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_B 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 0.000 174.704 174.700 0.007 0.000 1.109 3 T CA 0.000 62.113 62.100 0.021 0.000 1.349 3 T CB 0.000 68.884 68.868 0.027 0.000 0.612 4 R N 2.154 122.663 120.500 0.015 0.000 2.570 4 R HA 0.192 4.533 4.340 0.000 0.000 0.277 4 R C -0.133 176.132 176.300 -0.058 0.000 1.039 4 R CA -0.198 55.900 56.100 -0.003 0.000 1.065 4 R CB 0.404 30.721 30.300 0.028 0.000 0.964 4 R HN 0.278 nan 8.270 nan 0.000 0.428 5 K N 2.497 122.781 120.400 -0.194 0.000 2.270 5 K HA 0.169 4.489 4.320 0.000 0.000 0.276 5 K C -0.262 176.195 176.600 -0.237 0.000 1.023 5 K CA -0.108 55.951 56.287 -0.380 0.000 0.955 5 K CB 1.472 33.312 32.500 -1.100 0.000 0.975 5 K HN 0.722 nan 8.250 nan 0.000 0.471 6 A N 2.001 124.692 122.820 -0.215 0.000 2.407 6 A HA 0.333 4.653 4.320 0.000 0.000 0.248 6 A C -0.294 177.249 177.584 -0.069 0.000 1.082 6 A CA -0.424 51.517 52.037 -0.160 0.000 0.785 6 A CB 0.397 19.080 19.000 -0.528 0.000 1.020 6 A HN 0.360 nan 8.150 nan 0.000 0.489 7 V N 4.149 124.102 119.914 0.066 0.000 2.398 7 V HA 0.280 4.400 4.120 0.000 0.000 0.282 7 V C -0.558 175.595 176.094 0.098 0.000 1.014 7 V CA 0.052 62.455 62.300 0.172 0.000 0.838 7 V CB 0.766 32.751 31.823 0.271 0.000 1.018 7 V HN 0.704 nan 8.190 nan 0.000 0.432 8 I N 4.173 124.717 120.570 -0.043 0.000 2.328 8 I HA 0.612 4.782 4.170 0.000 0.000 0.287 8 I C 0.799 176.590 176.117 -0.544 0.000 1.012 8 I CA -0.220 60.956 61.300 -0.205 0.000 1.195 8 I CB 1.691 39.524 38.000 -0.278 0.000 1.350 8 I HN 0.652 nan 8.210 nan 0.000 0.464 9 G N 5.348 113.748 108.800 -0.667 0.000 2.372 9 G HA2 0.485 4.446 3.960 0.000 0.000 0.323 9 G HA3 0.485 4.446 3.960 0.000 0.000 0.323 9 G C -1.186 173.369 174.900 -0.576 0.000 1.152 9 G CA -0.332 44.008 45.100 -1.268 0.000 0.906 9 G HN 0.340 nan 8.290 nan 0.000 0.460 10 Y N 0.926 120.936 120.300 -0.483 0.000 2.359 10 Y HA 0.248 4.798 4.550 0.000 0.000 0.330 10 Y C -0.163 175.648 175.900 -0.148 0.000 1.143 10 Y CA 0.263 58.244 58.100 -0.200 0.000 1.318 10 Y CB 1.109 39.508 38.460 -0.102 0.000 1.234 10 Y HN 0.530 nan 8.280 nan 0.000 0.522 11 Y N 6.014 126.292 120.300 -0.036 0.000 2.402 11 Y HA 0.371 4.921 4.550 0.000 0.000 0.332 11 Y C -1.645 174.160 175.900 -0.158 0.000 0.960 11 Y CA -1.637 56.472 58.100 0.015 0.000 1.228 11 Y CB 0.257 38.810 38.460 0.155 0.000 1.120 11 Y HN 0.503 nan 8.280 nan 0.000 0.491 12 F N 8.475 127.910 119.950 -0.860 0.000 2.427 12 F HA 0.648 5.175 4.527 0.000 0.000 0.346 12 F C -1.501 173.883 175.800 -0.692 0.000 1.120 12 F CA -1.606 55.916 58.000 -0.797 0.000 1.033 12 F CB 0.829 39.275 39.000 -0.923 0.000 1.126 12 F HN 0.467 nan 8.300 nan 0.000 0.462 13 I N 8.731 128.533 120.570 -1.280 0.000 2.534 13 I HA 0.444 4.614 4.170 0.000 0.000 0.286 13 I C -2.728 172.889 176.117 -0.834 0.000 1.094 13 I CA -2.442 58.327 61.300 -0.885 0.000 1.055 13 I CB 2.066 39.956 38.000 -0.185 0.000 1.225 13 I HN 0.414 nan 8.210 nan 0.000 0.435 14 P HA 0.209 nan 4.420 nan 0.000 0.272 14 P C 0.554 177.825 177.300 -0.049 0.000 1.223 14 P CA -0.181 62.732 63.100 -0.312 0.000 0.784 14 P CB 0.677 32.283 31.700 -0.156 0.000 0.923 15 T N 0.400 115.001 114.554 0.079 0.000 2.737 15 T HA -0.211 4.139 4.350 0.000 0.000 0.269 15 T C 1.598 176.357 174.700 0.098 0.000 1.040 15 T CA 2.016 64.201 62.100 0.142 0.000 1.142 15 T CB -0.751 68.227 68.868 0.183 0.000 0.861 15 T HN 0.522 nan 8.240 nan 0.000 0.456 16 N N 0.661 119.401 118.700 0.067 0.000 2.309 16 N HA -0.059 4.681 4.740 0.000 0.000 0.182 16 N C 1.908 177.455 175.510 0.062 0.000 1.018 16 N CA 1.015 54.100 53.050 0.059 0.000 0.876 16 N CB -0.087 38.426 38.487 0.044 0.000 0.972 16 N HN 0.479 nan 8.380 nan 0.000 0.434 17 Q N -0.549 119.286 119.800 0.058 0.000 2.187 17 Q HA 0.074 4.414 4.340 0.000 0.000 0.199 17 Q C 1.891 178.002 176.000 0.186 0.000 0.957 17 Q CA 0.691 56.549 55.803 0.092 0.000 0.857 17 Q CB 0.186 28.956 28.738 0.052 0.000 0.929 17 Q HN 0.475 nan 8.270 nan 0.000 0.453 18 I N 1.249 121.920 120.570 0.169 0.000 2.202 18 I HA -0.271 3.899 4.170 0.000 0.000 0.242 18 I C 1.546 177.750 176.117 0.144 0.000 1.091 18 I CA 0.824 62.234 61.300 0.183 0.000 1.368 18 I CB -0.235 37.862 38.000 0.163 0.000 1.058 18 I HN 0.189 nan 8.210 nan 0.000 0.410 19 N N 0.965 119.728 118.700 0.104 0.000 2.364 19 N HA -0.118 4.622 4.740 0.000 0.000 0.183 19 N C 0.766 176.324 175.510 0.080 0.000 1.022 19 N CA 0.997 54.091 53.050 0.073 0.000 0.883 19 N CB -0.294 38.229 38.487 0.058 0.000 0.965 19 N HN 0.402 nan 8.380 nan 0.000 0.438 20 N N -0.318 118.440 118.700 0.098 0.000 2.338 20 N HA -0.027 4.713 4.740 0.000 0.000 0.251 20 N C -0.663 174.900 175.510 0.087 0.000 1.199 20 N CA -0.288 52.806 53.050 0.074 0.000 0.879 20 N CB 0.326 38.839 38.487 0.044 0.000 1.159 20 N HN 0.199 nan 8.380 nan 0.000 0.514 21 Y N 2.258 122.572 120.300 0.023 0.000 2.810 21 Y HA -0.020 4.531 4.550 0.000 0.000 0.332 21 Y C 0.565 176.476 175.900 0.018 0.000 1.243 21 Y CA 0.929 59.048 58.100 0.030 0.000 1.537 21 Y CB 0.433 38.917 38.460 0.040 0.000 1.265 21 Y HN -0.102 nan 8.280 nan 0.000 0.572 22 T N 5.057 119.215 114.554 -0.659 0.000 2.932 22 T HA 0.294 4.644 4.350 0.000 0.000 0.318 22 T C -0.432 173.920 174.700 -0.580 0.000 1.265 22 T CA -0.719 61.107 62.100 -0.456 0.000 1.036 22 T CB 1.165 69.914 68.868 -0.197 0.000 1.209 22 T HN 0.755 nan 8.240 nan 0.000 0.484 23 E N 1.741 121.728 120.200 -0.355 0.000 2.499 23 E HA 0.144 4.495 4.350 0.000 0.000 0.199 23 E C 0.588 177.107 176.600 -0.135 0.000 1.016 23 E CA 0.057 56.311 56.400 -0.243 0.000 0.933 23 E CB 0.556 30.173 29.700 -0.138 0.000 1.050 23 E HN 0.721 nan 8.360 nan 0.000 0.462 24 T N -2.279 112.202 114.554 -0.122 0.000 3.288 24 T HA 0.138 4.488 4.350 0.000 0.000 0.293 24 T C -0.188 174.476 174.700 -0.061 0.000 1.008 24 T CA -0.512 61.545 62.100 -0.072 0.000 0.929 24 T CB 0.353 69.189 68.868 -0.053 0.000 1.152 24 T HN -0.155 nan 8.240 nan 0.000 0.517 25 D N 1.692 122.047 120.400 -0.074 0.000 2.337 25 D HA 0.183 4.824 4.640 0.000 0.000 0.238 25 D C 1.197 177.470 176.300 -0.045 0.000 1.331 25 D CA -0.111 53.858 54.000 -0.051 0.000 0.967 25 D CB 1.607 42.377 40.800 -0.049 0.000 1.382 25 D HN 0.185 nan 8.370 nan 0.000 0.549 26 T N -0.970 113.569 114.554 -0.024 0.000 3.051 26 T HA -0.120 4.230 4.350 0.000 0.000 0.269 26 T C 1.612 176.312 174.700 -0.000 0.000 1.127 26 T CA 1.212 63.310 62.100 -0.004 0.000 1.107 26 T CB -0.097 68.780 68.868 0.015 0.000 0.898 26 T HN 0.207 nan 8.240 nan 0.000 0.517 27 S N 0.307 116.002 115.700 -0.008 0.000 2.489 27 S HA 0.089 4.560 4.470 0.000 0.000 0.228 27 S C 1.756 176.353 174.600 -0.005 0.000 0.995 27 S CA 0.271 58.468 58.200 -0.005 0.000 0.934 27 S CB -0.377 62.820 63.200 -0.006 0.000 0.771 27 S HN 0.403 nan 8.310 nan 0.000 0.522 28 V N 0.536 120.442 119.914 -0.014 0.000 2.521 28 V HA 0.268 4.388 4.120 0.000 0.000 0.239 28 V C 0.540 176.627 176.094 -0.011 0.000 1.053 28 V CA 0.502 62.793 62.300 -0.015 0.000 1.073 28 V CB 0.199 32.004 31.823 -0.030 0.000 0.746 28 V HN 0.403 nan 8.190 nan 0.000 0.476 29 V N 1.676 121.572 119.914 -0.030 0.000 2.340 29 V HA 0.301 4.421 4.120 0.000 0.000 0.277 29 V C -1.941 174.166 176.094 0.021 0.000 1.017 29 V CA -0.910 61.384 62.300 -0.010 0.000 0.820 29 V CB 1.353 33.119 31.823 -0.095 0.000 1.028 29 V HN 0.301 nan 8.190 nan 0.000 0.436 30 P HA -0.089 nan 4.420 nan 0.000 0.218 30 P C 0.141 177.578 177.300 0.229 0.000 1.148 30 P CA 1.233 64.400 63.100 0.113 0.000 0.822 30 P CB 0.162 31.925 31.700 0.104 0.000 0.784 31 F N 0.814 120.801 119.950 0.062 0.000 2.809 31 F HA 0.401 4.928 4.527 0.000 0.000 0.369 31 F C -2.703 173.245 175.800 0.247 0.000 1.225 31 F CA -3.137 54.941 58.000 0.129 0.000 1.201 31 F CB 0.875 39.949 39.000 0.123 0.000 1.527 31 F HN -0.198 nan 8.300 nan 0.000 0.565 32 P HA 0.107 nan 4.420 nan 0.000 0.276 32 P C 0.940 178.171 177.300 -0.114 0.000 1.252 32 P CA -0.148 62.971 63.100 0.030 0.000 0.802 32 P CB 1.966 33.595 31.700 -0.119 0.000 1.035 33 V N 0.918 120.885 119.914 0.088 0.000 2.568 33 V HA -0.223 3.898 4.120 0.000 0.000 0.253 33 V C 2.533 178.564 176.094 -0.104 0.000 1.072 33 V CA 2.603 64.834 62.300 -0.115 0.000 1.084 33 V CB -1.791 29.950 31.823 -0.137 0.000 0.676 33 V HN 0.720 nan 8.190 nan 0.000 0.469 34 S N -0.009 115.658 115.700 -0.055 0.000 2.500 34 S HA -0.179 4.292 4.470 0.000 0.000 0.239 34 S C 1.507 176.060 174.600 -0.078 0.000 0.989 34 S CA 1.483 59.656 58.200 -0.046 0.000 0.951 34 S CB -0.859 62.326 63.200 -0.026 0.000 0.759 34 S HN 0.761 nan 8.310 nan 0.000 0.523 35 N N 0.747 119.334 118.700 -0.188 0.000 2.494 35 N HA 0.179 4.919 4.740 0.000 0.000 0.182 35 N C -0.221 175.283 175.510 -0.010 0.000 1.076 35 N CA 0.384 53.347 53.050 -0.145 0.000 0.908 35 N CB -0.006 38.271 38.487 -0.350 0.000 0.967 35 N HN 0.474 nan 8.380 nan 0.000 0.449 36 I N 2.440 122.999 120.570 -0.018 0.000 2.256 36 I HA 0.029 4.199 4.170 0.000 0.000 0.294 36 I C 0.849 177.002 176.117 0.060 0.000 1.127 36 I CA -0.406 60.954 61.300 0.099 0.000 1.247 36 I CB 0.238 38.310 38.000 0.120 0.000 1.460 36 I HN 0.007 nan 8.210 nan 0.000 0.511 37 T N 2.790 117.374 114.554 0.050 0.000 2.754 37 T HA 0.220 4.570 4.350 0.000 0.000 0.286 37 T C -1.719 172.949 174.700 -0.053 0.000 0.997 37 T CA -1.433 60.661 62.100 -0.009 0.000 0.982 37 T CB 0.884 69.746 68.868 -0.010 0.000 1.027 37 T HN 0.198 nan 8.240 nan 0.000 0.529 38 P HA -0.015 nan 4.420 nan 0.000 0.216 38 P C 1.646 178.882 177.300 -0.107 0.000 1.150 38 P CA 1.470 64.346 63.100 -0.374 0.000 0.837 38 P CB -0.334 30.958 31.700 -0.681 0.000 0.786 39 A N -0.039 122.744 122.820 -0.062 0.000 1.902 39 A HA -0.221 4.099 4.320 0.000 0.000 0.217 39 A C 2.057 179.663 177.584 0.038 0.000 1.181 39 A CA 1.749 53.782 52.037 -0.005 0.000 0.623 39 A CB -0.957 18.041 19.000 -0.003 0.000 0.818 39 A HN 0.154 nan 8.150 nan 0.000 0.443 40 K N -0.273 120.163 120.400 0.059 0.000 2.097 40 K HA 0.028 4.349 4.320 0.000 0.000 0.205 40 K C 2.253 178.931 176.600 0.130 0.000 1.050 40 K CA 0.972 57.327 56.287 0.113 0.000 0.938 40 K CB -0.306 32.288 32.500 0.155 0.000 0.718 40 K HN 0.418 nan 8.250 nan 0.000 0.442 41 A N 1.964 124.854 122.820 0.116 0.000 1.972 41 A HA -0.189 4.132 4.320 0.000 0.000 0.219 41 A C 1.800 179.455 177.584 0.118 0.000 1.169 41 A CA 1.482 53.600 52.037 0.134 0.000 0.635 41 A CB -0.251 18.854 19.000 0.175 0.000 0.810 41 A HN 0.196 nan 8.150 nan 0.000 0.446 42 K N -0.729 119.730 120.400 0.099 0.000 2.296 42 K HA -0.057 4.263 4.320 0.000 0.000 0.200 42 K C 1.942 178.596 176.600 0.089 0.000 1.048 42 K CA 1.089 57.429 56.287 0.087 0.000 0.966 42 K CB -0.054 32.487 32.500 0.068 0.000 0.754 42 K HN 0.591 nan 8.250 nan 0.000 0.466 43 Q N 0.175 120.035 119.800 0.100 0.000 2.432 43 Q HA 0.076 4.417 4.340 0.000 0.000 0.205 43 Q C -0.026 176.067 176.000 0.154 0.000 0.945 43 Q CA 0.356 56.227 55.803 0.114 0.000 0.924 43 Q CB 0.261 29.061 28.738 0.104 0.000 1.016 43 Q HN 0.188 nan 8.270 nan 0.000 0.503 44 L N -0.496 120.819 121.223 0.155 0.000 2.344 44 L HA 0.235 4.576 4.340 0.000 0.000 0.272 44 L C 1.170 178.109 176.870 0.115 0.000 1.035 44 L CA -0.241 54.698 54.840 0.165 0.000 0.807 44 L CB 1.619 43.776 42.059 0.164 0.000 1.237 44 L HN 0.032 nan 8.230 nan 0.000 0.442 45 T N -3.570 111.058 114.554 0.124 0.000 3.000 45 T HA 0.229 4.579 4.350 0.000 0.000 0.248 45 T C 0.260 174.905 174.700 -0.092 0.000 1.034 45 T CA 0.171 62.302 62.100 0.051 0.000 1.060 45 T CB 0.040 68.993 68.868 0.142 0.000 0.983 45 T HN 0.521 nan 8.240 nan 0.000 0.482 46 H N -0.515 118.554 119.070 -0.001 0.000 2.894 46 H HA 0.677 5.234 4.556 0.000 0.000 0.367 46 H C -1.351 173.944 175.328 -0.054 0.000 1.144 46 H CA -0.819 55.218 56.048 -0.019 0.000 1.180 46 H CB 1.728 31.453 29.762 -0.061 0.000 1.758 46 H HN 0.146 nan 8.280 nan 0.000 0.541 47 I N 2.257 122.886 120.570 0.098 0.000 2.436 47 I HA 0.231 4.401 4.170 0.000 0.000 0.289 47 I C -0.532 175.595 176.117 0.018 0.000 1.010 47 I CA -0.811 60.514 61.300 0.043 0.000 1.098 47 I CB 1.347 39.420 38.000 0.121 0.000 1.266 47 I HN 0.502 nan 8.210 nan 0.000 0.434 48 N N 6.386 124.976 118.700 -0.185 0.000 2.500 48 N HA 0.206 4.946 4.740 0.000 0.000 0.236 48 N C -0.687 174.768 175.510 -0.091 0.000 1.022 48 N CA -0.273 52.603 53.050 -0.290 0.000 0.935 48 N CB 0.528 38.441 38.487 -0.955 0.000 1.147 48 N HN 0.372 nan 8.380 nan 0.000 0.512 49 F N 2.497 122.459 119.950 0.019 0.000 2.495 49 F HA 0.276 4.803 4.527 0.000 0.000 0.365 49 F C 0.376 176.197 175.800 0.035 0.000 1.090 49 F CA -0.335 57.759 58.000 0.157 0.000 1.235 49 F CB 0.403 39.589 39.000 0.310 0.000 1.119 49 F HN 0.344 nan 8.300 nan 0.000 0.562 50 S N 5.307 120.523 115.700 -0.807 0.000 2.541 50 S HA 0.765 5.235 4.470 0.000 0.000 0.280 50 S C -1.311 172.992 174.600 -0.495 0.000 1.112 50 S CA -0.785 56.984 58.200 -0.718 0.000 0.925 50 S CB 1.553 64.076 63.200 -1.129 0.000 1.067 50 S HN 0.489 nan 8.310 nan 0.000 0.479 51 F N 0.677 120.733 119.950 0.177 0.000 2.563 51 F HA 0.717 5.244 4.527 0.000 0.000 0.316 51 F C -0.325 175.628 175.800 0.256 0.000 1.076 51 F CA -0.896 57.261 58.000 0.262 0.000 0.921 51 F CB 1.574 40.803 39.000 0.381 0.000 1.209 51 F HN 0.500 nan 8.300 nan 0.000 0.462 52 L N 1.066 122.507 121.223 0.363 0.000 2.397 52 L HA 0.598 4.938 4.340 0.000 0.000 0.266 52 L C -0.474 176.493 176.870 0.163 0.000 1.040 52 L CA -0.187 54.707 54.840 0.090 0.000 0.800 52 L CB 1.165 43.138 42.059 -0.144 0.000 1.324 52 L HN 0.623 nan 8.230 nan 0.000 0.469 53 D N -1.447 118.922 120.400 -0.052 0.000 2.798 53 D HA 0.524 5.164 4.640 0.000 0.000 0.308 53 D C -1.491 174.700 176.300 -0.182 0.000 1.187 53 D CA -0.350 53.534 54.000 -0.194 0.000 1.033 53 D CB 1.351 41.728 40.800 -0.706 0.000 1.445 53 D HN 0.246 nan 8.370 nan 0.000 0.550 54 I N 2.055 122.402 120.570 -0.371 0.000 2.406 54 I HA 0.320 4.491 4.170 0.000 0.000 0.290 54 I C -0.059 175.861 176.117 -0.328 0.000 0.999 54 I CA -0.912 60.136 61.300 -0.420 0.000 1.124 54 I CB 1.474 38.925 38.000 -0.915 0.000 1.289 54 I HN 0.341 nan 8.210 nan 0.000 0.441 55 N N 3.189 121.773 118.700 -0.194 0.000 2.476 55 N HA 0.121 4.861 4.740 0.000 0.000 0.287 55 N C 0.837 176.262 175.510 -0.142 0.000 1.262 55 N CA -0.549 52.416 53.050 -0.141 0.000 0.980 55 N CB 0.373 38.820 38.487 -0.067 0.000 1.163 55 N HN 0.532 nan 8.380 nan 0.000 0.592 56 S N -1.955 113.686 115.700 -0.098 0.000 2.507 56 S HA -0.138 4.332 4.470 0.000 0.000 0.235 56 S C 1.032 175.587 174.600 -0.076 0.000 0.988 56 S CA 0.597 58.743 58.200 -0.090 0.000 0.944 56 S CB -0.824 62.340 63.200 -0.061 0.000 0.762 56 S HN 0.734 nan 8.310 nan 0.000 0.526 57 N N 1.323 119.988 118.700 -0.059 0.000 2.398 57 N HA 0.128 4.869 4.740 0.000 0.000 0.188 57 N C -0.133 175.350 175.510 -0.045 0.000 1.122 57 N CA 0.302 53.329 53.050 -0.038 0.000 0.866 57 N CB -0.216 38.262 38.487 -0.015 0.000 0.970 57 N HN 0.427 nan 8.380 nan 0.000 0.462 58 L N 0.180 121.349 121.223 -0.090 0.000 3.717 58 L HA -0.226 4.114 4.340 0.000 0.000 0.411 58 L C -1.002 175.863 176.870 -0.008 0.000 1.233 58 L CA 0.770 55.536 54.840 -0.123 0.000 0.917 58 L CB -2.017 39.972 42.059 -0.117 0.000 1.902 58 L HN 0.287 nan 8.230 nan 0.000 0.894 59 E N -0.621 119.594 120.200 0.025 0.000 2.312 59 E HA 0.414 4.764 4.350 0.000 0.000 0.267 59 E C -0.335 176.339 176.600 0.123 0.000 0.894 59 E CA -0.826 55.656 56.400 0.137 0.000 0.773 59 E CB 2.660 32.404 29.700 0.074 0.000 1.241 59 E HN 0.277 nan 8.360 nan 0.000 0.432 60 C N 2.055 121.469 119.300 0.190 0.000 2.642 60 C HA 0.591 5.052 4.460 0.000 0.000 0.420 60 C C 0.075 175.095 174.990 0.049 0.000 1.349 60 C CA 0.228 59.329 59.018 0.138 0.000 1.821 60 C CB -1.589 26.226 27.740 0.126 0.000 2.637 60 C HN 0.662 nan 8.230 nan 0.000 0.605 61 A N 5.022 127.840 122.820 -0.002 0.000 2.601 61 A HA 0.694 5.015 4.320 0.000 0.000 0.291 61 A C -1.485 176.085 177.584 -0.023 0.000 1.075 61 A CA -0.676 51.374 52.037 0.022 0.000 0.671 61 A CB 0.233 19.268 19.000 0.059 0.000 1.277 61 A HN 0.918 nan 8.150 nan 0.000 0.417 62 W N 0.806 122.100 121.300 -0.010 0.000 2.161 62 W HA 0.427 5.087 4.660 0.000 0.000 0.344 62 W C 0.567 177.110 176.519 0.039 0.000 1.262 62 W CA 0.810 58.169 57.345 0.025 0.000 1.270 62 W CB 0.513 29.966 29.460 -0.011 0.000 1.126 62 W HN 0.741 nan 8.180 nan 0.000 0.598 63 D N 2.263 122.872 120.400 0.348 0.000 2.493 63 D HA -0.033 4.608 4.640 0.000 0.000 0.240 63 D C -1.439 174.998 176.300 0.229 0.000 1.142 63 D CA -1.148 53.005 54.000 0.254 0.000 0.872 63 D CB 1.197 42.210 40.800 0.355 0.000 1.173 63 D HN -0.015 nan 8.370 nan 0.000 0.467 64 P HA -0.094 nan 4.420 nan 0.000 0.220 64 P C 0.682 178.046 177.300 0.106 0.000 1.144 64 P CA 1.493 64.664 63.100 0.117 0.000 0.800 64 P CB 0.112 31.862 31.700 0.084 0.000 0.772 65 A N -1.538 121.357 122.820 0.124 0.000 2.206 65 A HA 0.034 4.355 4.320 0.000 0.000 0.211 65 A C 0.916 178.557 177.584 0.095 0.000 1.158 65 A CA 0.625 52.724 52.037 0.104 0.000 0.761 65 A CB -1.181 17.888 19.000 0.116 0.000 0.801 65 A HN 0.128 nan 8.150 nan 0.000 0.473 66 T N 1.881 116.503 114.554 0.113 0.000 2.870 66 T HA 0.099 4.449 4.350 0.000 0.000 0.300 66 T C 0.254 174.941 174.700 -0.021 0.000 0.989 66 T CA -0.420 61.720 62.100 0.067 0.000 1.139 66 T CB 0.377 69.299 68.868 0.090 0.000 0.920 66 T HN 0.398 nan 8.240 nan 0.000 0.537 67 N N 2.512 121.190 