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 1o6i_1_A DATA FIRST_RESID 3 DATA SEQUENCE TRKAVIGYYF IPTNQINNYT ETDTSVVPFP VSNITPAKAK QLTHINFSFL DATA SEQUENCE DINSNLECAW DPATNDAKAR DVVNRLTALK AHNPSLRIMF SIGGWYYSND DATA SEQUENCE LGVSHANYVN AVKTPASRAK FAQSCVRIMK DYGFDGVDID WEYPQAAEVD DATA SEQUENCE GFIAALQEIR TLLNQQTITD GRQALPYQLT IAGAGGAFFL SRYYSKLAQI DATA SEQUENCE VAPLDYINLM TYDLAGPWEK VTNHQAALFG DAAGPTFYNA LREANLGWSW DATA SEQUENCE EELTRAFPSP FSLTVDAAVQ QHLMMEGVPS AKIVMGVPFY GRAFKGVSGG DATA SEQUENCE NGGQYSSHST PGEDPYPSTD YWLVGCEECV RDKDPRIASY RQLEQMLQGN DATA SEQUENCE YGYQRLWNDK TKTPYLYHAQ NGLFVTYDDA ESFKYKAKYI KQQQLGGVMF DATA SEQUENCE WHLGQDNRNG DLLAALDRYF NAADYDDSQL DMGTGLRYTG VGPGNLPIMT DATA SEQUENCE APAYVPGTTY AQGALVSYQG YVWQTKWGYI TSAPGSDSAW LKVGRVA 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.706 174.700 0.010 0.000 1.109 3 T CA 0.000 62.113 62.100 0.022 0.000 1.349 3 T CB 0.000 68.884 68.868 0.026 0.000 0.612 4 R N 2.428 122.939 120.500 0.017 0.000 2.570 4 R HA 0.195 4.535 4.340 -0.000 0.000 0.277 4 R C -0.064 176.205 176.300 -0.052 0.000 1.039 4 R CA -0.230 55.870 56.100 0.000 0.000 1.065 4 R CB 0.409 30.726 30.300 0.029 0.000 0.964 4 R HN 0.270 nan 8.270 nan 0.000 0.428 5 K N 2.584 122.873 120.400 -0.185 0.000 2.350 5 K HA 0.141 4.461 4.320 -0.000 0.000 0.279 5 K C -0.243 176.222 176.600 -0.225 0.000 1.027 5 K CA -0.051 56.016 56.287 -0.368 0.000 0.969 5 K CB 1.379 33.234 32.500 -1.076 0.000 0.954 5 K HN 0.723 nan 8.250 nan 0.000 0.474 6 A N 2.112 124.816 122.820 -0.192 0.000 2.445 6 A HA 0.300 4.620 4.320 -0.000 0.000 0.242 6 A C -0.255 177.284 177.584 -0.074 0.000 1.075 6 A CA -0.379 51.574 52.037 -0.141 0.000 0.777 6 A CB 0.375 19.071 19.000 -0.506 0.000 1.013 6 A HN 0.364 nan 8.150 nan 0.000 0.493 7 V N 4.326 124.276 119.914 0.060 0.000 2.398 7 V HA 0.266 4.386 4.120 -0.000 0.000 0.282 7 V C -0.565 175.574 176.094 0.076 0.000 1.014 7 V CA 0.052 62.443 62.300 0.153 0.000 0.838 7 V CB 0.775 32.756 31.823 0.262 0.000 1.018 7 V HN 0.705 nan 8.190 nan 0.000 0.432 8 I N 4.199 124.719 120.570 -0.083 0.000 2.328 8 I HA 0.611 4.781 4.170 -0.000 0.000 0.287 8 I C 0.821 176.585 176.117 -0.589 0.000 1.012 8 I CA -0.191 60.961 61.300 -0.246 0.000 1.195 8 I CB 1.616 39.419 38.000 -0.329 0.000 1.350 8 I HN 0.640 nan 8.210 nan 0.000 0.464 9 G N 5.336 113.707 108.800 -0.715 0.000 2.416 9 G HA2 0.485 4.445 3.960 -0.000 0.000 0.324 9 G HA3 0.485 4.445 3.960 -0.000 0.000 0.324 9 G C -1.142 173.421 174.900 -0.562 0.000 1.194 9 G CA -0.343 43.952 45.100 -1.342 0.000 0.922 9 G HN 0.326 nan 8.290 nan 0.000 0.467 10 Y N 0.852 120.874 120.300 -0.464 0.000 2.425 10 Y HA 0.250 4.800 4.550 -0.000 0.000 0.331 10 Y C -0.139 175.683 175.900 -0.129 0.000 1.157 10 Y CA 0.375 58.367 58.100 -0.179 0.000 1.372 10 Y CB 1.076 39.500 38.460 -0.061 0.000 1.253 10 Y HN 0.530 nan 8.280 nan 0.000 0.536 11 Y N 6.004 126.282 120.300 -0.036 0.000 2.388 11 Y HA 0.373 4.923 4.550 -0.000 0.000 0.328 11 Y C -1.679 174.116 175.900 -0.174 0.000 0.963 11 Y CA -1.637 56.465 58.100 0.002 0.000 1.240 11 Y CB 0.301 38.847 38.460 0.142 0.000 1.118 11 Y HN 0.502 nan 8.280 nan 0.000 0.484 12 F N 8.357 127.782 119.950 -0.875 0.000 2.436 12 F HA 0.686 5.213 4.527 -0.000 0.000 0.340 12 F C -1.589 173.776 175.800 -0.725 0.000 1.113 12 F CA -1.455 56.061 58.000 -0.806 0.000 1.022 12 F CB 0.937 39.388 39.000 -0.915 0.000 1.128 12 F HN 0.457 nan 8.300 nan 0.000 0.466 13 I N 9.168 128.887 120.570 -1.417 0.000 2.534 13 I HA 0.410 4.580 4.170 -0.000 0.000 0.286 13 I C -2.549 173.049 176.117 -0.865 0.000 1.094 13 I CA -2.451 58.278 61.300 -0.952 0.000 1.055 13 I CB 2.094 39.965 38.000 -0.215 0.000 1.225 13 I HN 0.438 nan 8.210 nan 0.000 0.435 14 P HA 0.107 nan 4.420 nan 0.000 0.269 14 P C 0.504 177.776 177.300 -0.047 0.000 1.215 14 P CA -0.008 62.923 63.100 -0.282 0.000 0.780 14 P CB 0.855 32.491 31.700 -0.107 0.000 0.898 15 T N 1.819 116.419 114.554 0.076 0.000 2.685 15 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 15 T C 1.611 176.370 174.700 0.098 0.000 1.034 15 T CA 2.507 64.689 62.100 0.136 0.000 1.149 15 T CB -1.047 67.926 68.868 0.174 0.000 0.860 15 T HN 0.703 nan 8.240 nan 0.000 0.449 16 N N 1.126 119.868 118.700 0.070 0.000 2.289 16 N HA -0.137 4.603 4.740 -0.000 0.000 0.184 16 N C 1.799 177.345 175.510 0.060 0.000 1.016 16 N CA 1.126 54.212 53.050 0.059 0.000 0.872 16 N CB -0.383 38.131 38.487 0.045 0.000 0.973 16 N HN 0.435 nan 8.380 nan 0.000 0.433 17 Q N -0.219 119.613 119.800 0.053 0.000 2.187 17 Q HA 0.115 4.455 4.340 -0.000 0.000 0.199 17 Q C 1.928 178.031 176.000 0.171 0.000 0.957 17 Q CA 0.809 56.658 55.803 0.077 0.000 0.857 17 Q CB 0.013 28.774 28.738 0.039 0.000 0.929 17 Q HN 0.501 nan 8.270 nan 0.000 0.453 18 I N 1.173 121.846 120.570 0.173 0.000 2.163 18 I HA -0.276 3.893 4.170 -0.000 0.000 0.240 18 I C 1.514 177.725 176.117 0.156 0.000 1.081 18 I CA 0.824 62.248 61.300 0.206 0.000 1.353 18 I CB -0.215 37.892 38.000 0.179 0.000 1.054 18 I HN 0.187 nan 8.210 nan 0.000 0.407 19 N N 1.080 119.845 118.700 0.108 0.000 2.430 19 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 19 N C 0.649 176.207 175.510 0.080 0.000 1.032 19 N CA 1.001 54.096 53.050 0.075 0.000 0.893 19 N CB -0.333 38.190 38.487 0.060 0.000 0.957 19 N HN 0.436 nan 8.380 nan 0.000 0.442 20 N N -0.623 118.137 118.700 0.100 0.000 2.299 20 N HA -0.030 4.710 4.740 -0.000 0.000 0.246 20 N C -0.682 174.880 175.510 0.087 0.000 1.254 20 N CA -0.305 52.790 53.050 0.074 0.000 0.879 20 N CB 0.393 38.906 38.487 0.042 0.000 1.214 20 N HN 0.183 nan 8.380 nan 0.000 0.510 21 Y N 2.379 122.693 120.300 0.024 0.000 2.881 21 Y HA -0.051 4.499 4.550 -0.000 0.000 0.335 21 Y C 0.636 176.548 175.900 0.019 0.000 1.263 21 Y CA 1.082 59.200 58.100 0.030 0.000 1.572 21 Y CB 0.392 38.876 38.460 0.040 0.000 1.237 21 Y HN -0.099 nan 8.280 nan 0.000 0.568 22 T N 4.841 119.010 114.554 -0.642 0.000 2.889 22 T HA 0.311 4.661 4.350 -0.000 0.000 0.315 22 T C -0.330 174.028 174.700 -0.570 0.000 1.291 22 T CA -0.693 61.152 62.100 -0.424 0.000 1.028 22 T CB 1.257 70.012 68.868 -0.187 0.000 1.235 22 T HN 0.744 nan 8.240 nan 0.000 0.491 23 E N 1.395 121.410 120.200 -0.309 0.000 2.538 23 E HA 0.134 4.484 4.350 -0.000 0.000 0.207 23 E C 0.681 177.210 176.600 -0.119 0.000 1.002 23 E CA 0.123 56.395 56.400 -0.214 0.000 0.952 23 E CB 0.665 30.310 29.700 -0.090 0.000 1.031 23 E HN 0.753 nan 8.360 nan 0.000 0.476 24 T N -2.057 112.434 114.554 -0.105 0.000 3.084 24 T HA 0.129 4.479 4.350 -0.000 0.000 0.270 24 T C 0.122 174.789 174.700 -0.055 0.000 1.008 24 T CA -0.381 61.682 62.100 -0.062 0.000 0.900 24 T CB 0.402 69.244 68.868 -0.043 0.000 1.084 24 T HN -0.177 nan 8.240 nan 0.000 0.538 25 D N 2.123 122.479 120.400 -0.073 0.000 2.330 25 D HA 0.196 4.836 4.640 -0.000 0.000 0.249 25 D C 1.304 177.573 176.300 -0.052 0.000 1.306 25 D CA -0.110 53.858 54.000 -0.053 0.000 0.956 25 D CB 1.506 42.276 40.800 -0.049 0.000 1.261 25 D HN 0.187 nan 8.370 nan 0.000 0.544 26 T N -1.105 113.429 114.554 -0.032 0.000 2.996 26 T HA -0.191 4.159 4.350 -0.000 0.000 0.271 26 T C 1.676 176.370 174.700 -0.011 0.000 1.126 26 T CA 1.496 63.588 62.100 -0.014 0.000 1.103 26 T CB -0.130 68.742 68.868 0.008 0.000 0.870 26 T HN 0.214 nan 8.240 nan 0.000 0.528 27 S N 0.428 116.118 115.700 -0.017 0.000 2.461 27 S HA 0.040 4.510 4.470 -0.000 0.000 0.228 27 S C 1.810 176.401 174.600 -0.015 0.000 1.005 27 S CA 0.555 58.747 58.200 -0.013 0.000 0.942 27 S CB -0.445 62.748 63.200 -0.012 0.000 0.776 27 S HN 0.462 nan 8.310 nan 0.000 0.514 28 V N 0.342 120.240 119.914 -0.027 0.000 2.521 28 V HA 0.281 4.400 4.120 -0.000 0.000 0.239 28 V C 0.699 176.774 176.094 -0.031 0.000 1.053 28 V CA 0.335 62.618 62.300 -0.028 0.000 1.073 28 V CB -0.063 31.735 31.823 -0.042 0.000 0.746 28 V HN 0.381 nan 8.190 nan 0.000 0.476 29 V N 2.235 122.113 119.914 -0.060 0.000 2.305 29 V HA 0.297 4.417 4.120 -0.000 0.000 0.275 29 V C -1.787 174.299 176.094 -0.013 0.000 1.020 29 V CA -1.003 61.264 62.300 -0.055 0.000 0.811 29 V CB 1.278 32.994 31.823 -0.178 0.000 1.031 29 V HN 0.318 nan 8.190 nan 0.000 0.439 30 P HA -0.114 nan 4.420 nan 0.000 0.218 30 P C 0.183 177.601 177.300 0.196 0.000 1.148 30 P CA 1.255 64.409 63.100 0.091 0.000 0.822 30 P CB 0.178 31.932 31.700 0.091 0.000 0.784 31 F N 0.879 120.851 119.950 0.037 0.000 2.686 31 F HA 0.416 4.943 4.527 -0.000 0.000 0.365 31 F C -2.702 173.226 175.800 0.213 0.000 1.196 31 F CA -3.134 54.929 58.000 0.104 0.000 1.198 31 F CB 0.866 39.931 39.000 0.107 0.000 1.454 31 F HN -0.192 nan 8.300 nan 0.000 0.539 32 P HA 0.095 nan 4.420 nan 0.000 0.276 32 P C 0.937 178.168 177.300 -0.115 0.000 1.252 32 P CA -0.141 62.948 63.100 -0.018 0.000 0.802 32 P CB 1.971 33.577 31.700 -0.156 0.000 1.035 33 V N 1.042 121.020 119.914 0.107 0.000 2.568 33 V HA -0.231 3.889 4.120 -0.000 0.000 0.253 33 V C 2.565 178.598 176.094 -0.103 0.000 1.072 33 V CA 2.676 64.918 62.300 -0.096 0.000 1.084 33 V CB -1.748 30.012 31.823 -0.104 0.000 0.676 33 V HN 0.735 nan 8.190 nan 0.000 0.469 34 S N -0.068 115.599 115.700 -0.055 0.000 2.500 34 S HA -0.187 4.283 4.470 -0.000 0.000 0.239 34 S C 1.514 176.060 174.600 -0.091 0.000 0.989 34 S CA 1.553 59.723 58.200 -0.050 0.000 0.951 34 S CB -0.879 62.308 63.200 -0.022 0.000 0.759 34 S HN 0.761 nan 8.310 nan 0.000 0.523 35 N N 0.681 119.255 118.700 -0.210 0.000 2.494 35 N HA 0.190 4.930 4.740 -0.000 0.000 0.182 35 N C -0.251 175.237 175.510 -0.036 0.000 1.076 35 N CA 0.336 53.280 53.050 -0.177 0.000 0.908 35 N CB -0.044 38.199 38.487 -0.407 0.000 0.967 35 N HN 0.460 nan 8.380 nan 0.000 0.449 36 I N 2.380 122.924 120.570 -0.044 0.000 2.241 36 I HA 0.014 4.184 4.170 -0.000 0.000 0.294 36 I C 0.822 176.957 176.117 0.031 0.000 1.145 36 I CA -0.419 60.934 61.300 0.089 0.000 1.261 36 I CB 0.019 38.088 38.000 0.116 0.000 1.475 36 I HN 0.031 nan 8.210 nan 0.000 0.533 37 T N 2.481 117.048 114.554 0.022 0.000 2.748 37 T HA 0.154 4.504 4.350 -0.000 0.000 0.304 37 T C -1.652 172.978 174.700 -0.118 0.000 1.041 37 T CA -1.234 60.839 62.100 -0.047 0.000 1.033 37 T CB 0.718 69.570 68.868 -0.027 0.000 0.995 37 T HN 0.184 nan 8.240 nan 0.000 0.536 38 P HA -0.036 nan 4.420 nan 0.000 0.216 38 P C 1.679 178.880 177.300 -0.165 0.000 1.150 38 P CA 1.585 64.388 63.100 -0.494 0.000 0.837 38 P CB -0.340 30.948 31.700 -0.688 0.000 0.786 39 A N -0.296 122.471 122.820 -0.089 0.000 1.933 39 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 39 A C 2.056 179.653 177.584 0.022 0.000 1.175 39 A CA 1.663 53.689 52.037 -0.019 0.000 0.628 39 A CB -0.918 18.077 19.000 -0.009 0.000 0.814 39 A HN 0.159 nan 8.150 nan 0.000 0.444 40 K N -0.326 120.098 120.400 0.041 0.000 2.062 40 K HA 0.046 4.366 4.320 -0.000 0.000 0.205 40 K C 2.295 178.963 176.600 0.113 0.000 1.051 40 K CA 0.933 57.280 56.287 0.100 0.000 0.941 40 K CB -0.297 32.291 32.500 0.147 0.000 0.719 40 K HN 0.409 nan 8.250 nan 0.000 0.440 41 A N 2.055 124.925 122.820 0.084 0.000 1.940 41 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 41 A C 1.809 179.455 177.584 0.103 0.000 1.176 41 A CA 1.593 53.693 52.037 0.105 0.000 0.631 41 A CB -0.303 18.767 19.000 0.117 0.000 0.814 41 A HN 0.209 nan 8.150 nan 0.000 0.446 42 K N -0.630 119.819 120.400 0.082 0.000 2.288 42 K HA -0.092 4.228 4.320 -0.000 0.000 0.201 42 K C 1.943 178.595 176.600 0.086 0.000 1.048 42 K CA 1.289 57.624 56.287 0.080 0.000 0.956 42 K CB -0.088 32.450 32.500 0.062 0.000 0.746 42 K HN 0.616 nan 8.250 nan 0.000 0.461 43 Q N 0.177 120.035 119.800 0.096 0.000 2.424 43 Q HA 0.102 4.442 4.340 -0.000 0.000 0.204 43 Q C -0.019 176.073 176.000 0.153 0.000 0.933 43 Q CA 0.230 56.100 55.803 0.111 0.000 0.929 43 Q CB 0.276 29.073 28.738 0.098 0.000 1.037 43 Q HN 0.201 nan 8.270 nan 0.000 0.511 44 L N -0.040 121.275 121.223 0.154 0.000 2.343 44 L HA 0.216 4.555 4.340 -0.000 0.000 0.275 44 L C 1.213 178.156 176.870 0.121 0.000 1.056 44 L CA -0.207 54.732 54.840 0.165 0.000 0.804 44 L CB 1.524 43.681 42.059 0.163 0.000 1.203 44 L HN 0.063 nan 8.230 nan 0.000 0.440 45 T N -3.311 111.325 114.554 0.137 0.000 3.000 45 T HA 0.216 4.566 4.350 -0.000 0.000 0.248 45 T C 0.268 174.945 174.700 -0.037 0.000 1.034 45 T CA 0.173 62.320 62.100 0.079 0.000 1.060 45 T CB 0.056 69.026 68.868 0.170 0.000 0.983 45 T HN 0.528 nan 8.240 nan 0.000 0.482 46 H N -0.520 118.549 119.070 -0.003 0.000 2.894 46 H HA 0.682 5.238 4.556 -0.000 0.000 0.367 46 H C -1.348 173.947 175.328 -0.054 0.000 1.144 46 H CA -0.928 55.109 56.048 -0.018 0.000 1.180 46 H CB 1.630 31.357 29.762 -0.059 0.000 1.758 46 H HN 0.148 nan 8.280 nan 0.000 0.541 47 I N 2.200 122.834 120.570 0.106 0.000 2.389 47 I HA 0.239 4.409 4.170 -0.000 0.000 0.288 47 I C -0.536 175.594 176.117 0.022 0.000 0.999 47 I CA -0.803 60.526 61.300 0.048 0.000 1.129 47 I CB 1.295 39.368 38.000 0.121 0.000 1.288 47 I HN 0.479 nan 8.210 nan 0.000 0.444 48 N N 6.391 124.986 118.700 -0.176 0.000 2.500 48 N HA 0.216 4.956 4.740 -0.000 0.000 0.236 48 N C -0.688 174.770 175.510 -0.087 0.000 1.022 48 N CA -0.281 52.600 53.050 -0.282 0.000 0.935 48 N CB 0.614 38.547 38.487 -0.924 0.000 1.147 48 N HN 0.384 nan 8.380 nan 0.000 0.512 49 F N 2.472 122.415 119.950 -0.011 0.000 2.495 49 F HA 0.281 4.808 4.527 -0.000 0.000 0.365 49 F C 0.394 176.197 175.800 0.005 0.000 1.090 49 F CA -0.234 57.837 58.000 0.118 0.000 1.235 49 F CB 0.417 39.564 39.000 0.245 0.000 1.119 49 F HN 0.367 nan 8.300 nan 0.000 0.562 50 S N 5.099 120.348 115.700 -0.752 0.000 2.546 50 S HA 0.752 5.222 4.470 -0.000 0.000 0.274 50 S C -1.325 172.989 174.600 -0.476 0.000 1.121 50 S CA -0.816 56.997 58.200 -0.645 0.000 0.887 50 S CB 1.604 64.195 63.200 -1.015 0.000 1.094 50 S HN 0.486 nan 8.310 nan 0.000 0.474 51 F N 0.570 120.634 119.950 0.191 0.000 2.563 51 F HA 0.719 5.246 4.527 -0.000 0.000 0.316 51 F C -0.308 175.646 175.800 0.257 0.000 1.076 51 F CA -0.896 57.272 58.000 0.281 0.000 0.921 51 F CB 1.531 40.779 39.000 0.413 0.000 1.209 51 F HN 0.490 nan 8.300 nan 0.000 0.462 52 L N 1.086 122.533 121.223 0.373 0.000 2.397 52 L HA 0.582 4.922 4.340 -0.000 0.000 0.266 52 L C -0.500 176.476 176.870 0.177 0.000 1.040 52 L CA -0.214 54.701 54.840 0.125 0.000 0.800 52 L CB 1.143 43.136 42.059 -0.110 0.000 1.324 52 L HN 0.602 nan 8.230 nan 0.000 0.469 53 D N -1.378 118.997 120.400 -0.041 0.000 2.652 53 D HA 0.523 5.163 4.640 -0.000 0.000 0.285 53 D C -1.450 174.732 176.300 -0.198 0.000 1.173 53 D CA -0.359 53.509 54.000 -0.219 0.000 0.981 53 D CB 1.452 41.809 40.800 -0.739 0.000 1.440 53 D HN 0.251 nan 8.370 nan 0.000 0.485 54 I N 2.273 122.600 120.570 -0.406 0.000 2.362 54 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 54 I C -0.083 175.813 176.117 -0.368 0.000 0.994 54 I CA -0.881 60.133 61.300 -0.477 0.000 1.158 54 I CB 1.309 38.690 38.000 -1.032 0.000 1.315 54 I HN 0.335 nan 8.210 nan 0.000 0.451 55 N N 3.281 121.853 118.700 -0.214 0.000 2.448 55 N HA 0.129 4.869 4.740 -0.000 0.000 0.274 55 N C 0.853 176.274 175.510 -0.149 0.000 1.239 55 N CA -0.618 52.340 53.050 -0.153 0.000 0.982 55 N CB 0.361 38.804 38.487 -0.074 0.000 1.199 55 N HN 0.516 nan 8.380 nan 0.000 0.576 56 S N -1.775 113.863 115.700 -0.102 0.000 2.500 56 S HA -0.149 4.321 4.470 -0.000 0.000 0.239 56 S C 1.060 175.614 174.600 -0.078 0.000 0.989 56 S CA 0.842 58.986 58.200 -0.093 0.000 0.951 56 S CB -0.657 62.506 63.200 -0.062 0.000 0.759 56 S HN 0.681 nan 8.310 nan 0.000 0.523 57 N N 1.210 119.873 118.700 -0.063 0.000 2.398 57 N HA 0.213 4.953 4.740 -0.000 0.000 0.188 57 N C 0.258 175.739 175.510 -0.047 0.000 1.122 57 N CA 0.013 53.038 53.050 -0.041 0.000 0.866 57 N CB -0.664 37.813 38.487 -0.017 0.000 0.970 57 N HN 0.481 nan 8.380 nan 0.000 0.462 58 L N -0.518 120.648 121.223 -0.094 0.000 3.717 58 L HA -0.265 4.075 4.340 -0.000 0.000 0.411 58 L C -0.843 176.023 176.870 -0.007 0.000 1.233 58 L CA 0.668 55.434 54.840 -0.123 0.000 0.917 58 L CB -1.884 40.108 42.059 -0.111 0.000 1.902 58 L HN 0.321 nan 8.230 nan 0.000 0.894 59 E N -0.701 119.513 120.200 0.023 0.000 2.312 59 E HA 0.401 4.751 4.350 -0.000 0.000 0.267 59 E C -0.413 176.266 176.600 0.132 0.000 0.894 59 E CA -0.801 55.682 56.400 0.139 0.000 0.773 59 E CB 2.725 32.468 29.700 0.072 0.000 1.241 59 E HN 0.273 nan 8.360 nan 0.000 0.432 60 C N 1.957 121.375 119.300 0.196 0.000 2.653 60 C HA 0.652 5.112 4.460 -0.000 0.000 0.421 60 C C 0.031 175.057 174.990 0.060 0.000 1.334 60 C CA 0.260 59.368 59.018 0.150 0.000 1.885 60 C CB -1.474 26.345 27.740 0.130 0.000 2.645 60 C HN 0.669 nan 8.230 nan 0.000 0.601 61 A N 4.824 127.654 122.820 0.016 0.000 2.597 61 A HA 0.657 4.977 4.320 -0.000 0.000 0.292 61 A C -1.420 176.182 177.584 0.030 0.000 1.057 61 A CA -0.693 51.373 52.037 0.048 0.000 0.674 61 A CB 0.077 19.126 19.000 0.081 0.000 1.278 61 A HN 0.921 nan 8.150 nan 0.000 0.416 62 W N 0.762 122.059 121.300 -0.004 0.000 2.086 62 W HA 0.430 5.090 4.660 -0.000 0.000 0.355 62 W C 0.660 177.210 176.519 0.053 0.000 1.313 62 W CA 0.862 58.229 57.345 0.036 0.000 1.358 62 W CB 0.402 29.865 29.460 0.004 0.000 1.166 62 W HN 0.738 nan 8.180 nan 0.000 0.630 63 D N 1.401 122.043 120.400 0.402 0.000 2.488 63 D HA -0.006 4.634 4.640 -0.000 0.000 0.238 63 D C -1.463 174.979 176.300 0.236 0.000 1.138 63 D CA -1.268 52.909 54.000 0.296 0.000 0.873 63 D CB 1.238 42.263 40.800 0.374 0.000 1.183 63 D HN -0.057 nan 8.370 nan 0.000 0.458 64 P HA -0.056 nan 4.420 nan 0.000 0.219 64 P C 0.685 178.049 177.300 0.108 0.000 1.146 64 P CA 1.436 64.609 63.100 0.121 0.000 0.808 64 P CB 0.108 31.862 31.700 0.090 0.000 0.779 65 A N -1.337 121.558 122.820 0.126 0.000 2.206 65 A HA 0.018 