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 1e6n_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 WQYPQAAEVD 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 0.000 174.711 174.700 0.018 0.000 1.109 3 T CA 0.000 62.116 62.100 0.027 0.000 1.349 3 T CB 0.000 68.885 68.868 0.029 0.000 0.612 4 R N 3.416 123.930 120.500 0.023 0.000 2.566 4 R HA 0.106 4.446 4.340 0.001 0.000 0.273 4 R C 0.042 176.314 176.300 -0.045 0.000 0.981 4 R CA 0.046 56.149 56.100 0.005 0.000 1.091 4 R CB 0.422 30.740 30.300 0.030 0.000 0.924 4 R HN 0.412 nan 8.270 nan 0.000 0.411 5 K N 2.592 122.892 120.400 -0.165 0.000 2.249 5 K HA 0.173 4.493 4.320 0.001 0.000 0.280 5 K C -0.232 176.219 176.600 -0.248 0.000 1.033 5 K CA -0.106 55.978 56.287 -0.339 0.000 0.946 5 K CB 1.571 33.510 32.500 -0.935 0.000 1.005 5 K HN 0.697 nan 8.250 nan 0.000 0.469 6 A N 2.076 124.764 122.820 -0.221 0.000 2.407 6 A HA 0.316 4.636 4.320 0.001 0.000 0.248 6 A C -0.243 177.246 177.584 -0.158 0.000 1.082 6 A CA -0.432 51.487 52.037 -0.196 0.000 0.785 6 A CB 0.438 19.132 19.000 -0.510 0.000 1.020 6 A HN 0.374 nan 8.150 nan 0.000 0.489 7 V N 4.143 124.038 119.914 -0.031 0.000 2.385 7 V HA 0.242 4.363 4.120 0.001 0.000 0.277 7 V C -0.527 175.549 176.094 -0.030 0.000 1.012 7 V CA 0.058 62.395 62.300 0.062 0.000 0.832 7 V CB 0.654 32.593 31.823 0.193 0.000 1.028 7 V HN 0.697 nan 8.190 nan 0.000 0.436 8 I N 4.211 124.660 120.570 -0.202 0.000 2.306 8 I HA 0.494 4.664 4.170 0.001 0.000 0.288 8 I C 0.944 176.653 176.117 -0.680 0.000 1.036 8 I CA -0.106 60.983 61.300 -0.352 0.000 1.221 8 I CB 1.366 39.115 38.000 -0.418 0.000 1.385 8 I HN 0.631 nan 8.210 nan 0.000 0.472 9 G N 5.858 114.195 108.800 -0.773 0.000 2.377 9 G HA2 0.409 4.369 3.960 0.001 0.000 0.316 9 G HA3 0.409 4.369 3.960 0.001 0.000 0.316 9 G C -0.825 173.735 174.900 -0.568 0.000 1.115 9 G CA -0.273 44.038 45.100 -1.314 0.000 0.952 9 G HN 0.334 nan 8.290 nan 0.000 0.441 10 Y N 1.234 121.245 120.300 -0.481 0.000 2.397 10 Y HA 0.269 4.819 4.550 0.001 0.000 0.335 10 Y C -0.103 175.663 175.900 -0.223 0.000 1.213 10 Y CA 0.316 58.273 58.100 -0.239 0.000 1.391 10 Y CB 0.972 39.380 38.460 -0.086 0.000 1.293 10 Y HN 0.523 nan 8.280 nan 0.000 0.557 11 Y N 5.208 125.373 120.300 -0.226 0.000 2.332 11 Y HA 0.366 4.917 4.550 0.001 0.000 0.326 11 Y C -1.878 173.759 175.900 -0.438 0.000 0.978 11 Y CA -2.256 55.722 58.100 -0.204 0.000 1.205 11 Y CB 0.402 38.846 38.460 -0.026 0.000 1.131 11 Y HN 0.478 nan 8.280 nan 0.000 0.462 12 F N 8.605 127.790 119.950 -1.276 0.000 2.427 12 F HA 0.652 5.180 4.527 0.001 0.000 0.346 12 F C -1.338 173.862 175.800 -1.000 0.000 1.120 12 F CA -1.507 55.725 58.000 -1.281 0.000 1.033 12 F CB 0.804 38.918 39.000 -1.476 0.000 1.126 12 F HN 0.482 nan 8.300 nan 0.000 0.462 13 I N 8.940 128.611 120.570 -1.499 0.000 2.529 13 I HA 0.438 4.609 4.170 0.001 0.000 0.284 13 I C -2.726 172.869 176.117 -0.869 0.000 1.088 13 I CA -2.399 58.295 61.300 -1.010 0.000 1.062 13 I CB 1.665 39.398 38.000 -0.446 0.000 1.218 13 I HN 0.392 nan 8.210 nan 0.000 0.442 14 P HA 0.100 nan 4.420 nan 0.000 0.267 14 P C 0.688 177.945 177.300 -0.072 0.000 1.201 14 P CA 0.034 62.906 63.100 -0.380 0.000 0.775 14 P CB 0.616 32.188 31.700 -0.212 0.000 0.854 15 T N 0.401 115.003 114.554 0.079 0.000 2.699 15 T HA -0.224 4.127 4.350 0.001 0.000 0.268 15 T C 1.648 176.409 174.700 0.101 0.000 1.036 15 T CA 1.722 63.917 62.100 0.158 0.000 1.147 15 T CB -0.796 68.196 68.868 0.207 0.000 0.862 15 T HN 0.616 nan 8.240 nan 0.000 0.446 16 N N 0.788 119.525 118.700 0.063 0.000 2.149 16 N HA -0.173 4.567 4.740 0.001 0.000 0.188 16 N C 1.817 177.357 175.510 0.050 0.000 1.019 16 N CA 1.373 54.453 53.050 0.050 0.000 0.857 16 N CB -0.094 38.412 38.487 0.032 0.000 0.997 16 N HN 0.546 nan 8.380 nan 0.000 0.426 17 Q N -0.099 119.724 119.800 0.038 0.000 2.245 17 Q HA 0.082 4.422 4.340 0.001 0.000 0.201 17 Q C 2.150 178.250 176.000 0.166 0.000 0.955 17 Q CA 0.580 56.423 55.803 0.068 0.000 0.870 17 Q CB 0.255 29.009 28.738 0.025 0.000 0.945 17 Q HN 0.471 nan 8.270 nan 0.000 0.461 18 I N 0.973 121.638 120.570 0.159 0.000 2.286 18 I HA -0.233 3.937 4.170 0.001 0.000 0.245 18 I C 1.533 177.730 176.117 0.134 0.000 1.104 18 I CA 0.656 62.066 61.300 0.183 0.000 1.397 18 I CB -0.139 37.956 38.000 0.158 0.000 1.072 18 I HN 0.172 nan 8.210 nan 0.000 0.417 19 N N 1.133 119.890 118.700 0.096 0.000 2.381 19 N HA -0.130 4.610 4.740 0.001 0.000 0.182 19 N C 0.554 176.109 175.510 0.075 0.000 1.025 19 N CA 1.119 54.209 53.050 0.066 0.000 0.888 19 N CB -0.429 38.091 38.487 0.054 0.000 0.965 19 N HN 0.486 nan 8.380 nan 0.000 0.438 20 N N -0.893 117.863 118.700 0.093 0.000 2.351 20 N HA 0.034 4.775 4.740 0.001 0.000 0.254 20 N C -0.807 174.758 175.510 0.092 0.000 1.241 20 N CA -0.338 52.756 53.050 0.074 0.000 0.883 20 N CB 0.359 38.871 