118.700 -0.037 0.000 2.416 67 N HA -0.024 4.717 4.740 0.000 0.000 0.265 67 N C 0.725 176.147 175.510 -0.147 0.000 1.195 67 N CA -0.076 52.938 53.050 -0.061 0.000 0.943 67 N CB 1.078 39.545 38.487 -0.033 0.000 1.115 67 N HN 0.635 nan 8.380 nan 0.000 0.481 68 D N 3.796 124.100 120.400 -0.159 0.000 2.117 68 D HA -0.091 4.550 4.640 0.000 0.000 0.197 68 D C 1.670 177.845 176.300 -0.208 0.000 0.987 68 D CA 1.677 55.534 54.000 -0.238 0.000 0.829 68 D CB 0.220 40.932 40.800 -0.147 0.000 0.961 68 D HN 0.657 nan 8.370 nan 0.000 0.460 69 A N 0.551 123.288 122.820 -0.138 0.000 1.877 69 A HA -0.189 4.131 4.320 0.000 0.000 0.216 69 A C 2.112 179.617 177.584 -0.133 0.000 1.186 69 A CA 1.395 53.360 52.037 -0.121 0.000 0.620 69 A CB -0.437 18.514 19.000 -0.082 0.000 0.822 69 A HN 0.072 nan 8.150 nan 0.000 0.443 70 K N -0.063 120.267 120.400 -0.117 0.000 2.097 70 K HA -0.050 4.271 4.320 0.000 0.000 0.206 70 K C 2.232 178.722 176.600 -0.182 0.000 1.049 70 K CA 1.291 57.517 56.287 -0.101 0.000 0.933 70 K CB -0.775 31.703 32.500 -0.036 0.000 0.717 70 K HN 0.475 nan 8.250 nan 0.000 0.442 71 A N 1.573 124.222 122.820 -0.286 0.000 1.873 71 A HA -0.161 4.159 4.320 0.000 0.000 0.215 71 A C 2.246 179.607 177.584 -0.371 0.000 1.186 71 A CA 1.312 53.064 52.037 -0.475 0.000 0.616 71 A CB -0.388 17.923 19.000 -1.148 0.000 0.823 71 A HN 0.251 nan 8.150 nan 0.000 0.442 72 R N -0.629 119.714 120.500 -0.263 0.000 2.096 72 R HA -0.161 4.180 4.340 0.000 0.000 0.235 72 R C 1.981 178.164 176.300 -0.196 0.000 1.127 72 R CA 1.614 57.618 56.100 -0.159 0.000 0.968 72 R CB -0.424 29.786 30.300 -0.150 0.000 0.861 72 R HN 0.725 nan 8.270 nan 0.000 0.440 73 D N 0.007 120.292 120.400 -0.191 0.000 2.117 73 D HA -0.122 4.519 4.640 0.000 0.000 0.197 73 D C 1.713 177.857 176.300 -0.259 0.000 0.987 73 D CA 0.936 54.828 54.000 -0.180 0.000 0.829 73 D CB 0.220 40.944 40.800 -0.127 0.000 0.961 73 D HN -0.060 nan 8.370 nan 0.000 0.460 74 V N -0.128 119.577 119.914 -0.349 0.000 2.358 74 V HA -0.193 3.927 4.120 0.000 0.000 0.246 74 V C 2.565 178.472 176.094 -0.312 0.000 1.047 74 V CA 1.259 63.289 62.300 -0.450 0.000 1.035 74 V CB -0.311 31.284 31.823 -0.380 0.000 0.658 74 V HN 0.186 nan 8.190 nan 0.000 0.452 75 V N 0.741 120.461 119.914 -0.323 0.000 2.343 75 V HA -0.241 3.879 4.120 0.000 0.000 0.247 75 V C 2.333 178.260 176.094 -0.278 0.000 1.051 75 V CA 2.058 64.135 62.300 -0.371 0.000 1.036 75 V CB -0.926 30.591 31.823 -0.510 0.000 0.654 75 V HN 0.568 nan 8.190 nan 0.000 0.451 76 N N 0.476 119.034 118.700 -0.237 0.000 2.149 76 N HA -0.162 4.579 4.740 0.000 0.000 0.188 76 N C 1.949 177.372 175.510 -0.146 0.000 1.019 76 N CA 1.376 54.318 53.050 -0.180 0.000 0.857 76 N CB -0.383 38.013 38.487 -0.152 0.000 0.997 76 N HN 0.501 nan 8.380 nan 0.000 0.426 77 R N 0.365 120.772 120.500 -0.154 0.000 2.096 77 R HA 0.024 4.364 4.340 0.000 0.000 0.235 77 R C 2.205 178.439 176.300 -0.110 0.000 1.127 77 R CA 0.746 56.777 56.100 -0.115 0.000 0.968 77 R CB -0.293 29.936 30.300 -0.118 0.000 0.861 77 R HN 0.221 nan 8.270 nan 0.000 0.440 78 L N -0.026 121.112 121.223 -0.143 0.000 2.072 78 L HA -0.118 4.223 4.340 0.000 0.000 0.205 78 L C 2.620 179.457 176.870 -0.054 0.000 1.079 78 L CA 1.603 56.384 54.840 -0.098 0.000 0.752 78 L CB -0.684 41.329 42.059 -0.077 0.000 0.906 78 L HN 0.345 nan 8.230 nan 0.000 0.436 79 T N -2.806 111.700 114.554 -0.080 0.000 2.995 79 T HA -0.034 4.316 4.350 0.000 0.000 0.269 79 T C 1.838 176.495 174.700 -0.071 0.000 1.091 79 T CA 0.741 62.804 62.100 -0.062 0.000 1.128 79 T CB -0.243 68.571 68.868 -0.091 0.000 0.891 79 T HN 0.279 nan 8.240 nan 0.000 0.492 80 A N 1.564 124.335 122.820 -0.082 0.000 2.067 80 A HA 0.229 4.549 4.320 0.000 0.000 0.219 80 A C 2.285 179.793 177.584 -0.126 0.000 1.158 80 A CA 0.820 52.800 52.037 -0.096 0.000 0.661 80 A CB -0.844 18.110 19.000 -0.076 0.000 0.801 80 A HN 0.584 nan 8.150 nan 0.000 0.452 81 L N -0.958 120.229 121.223 -0.060 0.000 2.362 81 L HA -0.146 4.194 4.340 0.000 0.000 0.219 81 L C 2.190 179.020 176.870 -0.066 0.000 1.134 81 L CA 1.102 55.940 54.840 -0.003 0.000 0.807 81 L CB -0.373 41.734 42.059 0.079 0.000 0.927 81 L HN 0.336 nan 8.230 nan 0.000 0.447 82 K N 0.343 120.695 120.400 -0.080 0.000 2.360 82 K HA -0.099 4.221 4.320 0.000 0.000 0.201 82 K C 2.174 178.701 176.600 -0.123 0.000 1.046 82 K CA 0.973 57.219 56.287 -0.068 0.000 0.945 82 K CB -0.154 32.316 32.500 -0.049 0.000 0.750 82 K HN 0.299 nan 8.250 nan 0.000 0.464 83 A N 0.601 123.270 122.820 -0.252 0.000 2.070 83 A HA -0.163 4.157 4.320 0.000 0.000 0.220 83 A C 1.243 178.667 177.584 -0.266 0.000 1.159 83 A CA 1.280 53.142 52.037 -0.292 0.000 0.656 83 A CB -0.553 18.209 19.000 -0.397 0.000 0.800 83 A HN 0.410 nan 8.150 nan 0.000 0.453 84 H N -2.110 116.962 119.070 0.004 0.000 2.553 84 H HA 0.172 4.728 4.556 0.000 0.000 0.265 84 H C 0.043 175.379 175.328 0.013 0.000 0.964 84 H CA 0.425 56.479 56.048 0.010 0.000 1.156 84 H CB 0.332 30.104 29.762 0.016 0.000 1.411 84 H HN 0.427 nan 8.280 nan 0.000 0.558 85 N N 0.308 119.054 118.700 0.077 0.000 2.629 85 N HA 0.043 4.784 4.740 0.000 0.000 0.277 85 N C -2.478 173.041 175.510 0.015 0.000 1.188 85 N CA -1.807 51.276 53.050 0.056 0.000 0.835 85 N CB 1.442 39.972 38.487 0.071 0.000 1.420 85 N HN -0.125 nan 8.380 nan 0.000 0.542 86 P HA 0.038 nan 4.420 nan 0.000 0.239 86 P C 0.291 177.580 177.300 -0.019 0.000 1.184 86 P CA 0.577 63.671 63.100 -0.011 0.000 0.760 86 P CB 0.488 32.183 31.700 -0.007 0.000 0.884 87 S N -0.844 114.847 115.700 -0.014 0.000 2.511 87 S HA 0.101 4.571 4.470 0.000 0.000 0.214 87 S C 0.723 175.280 174.600 -0.071 0.000 0.997 87 S CA -0.418 57.763 58.200 -0.031 0.000 0.908 87 S CB -0.318 62.876 63.200 -0.010 0.000 0.803 87 S HN 0.087 nan 8.310 nan 0.000 0.504 88 L N 3.359 124.552 121.223 -0.049 0.000 2.453 88 L HA 0.268 4.609 4.340 0.000 0.000 0.272 88 L C -0.024 176.795 176.870 -0.085 0.000 1.182 88 L CA 0.551 55.352 54.840 -0.066 0.000 0.858 88 L CB 0.221 42.278 42.059 -0.002 0.000 1.120 88 L HN 0.012 nan 8.230 nan 0.000 0.474 89 R N 5.596 126.010 120.500 -0.144 0.000 2.599 89 R HA 0.541 4.881 4.340 0.000 0.000 0.295 89 R C -1.163 175.175 176.300 0.063 0.000 0.963 89 R CA -0.961 55.106 56.100 -0.056 0.000 0.883 89 R CB 1.683 31.906 30.300 -0.128 0.000 1.171 89 R HN 0.489 nan 8.270 nan 0.000 0.450 90 I N 4.732 125.398 120.570 0.161 0.000 2.307 90 I HA 0.229 4.399 4.170 0.000 0.000 0.287 90 I C 0.247 176.591 176.117 0.378 0.000 1.054 90 I CA -0.348 61.108 61.300 0.260 0.000 1.218 90 I CB 0.681 38.847 38.000 0.277 0.000 1.398 90 I HN 0.502 nan 8.210 nan 0.000 0.475 91 M N 6.258 126.011 119.600 0.254 0.000 2.227 91 M HA 0.404 4.884 4.480 0.000 0.000 0.316 91 M C -0.240 176.078 176.300 0.030 0.000 1.144 91 M CA -0.358 55.030 55.300 0.147 0.000 1.121 91 M CB 0.884 33.509 32.600 0.043 0.000 1.440 91 M HN 0.374 nan 8.290 nan 0.000 0.473 92 F N -1.228 118.479 119.950 -0.405 0.000 2.532 92 F HA 0.740 5.267 4.527 0.000 0.000 0.321 92 F C -0.652 175.010 175.800 -0.230 0.000 1.089 92 F CA -0.979 56.670 58.000 -0.586 0.000 0.926 92 F CB 1.023 39.120 39.000 -1.504 0.000 1.168 92 F HN 0.390 nan 8.300 nan 0.000 0.459 93 S N 4.002 119.674 115.700 -0.047 0.000 2.437 93 S HA 0.645 5.116 4.470 0.000 0.000 0.305 93 S C -0.413 174.358 174.600 0.284 0.000 1.109 93 S CA -0.596 57.650 58.200 0.076 0.000 1.099 93 S CB 0.919 64.291 63.200 0.287 0.000 1.004 93 S HN 0.567 nan 8.310 nan 0.000 0.475 94 I N 3.173 123.881 120.570 0.229 0.000 2.336 94 I HA 0.632 4.803 4.170 0.000 0.000 0.292 94 I C 0.976 177.329 176.117 0.394 0.000 0.991 94 I CA 0.019 61.514 61.300 0.325 0.000 1.227 94 I CB 0.911 39.067 38.000 0.259 0.000 1.366 94 I HN 0.914 nan 8.210 nan 0.000 0.466 95 G N 4.281 113.320 108.800 0.398 0.000 2.637 95 G HA2 0.310 4.271 3.960 0.000 0.000 0.211 95 G HA3 0.310 4.271 3.960 0.000 0.000 0.211 95 G C 0.027 174.706 174.900 -0.368 0.000 1.213 95 G CA 0.022 45.200 45.100 0.129 0.000 1.207 95 G HN 1.531 nan 8.290 nan 0.000 0.559 96 G N -1.930 106.503 108.800 -0.610 0.000 2.699 96 G HA2 0.091 4.052 3.960 0.000 0.000 0.686 96 G HA3 0.091 4.052 3.960 0.000 0.000 0.686 96 G C 0.724 175.231 174.900 -0.655 0.000 1.301 96 G CA 0.488 44.916 45.100 -1.120 0.000 0.816 96 G HN 1.954 nan 8.290 nan 0.000 0.595 97 W N 0.491 121.370 121.300 -0.702 0.000 2.333 97 W HA -0.209 4.452 4.660 0.000 0.000 0.316 97 W C 2.091 178.363 176.519 -0.412 0.000 1.215 97 W CA 2.678 59.707 57.345 -0.526 0.000 1.278 97 W CB -0.375 28.806 29.460 -0.464 0.000 1.154 97 W HN 0.719 nan 8.180 nan 0.000 0.486 98 Y N 0.480 120.525 120.300 -0.425 0.000 2.114 98 Y HA -0.349 4.201 4.550 0.000 0.000 0.282 98 Y C 2.409 178.066 175.900 -0.406 0.000 1.165 98 Y CA 2.783 60.630 58.100 -0.422 0.000 1.148 98 Y CB -1.236 36.977 38.460 -0.412 0.000 0.972 98 Y HN -0.080 nan 8.280 nan 0.000 0.504 99 Y N -0.790 119.279 120.300 -0.385 0.000 2.286 99 Y HA -0.062 4.489 4.550 0.000 0.000 0.293 99 Y C 2.803 178.377 175.900 -0.543 0.000 1.124 99 Y CA 1.164 59.027 58.100 -0.394 0.000 1.178 99 Y CB -0.871 37.499 38.460 -0.150 0.000 1.010 99 Y HN 0.284 nan 8.280 nan 0.000 0.536 100 S N -0.292 115.063 115.700 -0.574 0.000 2.539 100 S HA 0.092 4.562 4.470 0.000 0.000 0.221 100 S C 0.338 174.550 174.600 -0.647 0.000 0.987 100 S CA -0.421 57.270 58.200 -0.849 0.000 0.929 100 S CB -1.179 61.278 63.200 -1.239 0.000 0.832 100 S HN 0.486 nan 8.310 nan 0.000 0.492 101 N N 1.590 119.750 118.700 -0.901 0.000 2.371 101 N HA 0.089 4.829 4.740 0.000 0.000 0.243 101 N C 0.237 175.285 175.510 -0.770 0.000 1.287 101 N CA 0.055 52.446 53.050 -1.098 0.000 0.911 101 N CB 0.168 37.294 38.487 -2.269 0.000 1.142 101 N HN -0.177 nan 8.380 nan 0.000 0.451 102 D N 0.012 119.975 120.400 -0.729 0.000 2.172 102 D HA -0.153 4.487 4.640 0.000 0.000 0.196 102 D C 1.077 176.981 176.300 -0.660 0.000 0.999 102 D CA 1.456 54.910 54.000 -0.910 0.000 0.856 102 D CB -0.130 40.393 40.800 -0.461 0.000 0.934 102 D HN 0.537 nan 8.370 nan 0.000 0.453 103 L N -0.286 120.657 121.223 -0.466 0.000 2.700 103 L HA 0.304 4.645 4.340 0.000 0.000 0.234 103 L C 1.271 177.943 176.870 -0.330 0.000 1.156 103 L CA -0.517 54.137 54.840 -0.310 0.000 0.946 103 L CB 0.419 42.354 42.059 -0.207 0.000 1.216 103 L HN -0.110 nan 8.230 nan 0.000 0.493 104 G N -0.112 108.424 108.800 -0.440 0.000 2.572 104 G HA2 0.285 4.245 3.960 0.000 0.000 0.261 104 G HA3 0.285 4.245 3.960 0.000 0.000 0.261 104 G C 1.225 175.931 174.900 -0.323 0.000 1.197 104 G CA -0.003 44.812 45.100 -0.476 0.000 0.870 104 G HN 0.007 nan 8.290 nan 0.000 0.548 105 V N -1.405 118.285 119.914 -0.374 0.000 2.568 105 V HA -0.074 4.046 4.120 0.000 0.000 0.253 105 V C 1.725 177.754 176.094 -0.108 0.000 1.072 105 V CA 2.239 64.417 62.300 -0.203 0.000 1.084 105 V CB -0.344 31.380 31.823 -0.165 0.000 0.676 105 V HN 0.426 nan 8.190 nan 0.000 0.469 106 S N -1.431 114.213 115.700 -0.093 0.000 2.730 106 S HA 0.217 4.688 4.470 0.000 0.000 0.244 106 S C 1.401 175.997 174.600 -0.008 0.000 1.022 106 S CA 0.049 58.221 58.200 -0.047 0.000 1.014 106 S CB -0.504 62.680 63.200 -0.026 0.000 0.963 106 S HN 0.800 nan 8.310 nan 0.000 0.540 107 H N 2.422 121.379 119.070 -0.188 0.000 2.357 107 H HA -0.176 4.380 4.556 0.000 0.000 0.296 107 H C 2.141 177.365 175.328 -0.173 0.000 1.108 107 H CA 1.894 57.793 56.048 -0.248 0.000 1.273 107 H CB -0.078 29.525 29.762 -0.264 0.000 1.367 107 H HN 0.475 nan 8.280 nan 0.000 0.498 108 A N 1.169 123.895 122.820 -0.156 0.000 1.978 108 A HA -0.212 4.108 4.320 0.000 0.000 0.220 108 A C 2.209 179.625 177.584 -0.280 0.000 1.170 108 A CA 1.614 53.529 52.037 -0.204 0.000 0.636 108 A CB -0.363 18.581 19.000 -0.094 0.000 0.810 108 A HN 0.552 nan 8.150 nan 0.000 0.448 109 N N -1.041 117.493 118.700 -0.277 0.000 2.244 109 N HA -0.143 4.598 4.740 0.000 0.000 0.183 109 N C 1.414 176.552 175.510 -0.619 0.000 1.016 109 N CA 1.531 54.351 53.050 -0.384 0.000 0.866 109 N CB -0.587 37.670 38.487 -0.383 0.000 0.980 109 N HN 0.660 nan 8.380 nan 0.000 0.430 110 Y N 1.044 120.875 120.300 -0.782 0.000 2.163 110 Y HA -0.064 4.486 4.550 0.000 0.000 0.288 110 Y C 2.528 177.834 175.900 -0.991 0.000 1.136 110 Y CA 0.604 57.999 58.100 -1.175 0.000 1.147 110 Y CB -0.773 36.482 38.460 -2.008 0.000 0.987 110 Y HN -0.197 nan 8.280 nan 0.000 0.509 111 V N 0.542 120.069 119.914 -0.646 0.000 2.287 111 V HA -0.346 3.774 4.120 0.000 0.000 0.248 111 V C 1.580 177.585 176.094 -0.148 0.000 1.053 111 V CA 2.458 64.622 62.300 -0.227 0.000 1.027 111 V CB -0.786 30.920 31.823 -0.195 0.000 0.646 111 V HN 0.493 nan 8.190 nan 0.000 0.447 112 N N 0.030 118.601 118.700 -0.215 0.000 2.300 112 N HA -0.012 4.729 4.740 0.000 0.000 0.179 112 N C 1.821 177.232 175.510 -0.165 0.000 1.016 112 N CA 0.949 53.908 53.050 -0.151 0.000 0.876 112 N CB -0.265 38.136 38.487 -0.144 0.000 0.979 112 N HN 0.472 nan 8.380 nan 0.000 0.432 113 A N 0.815 123.462 122.820 -0.289 0.000 2.015 113 A HA -0.058 4.262 4.320 0.000 0.000 0.219 113 A C 2.065 179.544 177.584 -0.174 0.000 1.163 113 A CA 1.138 52.992 52.037 -0.304 0.000 0.646 113 A CB -0.483 18.118 19.000 -0.664 0.000 0.806 113 A HN 0.246 nan 8.150 nan 0.000 0.448 114 V N -3.460 116.387 119.914 -0.111 0.000 3.633 114 V HA 0.163 4.284 4.120 0.000 0.000 0.283 114 V C 1.491 177.627 176.094 0.069 0.000 1.305 114 V CA 0.862 63.192 62.300 0.050 0.000 1.153 114 V CB -0.473 31.483 31.823 0.221 0.000 0.950 114 V HN 0.394 nan 8.190 nan 0.000 0.432 115 K N 1.752 122.169 120.400 0.027 0.000 2.026 115 K HA -0.006 4.314 4.320 0.000 0.000 0.208 115 K C 1.172 177.794 176.600 0.036 0.000 1.048 115 K CA 1.851 58.158 56.287 0.033 0.000 0.929 115 K CB -0.115 32.390 32.500 0.009 0.000 0.713 115 K HN 0.789 nan 8.250 nan 0.000 0.439 116 T N -3.551 111.021 114.554 0.030 0.000 2.907 116 T HA 0.265 4.615 4.350 0.000 0.000 0.290 116 T C -2.474 172.247 174.700 0.036 0.000 1.066 116 T CA -2.000 60.117 62.100 0.030 0.000 1.012 116 T CB 1.886 70.766 68.868 0.020 0.000 1.184 116 T HN -0.288 nan 8.240 nan 0.000 0.522 117 P HA -0.023 nan 4.420 nan 0.000 0.215 117 P C 1.653 178.973 177.300 0.033 0.000 1.153 117 P CA 1.712 64.831 63.100 0.032 0.000 0.853 117 P CB -0.271 31.444 31.700 0.024 0.000 0.788 118 A N 0.008 122.844 122.820 0.027 0.000 1.877 118 A HA -0.198 4.122 4.320 0.000 0.000 0.216 118 A C 2.415 180.020 177.584 0.035 0.000 1.186 118 A CA 2.436 54.489 52.037 0.026 0.000 0.620 118 A CB -1.677 17.334 19.000 0.018 0.000 0.822 118 A HN 0.332 nan 8.150 nan 0.000 0.443 119 S N -0.100 115.620 115.700 0.033 0.000 2.368 119 S HA -0.187 4.283 4.470 0.000 0.000 0.225 119 S C 2.029 176.682 174.600 0.089 0.000 1.030 119 S CA 1.241 59.465 58.200 0.039 0.000 0.999 119 S CB -0.497 62.708 63.200 0.008 0.000 0.844 119 S HN 0.596 nan 8.310 nan 0.000 0.459 120 R N 1.380 121.936 120.500 0.093 0.000 2.096 120 R HA 0.087 4.427 4.340 0.000 0.000 0.235 120 R C 2.790 179.169 176.300 0.131 0.000 1.127 120 R CA 1.239 57.429 56.100 0.150 0.000 0.968 120 R CB -0.791 29.576 30.300 0.113 0.000 0.861 120 R HN 0.590 nan 8.270 nan 0.000 0.440 121 A N 1.605 124.469 122.820 0.073 0.000 1.877 121 A HA -0.220 4.101 4.320 0.000 0.000 0.216 121 A C 2.086 179.693 177.584 0.038 0.000 1.186 121 A CA 1.560 53.621 52.037 0.041 0.000 0.620 121 A CB -0.394 18.622 19.000 0.026 0.000 0.822 121 A HN 0.235 nan 8.150 nan 0.000 0.443 122 K N -1.558 118.876 120.400 0.057 0.000 2.057 122 K HA -0.183 4.138 4.320 0.000 0.000 0.207 122 K C 1.842 178.491 176.600 0.081 0.000 1.049 122 K CA 1.764 58.084 56.287 0.054 0.000 0.931 122 K CB -0.363 32.169 32.500 0.054 0.000 0.714 122 K HN 0.378 nan 8.250 nan 0.000 0.440 123 F N 1.434 121.368 119.950 -0.026 0.000 2.075 123 F HA -0.112 4.415 4.527 0.000 0.000 0.297 123 F C 2.042 177.833 175.800 -0.014 0.000 1.113 123 F CA 1.533 59.511 58.000 -0.036 0.000 1.218 123 F CB -0.893 38.076 39.000 -0.051 0.000 0.984 123 F HN 0.101 nan 8.300 nan 0.000 0.472 124 A N 0.006 122.674 122.820 -0.253 0.000 1.908 124 A HA -0.256 4.064 4.320 0.000 0.000 0.218 124 A C 2.156 179.596 177.584 -0.241 0.000 1.181 124 A CA 1.920 53.747 52.037 -0.350 0.000 0.627 124 A CB -0.986 17.935 19.000 -0.132 0.000 0.818 124 A HN 0.628 nan 8.150 nan 0.000 0.445 125 Q N 0.007 119.731 119.800 -0.127 0.000 2.124 125 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 125 Q C 2.468 178.416 176.000 -0.086 0.000 0.977 125 Q CA 2.011 57.765 55.803 -0.081 0.000 0.850 125 Q CB -0.257 28.458 28.738 -0.038 0.000 0.901 125 Q HN 0.887 nan 8.270 nan 0.000 0.429 126 S N -0.639 115.000 115.700 -0.102 0.000 2.402 126 S HA -0.154 4.316 4.470 0.000 0.000 0.229 126 S C 2.122 176.676 174.600 -0.076 0.000 1.021 126 S CA 1.048 59.210 58.200 -0.062 0.000 0.974 126 S CB -0.651 62.541 63.200 -0.014 0.000 0.800 126 S HN 0.428 nan 8.310 nan 0.000 0.484 127 C N 1.252 120.432 119.300 -0.199 0.000 2.432 127 C HA 0.052 4.512 4.460 0.000 0.000 0.277 127 C C 2.795 177.819 174.990 0.057 0.000 1.249 127 C CA 0.694 59.671 59.018 -0.068 0.000 1.725 127 C CB -1.351 26.217 27.740 -0.288 0.000 2.028 127 C HN 0.547 nan 8.230 nan 0.000 0.477 128 V N 0.778 120.665 119.914 -0.044 0.000 2.515 128 V HA -0.177 3.944 4.120 0.000 0.000 0.250 128 V C 2.574 178.653 176.094 -0.026 0.000 1.058 128 V CA 1.908 64.181 62.300 -0.044 0.000 1.064 128 V CB -0.785 30.986 31.823 -0.087 0.000 0.675 128 V HN 0.503 nan 8.190 nan 