4.338 4.320 -0.000 0.000 0.211 65 A C 0.864 178.504 177.584 0.093 0.000 1.158 65 A CA 0.667 52.766 52.037 0.102 0.000 0.761 65 A CB -1.313 17.755 19.000 0.112 0.000 0.801 65 A HN 0.144 nan 8.150 nan 0.000 0.473 66 T N 1.757 116.378 114.554 0.113 0.000 2.870 66 T HA 0.075 4.425 4.350 -0.000 0.000 0.300 66 T C 0.264 174.953 174.700 -0.018 0.000 0.989 66 T CA -0.430 61.713 62.100 0.071 0.000 1.139 66 T CB 0.387 69.315 68.868 0.101 0.000 0.920 66 T HN 0.395 nan 8.240 nan 0.000 0.537 67 N N 2.582 121.262 118.700 -0.034 0.000 2.415 67 N HA -0.025 4.715 4.740 -0.000 0.000 0.250 67 N C 0.724 176.148 175.510 -0.144 0.000 1.127 67 N CA -0.149 52.865 53.050 -0.060 0.000 0.945 67 N CB 0.889 39.358 38.487 -0.030 0.000 1.196 67 N HN 0.615 nan 8.380 nan 0.000 0.499 68 D N 3.859 124.155 120.400 -0.172 0.000 2.158 68 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 68 D C 1.612 177.785 176.300 -0.212 0.000 0.995 68 D CA 1.747 55.595 54.000 -0.254 0.000 0.846 68 D CB 0.261 40.957 40.800 -0.173 0.000 0.941 68 D HN 0.658 nan 8.370 nan 0.000 0.456 69 A N 0.011 122.745 122.820 -0.142 0.000 1.969 69 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 69 A C 2.121 179.628 177.584 -0.128 0.000 1.169 69 A CA 1.024 52.987 52.037 -0.124 0.000 0.635 69 A CB -0.263 18.685 19.000 -0.087 0.000 0.810 69 A HN 0.049 nan 8.150 nan 0.000 0.445 70 K N -0.078 120.252 120.400 -0.116 0.000 2.103 70 K HA 0.035 4.355 4.320 -0.000 0.000 0.204 70 K C 2.291 178.792 176.600 -0.166 0.000 1.052 70 K CA 1.155 57.383 56.287 -0.098 0.000 0.945 70 K CB -0.614 31.867 32.500 -0.031 0.000 0.722 70 K HN 0.427 nan 8.250 nan 0.000 0.443 71 A N 1.755 124.428 122.820 -0.246 0.000 1.858 71 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 71 A C 2.234 179.633 177.584 -0.309 0.000 1.190 71 A CA 1.467 53.271 52.037 -0.389 0.000 0.617 71 A CB -0.477 17.931 19.000 -0.988 0.000 0.827 71 A HN 0.252 nan 8.150 nan 0.000 0.443 72 R N -0.705 119.652 120.500 -0.237 0.000 2.105 72 R HA -0.190 4.150 4.340 -0.000 0.000 0.239 72 R C 1.993 178.187 176.300 -0.178 0.000 1.135 72 R CA 1.703 57.720 56.100 -0.138 0.000 0.967 72 R CB -0.450 29.759 30.300 -0.152 0.000 0.861 72 R HN 0.722 nan 8.270 nan 0.000 0.442 73 D N -0.056 120.233 120.400 -0.184 0.000 2.144 73 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 73 D C 1.692 177.836 176.300 -0.260 0.000 0.978 73 D CA 0.784 54.672 54.000 -0.188 0.000 0.833 73 D CB 0.249 40.958 40.800 -0.152 0.000 0.961 73 D HN -0.049 nan 8.370 nan 0.000 0.470 74 V N -0.141 119.576 119.914 -0.328 0.000 2.307 74 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 74 V C 2.590 178.528 176.094 -0.261 0.000 1.045 74 V CA 1.252 63.309 62.300 -0.405 0.000 1.024 74 V CB -0.353 31.287 31.823 -0.305 0.000 0.651 74 V HN 0.166 nan 8.190 nan 0.000 0.449 75 V N 0.816 120.575 119.914 -0.258 0.000 2.343 75 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 75 V C 2.314 178.254 176.094 -0.256 0.000 1.051 75 V CA 2.074 64.184 62.300 -0.318 0.000 1.036 75 V CB -0.925 30.620 31.823 -0.464 0.000 0.654 75 V HN 0.568 nan 8.190 nan 0.000 0.451 76 N N 0.307 118.875 118.700 -0.219 0.000 2.223 76 N HA -0.139 4.601 4.740 -0.000 0.000 0.185 76 N C 1.954 177.382 175.510 -0.136 0.000 1.016 76 N CA 1.203 54.150 53.050 -0.172 0.000 0.863 76 N CB -0.353 38.044 38.487 -0.149 0.000 0.983 76 N HN 0.497 nan 8.380 nan 0.000 0.429 77 R N 0.298 120.710 120.500 -0.146 0.000 2.092 77 R HA 0.073 4.413 4.340 -0.000 0.000 0.231 77 R C 2.187 178.430 176.300 -0.094 0.000 1.119 77 R CA 0.644 56.679 56.100 -0.108 0.000 0.970 77 R CB -0.220 30.008 30.300 -0.120 0.000 0.864 77 R HN 0.194 nan 8.270 nan 0.000 0.440 78 L N -0.006 121.143 121.223 -0.123 0.000 2.027 78 L HA -0.141 4.199 4.340 -0.000 0.000 0.206 78 L C 2.590 179.436 176.870 -0.040 0.000 1.074 78 L CA 1.698 56.487 54.840 -0.085 0.000 0.745 78 L CB -0.718 41.299 42.059 -0.070 0.000 0.898 78 L HN 0.357 nan 8.230 nan 0.000 0.433 79 T N -2.688 111.826 114.554 -0.066 0.000 2.962 79 T HA -0.085 4.265 4.350 -0.000 0.000 0.270 79 T C 1.827 176.499 174.700 -0.048 0.000 1.088 79 T CA 0.807 62.879 62.100 -0.047 0.000 1.127 79 T CB -0.318 68.501 68.868 -0.080 0.000 0.883 79 T HN 0.304 nan 8.240 nan 0.000 0.493 80 A N 1.625 124.410 122.820 -0.058 0.000 2.019 80 A HA 0.209 4.529 4.320 -0.000 0.000 0.219 80 A C 2.309 179.856 177.584 -0.062 0.000 1.164 80 A CA 0.907 52.905 52.037 -0.064 0.000 0.644 80 A CB -0.845 18.123 19.000 -0.054 0.000 0.805 80 A HN 0.581 nan 8.150 nan 0.000 0.449 81 L N -0.930 120.296 121.223 0.005 0.000 2.265 81 L HA -0.167 4.173 4.340 -0.000 0.000 0.215 81 L C 2.232 179.128 176.870 0.043 0.000 1.117 81 L CA 1.223 56.125 54.840 0.103 0.000 0.782 81 L CB -0.396 41.739 42.059 0.126 0.000 0.914 81 L HN 0.330 nan 8.230 nan 0.000 0.441 82 K N 0.338 120.729 120.400 -0.015 0.000 2.280 82 K HA -0.119 4.201 4.320 -0.000 0.000 0.202 82 K C 2.189 178.743 176.600 -0.076 0.000 1.047 82 K CA 1.015 57.288 56.287 -0.023 0.000 0.942 82 K CB -0.195 32.291 32.500 -0.023 0.000 0.739 82 K HN 0.308 nan 8.250 nan 0.000 0.457 83 A N 0.945 123.655 122.820 -0.184 0.000 2.019 83 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 83 A C 1.375 178.792 177.584 -0.278 0.000 1.164 83 A CA 1.288 53.167 52.037 -0.264 0.000 0.644 83 A CB -0.449 18.322 19.000 -0.382 0.000 0.805 83 A HN 0.305 nan 8.150 nan 0.000 0.449 84 H N -1.799 117.274 119.070 0.005 0.000 2.563 84 H HA 0.110 4.666 4.556 -0.000 0.000 0.264 84 H C -0.151 175.186 175.328 0.014 0.000 0.957 84 H CA 0.794 56.849 56.048 0.011 0.000 1.173 84 H CB 0.258 30.030 29.762 0.017 0.000 1.420 84 H HN 0.526 nan 8.280 nan 0.000 0.551 85 N N 0.710 119.468 118.700 0.096 0.000 2.699 85 N HA 0.058 4.798 4.740 -0.000 0.000 0.271 85 N C -2.372 173.153 175.510 0.025 0.000 1.216 85 N CA -1.428 51.662 53.050 0.066 0.000 0.844 85 N CB 1.631 40.167 38.487 0.082 0.000 1.462 85 N HN -0.158 nan 8.380 nan 0.000 0.555 86 P HA -0.004 nan 4.420 nan 0.000 0.231 86 P C 0.351 177.642 177.300 -0.015 0.000 1.158 86 P CA 0.708 63.803 63.100 -0.007 0.000 0.763 86 P CB 0.472 32.169 31.700 -0.006 0.000 0.805 87 S N -0.887 114.806 115.700 -0.010 0.000 2.524 87 S HA 0.102 4.572 4.470 -0.000 0.000 0.215 87 S C 0.736 175.298 174.600 -0.064 0.000 0.986 87 S CA -0.448 57.734 58.200 -0.029 0.000 0.911 87 S CB -0.377 62.818 63.200 -0.009 0.000 0.805 87 S HN 0.075 nan 8.310 nan 0.000 0.501 88 L N 3.334 124.534 121.223 -0.038 0.000 2.453 88 L HA 0.256 4.596 4.340 -0.000 0.000 0.272 88 L C -0.014 176.814 176.870 -0.069 0.000 1.182 88 L CA 0.567 55.377 54.840 -0.050 0.000 0.858 88 L CB 0.236 42.303 42.059 0.012 0.000 1.120 88 L HN 0.016 nan 8.230 nan 0.000 0.474 89 R N 5.736 126.162 120.500 -0.123 0.000 2.599 89 R HA 0.543 4.883 4.340 -0.000 0.000 0.295 89 R C -1.172 175.171 176.300 0.070 0.000 0.963 89 R CA -0.951 55.121 56.100 -0.045 0.000 0.883 89 R CB 1.672 31.893 30.300 -0.131 0.000 1.171 89 R HN 0.484 nan 8.270 nan 0.000 0.450 90 I N 4.702 125.370 120.570 0.163 0.000 2.307 90 I HA 0.247 4.417 4.170 -0.000 0.000 0.287 90 I C 0.273 176.611 176.117 0.368 0.000 1.054 90 I CA -0.327 61.128 61.300 0.259 0.000 1.218 90 I CB 0.715 38.885 38.000 0.284 0.000 1.398 90 I HN 0.504 nan 8.210 nan 0.000 0.475 91 M N 6.349 126.092 119.600 0.239 0.000 2.267 91 M HA 0.461 4.941 4.480 -0.000 0.000 0.303 91 M C -0.285 175.999 176.300 -0.026 0.000 1.164 91 M CA -0.444 54.929 55.300 0.122 0.000 1.060 91 M CB 1.162 33.776 32.600 0.024 0.000 1.455 91 M HN 0.383 nan 8.290 nan 0.000 0.483 92 F N -1.275 118.407 119.950 -0.446 0.000 2.551 92 F HA 0.750 5.277 4.527 -0.000 0.000 0.316 92 F C -0.666 174.993 175.800 -0.235 0.000 1.089 92 F CA -0.994 56.645 58.000 -0.601 0.000 0.915 92 F CB 1.020 39.176 39.000 -1.407 0.000 1.186 92 F HN 0.387 nan 8.300 nan 0.000 0.456 93 S N 3.745 119.413 115.700 -0.054 0.000 2.451 93 S HA 0.669 5.139 4.470 -0.000 0.000 0.301 93 S C -0.448 174.328 174.600 0.292 0.000 1.116 93 S CA -0.593 57.653 58.200 0.078 0.000 1.093 93 S CB 0.955 64.327 63.200 0.287 0.000 1.017 93 S HN 0.565 nan 8.310 nan 0.000 0.482 94 I N 3.012 123.732 120.570 0.250 0.000 2.354 94 I HA 0.652 4.821 4.170 -0.000 0.000 0.292 94 I C 0.941 177.292 176.117 0.390 0.000 0.989 94 I CA -0.016 61.485 61.300 0.335 0.000 1.188 94 I CB 1.038 39.203 38.000 0.275 0.000 1.342 94 I HN 0.906 nan 8.210 nan 0.000 0.457 95 G N 4.231 113.263 108.800 0.386 0.000 2.659 95 G HA2 0.323 4.283 3.960 -0.000 0.000 0.214 95 G HA3 0.323 4.283 3.960 -0.000 0.000 0.214 95 G C 0.006 174.716 174.900 -0.317 0.000 1.191 95 G CA 0.005 45.184 45.100 0.133 0.000 1.141 95 G HN 1.579 nan 8.290 nan 0.000 0.581 96 G N -2.046 106.434 108.800 -0.534 0.000 2.662 96 G HA2 0.115 4.075 3.960 -0.000 0.000 0.686 96 G HA3 0.115 4.075 3.960 -0.000 0.000 0.686 96 G C 0.700 175.251 174.900 -0.581 0.000 1.271 96 G CA 0.471 44.980 45.100 -0.985 0.000 0.816 96 G HN 1.958 nan 8.290 nan 0.000 0.608 97 W N 0.547 121.460 121.300 -0.646 0.000 2.333 97 W HA -0.213 4.447 4.660 -0.000 0.000 0.316 97 W C 2.083 178.374 176.519 -0.380 0.000 1.215 97 W CA 2.664 59.715 57.345 -0.490 0.000 1.278 97 W CB -0.354 28.850 29.460 -0.426 0.000 1.154 97 W HN 0.722 nan 8.180 nan 0.000 0.486 98 Y N 0.601 120.658 120.300 -0.404 0.000 2.069 98 Y HA -0.364 4.186 4.550 -0.000 0.000 0.278 98 Y C 2.455 178.103 175.900 -0.420 0.000 1.175 98 Y CA 2.830 60.674 58.100 -0.426 0.000 1.134 98 Y CB -1.359 36.835 38.460 -0.443 0.000 0.965 98 Y HN -0.062 nan 8.280 nan 0.000 0.498 99 Y N -0.604 119.443 120.300 -0.421 0.000 2.220 99 Y HA -0.090 4.460 4.550 -0.000 0.000 0.291 99 Y C 2.887 178.449 175.900 -0.564 0.000 1.129 99 Y CA 1.353 59.186 58.100 -0.444 0.000 1.161 99 Y CB -0.955 37.403 38.460 -0.170 0.000 0.997 99 Y HN 0.298 nan 8.280 nan 0.000 0.522 100 S N -0.203 115.148 115.700 -0.582 0.000 2.524 100 S HA 0.074 4.543 4.470 -0.000 0.000 0.215 100 S C 0.407 174.618 174.600 -0.647 0.000 0.986 100 S CA -0.342 57.342 58.200 -0.861 0.000 0.911 100 S CB -1.190 61.239 63.200 -1.285 0.000 0.805 100 S HN 0.499 nan 8.310 nan 0.000 0.501 101 N N 1.674 119.828 118.700 -0.911 0.000 2.340 101 N HA 0.062 4.802 4.740 -0.000 0.000 0.236 101 N C 0.232 175.259 175.510 -0.806 0.000 1.296 101 N CA 0.119 52.492 53.050 -1.127 0.000 0.896 101 N CB 0.159 37.221 38.487 -2.375 0.000 1.127 101 N HN -0.166 nan 8.380 nan 0.000 0.442 102 D N 0.015 119.966 120.400 -0.748 0.000 2.172 102 D HA -0.150 4.490 4.640 -0.000 0.000 0.196 102 D C 1.044 176.945 176.300 -0.665 0.000 0.999 102 D CA 1.440 54.899 54.000 -0.902 0.000 0.856 102 D CB -0.121 40.420 40.800 -0.431 0.000 0.934 102 D HN 0.542 nan 8.370 nan 0.000 0.453 103 L N -0.347 120.594 121.223 -0.471 0.000 2.769 103 L HA 0.322 4.662 4.340 -0.000 0.000 0.240 103 L C 1.250 177.926 176.870 -0.323 0.000 1.163 103 L CA -0.509 54.149 54.840 -0.304 0.000 0.962 103 L CB 0.435 42.379 42.059 -0.192 0.000 1.258 103 L HN -0.132 nan 8.230 nan 0.000 0.513 104 G N 0.075 108.609 108.800 -0.443 0.000 2.572 104 G HA2 0.299 4.259 3.960 -0.000 0.000 0.261 104 G HA3 0.299 4.259 3.960 -0.000 0.000 0.261 104 G C 1.240 175.945 174.900 -0.324 0.000 1.197 104 G CA -0.009 44.806 45.100 -0.475 0.000 0.870 104 G HN -0.000 nan 8.290 nan 0.000 0.548 105 V N -1.065 118.619 119.914 -0.383 0.000 2.453 105 V HA -0.121 3.999 4.120 -0.000 0.000 0.252 105 V C 1.871 177.897 176.094 -0.114 0.000 1.068 105 V CA 2.325 64.496 62.300 -0.214 0.000 1.070 105 V CB -0.546 31.160 31.823 -0.196 0.000 0.664 105 V HN 0.447 nan 8.190 nan 0.000 0.461 106 S N -1.426 114.216 115.700 -0.097 0.000 2.593 106 S HA 0.194 4.664 4.470 -0.000 0.000 0.236 106 S C 1.465 176.058 174.600 -0.011 0.000 0.991 106 S CA 0.127 58.301 58.200 -0.044 0.000 0.963 106 S CB -0.559 62.633 63.200 -0.013 0.000 0.865 106 S HN 0.801 nan 8.310 nan 0.000 0.488 107 H N 2.488 121.447 119.070 -0.186 0.000 2.321 107 H HA -0.203 4.353 4.556 -0.000 0.000 0.295 107 H C 2.176 177.409 175.328 -0.158 0.000 1.102 107 H CA 1.899 57.810 56.048 -0.229 0.000 1.266 107 H CB -0.117 29.500 29.762 -0.240 0.000 1.363 107 H HN 0.478 nan 8.280 nan 0.000 0.492 108 A N 0.798 123.490 122.820 -0.213 0.000 1.978 108 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 108 A C 2.240 179.645 177.584 -0.298 0.000 1.170 108 A CA 1.708 53.594 52.037 -0.251 0.000 0.636 108 A CB -0.727 18.203 19.000 -0.116 0.000 0.810 108 A HN 0.703 nan 8.150 nan 0.000 0.448 109 N N -1.733 116.795 118.700 -0.287 0.000 2.166 109 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 109 N C 1.502 176.645 175.510 -0.611 0.000 1.019 109 N CA 1.540 54.359 53.050 -0.386 0.000 0.856 109 N CB -0.308 37.941 38.487 -0.396 0.000 0.993 109 N HN 0.624 nan 8.380 nan 0.000 0.426 110 Y N 0.944 120.773 120.300 -0.784 0.000 2.184 110 Y HA -0.095 4.455 4.550 -0.000 0.000 0.290 110 Y C 2.451 177.751 175.900 -1.000 0.000 1.129 110 Y CA 0.543 57.933 58.100 -1.183 0.000 1.144 110 Y CB -0.701 36.538 38.460 -2.035 0.000 0.995 110 Y HN -0.148 nan 8.280 nan 0.000 0.513 111 V N 0.619 120.163 119.914 -0.616 0.000 2.332 111 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 111 V C 1.892 177.896 176.094 -0.150 0.000 1.055 111 V CA 2.110 64.283 62.300 -0.212 0.000 1.038 111 V CB -0.550 31.153 31.823 -0.200 0.000 0.651 111 V HN 0.472 nan 8.190 nan 0.000 0.450 112 N N 0.325 118.891 118.700 -0.224 0.000 2.270 112 N HA -0.023 4.717 4.740 -0.000 0.000 0.181 112 N C 1.874 177.283 175.510 -0.168 0.000 1.016 112 N CA 1.419 54.374 53.050 -0.158 0.000 0.870 112 N CB -0.404 37.991 38.487 -0.153 0.000 0.979 112 N HN 0.475 nan 8.380 nan 0.000 0.431 113 A N 0.740 123.385 122.820 -0.293 0.000 1.972 113 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 113 A C 2.077 179.561 177.584 -0.167 0.000 1.169 113 A CA 1.660 53.511 52.037 -0.310 0.000 0.635 113 A CB -0.479 18.108 19.000 -0.688 0.000 0.810 113 A HN 0.221 nan 8.150 nan 0.000 0.446 114 V N -3.866 115.989 119.914 -0.098 0.000 3.647 114 V HA 0.163 4.282 4.120 -0.000 0.000 0.279 114 V C 1.540 177.678 176.094 0.073 0.000 1.314 114 V CA 0.764 63.099 62.300 0.059 0.000 1.125 114 V CB -0.367 31.589 31.823 0.222 0.000 0.907 114 V HN 0.369 nan 8.190 nan 0.000 0.434 115 K N 1.869 122.286 120.400 0.029 0.000 2.032 115 K HA -0.047 4.273 4.320 -0.000 0.000 0.209 115 K C 1.166 177.788 176.600 0.036 0.000 1.048 115 K CA 1.974 58.280 56.287 0.033 0.000 0.927 115 K CB -0.155 32.348 32.500 0.005 0.000 0.712 115 K HN 0.792 nan 8.250 nan 0.000 0.441 116 T N -3.664 110.908 114.554 0.031 0.000 2.887 116 T HA 0.267 4.617 4.350 -0.000 0.000 0.292 116 T C -2.511 172.212 174.700 0.038 0.000 1.087 116 T CA -1.994 60.124 62.100 0.031 0.000 1.009 116 T CB 2.004 70.885 68.868 0.021 0.000 1.203 116 T HN -0.282 nan 8.240 nan 0.000 0.518 117 P HA -0.028 nan 4.420 nan 0.000 0.216 117 P C 1.542 178.863 177.300 0.035 0.000 1.150 117 P CA 1.599 64.719 63.100 0.034 0.000 0.837 117 P CB -0.198 31.518 31.700 0.027 0.000 0.786 118 A N -0.163 122.674 122.820 0.028 0.000 1.897 118 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 118 A C 2.374 179.979 177.584 0.036 0.000 1.181 118 A CA 2.042 54.095 52.037 0.027 0.000 0.620 118 A CB -1.538 17.473 19.000 0.018 0.000 0.821 118 A HN 0.318 nan 8.150 nan 0.000 0.443 119 S N 0.007 115.728 115.700 0.035 0.000 2.383 119 S HA -0.162 4.308 4.470 -0.000 0.000 0.227 119 S C 2.010 176.664 174.600 0.090 0.000 1.026 119 S CA 1.147 59.371 58.200 0.040 0.000 0.981 119 S CB -0.458 62.747 63.200 0.008 0.000 0.818 119 S HN 0.593 nan 8.310 nan 0.000 0.472 120 R N 1.405 121.962 120.500 0.094 0.000 2.075 120 R HA 0.126 4.466 4.340 -0.000 0.000 0.232 120 R C 2.801 179.178 176.300 0.129 0.000 1.126 120 R CA 1.211 57.400 56.100 0.149 0.000 0.963 120 R CB -0.782 29.586 30.300 0.114 0.000 0.858 120 R HN 0.571 nan 8.270 nan 0.000 0.435 121 A N 1.622 124.485 122.820 0.072 0.000 1.902 121 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 121 A C 2.086 179.691 177.584 0.034 0.000 1.181 121 A CA 1.567 53.627 52.037 0.039 0.000 0.623 121 A CB -0.354 18.661 19.000 0.025 0.000 0.818 121 A HN 0.233 nan 8.150 nan 0.000 0.443 122 K N -1.619 118.814 120.400 0.055 0.000 2.097 122 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 122 K C 1.787 178.431 176.600 0.074 0.000 1.050 122 K CA 1.602 57.919 56.287 0.051 0.000 0.938 122 K CB -0.324 32.207 32.500 0.052 0.000 0.718 122 K HN 0.393 nan 8.250 nan 0.000 0.442 123 F N 1.313 121.247 119.950 -0.026 0.000 2.113 123 F HA -0.024 4.503 4.527 -0.000 0.000 0.297 123 F C 1.983 177.775 175.800 -0.013 0.000 1.103 123 F CA 1.313 59.292 58.000 -0.035 0.000 1.248 123 F CB -0.804 38.165 39.000 -0.051 0.000 0.999 123 F HN 0.073 nan 8.300 nan 0.000 0.475 124 A N 0.475 123.129 122.820 -0.276 0.000 1.883 124 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 124 A C 2.178 179.612 177.584 -0.250 0.000 1.186 124 A CA 1.846 53.678 52.037 -0.341 0.000 0.624 124 A CB -0.927 17.999 19.000 -0.123 0.000 0.822 124 A HN 0.551 nan 8.150 nan 0.000 0.444 125 Q N 0.172 119.890 119.800 -0.136 0.000 2.135 125 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 125 Q C 2.560 178.503 176.000 -0.094 0.000 0.981 125 Q CA 1.995 57.745 55.803 -0.089 0.000 0.856 125 Q CB -0.620 28.093 28.738 -0.043 0.000 0.902 125 Q HN 0.870 nan 8.270 nan 0.000 0.425 126 S N -0.455 115.178 115.700 -0.112 0.000 2.402 126 S HA -0.122 4.348 4.470 -0.000 0.000 0.229 126 S C 2.313 176.862 174.600 -0.085 0.000 1.021 126 S CA 1.130 59.288 58.200 -0.069 0.000 0.974 126 S CB -0.632 62.554 63.200 -0.023 0.000 0.800 126 S HN 0.352 nan 8.310 nan 0.000 0.484 127 C N 1.204 120.377 119.300 -0.211 0.000 2.446 127 C HA 0.063 4.523 4.460 -0.000 0.000 0.277 127 C C 2.791 177.812 174.990 0.052 0.000 