38.487 0.041 0.000 1.202 20 N HN 0.117 nan 8.380 nan 0.000 0.512 21 Y N 1.941 122.257 120.300 0.026 0.000 2.881 21 Y HA -0.016 4.534 4.550 0.001 0.000 0.335 21 Y C 0.375 176.293 175.900 0.030 0.000 1.263 21 Y CA 0.824 58.947 58.100 0.038 0.000 1.572 21 Y CB 0.370 38.860 38.460 0.049 0.000 1.237 21 Y HN -0.097 nan 8.280 nan 0.000 0.568 22 T N 5.273 119.473 114.554 -0.590 0.000 2.942 22 T HA 0.279 4.629 4.350 0.001 0.000 0.327 22 T C -0.286 174.102 174.700 -0.519 0.000 1.360 22 T CA -0.691 61.182 62.100 -0.377 0.000 1.055 22 T CB 1.132 69.903 68.868 -0.161 0.000 1.261 22 T HN 0.757 nan 8.240 nan 0.000 0.485 23 E N 1.445 121.471 120.200 -0.290 0.000 2.501 23 E HA 0.123 4.473 4.350 0.001 0.000 0.201 23 E C 0.646 177.170 176.600 -0.126 0.000 1.016 23 E CA 0.088 56.363 56.400 -0.208 0.000 0.920 23 E CB 0.580 30.230 29.700 -0.084 0.000 1.023 23 E HN 0.694 nan 8.360 nan 0.000 0.474 24 T N -1.773 112.715 114.554 -0.109 0.000 3.296 24 T HA 0.180 4.531 4.350 0.001 0.000 0.285 24 T C -0.203 174.457 174.700 -0.068 0.000 1.014 24 T CA -0.498 61.558 62.100 -0.073 0.000 0.920 24 T CB 0.222 69.060 68.868 -0.050 0.000 1.143 24 T HN -0.170 nan 8.240 nan 0.000 0.522 25 D N 0.040 120.390 120.400 -0.083 0.000 2.445 25 D HA 0.262 4.903 4.640 0.001 0.000 0.236 25 D C 0.981 177.244 176.300 -0.062 0.000 1.315 25 D CA -0.278 53.684 54.000 -0.063 0.000 0.924 25 D CB 1.333 42.099 40.800 -0.057 0.000 1.447 25 D HN -0.069 nan 8.370 nan 0.000 0.532 26 T N 0.164 114.688 114.554 -0.049 0.000 2.778 26 T HA -0.185 4.165 4.350 0.001 0.000 0.269 26 T C 1.896 176.584 174.700 -0.020 0.000 1.050 26 T CA 2.256 64.337 62.100 -0.032 0.000 1.137 26 T CB 0.071 68.925 68.868 -0.023 0.000 0.860 26 T HN 0.481 nan 8.240 nan 0.000 0.468 27 S N 0.089 115.776 115.700 -0.023 0.000 2.423 27 S HA -0.047 4.423 4.470 0.001 0.000 0.231 27 S C 1.956 176.546 174.600 -0.017 0.000 1.014 27 S CA 1.087 59.276 58.200 -0.017 0.000 0.965 27 S CB -0.395 62.795 63.200 -0.016 0.000 0.785 27 S HN 0.368 nan 8.310 nan 0.000 0.495 28 V N 0.615 120.513 119.914 -0.026 0.000 2.391 28 V HA 0.235 4.355 4.120 0.001 0.000 0.237 28 V C 0.873 176.951 176.094 -0.027 0.000 1.046 28 V CA 0.529 62.814 62.300 -0.026 0.000 1.053 28 V CB -0.272 31.528 31.823 -0.038 0.000 0.704 28 V HN 0.412 nan 8.190 nan 0.000 0.475 29 V N 2.083 121.965 119.914 -0.053 0.000 2.275 29 V HA 0.276 4.396 4.120 0.001 0.000 0.272 29 V C -1.761 174.337 176.094 0.007 0.000 1.028 29 V CA -0.997 61.281 62.300 -0.037 0.000 0.810 29 V CB 0.916 32.648 31.823 -0.151 0.000 1.043 29 V HN 0.341 nan 8.190 nan 0.000 0.453 30 P HA -0.116 nan 4.420 nan 0.000 0.219 30 P C 0.169 177.592 177.300 0.204 0.000 1.146 30 P CA 1.369 64.531 63.100 0.104 0.000 0.808 30 P CB 0.125 31.890 31.700 0.108 0.000 0.779 31 F N 0.140 120.138 119.950 0.080 0.000 2.872 31 F HA 0.366 4.893 4.527 0.001 0.000 0.365 31 F C -2.656 173.272 175.800 0.214 0.000 1.296 31 F CA -2.767 55.316 58.000 0.139 0.000 1.199 31 F CB 0.953 40.073 39.000 0.200 0.000 1.687 31 F HN -0.208 nan 8.300 nan 0.000 0.604 32 P HA 0.072 nan 4.420 nan 0.000 0.274 32 P C 0.953 178.347 177.300 0.156 0.000 1.256 32 P CA -0.088 63.111 63.100 0.165 0.000 0.795 32 P CB 1.820 33.461 31.700 -0.100 0.000 1.038 33 V N 0.768 120.868 119.914 0.310 0.000 2.720 33 V HA -0.204 3.916 4.120 0.001 0.000 0.256 33 V C 2.535 178.646 176.094 0.028 0.000 1.082 33 V CA 2.491 64.865 62.300 0.125 0.000 1.101 33 V CB -1.747 30.168 31.823 0.154 0.000 0.693 33 V HN 0.726 nan 8.190 nan 0.000 0.479 34 S N 0.147 115.861 115.700 0.024 0.000 2.537 34 S HA -0.147 4.324 4.470 0.001 0.000 0.240 34 S C 1.578 176.109 174.600 -0.114 0.000 0.981 34 S CA 1.092 59.275 58.200 -0.029 0.000 0.948 34 S CB -0.600 62.588 63.200 -0.021 0.000 0.759 34 S HN 0.676 nan 8.310 nan 0.000 0.531 35 N N 1.181 119.737 118.700 -0.239 0.000 2.457 35 N HA 0.162 4.902 4.740 0.001 0.000 0.180 35 N C 0.062 175.472 175.510 -0.167 0.000 1.050 35 N CA 0.550 53.385 53.050 -0.358 0.000 0.906 35 N CB -0.000 37.890 38.487 -0.994 0.000 0.968 35 N HN 0.517 nan 8.380 nan 0.000 0.445 36 I N 2.261 122.787 120.570 -0.073 0.000 2.282 36 I HA 0.039 4.210 4.170 0.001 0.000 0.290 36 I C 0.745 176.854 176.117 -0.012 0.000 1.090 36 I CA -0.368 60.939 61.300 0.012 0.000 1.231 36 I CB 0.572 38.602 38.000 0.049 0.000 1.434 36 I HN -0.074 nan 8.210 nan 0.000 0.487 37 T N 2.744 117.278 114.554 -0.033 0.000 2.824 37 T HA 0.304 4.654 4.350 0.001 0.000 0.277 37 T C -1.791 172.838 174.700 -0.119 0.000 0.975 37 T CA -1.704 60.349 62.100 -0.079 0.000 0.966 37 T CB 1.203 70.026 68.868 -0.075 0.000 1.054 37 T HN 0.183 nan 8.240 nan 0.000 0.533 38 P HA -0.062 nan 4.420 nan 0.000 0.216 38 P C 1.658 178.880 177.300 -0.129 0.000 1.153 38 P CA 1.611 64.480 63.100 -0.385 0.000 0.858 38 P CB -0.335 30.974 31.700 -0.652 0.000 0.789 39 A N -0.165 122.602 122.820 -0.089 