0.000 0.461 129 R N -0.036 120.455 120.500 -0.015 0.000 2.075 129 R HA -0.106 4.234 4.340 0.000 0.000 0.232 129 R C 2.279 178.607 176.300 0.047 0.000 1.126 129 R CA 1.508 57.609 56.100 0.002 0.000 0.963 129 R CB -0.129 30.175 30.300 0.007 0.000 0.858 129 R HN 0.325 nan 8.270 nan 0.000 0.435 130 I N 0.930 121.543 120.570 0.071 0.000 2.226 130 I HA -0.297 3.873 4.170 0.000 0.000 0.245 130 I C 2.489 178.679 176.117 0.122 0.000 1.100 130 I CA 1.314 62.690 61.300 0.127 0.000 1.374 130 I CB -0.878 37.057 38.000 -0.109 0.000 1.057 130 I HN 0.421 nan 8.210 nan 0.000 0.413 131 M N 0.546 120.194 119.600 0.080 0.000 2.065 131 M HA -0.260 4.221 4.480 0.000 0.000 0.259 131 M C 2.213 178.590 176.300 0.129 0.000 1.069 131 M CA 1.906 57.346 55.300 0.233 0.000 1.110 131 M CB -0.132 32.624 32.600 0.260 0.000 1.328 131 M HN 0.012 nan 8.290 nan 0.000 0.405 132 K N 0.079 120.484 120.400 0.009 0.000 2.103 132 K HA -0.137 4.183 4.320 0.000 0.000 0.204 132 K C 1.676 178.236 176.600 -0.066 0.000 1.052 132 K CA 1.416 57.678 56.287 -0.041 0.000 0.945 132 K CB -0.832 31.625 32.500 -0.072 0.000 0.722 132 K HN 0.436 nan 8.250 nan 0.000 0.443 133 D N -0.041 120.315 120.400 -0.073 0.000 2.117 133 D HA -0.160 4.480 4.640 0.000 0.000 0.197 133 D C 1.459 177.478 176.300 -0.468 0.000 0.987 133 D CA 1.296 55.144 54.000 -0.253 0.000 0.829 133 D CB 0.049 40.689 40.800 -0.266 0.000 0.961 133 D HN 0.213 nan 8.370 nan 0.000 0.460 134 Y N -1.153 119.062 120.300 -0.142 0.000 2.510 134 Y HA 0.305 4.856 4.550 0.000 0.000 0.273 134 Y C 1.815 177.429 175.900 -0.477 0.000 1.119 134 Y CA 0.542 58.453 58.100 -0.314 0.000 1.286 134 Y CB 0.757 39.014 38.460 -0.337 0.000 1.061 134 Y HN 0.098 nan 8.280 nan 0.000 0.542 135 G N -0.545 108.123 108.800 -0.221 0.000 2.131 135 G HA2 -0.250 3.711 3.960 0.000 0.000 0.201 135 G HA3 -0.250 3.711 3.960 0.000 0.000 0.201 135 G C -0.161 174.677 174.900 -0.103 0.000 1.000 135 G CA -0.582 44.417 45.100 -0.168 0.000 0.680 135 G HN 0.110 nan 8.290 nan 0.000 0.514 136 F N 0.550 120.562 119.950 0.103 0.000 2.403 136 F HA 0.468 4.996 4.527 0.000 0.000 0.320 136 F C 1.331 177.268 175.800 0.228 0.000 1.176 136 F CA -0.309 57.798 58.000 0.178 0.000 1.206 136 F CB 0.623 39.804 39.000 0.301 0.000 1.235 136 F HN -0.033 nan 8.300 nan 0.000 0.565 137 D N 0.078 120.771 120.400 0.488 0.000 2.398 137 D HA 0.305 4.945 4.640 0.000 0.000 0.210 137 D C 0.576 177.134 176.300 0.431 0.000 1.094 137 D CA 0.416 54.675 54.000 0.432 0.000 0.839 137 D CB 0.792 41.746 40.800 0.256 0.000 0.963 137 D HN 0.627 nan 8.370 nan 0.000 0.506 138 G N -0.397 108.617 108.800 0.357 0.000 2.328 138 G HA2 0.339 4.300 3.960 0.000 0.000 0.295 138 G HA3 0.339 4.300 3.960 0.000 0.000 0.295 138 G C -1.836 173.064 174.900 -0.000 0.000 1.413 138 G CA -0.595 44.630 45.100 0.208 0.000 0.817 138 G HN -0.072 nan 8.290 nan 0.000 0.546 139 V N 0.634 120.451 119.914 -0.162 0.000 2.495 139 V HA 0.631 4.751 4.120 0.000 0.000 0.298 139 V C -0.886 175.008 176.094 -0.334 0.000 1.031 139 V CA -0.429 61.560 62.300 -0.518 0.000 0.871 139 V CB 1.717 33.318 31.823 -0.370 0.000 0.988 139 V HN 0.887 nan 8.190 nan 0.000 0.432 140 D N 4.142 124.300 120.400 -0.405 0.000 2.505 140 D HA 0.539 5.179 4.640 0.000 0.000 0.249 140 D C -0.971 175.304 176.300 -0.041 0.000 1.082 140 D CA -0.404 53.515 54.000 -0.136 0.000 0.839 140 D CB 1.266 42.015 40.800 -0.085 0.000 1.317 140 D HN 0.287 nan 8.370 nan 0.000 0.497 141 I N 3.115 123.742 120.570 0.095 0.000 2.378 141 I HA 0.275 4.446 4.170 0.000 0.000 0.291 141 I C -0.698 175.588 176.117 0.281 0.000 0.992 141 I CA -0.676 60.763 61.300 0.232 0.000 1.154 141 I CB 1.676 39.874 38.000 0.331 0.000 1.315 141 I HN 0.410 nan 8.210 nan 0.000 0.448 142 D N 6.022 126.587 120.400 0.275 0.000 2.683 142 D HA 0.084 4.724 4.640 0.000 0.000 0.309 142 D C -0.470 175.851 176.300 0.035 0.000 1.238 142 D CA -0.144 53.961 54.000 0.176 0.000 0.936 142 D CB 0.394 41.324 40.800 0.216 0.000 1.001 142 D HN 0.369 nan 8.370 nan 0.000 0.505 143 W N 2.071 123.264 121.300 -0.179 0.000 2.358 143 W HA 0.279 4.939 4.660 0.000 0.000 0.307 143 W C -0.360 175.771 176.519 -0.646 0.000 1.203 143 W CA -0.910 56.169 57.345 -0.443 0.000 1.279 143 W CB 0.380 29.649 29.460 -0.317 0.000 1.264 143 W HN 0.073 nan 8.180 nan 0.000 0.474 144 E N 6.579 126.493 120.200 -0.477 0.000 2.400 144 E HA 0.223 4.573 4.350 0.000 0.000 0.232 144 E C -1.499 174.651 176.600 -0.751 0.000 0.988 144 E CA -0.262 55.317 56.400 -1.367 0.000 0.823 144 E CB 0.662 29.715 29.700 -1.078 0.000 1.246 144 E HN 0.290 nan 8.360 nan 0.000 0.441 145 Y N 0.546 120.765 120.300 -0.135 0.000 2.581 145 Y HA 0.287 4.837 4.550 0.000 0.000 0.337 145 Y C -2.387 173.082 175.900 -0.718 0.000 1.108 145 Y CA -2.581 55.275 58.100 -0.406 0.000 1.033 145 Y CB 1.636 40.044 38.460 -0.086 0.000 1.318 145 Y HN 0.247 nan 8.280 nan 0.000 0.459 146 P HA 0.122 nan 4.420 nan 0.000 0.272 146 P C -1.373 175.689 177.300 -0.396 0.000 1.223 146 P CA -0.077 62.237 63.100 -1.311 0.000 0.784 146 P CB 1.380 31.892 31.700 -1.980 0.000 0.923 147 Q N 1.193 120.887 119.800 -0.176 0.000 2.693 147 Q HA 0.649 4.989 4.340 0.000 0.000 0.306 147 Q C -0.110 175.884 176.000 -0.009 0.000 0.969 147 Q CA -0.882 54.902 55.803 -0.031 0.000 0.757 147 Q CB 1.023 29.782 28.738 0.035 0.000 1.494 147 Q HN 0.428 nan 8.270 nan 0.000 0.459 148 A N 0.744 123.569 122.820 0.007 0.000 5.395 148 A HA -0.350 3.970 4.320 0.000 0.000 0.324 148 A C 1.496 179.091 177.584 0.020 0.000 1.813 148 A CA 2.525 54.571 52.037 0.014 0.000 0.714 148 A CB -2.220 16.795 19.000 0.025 0.000 1.374 148 A HN 1.819 nan 8.150 nan 0.000 0.390 149 A N -0.939 121.900 122.820 0.031 0.000 2.216 149 A HA 0.131 4.451 4.320 0.000 0.000 0.214 149 A C 1.569 179.184 177.584 0.051 0.000 1.160 149 A CA 1.957 54.017 52.037 0.039 0.000 0.725 149 A CB -0.733 18.292 19.000 0.041 0.000 0.784 149 A HN 0.729 nan 8.150 nan 0.000 0.472 150 E N -0.659 119.569 120.200 0.046 0.000 2.318 150 E HA -0.004 4.347 4.350 0.000 0.000 0.193 150 E C 1.631 178.251 176.600 0.033 0.000 0.998 150 E CA 0.567 57.007 56.400 0.066 0.000 0.859 150 E CB -0.014 29.727 29.700 0.069 0.000 0.812 150 E HN 0.398 nan 8.360 nan 0.000 0.492 151 V N 1.993 121.908 119.914 0.002 0.000 2.343 151 V HA -0.248 3.872 4.120 0.000 0.000 0.247 151 V C 1.555 177.725 176.094 0.127 0.000 1.051 151 V CA 1.914 64.242 62.300 0.046 0.000 1.036 151 V CB -0.377 31.477 31.823 0.051 0.000 0.654 151 V HN 0.205 nan 8.190 nan 0.000 0.451 152 D N 0.786 121.239 120.400 0.090 0.000 2.144 152 D HA -0.098 4.542 4.640 0.000 0.000 0.199 152 D C 2.228 178.589 176.300 0.101 0.000 0.984 152 D CA 1.597 55.647 54.000 0.082 0.000 0.834 152 D CB -0.601 40.234 40.800 0.058 0.000 0.955 152 D HN 0.461 nan 8.370 nan 0.000 0.465 153 G N 0.127 109.002 108.800 0.125 0.000 2.418 153 G HA2 -0.277 3.683 3.960 0.000 0.000 0.217 153 G HA3 -0.277 3.683 3.960 0.000 0.000 0.217 153 G C 1.488 176.515 174.900 0.211 0.000 1.158 153 G CA 0.363 45.550 45.100 0.145 0.000 0.771 153 G HN 0.231 nan 8.290 nan 0.000 0.545 154 F N 1.590 121.582 119.950 0.070 0.000 2.069 154 F HA -0.066 4.461 4.527 0.000 0.000 0.298 154 F C 2.480 178.312 175.800 0.053 0.000 1.113 154 F CA 1.239 59.286 58.000 0.079 0.000 1.214 154 F CB -0.370 38.580 39.000 -0.084 0.000 0.978 154 F HN 0.114 nan 8.300 nan 0.000 0.474 155 I N 0.343 120.923 120.570 0.017 0.000 2.127 155 I HA -0.360 3.811 4.170 0.000 0.000 0.241 155 I C 2.689 178.760 176.117 -0.077 0.000 1.075 155 I CA 1.506 62.744 61.300 -0.104 0.000 1.334 155 I CB -1.001 36.996 38.000 -0.005 0.000 1.040 155 I HN 0.253 nan 8.210 nan 0.000 0.405 156 A N 0.480 123.300 122.820 0.000 0.000 1.972 156 A HA -0.138 4.182 4.320 0.000 0.000 0.219 156 A C 2.498 180.092 177.584 0.016 0.000 1.169 156 A CA 1.777 53.821 52.037 0.012 0.000 0.635 156 A CB -0.747 18.276 19.000 0.038 0.000 0.810 156 A HN 0.461 nan 8.150 nan 0.000 0.446 157 A N -0.216 122.629 122.820 0.041 0.000 1.898 157 A HA 0.015 4.335 4.320 0.000 0.000 0.216 157 A C 2.140 179.734 177.584 0.017 0.000 1.181 157 A CA 1.361 53.457 52.037 0.099 0.000 0.620 157 A CB -0.536 18.602 19.000 0.230 0.000 0.819 157 A HN 0.464 nan 8.150 nan 0.000 0.442 158 L N -0.840 120.315 121.223 -0.113 0.000 2.046 158 L HA -0.260 4.080 4.340 0.000 0.000 0.208 158 L C 2.888 179.702 176.870 -0.093 0.000 1.077 158 L CA 1.622 56.366 54.840 -0.159 0.000 0.747 158 L CB -0.644 41.222 42.059 -0.321 0.000 0.896 158 L HN 0.479 nan 8.230 nan 0.000 0.432 159 Q N -0.444 119.311 119.800 -0.075 0.000 2.124 159 Q HA -0.262 4.078 4.340 0.000 0.000 0.202 159 Q C 2.118 178.100 176.000 -0.029 0.000 0.977 159 Q CA 1.618 57.393 55.803 -0.045 0.000 0.850 159 Q CB -0.080 28.640 28.738 -0.031 0.000 0.901 159 Q HN 0.310 nan 8.270 nan 0.000 0.429 160 E N 1.082 121.272 120.200 -0.018 0.000 2.072 160 E HA -0.131 4.219 4.350 0.000 0.000 0.191 160 E C 1.672 178.253 176.600 -0.031 0.000 0.985 160 E CA 1.059 57.452 56.400 -0.012 0.000 0.801 160 E CB -0.171 29.534 29.700 0.009 0.000 0.750 160 E HN 0.337 nan 8.360 nan 0.000 0.452 161 I N 0.328 120.870 120.570 -0.048 0.000 2.226 161 I HA -0.278 3.892 4.170 0.000 0.000 0.245 161 I C 2.494 178.582 176.117 -0.049 0.000 1.100 161 I CA 1.225 62.480 61.300 -0.076 0.000 1.374 161 I CB -0.290 37.648 38.000 -0.104 0.000 1.057 161 I HN 0.086 nan 8.210 nan 0.000 0.413 162 R N 1.179 121.655 120.500 -0.040 0.000 2.083 162 R HA -0.152 4.189 4.340 0.000 0.000 0.237 162 R C 2.136 178.431 176.300 -0.009 0.000 1.137 162 R CA 2.436 58.522 56.100 -0.024 0.000 0.951 162 R CB -1.284 28.997 30.300 -0.031 0.000 0.851 162 R HN 0.208 nan 8.270 nan 0.000 0.434 163 T N 1.571 116.117 114.554 -0.013 0.000 2.684 163 T HA -0.107 4.244 4.350 0.000 0.000 0.267 163 T C 1.756 176.455 174.700 -0.001 0.000 1.036 163 T CA 1.771 63.868 62.100 -0.005 0.000 1.148 163 T CB -0.249 68.615 68.868 -0.006 0.000 0.863 163 T HN 0.171 nan 8.240 nan 0.000 0.436 164 L N 0.270 121.486 121.223 -0.013 0.000 2.083 164 L HA -0.026 4.314 4.340 0.000 0.000 0.209 164 L C 2.486 179.354 176.870 -0.002 0.000 1.083 164 L CA 1.037 55.867 54.840 -0.016 0.000 0.752 164 L CB -0.623 41.411 42.059 -0.040 0.000 0.899 164 L HN 0.263 nan 8.230 nan 0.000 0.433 165 L N -0.443 120.784 121.223 0.008 0.000 2.109 165 L HA -0.163 4.178 4.340 0.000 0.000 0.207 165 L C 2.286 179.231 176.870 0.126 0.000 1.086 165 L CA 0.890 55.765 54.840 0.058 0.000 0.760 165 L CB -0.542 41.561 42.059 0.073 0.000 0.910 165 L HN 0.310 nan 8.230 nan 0.000 0.437 166 N N -0.208 118.536 118.700 0.074 0.000 2.166 166 N HA -0.220 4.520 4.740 0.000 0.000 0.186 166 N C 1.833 177.386 175.510 0.070 0.000 1.019 166 N CA 0.965 54.056 53.050 0.068 0.000 0.856 166 N CB -0.208 38.298 38.487 0.033 0.000 0.993 166 N HN 0.233 nan 8.380 nan 0.000 0.426 167 Q N 0.799 120.631 119.800 0.054 0.000 2.119 167 Q HA -0.085 4.255 4.340 0.000 0.000 0.201 167 Q C 1.886 177.931 176.000 0.076 0.000 0.972 167 Q CA 1.424 57.256 55.803 0.048 0.000 0.847 167 Q CB -0.340 28.414 28.738 0.026 0.000 0.903 167 Q HN 0.220 nan 8.270 nan 0.000 0.433 168 Q N -0.729 119.132 119.800 0.101 0.000 2.124 168 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 168 Q C 1.848 178.037 176.000 0.315 0.000 0.977 168 Q CA 2.148 58.041 55.803 0.149 0.000 0.850 168 Q CB -0.564 28.190 28.738 0.026 0.000 0.901 168 Q HN 0.462 nan 8.270 nan 0.000 0.429 169 T N 0.344 115.096 114.554 0.330 0.000 2.684 169 T HA -0.125 4.225 4.350 0.000 0.000 0.267 169 T C 1.682 176.423 174.700 0.069 0.000 1.036 169 T CA 1.547 63.739 62.100 0.153 0.000 1.148 169 T CB -0.244 68.655 68.868 0.051 0.000 0.863 169 T HN 0.265 nan 8.240 nan 0.000 0.436 170 I N 0.863 121.472 120.570 0.066 0.000 2.202 170 I HA -0.162 4.008 4.170 0.000 0.000 0.242 170 I C 2.737 178.879 176.117 0.042 0.000 1.091 170 I CA 1.103 62.425 61.300 0.036 0.000 1.368 170 I CB -0.651 37.367 38.000 0.028 0.000 1.058 170 I HN 0.219 nan 8.210 nan 0.000 0.410 171 T N 0.086 114.677 114.554 0.061 0.000 2.720 171 T HA -0.189 4.162 4.350 0.000 0.000 0.268 171 T C 1.268 176.004 174.700 0.059 0.000 1.037 171 T CA 1.620 63.752 62.100 0.053 0.000 1.144 171 T CB -0.271 68.630 68.868 0.054 0.000 0.864 171 T HN 0.279 nan 8.240 nan 0.000 0.444 172 D N 0.088 120.546 120.400 0.097 0.000 2.340 172 D HA 0.231 4.872 4.640 0.000 0.000 0.220 172 D C 1.444 177.764 176.300 0.034 0.000 1.039 172 D CA 0.453 54.508 54.000 0.092 0.000 0.866 172 D CB -0.373 40.549 40.800 0.203 0.000 0.913 172 D HN 0.455 nan 8.370 nan 0.000 0.523 173 G N 1.632 110.441 108.800 0.015 0.000 2.249 173 G HA2 -0.335 3.625 3.960 0.000 0.000 0.273 173 G HA3 -0.335 3.625 3.960 0.000 0.000 0.273 173 G C 0.856 175.729 174.900 -0.045 0.000 1.036 173 G CA -0.168 44.925 45.100 -0.012 0.000 0.824 173 G HN 0.204 nan 8.290 nan 0.000 0.504 174 R N -0.631 119.818 120.500 -0.085 0.000 2.555 174 R HA 0.153 4.493 4.340 0.000 0.000 0.272 174 R C 1.997 178.203 176.300 -0.157 0.000 1.089 174 R CA 0.210 56.204 56.100 -0.177 0.000 1.126 174 R CB 0.118 30.169 30.300 -0.416 0.000 1.250 174 R HN 0.580 nan 8.270 nan 0.000 0.551 175 Q N 0.118 119.864 119.800 -0.089 0.000 2.234 175 Q HA -0.085 4.255 4.340 0.000 0.000 0.206 175 Q C 1.868 177.828 176.000 -0.067 0.000 0.980 175 Q CA 1.909 57.671 55.803 -0.068 0.000 0.869 175 Q CB -0.118 28.596 28.738 -0.040 0.000 0.912 175 Q HN 0.312 nan 8.270 nan 0.000 0.436 176 A N -0.714 122.065 122.820 -0.069 0.000 2.167 176 A HA 0.105 4.425 4.320 0.000 0.000 0.214 176 A C 0.700 178.243 177.584 -0.068 0.000 1.151 176 A CA 0.495 52.498 52.037 -0.056 0.000 0.735 176 A CB 0.327 19.299 19.000 -0.046 0.000 0.802 176 A HN 0.276 nan 8.150 nan 0.000 0.467 177 L N -0.142 121.017 121.223 -0.107 0.000 2.400 177 L HA 0.357 4.697 4.340 0.000 0.000 0.261 177 L C -2.979 173.771 176.870 -0.199 0.000 1.554 177 L CA -1.605 53.165 54.840 -0.117 0.000 0.774 177 L CB 1.347 43.341 42.059 -0.107 0.000 0.964 177 L HN -0.147 nan 8.230 nan 0.000 0.524 178 P HA 0.039 nan 4.420 nan 0.000 0.266 178 P C -0.922 176.281 177.300 -0.161 0.000 1.193 178 P CA 0.329 63.312 63.100 -0.196 0.000 0.770 178 P CB 0.146 31.802 31.700 -0.072 0.000 0.836 179 Y N 0.881 121.202 120.300 0.036 0.000 2.597 179 Y HA 0.119 4.669 4.550 0.001 0.000 0.336 179 Y C 1.423 177.349 175.900 0.044 0.000 1.216 179 Y CA 0.798 58.929 58.100 0.052 0.000 1.463 179 Y CB 0.081 38.573 38.460 0.053 0.000 1.303 179 Y HN 0.343 nan 8.280 nan 0.000 0.576 180 Q N 1.498 121.430 119.800 0.220 0.000 2.378 180 Q HA 0.690 5.031 4.340 0.000 0.000 0.276 180 Q C -1.714 174.338 176.000 0.088 0.000 1.083 180 Q CA -1.392 54.493 55.803 0.136 0.000 0.856 180 Q CB 2.759 31.606 28.738 0.181 0.000 1.383 180 Q HN 0.538 nan 8.270 nan 0.000 0.458 181 L N 0.713 121.959 121.223 0.038 0.000 2.439 181 L HA 0.596 4.936 4.340 0.000 0.000 0.270 181 L C -1.136 175.736 176.870 0.004 0.000 0.972 181 L CA 0.087 54.924 54.840 -0.004 0.000 0.836 181 L CB 2.094 44.136 42.059 -0.028 0.000 1.255 181 L HN 0.812 nan 8.230 nan 0.000 0.404 182 T N 2.697 117.259 114.554 0.012 0.000 2.838 182 T HA 0.851 5.201 4.350 0.000 0.000 0.292 182 T C -0.355 174.383 174.700 0.064 0.000 1.113 182 T CA -0.596 61.536 62.100 0.052 0.000 1.008 182 T CB 1.634 70.550 68.868 0.080 0.000 1.259 182 T HN 0.845 nan 8.240 nan 0.000 0.520 183 I N -2.028 118.608 120.570 0.109 0.000 2.994 183 I HA 0.886 5.056 4.170 0.000 0.000 0.306 183 I C -0.780 175.450 176.117 0.188 0.000 1.195 183 I CA -1.894 59.504 61.300 0.163 0.000 1.001 183 I CB 1.880 40.003 38.000 0.205 0.000 1.244 183 I HN 0.936 nan 8.210 nan 0.000 0.437 184 A N 2.485 125.439 122.820 0.224 0.000 2.289 184 A HA 0.817 5.138 4.320 0.000 0.000 0.298 184 A C 0.114 177.847 177.584 0.249 0.000 1.208 184 A CA -0.081 52.096 52.037 0.234 0.000 0.845 184 A CB 0.467 19.614 19.000 0.245 0.000 1.125 184 A HN 1.106 nan 8.150 nan 0.000 0.517 185 G N 0.435 109.386 108.800 0.252 0.000 2.454 185 G HA2 0.648 4.608 3.960 0.000 0.000 0.329 185 G HA3 0.648 4.608 3.960 0.000 0.000 0.329 185 G C 0.131 175.209 174.900 0.296 0.000 1.177 185 G CA -0.077 45.225 45.100 0.338 0.000 0.951 185 G HN 1.376 nan 8.290 nan 0.000 0.485 186 A N -0.577 122.363 122.820 0.201 0.000 2.483 186 A HA 0.521 4.841 4.320 0.000 0.000 0.238 186 A C 1.338 178.937 177.584 0.025 0.000 1.070 186 A CA 0.561 52.526 52.037 -0.121 0.000 0.770 186 A CB 0.473 19.162 19.000 -0.519 0.000 1.008 186 A HN 1.491 nan 8.150 nan 0.000 0.497 187 G N 0.886 109.669 108.800 -0.028 0.000 3.277 187 G HA2 0.475 4.435 3.960 0.000 0.000 0.243 187 G HA3 0.475 4.435 3.960 0.000 0.000 0.243 187 G C 0.408 175.303 174.900 -0.008 0.000 1.107 187 G CA 0.609 45.693 45.100 -0.026 0.000 0.771 187 G HN 1.257 nan 8.290 nan 0.000 0.544 188 G N -1.545 107.251 108.800 -0.006 0.000 2.612 188 G HA2 0.537 4.497 3.960 0.000 0.000 0.298 188 G HA3 0.537 4.497 3.960 0.000 0.000 0.298 188 G C 0.716 175.562 174.900 -0.089 0.000 1.336 188 G CA 0.294 45.395 45.100 0.000 0.000 0.953 188 G HN 0.302 nan 8.290 nan 0.000 0.482 189 A N 0.710 123.417 122.820 -0.188 0.000 1.978 189 A HA 0.075 4.395 4.320 0.000 0.000 0.220 189 A C 1.893 179.205 177.584 -0.453 0.000 1.170 189 A CA 1.551 53.335 52.037 -0.421 0.000 0.636 189 A CB -0.529 18.142 19.000 -0.547 0.000 0.810 189 A HN 0.582 nan 8.150 nan 0.000 0.448 190 F N -1.318 118.521 119.950 -0.184 0.000 2.075 190 F HA -0.103 4.424 4.527 0.001 0.000 0.297 190 F C 2.050 177.630 175.800 -0.368 0.000 1.113 190 F CA 1.544 59.371 58.000 -0.289 0.000 1.218 190 F CB -0.913 37.876 39.000 -0.353 0.000 0.984 190 F HN 0.218 nan 8.300 nan 0.000 0.472 191 F N -0.708 119.207 119.950 -0.058 0.000 2.259 191 F HA -0.077 4.450 4.527 0.000 0.000 0.298 191 F C 2.190 177.705 175.800 -0.474 0.000 1.088 191 F CA 0.513 58.367 58.000 -0.242 0.000 1.358 191 F CB -0.951 37.822 39.000 -0.379 0.000 1.040 191 F HN -0.108 nan 8.300 nan 0.000 0.505 192 L N 0.426 121.438 121.223 -0.350 0.000 2.079 192 L HA -0.208 4.133 4.340 0.000 0.000 0.210 192 L C 2.571 179.043 176.870 -0.664 0.000 1.081 192 L CA 2.060 56.522 54.840 -0.631 0.000 0.752 192 L CB -1.215 40.574 42.059 -0.450 0.000 0.896 192 L HN 0.202 nan 8.230 nan 0.000 0.433 193 S N -1.011 114.407 115.700 -0.470 0.000 2.440 193 S HA -0.241 4.229 4.470 0.000 0.000 0.238 193 S C 2.050 176.486 174.600 -0.274 0.000 1.010 193 S CA 1.013 58.979 58.200 -0.391 0.000 0.972 193 S CB -0.669 62.322 63.200 -0.348 0.000 0.774 193 S HN 0.574 nan 8.310 nan 0.000 0.501 194 R N 0.325 120.675 120.500 -0.250 0.000 2.081 194 R HA -0.081 4.259 4.340 0.000 0.000 0.235 194 R C 1.717 177.993 176.300 -0.040 0.000 1.131 194 R CA 1.905 57.952 56.100 -0.089 0.000 0.960 194 R CB -0.366 29.974 30.300 0.065 0.000 0.856 194 R HN 0.907 nan 8.270 nan 0.000 0.436 195 Y N -4.947 115.316 120.300 -0.060 0.000 2.626 195 Y HA 0.233 4.784 4.550 0.000 0.000 0.248 195 Y C 1.340 177.225 175.900 -0.024 0.000 1.147 195 Y CA -1.249 56.821 58.100 -0.051 0.000 1.219 195 Y CB -0.688 37.730 38.460 -0.069 0.000 1.279 195 Y HN -0.114 nan 8.280 nan 0.000 0.541 196 Y N 2.808 122.857 120.300 -0.419 0.000 2.102 196 Y HA -0.341 4.209 4.550 0.000 0.000 0.280 196 Y C 2.712 178.519 175.900 -0.155 0.000 1.178 196 Y CA 2.582 60.480 58.100 -0.336 0.000 1.146 196 Y CB -0.534 37.671 38.460 -0.425 0.000 0.968 196 Y HN 0.365 nan 8.280 nan 0.000 0.504 197 S N -0.695 114.912 115.700 -0.155 0.000 2.440 197 S HA -0.196 4.274 4.470 0.000 0.000 0.238 197 S C 1.413 175.925 174.600 -0.147 0.000 1.010 197 S CA 1.561 59.639 58.200 -0.202 0.000 0.972 197 S CB -0.410 62.709 63.200 -0.136 0.000 0.774 197 S HN 0.567 nan 8.310 nan 0.000 0.501 198 K N 0.317 120.678 120.400 -0.065 0.000 2.593 198 K HA 0.431 4.751 4.320 0.000 0.000 0.208 198 K C 0.973 177.584 176.600 0.020 0.000 1.051 198 K CA -0.211 56.072 56.287 -0.007 0.000 1.111 198 K CB 0.119 32.645 32.500 0.044 0.000 0.849 198 K HN 0.262 nan 8.250 nan 0.000 0.479 199 L N 0.674 121.873 121.223 -0.041 0.000 2.043 199 L HA -0.267 4.073 4.340 0.000 0.000 0.212 199 L C 2.413 179.298 176.870 0.026 0.000 1.075 199 L CA 1.628 56.478 54.840 0.018 0.000 0.752 199 L CB -0.390 41.604 42.059 -0.108 0.000 0.891 199 L HN 0.345 nan 8.230 nan 0.000 0.432 200 A N -0.682 122.132 122.820 -0.010 0.000 1.908 200 A HA -0.269 4.051 4.320 0.000 0.000 0.218 200 A C 2.123 179.715 177.584 0.013 0.000 1.181 200 A CA 1.674 53.717 52.037 0.009 0.000 0.627 200 A CB -0.444 18.558 19.000 0.005 0.000 0.818 200 A HN 0.530 nan 8.150 nan 0.000 0.445 201 Q N -0.754 119.052 119.800 0.011 0.000 2.172 201 Q HA -0.006 4.334 4.340 0.000 0.000 0.200 201 Q C 1.949 177.945 176.000 -0.007 0.000 0.964 201 Q CA 1.189 56.995 55.803 0.005 0.000 0.855 201 Q CB -0.237 28.507 28.738 0.010 0.000 0.918 201 Q HN 0.743 nan 8.270 nan 0.000 0.444 202 I N -0.198 120.381 120.570 0.015 0.000 2.252 202 I HA -0.214 3.956 4.170 0.000 0.000 0.245 202 I C 1.942 178.048 176.117 -0.019 0.000 1.102 202 I CA 0.820 62.114 61.300 -0.009 0.000 1.385 202 I CB 0.017 38.062 38.000 0.075 0.000 1.064 202 I HN 0.020 nan 8.210 nan 0.000 0.414 203 V N 0.741 120.670 119.914 0.025 0.000 2.951 203 V HA -0.093 4.027 4.120 0.000 0.000 0.255 203 V C 2.607 178.698 176.094 -0.006 0.000 1.088 203 V CA 1.254 63.571 62.300 0.027 0.000 1.109 203 V CB -0.624 31.241 31.823 0.069 0.000 0.724 203 V HN 0.426 nan 8.190 nan 0.000 0.471 204 A N 1.591 124.404 122.820 -0.012 0.000 1.892 204 A HA -0.153 4.167 4.320 0.000 0.000 0.218 204 A C 0.689 178.250 177.584 -0.037 0.000 1.188 204 A CA 2.294 54.319 52.037 -0.022 0.000 0.631 204 A CB -1.762 17.228 19.000 -0.017 0.000 0.822 204 A HN 0.602 nan 8.150 nan 0.000 0.447 205 P HA 0.164 nan 4.420 nan 0.000 0.249 205 P C 0.055 177.318 177.300 -0.061 0.000 1.229 205 P CA 0.358 63.425 63.100 -0.056 0.000 0.788 205 P CB -0.059 31.599 31.700 -0.071 0.000 1.072 206 L N -0.040 121.146 121.223 -0.061 0.000 2.379 206 L HA 0.297 4.637 4.340 0.000 0.000 0.269 206 L C 1.447 178.246 176.870 -0.118 0.000 1.084 206 L CA -0.593 54.209 54.840 -0.064 0.000 0.802 206 L CB 0.776 42.816 42.059 -0.031 0.000 1.175 206 L HN -0.262 nan 8.230 nan 0.000 0.448 207 D N 0.119 120.419 120.400 -0.166 0.000 2.183 207 D HA 0.006 4.646 4.640 0.000 0.000 0.205 207 D C -0.562 175.325 176.300 -0.688 0.000 0.962 207 D CA 1.634 55.387 54.000 -0.412 0.000 0.849 207 D CB 0.442 41.024 40.800 -0.363 0.000 0.978 207 D HN 0.294 nan 8.370 nan 0.000 0.488 208 Y N -0.780 119.511 120.300 -0.016 0.000 2.581 208 Y HA 0.411 4.962 4.550 0.000 0.000 0.337 208 Y C -0.702 175.200 175.900 0.004 0.000 1.108 208 Y CA -0.959 57.130 58.100 -0.019 0.000 1.033 208 Y CB 2.013 40.433 38.460 -0.067 0.000 1.318 208 Y HN -0.290 nan 8.280 nan 0.000 0.459 209 I N 3.028 123.716 120.570 0.197 0.000 2.382 209 I HA 0.476 4.646 4.170 0.000 0.000 0.286 209 I C -1.334 174.860 176.117 0.129 0.000 1.002 209 I CA -0.626 60.765 61.300 0.153 0.000 1.135 209 I CB 0.598 38.692 38.000 0.156 0.000 1.288 209 I HN 0.580 nan 8.210 nan 0.000 0.448 210 N N 8.806 127.584 118.700 0.131 0.000 2.462 210 N HA 0.347 5.088 4.740 0.000 0.000 0.242 210 N C -0.771 174.808 175.510 0.115 0.000 1.010 210 N CA -0.244 52.874 53.050 0.113 0.000 0.939 210 N CB 1.429 39.999 38.487 0.138 0.000 1.127 210 N HN 0.567 nan 8.380 nan 0.000 0.509 211 L N 1.516 122.771 121.223 0.055 0.000 2.367 211 L HA 0.277 4.617 4.340 0.000 0.000 0.275 211 L C 1.262 178.123 176.870 -0.014 0.000 1.129 211 L CA -0.064 54.782 54.840 0.010 0.000 0.839 211 L CB 0.659 42.667 42.059 -0.084 0.000 1.133 211 L HN 0.365 nan 8.230 nan 0.000 0.453 212 M N 3.897 123.435 119.600 -0.105 0.000 3.596 212 M HA 0.045 4.525 4.480 0.000 0.000 0.219 212 M C 0.328 176.274 176.300 -0.590 0.000 1.471 212 M CA -0.184 54.830 55.300 -0.477 0.000 1.644 212 M CB -0.286 32.091 32.600 -0.371 0.000 1.083 212 M HN 0.638 nan 8.290 nan 0.000 0.579 213 T N 1.062 115.429 114.554 -0.312 0.000 4.099 213 T HA 0.237 4.587 4.350 0.000 0.000 0.223 213 T C -0.619 174.105 174.700 0.040 0.000 0.968 213 T CA -0.282 61.755 62.100 -0.106 0.000 0.966 213 T CB -1.142 67.731 68.868 0.008 0.000 1.328 213 T HN 0.590 nan 8.240 nan 0.000 0.783 214 Y N -3.117 117.245 120.300 0.103 0.000 2.788 214 Y HA 0.552 5.102 4.550 0.000 0.000 0.335 214 Y C -0.349 175.650 175.900 0.164 0.000 1.287 214 Y CA -1.793 56.378 58.100 0.119 0.000 1.068 214 Y CB 0.031 38.557 38.460 0.109 0.000 1.340 214 Y HN 0.090 nan 8.280 nan 0.000 0.449 215 D N 0.032 120.711 120.400 0.465 0.000 2.945 215 D HA -0.160 4.481 4.640 0.000 0.000 0.225 215 D C 0.343 176.883 176.300 0.400 0.000 1.158 215 D CA 1.259 55.536 54.000 0.462 0.000 0.805 215 D CB -1.002 40.022 40.800 0.374 0.000 1.098 215 D HN 0.721 nan 8.370 nan 0.000 0.426 216 L N -1.475 119.907 121.223 0.265 0.000 2.599 216 L HA 0.336 4.676 4.340 0.000 0.000 0.230 216 L C 1.105 178.071 176.870 0.159 0.000 1.141 216 L CA 0.634 55.575 54.840 0.168 0.000 0.877 216 L CB -0.014 42.083 42.059 0.063 0.000 1.009 216 L HN 0.190 nan 8.230 nan 0.000 0.447 217 A N -0.637 122.310 122.820 0.212 0.000 2.572 217 A HA 0.860 5.181 4.320 0.000 0.000 0.295 217 A C -0.370 177.129 177.584 -0.141 0.000 1.072 217 A CA 0.038 52.137 52.037 0.103 0.000 0.691 217 A CB 1.738 20.842 19.000 0.172 0.000 1.291 217 A HN 0.094 nan 8.150 nan 0.000 0.404 218 G N -0.314 108.127 108.800 -0.598 0.000 2.441 218 G HA2 0.574 4.535 3.960 0.000 0.000 0.294 218 G HA3 0.574 4.535 3.960 0.000 0.000 0.294 218 G C -2.671 171.569 174.900 -1.100 0.000 1.393 218 G CA 0.077 44.352 45.100 -1.375 0.000 0.796 218 G HN 0.434 nan 8.290 nan 0.000 0.494 219 P HA -0.062 nan 4.420 nan 0.000 0.220 219 P C 1.458 178.751 177.300 -0.012 0.000 1.148 219 P CA 1.661 64.588 63.100 -0.288 0.000 0.803 219 P CB -0.089 31.552 31.700 -0.098 0.000 0.782 220 W N 0.294 121.676 121.300 0.137 0.000 2.721 220 W HA 0.146 4.806 4.660 0.000 0.000 0.245 220 W C 0.191 176.800 176.519 0.151 0.000 1.276 220 W CA -0.068 57.346 57.345 0.116 0.000 1.342 220 W CB -1.038 28.452 29.460 0.050 0.000 1.135 220 W HN -0.189 nan 8.180 nan 0.000 0.654 221 E N 0.618 120.780 120.200 -0.065 0.000 2.202 221 E HA 0.271 4.621 4.350 0.000 0.000 0.272 221 E C 1.206 177.951 176.600 0.243 0.000 0.951 221 E CA 0.150 56.621 56.400 0.119 0.000 0.813 221 E CB 1.584 31.339 29.700 0.091 0.000 1.151 221 E HN 0.094 nan 8.360 nan 0.000 0.398 222 K N 1.257 121.751 120.400 0.157 0.000 2.217 222 K HA 0.068 4.388 4.320 0.000 0.000 0.202 222 K C 0.918 177.583 176.600 0.108 0.000 1.051 222 K CA 0.896 57.236 56.287 0.089 0.000 0.952 222 K CB -0.065 32.435 32.500 0.001 0.000 0.736 222 K HN 0.243 nan 8.250 nan 0.000 0.453 223 V N 2.059 122.022 119.914 0.082 0.000 2.628 223 V HA 0.355 4.476 4.120 0.000 0.000 0.306 223 V C 0.408 176.432 176.094 -0.118 0.000 1.045 223 V CA -0.663 61.634 62.300 -0.005 0.000 0.905 223 V CB 1.503 33.287 31.823 -0.065 0.000 0.997 223 V HN 0.517 nan 8.190 nan 0.000 0.436 224 T N 1.431 115.762 114.554 -0.372 0.000 2.918 224 T HA 0.507 4.858 4.350 0.000 0.000 0.302 224 T C -0.253 174.073 174.700 -0.623 0.000 1.045 224 T CA -0.253 61.284 62.100 -0.938 0.000 1.114 224 T CB 1.107 69.133 68.868 -1.404 0.000 0.965 224 T HN 0.763 nan 8.240 nan 0.000 0.540 225 N N -0.821 117.570 118.700 -0.516 0.000 3.046 225 N HA 0.184 4.925 4.740 0.000 0.000 0.243 225 N C -1.728 173.726 175.510 -0.093 0.000 1.452 225 N CA -0.726 52.212 53.050 -0.186 0.000 0.882 225 N CB 1.038 39.564 38.487 0.066 0.000 1.425 225 N HN 0.702 nan 8.380 nan 0.000 0.517 226 H N 1.201 120.374 119.070 0.172 0.000 2.764 226 H HA 0.083 4.640 4.556 0.001 0.000 0.341 226 H C 0.387 175.799 175.328 0.139 0.000 1.072 226 H CA 0.364 56.502 56.048 0.151 0.000 1.444 226 H CB 1.187 30.983 29.762 0.055 0.000 1.458 226 H HN 0.576 nan 8.280 nan 0.000 0.572 227 Q N 1.803 121.743 119.800 0.235 0.000 2.432 227 Q HA 0.215 4.555 4.340 0.000 0.000 0.205 227 Q C 0.393 176.508 176.000 0.192 0.000 0.945 227 Q CA 0.785 56.718 55.803 0.217 0.000 0.924 227 Q CB 0.756 29.639 28.738 0.241 0.000 1.016 227 Q HN 0.496 nan 8.270 nan 0.000 0.503 228 A N 0.491 123.406 122.820 0.159 0.000 3.106 228 A HA 0.671 4.992 4.320 0.000 0.000 0.227 228 A C -0.109 177.493 177.584 0.030 0.000 0.920 228 A CA -0.266 51.840 52.037 0.114 0.000 1.088 228 A CB 0.146 19.242 19.000 0.160 0.000 1.233 228 A HN 0.358 nan 8.150 nan 0.000 0.503 229 A N 0.077 122.912 122.820 0.026 0.000 2.546 229 A HA 0.400 4.720 4.320 0.000 0.000 0.243 229 A C 1.190 178.676 177.584 -0.162 0.000 1.063 229 A CA 0.232 52.220 52.037 -0.082 0.000 0.757 229 A CB 0.078 19.065 19.000 -0.023 0.000 0.991 229 A HN 1.372 nan 8.150 nan 0.000 0.503 230 L N 2.993 124.044 121.223 -0.286 0.000 2.023 230 L HA 0.239 4.579 4.340 0.000 0.000 0.205 230 L C 0.156 176.622 176.870 -0.674 0.000 1.073 230 L CA 1.766 56.277 54.840 -0.548 0.000 0.745 230 L CB -0.502 41.146 42.059 -0.684 0.000 0.900 230 L HN 0.605 nan 8.230 nan 0.000 0.435 231 F N -1.220 118.672 119.950 -0.097 0.000 2.639 231 F HA 0.662 5.189 4.527 0.000 0.000 0.339 231 F C 0.917 176.692 175.800 -0.041 0.000 1.071 231 F CA -0.869 57.106 58.000 -0.040 0.000 0.994 231 F CB 0.432 39.420 39.000 -0.020 0.000 1.341 231 F HN -0.116 nan 8.300 nan 0.000 0.498 232 G N -0.358 108.572 108.800 0.217 0.000 2.425 232 G HA2 0.416 4.377 3.960 0.000 0.000 0.302 232 G HA3 0.416 4.377 3.960 0.000 0.000 0.302 232 G C -1.737 173.194 174.900 0.050 0.000 1.159 232 G CA -0.251 44.907 45.100 0.096 0.000 0.865 232 G HN 0.484 nan 8.290 nan 0.000 0.515 233 D N 0.750 121.153 120.400 0.004 0.000 2.381 233 D HA 0.443 5.083 4.640 0.000 0.000 0.235 233 D C 1.171 177.419 176.300 -0.085 0.000 1.068 233 D CA -0.222 53.768 54.000 -0.016 0.000 0.832 233 D CB 1.592 42.419 40.800 0.046 0.000 1.101 233 D HN 0.301 nan 8.370 nan 0.000 0.515 234 A N 3.541 126.326 122.820 -0.059 0.000 2.076 234 A HA -0.052 4.268 4.320 0.000 0.000 0.220 234 A C 1.906 179.408 177.584 -0.136 0.000 1.160 234 A CA 1.819 53.809 52.037 -0.079 0.000 0.653 234 A CB -0.316 18.657 19.000 -0.044 0.000 0.801 234 A HN 0.610 nan 8.150 nan 0.000 0.455 235 A N -0.553 122.179 122.820 -0.146 0.000 2.119 235 A HA 0.423 4.743 4.320 0.000 0.000 0.216 235 A C 1.470 178.713 177.584 -0.568 0.000 1.152 235 A CA 0.903 52.829 52.037 -0.186 0.000 0.708 235 A CB -0.725 18.285 19.000 0.017 0.000 0.805 235 A HN 0.687 nan 8.150 nan 0.000 0.460 236 G N 0.099 108.369 108.800 -0.883 0.000 2.547 236 G HA2 0.483 4.443 3.960 0.000 0.000 0.291 236 G HA3 0.483 4.443 3.960 0.000 0.000 0.291 236 G C -2.412 172.105 174.900 -0.638 0.000 1.211 236 G CA -1.287 42.953 45.100 -1.434 0.000 0.950 236 G HN 0.186 nan 8.290 nan 0.000 0.504 237 P HA 0.210 nan 4.420 nan 0.000 0.272 237 P C -0.100 177.020 177.300 -0.300 0.000 1.230 237 P CA 0.062 62.949 63.100 -0.356 0.000 0.788 237 P CB 1.010 32.507 31.700 -0.338 0.000 0.949 238 T N -1.387 112.942 114.554 -0.375 0.000 2.924 238 T HA 0.746 5.096 4.350 0.000 0.000 0.291 238 T C -0.655 173.778 174.700 -0.445 0.000 1.045 238 T CA -0.539 61.417 62.100 -0.240 0.000 1.015 238 T CB 0.937 69.735 68.868 -0.117 0.000 1.103 238 T HN 0.174 nan 8.240 nan 0.000 0.496 239 F N -0.380 119.524 119.950 -0.076 0.000 2.620 239 F HA 0.519 5.046 4.527 0.000 0.000 0.320 239 F C -0.377 175.598 175.800 0.291 0.000 1.069 239 F CA -1.577 56.495 58.000 0.119 0.000 0.953 239 F CB 1.269 40.348 39.000 0.131 0.000 1.322 239 F HN 0.721 nan 8.300 nan 0.000 0.479 240 Y N 2.200 122.778 120.300 0.464 0.000 2.526 240 Y HA 0.105 4.655 4.550 0.000 0.000 0.330 240 Y C 0.412 176.446 175.900 0.223 0.000 1.156 240 Y CA -0.197 58.092 58.100 0.314 0.000 1.419 240 Y CB 0.250 38.910 38.460 0.334 0.000 1.250 240 Y HN 0.447 nan 8.280 nan 0.000 0.540 241 N N 5.249 123.892 118.700 -0.096 0.000 2.555 241 N HA 0.136 4.876 4.740 0.000 0.000 0.244 241 N C 0.480 175.779 175.510 -0.350 0.000 1.114 241 N CA 0.563 53.423 53.050 -0.316 0.000 0.963 241 N CB 0.799 38.983 38.487 -0.505 0.000 1.276 241 N HN 0.892 nan 8.380 nan 0.000 0.510 242 A N 4.138 126.778 122.820 -0.298 0.000 2.131 242 A HA -0.104 4.216 4.320 0.000 0.000 0.220 242 A C 2.037 179.342 177.584 -0.464 0.000 1.158 242 A CA 0.848 52.758 52.037 -0.211 0.000 0.665 242 A CB -0.284 18.536 19.000 -0.300 0.000 0.795 242 A HN 0.737 nan 8.150 nan 0.000 0.460 243 L N -1.344 119.377 121.223 -0.837 0.000 2.275 243 L HA -0.130 4.210 4.340 0.000 0.000 0.215 243 L C 2.527 178.638 176.870 -1.264 0.000 1.119 243 L CA 0.861 54.947 54.840 -1.257 0.000 0.790 243 L CB -0.473 40.383 42.059 -2.005 0.000 0.919 243 L HN 0.363 nan 8.230 nan 0.000 0.443 244 R N 0.067 120.031 120.500 -0.894 0.000 2.241 244 R HA -0.111 4.230 4.340 0.000 0.000 0.224 244 R C 1.301 177.475 176.300 -0.211 0.000 1.101 244 R CA 0.696 56.574 56.100 -0.371 0.000 0.995 244 R CB 0.040 30.212 30.300 -0.214 0.000 0.870 244 R HN 0.352 nan 8.270 nan 0.000 0.463 245 E N -0.380 119.681 120.200 -0.231 0.000 2.481 245 E HA 0.152 4.502 4.350 0.000 0.000 0.198 245 E C 0.073 176.579 176.600 -0.157 0.000 1.027 245 E CA -0.022 56.305 56.400 -0.121 0.000 0.900 245 E CB 0.735 30.411 29.700 -0.040 0.000 0.993 245 E HN 0.194 nan 8.360 nan 0.000 0.482 246 A N 1.890 124.560 122.820 -0.251 0.000 2.386 246 A HA 0.123 4.443 4.320 0.000 0.000 0.248 246 A C 0.495 177.970 177.584 -0.180 0.000 1.082 246 A CA -0.357 51.552 52.037 -0.213 0.000 0.789 246 A CB 0.071 18.926 19.000 -0.242 0.000 1.025 246 A HN -0.006 nan 8.150 nan 0.000 0.490 247 N N 1.521 120.138 118.700 -0.138 0.000 2.671 247 N HA 0.213 4.953 4.740 0.000 0.000 0.274 247 N C 0.207 175.612 175.510 -0.174 0.000 1.188 247 N CA 0.170 53.150 53.050 -0.118 0.000 1.065 247 N CB -0.458 37.989 38.487 -0.067 0.000 1.415 247 N HN 0.584 nan 8.380 nan 0.000 0.511 248 L N 0.915 121.969 121.223 -0.282 0.000 2.470 248 L HA 0.330 4.671 4.340 0.000 0.000 0.219 248 L C 1.434 178.118 176.870 -0.310 0.000 1.071 248 L CA 0.309 54.845 54.840 -0.508 0.000 0.850 248 L CB -0.010 41.326 42.059 -1.205 0.000 1.040 248 L HN 0.593 nan 8.230 nan 0.000 0.475 249 G N -0.711 108.025 108.800 -0.105 0.000 2.160 249 G HA2 -0.229 3.731 3.960 0.000 0.000 0.244 249 G HA3 -0.229 3.731 3.960 0.000 0.000 0.244 249 G C -0.410 174.670 174.900 0.300 0.000 1.022 249 G CA -0.353 44.802 45.100 0.091 0.000 0.741 249 G HN 0.095 nan 8.290 nan 0.000 0.508 250 W N 1.047 122.390 121.300 0.071 0.000 2.448 250 W HA 0.732 5.392 4.660 0.001 0.000 0.339 250 W C 1.098 177.667 176.519 0.082 0.000 1.124 250 W CA -1.040 56.342 57.345 0.061 0.000 1.262 250 W CB 0.910 30.399 29.460 0.048 0.000 1.251 250 W HN 0.546 nan 8.180 nan 0.000 0.597 251 S N 0.437 116.325 115.700 0.314 0.000 2.608 251 S HA 0.001 4.471 4.470 0.000 0.000 0.261 251 S C 0.716 175.492 174.600 0.294 0.000 1.314 251 S CA -0.379 57.984 58.200 0.271 0.000 0.992 251 S CB 0.769 64.107 63.200 0.230 0.000 0.935 251 S HN 0.609 nan 8.310 nan 0.000 0.564 252 W N 1.300 122.678 121.300 0.131 0.000 2.321 