1.275 127 C CA 0.655 59.629 59.018 -0.073 0.000 1.727 127 C CB -1.334 26.238 27.740 -0.279 0.000 2.010 127 C HN 0.546 nan 8.230 nan 0.000 0.486 128 V N 0.825 120.711 119.914 -0.047 0.000 2.453 128 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 128 V C 2.587 178.666 176.094 -0.025 0.000 1.048 128 V CA 1.892 64.166 62.300 -0.043 0.000 1.049 128 V CB -0.778 30.995 31.823 -0.083 0.000 0.672 128 V HN 0.506 nan 8.190 nan 0.000 0.457 129 R N 0.068 120.558 120.500 -0.017 0.000 2.081 129 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 129 R C 2.271 178.598 176.300 0.044 0.000 1.131 129 R CA 1.612 57.712 56.100 0.000 0.000 0.960 129 R CB -0.149 30.154 30.300 0.005 0.000 0.856 129 R HN 0.330 nan 8.270 nan 0.000 0.436 130 I N 0.921 121.528 120.570 0.061 0.000 2.226 130 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 130 I C 2.503 178.681 176.117 0.102 0.000 1.100 130 I CA 1.324 62.683 61.300 0.099 0.000 1.374 130 I CB -0.877 37.032 38.000 -0.151 0.000 1.057 130 I HN 0.427 nan 8.210 nan 0.000 0.413 131 M N 0.503 120.148 119.600 0.075 0.000 2.065 131 M HA -0.257 4.223 4.480 -0.000 0.000 0.259 131 M C 2.242 178.616 176.300 0.122 0.000 1.069 131 M CA 1.890 57.325 55.300 0.224 0.000 1.110 131 M CB -0.118 32.618 32.600 0.228 0.000 1.328 131 M HN 0.003 nan 8.290 nan 0.000 0.405 132 K N 0.200 120.604 120.400 0.008 0.000 2.057 132 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 132 K C 1.704 178.271 176.600 -0.054 0.000 1.050 132 K CA 1.544 57.808 56.287 -0.040 0.000 0.935 132 K CB -0.938 31.522 32.500 -0.066 0.000 0.715 132 K HN 0.424 nan 8.250 nan 0.000 0.439 133 D N -0.103 120.262 120.400 -0.057 0.000 2.117 133 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 133 D C 1.458 177.516 176.300 -0.404 0.000 0.987 133 D CA 1.274 55.145 54.000 -0.216 0.000 0.829 133 D CB 0.028 40.694 40.800 -0.223 0.000 0.961 133 D HN 0.214 nan 8.370 nan 0.000 0.460 134 Y N -1.099 119.119 120.300 -0.138 0.000 2.500 134 Y HA 0.308 4.858 4.550 -0.000 0.000 0.270 134 Y C 1.822 177.444 175.900 -0.464 0.000 1.134 134 Y CA 0.512 58.428 58.100 -0.306 0.000 1.293 134 Y CB 0.655 38.913 38.460 -0.336 0.000 1.063 134 Y HN 0.095 nan 8.280 nan 0.000 0.534 135 G N -0.527 108.158 108.800 -0.192 0.000 2.130 135 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.216 135 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.216 135 G C -0.125 174.716 174.900 -0.099 0.000 0.999 135 G CA -0.518 44.490 45.100 -0.153 0.000 0.686 135 G HN 0.125 nan 8.290 nan 0.000 0.515 136 F N 0.474 120.482 119.950 0.096 0.000 2.399 136 F HA 0.463 4.990 4.527 -0.000 0.000 0.313 136 F C 1.360 177.285 175.800 0.208 0.000 1.202 136 F CA -0.283 57.814 58.000 0.162 0.000 1.192 136 F CB 0.611 39.775 39.000 0.272 0.000 1.256 136 F HN -0.028 nan 8.300 nan 0.000 0.558 137 D N 0.008 120.693 120.400 0.475 0.000 2.398 137 D HA 0.298 4.938 4.640 -0.000 0.000 0.210 137 D C 0.583 177.137 176.300 0.423 0.000 1.094 137 D CA 0.422 54.680 54.000 0.431 0.000 0.839 137 D CB 0.820 41.780 40.800 0.267 0.000 0.963 137 D HN 0.618 nan 8.370 nan 0.000 0.506 138 G N -0.378 108.618 108.800 0.326 0.000 2.356 138 G HA2 0.357 4.317 3.960 -0.000 0.000 0.294 138 G HA3 0.357 4.317 3.960 -0.000 0.000 0.294 138 G C -1.831 173.057 174.900 -0.020 0.000 1.423 138 G CA -0.564 44.645 45.100 0.183 0.000 0.806 138 G HN -0.075 nan 8.290 nan 0.000 0.527 139 V N 0.621 120.427 119.914 -0.180 0.000 2.495 139 V HA 0.627 4.747 4.120 -0.000 0.000 0.298 139 V C -0.917 174.959 176.094 -0.362 0.000 1.031 139 V CA -0.430 61.542 62.300 -0.547 0.000 0.871 139 V CB 1.706 33.309 31.823 -0.367 0.000 0.988 139 V HN 0.878 nan 8.190 nan 0.000 0.432 140 D N 3.952 124.087 120.400 -0.441 0.000 2.502 140 D HA 0.596 5.236 4.640 -0.000 0.000 0.249 140 D C -0.912 175.355 176.300 -0.055 0.000 1.092 140 D CA -0.282 53.624 54.000 -0.156 0.000 0.839 140 D CB 1.443 42.181 40.800 -0.102 0.000 1.264 140 D HN 0.442 nan 8.370 nan 0.000 0.511 141 I N 2.845 123.467 120.570 0.086 0.000 2.378 141 I HA 0.291 4.461 4.170 -0.000 0.000 0.291 141 I C -0.666 175.617 176.117 0.277 0.000 0.992 141 I CA -0.753 60.681 61.300 0.224 0.000 1.154 141 I CB 1.848 40.040 38.000 0.320 0.000 1.315 141 I HN 0.300 nan 8.210 nan 0.000 0.448 142 D N 5.992 126.555 120.400 0.273 0.000 2.863 142 D HA 0.086 4.726 4.640 -0.000 0.000 0.323 142 D C -0.803 175.521 176.300 0.039 0.000 1.286 142 D CA -0.213 53.891 54.000 0.174 0.000 0.921 142 D CB 0.418 41.344 40.800 0.210 0.000 1.024 142 D HN 0.326 nan 8.370 nan 0.000 0.505 143 W N 2.013 123.214 121.300 -0.165 0.000 2.345 143 W HA 0.263 4.923 4.660 -0.000 0.000 0.308 143 W C -0.334 175.781 176.519 -0.673 0.000 1.273 143 W CA -0.835 56.251 57.345 -0.431 0.000 1.243 143 W CB 0.379 29.662 29.460 -0.295 0.000 1.260 143 W HN 0.078 nan 8.180 nan 0.000 0.509 144 E N 6.560 126.461 120.200 -0.499 0.000 2.546 144 E HA 0.231 4.581 4.350 -0.000 0.000 0.227 144 E C -1.520 174.604 176.600 -0.794 0.000 1.009 144 E CA -0.268 55.259 56.400 -1.455 0.000 0.813 144 E CB 0.691 29.688 29.700 -1.172 0.000 1.269 144 E HN 0.282 nan 8.360 nan 0.000 0.432 145 Y N 0.446 120.590 120.300 -0.260 0.000 2.581 145 Y HA 0.278 4.828 4.550 -0.000 0.000 0.337 145 Y C -2.376 173.003 175.900 -0.868 0.000 1.108 145 Y CA -2.681 55.100 58.100 -0.530 0.000 1.033 145 Y CB 1.543 39.874 38.460 -0.215 0.000 1.318 145 Y HN 0.240 nan 8.280 nan 0.000 0.459 146 P HA 0.032 nan 4.420 nan 0.000 0.266 146 P C -1.069 175.963 177.300 -0.447 0.000 1.195 146 P CA 0.111 62.340 63.100 -1.451 0.000 0.768 146 P CB 0.961 31.520 31.700 -1.902 0.000 0.838 147 Q N 0.987 120.669 119.800 -0.198 0.000 2.212 147 Q HA 0.416 4.756 4.340 -0.000 0.000 0.238 147 Q C 1.670 177.652 176.000 -0.030 0.000 0.955 147 Q CA -0.686 55.097 55.803 -0.033 0.000 0.906 147 Q CB 0.877 29.642 28.738 0.045 0.000 1.215 147 Q HN 0.441 nan 8.270 nan 0.000 0.478 148 A N 1.160 123.980 122.820 0.001 0.000 1.929 148 A HA -0.322 3.998 4.320 -0.000 0.000 0.221 148 A C 1.999 179.592 177.584 0.015 0.000 1.211 148 A CA 2.569 54.610 52.037 0.007 0.000 0.657 148 A CB -1.186 17.814 19.000 0.001 0.000 0.827 148 A HN 0.836 nan 8.150 nan 0.000 0.462 149 A N -0.884 121.949 122.820 0.022 0.000 2.067 149 A HA -0.053 4.266 4.320 -0.000 0.000 0.219 149 A C 1.760 179.371 177.584 0.046 0.000 1.158 149 A CA 1.520 53.578 52.037 0.034 0.000 0.661 149 A CB -0.356 18.668 19.000 0.040 0.000 0.801 149 A HN 0.687 nan 8.150 nan 0.000 0.452 150 E N -0.669 119.552 120.200 0.036 0.000 2.452 150 E HA 0.077 4.427 4.350 -0.000 0.000 0.197 150 E C 1.529 178.153 176.600 0.039 0.000 1.022 150 E CA 0.265 56.702 56.400 0.061 0.000 0.890 150 E CB 0.169 29.920 29.700 0.084 0.000 0.918 150 E HN 0.342 nan 8.360 nan 0.000 0.496 151 V N 1.929 121.849 119.914 0.009 0.000 2.343 151 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 151 V C 1.585 177.761 176.094 0.136 0.000 1.051 151 V CA 2.003 64.339 62.300 0.060 0.000 1.036 151 V CB -0.337 31.523 31.823 0.062 0.000 0.654 151 V HN 0.229 nan 8.190 nan 0.000 0.451 152 D N 0.652 121.110 120.400 0.097 0.000 2.144 152 D HA -0.110 4.529 4.640 -0.000 0.000 0.199 152 D C 2.200 178.565 176.300 0.109 0.000 0.984 152 D CA 1.612 55.666 54.000 0.090 0.000 0.834 152 D CB -0.560 40.279 40.800 0.065 0.000 0.955 152 D HN 0.476 nan 8.370 nan 0.000 0.465 153 G N -0.187 108.693 108.800 0.134 0.000 2.408 153 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 153 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 153 G C 1.467 176.499 174.900 0.219 0.000 1.150 153 G CA 0.185 45.377 45.100 0.153 0.000 0.776 153 G HN 0.236 nan 8.290 nan 0.000 0.542 154 F N 1.462 121.460 119.950 0.080 0.000 2.134 154 F HA 0.030 4.557 4.527 -0.000 0.000 0.299 154 F C 2.421 178.260 175.800 0.065 0.000 1.097 154 F CA 0.965 59.022 58.000 0.095 0.000 1.264 154 F CB -0.224 38.754 39.000 -0.036 0.000 1.001 154 F HN 0.094 nan 8.300 nan 0.000 0.479 155 I N 0.265 120.867 120.570 0.053 0.000 2.163 155 I HA -0.336 3.833 4.170 -0.000 0.000 0.243 155 I C 2.697 178.781 176.117 -0.054 0.000 1.085 155 I CA 1.375 62.636 61.300 -0.064 0.000 1.347 155 I CB -0.961 37.052 38.000 0.022 0.000 1.044 155 I HN 0.234 nan 8.210 nan 0.000 0.408 156 A N 0.591 123.420 122.820 0.015 0.000 1.933 156 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 156 A C 2.511 180.108 177.584 0.023 0.000 1.175 156 A CA 1.895 53.946 52.037 0.023 0.000 0.628 156 A CB -0.793 18.236 19.000 0.048 0.000 0.814 156 A HN 0.459 nan 8.150 nan 0.000 0.444 157 A N -0.224 122.625 122.820 0.047 0.000 1.898 157 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 157 A C 2.147 179.735 177.584 0.008 0.000 1.181 157 A CA 1.406 53.501 52.037 0.096 0.000 0.620 157 A CB -0.584 18.556 19.000 0.235 0.000 0.819 157 A HN 0.470 nan 8.150 nan 0.000 0.442 158 L N -0.907 120.246 121.223 -0.118 0.000 2.083 158 L HA -0.266 4.074 4.340 -0.000 0.000 0.209 158 L C 2.869 179.685 176.870 -0.090 0.000 1.083 158 L CA 1.632 56.378 54.840 -0.157 0.000 0.752 158 L CB -0.621 41.261 42.059 -0.296 0.000 0.899 158 L HN 0.477 nan 8.230 nan 0.000 0.433 159 Q N -0.477 119.282 119.800 -0.068 0.000 2.124 159 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 159 Q C 2.145 178.129 176.000 -0.027 0.000 0.977 159 Q CA 1.533 57.312 55.803 -0.040 0.000 0.850 159 Q CB -0.030 28.693 28.738 -0.025 0.000 0.901 159 Q HN 0.297 nan 8.270 nan 0.000 0.429 160 E N 1.002 121.191 120.200 -0.018 0.000 2.072 160 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 160 E C 1.645 178.225 176.600 -0.034 0.000 0.985 160 E CA 1.092 57.484 56.400 -0.014 0.000 0.801 160 E CB -0.171 29.532 29.700 0.005 0.000 0.750 160 E HN 0.334 nan 8.360 nan 0.000 0.452 161 I N 0.301 120.839 120.570 -0.052 0.000 2.226 161 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 161 I C 2.508 178.595 176.117 -0.049 0.000 1.100 161 I CA 1.282 62.536 61.300 -0.077 0.000 1.374 161 I CB -0.294 37.644 38.000 -0.105 0.000 1.057 161 I HN 0.084 nan 8.210 nan 0.000 0.413 162 R N 1.139 121.615 120.500 -0.040 0.000 2.091 162 R HA -0.153 4.187 4.340 -0.000 0.000 0.238 162 R C 2.102 178.397 176.300 -0.009 0.000 1.136 162 R CA 2.352 58.439 56.100 -0.023 0.000 0.959 162 R CB -1.226 29.057 30.300 -0.028 0.000 0.856 162 R HN 0.222 nan 8.270 nan 0.000 0.437 163 T N 1.315 115.861 114.554 -0.013 0.000 2.684 163 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 163 T C 1.739 176.438 174.700 -0.001 0.000 1.036 163 T CA 1.737 63.834 62.100 -0.005 0.000 1.148 163 T CB -0.214 68.650 68.868 -0.006 0.000 0.863 163 T HN 0.166 nan 8.240 nan 0.000 0.436 164 L N 0.258 121.474 121.223 -0.013 0.000 2.093 164 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 164 L C 2.501 179.370 176.870 -0.002 0.000 1.085 164 L CA 0.985 55.816 54.840 -0.015 0.000 0.755 164 L CB -0.598 41.438 42.059 -0.039 0.000 0.904 164 L HN 0.246 nan 8.230 nan 0.000 0.435 165 L N -0.313 120.913 121.223 0.004 0.000 2.056 165 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 165 L C 2.309 179.252 176.870 0.121 0.000 1.078 165 L CA 0.977 55.848 54.840 0.052 0.000 0.749 165 L CB -0.570 41.527 42.059 0.063 0.000 0.901 165 L HN 0.331 nan 8.230 nan 0.000 0.433 166 N N -0.122 118.621 118.700 0.072 0.000 2.188 166 N HA -0.178 4.562 4.740 -0.000 0.000 0.184 166 N C 1.874 177.424 175.510 0.068 0.000 1.018 166 N CA 1.072 54.161 53.050 0.066 0.000 0.858 166 N CB -0.151 38.355 38.487 0.032 0.000 0.989 166 N HN 0.386 nan 8.380 nan 0.000 0.426 167 Q N -0.024 119.807 119.800 0.052 0.000 2.084 167 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 167 Q C 1.891 177.936 176.000 0.075 0.000 0.978 167 Q CA 1.201 57.032 55.803 0.046 0.000 0.844 167 Q CB -0.077 28.677 28.738 0.026 0.000 0.898 167 Q HN 0.267 nan 8.270 nan 0.000 0.426 168 Q N 0.005 119.867 119.800 0.102 0.000 2.119 168 Q HA -0.112 4.228 4.340 -0.000 0.000 0.201 168 Q C 1.858 178.047 176.000 0.315 0.000 0.972 168 Q CA 1.769 57.666 55.803 0.156 0.000 0.847 168 Q CB -0.223 28.542 28.738 0.045 0.000 0.903 168 Q HN 0.269 nan 8.270 nan 0.000 0.433 169 T N 0.765 115.519 114.554 0.333 0.000 2.720 169 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 169 T C 1.456 176.188 174.700 0.055 0.000 1.037 169 T CA 1.292 63.475 62.100 0.139 0.000 1.144 169 T CB -0.127 68.767 68.868 0.044 0.000 0.864 169 T HN 0.202 nan 8.240 nan 0.000 0.444 170 I N 1.474 122.080 120.570 0.061 0.000 2.286 170 I HA -0.073 4.097 4.170 -0.000 0.000 0.245 170 I C 2.586 178.725 176.117 0.036 0.000 1.104 170 I CA 1.355 62.674 61.300 0.031 0.000 1.397 170 I CB -1.813 36.202 38.000 0.025 0.000 1.072 170 I HN 0.237 nan 8.210 nan 0.000 0.417 171 T N 0.756 115.345 114.554 0.058 0.000 2.881 171 T HA -0.121 4.229 4.350 -0.000 0.000 0.270 171 T C 1.118 175.853 174.700 0.059 0.000 1.068 171 T CA 1.242 63.373 62.100 0.052 0.000 1.131 171 T CB -0.130 68.771 68.868 0.054 0.000 0.871 171 T HN 0.245 nan 8.240 nan 0.000 0.479 172 D N 0.015 120.469 120.400 0.090 0.000 2.363 172 D HA 0.270 4.910 4.640 -0.000 0.000 0.214 172 D C 1.401 177.711 176.300 0.017 0.000 1.093 172 D CA 0.232 54.282 54.000 0.083 0.000 0.837 172 D CB -0.088 40.828 40.800 0.194 0.000 0.948 172 D HN 0.386 nan 8.370 nan 0.000 0.507 173 G N 1.862 110.662 108.800 0.000 0.000 2.249 173 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.273 173 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.273 173 G C 0.782 175.644 174.900 -0.063 0.000 1.036 173 G CA -0.186 44.899 45.100 -0.025 0.000 0.824 173 G HN 0.201 nan 8.290 nan 0.000 0.504 174 R N -0.594 119.840 120.500 -0.111 0.000 2.721 174 R HA 0.178 4.518 4.340 -0.000 0.000 0.296 174 R C 1.916 178.122 176.300 -0.156 0.000 1.174 174 R CA 0.093 56.076 56.100 -0.194 0.000 1.129 174 R CB 0.140 30.174 30.300 -0.444 0.000 1.316 174 R HN 0.554 nan 8.270 nan 0.000 0.571 175 Q N 0.326 120.071 119.800 -0.091 0.000 2.181 175 Q HA -0.098 4.242 4.340 -0.000 0.000 0.205 175 Q C 1.935 177.896 176.000 -0.065 0.000 0.980 175 Q CA 2.083 57.847 55.803 -0.066 0.000 0.862 175 Q CB -0.108 28.605 28.738 -0.041 0.000 0.905 175 Q HN 0.356 nan 8.270 nan 0.000 0.429 176 A N -0.760 122.019 122.820 -0.068 0.000 2.119 176 A HA 0.095 4.415 4.320 -0.000 0.000 0.216 176 A C 0.740 178.285 177.584 -0.066 0.000 1.152 176 A CA 0.521 52.524 52.037 -0.056 0.000 0.708 176 A CB 0.317 19.288 19.000 -0.048 0.000 0.805 176 A HN 0.277 nan 8.150 nan 0.000 0.460 177 L N -0.044 121.118 121.223 -0.102 0.000 2.420 177 L HA 0.381 4.721 4.340 -0.000 0.000 0.260 177 L C -2.992 173.768 176.870 -0.185 0.000 1.508 177 L CA -1.696 53.077 54.840 -0.112 0.000 0.835 177 L CB 1.437 43.431 42.059 -0.108 0.000 1.018 177 L HN -0.142 nan 8.230 nan 0.000 0.520 178 P HA 0.054 nan 4.420 nan 0.000 0.268 178 P C -0.966 176.254 177.300 -0.134 0.000 1.208 178 P CA 0.274 63.270 63.100 -0.172 0.000 0.777 178 P CB 0.195 31.856 31.700 -0.064 0.000 0.875 179 Y N 0.769 121.087 120.300 0.030 0.000 2.497 179 Y HA 0.117 4.667 4.550 -0.000 0.000 0.334 179 Y C 1.372 177.295 175.900 0.038 0.000 1.199 179 Y CA 0.815 58.943 58.100 0.046 0.000 1.425 179 Y CB 0.075 38.563 38.460 0.047 0.000 1.291 179 Y HN 0.320 nan 8.280 nan 0.000 0.562 180 Q N 1.694 121.631 119.800 0.229 0.000 2.359 180 Q HA 0.658 4.998 4.340 -0.000 0.000 0.275 180 Q C -1.696 174.356 176.000 0.086 0.000 1.082 180 Q CA -1.381 54.505 55.803 0.138 0.000 0.849 180 Q CB 2.803 31.650 28.738 0.182 0.000 1.377 180 Q HN 0.512 nan 8.270 nan 0.000 0.452 181 L N 0.895 122.141 121.223 0.039 0.000 2.409 181 L HA 0.607 4.947 4.340 -0.000 0.000 0.272 181 L C -1.069 175.807 176.870 0.010 0.000 0.980 181 L CA 0.087 54.925 54.840 -0.004 0.000 0.826 181 L CB 2.038 44.081 42.059 -0.027 0.000 1.268 181 L HN 0.821 nan 8.230 nan 0.000 0.407 182 T N 2.798 117.361 114.554 0.015 0.000 2.865 182 T HA 0.841 5.191 4.350 -0.000 0.000 0.294 182 T C -0.358 174.381 174.700 0.064 0.000 1.119 182 T CA -0.637 61.498 62.100 0.058 0.000 1.007 182 T CB 1.624 70.544 68.868 0.087 0.000 1.225 182 T HN 0.825 nan 8.240 nan 0.000 0.515 183 I N -1.962 118.674 120.570 0.110 0.000 2.969 183 I HA 0.882 5.052 4.170 -0.000 0.000 0.307 183 I C -0.746 175.482 176.117 0.186 0.000 1.149 183 I CA -1.889 59.508 61.300 0.162 0.000 1.008 183 I CB 1.908 40.032 38.000 0.207 0.000 1.232 183 I HN 0.929 nan 8.210 nan 0.000 0.435 184 A N 2.712 125.664 122.820 0.220 0.000 2.276 184 A HA 0.792 5.112 4.320 -0.000 0.000 0.300 184 A C 0.167 177.900 177.584 0.248 0.000 1.235 184 A CA -0.040 52.134 52.037 0.229 0.000 0.867 184 A CB 0.281 19.425 19.000 0.240 0.000 1.137 184 A HN 1.095 nan 8.150 nan 0.000 0.527 185 G N 0.572 109.523 108.800 0.252 0.000 2.471 185 G HA2 0.638 4.598 3.960 -0.000 0.000 0.332 185 G HA3 0.638 4.598 3.960 -0.000 0.000 0.332 185 G C 0.184 175.277 174.900 0.322 0.000 1.176 185 G CA -0.090 45.217 45.100 0.345 0.000 0.949 185 G HN 1.372 nan 8.290 nan 0.000 0.488 186 A N -0.708 122.269 122.820 0.261 0.000 2.498 186 A HA 0.516 4.836 4.320 -0.000 0.000 0.239 186 A C 1.311 178.928 177.584 0.054 0.000 1.068 186 A CA 0.558 52.561 52.037 -0.056 0.000 0.766 186 A CB 0.444 19.174 19.000 -0.449 0.000 1.003 186 A HN 1.484 nan 8.150 nan 0.000 0.497 187 G N 0.971 109.774 108.800 0.003 0.000 3.453 187 G HA2 0.477 4.437 3.960 -0.000 0.000 0.263 187 G HA3 0.477 4.437 3.960 -0.000 0.000 0.263 187 G C 0.392 175.293 174.900 0.001 0.000 1.060 187 G CA 0.589 45.689 45.100 -0.000 0.000 0.793 187 G HN 1.249 nan 8.290 nan 0.000 0.532 188 G N -1.563 107.232 108.800 -0.008 0.000 2.620 188 G HA2 0.539 4.499 3.960 -0.000 0.000 0.301 188 G HA3 0.539 4.499 3.960 -0.000 0.000 0.301 188 G C 0.711 175.539 174.900 -0.120 0.000 1.347 188 G CA 0.291 45.378 45.100 -0.022 0.000 0.971 188 G HN 0.296 nan 8.290 nan 0.000 0.488 189 