0.000 1.902 39 A HA -0.219 4.101 4.320 0.001 0.000 0.217 39 A C 2.073 179.657 177.584 -0.001 0.000 1.181 39 A CA 1.684 53.702 52.037 -0.032 0.000 0.623 39 A CB -0.972 18.011 19.000 -0.029 0.000 0.818 39 A HN 0.153 nan 8.150 nan 0.000 0.443 40 K N -0.301 120.101 120.400 0.004 0.000 2.097 40 K HA -0.016 4.305 4.320 0.001 0.000 0.205 40 K C 2.229 178.869 176.600 0.066 0.000 1.050 40 K CA 0.977 57.291 56.287 0.044 0.000 0.938 40 K CB -0.297 32.238 32.500 0.059 0.000 0.718 40 K HN 0.437 nan 8.250 nan 0.000 0.442 41 A N 1.933 124.785 122.820 0.053 0.000 1.972 41 A HA -0.173 4.147 4.320 0.001 0.000 0.219 41 A C 1.783 179.416 177.584 0.082 0.000 1.169 41 A CA 1.382 53.468 52.037 0.082 0.000 0.635 41 A CB -0.220 18.848 19.000 0.112 0.000 0.810 41 A HN 0.194 nan 8.150 nan 0.000 0.446 42 K N -0.514 119.926 120.400 0.067 0.000 2.288 42 K HA -0.085 4.236 4.320 0.001 0.000 0.201 42 K C 1.857 178.498 176.600 0.069 0.000 1.048 42 K CA 1.158 57.484 56.287 0.065 0.000 0.956 42 K CB -0.075 32.455 32.500 0.050 0.000 0.746 42 K HN 0.640 nan 8.250 nan 0.000 0.461 43 Q N 0.214 120.059 119.800 0.075 0.000 2.432 43 Q HA 0.072 4.412 4.340 0.001 0.000 0.205 43 Q C 0.156 176.232 176.000 0.127 0.000 0.945 43 Q CA 0.353 56.210 55.803 0.091 0.000 0.924 43 Q CB 0.185 28.970 28.738 0.079 0.000 1.016 43 Q HN 0.190 nan 8.270 nan 0.000 0.503 44 L N -0.306 120.991 121.223 0.122 0.000 2.352 44 L HA 0.248 4.588 4.340 0.001 0.000 0.269 44 L C 1.136 178.063 176.870 0.095 0.000 1.034 44 L CA -0.236 54.682 54.840 0.129 0.000 0.806 44 L CB 1.601 43.734 42.059 0.124 0.000 1.244 44 L HN 0.016 nan 8.230 nan 0.000 0.447 45 T N -3.876 110.747 114.554 0.114 0.000 2.978 45 T HA 0.252 4.602 4.350 0.001 0.000 0.248 45 T C 0.198 174.891 174.700 -0.012 0.000 1.018 45 T CA 0.112 62.266 62.100 0.090 0.000 1.026 45 T CB 0.074 69.062 68.868 0.200 0.000 1.032 45 T HN 0.510 nan 8.240 nan 0.000 0.485 46 H N -0.405 118.640 119.070 -0.042 0.000 2.894 46 H HA 0.676 5.233 4.556 0.001 0.000 0.367 46 H C -1.331 173.938 175.328 -0.099 0.000 1.144 46 H CA -0.910 55.101 56.048 -0.061 0.000 1.180 46 H CB 1.631 31.325 29.762 -0.115 0.000 1.758 46 H HN 0.160 nan 8.280 nan 0.000 0.541 47 I N 2.357 122.969 120.570 0.071 0.000 2.418 47 I HA 0.239 4.409 4.170 0.001 0.000 0.287 47 I C -0.568 175.554 176.117 0.008 0.000 1.008 47 I CA -0.832 60.480 61.300 0.021 0.000 1.104 47 I CB 1.372 39.433 38.000 0.102 0.000 1.264 47 I HN 0.503 nan 8.210 nan 0.000 0.438 48 N N 6.475 125.070 118.700 -0.175 0.000 2.527 48 N HA 0.213 4.954 4.740 0.001 0.000 0.236 48 N C -0.613 174.857 175.510 -0.068 0.000 0.999 48 N CA -0.331 52.569 53.050 -0.250 0.000 0.935 48 N CB 0.612 38.576 38.487 -0.872 0.000 1.132 48 N HN 0.388 nan 8.380 nan 0.000 0.511 49 F N 1.991 121.952 119.950 0.020 0.000 2.578 49 F HA 0.115 4.642 4.527 0.001 0.000 0.381 49 F C 0.065 175.846 175.800 -0.032 0.000 1.069 49 F CA 0.229 58.287 58.000 0.097 0.000 1.231 49 F CB 0.396 39.551 39.000 0.259 0.000 1.086 49 F HN 0.198 nan 8.300 nan 0.000 0.564 50 S N 6.506 121.606 115.700 -1.001 0.000 2.532 50 S HA 0.706 5.176 4.470 0.001 0.000 0.299 50 S C -1.289 172.929 174.600 -0.635 0.000 1.105 50 S CA -0.472 57.201 58.200 -0.879 0.000 1.018 50 S CB 1.155 63.584 63.200 -1.285 0.000 1.021 50 S HN 0.479 nan 8.310 nan 0.000 0.483 51 F N 1.235 121.245 119.950 0.100 0.000 2.599 51 F HA 0.626 5.154 4.527 0.001 0.000 0.311 51 F C -0.294 175.694 175.800 0.313 0.000 1.076 51 F CA -0.869 57.279 58.000 0.246 0.000 0.937 51 F CB 1.122 40.304 39.000 0.304 0.000 1.282 51 F HN 0.343 nan 8.300 nan 0.000 0.460 52 L N 0.883 122.370 121.223 0.439 0.000 2.635 52 L HA 0.600 4.941 4.340 0.001 0.000 0.250 52 L C -0.496 176.522 176.870 0.247 0.000 1.117 52 L CA -0.035 54.885 54.840 0.134 0.000 0.834 52 L CB 1.000 43.006 42.059 -0.088 0.000 1.544 52 L HN 0.684 nan 8.230 nan 0.000 0.511 53 D N -1.700 118.709 120.400 0.015 0.000 2.825 53 D HA 0.492 5.132 4.640 0.001 0.000 0.327 53 D C -1.568 174.628 176.300 -0.174 0.000 1.277 53 D CA -0.362 53.558 54.000 -0.133 0.000 0.950 53 D CB 1.194 41.599 40.800 -0.659 0.000 1.438 53 D HN 0.240 nan 8.370 nan 0.000 0.526 54 I N 2.098 122.438 120.570 -0.384 0.000 2.436 54 I HA 0.340 4.510 4.170 0.001 0.000 0.289 54 I C -0.191 175.718 176.117 -0.346 0.000 1.010 54 I CA -0.971 60.062 61.300 -0.444 0.000 1.098 54 I CB 1.416 38.826 38.000 -0.983 0.000 1.266 54 I HN 0.333 nan 8.210 nan 0.000 0.434 55 N N 3.255 121.832 118.700 -0.206 0.000 2.448 55 N HA 0.135 4.875 4.740 0.001 0.000 0.274 55 N C 0.906 176.327 175.510 -0.149 0.000 1.239 55 N CA -0.528 52.431 53.050 -0.152 0.000 0.982 55 N CB 0.541 38.983 38.487 -0.076 0.000 1.199 55 N HN 0.559 nan 8.380 nan 0.000 0.576 56 S N -1.301 114.335 115.700 -0.108 0.000 2.440 56 S HA -0.224 4.247 4.470 0.001 0.000 0.238 56 S C 1.156 175.708 174.600 -0.080 0.000 1.010 56 S CA 1.069 