252 W HA -0.119 4.542 4.660 0.000 0.000 0.306 252 W C 2.142 178.715 176.519 0.090 0.000 1.217 252 W CA 1.875 59.286 57.345 0.110 0.000 1.257 252 W CB -0.149 29.363 29.460 0.086 0.000 1.145 252 W HN 0.795 nan 8.180 nan 0.000 0.509 253 E N 0.238 120.706 120.200 0.447 0.000 2.077 253 E HA -0.220 4.130 4.350 0.000 0.000 0.193 253 E C 1.867 178.471 176.600 0.006 0.000 0.989 253 E CA 1.791 58.349 56.400 0.264 0.000 0.800 253 E CB -0.588 29.259 29.700 0.245 0.000 0.746 253 E HN 0.568 nan 8.360 nan 0.000 0.452 254 E N 0.633 120.839 120.200 0.010 0.000 2.072 254 E HA -0.114 4.236 4.350 0.000 0.000 0.191 254 E C 2.356 178.903 176.600 -0.088 0.000 0.985 254 E CA 0.589 56.916 56.400 -0.121 0.000 0.801 254 E CB -0.084 29.519 29.700 -0.163 0.000 0.750 254 E HN 0.172 nan 8.360 nan 0.000 0.452 255 L N 0.563 121.817 121.223 0.052 0.000 2.046 255 L HA -0.172 4.168 4.340 0.000 0.000 0.208 255 L C 2.568 179.345 176.870 -0.154 0.000 1.077 255 L CA 1.245 56.145 54.840 0.101 0.000 0.747 255 L CB -0.540 41.578 42.059 0.098 0.000 0.896 255 L HN 0.161 nan 8.230 nan 0.000 0.432 256 T N -0.859 113.459 114.554 -0.393 0.000 2.777 256 T HA -0.167 4.184 4.350 0.000 0.000 0.266 256 T C 2.047 176.567 174.700 -0.300 0.000 1.040 256 T CA 1.160 62.978 62.100 -0.470 0.000 1.141 256 T CB -0.140 68.223 68.868 -0.841 0.000 0.868 256 T HN 0.251 nan 8.240 nan 0.000 0.444 257 R N 0.759 121.100 120.500 -0.266 0.000 2.092 257 R HA 0.111 4.451 4.340 0.000 0.000 0.231 257 R C 2.683 178.793 176.300 -0.318 0.000 1.119 257 R CA 1.191 57.145 56.100 -0.243 0.000 0.970 257 R CB -0.284 29.889 30.300 -0.211 0.000 0.864 257 R HN 0.347 nan 8.270 nan 0.000 0.440 258 A N 0.205 122.750 122.820 -0.459 0.000 1.970 258 A HA 0.014 4.334 4.320 0.000 0.000 0.216 258 A C 0.277 177.445 177.584 -0.693 0.000 1.170 258 A CA 0.725 52.346 52.037 -0.693 0.000 0.645 258 A CB 0.217 18.556 19.000 -1.101 0.000 0.816 258 A HN 0.176 nan 8.150 nan 0.000 0.447 259 F N -0.093 119.798 119.950 -0.098 0.000 2.550 259 F HA 0.388 4.915 4.527 0.001 0.000 0.348 259 F C -2.827 172.816 175.800 -0.260 0.000 1.219 259 F CA -3.605 54.286 58.000 -0.182 0.000 1.203 259 F CB 0.256 39.122 39.000 -0.223 0.000 1.436 259 F HN -0.099 nan 8.300 nan 0.000 0.541 260 P HA 0.066 nan 4.420 nan 0.000 0.264 260 P C -0.072 177.191 177.300 -0.062 0.000 1.183 260 P CA 0.354 63.369 63.100 -0.141 0.000 0.763 260 P CB 0.948 32.526 31.700 -0.203 0.000 0.807 261 S N 2.230 117.903 115.700 -0.046 0.000 2.566 261 S HA 0.530 5.000 4.470 0.000 0.000 0.273 261 S C -2.728 171.870 174.600 -0.005 0.000 1.157 261 S CA -1.178 57.015 58.200 -0.012 0.000 0.938 261 S CB 0.530 63.620 63.200 -0.183 0.000 1.087 261 S HN 0.253 nan 8.310 nan 0.000 0.474 262 P HA 0.488 nan 4.420 nan 0.000 0.272 262 P C -0.893 176.562 177.300 0.258 0.000 1.230 262 P CA -0.244 62.946 63.100 0.150 0.000 0.788 262 P CB 0.190 31.933 31.700 0.072 0.000 0.949 263 F N -2.054 117.945 119.950 0.081 0.000 2.675 263 F HA 0.617 5.144 4.527 0.000 0.000 0.324 263 F C -0.770 175.139 175.800 0.182 0.000 1.106 263 F CA -1.605 56.463 58.000 0.113 0.000 0.970 263 F CB 0.493 39.589 39.000 0.159 0.000 1.385 263 F HN 0.123 nan 8.300 nan 0.000 0.489 264 S N 2.056 117.691 115.700 -0.108 0.000 2.465 264 S HA 0.406 4.876 4.470 0.000 0.000 0.279 264 S C -0.549 173.832 174.600 -0.365 0.000 1.201 264 S CA -0.401 57.696 58.200 -0.173 0.000 1.053 264 S CB 0.691 63.900 63.200 0.016 0.000 0.953 264 S HN 0.623 nan 8.310 nan 0.000 0.488 265 L N 5.878 126.833 121.223 -0.447 0.000 2.454 265 L HA 0.300 4.640 4.340 0.000 0.000 0.284 265 L C 0.578 177.380 176.870 -0.113 0.000 1.139 265 L CA 0.609 55.214 54.840 -0.392 0.000 0.911 265 L CB -0.819 40.932 42.059 -0.514 0.000 1.262 265 L HN 0.824 nan 8.230 nan 0.000 0.453 266 T N -0.103 114.437 114.554 -0.023 0.000 2.864 266 T HA 0.431 4.781 4.350 0.000 0.000 0.289 266 T C 1.068 175.749 174.700 -0.032 0.000 1.082 266 T CA -0.500 61.592 62.100 -0.014 0.000 1.009 266 T CB 1.023 69.896 68.868 0.010 0.000 1.234 266 T HN -0.036 nan 8.240 nan 0.000 0.526 267 V N 0.797 120.650 119.914 -0.102 0.000 2.343 267 V HA -0.092 4.028 4.120 0.000 0.000 0.247 267 V C 2.527 178.527 176.094 -0.157 0.000 1.051 267 V CA 2.481 64.702 62.300 -0.131 0.000 1.036 267 V CB -1.050 30.654 31.823 -0.199 0.000 0.654 267 V HN 1.101 nan 8.190 nan 0.000 0.451 268 D N 0.466 120.716 120.400 -0.249 0.000 2.144 268 D HA -0.163 4.477 4.640 0.000 0.000 0.199 268 D C 2.071 178.436 176.300 0.108 0.000 0.984 268 D CA 1.506 55.458 54.000 -0.082 0.000 0.834 268 D CB -0.127 40.691 40.800 0.031 0.000 0.955 268 D HN 0.373 nan 8.370 nan 0.000 0.465 269 A N 0.580 123.447 122.820 0.079 0.000 1.877 269 A HA 0.018 4.338 4.320 0.000 0.000 0.216 269 A C 2.446 179.911 177.584 -0.199 0.000 1.186 269 A CA 2.314 54.302 52.037 -0.082 0.000 0.620 269 A CB -1.270 17.827 19.000 0.161 0.000 0.822 269 A HN 0.359 nan 8.150 nan 0.000 0.443 270 A N -0.647 122.152 122.820 -0.036 0.000 1.877 270 A HA -0.015 4.305 4.320 0.000 0.000 0.216 270 A C 2.255 179.926 177.584 0.144 0.000 1.186 270 A CA 1.891 53.952 52.037 0.040 0.000 0.620 270 A CB -1.003 18.021 19.000 0.040 0.000 0.822 270 A HN 0.413 nan 8.150 nan 0.000 0.443 271 V N -0.026 119.952 119.914 0.107 0.000 2.295 271 V HA -0.249 3.871 4.120 0.000 0.000 0.246 271 V C 2.721 178.944 176.094 0.215 0.000 1.049 271 V CA 2.026 64.428 62.300 0.169 0.000 1.024 271 V CB -0.755 31.238 31.823 0.284 0.000 0.648 271 V HN 0.527 nan 8.190 nan 0.000 0.447 272 Q N -0.259 119.649 119.800 0.181 0.000 2.170 272 Q HA -0.211 4.130 4.340 0.000 0.000 0.203 272 Q C 2.242 178.327 176.000 0.141 0.000 0.976 272 Q CA 1.525 57.441 55.803 0.189 0.000 0.858 272 Q CB -0.387 28.517 28.738 0.278 0.000 0.907 272 Q HN 0.710 nan 8.270 nan 0.000 0.433 273 Q N -0.739 119.055 119.800 -0.009 0.000 2.119 273 Q HA -0.168 4.173 4.340 0.000 0.000 0.201 273 Q C 1.843 178.016 176.000 0.287 0.000 0.972 273 Q CA 1.247 57.079 55.803 0.049 0.000 0.847 273 Q CB -0.129 28.486 28.738 -0.204 0.000 0.903 273 Q HN 0.538 nan 8.270 nan 0.000 0.433 274 H N 0.046 119.230 119.070 0.191 0.000 2.357 274 H HA -0.060 4.497 4.556 0.000 0.000 0.301 274 H C 1.795 177.216 175.328 0.156 0.000 1.082 274 H CA 1.175 57.344 56.048 0.202 0.000 1.342 274 H CB -0.039 29.814 29.762 0.152 0.000 1.389 274 H HN 0.123 nan 8.280 nan 0.000 0.511 275 L N -0.322 121.060 121.223 0.264 0.000 2.275 275 L HA -0.127 4.213 4.340 0.000 0.000 0.215 275 L C 1.984 178.945 176.870 0.153 0.000 1.119 275 L CA 0.722 55.670 54.840 0.180 0.000 0.790 275 L CB -0.287 41.867 42.059 0.158 0.000 0.919 275 L HN 0.361 nan 8.230 nan 0.000 0.443 276 M N -1.218 118.496 119.600 0.191 0.000 2.374 276 M HA -0.077 4.404 4.480 0.000 0.000 0.264 276 M C 0.454 176.846 176.300 0.153 0.000 1.067 276 M CA 0.913 56.317 55.300 0.172 0.000 1.103 276 M CB -0.057 32.691 32.600 0.247 0.000 1.402 276 M HN 0.152 nan 8.290 nan 0.000 0.444 277 M N 1.063 120.741 119.600 0.130 0.000 2.180 277 M HA 0.158 4.638 4.480 0.000 0.000 0.358 277 M C 0.073 176.403 176.300 0.049 0.000 1.233 277 M CA -0.102 55.233 55.300 0.059 0.000 1.114 277 M CB 0.537 33.069 32.600 -0.113 0.000 1.594 277 M HN 0.067 nan 8.290 nan 0.000 0.467 278 E N 1.062 121.294 120.200 0.052 0.000 2.414 278 E HA 0.253 4.604 4.350 0.000 0.000 0.263 278 E C 1.001 177.620 176.600 0.031 0.000 1.000 278 E CA 1.091 57.516 56.400 0.040 0.000 0.914 278 E CB 0.375 30.102 29.700 0.045 0.000 0.948 278 E HN 0.904 nan 8.360 nan 0.000 0.444 279 G N 2.685 111.503 108.800 0.030 0.000 2.143 279 G HA2 -0.237 3.724 3.960 0.000 0.000 0.249 279 G HA3 -0.237 3.724 3.960 0.000 0.000 0.249 279 G C -0.126 174.793 174.900 0.032 0.000 0.981 279 G CA 0.123 45.238 45.100 0.025 0.000 0.665 279 G HN 0.488 nan 8.290 nan 0.000 0.528 280 V N 3.187 123.129 119.914 0.046 0.000 2.294 280 V HA 0.451 4.571 4.120 0.000 0.000 0.272 280 V C -1.322 174.815 176.094 0.072 0.000 1.027 280 V CA -1.341 61.000 62.300 0.070 0.000 0.823 280 V CB 1.476 33.358 31.823 0.098 0.000 1.030 280 V HN 0.293 nan 8.190 nan 0.000 0.457 281 P HA 0.185 nan 4.420 nan 0.000 0.279 281 P C 0.975 178.314 177.300 0.064 0.000 1.239 281 P CA -0.174 62.956 63.100 0.049 0.000 0.789 281 P CB 1.551 33.267 31.700 0.028 0.000 0.933 282 S N 2.522 118.258 115.700 0.060 0.000 2.382 282 S HA -0.185 4.286 4.470 0.000 0.000 0.228 282 S C 1.906 176.549 174.600 0.070 0.000 1.027 282 S CA 1.010 59.251 58.200 0.067 0.000 0.991 282 S CB -1.300 61.930 63.200 0.050 0.000 0.823 282 S HN 0.527 nan 8.310 nan 0.000 0.469 283 A N 1.638 124.493 122.820 0.059 0.000 2.125 283 A HA 0.017 4.337 4.320 0.000 0.000 0.219 283 A C 2.142 179.795 177.584 0.114 0.000 1.156 283 A CA 1.263 53.343 52.037 0.072 0.000 0.671 283 A CB -0.426 18.599 19.000 0.042 0.000 0.794 283 A HN 0.614 nan 8.150 nan 0.000 0.459 284 K N -0.855 119.599 120.400 0.091 0.000 2.367 284 K HA 0.283 4.603 4.320 0.000 0.000 0.194 284 K C -0.319 176.396 176.600 0.191 0.000 1.027 284 K CA -0.032 56.321 56.287 0.110 0.000 1.075 284 K CB 0.253 32.769 32.500 0.027 0.000 0.845 284 K HN 0.445 nan 8.250 nan 0.000 0.529 285 I N 2.068 122.723 120.570 0.141 0.000 2.371 285 I HA 0.067 4.237 4.170 0.000 0.000 0.290 285 I C -0.383 175.791 176.117 0.096 0.000 1.028 285 I CA -0.534 60.825 61.300 0.098 0.000 1.345 285 I CB 1.306 39.344 38.000 0.063 0.000 1.407 285 I HN -0.279 nan 8.210 nan 0.000 0.501 286 V N 7.546 127.501 119.914 0.068 0.000 2.495 286 V HA 0.315 4.435 4.120 0.000 0.000 0.298 286 V C 0.109 176.235 176.094 0.054 0.000 1.031 286 V CA -0.684 61.633 62.300 0.029 0.000 0.871 286 V CB 1.830 33.616 31.823 -0.061 0.000 0.988 286 V HN 0.693 nan 8.190 nan 0.000 0.432 287 M N 4.305 123.958 119.600 0.089 0.000 2.120 287 M HA 0.511 4.991 4.480 0.000 0.000 0.354 287 M C 0.507 176.901 176.300 0.156 0.000 1.287 287 M CA -0.116 55.253 55.300 0.115 0.000 1.103 287 M CB 0.510 33.199 32.600 0.147 0.000 1.623 287 M HN 0.800 nan 8.290 nan 0.000 0.471 288 G N 4.154 113.072 108.800 0.197 0.000 2.420 288 G HA2 0.550 4.510 3.960 0.000 0.000 0.284 288 G HA3 0.550 4.510 3.960 0.000 0.000 0.284 288 G C -0.870 174.302 174.900 0.454 0.000 1.177 288 G CA -0.536 44.786 45.100 0.371 0.000 0.841 288 G HN 0.822 nan 8.290 nan 0.000 0.527 289 V N -0.628 119.535 119.914 0.414 0.000 3.007 289 V HA 0.879 4.999 4.120 0.000 0.000 0.311 289 V C -2.756 173.401 176.094 0.105 0.000 1.120 289 V CA -2.711 59.781 62.300 0.320 0.000 0.980 289 V CB 2.623 34.556 31.823 0.183 0.000 1.033 289 V HN 0.643 nan 8.190 nan 0.000 0.429 290 P HA 0.459 nan 4.420 nan 0.000 0.294 290 P C -0.823 176.600 177.300 0.204 0.000 1.294 290 P CA -0.269 62.636 63.100 -0.324 0.000 0.827 290 P CB 1.406 32.608 31.700 -0.830 0.000 0.992 291 F N 2.388 122.330 119.950 -0.013 0.000 2.668 291 F HA 0.235 4.762 4.527 0.000 0.000 0.297 291 F C 0.402 176.268 175.800 0.109 0.000 1.124 291 F CA -0.549 57.479 58.000 0.046 0.000 1.353 291 F CB -0.648 38.366 39.000 0.022 0.000 0.992 291 F HN 0.251 nan 8.300 nan 0.000 0.524 292 Y N -2.593 117.843 120.300 0.227 0.000 2.615 292 Y HA 0.859 5.409 4.550 0.001 0.000 0.341 292 Y C -0.155 175.840 175.900 0.159 0.000 1.089 292 Y CA -2.166 56.019 58.100 0.141 0.000 1.049 292 Y CB 0.890 39.418 38.460 0.113 0.000 1.296 292 Y HN -0.114 nan 8.280 nan 0.000 0.470 293 G N 1.119 110.053 108.800 0.223 0.000 2.511 293 G HA2 0.708 4.668 3.960 0.000 0.000 0.318 293 G HA3 0.708 4.668 3.960 0.000 0.000 0.318 293 G C -1.521 173.519 174.900 0.233 0.000 1.210 293 G CA -1.534 43.673 45.100 0.179 0.000 0.969 293 G HN 0.673 nan 8.290 nan 0.000 0.484 294 R N -0.278 120.337 120.500 0.192 0.000 2.494 294 R HA 0.641 4.982 4.340 0.000 0.000 0.305 294 R C -0.453 175.909 176.300 0.104 0.000 0.959 294 R CA -0.498 55.673 56.100 0.119 0.000 0.864 294 R CB 2.142 32.505 30.300 0.105 0.000 1.159 294 R HN 0.631 nan 8.270 nan 0.000 0.446 295 A N 3.154 125.979 122.820 0.009 0.000 2.340 295 A HA 0.814 5.134 4.320 0.000 0.000 0.331 295 A C -1.216 176.491 177.584 0.204 0.000 1.140 295 A CA -0.476 51.692 52.037 0.218 0.000 0.801 295 A CB 0.735 19.860 19.000 0.207 0.000 1.234 295 A HN 0.540 nan 8.150 nan 0.000 0.469 296 F N 0.435 120.570 119.950 0.308 0.000 2.576 296 F HA 0.581 5.109 4.527 0.000 0.000 0.313 296 F C 0.380 176.158 175.800 -0.037 0.000 1.078 296 F CA -0.648 57.418 58.000 0.109 0.000 0.921 296 F CB 2.385 41.367 39.000 -0.029 0.000 1.232 296 F HN 0.705 nan 8.300 nan 0.000 0.459 297 K N -0.436 119.838 120.400 -0.211 0.000 2.295 297 K HA 0.826 5.147 4.320 0.000 0.000 0.239 297 K C 0.409 176.936 176.600 -0.122 0.000 0.991 297 K CA -0.692 55.352 56.287 -0.405 0.000 0.845 297 K CB 1.956 33.719 32.500 -1.229 0.000 1.197 297 K HN 0.937 nan 8.250 nan 0.000 0.441 298 G N -0.164 108.583 108.800 -0.089 0.000 2.147 298 G HA2 -0.240 3.720 3.960 0.000 0.000 0.244 298 G HA3 -0.240 3.720 3.960 0.000 0.000 0.244 298 G C -0.026 174.901 174.900 0.044 0.000 1.005 298 G CA 0.141 45.228 45.100 -0.022 0.000 0.713 298 G HN 0.988 nan 8.290 nan 0.000 0.515 299 V N -1.675 118.290 119.914 0.086 0.000 2.785 299 V HA 0.877 4.997 4.120 0.000 0.000 0.300 299 V C 0.614 176.764 176.094 0.093 0.000 1.062 299 V CA 0.074 62.423 62.300 0.083 0.000 1.029 299 V CB 1.691 33.574 31.823 0.101 0.000 1.024 299 V HN 0.564 nan 8.190 nan 0.000 0.477 300 S N 2.472 118.193 115.700 0.035 0.000 2.632 300 S HA 0.712 5.182 4.470 0.000 0.000 0.271 300 S C 0.497 175.123 174.600 0.044 0.000 1.260 300 S CA 0.057 58.279 58.200 0.036 0.000 1.010 300 S CB 1.355 64.548 63.200 -0.012 0.000 0.965 300 S HN 1.384 nan 8.310 nan 0.000 0.534 301 G N -0.755 108.089 108.800 0.074 0.000 2.543 301 G HA2 0.549 4.509 3.960 0.000 0.000 0.290 301 G HA3 0.549 4.509 3.960 0.000 0.000 0.290 301 G C 0.861 175.728 174.900 -0.056 0.000 1.310 301 G CA -0.108 45.022 45.100 0.050 0.000 1.025 301 G HN 1.311 nan 8.290 nan 0.000 0.502 302 G N -0.705 108.046 108.800 -0.082 0.000 2.659 302 G HA2 -0.254 3.707 3.960 0.000 0.000 0.202 302 G HA3 -0.254 3.707 3.960 0.000 0.000 0.202 302 G C 0.685 175.521 174.900 -0.106 0.000 1.186 302 G CA 0.516 45.574 45.100 -0.070 0.000 0.783 302 G HN 0.917 nan 8.290 nan 0.000 0.521 303 N N 0.929 119.519 118.700 -0.184 0.000 2.480 303 N HA 0.431 5.171 4.740 0.000 0.000 0.281 303 N C 1.216 176.558 175.510 -0.279 0.000 1.381 303 N CA 0.692 53.626 53.050 -0.194 0.000 0.903 303 N CB -0.048 38.316 38.487 -0.206 0.000 1.274 303 N HN 1.424 nan 8.380 nan 0.000 0.505 304 G N 0.242 108.799 108.800 -0.404 0.000 2.203 304 G HA2 -0.291 3.670 3.960 0.000 0.000 0.263 304 G HA3 -0.291 3.670 3.960 0.000 0.000 0.263 304 G C 0.893 175.419 174.900 -0.625 0.000 1.012 304 G CA 0.340 45.066 45.100 -0.624 0.000 0.749 304 G HN 0.835 nan 8.290 nan 0.000 0.512 305 G N -1.976 106.459 108.800 -0.609 0.000 2.195 305 G HA2 -0.246 3.714 3.960 0.000 0.000 0.246 305 G HA3 -0.246 3.714 3.960 0.000 0.000 0.246 305 G C 0.351 174.762 174.900 -0.814 0.000 0.984 305 G CA 0.870 45.786 45.100 -0.306 0.000 0.633 305 G HN 1.174 nan 8.290 nan 0.000 0.525 306 Q N -0.557 118.684 119.800 -0.931 0.000 2.332 306 Q HA 0.458 4.798 4.340 0.000 0.000 0.263 306 Q C 0.428 175.773 176.000 -1.091 0.000 0.979 306 Q CA -0.405 54.515 55.803 -1.472 0.000 0.885 306 Q CB 0.283 28.049 28.738 -1.621 0.000 1.218 306 Q HN 0.643 nan 8.270 nan 0.000 0.405 307 Y N -1.270 118.629 120.300 -0.668 0.000 3.305 307 Y HA -0.265 4.286 4.550 0.000 0.000 0.212 307 Y C 0.046 175.746 175.900 -0.333 0.000 1.248 307 Y CA 0.674 58.522 58.100 -0.420 0.000 1.359 307 Y CB -2.344 35.943 38.460 -0.289 0.000 1.407 307 Y HN 0.476 nan 8.280 nan 0.000 0.572 308 S N -0.160 115.362 115.700 -0.296 0.000 2.638 308 S HA 0.797 5.267 4.470 0.000 0.000 0.298 308 S C 0.432 174.968 174.600 -0.107 0.000 1.111 308 S CA -0.116 57.971 58.200 -0.188 0.000 1.027 308 S CB 1.233 64.308 63.200 -0.209 0.000 1.064 308 S HN 0.577 nan 8.310 nan 0.000 0.525 309 S N 1.520 117.184 115.700 -0.059 0.000 2.600 309 S HA 0.549 5.019 4.470 0.000 0.000 0.265 309 S C -0.307 174.308 174.600 0.025 0.000 1.325 309 S CA -0.122 58.053 58.200 -0.042 0.000 1.002 309 S CB 0.082 63.238 63.200 -0.073 0.000 0.921 309 S HN 1.077 nan 8.310 nan 0.000 0.554 310 H N -2.397 116.652 119.070 -0.035 0.000 2.960 310 H HA 0.678 5.235 4.556 0.000 0.000 0.323 310 H C -0.741 174.588 175.328 0.002 0.000 1.326 310 H CA -0.508 55.538 56.048 -0.002 0.000 1.124 310 H CB 0.938 30.750 29.762 0.083 0.000 1.853 310 H HN 0.581 nan 8.280 nan 0.000 0.536 311 S N -0.215 115.523 115.700 0.064 0.000 2.668 311 S HA 0.265 4.735 4.470 0.000 0.000 0.244 311 S C -0.694 173.957 174.600 0.085 0.000 1.140 311 S CA -0.522 57.669 58.200 -0.015 0.000 1.134 311 S CB -0.645 62.521 63.200 -0.057 0.000 0.954 311 S HN 0.644 nan 8.310 nan 0.000 0.490 312 T N 4.569 119.356 114.554 0.389 0.000 2.743 312 T HA 0.434 4.785 4.350 0.000 0.000 0.293 312 T C -2.621 172.247 174.700 0.280 0.000 0.945 312 T CA -1.112 61.162 62.100 0.290 0.000 1.030 312 T CB 0.773 69.776 68.868 0.225 0.000 0.912 312 T HN 0.211 nan 8.240 nan 0.000 0.483 313 P HA 0.188 nan 4.420 nan 0.000 0.266 313 P C 0.868 178.313 177.300 0.241 0.000 1.195 313 P CA 0.004 63.239 63.100 0.225 0.000 0.768 313 P CB 0.479 32.313 31.700 0.223 0.000 0.838 314 G N 1.330 110.248 108.800 0.197 0.000 2.850 314 G HA2 0.017 3.978 3.960 0.000 0.000 0.211 314 G HA3 0.017 3.978 3.960 0.000 0.000 0.211 314 G C 0.110 175.136 174.900 0.209 0.000 1.124 314 G CA 0.004 