A N 0.805 123.489 122.820 -0.227 0.000 1.972 189 A HA 0.076 4.396 4.320 -0.000 0.000 0.219 189 A C 1.891 179.185 177.584 -0.483 0.000 1.169 189 A CA 1.496 53.264 52.037 -0.448 0.000 0.635 189 A CB -0.579 18.093 19.000 -0.547 0.000 0.810 189 A HN 0.619 nan 8.150 nan 0.000 0.446 190 F N -1.341 118.490 119.950 -0.199 0.000 2.046 190 F HA -0.177 4.350 4.527 -0.000 0.000 0.297 190 F C 2.118 177.695 175.800 -0.371 0.000 1.123 190 F CA 1.615 59.435 58.000 -0.300 0.000 1.199 190 F CB -0.676 38.096 39.000 -0.380 0.000 0.972 190 F HN 0.213 nan 8.300 nan 0.000 0.474 191 F N -0.566 119.335 119.950 -0.081 0.000 2.259 191 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 191 F C 2.130 177.626 175.800 -0.506 0.000 1.088 191 F CA 0.539 58.367 58.000 -0.286 0.000 1.358 191 F CB -0.988 37.715 39.000 -0.494 0.000 1.040 191 F HN -0.104 nan 8.300 nan 0.000 0.505 192 L N 0.439 121.440 121.223 -0.370 0.000 2.127 192 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 192 L C 2.519 178.968 176.870 -0.702 0.000 1.089 192 L CA 2.025 56.466 54.840 -0.666 0.000 0.757 192 L CB -1.175 40.603 42.059 -0.468 0.000 0.899 192 L HN 0.192 nan 8.230 nan 0.000 0.434 193 S N -1.176 114.232 115.700 -0.487 0.000 2.469 193 S HA -0.203 4.267 4.470 -0.000 0.000 0.238 193 S C 2.022 176.452 174.600 -0.283 0.000 0.998 193 S CA 0.814 58.771 58.200 -0.406 0.000 0.957 193 S CB -0.659 62.331 63.200 -0.350 0.000 0.764 193 S HN 0.567 nan 8.310 nan 0.000 0.514 194 R N 0.289 120.633 120.500 -0.260 0.000 2.096 194 R HA -0.063 4.277 4.340 -0.000 0.000 0.235 194 R C 1.552 177.832 176.300 -0.034 0.000 1.127 194 R CA 1.823 57.867 56.100 -0.094 0.000 0.968 194 R CB -0.326 30.001 30.300 0.044 0.000 0.861 194 R HN 0.902 nan 8.270 nan 0.000 0.440 195 Y N -5.177 115.084 120.300 -0.064 0.000 2.626 195 Y HA 0.233 4.783 4.550 -0.000 0.000 0.248 195 Y C 1.302 177.191 175.900 -0.018 0.000 1.147 195 Y CA -1.248 56.824 58.100 -0.047 0.000 1.219 195 Y CB -0.696 37.729 38.460 -0.059 0.000 1.279 195 Y HN -0.126 nan 8.280 nan 0.000 0.541 196 Y N 2.770 122.828 120.300 -0.402 0.000 2.151 196 Y HA -0.309 4.241 4.550 -0.000 0.000 0.284 196 Y C 2.666 178.463 175.900 -0.171 0.000 1.166 196 Y CA 2.451 60.348 58.100 -0.339 0.000 1.163 196 Y CB -0.431 37.757 38.460 -0.452 0.000 0.974 196 Y HN 0.360 nan 8.280 nan 0.000 0.511 197 S N -0.763 114.860 115.700 -0.129 0.000 2.442 197 S HA -0.161 4.309 4.470 -0.000 0.000 0.236 197 S C 1.308 175.832 174.600 -0.128 0.000 1.007 197 S CA 1.364 59.451 58.200 -0.188 0.000 0.965 197 S CB -0.367 62.755 63.200 -0.131 0.000 0.773 197 S HN 0.532 nan 8.310 nan 0.000 0.504 198 K N 0.395 120.766 120.400 -0.048 0.000 2.726 198 K HA 0.436 4.756 4.320 -0.000 0.000 0.209 198 K C 0.842 177.460 176.600 0.029 0.000 1.082 198 K CA -0.201 56.089 56.287 0.004 0.000 1.081 198 K CB 0.182 32.712 32.500 0.051 0.000 0.830 198 K HN 0.237 nan 8.250 nan 0.000 0.470 199 L N 0.638 121.838 121.223 -0.037 0.000 2.042 199 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 199 L C 2.362 179.251 176.870 0.032 0.000 1.076 199 L CA 1.630 56.480 54.840 0.018 0.000 0.749 199 L CB -0.346 41.637 42.059 -0.126 0.000 0.893 199 L HN 0.389 nan 8.230 nan 0.000 0.432 200 A N -0.711 122.107 122.820 -0.003 0.000 1.908 200 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 200 A C 2.112 179.709 177.584 0.022 0.000 1.181 200 A CA 1.726 53.773 52.037 0.016 0.000 0.627 200 A CB -0.464 18.543 19.000 0.012 0.000 0.818 200 A HN 0.532 nan 8.150 nan 0.000 0.445 201 Q N -0.826 118.987 119.800 0.022 0.000 2.167 201 Q HA -0.022 4.318 4.340 -0.000 0.000 0.202 201 Q C 1.986 177.992 176.000 0.010 0.000 0.970 201 Q CA 1.254 57.067 55.803 0.017 0.000 0.855 201 Q CB -0.232 28.520 28.738 0.023 0.000 0.911 201 Q HN 0.749 nan 8.270 nan 0.000 0.438 202 I N -0.212 120.377 120.570 0.032 0.000 2.315 202 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 202 I C 1.943 178.062 176.117 0.002 0.000 1.117 202 I CA 0.763 62.071 61.300 0.014 0.000 1.404 202 I CB 0.041 38.092 38.000 0.085 0.000 1.071 202 I HN 0.012 nan 8.210 nan 0.000 0.419 203 V N 0.744 120.682 119.914 0.040 0.000 2.951 203 V HA -0.092 4.028 4.120 -0.000 0.000 0.255 203 V C 2.601 178.699 176.094 0.006 0.000 1.088 203 V CA 1.250 63.575 62.300 0.041 0.000 1.109 203 V CB -0.625 31.246 31.823 0.080 0.000 0.724 203 V HN 0.424 nan 8.190 nan 0.000 0.471 204 A N 1.637 124.456 122.820 -0.001 0.000 1.892 204 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 204 A C 0.645 178.213 177.584 -0.027 0.000 1.188 204 A CA 2.264 54.293 52.037 -0.012 0.000 0.631 204 A CB -1.789 17.206 19.000 -0.008 0.000 0.822 204 A HN 0.595 nan 8.150 nan 0.000 0.447 205 P HA 0.178 nan 4.420 nan 0.000 0.249 205 P C -0.047 177.222 177.300 -0.051 0.000 1.229 205 P CA 0.366 63.438 63.100 -0.047 0.000 0.788 205 P CB -0.070 31.592 31.700 -0.062 0.000 1.072 206 L N -0.222 120.972 121.223 -0.049 0.000 2.344 206 L HA 0.336 4.676 4.340 -0.000 0.000 0.272 206 L C 1.391 178.202 176.870 -0.099 0.000 1.035 206 L CA -0.697 54.112 54.840 -0.050 0.000 0.807 206 L CB 1.018 43.068 42.059 -0.016 0.000 1.237 206 L HN -0.278 nan 8.230 nan 0.000 0.442 207 D N 0.067 120.382 120.400 -0.142 0.000 2.183 207 D HA 0.009 4.649 4.640 -0.000 0.000 0.205 207 D C -0.589 175.330 176.300 -0.635 0.000 0.962 207 D CA 1.632 55.405 54.000 -0.379 0.000 0.849 207 D CB 0.455 41.053 40.800 -0.338 0.000 0.978 207 D HN 0.285 nan 8.370 nan 0.000 0.488 208 Y N -0.705 119.593 120.300 -0.005 0.000 2.581 208 Y HA 0.408 4.958 4.550 -0.000 0.000 0.337 208 Y C -0.697 175.208 175.900 0.009 0.000 1.108 208 Y CA -0.934 57.160 58.100 -0.010 0.000 1.033 208 Y CB 2.025 40.453 38.460 -0.053 0.000 1.318 208 Y HN -0.287 nan 8.280 nan 0.000 0.459 209 I N 3.208 123.902 120.570 0.206 0.000 2.355 209 I HA 0.451 4.621 4.170 -0.000 0.000 0.288 209 I C -1.254 174.937 176.117 0.123 0.000 0.999 209 I CA -0.617 60.776 61.300 0.154 0.000 1.163 209 I CB 0.502 38.596 38.000 0.157 0.000 1.316 209 I HN 0.581 nan 8.210 nan 0.000 0.454 210 N N 8.868 127.642 118.700 0.123 0.000 2.469 210 N HA 0.327 5.067 4.740 -0.000 0.000 0.239 210 N C -0.722 174.855 175.510 0.111 0.000 1.053 210 N CA -0.245 52.866 53.050 0.102 0.000 0.937 210 N CB 1.344 39.903 38.487 0.120 0.000 1.163 210 N HN 0.564 nan 8.380 nan 0.000 0.509 211 L N 1.463 122.719 121.223 0.055 0.000 2.410 211 L HA 0.249 4.589 4.340 -0.000 0.000 0.273 211 L C 1.242 178.125 176.870 0.021 0.000 1.152 211 L CA -0.051 54.802 54.840 0.022 0.000 0.855 211 L CB 0.590 42.609 42.059 -0.066 0.000 1.129 211 L HN 0.371 nan 8.230 nan 0.000 0.463 212 M N 3.959 123.523 119.600 -0.060 0.000 3.586 212 M HA 0.061 4.541 4.480 -0.000 0.000 0.225 212 M C 0.281 176.307 176.300 -0.457 0.000 1.428 212 M CA -0.223 54.847 55.300 -0.383 0.000 1.613 212 M CB -0.255 32.143 32.600 -0.337 0.000 1.063 212 M HN 0.637 nan 8.290 nan 0.000 0.593 213 T N 1.271 115.706 114.554 -0.199 0.000 4.099 213 T HA 0.268 4.618 4.350 -0.000 0.000 0.223 213 T C -0.619 174.143 174.700 0.104 0.000 0.968 213 T CA -0.329 61.750 62.100 -0.034 0.000 0.966 213 T CB -1.136 67.760 68.868 0.047 0.000 1.328 213 T HN 0.621 nan 8.240 nan 0.000 0.783 214 Y N -3.081 117.278 120.300 0.100 0.000 2.853 214 Y HA 0.547 5.097 4.550 -0.000 0.000 0.326 214 Y C -0.417 175.574 175.900 0.152 0.000 1.384 214 Y CA -1.727 56.438 58.100 0.107 0.000 1.077 214 Y CB 0.017 38.532 38.460 0.091 0.000 1.395 214 Y HN 0.085 nan 8.280 nan 0.000 0.451 215 D N 0.091 120.732 120.400 0.402 0.000 2.911 215 D HA -0.166 4.474 4.640 -0.000 0.000 0.227 215 D C 0.400 176.914 176.300 0.357 0.000 1.164 215 D CA 1.271 55.513 54.000 0.404 0.000 0.782 215 D CB -1.010 39.982 40.800 0.321 0.000 1.094 215 D HN 0.714 nan 8.370 nan 0.000 0.425 216 L N -1.590 119.776 121.223 0.238 0.000 2.599 216 L HA 0.307 4.647 4.340 -0.000 0.000 0.230 216 L C 1.159 178.127 176.870 0.165 0.000 1.141 216 L CA 0.681 55.613 54.840 0.154 0.000 0.877 216 L CB -0.021 42.074 42.059 0.060 0.000 1.009 216 L HN 0.194 nan 8.230 nan 0.000 0.447 217 A N -0.631 122.316 122.820 0.212 0.000 2.556 217 A HA 0.864 5.184 4.320 -0.000 0.000 0.294 217 A C -0.359 177.168 177.584 -0.094 0.000 1.091 217 A CA 0.014 52.127 52.037 0.127 0.000 0.704 217 A CB 1.764 20.870 19.000 0.176 0.000 1.300 217 A HN 0.088 nan 8.150 nan 0.000 0.406 218 G N -0.474 107.998 108.800 -0.546 0.000 2.451 218 G HA2 0.572 4.532 3.960 -0.000 0.000 0.292 218 G HA3 0.572 4.532 3.960 -0.000 0.000 0.292 218 G C -2.733 171.488 174.900 -1.131 0.000 1.427 218 G CA -0.050 44.204 45.100 -1.409 0.000 0.792 218 G HN 0.413 nan 8.290 nan 0.000 0.498 219 P HA -0.038 nan 4.420 nan 0.000 0.225 219 P C 1.235 178.547 177.300 0.020 0.000 1.148 219 P CA 1.280 64.189 63.100 -0.317 0.000 0.779 219 P CB -0.068 31.517 31.700 -0.192 0.000 0.780 220 W N -0.197 121.197 121.300 0.156 0.000 2.937 220 W HA 0.242 4.902 4.660 -0.000 0.000 0.245 220 W C 0.297 176.913 176.519 0.162 0.000 1.306 220 W CA -0.179 57.242 57.345 0.128 0.000 1.470 220 W CB -0.973 28.520 29.460 0.055 0.000 1.132 220 W HN -0.225 nan 8.180 nan 0.000 0.675 221 E N 0.893 121.077 120.200 -0.026 0.000 2.248 221 E HA 0.257 4.607 4.350 -0.000 0.000 0.272 221 E C 1.376 178.126 176.600 0.250 0.000 1.008 221 E CA 0.324 56.814 56.400 0.150 0.000 0.856 221 E CB 1.486 31.256 29.700 0.117 0.000 1.120 221 E HN 0.095 nan 8.360 nan 0.000 0.397 222 K N 1.675 122.164 120.400 0.149 0.000 2.025 222 K HA -0.020 4.300 4.320 -0.000 0.000 0.207 222 K C 1.217 177.875 176.600 0.096 0.000 1.049 222 K CA 1.735 58.063 56.287 0.069 0.000 0.933 222 K CB -0.677 31.820 32.500 -0.004 0.000 0.714 222 K HN 0.360 nan 8.250 nan 0.000 0.438 223 V N 0.687 120.639 119.914 0.063 0.000 2.581 223 V HA 0.602 4.722 4.120 -0.000 0.000 0.303 223 V C 0.143 176.160 176.094 -0.128 0.000 1.041 223 V CA -0.188 62.109 62.300 -0.005 0.000 0.907 223 V CB 1.056 32.839 31.823 -0.066 0.000 0.994 223 V HN 0.596 nan 8.190 nan 0.000 0.442 224 T N 2.569 116.887 114.554 -0.392 0.000 2.932 224 T HA 0.407 4.757 4.350 -0.000 0.000 0.312 224 T C -0.100 174.227 174.700 -0.622 0.000 1.071 224 T CA 0.029 61.547 62.100 -0.970 0.000 1.128 224 T CB 0.617 68.603 68.868 -1.470 0.000 0.984 224 T HN 1.223 nan 8.240 nan 0.000 0.549 225 N N -0.861 117.538 118.700 -0.502 0.000 3.046 225 N HA 0.187 4.926 4.740 -0.000 0.000 0.243 225 N C -1.706 173.743 175.510 -0.102 0.000 1.452 225 N CA -0.726 52.210 53.050 -0.190 0.000 0.882 225 N CB 1.076 39.612 38.487 0.083 0.000 1.425 225 N HN 0.710 nan 8.380 nan 0.000 0.517 226 H N 1.164 120.326 119.070 0.153 0.000 2.764 226 H HA 0.082 4.638 4.556 -0.000 0.000 0.341 226 H C 0.381 175.785 175.328 0.127 0.000 1.072 226 H CA 0.364 56.489 56.048 0.129 0.000 1.444 226 H CB 1.174 30.958 29.762 0.037 0.000 1.458 226 H HN 0.568 nan 8.280 nan 0.000 0.572 227 Q N 1.709 121.638 119.800 0.215 0.000 2.451 227 Q HA 0.247 4.587 4.340 -0.000 0.000 0.206 227 Q C 0.336 176.444 176.000 0.179 0.000 0.947 227 Q CA 0.694 56.617 55.803 0.200 0.000 0.937 227 Q CB 0.800 29.665 28.738 0.212 0.000 1.025 227 Q HN 0.501 nan 8.270 nan 0.000 0.511 228 A N 0.438 123.347 122.820 0.148 0.000 3.165 228 A HA 0.663 4.983 4.320 -0.000 0.000 0.212 228 A C -0.137 177.463 177.584 0.027 0.000 0.935 228 A CA -0.256 51.847 52.037 0.110 0.000 1.100 228 A CB 0.082 19.174 19.000 0.153 0.000 1.260 228 A HN 0.360 nan 8.150 nan 0.000 0.532 229 A N 0.077 122.909 122.820 0.021 0.000 2.540 229 A HA 0.413 4.733 4.320 -0.000 0.000 0.239 229 A C 1.186 178.679 177.584 -0.152 0.000 1.061 229 A CA 0.266 52.252 52.037 -0.084 0.000 0.758 229 A CB 0.096 19.080 19.000 -0.026 0.000 0.991 229 A HN 1.409 nan 8.150 nan 0.000 0.502 230 L N 2.920 123.978 121.223 -0.274 0.000 2.044 230 L HA 0.254 4.594 4.340 -0.000 0.000 0.205 230 L C 0.143 176.622 176.870 -0.652 0.000 1.075 230 L CA 1.740 56.259 54.840 -0.535 0.000 0.747 230 L CB -0.513 41.150 42.059 -0.660 0.000 0.903 230 L HN 0.601 nan 8.230 nan 0.000 0.435 231 F N -1.143 118.755 119.950 -0.087 0.000 2.594 231 F HA 0.659 5.186 4.527 -0.000 0.000 0.335 231 F C 0.947 176.729 175.800 -0.030 0.000 1.058 231 F CA -0.911 57.070 58.000 -0.031 0.000 0.981 231 F CB 0.414 39.405 39.000 -0.014 0.000 1.289 231 F HN -0.109 nan 8.300 nan 0.000 0.490 232 G N -0.313 108.624 108.800 0.228 0.000 2.448 232 G HA2 0.413 4.373 3.960 -0.000 0.000 0.285 232 G HA3 0.413 4.373 3.960 -0.000 0.000 0.285 232 G C -1.710 173.224 174.900 0.057 0.000 1.176 232 G CA -0.224 44.943 45.100 0.111 0.000 0.852 232 G HN 0.495 nan 8.290 nan 0.000 0.530 233 D N 0.695 121.104 120.400 0.015 0.000 2.440 233 D HA 0.445 5.084 4.640 -0.000 0.000 0.239 233 D C 1.153 177.402 176.300 -0.085 0.000 1.084 233 D CA -0.207 53.785 54.000 -0.013 0.000 0.843 233 D CB 1.545 42.369 40.800 0.039 0.000 1.097 233 D HN 0.308 nan 8.370 nan 0.000 0.531 234 A N 3.535 126.316 122.820 -0.064 0.000 2.084 234 A HA -0.059 4.261 4.320 -0.000 0.000 0.221 234 A C 1.909 179.400 177.584 -0.156 0.000 1.161 234 A CA 1.853 53.837 52.037 -0.089 0.000 0.653 234 A CB -0.346 18.622 19.000 -0.053 0.000 0.802 234 A HN 0.617 nan 8.150 nan 0.000 0.457 235 A N -0.638 122.074 122.820 -0.180 0.000 2.167 235 A HA 0.429 4.749 4.320 -0.000 0.000 0.214 235 A C 1.444 178.635 177.584 -0.656 0.000 1.151 235 A CA 0.910 52.798 52.037 -0.248 0.000 0.735 235 A CB -0.698 18.261 19.000 -0.068 0.000 0.802 235 A HN 0.687 nan 8.150 nan 0.000 0.467 236 G N -0.003 108.269 108.800 -0.879 0.000 2.557 236 G HA2 0.491 4.451 3.960 -0.000 0.000 0.292 236 G HA3 0.491 4.451 3.960 -0.000 0.000 0.292 236 G C -2.421 172.111 174.900 -0.612 0.000 1.237 236 G CA -1.345 42.934 45.100 -1.370 0.000 0.978 236 G HN 0.180 nan 8.290 nan 0.000 0.498 237 P HA 0.230 nan 4.420 nan 0.000 0.272 237 P C -0.181 176.935 177.300 -0.306 0.000 1.230 237 P CA 0.082 62.971 63.100 -0.352 0.000 0.788 237 P CB 1.067 32.570 31.700 -0.328 0.000 0.949 238 T N -1.820 112.486 114.554 -0.413 0.000 2.901 238 T HA 0.756 5.106 4.350 -0.000 0.000 0.293 238 T C -0.801 173.610 174.700 -0.482 0.000 1.084 238 T CA -0.556 61.388 62.100 -0.260 0.000 1.008 238 T CB 1.021 69.816 68.868 -0.122 0.000 1.170 238 T HN 0.189 nan 8.240 nan 0.000 0.509 239 F N -0.439 119.447 119.950 -0.107 0.000 2.620 239 F HA 0.523 5.050 4.527 -0.000 0.000 0.320 239 F C -0.456 175.487 175.800 0.237 0.000 1.069 239 F CA -1.533 56.517 58.000 0.084 0.000 0.953 239 F CB 1.373 40.425 39.000 0.085 0.000 1.322 239 F HN 0.754 nan 8.300 nan 0.000 0.479 240 Y N 2.247 122.830 120.300 0.472 0.000 2.526 240 Y HA 0.088 4.638 4.550 -0.000 0.000 0.330 240 Y C 0.476 176.538 175.900 0.270 0.000 1.156 240 Y CA -0.074 58.230 58.100 0.341 0.000 1.419 240 Y CB 0.269 38.940 38.460 0.351 0.000 1.250 240 Y HN 0.460 nan 8.280 nan 0.000 0.540 241 N N 5.348 123.922 118.700 -0.210 0.000 2.555 241 N HA 0.122 4.861 4.740 -0.000 0.000 0.244 241 N C 0.523 175.790 175.510 -0.406 0.000 1.114 241 N CA 0.574 53.435 53.050 -0.316 0.000 0.963 241 N CB 0.716 38.933 38.487 -0.450 0.000 1.276 241 N HN 0.895 nan 8.380 nan 0.000 0.510 242 A N 4.123 126.777 122.820 -0.275 0.000 2.076 242 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 242 A C 2.079 179.407 177.584 -0.427 0.000 1.160 242 A CA 0.912 52.859 52.037 -0.151 0.000 0.653 242 A CB -0.314 18.547 19.000 -0.232 0.000 0.801 242 A HN 0.729 nan 8.150 nan 0.000 0.455 243 L N -0.337 120.417 121.223 -0.782 0.000 2.191 243 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 243 L C 2.671 178.753 176.870 -1.314 0.000 1.103 243 L CA 1.539 55.629 54.840 -1.250 0.000 0.769 243 L CB -0.563 40.339 42.059 -1.928 0.000 0.908 243 L HN 0.616 nan 8.230 nan 0.000 0.438 244 R N -0.109 119.858 120.500 -0.889 0.000 2.285 244 R HA -0.105 4.235 4.340 -0.000 0.000 0.213 244 R C 1.008 177.168 176.300 -0.233 0.000 1.068 244 R CA 0.930 56.792 56.100 -0.397 0.000 1.004 244 R CB -0.176 30.023 30.300 -0.169 0.000 0.873 244 R HN 0.311 nan 8.270 nan 0.000 0.467 245 E N 0.748 120.805 120.200 -0.239 0.000 2.498 245 E HA 0.226 4.576 4.350 -0.000 0.000 0.203 245 E C 0.144 176.644 176.600 -0.167 0.000 1.013 245 E CA 0.203 56.531 56.400 -0.120 0.000 0.927 245 E CB 1.054 30.740 29.700 -0.022 0.000 1.012 245 E HN 0.422 nan 8.360 nan 0.000 0.482 246 A N 1.791 124.443 122.820 -0.281 0.000 2.406 246 A HA 0.088 4.408 4.320 -0.000 0.000 0.243 246 A C 0.638 178.108 177.584 -0.191 0.000 1.082 246 A CA -0.310 51.582 52.037 -0.243 0.000 0.786 246 A CB 0.124 18.946 19.000 -0.297 0.000 1.029 246 A HN -0.017 nan 8.150 nan 0.000 0.495 247 N N 1.408 120.024 118.700 -0.140 0.000 3.050 247 N HA 0.161 4.901 4.740 -0.000 0.000 0.289 247 N C 0.404 175.824 175.510 -0.150 0.000 1.209 247 N CA 0.165 53.151 53.050 -0.107 0.000 1.154 247 N CB -0.517 37.935 38.487 -0.058 0.000 1.444 247 N HN 0.605 nan 8.380 nan 0.000 0.529 248 L N 0.082 121.150 121.223 -0.258 0.000 2.298 248 L HA 0.229 4.569 4.340 -0.000 0.000 0.209 248 L C 1.568 178.318 176.870 -0.200 0.000 1.084 248 L CA 0.534 55.102 54.840 -0.453 0.000 0.816 248 L CB -0.106 41.272 42.059 -1.136 0.000 0.967 248 L HN 0.522 nan 8.230 nan 0.000 0.460 249 G N -1.218 107.556 108.800 -0.042 0.000 2.143 249 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.248 249 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.248 249 G C -0.201 174.889 174.900 0.317 0.000 0.991 249 G CA -0.284 44.892 45.100 0.127 0.000 0.689 249 G HN 0.096 nan 8.290 nan 0.000 0.522 250 W N 1.223 122.572 121.300 0.082 0.000 2.253 250 W HA 0.702 5.362 4.660 -0.000 0.000 0.348 250 W C 1.189 177.766 176.519 0.096 0.000 1.229 250 W CA -0.794 56.599 57.345 0.080 0.000 1.335 250 W CB 0.485 29.993 29.460 0.080 0.000 1.165 250 W HN 0.536 nan 8.180 nan 0.000 0.631 251 S N 0.135 116.036 115.700 0.335 0.000 2.645 251 S HA 