59.212 58.200 -0.094 0.000 0.972 56 S CB -0.849 62.313 63.200 -0.064 0.000 0.774 56 S HN 0.756 nan 8.310 nan 0.000 0.501 57 N N 1.195 119.858 118.700 -0.062 0.000 2.521 57 N HA 0.094 4.835 4.740 0.001 0.000 0.188 57 N C -0.159 175.322 175.510 -0.047 0.000 1.146 57 N CA 0.371 53.396 53.050 -0.041 0.000 0.893 57 N CB -0.263 38.213 38.487 -0.018 0.000 0.975 57 N HN 0.443 nan 8.380 nan 0.000 0.451 58 L N 0.354 121.522 121.223 -0.091 0.000 3.608 58 L HA -0.221 4.120 4.340 0.001 0.000 0.422 58 L C -1.029 175.830 176.870 -0.017 0.000 1.260 58 L CA 0.737 55.502 54.840 -0.125 0.000 0.889 58 L CB -1.744 40.243 42.059 -0.120 0.000 1.821 58 L HN 0.312 nan 8.230 nan 0.000 0.884 59 E N -0.645 119.565 120.200 0.016 0.000 2.312 59 E HA 0.384 4.735 4.350 0.001 0.000 0.267 59 E C -0.365 176.312 176.600 0.129 0.000 0.894 59 E CA -0.812 55.666 56.400 0.131 0.000 0.773 59 E CB 2.696 32.438 29.700 0.070 0.000 1.241 59 E HN 0.283 nan 8.360 nan 0.000 0.432 60 C N 2.117 121.540 119.300 0.205 0.000 2.653 60 C HA 0.630 5.090 4.460 0.001 0.000 0.421 60 C C 0.099 175.123 174.990 0.058 0.000 1.334 60 C CA 0.216 59.330 59.018 0.160 0.000 1.885 60 C CB -1.597 26.224 27.740 0.134 0.000 2.645 60 C HN 0.674 nan 8.230 nan 0.000 0.601 61 A N 4.976 127.801 122.820 0.008 0.000 2.601 61 A HA 0.695 5.015 4.320 0.001 0.000 0.291 61 A C -1.529 176.056 177.584 0.002 0.000 1.075 61 A CA -0.687 51.367 52.037 0.030 0.000 0.671 61 A CB 0.225 19.261 19.000 0.060 0.000 1.277 61 A HN 0.926 nan 8.150 nan 0.000 0.417 62 W N 0.903 122.193 121.300 -0.017 0.000 2.237 62 W HA 0.403 5.063 4.660 0.001 0.000 0.335 62 W C 0.552 177.087 176.519 0.027 0.000 1.230 62 W CA 0.737 58.089 57.345 0.012 0.000 1.253 62 W CB 0.575 30.013 29.460 -0.036 0.000 1.129 62 W HN 0.707 nan 8.180 nan 0.000 0.590 63 D N 3.032 123.643 120.400 0.353 0.000 2.520 63 D HA -0.048 4.593 4.640 0.001 0.000 0.243 63 D C -1.360 175.069 176.300 0.213 0.000 1.160 63 D CA -0.986 53.157 54.000 0.238 0.000 0.877 63 D CB 1.200 42.217 40.800 0.360 0.000 1.150 63 D HN 0.013 nan 8.370 nan 0.000 0.494 64 P HA -0.157 nan 4.420 nan 0.000 0.218 64 P C 0.535 177.894 177.300 0.098 0.000 1.147 64 P CA 1.667 64.829 63.100 0.103 0.000 0.827 64 P CB 0.130 31.871 31.700 0.070 0.000 0.778 65 A N -1.785 121.106 122.820 0.119 0.000 2.302 65 A HA 0.113 4.433 4.320 0.001 0.000 0.219 65 A C 0.664 178.307 177.584 0.098 0.000 1.243 65 A CA 0.377 52.475 52.037 0.101 0.000 0.856 65 A CB -0.966 18.101 19.000 0.112 0.000 0.893 65 A HN 0.100 nan 8.150 nan 0.000 0.491 66 T N 1.497 116.115 114.554 0.106 0.000 2.817 66 T HA 0.142 4.493 4.350 0.001 0.000 0.293 66 T C 0.220 174.902 174.700 -0.031 0.000 0.964 66 T CA -0.522 61.615 62.100 0.061 0.000 1.085 66 T CB 0.669 69.588 68.868 0.085 0.000 0.921 66 T HN 0.385 nan 8.240 nan 0.000 0.502 67 N N 2.385 121.056 118.700 -0.047 0.000 2.416 67 N HA -0.025 4.716 4.740 0.001 0.000 0.265 67 N C 0.733 176.149 175.510 -0.157 0.000 1.195 67 N CA -0.053 52.956 53.050 -0.069 0.000 0.943 67 N CB 0.947 39.410 38.487 -0.040 0.000 1.115 67 N HN 0.651 nan 8.380 nan 0.000 0.481 68 D N 3.543 123.849 120.400 -0.158 0.000 2.182 68 D HA -0.119 4.522 4.640 0.001 0.000 0.201 68 D C 1.581 177.767 176.300 -0.190 0.000 0.986 68 D CA 1.654 55.523 54.000 -0.218 0.000 0.847 68 D CB 0.312 41.036 40.800 -0.127 0.000 0.942 68 D HN 0.660 nan 8.370 nan 0.000 0.467 69 A N 0.352 123.093 122.820 -0.132 0.000 1.872 69 A HA -0.127 4.194 4.320 0.001 0.000 0.214 69 A C 2.069 179.576 177.584 -0.129 0.000 1.187 69 A CA 1.070 53.039 52.037 -0.113 0.000 0.614 69 A CB -0.298 18.657 19.000 -0.076 0.000 0.826 69 A HN 0.057 nan 8.150 nan 0.000 0.442 70 K N 0.183 120.511 120.400 -0.120 0.000 2.211 70 K HA 0.007 4.327 4.320 0.001 0.000 0.203 70 K C 2.135 178.614 176.600 -0.201 0.000 1.050 70 K CA 1.182 57.402 56.287 -0.113 0.000 0.945 70 K CB -0.639 31.836 32.500 -0.042 0.000 0.732 70 K HN 0.455 nan 8.250 nan 0.000 0.451 71 A N 1.659 124.291 122.820 -0.313 0.000 1.897 71 A HA -0.126 4.194 4.320 0.001 0.000 0.215 71 A C 2.231 179.585 177.584 -0.383 0.000 1.181 71 A CA 1.031 52.755 52.037 -0.521 0.000 0.620 71 A CB -0.333 17.927 19.000 -1.235 0.000 0.821 71 A HN 0.224 nan 8.150 nan 0.000 0.443 72 R N -0.510 119.841 120.500 -0.247 0.000 2.096 72 R HA -0.156 4.184 4.340 0.001 0.000 0.235 72 R C 1.936 178.145 176.300 -0.151 0.000 1.127 72 R CA 1.582 57.613 56.100 -0.114 0.000 0.968 72 R CB -0.375 29.856 30.300 -0.115 0.000 0.861 72 R HN 0.712 nan 8.270 nan 0.000 0.440 73 D N 0.010 120.309 120.400 -0.170 0.000 2.084 73 D HA -0.120 4.520 4.640 0.001 0.000 0.196 73 D C 1.761 177.926 176.300 -0.224 0.000 0.985 73 D CA 1.007 54.908 54.000 -0.166 0.000 0.826 73 D CB 0.143 40.855 40.800 -0.146 0.000 0.978 73 D HN -0.082 nan 8.370 nan 0.000 0.456 74 V N 0.053 119.779 119.914 -0.313 0.000 2.287 74 V HA -0.239 3.881 4.120 0.001 