45.240 45.100 0.227 0.000 0.769 314 G HN 0.407 nan 8.290 nan 0.000 0.535 315 E N 0.539 120.832 120.200 0.155 0.000 2.422 315 E HA 0.398 4.748 4.350 0.000 0.000 0.260 315 E C -0.959 175.727 176.600 0.143 0.000 1.108 315 E CA 0.298 56.772 56.400 0.123 0.000 0.943 315 E CB 0.893 30.637 29.700 0.074 0.000 0.961 315 E HN 0.177 nan 8.360 nan 0.000 0.443 316 D N 0.800 121.274 120.400 0.123 0.000 2.757 316 D HA 0.306 4.947 4.640 0.000 0.000 0.249 316 D C -2.255 174.110 176.300 0.109 0.000 1.168 316 D CA -1.412 52.664 54.000 0.127 0.000 0.870 316 D CB 0.785 41.657 40.800 0.121 0.000 1.411 316 D HN 0.255 nan 8.370 nan 0.000 0.525 317 P HA 0.106 nan 4.420 nan 0.000 0.275 317 P C -0.659 176.740 177.300 0.165 0.000 1.266 317 P CA -0.460 62.720 63.100 0.133 0.000 0.793 317 P CB 0.314 32.084 31.700 0.117 0.000 1.074 318 Y N 2.392 122.739 120.300 0.080 0.000 2.729 318 Y HA 0.015 4.566 4.550 0.000 0.000 0.331 318 Y C -0.989 174.973 175.900 0.104 0.000 1.208 318 Y CA -1.450 56.712 58.100 0.103 0.000 1.521 318 Y CB 0.041 38.567 38.460 0.109 0.000 1.233 318 Y HN 0.273 nan 8.280 nan 0.000 0.539 319 P HA -0.067 nan 4.420 nan 0.000 0.222 319 P C 0.329 177.452 177.300 -0.294 0.000 1.153 319 P CA 0.681 63.642 63.100 -0.231 0.000 0.798 319 P CB 0.415 32.017 31.700 -0.163 0.000 0.796 320 S N -1.288 114.041 115.700 -0.619 0.000 2.738 320 S HA 0.354 4.824 4.470 0.000 0.000 0.284 320 S C 0.930 175.459 174.600 -0.119 0.000 1.146 320 S CA -0.026 57.964 58.200 -0.351 0.000 0.997 320 S CB 1.016 64.027 63.200 -0.314 0.000 1.081 320 S HN 0.013 nan 8.310 nan 0.000 0.553 321 T N 0.278 114.776 114.554 -0.093 0.000 3.044 321 T HA 0.206 4.557 4.350 0.000 0.000 0.260 321 T C -0.214 174.128 174.700 -0.596 0.000 1.019 321 T CA -0.207 61.743 62.100 -0.250 0.000 0.921 321 T CB -0.413 68.352 68.868 -0.172 0.000 1.053 321 T HN 0.610 nan 8.240 nan 0.000 0.533 322 D N 1.722 122.010 120.400 -0.186 0.000 2.346 322 D HA 0.066 4.707 4.640 0.000 0.000 0.260 322 D C -1.162 175.149 176.300 0.018 0.000 1.252 322 D CA -0.133 53.842 54.000 -0.042 0.000 0.895 322 D CB 0.012 40.943 40.800 0.218 0.000 1.097 322 D HN 0.259 nan 8.370 nan 0.000 0.489 323 Y N 5.028 125.351 120.300 0.039 0.000 2.593 323 Y HA 0.191 4.742 4.550 0.000 0.000 0.331 323 Y C 0.615 176.413 175.900 -0.170 0.000 0.986 323 Y CA -1.371 56.590 58.100 -0.232 0.000 1.262 323 Y CB 0.144 38.478 38.460 -0.209 0.000 1.098 323 Y HN 0.523 nan 8.280 nan 0.000 0.506 324 W N 1.585 122.942 121.300 0.096 0.000 3.290 324 W HA 0.262 4.922 4.660 0.000 0.000 0.287 324 W C -0.672 175.833 176.519 -0.022 0.000 1.288 324 W CA -0.411 56.950 57.345 0.027 0.000 1.725 324 W CB 0.157 29.641 29.460 0.041 0.000 1.103 324 W HN 0.331 nan 8.180 nan 0.000 0.670 325 L N 3.214 124.333 121.223 -0.172 0.000 2.334 325 L HA 0.262 4.602 4.340 0.000 0.000 0.286 325 L C 0.261 177.082 176.870 -0.083 0.000 1.108 325 L CA -0.799 53.997 54.840 -0.073 0.000 0.875 325 L CB 0.328 42.184 42.059 -0.337 0.000 1.246 325 L HN -0.222 nan 8.230 nan 0.000 0.439 326 V N 6.024 125.923 119.914 -0.025 0.000 2.584 326 V HA 0.229 4.350 4.120 0.000 0.000 0.303 326 V C 1.564 177.455 176.094 -0.339 0.000 1.035 326 V CA 1.188 63.402 62.300 -0.143 0.000 1.172 326 V CB 0.048 31.747 31.823 -0.205 0.000 0.896 326 V HN 1.066 nan 8.190 nan 0.000 0.486 327 G N 3.109 111.555 108.800 -0.590 0.000 2.205 327 G HA2 -0.294 3.666 3.960 0.000 0.000 0.261 327 G HA3 -0.294 3.666 3.960 0.000 0.000 0.261 327 G C 0.544 175.147 174.900 -0.495 0.000 0.980 327 G CA 0.073 44.541 45.100 -1.054 0.000 0.632 327 G HN 0.996 nan 8.290 nan 0.000 0.533 328 C N 2.141 121.234 119.300 -0.344 0.000 2.183 328 C HA 0.595 5.055 4.460 0.000 0.000 0.409 328 C C 1.771 176.618 174.990 -0.237 0.000 1.022 328 C CA 0.108 58.956 59.018 -0.284 0.000 1.367 328 C CB -1.299 26.259 27.740 -0.304 0.000 1.650 328 C HN 0.540 nan 8.230 nan 0.000 0.499 329 E N 0.999 121.089 120.200 -0.182 0.000 2.208 329 E HA -0.182 4.168 4.350 0.000 0.000 0.193 329 E C 1.976 178.477 176.600 -0.165 0.000 0.988 329 E CA 0.734 57.049 56.400 -0.143 0.000 0.828 329 E CB 0.098 29.749 29.700 -0.082 0.000 0.763 329 E HN 0.856 nan 8.360 nan 0.000 0.478 330 E N 0.679 120.778 120.200 -0.169 0.000 2.118 330 E HA -0.207 4.144 4.350 0.000 0.000 0.195 330 E C 1.833 178.296 176.600 -0.227 0.000 0.992 330 E CA 1.196 57.499 56.400 -0.161 0.000 0.804 330 E CB -0.027 29.586 29.700 -0.146 0.000 0.741 330 E HN 0.255 nan 8.360 nan 0.000 0.458 331 C N 0.176 119.297 119.300 -0.299 0.000 2.422 331 C HA -0.075 4.385 4.460 0.000 0.000 0.279 331 C C 2.620 177.237 174.990 -0.621 0.000 1.305 331 C CA 0.449 59.208 59.018 -0.433 0.000 1.757 331 C CB -0.732 26.718 27.740 -0.483 0.000 1.962 331 C HN 0.349 nan 8.230 nan 0.000 0.499 332 V N 0.919 120.520 119.914 -0.522 0.000 2.379 332 V HA -0.155 3.965 4.120 0.000 0.000 0.245 332 V C 2.678 178.559 176.094 -0.355 0.000 1.044 332 V CA 1.874 63.830 62.300 -0.574 0.000 1.036 332 V CB -0.752 30.948 31.823 -0.205 0.000 0.664 332 V HN 0.514 nan 8.190 nan 0.000 0.453 333 R N 0.427 120.792 120.500 -0.224 0.000 2.081 333 R HA -0.178 4.163 4.340 0.000 0.000 0.235 333 R C 1.563 177.783 176.300 -0.134 0.000 1.131 333 R CA 2.049 58.071 56.100 -0.131 0.000 0.960 333 R CB -0.232 30.012 30.300 -0.094 0.000 0.856 333 R HN 0.458 nan 8.270 nan 0.000 0.436 334 D N 0.369 120.657 120.400 -0.185 0.000 2.339 334 D HA 0.022 4.662 4.640 0.000 0.000 0.217 334 D C -0.093 176.097 176.300 -0.183 0.000 1.050 334 D CA 0.316 54.229 54.000 -0.146 0.000 0.856 334 D CB 0.285 41.008 40.800 -0.128 0.000 0.922 334 D HN 0.189 nan 8.370 nan 0.000 0.518 335 K N 0.826 121.023 120.400 -0.338 0.000 3.071 335 K HA -0.174 4.146 4.320 0.000 0.000 0.265 335 K C -0.558 175.893 176.600 -0.249 0.000 1.060 335 K CA 0.584 56.664 56.287 -0.346 0.000 0.767 335 K CB -1.124 31.394 32.500 0.029 0.000 1.241 335 K HN 0.102 nan 8.250 nan 0.000 0.486 336 D N -0.691 119.418 120.400 -0.485 0.000 2.591 336 D HA 0.119 4.760 4.640 0.000 0.000 0.222 336 D C -2.337 173.560 176.300 -0.672 0.000 1.360 336 D CA -1.607 52.089 54.000 -0.507 0.000 0.967 336 D CB 1.587 42.244 40.800 -0.239 0.000 1.456 336 D HN -0.157 nan 8.370 nan 0.000 0.588 337 P HA 0.143 nan 4.420 nan 0.000 0.249 337 P C 0.661 177.401 177.300 -0.933 0.000 1.229 337 P CA 0.016 62.467 63.100 -1.081 0.000 0.788 337 P CB 0.464 31.108 31.700 -1.761 0.000 1.072 338 R N -0.749 119.412 120.500 -0.565 0.000 2.300 338 R HA 0.273 4.613 4.340 0.000 0.000 0.199 338 R C 0.798 176.996 176.300 -0.170 0.000 0.920 338 R CA 0.161 56.109 56.100 -0.253 0.000 1.046 338 R CB 0.373 30.608 30.300 -0.108 0.000 0.984 338 R HN 0.192 nan 8.270 nan 0.000 0.493 339 I N 0.173 120.629 120.570 -0.190 0.000 2.619 339 I HA 0.541 4.712 4.170 0.000 0.000 0.292 339 I C -1.829 174.218 176.117 -0.117 0.000 1.100 339 I CA -0.842 60.408 61.300 -0.083 0.000 1.043 339 I CB 2.051 39.998 38.000 -0.088 0.000 1.239 339 I HN -0.072 nan 8.210 nan 0.000 0.420 340 A N 5.221 128.015 122.820 -0.044 0.000 2.455 340 A HA 0.676 4.997 4.320 0.000 0.000 0.300 340 A C -0.387 177.188 177.584 -0.015 0.000 1.040 340 A CA -0.369 51.608 52.037 -0.101 0.000 0.697 340 A CB 1.413 20.296 19.000 -0.194 0.000 1.265 340 A HN 0.857 nan 8.150 nan 0.000 0.407 341 S N 1.291 116.965 115.700 -0.044 0.000 2.579 341 S HA 0.203 4.673 4.470 0.000 0.000 0.275 341 S C 0.857 175.421 174.600 -0.060 0.000 1.345 341 S CA 0.271 58.471 58.200 -0.001 0.000 1.031 341 S CB 0.138 63.298 63.200 -0.067 0.000 0.892 341 S HN 1.191 nan 8.310 nan 0.000 0.529 342 Y N 2.471 122.717 120.300 -0.090 0.000 2.207 342 Y HA -0.194 4.356 4.550 0.001 0.000 0.287 342 Y C 2.657 178.450 175.900 -0.179 0.000 1.156 342 Y CA 2.122 60.125 58.100 -0.161 0.000 1.182 342 Y CB -0.354 37.981 38.460 -0.209 0.000 0.979 342 Y HN 0.857 nan 8.280 nan 0.000 0.521 343 R N 0.005 120.374 120.500 -0.219 0.000 2.096 343 R HA -0.288 4.052 4.340 0.000 0.000 0.240 343 R C 2.367 178.482 176.300 -0.309 0.000 1.139 343 R CA 2.151 58.109 56.100 -0.237 0.000 0.952 343 R CB -0.427 29.816 30.300 -0.095 0.000 0.854 343 R HN 0.421 nan 8.270 nan 0.000 0.436 344 Q N 0.564 120.206 119.800 -0.264 0.000 2.079 344 Q HA -0.057 4.283 4.340 0.000 0.000 0.200 344 Q C 2.081 177.873 176.000 -0.348 0.000 0.974 344 Q CA 1.629 57.279 55.803 -0.256 0.000 0.840 344 Q CB -0.223 28.386 28.738 -0.215 0.000 0.898 344 Q HN 0.498 nan 8.270 nan 0.000 0.430 345 L N 0.285 121.235 121.223 -0.456 0.000 2.083 345 L HA -0.168 4.172 4.340 0.000 0.000 0.209 345 L C 2.497 179.024 176.870 -0.572 0.000 1.083 345 L CA 1.701 56.194 54.840 -0.577 0.000 0.752 345 L CB -0.437 41.186 42.059 -0.726 0.000 0.899 345 L HN 0.414 nan 8.230 nan 0.000 0.433 346 E N -0.144 119.659 120.200 -0.662 0.000 2.072 346 E HA -0.244 4.106 4.350 0.000 0.000 0.191 346 E C 2.207 178.640 176.600 -0.278 0.000 0.985 346 E CA 0.989 57.075 56.400 -0.524 0.000 0.801 346 E CB 0.097 29.399 29.700 -0.664 0.000 0.750 346 E HN 0.499 nan 8.360 nan 0.000 0.452 347 Q N -0.263 119.392 119.800 -0.242 0.000 2.084 347 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 347 Q C 2.175 178.162 176.000 -0.022 0.000 0.978 347 Q CA 1.639 57.377 55.803 -0.108 0.000 0.844 347 Q CB -0.028 28.657 28.738 -0.089 0.000 0.898 347 Q HN 0.353 nan 8.270 nan 0.000 0.426 348 M N -0.035 119.509 119.600 -0.093 0.000 2.213 348 M HA -0.169 4.311 4.480 0.000 0.000 0.263 348 M C 1.801 178.182 176.300 0.134 0.000 1.062 348 M CA 1.219 56.533 55.300 0.024 0.000 1.105 348 M CB -0.011 32.403 32.600 -0.310 0.000 1.385 348 M HN 0.192 nan 8.290 nan 0.000 0.417 349 L N -0.574 120.624 121.223 -0.041 0.000 2.395 349 L HA -0.127 4.213 4.340 0.000 0.000 0.218 349 L C 2.023 178.910 176.870 0.029 0.000 1.130 349 L CA 0.567 55.411 54.840 0.006 0.000 0.826 349 L CB -0.286 41.732 42.059 -0.068 0.000 0.941 349 L HN 0.324 nan 8.230 nan 0.000 0.451 350 Q N -0.750 119.058 119.800 0.013 0.000 2.319 350 Q HA 0.132 4.472 4.340 0.000 0.000 0.202 350 Q C 1.667 177.659 176.000 -0.013 0.000 0.896 350 Q CA 0.458 56.258 55.803 -0.004 0.000 0.942 350 Q CB 0.844 29.569 28.738 -0.022 0.000 1.083 350 Q HN 0.378 nan 8.270 nan 0.000 0.510 351 G N 0.981 109.797 108.800 0.025 0.000 3.189 351 G HA2 -0.055 3.905 3.960 0.000 0.000 0.225 351 G HA3 -0.055 3.905 3.960 0.000 0.000 0.225 351 G C 0.420 175.044 174.900 -0.460 0.000 1.159 351 G CA -0.374 44.610 45.100 -0.194 0.000 0.763 351 G HN 0.281 nan 8.290 nan 0.000 0.549 352 N N -0.751 117.850 118.700 -0.165 0.000 2.688 352 N HA -0.230 4.510 4.740 0.000 0.000 0.258 352 N C -0.089 175.307 175.510 -0.191 0.000 1.016 352 N CA 0.349 53.315 53.050 -0.140 0.000 0.747 352 N CB -1.407 36.987 38.487 -0.155 0.000 0.895 352 N HN 0.467 nan 8.380 nan 0.000 0.543 353 Y N -0.961 119.392 120.300 0.088 0.000 2.458 353 Y HA 0.347 4.897 4.550 0.000 0.000 0.256 353 Y C 1.963 177.869 175.900 0.011 0.000 1.159 353 Y CA 0.505 58.661 58.100 0.094 0.000 1.261 353 Y CB 0.424 39.014 38.460 0.215 0.000 1.119 353 Y HN 0.385 nan 8.280 nan 0.000 0.524 354 G N -0.919 107.914 108.800 0.055 0.000 2.134 354 G HA2 -0.269 3.691 3.960 0.000 0.000 0.209 354 G HA3 -0.269 3.691 3.960 0.000 0.000 0.209 354 G C -0.468 174.177 174.900 -0.424 0.000 0.993 354 G CA -0.617 44.339 45.100 -0.241 0.000 0.669 354 G HN 0.234 nan 8.290 nan 0.000 0.519 355 Y N 0.774 121.091 120.300 0.029 0.000 2.334 355 Y HA 0.604 5.154 4.550 0.000 0.000 0.328 355 Y C 0.950 176.848 175.900 -0.002 0.000 1.130 355 Y CA -0.335 57.787 58.100 0.037 0.000 1.163 355 Y CB 1.097 39.614 38.460 0.096 0.000 1.207 355 Y HN 0.233 nan 8.280 nan 0.000 0.471 356 Q N 2.761 122.664 119.800 0.171 0.000 2.293 356 Q HA 0.383 4.723 4.340 0.000 0.000 0.261 356 Q C -0.522 175.547 176.000 0.114 0.000 0.960 356 Q CA -1.158 54.715 55.803 0.116 0.000 0.882 356 Q CB 2.151 30.959 28.738 0.115 0.000 1.275 356 Q HN 0.366 nan 8.270 nan 0.000 0.445 357 R N 3.727 124.271 120.500 0.073 0.000 2.202 357 R HA 0.379 4.720 4.340 0.000 0.000 0.334 357 R C -1.281 175.002 176.300 -0.028 0.000 1.036 357 R CA -0.032 56.104 56.100 0.059 0.000 0.878 357 R CB -0.071 30.287 30.300 0.097 0.000 1.067 357 R HN 0.655 nan 8.270 nan 0.000 0.457 358 L N 3.427 124.512 121.223 -0.230 0.000 2.304 358 L HA 0.607 4.947 4.340 0.000 0.000 0.268 358 L C -0.364 176.374 176.870 -0.220 0.000 1.010 358 L CA -0.920 53.692 54.840 -0.379 0.000 0.813 358 L CB 2.129 43.666 42.059 -0.871 0.000 1.315 358 L HN 0.512 nan 8.230 nan 0.000 0.445 359 W N 1.922 123.119 121.300 -0.172 0.000 2.883 359 W HA 0.322 4.982 4.660 0.000 0.000 0.335 359 W C -1.514 175.123 176.519 0.197 0.000 1.083 359 W CA -0.596 56.767 57.345 0.030 0.000 1.233 359 W CB 1.975 31.428 29.460 -0.010 0.000 1.412 359 W HN 0.435 nan 8.180 nan 0.000 0.490 360 N N 3.768 122.245 118.700 -0.372 0.000 2.457 360 N HA 0.042 4.783 4.740 0.000 0.000 0.250 360 N C -0.123 174.973 175.510 -0.690 0.000 0.982 360 N CA 0.178 53.029 53.050 -0.333 0.000 0.941 360 N CB 1.343 39.595 38.487 -0.392 0.000 1.120 360 N HN 0.452 nan 8.380 nan 0.000 0.505 361 D N 2.347 122.609 120.400 -0.231 0.000 2.349 361 D HA 0.059 4.699 4.640 0.000 0.000 0.224 361 D C 0.982 177.222 176.300 -0.100 0.000 1.029 361 D CA 0.715 54.676 54.000 -0.065 0.000 0.879 361 D CB 0.585 41.511 40.800 0.210 0.000 0.906 361 D HN 0.375 nan 8.370 nan 0.000 0.528 362 K N -0.970 119.345 120.400 -0.141 0.000 2.121 362 K HA 0.040 4.360 4.320 0.000 0.000 0.203 362 K C 2.093 178.646 176.600 -0.078 0.000 1.041 362 K CA 1.287 57.535 56.287 -0.066 0.000 0.969 362 K CB -0.848 31.632 32.500 -0.033 0.000 0.799 362 K HN 0.244 nan 8.250 nan 0.000 0.456 363 T N -0.437 113.978 114.554 -0.232 0.000 3.055 363 T HA 0.015 4.366 4.350 0.000 0.000 0.265 363 T C 0.395 174.843 174.700 -0.419 0.000 1.111 363 T CA 0.207 62.134 62.100 -0.288 0.000 1.118 363 T CB -0.035 68.557 68.868 -0.460 0.000 0.909 363 T HN 0.020 nan 8.240 nan 0.000 0.501 364 K N 2.088 122.118 120.400 -0.616 0.000 3.096 364 K HA -0.121 4.199 4.320 0.000 0.000 0.266 364 K C 0.046 176.052 176.600 -0.990 0.000 1.043 364 K CA 1.291 57.078 56.287 -0.833 0.000 0.758 364 K CB -2.858 29.296 32.500 -0.576 0.000 1.260 364 K HN 0.903 nan 8.250 nan 0.000 0.481 365 T N -2.418 111.372 114.554 -1.272 0.000 2.903 365 T HA 0.717 5.068 4.350 0.000 0.000 0.299 365 T C -2.883 171.343 174.700 -0.790 0.000 1.093 365 T CA -1.823 59.759 62.100 -0.863 0.000 1.002 365 T CB 3.778 72.365 68.868 -0.468 0.000 1.127 365 T HN -0.153 nan 8.240 nan 0.000 0.488 366 P HA 0.548 nan 4.420 nan 0.000 0.280 366 P C -1.646 175.658 177.300 0.007 0.000 1.272 366 P CA -0.516 62.549 63.100 -0.059 0.000 0.819 366 P CB 0.704 32.308 31.700 -0.160 0.000 1.122 367 Y N -2.287 118.034 120.300 0.036 0.000 2.624 367 Y HA 0.618 5.168 4.550 0.000 0.000 0.334 367 Y C -1.777 174.256 175.900 0.223 0.000 1.155 367 Y CA -1.430 56.723 58.100 0.088 0.000 1.046 367 Y CB 0.500 38.960 38.460 -0.000 0.000 1.316 367 Y HN 0.103 nan 8.280 nan 0.000 0.457 368 L N 2.948 124.298 121.223 0.212 0.000 2.331 368 L HA 0.539 4.879 4.340 0.000 0.000 0.275 368 L C -1.371 175.724 176.870 0.375 0.000 1.022 368 L CA -1.111 53.847 54.840 0.196 0.000 0.812 368 L CB 1.877 43.980 42.059 0.074 0.000 1.257 368 L HN 0.788 nan 8.230 nan 0.000 0.435 369 Y N 2.199 122.655 120.300 0.261 0.000 2.406 369 Y HA 0.343 4.893 4.550 0.000 0.000 0.340 369 Y C -0.945 175.119 175.900 0.272 0.000 0.975 369 Y CA -0.916 57.374 58.100 0.316 0.000 1.056 369 Y CB 1.194 39.818 38.460 0.274 0.000 1.210 369 Y HN 0.491 nan 8.280 nan 0.000 0.448 370 H N 6.159 125.041 119.070 -0.314 0.000 2.725 370 H HA 0.502 5.058 4.556 0.000 0.000 0.283 370 H C 0.240 175.092 175.328 -0.793 0.000 1.110 370 H CA 0.539 56.292 56.048 -0.491 0.000 1.289 370 H CB 1.457 30.983 29.762 -0.393 0.000 1.400 370 H HN 0.991 nan 8.280 nan 0.000 0.493 371 A N 3.723 125.912 122.820 -1.052 0.000 1.883 371 A HA -0.218 4.102 4.320 0.000 0.000 0.217 371 A C 2.216 179.631 177.584 -0.281 0.000 1.186 371 A CA 1.765 53.362 52.037 -0.733 0.000 0.624 371 A CB -0.401 18.381 19.000 -0.364 0.000 0.822 371 A HN 0.784 nan 8.150 nan 0.000 0.444 372 Q N -0.850 118.784 119.800 -0.275 0.000 2.084 372 Q HA -0.207 4.134 4.340 0.000 0.000 0.202 372 Q C 1.015 177.067 176.000 0.086 0.000 0.978 372 Q CA 1.888 57.651 55.803 -0.067 0.000 0.844 372 Q CB -0.072 28.616 28.738 -0.083 0.000 0.898 372 Q HN 0.662 nan 8.270 nan 0.000 0.426 373 N N -1.274 117.599 118.700 0.289 0.000 2.236 373 N HA 0.151 4.891 4.740 0.000 0.000 0.196 373 N C -0.184 175.362 175.510 0.060 0.000 1.114 373 N CA 0.830 53.943 53.050 0.105 0.000 0.859 373 N CB 1.311 39.745 38.487 -0.089 0.000 0.982 373 N HN 0.345 nan 8.380 nan 0.000 0.493 374 G N 0.881 109.725 108.800 0.074 0.000 2.289 374 G HA2 -0.236 3.724 3.960 0.000 0.000 0.280 374 G HA3 -0.236 3.724 3.960 0.000 0.000 0.280 374 G C -0.506 174.491 174.900 0.162 0.000 1.089 374 G CA -0.006 45.160 45.100 0.110 0.000 0.939 374 G HN 0.216 nan 8.290 nan 0.000 0.499 375 L N -1.087 120.264 121.223 0.213 0.000 2.330 375 L HA 0.913 5.253 4.340 0.000 0.000 0.271 375 L C -0.115 177.070 176.870 0.524 0.000 1.013 375 L CA -1.387 53.650 54.840 0.328 0.000 0.816 375 L CB 1.880 44.135 42.059 0.326 0.000 1.287 375 L HN 0.157 nan 8.230 nan 0.000 0.435 376 F N 1.804 121.969 119.950 0.358 0.000 2.561 376 F HA 0.712 5.239 4.527 0.000 0.000 0.313 376 F C -1.344 174.681 175.800 0.375 0.000 1.126 376 F CA -0.636 57.569 58.000 0.341 0.000 