0.052 4.522 4.470 -0.000 0.000 0.266 251 S C 0.624 175.405 174.600 0.302 0.000 1.258 251 S CA -0.448 57.920 58.200 0.280 0.000 0.990 251 S CB 0.781 64.118 63.200 0.229 0.000 0.967 251 S HN 0.582 nan 8.310 nan 0.000 0.556 252 W N 1.318 122.704 121.300 0.144 0.000 2.335 252 W HA -0.108 4.552 4.660 -0.000 0.000 0.311 252 W C 2.194 178.777 176.519 0.107 0.000 1.213 252 W CA 1.921 59.340 57.345 0.124 0.000 1.274 252 W CB -0.193 29.326 29.460 0.097 0.000 1.148 252 W HN 0.816 nan 8.180 nan 0.000 0.498 253 E N 0.260 120.734 120.200 0.457 0.000 2.077 253 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 253 E C 1.844 178.453 176.600 0.015 0.000 0.989 253 E CA 1.924 58.482 56.400 0.263 0.000 0.800 253 E CB -0.550 29.305 29.700 0.259 0.000 0.746 253 E HN 0.574 nan 8.360 nan 0.000 0.452 254 E N 0.591 120.811 120.200 0.034 0.000 2.072 254 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 254 E C 2.357 178.959 176.600 0.004 0.000 0.985 254 E CA 0.649 57.010 56.400 -0.066 0.000 0.801 254 E CB -0.097 29.532 29.700 -0.119 0.000 0.750 254 E HN 0.167 nan 8.360 nan 0.000 0.452 255 L N 0.576 121.873 121.223 0.124 0.000 2.017 255 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 255 L C 2.575 179.373 176.870 -0.121 0.000 1.073 255 L CA 1.268 56.206 54.840 0.163 0.000 0.745 255 L CB -0.589 41.545 42.059 0.125 0.000 0.894 255 L HN 0.155 nan 8.230 nan 0.000 0.432 256 T N -0.201 114.123 114.554 -0.382 0.000 2.746 256 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 256 T C 1.847 176.359 174.700 -0.313 0.000 1.039 256 T CA 1.676 63.481 62.100 -0.492 0.000 1.142 256 T CB -0.252 68.063 68.868 -0.922 0.000 0.866 256 T HN 0.447 nan 8.240 nan 0.000 0.444 257 R N 1.251 121.593 120.500 -0.264 0.000 2.193 257 R HA 0.316 4.656 4.340 -0.000 0.000 0.213 257 R C 2.325 178.442 176.300 -0.305 0.000 1.055 257 R CA 1.039 57.000 56.100 -0.231 0.000 0.995 257 R CB -0.274 29.920 30.300 -0.176 0.000 0.893 257 R HN 0.320 nan 8.270 nan 0.000 0.459 258 A N 0.858 123.408 122.820 -0.450 0.000 1.984 258 A HA 0.191 4.511 4.320 -0.000 0.000 0.214 258 A C 0.140 177.295 177.584 -0.715 0.000 1.173 258 A CA 0.169 51.788 52.037 -0.696 0.000 0.673 258 A CB 0.164 18.508 19.000 -1.094 0.000 0.830 258 A HN 0.292 nan 8.150 nan 0.000 0.453 259 F N 1.191 121.076 119.950 -0.108 0.000 2.449 259 F HA 0.339 4.866 4.527 -0.000 0.000 0.329 259 F C -2.592 173.042 175.800 -0.276 0.000 1.245 259 F CA -3.734 54.145 58.000 -0.202 0.000 1.193 259 F CB 0.430 39.283 39.000 -0.246 0.000 1.425 259 F HN -0.023 nan 8.300 nan 0.000 0.544 260 P HA 0.093 nan 4.420 nan 0.000 0.268 260 P C -0.160 177.090 177.300 -0.083 0.000 1.205 260 P CA 0.266 63.273 63.100 -0.155 0.000 0.771 260 P CB 1.786 33.364 31.700 -0.202 0.000 0.858 261 S N 2.364 118.025 115.700 -0.065 0.000 2.572 261 S HA 0.543 5.013 4.470 -0.000 0.000 0.274 261 S C -2.598 171.996 174.600 -0.011 0.000 1.150 261 S CA -1.151 57.028 58.200 -0.036 0.000 0.944 261 S CB 0.730 63.786 63.200 -0.240 0.000 1.071 261 S HN 0.323 nan 8.310 nan 0.000 0.479 262 P HA 0.511 nan 4.420 nan 0.000 0.274 262 P C -0.900 176.552 177.300 0.253 0.000 1.256 262 P CA -0.258 62.928 63.100 0.143 0.000 0.795 262 P CB 0.226 31.972 31.700 0.077 0.000 1.038 263 F N -2.578 117.414 119.950 0.070 0.000 2.692 263 F HA 0.592 5.119 4.527 -0.000 0.000 0.320 263 F C -0.977 174.932 175.800 0.182 0.000 1.123 263 F CA -1.362 56.702 58.000 0.106 0.000 0.961 263 F CB 0.564 39.655 39.000 0.152 0.000 1.383 263 F HN 0.113 nan 8.300 nan 0.000 0.483 264 S N 2.078 117.770 115.700 -0.014 0.000 2.452 264 S HA 0.408 4.878 4.470 -0.000 0.000 0.284 264 S C -0.560 173.881 174.600 -0.266 0.000 1.171 264 S CA -0.418 57.719 58.200 -0.105 0.000 1.064 264 S CB 0.802 64.036 63.200 0.057 0.000 0.967 264 S HN 0.644 nan 8.310 nan 0.000 0.484 265 L N 5.878 126.866 121.223 -0.392 0.000 2.536 265 L HA 0.258 4.598 4.340 -0.000 0.000 0.282 265 L C 0.595 177.416 176.870 -0.082 0.000 1.147 265 L CA 0.642 55.269 54.840 -0.356 0.000 0.936 265 L CB -0.976 40.765 42.059 -0.530 0.000 1.279 265 L HN 0.822 nan 8.230 nan 0.000 0.461 266 T N -0.210 114.352 114.554 0.014 0.000 2.864 266 T HA 0.433 4.783 4.350 -0.000 0.000 0.289 266 T C 1.093 175.784 174.700 -0.014 0.000 1.082 266 T CA -0.519 61.587 62.100 0.009 0.000 1.009 266 T CB 1.060 69.950 68.868 0.037 0.000 1.234 266 T HN -0.042 nan 8.240 nan 0.000 0.526 267 V N 0.789 120.651 119.914 -0.087 0.000 2.343 267 V HA -0.099 4.021 4.120 -0.000 0.000 0.247 267 V C 2.527 178.534 176.094 -0.146 0.000 1.051 267 V CA 2.483 64.713 62.300 -0.117 0.000 1.036 267 V CB -1.040 30.672 31.823 -0.186 0.000 0.654 267 V HN 1.105 nan 8.190 nan 0.000 0.451 268 D N 0.433 120.689 120.400 -0.239 0.000 2.149 268 D HA -0.168 4.472 4.640 -0.000 0.000 0.198 268 D C 2.074 178.448 176.300 0.123 0.000 0.990 268 D CA 1.527 55.486 54.000 -0.069 0.000 0.839 268 D CB -0.130 40.699 40.800 0.048 0.000 0.948 268 D HN 0.374 nan 8.370 nan 0.000 0.460 269 A N 0.603 123.478 122.820 0.091 0.000 1.877 269 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 269 A C 2.454 179.913 177.584 -0.208 0.000 1.186 269 A CA 2.368 54.351 52.037 -0.090 0.000 0.620 269 A CB -1.305 17.793 19.000 0.164 0.000 0.822 269 A HN 0.361 nan 8.150 nan 0.000 0.443 270 A N -0.648 122.151 122.820 -0.036 0.000 1.883 270 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 270 A C 2.262 179.940 177.584 0.155 0.000 1.186 270 A CA 1.927 53.988 52.037 0.040 0.000 0.624 270 A CB -1.047 17.984 19.000 0.050 0.000 0.822 270 A HN 0.419 nan 8.150 nan 0.000 0.444 271 V N 0.092 120.081 119.914 0.126 0.000 2.295 271 V HA -0.265 3.854 4.120 -0.000 0.000 0.246 271 V C 2.723 178.954 176.094 0.229 0.000 1.049 271 V CA 2.072 64.488 62.300 0.194 0.000 1.024 271 V CB -0.775 31.232 31.823 0.307 0.000 0.648 271 V HN 0.552 nan 8.190 nan 0.000 0.447 272 Q N -0.292 119.623 119.800 0.192 0.000 2.170 272 Q HA -0.224 4.116 4.340 -0.000 0.000 0.203 272 Q C 2.228 178.312 176.000 0.141 0.000 0.976 272 Q CA 1.514 57.431 55.803 0.190 0.000 0.858 272 Q CB -0.378 28.523 28.738 0.273 0.000 0.907 272 Q HN 0.715 nan 8.270 nan 0.000 0.433 273 Q N -0.715 119.087 119.800 0.003 0.000 2.167 273 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 273 Q C 1.759 177.919 176.000 0.267 0.000 0.970 273 Q CA 1.127 56.963 55.803 0.054 0.000 0.855 273 Q CB -0.100 28.518 28.738 -0.198 0.000 0.911 273 Q HN 0.538 nan 8.270 nan 0.000 0.438 274 H N -0.029 119.153 119.070 0.188 0.000 2.357 274 H HA -0.027 4.529 4.556 -0.000 0.000 0.301 274 H C 1.707 177.122 175.328 0.147 0.000 1.082 274 H CA 1.083 57.245 56.048 0.190 0.000 1.342 274 H CB 0.050 29.901 29.762 0.149 0.000 1.389 274 H HN 0.114 nan 8.280 nan 0.000 0.511 275 L N -0.293 121.082 121.223 0.252 0.000 2.376 275 L HA -0.086 4.254 4.340 -0.000 0.000 0.219 275 L C 1.835 178.792 176.870 0.146 0.000 1.133 275 L CA 0.584 55.528 54.840 0.172 0.000 0.816 275 L CB -0.232 41.918 42.059 0.151 0.000 0.933 275 L HN 0.362 nan 8.230 nan 0.000 0.449 276 M N -1.178 118.531 119.600 0.183 0.000 2.476 276 M HA -0.041 4.439 4.480 -0.000 0.000 0.262 276 M C 0.367 176.762 176.300 0.157 0.000 1.079 276 M CA 0.821 56.224 55.300 0.172 0.000 1.104 276 M CB 0.057 32.806 32.600 0.247 0.000 1.409 276 M HN 0.141 nan 8.290 nan 0.000 0.467 277 M N 1.066 120.738 119.600 0.120 0.000 2.180 277 M HA 0.170 4.649 4.480 -0.000 0.000 0.358 277 M C 0.079 176.409 176.300 0.050 0.000 1.233 277 M CA -0.120 55.212 55.300 0.054 0.000 1.114 277 M CB 0.598 33.127 32.600 -0.118 0.000 1.594 277 M HN 0.078 nan 8.290 nan 0.000 0.467 278 E N 0.938 121.169 120.200 0.052 0.000 2.392 278 E HA 0.311 4.661 4.350 -0.000 0.000 0.264 278 E C 0.928 177.549 176.600 0.035 0.000 1.024 278 E CA 0.884 57.309 56.400 0.041 0.000 0.903 278 E CB 0.465 30.189 29.700 0.038 0.000 0.963 278 E HN 0.914 nan 8.360 nan 0.000 0.432 279 G N 2.585 111.406 108.800 0.034 0.000 2.157 279 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.248 279 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.248 279 G C -0.135 174.786 174.900 0.036 0.000 0.979 279 G CA 0.117 45.236 45.100 0.030 0.000 0.650 279 G HN 0.481 nan 8.290 nan 0.000 0.529 280 V N 3.213 123.157 119.914 0.049 0.000 2.293 280 V HA 0.459 4.578 4.120 -0.000 0.000 0.275 280 V C -1.492 174.647 176.094 0.075 0.000 1.021 280 V CA -1.402 60.942 62.300 0.073 0.000 0.815 280 V CB 1.507 33.390 31.823 0.100 0.000 1.025 280 V HN 0.273 nan 8.190 nan 0.000 0.448 281 P HA 0.174 nan 4.420 nan 0.000 0.276 281 P C 1.006 178.346 177.300 0.067 0.000 1.230 281 P CA -0.118 63.013 63.100 0.051 0.000 0.776 281 P CB 1.536 33.253 31.700 0.029 0.000 0.888 282 S N 2.792 118.530 115.700 0.063 0.000 2.383 282 S HA -0.194 4.276 4.470 -0.000 0.000 0.229 282 S C 1.880 176.525 174.600 0.075 0.000 1.030 282 S CA 1.038 59.281 58.200 0.071 0.000 1.002 282 S CB -1.244 61.987 63.200 0.053 0.000 0.829 282 S HN 0.509 nan 8.310 nan 0.000 0.467 283 A N 1.592 124.449 122.820 0.062 0.000 2.125 283 A HA 0.032 4.352 4.320 -0.000 0.000 0.219 283 A C 2.148 179.804 177.584 0.120 0.000 1.156 283 A CA 1.212 53.294 52.037 0.076 0.000 0.671 283 A CB -0.425 18.602 19.000 0.045 0.000 0.794 283 A HN 0.617 nan 8.150 nan 0.000 0.459 284 K N -0.767 119.690 120.400 0.096 0.000 2.393 284 K HA 0.261 4.581 4.320 -0.000 0.000 0.193 284 K C -0.304 176.421 176.600 0.207 0.000 1.026 284 K CA 0.009 56.368 56.287 0.119 0.000 1.064 284 K CB 0.202 32.723 32.500 0.034 0.000 0.833 284 K HN 0.459 nan 8.250 nan 0.000 0.521 285 I N 2.017 122.677 120.570 0.150 0.000 2.371 285 I HA 0.067 4.237 4.170 -0.000 0.000 0.290 285 I C -0.344 175.831 176.117 0.096 0.000 1.028 285 I CA -0.526 60.835 61.300 0.101 0.000 1.345 285 I CB 1.283 39.324 38.000 0.068 0.000 1.407 285 I HN -0.284 nan 8.210 nan 0.000 0.501 286 V N 7.502 127.452 119.914 0.061 0.000 2.495 286 V HA 0.313 4.433 4.120 -0.000 0.000 0.298 286 V C 0.088 176.210 176.094 0.046 0.000 1.031 286 V CA -0.689 61.620 62.300 0.015 0.000 0.871 286 V CB 1.886 33.653 31.823 -0.093 0.000 0.988 286 V HN 0.695 nan 8.190 nan 0.000 0.432 287 M N 4.375 124.025 119.600 0.084 0.000 2.143 287 M HA 0.488 4.968 4.480 -0.000 0.000 0.348 287 M C 0.545 176.938 176.300 0.155 0.000 1.375 287 M CA -0.124 55.246 55.300 0.116 0.000 1.124 287 M CB 0.383 33.071 32.600 0.147 0.000 1.669 287 M HN 0.807 nan 8.290 nan 0.000 0.469 288 G N 4.092 113.016 108.800 0.206 0.000 2.444 288 G HA2 0.534 4.494 3.960 -0.000 0.000 0.268 288 G HA3 0.534 4.494 3.960 -0.000 0.000 0.268 288 G C -0.843 174.323 174.900 0.443 0.000 1.203 288 G CA -0.531 44.797 45.100 0.379 0.000 0.835 288 G HN 0.812 nan 8.290 nan 0.000 0.543 289 V N -0.643 119.476 119.914 0.342 0.000 2.925 289 V HA 0.870 4.990 4.120 -0.000 0.000 0.311 289 V C -2.738 173.315 176.094 -0.069 0.000 1.104 289 V CA -2.682 59.749 62.300 0.218 0.000 0.954 289 V CB 2.641 34.535 31.823 0.119 0.000 1.022 289 V HN 0.652 nan 8.190 nan 0.000 0.427 290 P HA 0.447 nan 4.420 nan 0.000 0.294 290 P C -0.777 176.642 177.300 0.199 0.000 1.294 290 P CA -0.277 62.584 63.100 -0.400 0.000 0.827 290 P CB 1.428 32.613 31.700 -0.858 0.000 0.992 291 F N 2.357 122.307 119.950 0.000 0.000 2.660 291 F HA 0.224 4.751 4.527 -0.000 0.000 0.297 291 F C 0.424 176.292 175.800 0.113 0.000 1.132 291 F CA -0.517 57.508 58.000 0.042 0.000 1.372 291 F CB -0.723 38.278 39.000 0.001 0.000 1.003 291 F HN 0.252 nan 8.300 nan 0.000 0.524 292 Y N -2.643 117.790 120.300 0.222 0.000 2.615 292 Y HA 0.856 5.406 4.550 -0.000 0.000 0.341 292 Y C -0.157 175.834 175.900 0.151 0.000 1.089 292 Y CA -2.251 55.931 58.100 0.138 0.000 1.049 292 Y CB 0.853 39.384 38.460 0.117 0.000 1.296 292 Y HN -0.120 nan 8.280 nan 0.000 0.470 293 G N 0.988 109.913 108.800 0.208 0.000 2.511 293 G HA2 0.688 4.648 3.960 -0.000 0.000 0.318 293 G HA3 0.688 4.648 3.960 -0.000 0.000 0.318 293 G C -1.520 173.508 174.900 0.213 0.000 1.210 293 G CA -1.551 43.640 45.100 0.152 0.000 0.969 293 G HN 0.660 nan 8.290 nan 0.000 0.484 294 R N -0.126 120.471 120.500 0.162 0.000 2.387 294 R HA 0.612 4.951 4.340 -0.000 0.000 0.314 294 R C -0.397 175.945 176.300 0.071 0.000 0.958 294 R CA -0.458 55.699 56.100 0.096 0.000 0.846 294 R CB 2.002 32.355 30.300 0.088 0.000 1.147 294 R HN 0.603 nan 8.270 nan 0.000 0.447 295 A N 3.562 126.374 122.820 -0.012 0.000 2.324 295 A HA 0.753 5.073 4.320 -0.000 0.000 0.330 295 A C -1.117 176.586 177.584 0.197 0.000 1.165 295 A CA -0.455 51.689 52.037 0.178 0.000 0.813 295 A CB 0.610 19.701 19.000 0.152 0.000 1.197 295 A HN 0.556 nan 8.150 nan 0.000 0.484 296 F N 0.768 120.903 119.950 0.308 0.000 2.563 296 F HA 0.592 5.118 4.527 -0.000 0.000 0.316 296 F C 0.509 176.314 175.800 0.009 0.000 1.076 296 F CA -0.557 57.529 58.000 0.144 0.000 0.921 296 F CB 2.399 41.398 39.000 -0.002 0.000 1.209 296 F HN 0.711 nan 8.300 nan 0.000 0.462 297 K N -0.425 119.862 120.400 -0.189 0.000 2.306 297 K HA 0.817 5.137 4.320 -0.000 0.000 0.236 297 K C 0.424 176.940 176.600 -0.140 0.000 1.013 297 K CA -0.673 55.356 56.287 -0.429 0.000 0.857 297 K CB 1.859 33.574 32.500 -1.309 0.000 1.214 297 K HN 0.886 nan 8.250 nan 0.000 0.449 298 G N -0.198 108.529 108.800 -0.123 0.000 2.176 298 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.252 298 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.252 298 G C 0.016 174.935 174.900 0.031 0.000 1.024 298 G CA 0.243 45.317 45.100 -0.045 0.000 0.755 298 G HN 0.942 nan 8.290 nan 0.000 0.507 299 V N -1.602 118.358 119.914 0.076 0.000 2.863 299 V HA 0.940 5.060 4.120 -0.000 0.000 0.307 299 V C 0.570 176.723 176.094 0.098 0.000 1.061 299 V CA 0.101 62.451 62.300 0.082 0.000 1.024 299 V CB 1.716 33.601 31.823 0.104 0.000 1.049 299 V HN 1.359 nan 8.190 nan 0.000 0.471 300 S N 1.799 117.528 115.700 0.049 0.000 2.704 300 S HA 0.868 5.338 4.470 -0.000 0.000 0.305 300 S C 0.266 174.894 174.600 0.047 0.000 1.107 300 S CA -0.191 58.046 58.200 0.062 0.000 0.993 300 S CB 1.228 64.436 63.200 0.014 0.000 1.110 300 S HN 1.592 nan 8.310 nan 0.000 0.534 301 G N -1.284 107.561 108.800 0.073 0.000 2.588 301 G HA2 0.531 4.491 3.960 -0.000 0.000 0.281 301 G HA3 0.531 4.491 3.960 -0.000 0.000 0.281 301 G C 0.883 175.745 174.900 -0.064 0.000 1.236 301 G CA -0.342 44.767 45.100 0.015 0.000 0.969 301 G HN 1.984 nan 8.290 nan 0.000 0.504 302 G N -1.022 107.724 108.800 -0.090 0.000 2.352 302 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.204 302 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.204 302 G C 0.500 175.338 174.900 -0.105 0.000 1.004 302 G CA 0.510 45.568 45.100 -0.071 0.000 0.648 302 G HN 0.951 nan 8.290 nan 0.000 0.491 303 N N -0.173 118.408 118.700 -0.198 0.000 2.471 303 N HA 0.424 5.164 4.740 -0.000 0.000 0.270 303 N C 1.158 176.484 175.510 -0.307 0.000 1.490 303 N CA 0.614 53.539 53.050 -0.208 0.000 0.850 303 N CB 0.109 38.474 38.487 -0.204 0.000 1.411 303 N HN 1.281 nan 8.380 nan 0.000 0.488 304 G N 0.315 108.838 108.800 -0.461 0.000 2.258 304 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.274 304 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.274 304 G C 0.952 175.478 174.900 -0.623 0.000 1.021 304 G CA 0.527 45.226 45.100 -0.669 0.000 0.798 304 G HN 0.882 nan 8.290 nan 0.000 0.507 305 G N -1.979 106.412 108.800 -0.682 0.000 2.234 305 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.235 305 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.235 305 G C 0.395 174.745 174.900 -0.916 0.000 0.997 305 G CA 0.765 45.663 45.100 -0.335 0.000 0.623 305 G HN 1.184 nan 8.290 nan 0.000 0.514 306 Q N -0.365 118.813 119.800 -1.036 0.000 2.337 306 Q HA 0.442 4.782 4.340 -0.000 0.000 0.270 306 Q C 0.374 175.719 176.000 -1.092 0.000 1.002 306 Q CA -0.195 54.685 55.803 -1.538 0.000 0.888 306 Q CB 0.216 27.932 28.738 -1.703 0.000 1.222 306 Q HN 0.686 nan 8.270 nan 0.000 0.400 307 Y N -1.306 118.604 120.300 -0.651 0.000 3.389 307 Y HA -0.262 4.288 4.550 -0.000 0.000 0.213 307 Y C 0.003 175.707 175.900 -0.326 0.000 1.272 307 Y CA 0.725 58.580 58.100 -0.407 0.000 1.444 307 Y CB -2.345 35.943 38.460 -0.286 0.000 1.445 307 Y HN 0.489 nan 8.280 nan 0.000 0.583 308 S N -0.213 115.320 115.700 -0.279 0.000 2.607 308 S HA 0.819 5.289 4.470 -0.000 0.000 0.303 308 S C 0.386 174.920 174.600 -0.110 0.000 1.086 308 S CA -0.098 57.991 58.200 -0.185 0.000 0.995 308 S CB 1.379 64.449 63.200 -0.216 0.000 1.084 308 S HN 0.566 nan 8.310 nan 0.000 0.507 309 S N 1.694 117.356 115.700 -0.064 0.000 2.608 309 S HA 0.574 5.044 4.470 -0.000 0.000 0.261 309 S C -0.234 174.373 174.600 0.012 0.000 1.314 309 S CA -0.121 58.049 58.200 -0.050 0.000 0.992 309 S CB 0.045 63.196 63.200 -0.081 0.000 0.935 309 S HN 1.115 nan 8.310 nan 0.000 0.564 310 H N -2.570 116.480 119.070 -0.034 0.000 2.933 310 H HA 0.678 5.234 4.556 -0.000 0.000 0.310 310 H C -0.758 174.571 175.328 0.002 0.000 1.351 310 H CA -0.508 55.538 56.048 -0.003 0.000 1.137 310 H CB 0.860 30.674 29.762 0.087 0.000 1.853 310 H HN 0.577 nan 8.280 nan 0.000 0.539 311 S N -0.447 115.284 115.700 0.052 0.000 2.668 311 S HA 0.272 4.742 4.470 -0.000 0.000 0.244 311 S C -0.719 173.926 174.600 0.074 0.000 1.140 311 S CA -0.480 57.705 58.200 -0.025 0.000 1.134 311 S CB -0.633 62.525 63.200 -0.070 0.000 0.954 311 S HN 0.658 nan 8.310 nan 0.000 0.490 312 T N 4.506 119.276 114.554 0.359 0.000 2.771 312 T HA 0.460 4.810 4.350 -0.000 0.000 0.291 312 T C -2.747 172.123 174.700 0.284 0.000 0.954 312 T CA -1.273 61.006 62.100 0.298 0.000 1.045 312 T CB 0.865 69.883 68.868 0.251 0.000 0.917 312 T HN 0.183 nan 8.240 nan 0.000 0.484 313 P HA 0.215 nan 4.420 nan 0.000 0.268 313 P C 0.871 178.320 177.300 0.249 0.000 1.204 313 P CA -0.110 63.127 63.100 0.228 0.000 0.768 313 P CB 0.487 