0.000 0.248 74 V C 2.607 178.616 176.094 -0.143 0.000 1.053 74 V CA 1.531 63.628 62.300 -0.339 0.000 1.027 74 V CB -0.441 31.216 31.823 -0.277 0.000 0.646 74 V HN 0.201 nan 8.190 nan 0.000 0.447 75 V N 0.444 120.258 119.914 -0.168 0.000 2.407 75 V HA -0.291 3.829 4.120 0.001 0.000 0.248 75 V C 2.053 178.074 176.094 -0.122 0.000 1.055 75 V CA 2.370 64.570 62.300 -0.167 0.000 1.049 75 V CB -1.134 30.488 31.823 -0.335 0.000 0.662 75 V HN 0.643 nan 8.190 nan 0.000 0.455 76 N N 0.046 118.671 118.700 -0.125 0.000 2.069 76 N HA -0.198 4.542 4.740 0.001 0.000 0.191 76 N C 2.046 177.527 175.510 -0.049 0.000 1.031 76 N CA 1.309 54.304 53.050 -0.091 0.000 0.852 76 N CB -0.208 38.226 38.487 -0.090 0.000 1.018 76 N HN 0.443 nan 8.380 nan 0.000 0.423 77 R N 0.753 121.225 120.500 -0.045 0.000 2.105 77 R HA -0.081 4.260 4.340 0.001 0.000 0.239 77 R C 2.144 178.462 176.300 0.029 0.000 1.135 77 R CA 0.936 57.036 56.100 -0.000 0.000 0.967 77 R CB -0.285 30.018 30.300 0.005 0.000 0.861 77 R HN 0.269 nan 8.270 nan 0.000 0.442 78 L N -0.203 121.044 121.223 0.040 0.000 2.044 78 L HA -0.128 4.212 4.340 0.001 0.000 0.205 78 L C 2.600 179.506 176.870 0.061 0.000 1.075 78 L CA 1.670 56.556 54.840 0.077 0.000 0.747 78 L CB -0.836 41.317 42.059 0.157 0.000 0.903 78 L HN 0.349 nan 8.230 nan 0.000 0.435 79 T N -2.370 112.201 114.554 0.028 0.000 2.962 79 T HA -0.083 4.267 4.350 0.001 0.000 0.270 79 T C 1.867 176.568 174.700 0.002 0.000 1.088 79 T CA 0.818 62.928 62.100 0.016 0.000 1.127 79 T CB -0.346 68.510 68.868 -0.019 0.000 0.883 79 T HN 0.306 nan 8.240 nan 0.000 0.493 80 A N 1.603 124.422 122.820 -0.000 0.000 2.070 80 A HA 0.189 4.510 4.320 0.001 0.000 0.220 80 A C 2.318 179.899 177.584 -0.005 0.000 1.159 80 A CA 0.901 52.930 52.037 -0.013 0.000 0.656 80 A CB -0.876 18.128 19.000 0.006 0.000 0.800 80 A HN 0.576 nan 8.150 nan 0.000 0.453 81 L N -0.920 120.335 121.223 0.053 0.000 2.265 81 L HA -0.190 4.150 4.340 0.001 0.000 0.215 81 L C 2.318 179.226 176.870 0.063 0.000 1.117 81 L CA 1.355 56.268 54.840 0.121 0.000 0.782 81 L CB -0.399 41.727 42.059 0.111 0.000 0.914 81 L HN 0.358 nan 8.230 nan 0.000 0.441 82 K N 0.301 120.704 120.400 0.005 0.000 2.209 82 K HA -0.123 4.197 4.320 0.001 0.000 0.204 82 K C 2.192 178.748 176.600 -0.074 0.000 1.048 82 K CA 1.148 57.425 56.287 -0.017 0.000 0.940 82 K CB -0.237 32.254 32.500 -0.014 0.000 0.729 82 K HN 0.291 nan 8.250 nan 0.000 0.451 83 A N 0.703 123.416 122.820 -0.180 0.000 2.070 83 A HA -0.173 4.147 4.320 0.001 0.000 0.220 83 A C 1.144 178.530 177.584 -0.330 0.000 1.159 83 A CA 1.371 53.236 52.037 -0.288 0.000 0.656 83 A CB -0.577 18.174 19.000 -0.414 0.000 0.800 83 A HN 0.406 nan 8.150 nan 0.000 0.453 84 H N -2.131 116.944 119.070 0.007 0.000 2.586 84 H HA 0.211 4.767 4.556 0.001 0.000 0.273 84 H C -0.100 175.235 175.328 0.011 0.000 0.997 84 H CA 0.329 56.383 56.048 0.009 0.000 1.177 84 H CB 0.397 30.166 29.762 0.012 0.000 1.471 84 H HN 0.420 nan 8.280 nan 0.000 0.538 85 N N 0.313 119.060 118.700 0.078 0.000 2.875 85 N HA 0.027 4.767 4.740 0.001 0.000 0.253 85 N C -2.529 172.991 175.510 0.016 0.000 1.296 85 N CA -1.520 51.563 53.050 0.054 0.000 0.816 85 N CB 1.303 39.830 38.487 0.066 0.000 1.504 85 N HN -0.111 nan 8.380 nan 0.000 0.582 86 P HA 0.027 nan 4.420 nan 0.000 0.236 86 P C 0.328 177.617 177.300 -0.018 0.000 1.172 86 P CA 0.625 63.718 63.100 -0.011 0.000 0.759 86 P CB 0.471 32.166 31.700 -0.009 0.000 0.843 87 S N -0.927 114.765 115.700 -0.013 0.000 2.511 87 S HA 0.104 4.574 4.470 0.001 0.000 0.214 87 S C 0.703 175.263 174.600 -0.066 0.000 0.997 87 S CA -0.415 57.768 58.200 -0.028 0.000 0.908 87 S CB -0.308 62.889 63.200 -0.005 0.000 0.803 87 S HN 0.084 nan 8.310 nan 0.000 0.504 88 L N 3.419 124.615 121.223 -0.045 0.000 2.455 88 L HA 0.272 4.612 4.340 0.001 0.000 0.272 88 L C 0.004 176.822 176.870 -0.086 0.000 1.174 88 L CA 0.518 55.321 54.840 -0.061 0.000 0.869 88 L CB 0.154 42.215 42.059 0.002 0.000 1.130 88 L HN 0.006 nan 8.230 nan 0.000 0.474 89 R N 5.678 126.081 120.500 -0.161 0.000 2.494 89 R HA 0.517 4.858 4.340 0.001 0.000 0.305 89 R C -1.062 175.262 176.300 0.039 0.000 0.959 89 R CA -0.925 55.120 56.100 -0.092 0.000 0.864 89 R CB 1.580 31.747 30.300 -0.222 0.000 1.159 89 R HN 0.507 nan 8.270 nan 0.000 0.446 90 I N 5.126 125.787 120.570 0.152 0.000 2.310 90 I HA 0.202 4.372 4.170 0.001 0.000 0.287 90 I C 0.296 176.647 176.117 0.389 0.000 1.073 90 I CA -0.232 61.227 61.300 0.264 0.000 1.216 90 I CB 0.577 38.757 38.000 0.298 0.000 1.415 90 I HN 0.509 nan 8.210 nan 0.000 0.480 91 M N 6.046 125.798 119.600 0.253 0.000 2.197 91 M HA 0.394 4.874 4.480 0.001 0.000 0.305 91 M C -0.240 176.069 176.300 0.015 0.000 1.162 91 M CA -0.312 55.077 55.300 0.148 0.000 1.099 91 M CB 0.827 33.445 32.600 0.029 0.000 1.430 91 M HN 0.350 nan 8.290 nan 0.000 0.481 92 F N -1.157 118.533 119.950 -0.435 0.000 2.551 92 F HA 0.712 5.239 4.527 0.001 0.000 0.316 92 F C -0.403 175.262 175.800 -0.224 0.000 1.089 92 F CA -1.102 56.518 58.000 -0.633 0.000 0.915 92 F CB 1.275 39.315 39.000 -1.600 0.000 1.186 92 F HN 0.474 nan 8.300 nan 0.000 0.456 93 S N 3.904 119.615 115.700 0.019 0.000 2.451 93 S HA 0.709 5.179 4.470 0.001 0.000 0.301 93 S C -0.756 174.076 174.600 0.387 0.000 1.116 93 S CA -0.643 57.656 58.200 0.166 0.000 1.093 93 S CB 0.454 63.900 63.200 0.410 0.000 1.017 93 S HN 0.629 nan 8.310 nan 0.000 0.482 94 I N 5.042 125.790 120.570 0.297 0.000 2.321 94 I HA 0.585 4.755 4.170 0.001 0.000 0.291 94 I C 1.068 177.401 176.117 0.361 0.000 0.998 94 I CA 0.080 61.594 61.300 0.357 0.000 1.227 94 I CB 0.850 39.034 38.000 0.306 0.000 1.368 94 I HN 0.999 nan 8.210 nan 0.000 0.466 95 G N 4.345 113.331 108.800 0.310 0.000 2.713 95 G HA2 0.293 4.253 3.960 0.001 0.000 0.215 95 G HA3 0.293 4.253 3.960 0.001 0.000 0.215 95 G C 0.086 174.524 174.900 -0.770 0.000 1.265 95 G CA 0.054 45.142 45.100 -0.021 0.000 1.204 95 G HN 1.472 nan 8.290 nan 0.000 0.545 96 G N -1.792 106.371 108.800 -1.062 0.000 2.712 96 G HA2 0.086 4.047 3.960 0.001 0.000 0.683 96 G HA3 0.086 4.047 3.960 0.001 0.000 0.683 96 G C 0.720 175.158 174.900 -0.771 0.000 1.320 96 G CA 0.556 44.728 45.100 -1.548 0.000 0.847 96 G HN 2.029 nan 8.290 nan 0.000 0.553 97 W N -0.026 120.841 121.300 -0.721 0.000 2.355 97 W HA -0.149 4.511 4.660 0.001 0.000 0.309 97 W C 1.994 178.292 176.519 -0.368 0.000 1.206 97 W CA 2.568 59.609 57.345 -0.507 0.000 1.284 97 W CB -0.311 28.885 29.460 -0.439 0.000 1.145 97 W HN 0.668 nan 8.180 nan 0.000 0.502 98 Y N 0.530 120.517 120.300 -0.523 0.000 2.181 98 Y HA -0.293 4.258 4.550 0.001 0.000 0.288 98 Y C 2.367 178.040 175.900 -0.379 0.000 1.146 98 Y CA 2.470 60.285 58.100 -0.475 0.000 1.164 98 Y CB -1.154 37.106 38.460 -0.332 0.000 0.982 98 Y HN -0.113 nan 8.280 nan 0.000 0.515 99 Y N -0.935 119.109 120.300 -0.427 0.000 2.314 99 Y HA -0.017 4.533 4.550 0.001 0.000 0.294 99 Y C 2.663 178.247 175.900 -0.526 0.000 1.119 99 Y CA 0.991 58.843 58.100 -0.413 0.000 1.179 99 Y CB -0.908 37.448 38.460 -0.175 0.000 1.025 99 Y HN 0.250 nan 8.280 nan 0.000 0.541 100 S N -0.161 115.222 115.700 -0.529 0.000 2.578 100 S HA 0.122 4.592 4.470 0.001 0.000 0.231 100 S C 0.151 174.444 174.600 -0.513 0.000 0.994 100 S CA -0.574 57.192 58.200 -0.723 0.000 0.956 100 S CB -1.274 61.214 63.200 -1.187 0.000 0.870 100 S HN 0.446 nan 8.310 nan 0.000 0.494 101 N N 1.643 119.903 118.700 -0.734 0.000 2.415 101 N HA 0.103 4.844 4.740 0.001 0.000 0.248 101 N C 0.266 175.437 175.510 -0.565 0.000 1.271 101 N CA -0.058 52.502 53.050 -0.816 0.000 0.913 101 N CB 0.187 37.641 38.487 -1.721 0.000 1.129 101 N HN -0.161 nan 8.380 nan 0.000 0.444 102 D N -0.125 119.983 120.400 -0.486 0.000 2.191 102 D HA -0.140 4.500 4.640 0.001 0.000 0.195 102 D C 0.929 176.853 176.300 -0.628 0.000 1.003 102 D CA 1.321 54.904 54.000 -0.694 0.000 0.867 102 D CB -0.035 40.563 40.800 -0.336 0.000 0.926 102 D HN 0.441 nan 8.370 nan 0.000 0.450 103 L N 0.073 121.041 121.223 -0.425 0.000 2.818 103 L HA 0.294 4.634 4.340 0.001 0.000 0.243 103 L C 1.230 177.916 176.870 -0.307 0.000 1.185 103 L CA -0.016 54.647 54.840 -0.295 0.000 0.988 103 L CB -0.332 41.611 42.059 -0.195 0.000 1.292 103 L HN -0.182 nan 8.230 nan 0.000 0.519 104 G N 0.061 108.622 108.800 -0.398 0.000 2.594 104 G HA2 0.273 4.234 3.960 0.001 0.000 0.243 104 G HA3 0.273 4.234 3.960 0.001 0.000 0.243 104 G C 1.352 176.085 174.900 -0.277 0.000 1.229 104 G CA 0.156 44.998 45.100 -0.430 0.000 0.843 104 G HN 0.087 nan 8.290 nan 0.000 0.578 105 V N -0.987 118.737 119.914 -0.316 0.000 2.490 105 V HA -0.088 4.033 4.120 0.001 0.000 0.250 105 V C 2.003 178.025 176.094 -0.120 0.000 1.061 105 V CA 2.308 64.498 62.300 -0.183 0.000 1.064 105 V CB -0.404 31.323 31.823 -0.159 0.000 0.670 105 V HN 0.443 nan 8.190 nan 0.000 0.461 106 S N -1.248 114.382 115.700 -0.116 0.000 2.554 106 S HA 0.161 4.631 4.470 0.001 0.000 0.226 106 S C 1.519 176.108 174.600 -0.019 0.000 0.980 106 S CA 0.163 58.319 58.200 -0.073 0.000 0.939 106 S CB -0.618 62.544 63.200 -0.063 0.000 0.832 106 S HN 0.809 nan 8.310 nan 0.000 0.486 107 H N 2.617 121.587 119.070 -0.166 0.000 2.289 107 H HA -0.220 4.336 4.556 0.001 0.000 0.294 107 H C 2.245 177.479 175.328 -0.156 0.000 1.095 107 H CA 2.012 57.931 56.048 -0.215 0.000 1.256 107 H CB -0.259 29.370 29.762 -0.222 0.000 1.359 107 H HN 0.448 nan 8.280 nan 0.000 0.487 108 A N 1.269 123.992 122.820 -0.161 0.000 1.958 108 A HA -0.260 4.060 4.320 0.001 0.000 0.221 108 A C 2.225 179.641 177.584 -0.281 0.000 1.178 108 A CA 1.945 53.870 52.037 -0.187 0.000 0.642 108 A CB -0.484 18.466 19.000 -0.083 0.000 0.816 108 A HN 0.592 nan 8.150 nan 0.000 0.453 109 N N -1.213 117.312 118.700 -0.292 0.000 