0.918 376 F CB 1.738 40.803 39.000 0.108 0.000 1.199 376 F HN 0.043 nan 8.300 nan 0.000 0.444 377 V N 4.419 124.089 119.914 -0.406 0.000 2.531 377 V HA 0.464 4.584 4.120 0.000 0.000 0.301 377 V C -0.395 175.438 176.094 -0.435 0.000 1.034 377 V CA -0.720 61.435 62.300 -0.241 0.000 0.865 377 V CB 1.705 33.473 31.823 -0.092 0.000 0.995 377 V HN 0.854 nan 8.190 nan 0.000 0.424 378 T N 5.247 119.678 114.554 -0.205 0.000 2.795 378 T HA 0.762 5.112 4.350 0.000 0.000 0.282 378 T C -0.920 173.907 174.700 0.212 0.000 0.980 378 T CA -0.170 61.922 62.100 -0.014 0.000 1.012 378 T CB 0.518 69.454 68.868 0.114 0.000 0.936 378 T HN 0.843 nan 8.240 nan 0.000 0.457 379 Y N 1.407 121.709 120.300 0.004 0.000 2.764 379 Y HA 0.785 5.336 4.550 0.000 0.000 0.331 379 Y C -1.638 174.248 175.900 -0.022 0.000 1.280 379 Y CA -1.600 56.487 58.100 -0.021 0.000 1.065 379 Y CB 0.475 38.921 38.460 -0.023 0.000 1.319 379 Y HN 0.495 nan 8.280 nan 0.000 0.453 380 D N 0.479 120.776 120.400 -0.171 0.000 2.419 380 D HA 0.539 5.179 4.640 0.000 0.000 0.234 380 D C -1.354 174.612 176.300 -0.557 0.000 1.014 380 D CA -0.069 53.701 54.000 -0.382 0.000 0.919 380 D CB 1.859 42.545 40.800 -0.191 0.000 1.366 380 D HN 0.733 nan 8.370 nan 0.000 0.490 381 D N -0.873 119.050 120.400 -0.795 0.000 2.812 381 D HA 0.387 5.027 4.640 0.000 0.000 0.318 381 D C 0.356 176.123 176.300 -0.890 0.000 1.234 381 D CA -0.761 52.755 54.000 -0.806 0.000 0.989 381 D CB 0.303 40.992 40.800 -0.184 0.000 1.442 381 D HN 0.281 nan 8.370 nan 0.000 0.537 382 A N -0.443 122.057 122.820 -0.533 0.000 2.024 382 A HA -0.190 4.130 4.320 0.000 0.000 0.220 382 A C 1.870 179.469 177.584 0.024 0.000 1.164 382 A CA 2.165 54.083 52.037 -0.199 0.000 0.643 382 A CB -0.910 18.023 19.000 -0.111 0.000 0.806 382 A HN 0.667 nan 8.150 nan 0.000 0.451 383 E N 0.186 120.368 120.200 -0.029 0.000 2.051 383 E HA -0.140 4.210 4.350 0.000 0.000 0.189 383 E C 2.251 179.043 176.600 0.320 0.000 0.979 383 E CA 1.268 57.697 56.400 0.048 0.000 0.803 383 E CB -0.096 29.524 29.700 -0.133 0.000 0.761 383 E HN 0.730 nan 8.360 nan 0.000 0.451 384 S N 0.066 115.983 115.700 0.362 0.000 2.399 384 S HA -0.133 4.337 4.470 0.000 0.000 0.231 384 S C 1.751 176.622 174.600 0.452 0.000 1.022 384 S CA 0.668 59.140 58.200 0.453 0.000 0.983 384 S CB -0.498 62.770 63.200 0.112 0.000 0.803 384 S HN 0.216 nan 8.310 nan 0.000 0.480 385 F N 2.342 122.386 119.950 0.156 0.000 2.451 385 F HA 0.229 4.756 4.527 0.000 0.000 0.299 385 F C 2.228 178.057 175.800 0.048 0.000 1.101 385 F CA -0.055 58.026 58.000 0.135 0.000 1.436 385 F CB -0.697 38.381 39.000 0.130 0.000 1.074 385 F HN 0.282 nan 8.300 nan 0.000 0.553 386 K N -0.887 119.505 120.400 -0.013 0.000 2.057 386 K HA -0.175 4.145 4.320 0.000 0.000 0.206 386 K C 1.925 178.332 176.600 -0.321 0.000 1.050 386 K CA 1.517 57.453 56.287 -0.585 0.000 0.935 386 K CB -0.387 31.672 32.500 -0.735 0.000 0.715 386 K HN 0.218 nan 8.250 nan 0.000 0.439 387 Y N 1.257 121.615 120.300 0.096 0.000 2.220 387 Y HA -0.107 4.443 4.550 0.000 0.000 0.291 387 Y C 2.124 178.120 175.900 0.161 0.000 1.129 387 Y CA 1.108 59.301 58.100 0.154 0.000 1.161 387 Y CB -0.063 38.507 38.460 0.183 0.000 0.997 387 Y HN -0.068 nan 8.280 nan 0.000 0.522 388 K N -0.107 120.462 120.400 0.281 0.000 2.097 388 K HA -0.105 4.215 4.320 0.000 0.000 0.205 388 K C 2.371 179.123 176.600 0.253 0.000 1.050 388 K CA 1.044 57.461 56.287 0.217 0.000 0.938 388 K CB -0.323 32.289 32.500 0.187 0.000 0.718 388 K HN 0.265 nan 8.250 nan 0.000 0.442 389 A N 1.771 124.691 122.820 0.167 0.000 1.930 389 A HA -0.205 4.116 4.320 0.000 0.000 0.217 389 A C 2.040 179.801 177.584 0.294 0.000 1.175 389 A CA 1.648 53.782 52.037 0.162 0.000 0.627 389 A CB -0.329 18.580 19.000 -0.152 0.000 0.815 389 A HN 0.219 nan 8.150 nan 0.000 0.443 390 K N -1.784 118.738 120.400 0.203 0.000 2.097 390 K HA -0.194 4.127 4.320 0.000 0.000 0.206 390 K C 1.869 178.633 176.600 0.274 0.000 1.049 390 K CA 1.642 58.057 56.287 0.212 0.000 0.933 390 K CB -0.408 32.177 32.500 0.142 0.000 0.717 390 K HN 0.507 nan 8.250 nan 0.000 0.442 391 Y N 1.167 121.583 120.300 0.194 0.000 2.145 391 Y HA -0.187 4.363 4.550 0.001 0.000 0.286 391 Y C 1.739 177.745 175.900 0.177 0.000 1.145 391 Y CA 1.796 60.011 58.100 0.190 0.000 1.148 391 Y CB -0.056 38.491 38.460 0.145 0.000 0.981 391 Y HN 0.017 nan 8.280 nan 0.000 0.507 392 I N 0.128 120.919 120.570 0.368 0.000 2.208 392 I HA -0.364 3.806 4.170 0.000 0.000 0.245 392 I C 2.307 178.517 176.117 0.155 0.000 1.097 392 I CA 1.722 63.184 61.300 0.269 0.000 1.363 392 I CB -0.365 37.866 38.000 0.386 0.000 1.051 392 I HN 0.216 nan 8.210 nan 0.000 0.413 393 K N 0.280 120.807 120.400 0.211 0.000 2.025 393 K HA -0.178 4.142 4.320 0.000 0.000 0.207 393 K C 2.178 178.817 176.600 0.066 0.000 1.049 393 K CA 1.298 57.670 56.287 0.142 0.000 0.933 393 K CB -0.199 32.424 32.500 0.204 0.000 0.714 393 K HN 0.362 nan 8.250 nan 0.000 0.438 394 Q N 0.439 120.268 119.800 0.048 0.000 2.084 394 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 394 Q C 1.832 177.793 176.000 -0.066 0.000 0.978 394 Q CA 1.096 56.897 55.803 -0.003 0.000 0.844 394 Q CB 0.114 28.851 28.738 -0.001 0.000 0.898 394 Q HN 0.238 nan 8.270 nan 0.000 0.426 395 Q N 0.103 119.810 119.800 -0.156 0.000 2.403 395 Q HA -0.003 4.337 4.340 0.000 0.000 0.203 395 Q C -0.224 175.742 176.000 -0.057 0.000 0.932 395 Q CA 0.267 55.967 55.803 -0.172 0.000 0.945 395 Q CB 0.516 29.027 28.738 -0.378 0.000 1.045 395 Q HN 0.404 nan 8.270 nan 0.000 0.511 396 Q N 0.422 120.209 119.800 -0.021 0.000 2.468 396 Q HA -0.190 4.151 4.340 0.000 0.000 0.289 396 Q C -0.619 175.393 176.000 0.021 0.000 1.299 396 Q CA 0.211 56.018 55.803 0.006 0.000 0.838 396 Q CB -1.788 26.955 28.738 0.009 0.000 1.195 396 Q HN 0.362 nan 8.270 nan 0.000 0.456 397 L N -1.761 119.479 121.223 0.028 0.000 2.468 397 L HA 0.266 4.607 4.340 0.000 0.000 0.254 397 L C 1.816 178.708 176.870 0.036 0.000 1.171 397 L CA 0.477 55.349 54.840 0.054 0.000 0.809 397 L CB 0.178 42.292 42.059 0.091 0.000 1.155 397 L HN 0.312 nan 8.230 nan 0.000 0.473 398 G N -0.751 108.091 108.800 0.070 0.000 2.484 398 G HA2 0.368 4.329 3.960 0.000 0.000 0.218 398 G HA3 0.368 4.329 3.960 0.000 0.000 0.218 398 G C 0.558 175.405 174.900 -0.088 0.000 1.130 398 G CA 0.746 45.900 45.100 0.090 0.000 0.784 398 G HN 0.960 nan 8.290 nan 0.000 0.543 399 G N -1.995 106.734 108.800 -0.117 0.000 2.373 399 G HA2 0.353 4.313 3.960 0.000 0.000 0.250 399 G HA3 0.353 4.313 3.960 0.000 0.000 0.250 399 G C -1.723 173.173 174.900 -0.006 0.000 1.304 399 G CA 0.105 45.085 45.100 -0.200 0.000 0.948 399 G HN 0.830 nan 8.290 nan 0.000 0.474 400 V N 1.249 121.202 119.914 0.064 0.000 2.876 400 V HA 0.871 4.991 4.120 0.000 0.000 0.312 400 V C -0.574 175.587 176.094 0.112 0.000 1.085 400 V CA -0.711 61.683 62.300 0.156 0.000 0.945 400 V CB 1.798 33.786 31.823 0.276 0.000 1.017 400 V HN 1.153 nan 8.190 nan 0.000 0.428 401 M N 6.797 126.483 119.600 0.143 0.000 2.591 401 M HA 0.693 5.174 4.480 0.000 0.000 0.306 401 M C -1.992 174.461 176.300 0.255 0.000 1.190 401 M CA -0.539 54.831 55.300 0.116 0.000 0.889 401 M CB 1.942 34.625 32.600 0.139 0.000 1.728 401 M HN 0.750 nan 8.290 nan 0.000 0.458 402 F N 1.709 121.701 119.950 0.071 0.000 2.631 402 F HA 0.757 5.284 4.527 0.000 0.000 0.308 402 F C -2.090 173.744 175.800 0.056 0.000 1.097 402 F CA -1.088 56.869 58.000 -0.072 0.000 0.952 402 F CB 1.198 39.837 39.000 -0.602 0.000 1.307 402 F HN 0.690 nan 8.300 nan 0.000 0.450 403 W N 5.038 126.369 121.300 0.051 0.000 2.475 403 W HA 0.561 5.221 4.660 0.000 0.000 0.320 403 W C -1.927 174.700 176.519 0.180 0.000 1.022 403 W CA -0.684 56.716 57.345 0.091 0.000 1.240 403 W CB 1.529 30.990 29.460 0.001 0.000 1.328 403 W HN 1.024 nan 8.180 nan 0.000 0.439 404 H N 2.004 120.885 119.070 -0.314 0.000 2.949 404 H HA 0.404 4.960 4.556 0.000 0.000 0.356 404 H C 0.507 175.716 175.328 -0.197 0.000 1.212 404 H CA -0.943 54.789 56.048 -0.526 0.000 1.136 404 H CB 1.336 30.313 29.762 -1.310 0.000 1.869 404 H HN 0.270 nan 8.280 nan 0.000 0.556 405 L N 0.417 121.665 121.223 0.043 0.000 2.081 405 L HA -0.116 4.224 4.340 0.000 0.000 0.212 405 L C 2.459 178.975 176.870 -0.590 0.000 1.080 405 L CA 1.866 56.752 54.840 0.076 0.000 0.754 405 L CB -0.597 41.655 42.059 0.321 0.000 0.893 405 L HN 1.032 nan 8.230 nan 0.000 0.433 406 G N -1.382 106.908 108.800 -0.850 0.000 2.559 406 G HA2 -0.186 3.774 3.960 0.000 0.000 0.216 406 G HA3 -0.186 3.774 3.960 0.000 0.000 0.216 406 G C 1.374 175.851 174.900 -0.705 0.000 1.126 406 G CA 0.145 44.449 45.100 -1.327 0.000 0.778 406 G HN 0.456 nan 8.290 nan 0.000 0.543 407 Q N -0.389 119.053 119.800 -0.597 0.000 2.356 407 Q HA 0.103 4.443 4.340 0.000 0.000 0.205 407 Q C 0.219 176.208 176.000 -0.018 0.000 0.901 407 Q CA -0.432 55.210 55.803 -0.268 0.000 0.938 407 Q CB 0.518 29.108 28.738 -0.246 0.000 1.081 407 Q HN 0.279 nan 8.270 nan 0.000 0.517 408 D N 1.632 122.058 120.400 0.044 0.000 2.360 408 D HA -0.022 4.619 4.640 0.000 0.000 0.242 408 D C -0.086 176.245 176.300 0.051 0.000 1.184 408 D CA -0.142 53.881 54.000 0.039 0.000 0.930 408 D CB 0.674 41.542 40.800 0.113 0.000 1.161 408 D HN 0.094 nan 8.370 nan 0.000 0.447 409 N N 0.903 119.662 118.700 0.098 0.000 2.294 409 N HA 0.030 4.770 4.740 0.000 0.000 0.248 409 N C 0.910 176.471 175.510 0.085 0.000 1.300 409 N CA -0.164 52.929 53.050 0.071 0.000 0.925 409 N CB 0.367 38.900 38.487 0.076 0.000 1.188 409 N HN 0.219 nan 8.380 nan 0.000 0.512 410 R N -0.483 120.062 120.500 0.076 0.000 2.127 410 R HA -0.036 4.304 4.340 0.000 0.000 0.238 410 R C 0.499 176.859 176.300 0.099 0.000 1.134 410 R CA 1.023 57.185 56.100 0.104 0.000 0.975 410 R CB -0.752 29.591 30.300 0.072 0.000 0.865 410 R HN 0.623 nan 8.270 nan 0.000 0.447 411 N N -0.290 118.450 118.700 0.068 0.000 2.461 411 N HA -0.015 4.725 4.740 0.000 0.000 0.188 411 N C 0.705 176.249 175.510 0.057 0.000 1.134 411 N CA 0.942 54.024 53.050 0.054 0.000 0.878 411 N CB 0.382 38.886 38.487 0.029 0.000 0.972 411 N HN 0.355 nan 8.380 nan 0.000 0.456 412 G N 1.461 110.305 108.800 0.074 0.000 2.246 412 G HA2 -0.254 3.706 3.960 0.000 0.000 0.273 412 G HA3 -0.254 3.706 3.960 0.000 0.000 0.273 412 G C 0.437 175.328 174.900 -0.014 0.000 1.055 412 G CA 0.389 45.530 45.100 0.070 0.000 0.851 412 G HN 0.215 nan 8.290 nan 0.000 0.500 413 D N -0.130 120.239 120.400 -0.052 0.000 2.144 413 D HA -0.058 4.582 4.640 0.000 0.000 0.199 413 D C 2.735 178.894 176.300 -0.236 0.000 0.984 413 D CA 1.012 54.942 54.000 -0.116 0.000 0.834 413 D CB -0.025 40.728 40.800 -0.078 0.000 0.955 413 D HN 0.551 nan 8.370 nan 0.000 0.465 414 L N 0.122 121.115 121.223 -0.384 0.000 2.056 414 L HA -0.135 4.205 4.340 0.000 0.000 0.207 414 L C 2.422 179.129 176.870 -0.272 0.000 1.078 414 L CA 0.499 55.026 54.840 -0.523 0.000 0.749 414 L CB -0.398 40.920 42.059 -1.235 0.000 0.901 414 L HN 0.086 nan 8.230 nan 0.000 0.433 415 L N 0.449 121.574 121.223 -0.164 0.000 2.083 415 L HA -0.124 4.216 4.340 0.000 0.000 0.209 415 L C 2.599 179.417 176.870 -0.086 0.000 1.083 415 L CA 1.969 56.782 54.840 -0.045 0.000 0.752 415 L CB -0.702 41.426 42.059 0.115 0.000 0.899 415 L HN 0.129 nan 8.230 nan 0.000 0.433 416 A N -0.423 122.330 122.820 -0.113 0.000 1.933 416 A HA -0.061 4.260 4.320 0.000 0.000 0.218 416 A C 2.461 179.861 177.584 -0.305 0.000 1.175 416 A CA 1.707 53.657 52.037 -0.145 0.000 0.628 416 A CB -1.115 17.818 19.000 -0.112 0.000 0.814 416 A HN 0.596 nan 8.150 nan 0.000 0.444 417 A N -0.060 122.516 122.820 -0.408 0.000 1.877 417 A HA -0.055 4.266 4.320 0.000 0.000 0.216 417 A C 2.171 179.068 177.584 -1.145 0.000 1.186 417 A CA 1.512 53.056 52.037 -0.823 0.000 0.620 417 A CB -0.680 17.983 19.000 -0.561 0.000 0.822 417 A HN 0.467 nan 8.150 nan 0.000 0.443 418 L N -0.512 120.348 121.223 -0.605 0.000 2.012 418 L HA -0.241 4.099 4.340 0.000 0.000 0.210 418 L C 2.467 179.053 176.870 -0.473 0.000 1.073 418 L CA 1.977 56.489 54.840 -0.545 0.000 0.748 418 L CB -0.672 41.221 42.059 -0.276 0.000 0.891 418 L HN 0.545 nan 8.230 nan 0.000 0.431 419 D N -0.045 120.219 120.400 -0.227 0.000 2.117 419 D HA -0.246 4.394 4.640 0.000 0.000 0.197 419 D C 2.302 178.534 176.300 -0.114 0.000 0.987 419 D CA 1.260 55.234 54.000 -0.044 0.000 0.829 419 D CB 0.027 40.825 40.800 -0.004 0.000 0.961 419 D HN 0.089 nan 8.370 nan 0.000 0.460 420 R N -1.092 119.225 120.500 -0.306 0.000 2.080 420 R HA -0.207 4.133 4.340 0.000 0.000 0.236 420 R C 1.982 178.143 176.300 -0.233 0.000 1.137 420 R CA 1.503 57.432 56.100 -0.285 0.000 0.943 420 R CB -0.542 29.480 30.300 -0.463 0.000 0.846 420 R HN 0.267 nan 8.270 nan 0.000 0.431 421 Y N -0.385 119.608 120.300 -0.512 0.000 2.333 421 Y HA -0.133 4.418 4.550 0.000 0.000 0.290 421 Y C 1.895 177.724 175.900 -0.119 0.000 1.144 421 Y CA 0.606 58.368 58.100 -0.563 0.000 1.228 421 Y CB -0.444 37.619 38.460 -0.662 0.000 0.985 421 Y HN 0.079 nan 8.280 nan 0.000 0.542 422 F N -0.677 119.360 119.950 0.146 0.000 2.374 422 F HA 0.059 4.586 4.527 0.000 0.000 0.291 422 F C 1.618 177.490 175.800 0.121 0.000 1.084 422 F CA 0.586 58.667 58.000 0.135 0.000 1.413 422 F CB -0.289 38.766 39.000 0.090 0.000 1.099 422 F HN 0.038 nan 8.300 nan 0.000 0.534 423 N N -0.560 118.308 118.700 0.280 0.000 2.193 423 N HA 0.231 4.971 4.740 0.000 0.000 0.210 423 N C 0.374 175.973 175.510 0.149 0.000 1.215 423 N CA 0.259 53.424 53.050 0.192 0.000 0.901 423 N CB 0.540 39.122 38.487 0.158 0.000 1.060 423 N HN -0.007 nan 8.380 nan 0.000 0.508 424 A N 0.892 123.802 122.820 0.149 0.000 2.450 424 A HA 0.567 4.887 4.320 0.000 0.000 0.255 424 A C 1.340 179.019 177.584 0.158 0.000 1.096 424 A CA 0.056 52.175 52.037 0.135 0.000 0.778 424 A CB 0.477 19.552 19.000 0.125 0.000 1.031 424 A HN 0.228 nan 8.150 nan 0.000 0.494 425 A N 2.146 125.033 122.820 0.113 0.000 2.067 425 A HA -0.044 4.276 4.320 0.000 0.000 0.219 425 A C 1.212 178.852 177.584 0.093 0.000 1.158 425 A CA 1.625 53.719 52.037 0.094 0.000 0.661 425 A CB -0.329 18.712 19.000 0.068 0.000 0.801 425 A HN 0.853 nan 8.150 nan 0.000 0.452 426 D N -2.652 117.814 120.400 0.109 0.000 2.358 426 D HA 0.103 4.743 4.640 0.000 0.000 0.224 426 D C -0.091 176.299 176.300 0.151 0.000 1.123 426 D CA -0.326 53.735 54.000 0.100 0.000 0.833 426 D CB -0.503 40.345 40.800 0.079 0.000 0.946 426 D HN 0.403 nan 8.370 nan 0.000 0.505 427 Y N 1.056 121.388 120.300 0.054 0.000 2.352 427 Y HA 0.463 5.013 4.550 0.001 0.000 0.339 427 Y C -1.497 174.431 175.900 0.046 0.000 0.992 427 Y CA -1.557 56.581 58.100 0.064 0.000 1.100 427 Y CB 1.689 40.222 38.460 0.122 0.000 1.192 427 Y HN -0.196 nan 8.280 nan 0.000 0.458 428 D N 4.703 124.726 120.400 -0.629 0.000 2.421 428 D HA 0.158 4.798 4.640 0.000 0.000 0.254 428 D C -0.738 175.178 176.300 -0.640 0.000 1.238 428 D CA -0.558 53.164 54.000 -0.464 0.000 0.919 428 D CB 0.752 41.421 40.800 -0.218 0.000 1.152 428 D HN 0.703 nan 8.370 nan 0.000 0.552 429 D N 1.275 121.322 120.400 -0.587 0.000 2.358 429 D HA -0.038 4.603 4.640 0.000 0.000 0.224 429 D C 1.276 177.473 176.300 -0.172 0.000 1.123 429 D CA -0.001 53.759 54.000 -0.400 0.000 0.833 429 D CB -0.047 40.601 40.800 -0.254 0.000 0.946 429 D HN 0.189 nan 8.370 nan 0.000 0.505 430 S N 0.145 115.763 115.700 -0.135 0.000 2.420 430 S HA -0.245 4.226 4.470 0.000 0.000 0.237 430 S C 1.483 176.057 174.600 -0.043 0.000 1.023 430 S CA 0.849 59.013 58.200 -0.061 0.000 0.991 430 S CB -0.335 62.836 63.200 -0.048 0.000 0.792 430 S HN 0.205 nan 8.310 nan 0.000 0.488 431 Q N 0.303 120.064 119.800 -0.064 0.000 2.219 431 Q HA 0.413 4.753 4.340 0.000 0.000 0.209 431 Q C -0.186 175.802 176.000 -0.019 0.000 0.854 431 Q CA -0.263 55.520 55.803 -0.033 0.000 0.960 431 Q CB 0.009 28.725 28.738 -0.037 0.000 1.116 431 Q HN 0.523 nan 8.270 nan 0.000 0.500 432 L N 2.788 123.986 121.223 -0.041 0.000 2.477 432 L HA 0.086 4.426 4.340 0.000 0.000 0.272 432 L C -0.007 176.919 176.870 0.094 0.000 1.157 432 L CA 0.363 55.190 54.840 -0.021 0.000 0.889 432 L CB 0.426 42.406 42.059 -0.132 0.000 1.158 432 L HN -0.063 nan 8.230 nan 0.000 0.473 433 D N 5.669 126.171 120.400 0.170 0.000 2.336 433 D HA 0.026 4.666 4.640 0.000 0.000 0.249 433 D C 0.871 177.374 176.300 0.337 0.000 1.213 433 D CA -0.344 53.776 54.000 0.202 0.000 0.870 433 D CB 1.003 41.897 40.800 0.157 0.000 1.076 433 D HN 0.577 nan 8.370 nan 0.000 0.483 434 M N 2.528 122.304 119.600 0.293 0.000 2.630 434 M HA 0.100 4.581 4.480 0.000 0.000 0.254 434 M C 1.282 177.709 176.300 0.212 0.000 1.092 434 M CA 0.396 55.924 55.300 0.380 0.000 1.087 434 M CB -1.351 31.468 32.600 0.364 0.000 1.453 434 M HN 0.649 nan 8.290 nan 0.000 0.509 435 G N 0.618 109.487 108.800 0.114 0.000 2.796 435 G HA2 -0.209 3.751 3.960 0.000 0.000 0.571 435 G HA3 -0.209 3.751 3.960 0.000 0.000 0.571 435 G C 0.216 175.077 174.900 -0.066 0.000 1.370 435 G CA 0.026 45.147 45.100 0.034 0.000 0.856 435 G HN 0.398 nan 8.290 nan 0.000 0.538 436 T N -1.532 112.987 114.554 -0.058 0.000 3.174 436 T HA 0.598 4.948 4.350 0.000 0.000 0.269 436 T C 1.312 175.954 174.700 -0.096 0.000 1.017 436 T CA 1.075 63.123 62.100 -0.086 0.000 0.899 436 T CB 0.417 69.262 68.868 -0.038 0.000 1.077 436 T HN 1.958 nan 8.240 nan 0.000 0.552 437 G N 1.586 110.326 108.800 -0.101 0.000 2.664 437 G HA2 0.467 4.427 3.960 0.000 0.000 0.242 437 G HA3 0.467 4.427 