32.321 31.700 0.223 0.000 0.842 314 G N 1.713 110.644 108.800 0.219 0.000 2.986 314 G HA2 0.006 3.966 3.960 -0.000 0.000 0.213 314 G HA3 0.006 3.966 3.960 -0.000 0.000 0.213 314 G C 0.185 175.236 174.900 0.252 0.000 1.156 314 G CA 0.035 45.291 45.100 0.260 0.000 0.763 314 G HN 0.404 nan 8.290 nan 0.000 0.547 315 E N 1.166 121.482 120.200 0.194 0.000 2.390 315 E HA 0.361 4.711 4.350 -0.000 0.000 0.261 315 E C -0.677 176.027 176.600 0.172 0.000 1.076 315 E CA 0.228 56.724 56.400 0.160 0.000 0.905 315 E CB 0.891 30.657 29.700 0.109 0.000 0.984 315 E HN 0.052 nan 8.360 nan 0.000 0.427 316 D N 2.317 122.808 120.400 0.151 0.000 2.629 316 D HA 0.266 4.906 4.640 -0.000 0.000 0.250 316 D C -1.923 174.454 176.300 0.128 0.000 1.126 316 D CA -1.144 52.946 54.000 0.149 0.000 0.852 316 D CB 1.353 42.245 40.800 0.153 0.000 1.335 316 D HN 0.329 nan 8.370 nan 0.000 0.518 317 P HA 0.088 nan 4.420 nan 0.000 0.275 317 P C -0.381 177.022 177.300 0.171 0.000 1.266 317 P CA -0.479 62.704 63.100 0.137 0.000 0.793 317 P CB 0.713 32.483 31.700 0.115 0.000 1.074 318 Y N 2.474 122.821 120.300 0.078 0.000 2.802 318 Y HA 0.019 4.569 4.550 -0.000 0.000 0.351 318 Y C -1.041 174.921 175.900 0.103 0.000 1.237 318 Y CA -1.465 56.695 58.100 0.099 0.000 1.599 318 Y CB 0.230 38.750 38.460 0.100 0.000 1.214 318 Y HN 0.233 nan 8.280 nan 0.000 0.520 319 P HA -0.021 nan 4.420 nan 0.000 0.269 319 P C -0.470 176.615 177.300 -0.359 0.000 1.461 319 P CA 0.568 63.530 63.100 -0.230 0.000 0.809 319 P CB 0.150 31.785 31.700 -0.108 0.000 1.503 320 S N -1.906 113.406 115.700 -0.647 0.000 2.688 320 S HA 0.435 4.905 4.470 -0.000 0.000 0.275 320 S C 0.050 174.507 174.600 -0.238 0.000 1.175 320 S CA -0.233 57.695 58.200 -0.452 0.000 0.818 320 S CB 1.365 64.279 63.200 -0.476 0.000 1.157 320 S HN -0.115 nan 8.310 nan 0.000 0.482 321 T N 0.616 115.084 114.554 -0.143 0.000 3.091 321 T HA 0.293 4.643 4.350 -0.000 0.000 0.277 321 T C -0.654 173.687 174.700 -0.598 0.000 0.996 321 T CA -0.084 61.852 62.100 -0.274 0.000 0.897 321 T CB -0.379 68.380 68.868 -0.181 0.000 1.109 321 T HN 0.517 nan 8.240 nan 0.000 0.534 322 D N 1.731 122.031 120.400 -0.166 0.000 2.422 322 D HA 0.119 4.759 4.640 -0.000 0.000 0.227 322 D C -0.895 175.432 176.300 0.043 0.000 1.190 322 D CA -0.441 53.535 54.000 -0.040 0.000 0.905 322 D CB -0.109 40.821 40.800 0.217 0.000 1.034 322 D HN 0.253 nan 8.370 nan 0.000 0.507 323 Y N 4.545 124.873 120.300 0.046 0.000 2.636 323 Y HA 0.133 4.683 4.550 -0.000 0.000 0.341 323 Y C 0.889 176.669 175.900 -0.200 0.000 1.169 323 Y CA -1.239 56.723 58.100 -0.230 0.000 1.498 323 Y CB -0.378 37.974 38.460 -0.181 0.000 1.362 323 Y HN 0.521 nan 8.280 nan 0.000 0.494 324 W N 1.288 122.642 121.300 0.091 0.000 3.256 324 W HA 0.234 4.894 4.660 -0.000 0.000 0.269 324 W C -0.606 175.904 176.519 -0.014 0.000 1.310 324 W CA -0.490 56.871 57.345 0.027 0.000 1.673 324 W CB -0.001 29.478 29.460 0.032 0.000 1.115 324 W HN 0.305 nan 8.180 nan 0.000 0.686 325 L N 3.265 124.367 121.223 -0.203 0.000 2.356 325 L HA 0.255 4.595 4.340 -0.000 0.000 0.282 325 L C 0.258 177.102 176.870 -0.043 0.000 1.132 325 L CA -0.779 54.017 54.840 -0.072 0.000 0.923 325 L CB 0.202 42.059 42.059 -0.336 0.000 1.278 325 L HN -0.198 nan 8.230 nan 0.000 0.436 326 V N 5.918 125.851 119.914 0.032 0.000 2.584 326 V HA 0.236 4.356 4.120 -0.000 0.000 0.303 326 V C 1.578 177.540 176.094 -0.220 0.000 1.035 326 V CA 1.152 63.418 62.300 -0.057 0.000 1.172 326 V CB -0.133 31.646 31.823 -0.075 0.000 0.896 326 V HN 1.063 nan 8.190 nan 0.000 0.486 327 G N 2.955 111.452 108.800 -0.505 0.000 2.241 327 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.244 327 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.244 327 G C 0.568 175.169 174.900 -0.498 0.000 0.998 327 G CA 0.030 44.515 45.100 -1.025 0.000 0.621 327 G HN 1.036 nan 8.290 nan 0.000 0.519 328 C N 2.473 121.574 119.300 -0.331 0.000 2.311 328 C HA 0.583 5.043 4.460 -0.000 0.000 0.357 328 C C 1.882 176.740 174.990 -0.220 0.000 1.086 328 C CA 0.277 59.133 59.018 -0.271 0.000 1.486 328 C CB -1.229 26.343 27.740 -0.279 0.000 1.974 328 C HN 0.550 nan 8.230 nan 0.000 0.508 329 E N 1.569 121.663 120.200 -0.177 0.000 2.106 329 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 329 E C 1.751 178.261 176.600 -0.151 0.000 0.984 329 E CA 1.350 57.669 56.400 -0.134 0.000 0.806 329 E CB 0.128 29.777 29.700 -0.086 0.000 0.750 329 E HN 0.797 nan 8.360 nan 0.000 0.458 330 E N 0.175 120.283 120.200 -0.154 0.000 2.204 330 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 330 E C 2.078 178.554 176.600 -0.208 0.000 0.990 330 E CA 0.783 57.094 56.400 -0.149 0.000 0.821 330 E CB -0.124 29.501 29.700 -0.124 0.000 0.750 330 E HN 0.279 nan 8.360 nan 0.000 0.477 331 C N 0.162 119.304 119.300 -0.264 0.000 2.435 331 C HA -0.067 4.393 4.460 -0.000 0.000 0.279 331 C C 2.634 177.312 174.990 -0.519 0.000 1.321 331 C CA 0.220 59.016 59.018 -0.369 0.000 1.752 331 C CB -0.613 26.887 27.740 -0.401 0.000 1.959 331 C HN 0.261 nan 8.230 nan 0.000 0.500 332 V N 0.844 120.492 119.914 -0.442 0.000 2.407 332 V HA -0.149 3.971 4.120 -0.000 0.000 0.245 332 V C 2.671 178.529 176.094 -0.393 0.000 1.041 332 V CA 1.791 63.764 62.300 -0.544 0.000 1.040 332 V CB -0.749 30.937 31.823 -0.229 0.000 0.671 332 V HN 0.491 nan 8.190 nan 0.000 0.455 333 R N 0.517 120.875 120.500 -0.238 0.000 2.096 333 R HA -0.207 4.133 4.340 -0.000 0.000 0.240 333 R C 1.505 177.708 176.300 -0.161 0.000 1.139 333 R CA 2.200 58.209 56.100 -0.152 0.000 0.952 333 R CB -0.256 29.982 30.300 -0.103 0.000 0.854 333 R HN 0.486 nan 8.270 nan 0.000 0.436 334 D N 0.330 120.608 120.400 -0.203 0.000 2.339 334 D HA 0.025 4.665 4.640 -0.000 0.000 0.217 334 D C -0.171 175.999 176.300 -0.216 0.000 1.050 334 D CA 0.217 54.117 54.000 -0.165 0.000 0.856 334 D CB 0.271 40.992 40.800 -0.132 0.000 0.922 334 D HN 0.191 nan 8.370 nan 0.000 0.518 335 K N 1.161 121.323 120.400 -0.397 0.000 3.156 335 K HA -0.188 4.132 4.320 -0.000 0.000 0.266 335 K C -0.524 175.935 176.600 -0.234 0.000 0.966 335 K CA 0.588 56.604 56.287 -0.452 0.000 0.719 335 K CB -1.055 31.418 32.500 -0.045 0.000 1.333 335 K HN 0.113 nan 8.250 nan 0.000 0.468 336 D N -0.760 119.371 120.400 -0.448 0.000 2.738 336 D HA 0.115 4.755 4.640 -0.000 0.000 0.218 336 D C -2.386 173.528 176.300 -0.643 0.000 1.345 336 D CA -1.542 52.147 54.000 -0.519 0.000 0.943 336 D CB 1.628 42.270 40.800 -0.264 0.000 1.514 336 D HN -0.139 nan 8.370 nan 0.000 0.585 337 P HA 0.186 nan 4.420 nan 0.000 0.261 337 P C 0.667 177.456 177.300 -0.851 0.000 1.268 337 P CA -0.029 62.479 63.100 -0.987 0.000 0.833 337 P CB 0.504 31.248 31.700 -1.593 0.000 1.231 338 R N -0.563 119.602 120.500 -0.557 0.000 2.297 338 R HA 0.227 4.566 4.340 -0.000 0.000 0.197 338 R C 0.537 176.727 176.300 -0.183 0.000 0.943 338 R CA 0.364 56.300 56.100 -0.273 0.000 1.038 338 R CB 0.202 30.414 30.300 -0.147 0.000 0.957 338 R HN 0.161 nan 8.270 nan 0.000 0.484 339 I N 0.281 120.735 120.570 -0.194 0.000 2.569 339 I HA 0.454 4.624 4.170 -0.000 0.000 0.290 339 I C -0.909 175.142 176.117 -0.110 0.000 1.088 339 I CA -0.979 60.270 61.300 -0.085 0.000 1.047 339 I CB 1.909 39.846 38.000 -0.104 0.000 1.237 339 I HN -0.128 nan 8.210 nan 0.000 0.421 340 A N 4.234 127.033 122.820 -0.036 0.000 2.408 340 A HA 0.663 4.983 4.320 -0.000 0.000 0.295 340 A C -0.034 177.541 177.584 -0.015 0.000 1.040 340 A CA -0.518 51.461 52.037 -0.096 0.000 0.707 340 A CB 1.475 20.361 19.000 -0.190 0.000 1.235 340 A HN 0.771 nan 8.150 nan 0.000 0.418 341 S N 1.671 117.349 115.700 -0.035 0.000 2.573 341 S HA 0.140 4.610 4.470 -0.000 0.000 0.277 341 S C 0.898 175.467 174.600 -0.051 0.000 1.346 341 S CA 0.375 58.579 58.200 0.007 0.000 1.034 341 S CB 0.079 63.242 63.200 -0.060 0.000 0.879 341 S HN 1.185 nan 8.310 nan 0.000 0.528 342 Y N 2.537 122.780 120.300 -0.094 0.000 2.207 342 Y HA -0.191 4.359 4.550 -0.000 0.000 0.287 342 Y C 2.676 178.467 175.900 -0.182 0.000 1.156 342 Y CA 2.148 60.147 58.100 -0.169 0.000 1.182 342 Y CB -0.372 37.959 38.460 -0.215 0.000 0.979 342 Y HN 0.855 nan 8.280 nan 0.000 0.521 343 R N -0.045 120.334 120.500 -0.203 0.000 2.094 343 R HA -0.303 4.037 4.340 -0.000 0.000 0.239 343 R C 2.356 178.482 176.300 -0.291 0.000 1.137 343 R CA 2.245 58.210 56.100 -0.225 0.000 0.943 343 R CB -0.422 29.822 30.300 -0.094 0.000 0.850 343 R HN 0.420 nan 8.270 nan 0.000 0.433 344 Q N 0.550 120.201 119.800 -0.248 0.000 2.079 344 Q HA -0.062 4.278 4.340 -0.000 0.000 0.200 344 Q C 2.124 177.923 176.000 -0.334 0.000 0.974 344 Q CA 1.574 57.230 55.803 -0.244 0.000 0.840 344 Q CB -0.206 28.407 28.738 -0.208 0.000 0.898 344 Q HN 0.475 nan 8.270 nan 0.000 0.430 345 L N 0.228 121.188 121.223 -0.438 0.000 2.046 345 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 345 L C 2.515 179.064 176.870 -0.535 0.000 1.077 345 L CA 1.800 56.308 54.840 -0.554 0.000 0.747 345 L CB -0.544 41.088 42.059 -0.711 0.000 0.896 345 L HN 0.417 nan 8.230 nan 0.000 0.432 346 E N 0.049 119.866 120.200 -0.638 0.000 2.077 346 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 346 E C 2.183 178.620 176.600 -0.273 0.000 0.989 346 E CA 1.281 57.372 56.400 -0.515 0.000 0.800 346 E CB 0.080 29.380 29.700 -0.668 0.000 0.746 346 E HN 0.543 nan 8.360 nan 0.000 0.452 347 Q N -0.388 119.273 119.800 -0.232 0.000 2.119 347 Q HA -0.123 4.217 4.340 -0.000 0.000 0.201 347 Q C 2.192 178.188 176.000 -0.007 0.000 0.972 347 Q CA 1.392 57.136 55.803 -0.099 0.000 0.847 347 Q CB -0.046 28.644 28.738 -0.079 0.000 0.903 347 Q HN 0.358 nan 8.270 nan 0.000 0.433 348 M N 0.193 119.742 119.600 -0.084 0.000 2.159 348 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 348 M C 2.024 178.423 176.300 0.165 0.000 1.063 348 M CA 1.316 56.636 55.300 0.034 0.000 1.110 348 M CB -0.106 32.305 32.600 -0.315 0.000 1.374 348 M HN 0.204 nan 8.290 nan 0.000 0.411 349 L N 0.174 121.378 121.223 -0.031 0.000 2.083 349 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 349 L C 2.399 179.292 176.870 0.039 0.000 1.083 349 L CA 1.300 56.148 54.840 0.014 0.000 0.752 349 L CB -0.459 41.561 42.059 -0.066 0.000 0.899 349 L HN 0.483 nan 8.230 nan 0.000 0.433 350 Q N -1.119 118.687 119.800 0.010 0.000 2.320 350 Q HA 0.060 4.400 4.340 -0.000 0.000 0.201 350 Q C 1.295 177.285 176.000 -0.017 0.000 0.910 350 Q CA 0.630 56.430 55.803 -0.005 0.000 0.946 350 Q CB 0.152 28.876 28.738 -0.023 0.000 1.062 350 Q HN 0.325 nan 8.270 nan 0.000 0.503 351 G N 1.560 110.365 108.800 0.009 0.000 3.233 351 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.234 351 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.234 351 G C 0.186 174.796 174.900 -0.482 0.000 1.137 351 G CA -0.461 44.517 45.100 -0.204 0.000 0.763 351 G HN 0.551 nan 8.290 nan 0.000 0.549 352 N N -0.610 117.971 118.700 -0.198 0.000 2.671 352 N HA -0.217 4.523 4.740 -0.000 0.000 0.261 352 N C -0.367 175.004 175.510 -0.233 0.000 1.053 352 N CA 0.195 53.142 53.050 -0.172 0.000 0.732 352 N CB -0.655 37.726 38.487 -0.177 0.000 0.887 352 N HN 0.411 nan 8.380 nan 0.000 0.546 353 Y N -0.501 119.842 120.300 0.072 0.000 2.507 353 Y HA 0.313 4.863 4.550 -0.000 0.000 0.254 353 Y C 1.840 177.693 175.900 -0.079 0.000 1.171 353 Y CA 0.671 58.814 58.100 0.071 0.000 1.238 353 Y CB 0.736 39.337 38.460 0.234 0.000 1.148 353 Y HN 0.476 nan 8.280 nan 0.000 0.525 354 G N -1.031 107.728 108.800 -0.068 0.000 2.159 354 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.227 354 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.227 354 G C -0.366 174.179 174.900 -0.591 0.000 0.986 354 G CA -0.576 44.261 45.100 -0.438 0.000 0.651 354 G HN 0.229 nan 8.290 nan 0.000 0.523 355 Y N 1.228 121.498 120.300 -0.050 0.000 2.308 355 Y HA 0.596 5.146 4.550 -0.000 0.000 0.329 355 Y C 0.940 176.829 175.900 -0.017 0.000 1.111 355 Y CA -0.231 57.866 58.100 -0.005 0.000 1.179 355 Y CB 1.014 39.521 38.460 0.080 0.000 1.201 355 Y HN 0.221 nan 8.280 nan 0.000 0.483 356 Q N 2.947 122.842 119.800 0.159 0.000 2.316 356 Q HA 0.408 4.748 4.340 -0.000 0.000 0.264 356 Q C -0.602 175.466 176.000 0.113 0.000 0.987 356 Q CA -1.034 54.836 55.803 0.111 0.000 0.852 356 Q CB 2.374 31.179 28.738 0.112 0.000 1.287 356 Q HN 0.543 nan 8.270 nan 0.000 0.448 357 R N 3.500 124.043 120.500 0.071 0.000 2.254 357 R HA 0.469 4.809 4.340 -0.000 0.000 0.318 357 R C -1.160 175.111 176.300 -0.048 0.000 1.031 357 R CA -0.088 56.042 56.100 0.051 0.000 0.905 357 R CB 0.426 30.787 30.300 0.101 0.000 1.050 357 R HN 0.593 nan 8.270 nan 0.000 0.456 358 L N 3.274 124.333 121.223 -0.273 0.000 2.279 358 L HA 0.618 4.958 4.340 -0.000 0.000 0.262 358 L C -0.818 175.889 176.870 -0.271 0.000 1.019 358 L CA -1.007 53.581 54.840 -0.420 0.000 0.823 358 L CB 1.998 43.512 42.059 -0.908 0.000 1.358 358 L HN 0.626 nan 8.230 nan 0.000 0.432 359 W N 1.801 122.980 121.300 -0.201 0.000 2.957 359 W HA 0.327 4.987 4.660 -0.000 0.000 0.336 359 W C -1.602 175.019 176.519 0.169 0.000 1.087 359 W CA -0.548 56.800 57.345 0.004 0.000 1.235 359 W CB 1.946 31.392 29.460 -0.024 0.000 1.399 359 W HN 0.443 nan 8.180 nan 0.000 0.480 360 N N 3.916 122.366 118.700 -0.416 0.000 2.457 360 N HA 0.035 4.775 4.740 -0.000 0.000 0.250 360 N C 0.009 175.097 175.510 -0.703 0.000 0.982 360 N CA 0.216 53.059 53.050 -0.345 0.000 0.941 360 N CB 1.308 39.563 38.487 -0.387 0.000 1.120 360 N HN 0.450 nan 8.380 nan 0.000 0.505 361 D N 2.693 122.945 120.400 -0.248 0.000 2.363 361 D HA 0.059 4.699 4.640 -0.000 0.000 0.226 361 D C 1.111 177.356 176.300 -0.091 0.000 1.020 361 D CA 0.888 54.854 54.000 -0.058 0.000 0.892 361 D CB 0.596 41.529 40.800 0.222 0.000 0.900 361 D HN 0.477 nan 8.370 nan 0.000 0.531 362 K N -0.999 119.324 120.400 -0.128 0.000 2.141 362 K HA 0.004 4.324 4.320 -0.000 0.000 0.202 362 K C 2.041 178.597 176.600 -0.073 0.000 1.045 362 K CA 1.308 57.561 56.287 -0.057 0.000 0.971 362 K CB -0.309 32.175 32.500 -0.027 0.000 0.795 362 K HN 0.204 nan 8.250 nan 0.000 0.459 363 T N -0.585 113.832 114.554 -0.228 0.000 3.055 363 T HA 0.010 4.359 4.350 -0.000 0.000 0.265 363 T C 0.553 175.008 174.700 -0.409 0.000 1.111 363 T CA 0.214 62.141 62.100 -0.288 0.000 1.118 363 T CB -0.051 68.520 68.868 -0.494 0.000 0.909 363 T HN 0.008 nan 8.240 nan 0.000 0.501 364 K N 2.177 122.222 120.400 -0.592 0.000 3.096 364 K HA -0.122 4.198 4.320 -0.000 0.000 0.266 364 K C 0.011 176.037 176.600 -0.957 0.000 1.043 364 K CA 1.273 57.083 56.287 -0.795 0.000 0.758 364 K CB -2.812 29.352 32.500 -0.560 0.000 1.260 364 K HN 0.899 nan 8.250 nan 0.000 0.481 365 T N -2.491 111.322 114.554 -1.236 0.000 2.903 365 T HA 0.712 5.062 4.350 -0.000 0.000 0.299 365 T C -2.907 171.303 174.700 -0.816 0.000 1.093 365 T CA -1.793 59.798 62.100 -0.849 0.000 1.002 365 T CB 3.747 72.343 68.868 -0.453 0.000 1.127 365 T HN -0.162 nan 8.240 nan 0.000 0.488 366 P HA 0.562 nan 4.420 nan 0.000 0.280 366 P C -1.650 175.618 177.300 -0.053 0.000 1.272 366 P CA -0.529 62.479 63.100 -0.154 0.000 0.819 366 P CB 0.649 32.184 31.700 -0.275 0.000 1.122 367 Y N -2.458 117.848 120.300 0.010 0.000 2.604 367 Y HA 0.588 5.138 4.550 -0.000 0.000 0.331 367 Y C -1.824 174.223 175.900 0.244 0.000 1.158 367 Y CA -1.362 56.796 58.100 0.096 0.000 1.056 367 Y CB 0.399 38.876 38.460 0.027 0.000 1.330 367 Y HN 0.095 nan 8.280 nan 0.000 0.457 368 L N 3.195 124.578 121.223 0.267 0.000 2.331 368 L HA 0.540 4.880 4.340 -0.000 0.000 0.275 368 L C -1.283 175.841 176.870 0.424 0.000 1.022 368 L CA -1.113 53.870 54.840 0.237 0.000 0.812 368 L CB 1.747 43.876 42.059 0.117 0.000 1.257 368 L HN 0.776 nan 8.230 nan 0.000 0.435 369 Y N 2.142 122.616 120.300 0.291 0.000 2.406 369 Y HA 0.362 4.912 4.550 -0.000 0.000 0.340 369 Y C -0.897 175.170 175.900 0.277 0.000 0.975 369 Y CA -0.957 57.344 58.100 0.335 0.000 1.056 369 Y CB 1.232 39.862 38.460 0.283 0.000 1.210 369 Y HN 0.482 nan 8.280 nan 0.000 0.448 370 H N 5.905 124.778 119.070 -0.328 0.000 2.725 370 H HA 0.515 5.071 4.556 -0.000 0.000 0.283 370 H C 0.041 174.888 175.328 -0.802 0.000 1.110 370 H CA 0.491 56.260 56.048 -0.466 0.000 1.289 370 H CB 1.513 31.062 29.762 -0.355 0.000 1.400 370 H HN 0.960 nan 8.280 nan 0.000 0.493 371 A N 3.859 126.129 122.820 -0.918 0.000 1.933 371 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 371 A C 2.231 179.677 177.584 -0.231 0.000 1.175 371 A CA 1.539 53.180 52.037 -0.659 0.000 0.628 371 A CB -0.274 18.544 19.000 -0.304 0.000 0.814 371 A HN 0.789 nan 8.150 nan 0.000 0.444 372 Q N -0.422 119.270 119.800 -0.180 0.000 2.016 372 Q HA -0.195 4.145 4.340 -0.000 0.000 0.200 372 Q C 1.087 177.144 176.000 0.094 0.000 0.978 372 Q CA 1.877 57.677 55.803 -0.005 0.000 0.833 372 Q CB -0.127 28.621 28.738 0.016 0.000 0.895 372 Q HN 0.623 nan 8.270 nan 0.000 0.427 373 N N -0.738 118.108 118.700 0.243 0.000 2.336 373 N HA 0.133 4.873 4.740 -0.000 0.000 0.189 373 N C -0.122 175.387 175.510 -0.003 0.000 1.113 373 N CA 0.872 53.929 53.050 0.013 0.000 0.858 373 N CB 0.962 39.298 38.487 -0.251 0.000 0.970 373 N HN 0.414 nan 8.380 nan 0.000 0.471 374 G N 0.810 109.632 108.800 0.036 0.000 2.324 374 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.292 374 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.292 374 G C -0.524 174.445 174.900 0.116 0.000 1.079 374 G CA -0.003 45.139 45.100 0.070 0.000 1.026 374 G HN 0.229 nan 8.290 nan 0.000 0.506 375 L N -0.929 120.393 121.223 0.165 0.000 2.333 375 L HA 0.914 5.254 4.340 -0.000 0.000 0.269 375 L C -0.126 177.049 176.870 0.509 0.000 1.010 375 L CA -1.383 53.636 54.840 0.299 0.000 0.818 375 L CB 2.001 44.240 42.059 0.300 0.000 1.306 375 L HN 0.196 nan 8.230 nan 0.000 0.430 376 F N 1.825 121.987 