2.244 109 N HA -0.141 4.600 4.740 0.001 0.000 0.183 109 N C 1.411 176.544 175.510 -0.628 0.000 1.016 109 N CA 1.581 54.390 53.050 -0.401 0.000 0.866 109 N CB -0.590 37.651 38.487 -0.410 0.000 0.980 109 N HN 0.678 nan 8.380 nan 0.000 0.430 110 Y N 0.835 120.644 120.300 -0.818 0.000 2.220 110 Y HA -0.028 4.522 4.550 0.001 0.000 0.291 110 Y C 2.477 177.770 175.900 -1.012 0.000 1.129 110 Y CA 0.497 57.879 58.100 -1.197 0.000 1.161 110 Y CB -0.662 36.532 38.460 -2.109 0.000 0.997 110 Y HN -0.185 nan 8.280 nan 0.000 0.522 111 V N 0.560 120.088 119.914 -0.644 0.000 2.343 111 V HA -0.280 3.840 4.120 0.001 0.000 0.247 111 V C 1.840 177.851 176.094 -0.138 0.000 1.051 111 V CA 2.034 64.207 62.300 -0.212 0.000 1.036 111 V CB -0.520 31.219 31.823 -0.140 0.000 0.654 111 V HN 0.484 nan 8.190 nan 0.000 0.451 112 N N 0.368 118.946 118.700 -0.205 0.000 2.354 112 N HA -0.017 4.724 4.740 0.001 0.000 0.179 112 N C 1.871 177.288 175.510 -0.155 0.000 1.021 112 N CA 1.336 54.301 53.050 -0.141 0.000 0.887 112 N CB -0.240 38.166 38.487 -0.134 0.000 0.974 112 N HN 0.483 nan 8.380 nan 0.000 0.437 113 A N 0.893 123.548 122.820 -0.274 0.000 1.972 113 A HA -0.085 4.235 4.320 0.001 0.000 0.219 113 A C 2.113 179.603 177.584 -0.157 0.000 1.169 113 A CA 1.594 53.450 52.037 -0.302 0.000 0.635 113 A CB -0.446 18.148 19.000 -0.676 0.000 0.810 113 A HN 0.215 nan 8.150 nan 0.000 0.446 114 V N -3.711 116.151 119.914 -0.087 0.000 3.647 114 V HA 0.190 4.310 4.120 0.001 0.000 0.279 114 V C 1.503 177.641 176.094 0.074 0.000 1.314 114 V CA 0.780 63.116 62.300 0.061 0.000 1.125 114 V CB -0.386 31.565 31.823 0.214 0.000 0.907 114 V HN 0.385 nan 8.190 nan 0.000 0.434 115 K N 1.822 122.241 120.400 0.032 0.000 2.063 115 K HA -0.040 4.281 4.320 0.001 0.000 0.208 115 K C 1.105 177.728 176.600 0.038 0.000 1.048 115 K CA 1.923 58.232 56.287 0.037 0.000 0.928 115 K CB -0.113 32.394 32.500 0.011 0.000 0.713 115 K HN 0.801 nan 8.250 nan 0.000 0.442 116 T N -4.077 110.496 114.554 0.032 0.000 2.883 116 T HA 0.256 4.607 4.350 0.001 0.000 0.296 116 T C -2.536 172.187 174.700 0.037 0.000 1.117 116 T CA -1.991 60.128 62.100 0.032 0.000 1.006 116 T CB 1.964 70.845 68.868 0.022 0.000 1.191 116 T HN -0.294 nan 8.240 nan 0.000 0.508 117 P HA -0.115 nan 4.420 nan 0.000 0.216 117 P C 1.534 178.854 177.300 0.034 0.000 1.154 117 P CA 1.942 65.062 63.100 0.033 0.000 0.865 117 P CB -0.181 31.535 31.700 0.025 0.000 0.789 118 A N -0.525 122.312 122.820 0.028 0.000 1.930 118 A HA -0.114 4.207 4.320 0.001 0.000 0.215 118 A C 2.344 179.949 177.584 0.035 0.000 1.176 118 A CA 1.863 53.916 52.037 0.027 0.000 0.632 118 A CB -1.421 17.590 19.000 0.018 0.000 0.819 118 A HN 0.320 nan 8.150 nan 0.000 0.445 119 S N -0.075 115.646 115.700 0.034 0.000 2.406 119 S HA -0.119 4.351 4.470 0.001 0.000 0.228 119 S C 1.996 176.648 174.600 0.086 0.000 1.020 119 S CA 0.966 59.189 58.200 0.039 0.000 0.965 119 S CB -0.423 62.781 63.200 0.008 0.000 0.798 119 S HN 0.581 nan 8.310 nan 0.000 0.488 120 R N 1.454 122.007 120.500 0.089 0.000 2.066 120 R HA 0.099 4.439 4.340 0.001 0.000 0.232 120 R C 2.804 179.178 176.300 0.124 0.000 1.131 120 R CA 1.278 57.462 56.100 0.140 0.000 0.955 120 R CB -0.830 29.533 30.300 0.105 0.000 0.851 120 R HN 0.565 nan 8.270 nan 0.000 0.432 121 A N 1.650 124.512 122.820 0.070 0.000 1.902 121 A HA -0.225 4.095 4.320 0.001 0.000 0.217 121 A C 2.099 179.706 177.584 0.038 0.000 1.181 121 A CA 1.597 53.658 52.037 0.040 0.000 0.623 121 A CB -0.388 18.627 19.000 0.026 0.000 0.818 121 A HN 0.244 nan 8.150 nan 0.000 0.443 122 K N -1.624 118.811 120.400 0.058 0.000 2.057 122 K HA -0.156 4.165 4.320 0.001 0.000 0.206 122 K C 1.851 178.504 176.600 0.087 0.000 1.050 122 K CA 1.616 57.937 56.287 0.056 0.000 0.935 122 K CB -0.346 32.185 32.500 0.053 0.000 0.715 122 K HN 0.376 nan 8.250 nan 0.000 0.439 123 F N 1.604 121.539 119.950 -0.025 0.000 2.075 123 F HA -0.119 4.408 4.527 0.001 0.000 0.297 123 F C 2.065 177.858 175.800 -0.012 0.000 1.113 123 F CA 1.511 59.491 58.000 -0.034 0.000 1.218 123 F CB -0.934 38.036 39.000 -0.049 0.000 0.984 123 F HN 0.104 nan 8.300 nan 0.000 0.472 124 A N 0.214 122.898 122.820 -0.228 0.000 1.892 124 A HA -0.310 4.010 4.320 0.001 0.000 0.218 124 A C 2.184 179.624 177.584 -0.240 0.000 1.188 124 A CA 2.204 54.050 52.037 -0.319 0.000 0.631 124 A CB -1.128 17.804 19.000 -0.113 0.000 0.822 124 A HN 0.657 nan 8.150 nan 0.000 0.447 125 Q N -0.184 119.541 119.800 -0.125 0.000 2.096 125 Q HA -0.173 4.167 4.340 0.001 0.000 0.204 125 Q C 2.509 178.457 176.000 -0.087 0.000 0.982 125 Q CA 2.074 57.828 55.803 -0.082 0.000 0.850 125 Q CB -0.293 28.422 28.738 -0.038 0.000 0.901 125 Q HN 0.901 nan 8.270 nan 0.000 0.422 126 S N -0.388 115.254 115.700 -0.097 0.000 2.399 126 S HA -0.162 4.309 4.470 0.001 0.000 0.231 126 S C 2.155 176.705 174.600 -0.084 0.000 