3.960 0.000 0.000 0.242 437 G C -0.056 174.808 174.900 -0.060 0.000 1.225 437 G CA -0.835 44.251 45.100 -0.023 0.000 0.849 437 G HN 0.583 nan 8.290 nan 0.000 0.581 438 L N 0.706 121.951 121.223 0.037 0.000 2.462 438 L HA 0.236 4.577 4.340 0.000 0.000 0.272 438 L C 0.801 177.756 176.870 0.142 0.000 1.166 438 L CA -0.394 54.478 54.840 0.054 0.000 0.880 438 L CB 0.318 42.418 42.059 0.069 0.000 1.142 438 L HN 0.361 nan 8.230 nan 0.000 0.473 439 R N 1.904 122.457 120.500 0.087 0.000 2.500 439 R HA 0.271 4.611 4.340 0.000 0.000 0.277 439 R C -0.805 175.641 176.300 0.243 0.000 1.026 439 R CA -0.542 55.681 56.100 0.205 0.000 1.058 439 R CB 0.597 30.955 30.300 0.096 0.000 1.078 439 R HN 0.310 nan 8.270 nan 0.000 0.509 440 Y N 0.918 121.343 120.300 0.209 0.000 2.393 440 Y HA 0.097 4.648 4.550 0.000 0.000 0.338 440 Y C 0.761 176.731 175.900 0.117 0.000 1.029 440 Y CA 0.332 58.537 58.100 0.174 0.000 1.239 440 Y CB 0.887 39.468 38.460 0.202 0.000 1.170 440 Y HN 0.716 nan 8.280 nan 0.000 0.515 441 T N 1.609 115.985 114.554 -0.297 0.000 3.174 441 T HA 0.334 4.684 4.350 0.000 0.000 0.269 441 T C 0.746 175.285 174.700 -0.268 0.000 1.017 441 T CA -0.046 61.941 62.100 -0.187 0.000 0.899 441 T CB -0.397 68.394 68.868 -0.128 0.000 1.077 441 T HN 0.784 nan 8.240 nan 0.000 0.552 442 G N 0.987 109.492 108.800 -0.491 0.000 2.491 442 G HA2 0.478 4.438 3.960 0.000 0.000 0.238 442 G HA3 0.478 4.438 3.960 0.000 0.000 0.238 442 G C -0.722 174.119 174.900 -0.098 0.000 1.277 442 G CA -0.253 44.673 45.100 -0.290 0.000 0.851 442 G HN 0.405 nan 8.290 nan 0.000 0.573 443 V N 1.142 120.960 119.914 -0.160 0.000 2.588 443 V HA 0.723 4.843 4.120 0.000 0.000 0.304 443 V C 0.715 176.666 176.094 -0.239 0.000 1.042 443 V CA -0.398 61.818 62.300 -0.141 0.000 0.877 443 V CB 1.747 33.483 31.823 -0.145 0.000 0.996 443 V HN 1.034 nan 8.190 nan 0.000 0.425 444 G N 3.741 112.413 108.800 -0.213 0.000 2.388 444 G HA2 0.574 4.534 3.960 0.000 0.000 0.330 444 G HA3 0.574 4.534 3.960 0.000 0.000 0.330 444 G C -2.044 172.591 174.900 -0.442 0.000 1.142 444 G CA -1.624 43.252 45.100 -0.373 0.000 0.908 444 G HN 0.575 nan 8.290 nan 0.000 0.473 445 P HA -0.072 nan 4.420 nan 0.000 0.224 445 P C 1.674 178.760 177.300 -0.355 0.000 1.142 445 P CA 1.406 64.141 63.100 -0.608 0.000 0.778 445 P CB 0.385 31.553 31.700 -0.886 0.000 0.764 446 G N -0.532 108.117 108.800 -0.251 0.000 2.662 446 G HA2 -0.106 3.855 3.960 0.000 0.000 0.212 446 G HA3 -0.106 3.855 3.960 0.000 0.000 0.212 446 G C 0.797 175.674 174.900 -0.038 0.000 1.141 446 G CA 0.039 45.095 45.100 -0.072 0.000 0.797 446 G HN 0.359 nan 8.290 nan 0.000 0.531 447 N N 0.549 119.210 118.700 -0.065 0.000 2.644 447 N HA 0.201 4.941 4.740 0.000 0.000 0.313 447 N C -0.474 175.004 175.510 -0.053 0.000 1.863 447 N CA -0.301 52.730 53.050 -0.031 0.000 0.918 447 N CB -0.091 38.399 38.487 0.006 0.000 1.320 447 N HN 0.047 nan 8.380 nan 0.000 0.490 448 L N 1.078 122.261 121.223 -0.067 0.000 2.436 448 L HA 0.418 4.758 4.340 0.000 0.000 0.265 448 L C -1.615 175.224 176.870 -0.051 0.000 1.168 448 L CA -1.511 53.282 54.840 -0.077 0.000 0.815 448 L CB 0.412 42.419 42.059 -0.086 0.000 1.109 448 L HN 0.160 nan 8.230 nan 0.000 0.462 449 P HA 0.135 nan 4.420 nan 0.000 0.276 449 P C -0.642 176.632 177.300 -0.044 0.000 1.261 449 P CA -0.517 62.559 63.100 -0.040 0.000 0.800 449 P CB 0.928 32.607 31.700 -0.036 0.000 1.066 450 I N 1.435 121.982 120.570 -0.038 0.000 2.588 450 I HA 0.195 4.365 4.170 0.000 0.000 0.283 450 I C 0.969 177.066 176.117 -0.035 0.000 1.119 450 I CA 0.533 61.808 61.300 -0.043 0.000 1.419 450 I CB -0.368 37.610 38.000 -0.036 0.000 1.394 450 I HN 0.394 nan 8.210 nan 0.000 0.562 451 M N 4.278 123.857 119.600 -0.035 0.000 2.667 451 M HA 0.418 4.898 4.480 0.000 0.000 0.286 451 M C -0.732 175.561 176.300 -0.011 0.000 1.270 451 M CA -0.604 54.683 55.300 -0.020 0.000 0.826 451 M CB 2.843 35.430 32.600 -0.021 0.000 1.743 451 M HN 0.407 nan 8.290 nan 0.000 0.460 452 T N 1.038 115.595 114.554 0.004 0.000 2.886 452 T HA 0.864 5.214 4.350 0.000 0.000 0.292 452 T C -1.356 173.364 174.700 0.034 0.000 1.012 452 T CA -0.692 61.417 62.100 0.015 0.000 0.982 452 T CB 1.806 70.681 68.868 0.011 0.000 1.018 452 T HN 0.759 nan 8.240 nan 0.000 0.451 453 A N 3.597 126.447 122.820 0.049 0.000 2.610 453 A HA 0.886 5.206 4.320 0.000 0.000 0.291 453 A C -3.143 174.490 177.584 0.081 0.000 1.086 453 A CA -1.641 50.438 52.037 0.071 0.000 0.677 453 A CB 0.658 19.713 19.000 0.092 0.000 1.278 453 A HN 0.574 nan 8.150 nan 0.000 0.414 454 P HA 0.420 nan 4.420 nan 0.000 0.269 454 P C -0.014 177.357 177.300 0.119 0.000 1.209 454 P CA 0.232 63.390 63.100 0.096 0.000 0.776 454 P CB 0.697 32.461 31.700 0.107 0.000 0.876 455 A N 3.002 125.888 122.820 0.109 0.000 2.483 455 A HA 0.088 4.408 4.320 0.000 0.000 0.238 455 A C -0.285 177.395 177.584 0.161 0.000 1.070 455 A CA -0.086 52.035 52.037 0.141 0.000 0.770 455 A CB -0.578 18.490 19.000 0.113 0.000 1.008 455 A HN 0.577 nan 8.150 nan 0.000 0.497 456 Y N 2.350 122.685 120.300 0.059 0.000 2.610 456 Y HA 0.332 4.883 4.550 0.000 0.000 0.332 456 Y C -0.176 175.767 175.900 0.071 0.000 1.201 456 Y CA 0.314 58.394 58.100 -0.034 0.000 1.465 456 Y CB 0.487 38.726 38.460 -0.369 0.000 1.283 456 Y HN 0.364 nan 8.280 nan 0.000 0.563 457 V N 9.450 129.016 119.914 -0.580 0.000 2.334 457 V HA 0.300 4.420 4.120 0.000 0.000 0.281 457 V C -2.154 173.478 176.094 -0.769 0.000 1.016 457 V CA -2.121 59.896 62.300 -0.471 0.000 0.832 457 V CB 1.035 32.738 31.823 -0.199 0.000 0.999 457 V HN 0.745 nan 8.190 nan 0.000 0.439 458 P HA 0.198 nan 4.420 nan 0.000 0.267 458 P C 1.054 178.263 177.300 -0.152 0.000 1.200 458 P CA 1.223 64.150 63.100 -0.288 0.000 0.772 458 P CB 0.623 32.300 31.700 -0.038 0.000 0.855 459 G N 0.771 109.547 108.800 -0.040 0.000 2.184 459 G HA2 -0.213 3.747 3.960 0.000 0.000 0.264 459 G HA3 -0.213 3.747 3.960 0.000 0.000 0.264 459 G C 0.268 175.129 174.900 -0.064 0.000 0.975 459 G CA 0.272 45.356 45.100 -0.027 0.000 0.642 459 G HN 0.627 nan 8.290 nan 0.000 0.536 460 T N 1.128 115.610 114.554 -0.119 0.000 2.928 460 T HA 0.605 4.956 4.350 0.000 0.000 0.284 460 T C 0.180 174.765 174.700 -0.192 0.000 1.008 460 T CA 0.351 62.304 62.100 -0.246 0.000 1.057 460 T CB 1.663 70.231 68.868 -0.500 0.000 1.018 460 T HN 0.169 nan 8.240 nan 0.000 0.493 461 T N 2.846 117.250 114.554 -0.251 0.000 2.779 461 T HA 0.486 4.836 4.350 0.000 0.000 0.280 461 T C -1.021 173.517 174.700 -0.270 0.000 0.987 461 T CA -0.369 61.666 62.100 -0.109 0.000 0.966 461 T CB 0.227 69.088 68.868 -0.012 0.000 0.933 461 T HN 0.381 nan 8.240 nan 0.000 0.442 462 Y N 1.279 121.578 120.300 -0.003 0.000 2.420 462 Y HA 0.620 5.170 4.550 0.000 0.000 0.334 462 Y C 0.665 176.457 175.900 -0.180 0.000 1.094 462 Y CA -1.023 57.040 58.100 -0.061 0.000 1.126 462 Y CB 1.113 39.564 38.460 -0.015 0.000 1.217 462 Y HN 0.775 nan 8.280 nan 0.000 0.462 463 A N 2.136 124.940 122.820 -0.026 0.000 2.272 463 A HA 0.270 4.590 4.320 0.000 0.000 0.275 463 A C -0.179 177.335 177.584 -0.117 0.000 1.096 463 A CA -0.717 51.242 52.037 -0.131 0.000 0.822 463 A CB 0.328 19.262 19.000 -0.109 0.000 1.088 463 A HN 0.803 nan 8.150 nan 0.000 0.495 464 Q N -0.460 119.268 119.800 -0.120 0.000 2.330 464 Q HA 0.361 4.701 4.340 0.000 0.000 0.279 464 Q C 1.112 177.065 176.000 -0.078 0.000 1.024 464 Q CA 1.279 57.020 55.803 -0.104 0.000 0.900 464 Q CB 0.151 28.870 28.738 -0.031 0.000 1.221 464 Q HN 1.821 nan 8.270 nan 0.000 0.396 465 G N 1.975 110.719 108.800 -0.094 0.000 2.199 465 G HA2 -0.317 3.643 3.960 0.000 0.000 0.254 465 G HA3 -0.317 3.643 3.960 0.000 0.000 0.254 465 G C 0.184 175.075 174.900 -0.014 0.000 0.982 465 G CA 0.043 45.117 45.100 -0.043 0.000 0.632 465 G HN 1.033 nan 8.290 nan 0.000 0.529 466 A N -0.154 122.653 122.820 -0.021 0.000 2.445 466 A HA 0.670 4.990 4.320 0.000 0.000 0.242 466 A C 0.267 177.915 177.584 0.107 0.000 1.075 466 A CA 0.451 52.532 52.037 0.072 0.000 0.777 466 A CB 0.356 19.465 19.000 0.182 0.000 1.013 466 A HN 0.975 nan 8.150 nan 0.000 0.493 467 L N 2.289 123.601 121.223 0.147 0.000 2.341 467 L HA 0.673 5.014 4.340 0.000 0.000 0.278 467 L C -0.229 176.745 176.870 0.173 0.000 1.005 467 L CA -0.674 54.270 54.840 0.173 0.000 0.818 467 L CB 1.966 44.094 42.059 0.114 0.000 1.259 467 L HN 0.700 nan 8.230 nan 0.000 0.418 468 V N -0.534 119.491 119.914 0.185 0.000 3.114 468 V HA 0.818 4.938 4.120 0.000 0.000 0.308 468 V C -0.376 175.830 176.094 0.188 0.000 1.168 468 V CA -0.718 61.657 62.300 0.124 0.000 1.015 468 V CB 2.041 33.841 31.823 -0.037 0.000 1.050 468 V HN 0.730 nan 8.190 nan 0.000 0.433 469 S N 1.961 117.774 115.700 0.189 0.000 2.489 469 S HA 0.848 5.319 4.470 0.000 0.000 0.291 469 S C -1.082 173.715 174.600 0.328 0.000 1.151 469 S CA -0.527 57.812 58.200 0.232 0.000 1.082 469 S CB 1.220 64.500 63.200 0.133 0.000 1.019 469 S HN 1.647 nan 8.310 nan 0.000 0.492 470 Y N 1.324 121.754 120.300 0.216 0.000 2.376 470 Y HA 0.250 4.800 4.550 0.000 0.000 0.321 470 Y C -0.571 175.476 175.900 0.244 0.000 1.189 470 Y CA -0.497 57.668 58.100 0.107 0.000 1.069 470 Y CB 1.216 39.527 38.460 -0.247 0.000 1.292 470 Y HN 0.952 nan 8.280 nan 0.000 0.430 471 Q N 4.432 124.027 119.800 -0.342 0.000 2.423 471 Q HA -0.250 4.090 4.340 0.000 0.000 0.332 471 Q C 1.074 177.067 176.000 -0.011 0.000 1.355 471 Q CA 1.487 57.155 55.803 -0.224 0.000 0.947 471 Q CB -1.511 27.026 28.738 -0.335 0.000 1.189 471 Q HN 1.515 nan 8.270 nan 0.000 0.418 472 G N -2.063 106.683 108.800 -0.091 0.000 2.199 472 G HA2 -0.332 3.628 3.960 0.000 0.000 0.254 472 G HA3 -0.332 3.628 3.960 0.000 0.000 0.254 472 G C -0.297 174.268 174.900 -0.558 0.000 0.982 472 G CA 0.397 45.311 45.100 -0.310 0.000 0.632 472 G HN 0.424 nan 8.290 nan 0.000 0.529 473 Y N -1.367 118.915 120.300 -0.030 0.000 2.634 473 Y HA 0.664 5.215 4.550 0.001 0.000 0.340 473 Y C 0.210 175.989 175.900 -0.202 0.000 1.058 473 Y CA -1.181 56.771 58.100 -0.247 0.000 1.081 473 Y CB 2.055 40.111 38.460 -0.673 0.000 1.295 473 Y HN 0.092 nan 8.280 nan 0.000 0.487 474 V N 1.236 121.078 119.914 -0.119 0.000 2.435 474 V HA 0.318 4.438 4.120 0.000 0.000 0.290 474 V C -1.279 174.704 176.094 -0.185 0.000 1.030 474 V CA -0.837 61.448 62.300 -0.025 0.000 0.881 474 V CB 0.689 32.510 31.823 -0.004 0.000 0.983 474 V HN 0.638 nan 8.190 nan 0.000 0.445 475 W N 2.704 124.023 121.300 0.032 0.000 2.761 475 W HA 0.727 5.387 4.660 0.000 0.000 0.340 475 W C -0.134 176.508 176.519 0.205 0.000 1.072 475 W CA -0.562 56.829 57.345 0.077 0.000 1.215 475 W CB 1.418 30.854 29.460 -0.039 0.000 1.420 475 W HN 0.424 nan 8.180 nan 0.000 0.519 476 Q N 1.190 121.245 119.800 0.425 0.000 2.365 476 Q HA 0.497 4.837 4.340 0.000 0.000 0.269 476 Q C -0.189 175.839 176.000 0.047 0.000 1.061 476 Q CA -0.613 55.328 55.803 0.230 0.000 0.816 476 Q CB 1.974 30.765 28.738 0.088 0.000 1.325 476 Q HN 0.551 nan 8.270 nan 0.000 0.446 477 T N 0.391 114.770 114.554 -0.292 0.000 2.907 477 T HA 0.294 4.644 4.350 0.000 0.000 0.298 477 T C 0.417 174.874 174.700 -0.404 0.000 1.017 477 T CA -0.449 61.232 62.100 -0.697 0.000 1.118 477 T CB 1.113 69.441 68.868 -0.900 0.000 0.948 477 T HN 0.691 nan 8.240 nan 0.000 0.531 478 K N 1.200 121.300 120.400 -0.500 0.000 2.361 478 K HA 0.249 4.570 4.320 0.000 0.000 0.194 478 K C -0.218 176.427 176.600 0.075 0.000 1.032 478 K CA -0.137 56.053 56.287 -0.162 0.000 1.048 478 K CB 0.291 32.766 32.500 -0.042 0.000 0.842 478 K HN 0.848 nan 8.250 nan 0.000 0.526 479 W N -1.589 119.626 121.300 -0.142 0.000 2.874 479 W HA 0.620 5.280 4.660 0.001 0.000 0.403 479 W C -0.425 176.018 176.519 -0.127 0.000 1.144 479 W CA -1.431 55.853 57.345 -0.102 0.000 1.175 479 W CB -0.094 29.326 29.460 -0.065 0.000 1.483 479 W HN -0.179 nan 8.180 nan 0.000 0.591 480 G N -1.136 107.801 108.800 0.230 0.000 2.531 480 G HA2 0.487 4.447 3.960 0.000 0.000 0.313 480 G HA3 0.487 4.447 3.960 0.000 0.000 0.313 480 G C -1.256 173.734 174.900 0.149 0.000 1.238 480 G CA -0.859 44.258 45.100 0.028 0.000 0.994 480 G HN 1.033 nan 8.290 nan 0.000 0.493 481 Y N -2.170 118.158 120.300 0.047 0.000 3.234 481 Y HA -0.161 4.389 4.550 0.001 0.000 0.207 481 Y C 0.466 176.397 175.900 0.051 0.000 1.316 481 Y CA -0.299 57.832 58.100 0.052 0.000 1.309 481 Y CB -1.617 36.884 38.460 0.069 0.000 1.408 481 Y HN 0.192 nan 8.280 nan 0.000 0.544 482 I N 1.144 121.750 120.570 0.061 0.000 2.337 482 I HA 0.092 4.263 4.170 0.000 0.000 0.291 482 I C 1.380 177.615 176.117 0.198 0.000 1.046 482 I CA 0.657 61.965 61.300 0.014 0.000 1.324 482 I CB 1.007 38.810 38.000 -0.328 0.000 1.409 482 I HN 0.416 nan 8.210 nan 0.000 0.494 483 T N 0.309 114.984 114.554 0.201 0.000 3.040 483 T HA 0.135 4.486 4.350 0.000 0.000 0.266 483 T C 0.680 175.530 174.700 0.250 0.000 1.005 483 T CA -0.328 61.909 62.100 0.228 0.000 0.906 483 T CB 0.028 68.988 68.868 0.154 0.000 1.082 483 T HN 0.536 nan 8.240 nan 0.000 0.531 484 S N 1.176 117.024 115.700 0.247 0.000 2.646 484 S HA 0.809 5.280 4.470 0.000 0.000 0.276 484 S C 0.239 174.901 174.600 0.103 0.000 1.222 484 S CA -0.765 57.538 58.200 0.172 0.000 1.014 484 S CB 1.238 64.519 63.200 0.135 0.000 0.991 484 S HN 0.597 nan 8.310 nan 0.000 0.533 485 A N 1.845 124.502 122.820 -0.272 0.000 2.340 485 A HA 0.670 4.990 4.320 0.000 0.000 0.268 485 A C -2.626 174.153 177.584 -1.342 0.000 1.100 485 A CA -1.964 49.405 52.037 -1.114 0.000 0.803 485 A CB -0.655 17.809 19.000 -0.892 0.000 1.043 485 A HN 0.662 nan 8.150 nan 0.000 0.488 486 P HA 0.261 nan 4.420 nan 0.000 0.266 486 P C 1.122 177.475 177.300 -1.578 0.000 1.195 486 P CA 1.908 63.533 63.100 -2.457 0.000 0.768 486 P CB 0.755 30.613 31.700 -3.071 0.000 0.838 487 G N 2.324 110.350 108.800 -1.290 0.000 2.363 487 G HA2 -0.317 3.643 3.960 0.000 0.000 0.238 487 G HA3 -0.317 3.643 3.960 0.000 0.000 0.238 487 G C 1.108 175.868 174.900 -0.232 0.000 1.062 487 G CA 0.517 45.262 45.100 -0.593 0.000 0.629 487 G HN 0.667 nan 8.290 nan 0.000 0.514 488 S N 1.116 116.651 115.700 -0.275 0.000 2.701 488 S HA 0.441 4.911 4.470 0.000 0.000 0.220 488 S C 0.343 174.922 174.600 -0.036 0.000 0.954 488 S CA 1.093 59.220 58.200 -0.121 0.000 0.936 488 S CB -0.121 62.998 63.200 -0.135 0.000 0.777 488 S HN 1.575 nan 8.310 nan 0.000 0.518 489 D N -0.826 119.573 120.400 -0.002 0.000 2.926 489 D HA -0.001 4.640 4.640 0.000 0.000 0.282 489 D C 0.426 176.789 176.300 0.105 0.000 1.201 489 D CA 0.109 54.152 54.000 0.073 0.000 0.735 489 D CB 0.472 41.326 40.800 0.090 0.000 1.257 489 D HN 0.126 nan 8.370 nan 0.000 0.428 490 S N -0.712 115.077 115.700 0.147 0.000 2.507 490 S HA 0.044 4.514 4.470 0.000 0.000 0.235 490 S C 1.823 176.433 174.600 0.018 0.000 0.988 490 S CA 1.124 59.438 58.200 0.190 0.000 0.944 490 S CB -0.479 62.921 63.200 0.332 0.000 0.762 490 S HN 0.772 nan 8.310 nan 0.000 0.526 491 A N -0.012 122.641 122.820 -0.278 0.000 2.119 491 A HA 0.269 4.589 4.320 0.000 0.000 0.216 491 A C 0.317 177.393 177.584 -0.848 0.000 1.152 491 A CA -0.079 51.280 52.037 -1.131 0.000 0.708 491 A CB -0.399 17.863 19.000 -1.230 0.000 0.805 491 A HN 0.684 nan 8.150 nan 0.000 0.460 492 W N -1.368 119.742 121.300 -0.316 0.000 2.551 492 W HA 0.598 5.258 4.660 0.000 0.000 0.330 492 W C -0.591 175.980 176.519 0.086 0.000 1.063 492 W CA -0.879 56.382 57.345 -0.139 0.000 1.222 492 W CB 1.285 30.623 29.460 -0.204 0.000 1.349 492 W HN 0.028 nan 8.180 nan 0.000 0.536 493 L N 3.567 125.014 121.223 0.373 0.000 2.333 493 L HA 0.460 4.800 4.340 0.000 0.000 0.280 493 L C -0.230 176.701 176.870 0.101 0.000 1.004 493 L CA -1.109 53.852 54.840 0.202 0.000 0.820 493 L CB 1.006 43.107 42.059 0.070 0.000 1.247 493 L HN 0.265 nan 8.230 nan 0.000 0.416 494 K N 3.605 123.865 120.400 -0.234 0.000 2.412 494 K HA 0.226 4.546 4.320 0.000 0.000 0.284 494 K C 0.578 176.938 176.600 -0.401 0.000 1.046 494 K CA 0.321 56.166 56.287 -0.737 0.000 0.999 494 K CB 0.797 32.664 32.500 -1.056 0.000 0.941 494 K HN 0.671 nan 8.250 nan 0.000 0.474 495 V N -0.300 119.432 119.914 -0.304 0.000 3.502 495 V HA 0.391 4.511 4.120 0.000 0.000 0.288 495 V C 0.489 176.498 176.094 -0.142 0.000 1.461 495 V CA 0.157 62.351 62.300 -0.177 0.000 1.029 495 V CB 0.697 32.468 31.823 -0.086 0.000 0.843 495 V HN 0.719 nan 8.190 nan 0.000 0.438 496 G N -0.066 108.647 108.800 -0.144 0.000 2.608 496 G HA2 0.641 4.601 3.960 0.000 0.000 0.291 496 G HA3 0.641 4.601 3.960 0.000 0.000 0.291 496 G C -1.676 173.198 174.900 -0.043 0.000 1.425 496 G CA -1.138 43.913 45.100 -0.081 0.000 0.787 496 G HN 0.164 nan 8.290 nan 0.000 0.484 497 R N -0.511 119.950 120.500 -0.064 0.000 2.532 497 R HA 0.598 4.938 4.340 0.000 0.000 0.295 497 R C -0.487 175.728 176.300 -0.142 0.000 0.968 497 R CA -0.701 55.307 56.100 -0.152 0.000 0.916 497 R CB 2.394 32.599 30.300 -0.159 0.000 1.124 497 R HN 0.295 nan 8.270 nan 0.000 0.463 498 V N 3.043 122.844 119.914 -0.188 0.000 2.530 498 V HA 0.201 4.322 4.120 0.000 0.000 0.282 498 V C 0.811 176.838 176.094 -0.112 0.000 1.048 498 V CA -0.176 62.054 62.300 -0.117 0.000 0.997 498 V CB 1.197 32.956 31.823 -0.106 0.000 0.987 498 V HN 0.951 nan 8.190 nan 0.000 0.477 499 A N 0.000 122.777 122.820 -0.072 0.000 2.254 499 A HA 0.000 4.320 4.320 0.000 0.000 0.244 499 A CA 0.000 52.000 52.037 -0.062 0.000 0.836 499 A CB 0.000 18.975 19.000 -0.041 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486