119.950 0.353 0.000 2.569 376 F HA 0.745 5.272 4.527 -0.000 0.000 0.312 376 F C -1.419 174.602 175.800 0.368 0.000 1.109 376 F CA -0.626 57.580 58.000 0.343 0.000 0.919 376 F CB 1.789 40.862 39.000 0.123 0.000 1.211 376 F HN 0.048 nan 8.300 nan 0.000 0.446 377 V N 4.147 123.822 119.914 -0.399 0.000 2.577 377 V HA 0.474 4.594 4.120 -0.000 0.000 0.303 377 V C -0.504 175.288 176.094 -0.503 0.000 1.042 377 V CA -0.709 61.421 62.300 -0.284 0.000 0.872 377 V CB 1.760 33.521 31.823 -0.102 0.000 0.998 377 V HN 0.873 nan 8.190 nan 0.000 0.423 378 T N 5.147 119.522 114.554 -0.298 0.000 2.771 378 T HA 0.777 5.127 4.350 -0.000 0.000 0.281 378 T C -0.939 173.862 174.700 0.168 0.000 0.982 378 T CA -0.185 61.856 62.100 -0.100 0.000 0.978 378 T CB 0.563 69.437 68.868 0.010 0.000 0.930 378 T HN 0.848 nan 8.240 nan 0.000 0.447 379 Y N 1.397 121.680 120.300 -0.029 0.000 2.764 379 Y HA 0.797 5.347 4.550 -0.000 0.000 0.331 379 Y C -1.565 174.307 175.900 -0.047 0.000 1.280 379 Y CA -1.542 56.530 58.100 -0.047 0.000 1.065 379 Y CB 0.490 38.926 38.460 -0.041 0.000 1.319 379 Y HN 0.489 nan 8.280 nan 0.000 0.453 380 D N 0.412 120.732 120.400 -0.134 0.000 2.419 380 D HA 0.529 5.169 4.640 -0.000 0.000 0.234 380 D C -1.364 174.617 176.300 -0.532 0.000 1.014 380 D CA -0.088 53.687 54.000 -0.374 0.000 0.919 380 D CB 1.812 42.476 40.800 -0.226 0.000 1.366 380 D HN 0.725 nan 8.370 nan 0.000 0.490 381 D N -0.935 119.006 120.400 -0.765 0.000 2.812 381 D HA 0.397 5.037 4.640 -0.000 0.000 0.318 381 D C 0.378 176.148 176.300 -0.883 0.000 1.234 381 D CA -0.771 52.763 54.000 -0.776 0.000 0.989 381 D CB 0.345 41.050 40.800 -0.159 0.000 1.442 381 D HN 0.285 nan 8.370 nan 0.000 0.537 382 A N -0.348 122.143 122.820 -0.548 0.000 2.024 382 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 382 A C 1.710 179.296 177.584 0.004 0.000 1.164 382 A CA 1.500 53.402 52.037 -0.226 0.000 0.643 382 A CB -0.673 18.242 19.000 -0.142 0.000 0.806 382 A HN 0.508 nan 8.150 nan 0.000 0.451 383 E N 0.236 120.413 120.200 -0.039 0.000 2.046 383 E HA -0.120 4.229 4.350 -0.000 0.000 0.190 383 E C 2.532 179.311 176.600 0.298 0.000 0.982 383 E CA 1.497 57.922 56.400 0.042 0.000 0.800 383 E CB -0.585 29.044 29.700 -0.118 0.000 0.756 383 E HN 0.771 nan 8.360 nan 0.000 0.449 384 S N 0.617 116.514 115.700 0.328 0.000 2.399 384 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 384 S C 1.865 176.738 174.600 0.456 0.000 1.022 384 S CA 0.646 59.109 58.200 0.439 0.000 0.983 384 S CB -0.454 62.804 63.200 0.096 0.000 0.803 384 S HN 0.041 nan 8.310 nan 0.000 0.480 385 F N 2.399 122.450 119.950 0.167 0.000 2.365 385 F HA 0.227 4.754 4.527 -0.000 0.000 0.300 385 F C 2.226 178.075 175.800 0.080 0.000 1.090 385 F CA -0.100 57.988 58.000 0.148 0.000 1.408 385 F CB -0.706 38.368 39.000 0.123 0.000 1.060 385 F HN 0.275 nan 8.300 nan 0.000 0.534 386 K N -0.730 119.673 120.400 0.005 0.000 2.057 386 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 386 K C 1.938 178.338 176.600 -0.333 0.000 1.049 386 K CA 1.701 57.617 56.287 -0.617 0.000 0.931 386 K CB -0.448 31.593 32.500 -0.766 0.000 0.714 386 K HN 0.242 nan 8.250 nan 0.000 0.440 387 Y N 1.167 121.522 120.300 0.091 0.000 2.263 387 Y HA -0.091 4.459 4.550 -0.000 0.000 0.292 387 Y C 2.150 178.142 175.900 0.154 0.000 1.130 387 Y CA 1.013 59.201 58.100 0.147 0.000 1.179 387 Y CB -0.073 38.495 38.460 0.180 0.000 0.998 387 Y HN -0.064 nan 8.280 nan 0.000 0.532 388 K N 0.001 120.572 120.400 0.284 0.000 2.097 388 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 388 K C 2.380 179.129 176.600 0.249 0.000 1.050 388 K CA 0.998 57.412 56.287 0.212 0.000 0.938 388 K CB -0.303 32.307 32.500 0.183 0.000 0.718 388 K HN 0.266 nan 8.250 nan 0.000 0.442 389 A N 1.755 124.678 122.820 0.172 0.000 1.902 389 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 389 A C 2.037 179.794 177.584 0.288 0.000 1.181 389 A CA 1.648 53.784 52.037 0.165 0.000 0.623 389 A CB -0.347 18.588 19.000 -0.108 0.000 0.818 389 A HN 0.215 nan 8.150 nan 0.000 0.443 390 K N -1.826 118.696 120.400 0.203 0.000 2.097 390 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 390 K C 1.890 178.658 176.600 0.280 0.000 1.049 390 K CA 1.680 58.097 56.287 0.216 0.000 0.933 390 K CB -0.385 32.205 32.500 0.150 0.000 0.717 390 K HN 0.526 nan 8.250 nan 0.000 0.442 391 Y N 1.223 121.639 120.300 0.193 0.000 2.181 391 Y HA -0.194 4.356 4.550 -0.000 0.000 0.288 391 Y C 1.781 177.787 175.900 0.177 0.000 1.146 391 Y CA 1.741 59.955 58.100 0.190 0.000 1.164 391 Y CB -0.055 38.492 38.460 0.146 0.000 0.982 391 Y HN 0.018 nan 8.280 nan 0.000 0.515 392 I N 0.161 120.961 120.570 0.384 0.000 2.208 392 I HA -0.368 3.802 4.170 -0.000 0.000 0.245 392 I C 2.276 178.491 176.117 0.164 0.000 1.097 392 I CA 1.752 63.221 61.300 0.282 0.000 1.363 392 I CB -0.349 37.884 38.000 0.389 0.000 1.051 392 I HN 0.227 nan 8.210 nan 0.000 0.413 393 K N 0.243 120.771 120.400 0.214 0.000 2.031 393 K HA -0.160 4.160 4.320 -0.000 0.000 0.205 393 K C 2.161 178.806 176.600 0.074 0.000 1.049 393 K CA 1.214 57.590 56.287 0.148 0.000 0.939 393 K CB -0.194 32.433 32.500 0.211 0.000 0.717 393 K HN 0.372 nan 8.250 nan 0.000 0.438 394 Q N 0.509 120.344 119.800 0.059 0.000 2.084 394 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 394 Q C 1.831 177.796 176.000 -0.059 0.000 0.978 394 Q CA 1.044 56.850 55.803 0.006 0.000 0.844 394 Q CB 0.109 28.852 28.738 0.009 0.000 0.898 394 Q HN 0.223 nan 8.270 nan 0.000 0.426 395 Q N 0.194 119.905 119.800 -0.148 0.000 2.444 395 Q HA -0.007 4.333 4.340 -0.000 0.000 0.206 395 Q C -0.222 175.746 176.000 -0.053 0.000 0.948 395 Q CA 0.300 56.001 55.803 -0.171 0.000 0.946 395 Q CB 0.494 29.003 28.738 -0.382 0.000 1.027 395 Q HN 0.416 nan 8.270 nan 0.000 0.513 396 Q N 0.341 120.132 119.800 -0.015 0.000 2.468 396 Q HA -0.196 4.144 4.340 -0.000 0.000 0.289 396 Q C -0.482 175.533 176.000 0.026 0.000 1.299 396 Q CA 0.303 56.112 55.803 0.011 0.000 0.838 396 Q CB -2.115 26.631 28.738 0.012 0.000 1.195 396 Q HN 0.371 nan 8.270 nan 0.000 0.456 397 L N -1.464 119.780 121.223 0.035 0.000 2.475 397 L HA 0.226 4.566 4.340 -0.000 0.000 0.253 397 L C 1.844 178.741 176.870 0.044 0.000 1.198 397 L CA 0.573 55.448 54.840 0.060 0.000 0.814 397 L CB 0.132 42.248 42.059 0.095 0.000 1.134 397 L HN 0.310 nan 8.230 nan 0.000 0.478 398 G N -0.723 108.124 108.800 0.079 0.000 2.484 398 G HA2 0.363 4.323 3.960 -0.000 0.000 0.218 398 G HA3 0.363 4.323 3.960 -0.000 0.000 0.218 398 G C 0.558 175.415 174.900 -0.072 0.000 1.130 398 G CA 0.748 45.912 45.100 0.107 0.000 0.784 398 G HN 0.957 nan 8.290 nan 0.000 0.543 399 G N -1.983 106.750 108.800 -0.112 0.000 2.373 399 G HA2 0.359 4.319 3.960 -0.000 0.000 0.250 399 G HA3 0.359 4.319 3.960 -0.000 0.000 0.250 399 G C -1.721 173.165 174.900 -0.023 0.000 1.304 399 G CA 0.122 45.101 45.100 -0.202 0.000 0.948 399 G HN 0.812 nan 8.290 nan 0.000 0.474 400 V N 1.200 121.141 119.914 0.046 0.000 2.914 400 V HA 0.890 5.010 4.120 -0.000 0.000 0.314 400 V C -0.598 175.541 176.094 0.076 0.000 1.084 400 V CA -0.725 61.657 62.300 0.136 0.000 0.963 400 V CB 1.828 33.810 31.823 0.265 0.000 1.025 400 V HN 1.149 nan 8.190 nan 0.000 0.432 401 M N 6.506 126.172 119.600 0.110 0.000 2.518 401 M HA 0.683 5.163 4.480 -0.000 0.000 0.300 401 M C -2.064 174.363 176.300 0.212 0.000 1.175 401 M CA -0.535 54.810 55.300 0.075 0.000 0.890 401 M CB 1.954 34.616 32.600 0.104 0.000 1.710 401 M HN 0.763 nan 8.290 nan 0.000 0.453 402 F N 1.890 121.866 119.950 0.043 0.000 2.631 402 F HA 0.760 5.287 4.527 -0.000 0.000 0.308 402 F C -2.186 173.633 175.800 0.031 0.000 1.097 402 F CA -1.127 56.807 58.000 -0.110 0.000 0.952 402 F CB 1.159 39.782 39.000 -0.628 0.000 1.307 402 F HN 0.694 nan 8.300 nan 0.000 0.450 403 W N 5.200 126.528 121.300 0.047 0.000 2.475 403 W HA 0.575 5.235 4.660 -0.000 0.000 0.320 403 W C -1.944 174.679 176.519 0.174 0.000 1.022 403 W CA -0.675 56.736 57.345 0.110 0.000 1.240 403 W CB 1.528 31.026 29.460 0.063 0.000 1.328 403 W HN 1.026 nan 8.180 nan 0.000 0.439 404 H N 2.068 120.979 119.070 -0.265 0.000 2.977 404 H HA 0.387 4.943 4.556 -0.000 0.000 0.350 404 H C 0.470 175.681 175.328 -0.196 0.000 1.238 404 H CA -0.919 54.837 56.048 -0.487 0.000 1.124 404 H CB 1.188 30.166 29.762 -1.306 0.000 1.866 404 H HN 0.276 nan 8.280 nan 0.000 0.550 405 L N 0.543 121.797 121.223 0.050 0.000 2.081 405 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 405 L C 2.413 178.899 176.870 -0.639 0.000 1.080 405 L CA 1.864 56.724 54.840 0.034 0.000 0.754 405 L CB -0.585 41.642 42.059 0.279 0.000 0.893 405 L HN 1.024 nan 8.230 nan 0.000 0.433 406 G N -1.408 106.889 108.800 -0.838 0.000 2.679 406 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.212 406 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.212 406 G C 1.397 175.936 174.900 -0.602 0.000 1.137 406 G CA 0.082 44.469 45.100 -1.188 0.000 0.787 406 G HN 0.444 nan 8.290 nan 0.000 0.534 407 Q N -0.424 119.046 119.800 -0.550 0.000 2.356 407 Q HA 0.089 4.429 4.340 -0.000 0.000 0.205 407 Q C 0.311 176.306 176.000 -0.008 0.000 0.901 407 Q CA -0.411 55.242 55.803 -0.250 0.000 0.938 407 Q CB 0.471 29.061 28.738 -0.247 0.000 1.081 407 Q HN 0.284 nan 8.270 nan 0.000 0.517 408 D N 1.609 122.044 120.400 0.058 0.000 2.360 408 D HA -0.029 4.611 4.640 -0.000 0.000 0.242 408 D C -0.089 176.239 176.300 0.047 0.000 1.184 408 D CA -0.099 53.918 54.000 0.029 0.000 0.930 408 D CB 0.642 41.497 40.800 0.092 0.000 1.161 408 D HN 0.094 nan 8.370 nan 0.000 0.447 409 N N 0.474 119.231 118.700 0.095 0.000 2.294 409 N HA 0.044 4.784 4.740 -0.000 0.000 0.248 409 N C 0.864 176.420 175.510 0.076 0.000 1.300 409 N CA -0.036 53.054 53.050 0.068 0.000 0.925 409 N CB 0.273 38.803 38.487 0.071 0.000 1.188 409 N HN 0.314 nan 8.380 nan 0.000 0.512 410 R N -0.897 119.644 120.500 0.069 0.000 2.127 410 R HA -0.028 4.312 4.340 -0.000 0.000 0.238 410 R C 0.536 176.889 176.300 0.089 0.000 1.134 410 R CA 1.132 57.288 56.100 0.094 0.000 0.975 410 R CB -0.373 29.967 30.300 0.067 0.000 0.865 410 R HN 0.573 nan 8.270 nan 0.000 0.447 411 N N -0.211 118.525 118.700 0.060 0.000 2.461 411 N HA -0.007 4.732 4.740 -0.000 0.000 0.188 411 N C 0.652 176.191 175.510 0.047 0.000 1.134 411 N CA 0.943 54.020 53.050 0.046 0.000 0.878 411 N CB 0.722 39.224 38.487 0.024 0.000 0.972 411 N HN 0.364 nan 8.380 nan 0.000 0.456 412 G N 1.500 110.337 108.800 0.062 0.000 2.246 412 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.273 412 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.273 412 G C 0.456 175.341 174.900 -0.026 0.000 1.055 412 G CA 0.434 45.566 45.100 0.055 0.000 0.851 412 G HN 0.222 nan 8.290 nan 0.000 0.500 413 D N -0.189 120.173 120.400 -0.062 0.000 2.144 413 D HA -0.054 4.586 4.640 -0.000 0.000 0.199 413 D C 2.725 178.877 176.300 -0.248 0.000 0.984 413 D CA 0.966 54.890 54.000 -0.126 0.000 0.834 413 D CB -0.015 40.732 40.800 -0.088 0.000 0.955 413 D HN 0.552 nan 8.370 nan 0.000 0.465 414 L N 0.097 121.078 121.223 -0.403 0.000 2.056 414 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 414 L C 2.402 179.101 176.870 -0.284 0.000 1.078 414 L CA 0.481 54.992 54.840 -0.547 0.000 0.749 414 L CB -0.390 40.901 42.059 -1.281 0.000 0.901 414 L HN 0.091 nan 8.230 nan 0.000 0.433 415 L N 0.531 121.650 121.223 -0.173 0.000 2.046 415 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 415 L C 2.609 179.429 176.870 -0.083 0.000 1.077 415 L CA 2.031 56.851 54.840 -0.035 0.000 0.747 415 L CB -0.761 41.364 42.059 0.110 0.000 0.896 415 L HN 0.128 nan 8.230 nan 0.000 0.432 416 A N -0.446 122.307 122.820 -0.110 0.000 1.933 416 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 416 A C 2.453 179.858 177.584 -0.299 0.000 1.175 416 A CA 1.727 53.678 52.037 -0.143 0.000 0.628 416 A CB -1.109 17.825 19.000 -0.109 0.000 0.814 416 A HN 0.608 nan 8.150 nan 0.000 0.444 417 A N -0.117 122.464 122.820 -0.398 0.000 1.877 417 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 417 A C 2.168 179.089 177.584 -1.105 0.000 1.186 417 A CA 1.474 53.034 52.037 -0.795 0.000 0.620 417 A CB -0.627 18.038 19.000 -0.558 0.000 0.822 417 A HN 0.465 nan 8.150 nan 0.000 0.443 418 L N -0.543 120.327 121.223 -0.589 0.000 2.012 418 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 418 L C 2.463 179.039 176.870 -0.489 0.000 1.073 418 L CA 1.962 56.468 54.840 -0.556 0.000 0.748 418 L CB -0.648 41.248 42.059 -0.273 0.000 0.891 418 L HN 0.534 nan 8.230 nan 0.000 0.431 419 D N -0.067 120.196 120.400 -0.227 0.000 2.117 419 D HA -0.249 4.391 4.640 -0.000 0.000 0.197 419 D C 2.313 178.541 176.300 -0.121 0.000 0.987 419 D CA 1.212 55.183 54.000 -0.047 0.000 0.829 419 D CB 0.034 40.833 40.800 -0.002 0.000 0.961 419 D HN 0.076 nan 8.370 nan 0.000 0.460 420 R N -1.151 119.157 120.500 -0.319 0.000 2.073 420 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 420 R C 1.875 178.022 176.300 -0.255 0.000 1.134 420 R CA 1.321 57.245 56.100 -0.293 0.000 0.952 420 R CB -0.425 29.612 30.300 -0.438 0.000 0.850 420 R HN 0.274 nan 8.270 nan 0.000 0.433 421 Y N -0.473 119.515 120.300 -0.520 0.000 2.333 421 Y HA -0.122 4.428 4.550 -0.000 0.000 0.290 421 Y C 1.838 177.675 175.900 -0.104 0.000 1.144 421 Y CA 0.581 58.338 58.100 -0.572 0.000 1.228 421 Y CB -0.415 37.660 38.460 -0.641 0.000 0.985 421 Y HN 0.063 nan 8.280 nan 0.000 0.542 422 F N -0.792 119.236 119.950 0.130 0.000 2.446 422 F HA 0.063 4.590 4.527 -0.000 0.000 0.292 422 F C 1.393 177.263 175.800 0.116 0.000 1.096 422 F CA 0.620 58.697 58.000 0.128 0.000 1.438 422 F CB -0.619 38.432 39.000 0.086 0.000 1.107 422 F HN 0.021 nan 8.300 nan 0.000 0.546 423 N N -0.927 117.936 118.700 0.273 0.000 2.193 423 N HA 0.284 5.024 4.740 -0.000 0.000 0.210 423 N C 0.255 175.853 175.510 0.148 0.000 1.215 423 N CA 0.075 53.238 53.050 0.189 0.000 0.901 423 N CB 0.503 39.082 38.487 0.154 0.000 1.060 423 N HN -0.005 nan 8.380 nan 0.000 0.508 424 A N 0.870 123.779 122.820 0.148 0.000 2.454 424 A HA 0.547 4.867 4.320 -0.000 0.000 0.260 424 A C 1.359 179.042 177.584 0.164 0.000 1.106 424 A CA -0.071 52.050 52.037 0.139 0.000 0.780 424 A CB 0.238 19.320 19.000 0.136 0.000 1.044 424 A HN 0.315 nan 8.150 nan 0.000 0.498 425 A N 2.314 125.204 122.820 0.117 0.000 2.015 425 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 425 A C 1.216 178.857 177.584 0.095 0.000 1.163 425 A CA 1.703 53.798 52.037 0.098 0.000 0.646 425 A CB -0.313 18.729 19.000 0.070 0.000 0.806 425 A HN 0.847 nan 8.150 nan 0.000 0.448 426 D N -2.782 117.684 120.400 0.110 0.000 2.368 426 D HA 0.110 4.750 4.640 -0.000 0.000 0.218 426 D C -0.057 176.327 176.300 0.140 0.000 1.112 426 D CA -0.378 53.680 54.000 0.097 0.000 0.834 426 D CB -0.542 40.304 40.800 0.077 0.000 0.953 426 D HN 0.410 nan 8.370 nan 0.000 0.505 427 Y N 1.293 121.625 120.300 0.053 0.000 2.331 427 Y HA 0.452 5.002 4.550 -0.000 0.000 0.338 427 Y C -1.330 174.596 175.900 0.044 0.000 0.992 427 Y CA -1.407 56.729 58.100 0.061 0.000 1.121 427 Y CB 1.457 39.985 38.460 0.113 0.000 1.184 427 Y HN -0.207 nan 8.280 nan 0.000 0.469 428 D N 4.777 124.773 120.400 -0.673 0.000 2.473 428 D HA 0.157 4.797 4.640 -0.000 0.000 0.253 428 D C -0.858 175.046 176.300 -0.660 0.000 1.233 428 D CA -0.587 53.121 54.000 -0.486 0.000 0.908 428 D CB 0.839 41.504 40.800 -0.226 0.000 1.170 428 D HN 0.707 nan 8.370 nan 0.000 0.558 429 D N 1.312 121.372 120.400 -0.568 0.000 2.427 429 D HA -0.016 4.624 4.640 -0.000 0.000 0.224 429 D C 1.255 177.457 176.300 -0.163 0.000 1.157 429 D CA -0.075 53.696 54.000 -0.383 0.000 0.828 429 D CB 0.007 40.666 40.800 -0.235 0.000 0.974 429 D HN 0.181 nan 8.370 nan 0.000 0.498 430 S N 0.329 115.949 115.700 -0.133 0.000 2.400 430 S HA -0.270 4.200 4.470 -0.000 0.000 0.232 430 S C 1.575 176.150 174.600 -0.043 0.000 1.025 430 S CA 0.904 59.068 58.200 -0.060 0.000 0.993 430 S CB -0.511 62.658 63.200 -0.050 0.000 0.808 430 S HN 0.385 nan 8.310 nan 0.000 0.478 431 Q N 0.168 119.929 119.800 -0.064 0.000 2.282 431 Q HA 0.377 4.717 4.340 -0.000 0.000 0.206 431 Q C -0.376 175.612 176.000 -0.019 0.000 0.878 431 Q CA -0.415 55.368 55.803 -0.034 0.000 0.944 431 Q CB 0.088 28.803 28.738 -0.039 0.000 1.100 431 Q HN 0.452 nan 8.270 nan 0.000 0.509 432 L N 2.730 123.929 121.223 -0.040 0.000 2.534 432 L HA 0.016 4.356 4.340 -0.000 0.000 0.271 432 L C -0.309 176.620 176.870 0.098 0.000 1.178 432 L CA 0.387 55.216 54.840 -0.018 0.000 0.907 432 L CB 0.379 42.365 42.059 -0.121 0.000 1.164 432 L HN -0.024 nan 8.230 nan 0.000 0.482 433 D N 4.837 125.339 120.400 0.169 0.000 2.325 433 D HA 0.091 4.731 4.640 -0.000 0.000 0.251 433 D C 0.846 177.345 176.300 0.332 0.000 1.196 433 D CA -0.230 53.889 54.000 0.197 0.000 0.866 433 D CB 0.815 41.707 40.800 0.153 0.000 1.101 433 D HN 0.504 nan 8.370 nan 0.000 0.476 434 M N 2.962 122.734 119.600 0.288 0.000 2.659 434 M HA 0.194 4.674 4.480 -0.000 0.000 0.243 434 M C 1.193 177.623 176.300 0.216 0.000 1.111 434 M CA 0.548 56.075 55.300 0.378 0.000 1.070 434 M CB -1.440 31.383 32.600 0.372 0.000 1.525 434 M HN 0.682 nan 8.290 nan 0.000 0.517 435 G N 0.908 109.786 108.800 0.129 0.000 2.741 435 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.222 435 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.222 435 G C 0.280 175.157 174.900 -0.038 0.000 1.364 435 G CA 0.149 45.280 45.100 0.052 0.000 0.866 435 G HN 0.423 nan 8.290 nan 0.000 0.555 436 T N -1.611 112.920 114.554 -0.038 0.000 3.129 436 T HA 0.590 4.940 4.350 -0.000 0.000 0.267 436 T C 1.355 176.006 174.700 -0.081 0.000 1.018 436 T CA 1.114 63.173 62.100 -0.068 0.000 0.903 436 T CB 0.431 69.282 68.868 -0.027 0.000 1.067 436 T HN 1.997 nan 8.240 nan 0.000 0.549 437 G N 1.755 110.512 108.800 -0.071 0.000 2.630 437 G HA2 0.434 4.394 3.960 -0.000 0.000 0.236 437 G HA3 0.434 4.394 3.960 -0.000 0.000 0.236 437 G C -0.040 174.831 174.900 -0.048 0.000 1.248 437 G CA -0.726 44.371 45.100 -0.005 0.000 0.844 437 G HN 0.584 nan 8.290 nan 0.000 0.588 438 L N 0.788 122.036 121.223 0.040 0.000 2.462 438 L HA 0.238 4.578 4.340 -0.000 0.000 0.272 438 L C 0.789 177.738 176.870 0.132 0.000 1.166 438 L CA -0.367 54.504 54.840 0.052 0.000 0.880 438 L CB 0.323 42.425 42.059 0.072 0.000 1.142 438 L HN 0.364 nan 8.230 nan 0.000 0.473 439 R N 1.830 122.375 120.500 0.075 0.000 2.536 439 R HA 0.283 4.623 4.340 -0.000 0.000 0.279 439 R C -0.860 175.582 176.300 0.237 0.000 1.001 439 R CA -0.622 55.592 56.100 0.190 0.000 1.027 439 R CB 0.636 30.979 30.300 0.072 0.000 1.096 439 R HN 0.319 nan 8.270 nan 0.000 0.502 440 Y N 1.060 121.486 120.300 0.209 0.000 2.436 440 Y HA 0.092 4.642 4.550 -0.000 0.000 0.343 440 Y C 0.800 176.766 175.900 0.109 0.000 1.008 440 Y CA 0.223 58.423 58.100 0.166 0.000 1.241 440 Y CB 0.845 39.419 38.460 0.190 0.000 1.153 440 Y HN 0.722 nan 8.280 nan 0.000 0.521 441 T N 1.689 116.075 114.554 -0.281 0.000 3.186 441 T HA 0.314 4.664 4.350 -0.000 0.000 0.257 441 T C 0.805 175.356 174.700 -0.248 0.000 1.029 441 T CA -0.036 61.957 62.100 -0.178 0.000 0.916 441 T CB -0.444 68.344 68.868 -0.134 0.000 1.041 441 T HN 0.780 nan 8.240 nan 0.000 0.562 442 G N 0.947 109.486 108.800 -0.434 0.000 2.491 442 G HA2 0.465 4.425 3.960 -0.000 0.000 0.238 442 G HA3 0.465 4.425 3.960 -0.000 0.000 0.238 442 G C -0.691 174.164 174.900 -0.074 0.000 1.277 442 G CA -0.278 44.671 45.100 -0.250 0.000 0.851 442 G HN 0.401 nan 8.290 nan 0.000 0.573 443 V N 1.459 121.292 119.914 -0.136 0.000 2.540 443 V HA 0.834 4.954 4.120 -0.000 0.000 0.302 443 V C 0.741 176.731 176.094 -0.174 0.000 1.035 443 V CA 0.125 62.358 62.300 -0.112 0.000 0.873 443 V CB 1.415 33.165 31.823 -0.122 0.000 0.992 443 V HN 1.140 nan 8.190 nan 0.000 0.428 444 G N 3.869 112.590 108.800 -0.132 0.000 2.949 444 G HA2 0.617 4.577 3.960 -0.000 0.000 0.285 444 G HA3 0.617 4.577 3.960 -0.000 0.000 0.285 444 G C -2.519 172.258 174.900 -0.204 0.000 1.395 444 G CA -1.185 43.796 45.100 -0.199 0.000 0.901 444 G HN 0.457 nan 8.290 nan 0.000 0.519 445 P HA -0.008 nan 4.420 nan 0.000 0.218 445 P C 1.744 179.005 177.300 -0.065 0.000 1.148 445 P CA 1.643 64.621 63.100 -0.202 0.000 0.822 445 P CB 0.203 31.785 31.700 -0.197 0.000 0.784 446 G N -0.694 108.102 108.800 -0.008 0.000 2.813 446 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.209 446 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.209 446 G C 0.634 175.548 174.900 0.024 0.000 1.150 446 G CA 0.146 45.261 45.100 0.026 0.000 0.785 446 G HN 0.510 nan 8.290 nan 0.000 0.535 447 N N -0.886 117.819 118.700 0.008 0.000 2.536 447 N HA 0.311 5.051 4.740 -0.000 0.000 0.286 447 N C -0.224 175.276 175.510 -0.016 0.000 1.577 447 N CA -0.520 52.537 53.050 0.012 0.000 0.883 447 N CB 0.197 38.710 38.487 0.043 0.000 1.390 447 N HN -0.017 nan 8.380 nan 0.000 0.491 448 L N 1.343 122.545 121.223 -0.035 0.000 2.456 448 L HA 0.359 4.699 4.340 -0.000 0.000 0.272 448 L C -1.713 175.133 176.870 -0.040 0.000 1.189 448 L CA -1.624 53.183 54.840 -0.055 0.000 0.846 448 L CB 0.323 42.348 42.059 -0.058 0.000 1.111 448 L HN 0.191 nan 8.230 nan 0.000 0.475 449 P HA 0.157 nan 4.420 nan 0.000 0.277 449 P C -0.620 176.655 177.300 -0.041 0.000 1.240 449 P CA -0.525 62.555 63.100 -0.034 0.000 0.798 449 P CB 0.956 32.638 31.700 -0.030 0.000 0.979 450 I N 2.499 123.047 120.570 -0.037 0.000 2.588 450 I HA 0.196 4.366 4.170 -0.000 0.000 0.283 450 I C 0.966 177.062 176.117 -0.034 0.000 1.119 450 I CA 0.689 61.963 61.300 -0.044 0.000 1.419 450 I CB -0.549 37.429 38.000 -0.037 0.000 1.394 450 I HN 0.422 nan 8.210 nan 0.000 0.562 451 M N 4.497 124.075 119.600 -0.036 0.000 2.683 451 M HA 0.391 4.870 4.480 -0.000 0.000 0.274 451 M C -0.685 175.607 176.300 -0.013 0.000 1.272 451 M CA -0.635 54.654 55.300 -0.020 0.000 0.833 451 M CB 2.981 35.570 32.600 -0.017 0.000 1.708 451 M HN 0.646 nan 8.290 nan 0.000 0.463 452 T N -0.716 113.841 114.554 0.004 0.000 2.906 452 T HA 0.983 5.333 4.350 -0.000 0.000 0.295 452 T C -1.033 173.688 174.700 0.035 0.000 1.061 452 T CA -0.835 61.274 62.100 0.014 0.000 1.000 452 T CB 2.242 71.117 68.868 0.012 0.000 1.103 452 T HN 0.966 nan 8.240 nan 0.000 0.486 453 A N 1.786 124.636 122.820 0.050 0.000 2.597 453 A HA 0.798 5.118 4.320 -0.000 0.000 0.292 453 A C -3.283 174.350 177.584 0.081 0.000 1.057 453 A CA -1.506 50.575 52.037 0.073 0.000 0.674 453 A CB 0.375 19.432 19.000 0.095 0.000 1.278 453 A HN 0.660 nan 8.150 nan 0.000 0.416 454 P HA 0.402 nan 4.420 nan 0.000 0.269 454 P C 0.096 177.461 177.300 0.109 0.000 1.209 454 P CA 0.347 63.503 63.100 0.092 0.000 0.776 454 P CB 0.661 32.424 31.700 0.105 0.000 0.876 455 A N 3.049 125.928 122.820 0.098 0.000 2.498 455 A HA 0.084 4.404 4.320 -0.000 0.000 0.239 455 A C -0.285 177.376 177.584 0.130 0.000 1.068 455 A CA -0.051 52.061 52.037 0.124 0.000 0.766 455 A CB -0.596 18.465 19.000 0.101 0.000 1.003 455 A HN 0.578 nan 8.150 nan 0.000 0.497 456 Y N 2.344 122.655 120.300 0.019 0.000 2.511 456 Y HA 0.370 4.920 4.550 -0.000 0.000 0.332 456 Y C -0.247 175.658 175.900 0.009 0.000 1.177 456 Y CA 0.261 58.297 58.100 -0.107 0.000 1.422 456 Y CB 0.573 38.727 38.460 -0.510 0.000 1.271 456 Y HN 0.362 nan 8.280 nan 0.000 0.550 457 V N 9.179 128.635 119.914 -0.765 0.000 2.376 457 V HA 0.303 4.423 4.120 -0.000 0.000 0.287 457 V C -2.233 173.392 176.094 -0.782 0.000 1.015 457 V CA -2.166 59.805 62.300 -0.548 0.000 0.834 457 V CB 1.298 32.984 31.823 -0.228 0.000 1.001 457 V HN 0.750 nan 8.190 nan 0.000 0.428 458 P HA 0.218 nan 4.420 nan 0.000 0.262 458 P C 1.007 178.220 177.300 -0.145 0.000 1.182 458 P CA 1.416 64.379 63.100 -0.230 0.000 0.761 458 P CB 0.614 32.303 31.700 -0.019 0.000 0.795 459 G N 1.445 110.209 108.800 -0.059 0.000 2.213 459 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.236 459 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.236 459 G C 0.289 175.148 174.900 -0.069 0.000 0.991 459 G CA -0.050 45.026 45.100 -0.039 0.000 0.629 459 G HN 0.592 nan 8.290 nan 0.000 0.517 460 T N 1.839 116.314 114.554 -0.131 0.000 2.909 460 T HA 0.576 4.926 4.350 -0.000 0.000 0.286 460 T C 0.145 174.736 174.700 -0.182 0.000 1.002 460 T CA 0.523 62.473 62.100 -0.249 0.000 1.074 460 T CB 1.640 70.219 68.868 -0.482 0.000 0.984 460 T HN 0.193 nan 8.240 nan 0.000 0.495 461 T N 3.063 117.470 114.554 -0.245 0.000 2.771 461 T HA 0.476 4.826 4.350 -0.000 0.000 0.281 461 T C -0.946 173.601 174.700 -0.255 0.000 0.982 461 T CA -0.375 61.671 62.100 -0.089 0.000 0.978 461 T CB 0.215 69.087 68.868 0.007 0.000 0.930 461 T HN 0.394 nan 8.240 nan 0.000 0.447 462 Y N 1.187 121.493 120.300 0.009 0.000 2.387 462 Y HA 0.625 5.175 4.550 -0.000 0.000 0.336 462 Y C 0.640 176.419 175.900 -0.202 0.000 1.067 462 Y CA -1.104 56.962 58.100 -0.057 0.000 1.114 462 Y CB 1.162 39.628 38.460 0.010 0.000 1.208 462 Y HN 0.776 nan 8.280 nan 0.000 0.458 463 A N 2.103 124.893 122.820 -0.050 0.000 2.272 463 A HA 0.267 4.587 4.320 -0.000 0.000 0.275 463 A C -0.224 177.263 177.584 -0.161 0.000 1.096 463 A CA -0.747 51.181 52.037 -0.182 0.000 0.822 463 A CB 0.397 19.308 19.000 -0.147 0.000 1.088 463 A HN 0.790 nan 8.150 nan 0.000 0.495 464 Q N -0.432 119.268 119.800 -0.167 0.000 2.330 464 Q HA 0.361 4.701 4.340 -0.000 0.000 0.279 464 Q C 1.035 176.978 176.000 -0.094 0.000 1.024 464 Q CA 1.148 56.870 55.803 -0.134 0.000 0.900 464 Q CB 0.178 28.882 28.738 -0.056 0.000 1.221 464 Q HN 1.803 nan 8.270 nan 0.000 0.396 465 G N 2.172 110.909 108.800 -0.105 0.000 2.199 465 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.254 465 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.254 465 G C 0.198 175.092 174.900 -0.010 0.000 0.982 465 G CA 0.047 45.120 45.100 -0.046 0.000 0.632 465 G HN 1.025 nan 8.290 nan 0.000 0.529 466 A N -0.089 122.722 122.820 -0.015 0.000 2.483 466 A HA 0.667 4.987 4.320 -0.000 0.000 0.238 466 A C 0.318 177.992 177.584 0.150 0.000 1.070 466 A CA 0.480 52.574 52.037 0.095 0.000 0.770 466 A CB 0.335 19.462 19.000 0.211 0.000 1.008 466 A HN 0.982 nan 8.150 nan 0.000 0.497 467 L N 2.098 123.433 121.223 0.187 0.000 2.365 467 L HA 0.698 5.038 4.340 -0.000 0.000 0.273 467 L C -0.342 176.645 176.870 0.195 0.000 1.000 467 L CA -0.770 54.192 54.840 0.203 0.000 0.819 467 L CB 1.976 44.113 42.059 0.131 0.000 1.284 467 L HN 0.716 nan 8.230 nan 0.000 0.418 468 V N -0.579 119.444 119.914 0.181 0.000 3.147 468 V HA 0.779 4.899 4.120 -0.000 0.000 0.306 468 V C -0.416 175.774 176.094 0.160 0.000 1.209 468 V CA -0.703 61.657 62.300 0.100 0.000 1.023 468 V CB 2.002 33.764 31.823 -0.102 0.000 1.059 468 V HN 0.744 nan 8.190 nan 0.000 0.435 469 S N 2.077 117.878 115.700 0.169 0.000 2.525 469 S HA 0.867 5.337 4.470 -0.000 0.000 0.290 469 S C -1.068 173.719 174.600 0.311 0.000 1.152 469 S CA -0.540 57.796 58.200 0.227 0.000 1.072 469 S CB 1.376 64.657 63.200 0.135 0.000 1.027 469 S HN 1.635 nan 8.310 nan 0.000 0.500 470 Y N 1.073 121.501 120.300 0.215 0.000 2.480 470 Y HA 0.258 4.808 4.550 -0.000 0.000 0.329 470 Y C -0.373 175.677 175.900 0.251 0.000 1.127 470 Y CA -0.698 57.454 58.100 0.087 0.000 1.037 470 Y CB 1.283 39.548 38.460 -0.324 0.000 1.320 470 Y HN 0.954 nan 8.280 nan 0.000 0.446 471 Q N 4.009 123.630 119.800 -0.299 0.000 2.411 471 Q HA -0.263 4.077 4.340 -0.000 0.000 0.305 471 Q C 1.049 177.097 176.000 0.080 0.000 1.273 471 Q CA 1.477 57.172 55.803 -0.180 0.000 0.895 471 Q CB -1.605 26.965 28.738 -0.279 0.000 1.198 471 Q HN 1.518 nan 8.270 nan 0.000 0.470 472 G N -2.193 106.611 108.800 0.007 0.000 2.176 472 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.253 472 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.253 472 G C -0.296 174.344 174.900 -0.433 0.000 0.979 472 G CA 0.378 45.361 45.100 -0.194 0.000 0.641 472 G HN 0.405 nan 8.290 nan 0.000 0.530 473 Y N -1.442 118.856 120.300 -0.002 0.000 2.605 473 Y HA 0.659 5.208 4.550 -0.000 0.000 0.343 473 Y C 0.276 176.080 175.900 -0.160 0.000 1.036 473 Y CA -1.232 56.744 58.100 -0.207 0.000 1.065 473 Y CB 2.062 40.180 38.460 -0.570 0.000 1.288 473 Y HN 0.081 nan 8.280 nan 0.000 0.481 474 V N 1.269 121.127 119.914 -0.093 0.000 2.427 474 V HA 0.309 4.429 4.120 -0.000 0.000 0.286 474 V C -1.229 174.783 176.094 -0.137 0.000 1.034 474 V CA -0.825 61.477 62.300 0.003 0.000 0.893 474 V CB 0.619 32.446 31.823 0.006 0.000 0.982 474 V HN 0.634 nan 8.190 nan 0.000 0.452 475 W N 2.652 123.964 121.300 0.020 0.000 2.781 475 W HA 0.748 5.408 4.660 -0.000 0.000 0.345 475 W C -0.139 176.510 176.519 0.215 0.000 1.085 475 W CA -0.608 56.778 57.345 0.069 0.000 1.198 475 W CB 1.398 30.823 29.460 -0.060 0.000 1.423 475 W HN 0.448 nan 8.180 nan 0.000 0.532 476 Q N 0.984 121.061 119.800 0.462 0.000 2.375 476 Q HA 0.516 4.856 4.340 -0.000 0.000 0.271 476 Q C -0.312 175.716 176.000 0.048 0.000 1.074 476 Q CA -0.637 55.321 55.803 0.258 0.000 0.808 476 Q CB 2.046 30.845 28.738 0.102 0.000 1.327 476 Q HN 0.540 nan 8.270 nan 0.000 0.441 477 T N 0.320 114.693 114.554 -0.303 0.000 2.907 477 T HA 0.293 4.643 4.350 -0.000 0.000 0.298 477 T C 0.465 174.921 174.700 -0.406 0.000 1.017 477 T CA -0.454 61.236 62.100 -0.685 0.000 1.118 477 T CB 1.110 69.432 68.868 -0.909 0.000 0.948 477 T HN 0.710 nan 8.240 nan 0.000 0.531 478 K N 1.364 121.456 120.400 -0.514 0.000 2.361 478 K HA 0.211 4.531 4.320 -0.000 0.000 0.196 478 K C -0.066 176.550 176.600 0.027 0.000 1.039 478 K CA 0.167 56.325 56.287 -0.214 0.000 1.001 478 K CB 0.188 32.590 32.500 -0.163 0.000 0.795 478 K HN 0.852 nan 8.250 nan 0.000 0.495 479 W N -1.526 119.688 121.300 -0.144 0.000 2.874 479 W HA 0.594 5.254 4.660 -0.000 0.000 0.403 479 W C -0.514 175.913 176.519 -0.154 0.000 1.144 479 W CA -1.401 55.877 57.345 -0.111 0.000 1.175 479 W CB -0.067 29.353 29.460 -0.067 0.000 1.483 479 W HN -0.186 nan 8.180 nan 0.000 0.591 480 G N -1.048 107.870 108.800 0.196 0.000 2.511 480 G HA2 0.514 4.474 3.960 -0.000 0.000 0.316 480 G HA3 0.514 4.474 3.960 -0.000 0.000 0.316 480 G C -1.338 173.599 174.900 0.063 0.000 1.210 480 G CA -0.840 44.220 45.100 -0.066 0.000 0.969 480 G HN 1.063 nan 8.290 nan 0.000 0.492 481 Y N -2.180 118.152 120.300 0.053 0.000 3.305 481 Y HA -0.159 4.391 4.550 -0.000 0.000 0.209 481 Y C 0.394 176.329 175.900 0.059 0.000 1.354 481 Y CA -0.416 57.719 58.100 0.058 0.000 1.392 481 Y CB -1.773 36.730 38.460 0.071 0.000 1.446 481 Y HN 0.237 nan 8.280 nan 0.000 0.553 482 I N 1.167 121.764 120.570 0.044 0.000 2.379 482 I HA 0.105 4.275 4.170 -0.000 0.000 0.290 482 I C 1.378 177.614 176.117 0.199 0.000 1.063 482 I CA 0.515 61.819 61.300 0.007 0.000 1.351 482 I CB 0.863 38.655 38.000 -0.347 0.000 1.410 482 I HN 0.434 nan 8.210 nan 0.000 0.505 483 T N 0.555 115.226 114.554 0.196 0.000 3.085 483 T HA 0.208 4.558 4.350 -0.000 0.000 0.264 483 T C 0.668 175.512 174.700 0.241 0.000 1.019 483 T CA -0.273 61.960 62.100 0.222 0.000 0.910 483 T CB 0.385 69.345 68.868 0.154 0.000 1.059 483 T HN 0.416 nan 8.240 nan 0.000 0.542 484 S N 0.151 116.000 115.700 0.249 0.000 2.745 484 S HA 0.834 5.304 4.470 -0.000 0.000 0.306 484 S C -0.470 174.189 174.600 0.099 0.000 1.137 484 S CA -0.466 57.841 58.200 0.177 0.000 0.900 484 S CB 1.328 64.581 63.200 0.088 0.000 1.176 484 S HN 0.654 nan 8.310 nan 0.000 0.520 485 A N 1.840 124.488 122.820 -0.286 0.000 2.286 485 A HA 0.701 5.021 4.320 -0.000 0.000 0.286 485 A C -2.724 174.148 177.584 -1.186 0.000 1.097 485 A CA -1.581 49.747 52.037 -1.182 0.000 0.821 485 A CB -0.470 17.801 19.000 -1.215 0.000 1.076 485 A HN 0.566 nan 8.150 nan 0.000 0.490 486 P HA 0.273 nan 4.420 nan 0.000 0.265 486 P C 0.989 177.575 177.300 -1.190 0.000 1.193 486 P CA 1.960 63.861 63.100 -1.999 0.000 0.765 486 P CB 0.748 30.672 31.700 -2.959 0.000 0.823 487 G N 2.148 110.468 108.800 -0.800 0.000 2.241 487 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 487 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 487 G C 0.975 175.776 174.900 -0.164 0.000 0.998 487 G CA 0.479 45.377 45.100 -0.338 0.000 0.621 487 G HN 0.499 nan 8.290 nan 0.000 0.519 488 S N -0.182 115.401 115.700 -0.196 0.000 2.666 488 S HA 0.334 4.804 4.470 -0.000 0.000 0.239 488 S C -0.409 174.170 174.600 -0.035 0.000 1.031 488 S CA 0.353 58.501 58.200 -0.087 0.000 1.015 488 S CB 0.881 64.028 63.200 -0.089 0.000 0.981 488 S HN 0.564 nan 8.310 nan 0.000 0.547 489 D N 1.121 121.507 120.400 -0.024 0.000 2.736 489 D HA 0.186 4.826 4.640 -0.000 0.000 0.243 489 D C 0.657 176.999 176.300 0.070 0.000 1.304 489 D CA -0.114 53.922 54.000 0.060 0.000 0.934 489 D CB 1.857 42.727 40.800 0.116 0.000 1.382 489 D HN 0.056 nan 8.370 nan 0.000 0.571 490 S N 2.213 117.957 115.700 0.074 0.000 2.595 490 S HA -0.061 4.409 4.470 -0.000 0.000 0.235 490 S C 1.619 176.168 174.600 -0.086 0.000 0.974 490 S CA 0.823 59.072 58.200 0.081 0.000 0.942 490 S CB -0.052 63.249 63.200 0.169 0.000 0.766 490 S HN 0.424 nan 8.310 nan 0.000 0.536 491 A N -0.091 122.510 122.820 -0.365 0.000 2.168 491 A HA 0.243 4.563 4.320 -0.000 0.000 0.215 491 A C 0.297 177.370 177.584 -0.851 0.000 1.152 491 A CA -0.157 51.183 52.037 -1.161 0.000 0.716 491 A CB -0.441 17.727 19.000 -1.386 0.000 0.794 491 A HN 0.717 nan 8.150 nan 0.000 0.465 492 W N -1.172 119.922 121.300 -0.345 0.000 2.417 492 W HA 0.576 5.236 4.660 -0.000 0.000 0.317 492 W C -0.432 176.107 176.519 0.032 0.000 1.121 492 W CA -0.818 56.422 57.345 -0.176 0.000 1.208 492 W CB 1.097 30.414 29.460 -0.238 0.000 1.253 492 W HN 0.050 nan 8.180 nan 0.000 0.533 493 L N 3.919 125.340 121.223 0.329 0.000 2.333 493 L HA 0.419 4.759 4.340 -0.000 0.000 0.280 493 L C -0.077 176.887 176.870 0.156 0.000 1.004 493 L CA -1.185 53.771 54.840 0.194 0.000 0.820 493 L CB 1.105 43.199 42.059 0.058 0.000 1.247 493 L HN 0.331 nan 8.230 nan 0.000 0.416 494 K N 3.702 124.017 120.400 -0.142 0.000 2.383 494 K HA 0.290 4.610 4.320 -0.000 0.000 0.286 494 K C 0.454 176.838 176.600 -0.361 0.000 1.051 494 K CA 0.261 56.151 56.287 -0.663 0.000 0.974 494 K CB 0.573 32.437 32.500 -1.061 0.000 0.968 494 K HN 0.663 nan 8.250 nan 0.000 0.475 495 V N 0.619 120.375 119.914 -0.263 0.000 3.502 495 V HA 0.456 4.576 4.120 -0.000 0.000 0.288 495 V C 0.410 176.427 176.094 -0.127 0.000 1.461 495 V CA 0.269 62.477 62.300 -0.153 0.000 1.029 495 V CB 0.469 32.252 31.823 -0.068 0.000 0.843 495 V HN 0.701 nan 8.190 nan 0.000 0.438 496 G N 0.887 109.601 108.800 -0.143 0.000 2.649 496 G HA2 0.698 4.658 3.960 -0.000 0.000 0.290 496 G HA3 0.698 4.658 3.960 -0.000 0.000 0.290 496 G C -1.272 173.585 174.900 -0.071 0.000 1.426 496 G CA -0.827 44.220 45.100 -0.087 0.000 0.794 496 G HN 0.591 nan 8.290 nan 0.000 0.483 497 R N -0.938 119.513 120.500 -0.082 0.000 2.912 497 R HA 0.860 5.200 4.340 -0.000 0.000 0.262 497 R C 0.310 176.509 176.300 -0.169 0.000 1.057 497 R CA -0.191 55.806 56.100 -0.170 0.000 0.981 497 R CB 1.511 31.702 30.300 -0.181 0.000 1.201 497 R HN 1.142 nan 8.270 nan 0.000 0.484 498 V N -1.529 118.237 119.914 -0.246 0.000 0.631 498 V HA -0.385 3.735 4.120 -0.000 0.000 0.092 498 V C 0.294 176.321 176.094 -0.112 0.000 1.502 498 V CA 2.755 64.955 62.300 -0.167 0.000 3.284 498 V CB -1.700 30.058 31.823 -0.108 0.000 0.547 498 V HN 1.366 nan 8.190 nan 0.000 0.554 499 A N 0.000 122.778 122.820 -0.071 0.000 2.254 499 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 499 A CA 0.000 nan 52.037 nan 0.000 0.836 499 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486