1.022 126 S CA 1.106 59.270 58.200 -0.060 0.000 0.983 126 S CB -0.675 62.519 63.200 -0.009 0.000 0.803 126 S HN 0.403 nan 8.310 nan 0.000 0.480 127 C N 1.187 120.356 119.300 -0.218 0.000 2.436 127 C HA 0.031 4.491 4.460 0.001 0.000 0.277 127 C C 2.819 177.833 174.990 0.041 0.000 1.241 127 C CA 0.692 59.651 59.018 -0.099 0.000 1.721 127 C CB -1.428 26.120 27.740 -0.321 0.000 2.043 127 C HN 0.533 nan 8.230 nan 0.000 0.472 128 V N 0.732 120.616 119.914 -0.051 0.000 2.343 128 V HA -0.219 3.902 4.120 0.001 0.000 0.247 128 V C 2.682 178.759 176.094 -0.029 0.000 1.051 128 V CA 1.775 64.046 62.300 -0.049 0.000 1.036 128 V CB -0.714 31.054 31.823 -0.092 0.000 0.654 128 V HN 0.473 nan 8.190 nan 0.000 0.451 129 R N -0.445 120.043 120.500 -0.021 0.000 2.083 129 R HA -0.143 4.197 4.340 0.001 0.000 0.237 129 R C 2.275 178.599 176.300 0.039 0.000 1.137 129 R CA 1.670 57.769 56.100 -0.003 0.000 0.951 129 R CB -0.368 29.935 30.300 0.005 0.000 0.851 129 R HN 0.377 nan 8.270 nan 0.000 0.434 130 I N 0.755 121.360 120.570 0.059 0.000 2.226 130 I HA -0.301 3.869 4.170 0.001 0.000 0.245 130 I C 2.520 178.697 176.117 0.100 0.000 1.100 130 I CA 1.214 62.578 61.300 0.106 0.000 1.374 130 I CB -0.779 37.159 38.000 -0.103 0.000 1.057 130 I HN 0.326 nan 8.210 nan 0.000 0.413 131 M N 0.577 120.218 119.600 0.068 0.000 2.082 131 M HA -0.262 4.219 4.480 0.001 0.000 0.258 131 M C 2.261 178.640 176.300 0.132 0.000 1.071 131 M CA 1.938 57.373 55.300 0.225 0.000 1.103 131 M CB -0.166 32.589 32.600 0.258 0.000 1.307 131 M HN 0.016 nan 8.290 nan 0.000 0.409 132 K N 0.120 120.530 120.400 0.016 0.000 2.097 132 K HA -0.163 4.158 4.320 0.001 0.000 0.205 132 K C 1.606 178.179 176.600 -0.045 0.000 1.050 132 K CA 1.621 57.892 56.287 -0.026 0.000 0.938 132 K CB -0.882 31.581 32.500 -0.060 0.000 0.718 132 K HN 0.462 nan 8.250 nan 0.000 0.442 133 D N -0.403 119.970 120.400 -0.045 0.000 2.178 133 D HA -0.155 4.486 4.640 0.001 0.000 0.202 133 D C 1.272 177.341 176.300 -0.386 0.000 0.974 133 D CA 1.194 55.076 54.000 -0.197 0.000 0.841 133 D CB 0.095 40.775 40.800 -0.200 0.000 0.953 133 D HN 0.212 nan 8.370 nan 0.000 0.478 134 Y N -1.254 118.970 120.300 -0.128 0.000 2.458 134 Y HA 0.340 4.890 4.550 0.001 0.000 0.254 134 Y C 1.808 177.473 175.900 -0.391 0.000 1.120 134 Y CA 0.444 58.383 58.100 -0.268 0.000 1.282 134 Y CB 0.988 39.262 38.460 -0.310 0.000 1.109 134 Y HN 0.078 nan 8.280 nan 0.000 0.526 135 G N -0.508 108.198 108.800 -0.156 0.000 2.131 135 G HA2 -0.251 3.710 3.960 0.001 0.000 0.201 135 G HA3 -0.251 3.710 3.960 0.001 0.000 0.201 135 G C -0.155 174.713 174.900 -0.053 0.000 1.000 135 G CA -0.617 44.416 45.100 -0.113 0.000 0.680 135 G HN 0.083 nan 8.290 nan 0.000 0.514 136 F N 0.791 120.825 119.950 0.141 0.000 2.406 136 F HA 0.442 4.969 4.527 0.001 0.000 0.327 136 F C 1.364 177.321 175.800 0.261 0.000 1.153 136 F CA -0.321 57.807 58.000 0.214 0.000 1.218 136 F CB 0.675 39.866 39.000 0.317 0.000 1.215 136 F HN -0.025 nan 8.300 nan 0.000 0.570 137 D N 0.227 120.933 120.400 0.510 0.000 2.369 137 D HA 0.281 4.922 4.640 0.001 0.000 0.211 137 D C 0.729 177.293 176.300 0.440 0.000 1.077 137 D CA 0.487 54.745 54.000 0.430 0.000 0.842 137 D CB 0.799 41.745 40.800 0.243 0.000 0.947 137 D HN 0.624 nan 8.370 nan 0.000 0.509 138 G N -0.473 108.547 108.800 0.368 0.000 2.349 138 G HA2 0.373 4.333 3.960 0.001 0.000 0.294 138 G HA3 0.373 4.333 3.960 0.001 0.000 0.294 138 G C -1.860 173.031 174.900 -0.015 0.000 1.380 138 G CA -0.549 44.681 45.100 0.215 0.000 0.811 138 G HN -0.071 nan 8.290 nan 0.000 0.519 139 V N 0.340 120.153 119.914 -0.169 0.000 2.604 139 V HA 0.670 4.790 4.120 0.001 0.000 0.305 139 V C -1.116 174.799 176.094 -0.298 0.000 1.043 139 V CA -0.483 61.508 62.300 -0.514 0.000 0.888 139 V CB 1.950 33.493 31.823 -0.467 0.000 0.995 139 V HN 0.897 nan 8.190 nan 0.000 0.429 140 D N 3.465 123.658 120.400 -0.344 0.000 2.492 140 D HA 0.491 5.131 4.640 0.001 0.000 0.248 140 D C -0.932 175.378 176.300 0.017 0.000 1.101 140 D CA -0.412 53.535 54.000 -0.087 0.000 0.840 140 D CB 1.195 41.978 40.800 -0.029 0.000 1.209 140 D HN 0.276 nan 8.370 nan 0.000 0.524 141 I N 3.353 123.999 120.570 0.126 0.000 2.312 141 I HA 0.235 4.405 4.170 0.001 0.000 0.290 141 I C -0.135 176.158 176.117 0.292 0.000 1.008 141 I CA -0.473 60.979 61.300 0.254 0.000 1.226 141 I CB 1.220 39.428 38.000 0.346 0.000 1.371 141 I HN 0.485 nan 8.210 nan 0.000 0.468 142 D N 7.306 127.869 120.400 0.272 0.000 2.683 142 D HA 0.093 4.733 4.640 0.001 0.000 0.309 142 D C -0.872 175.431 176.300 0.005 0.000 1.238 142 D CA -0.306 53.782 54.000 0.147 0.000 0.936 142 D CB 0.284 41.189 40.800 0.175 0.000 1.001 142 D HN 0.369 nan 8.370 nan 0.000 0.505 143 W N 2.719 123.904 121.300 -0.192 0.000 2.335 143 W HA 0.421 5.082 4.660 0.001 0.000 0.307 143 W C -0.998 175.183 176.519 -0.563 0.000 1.117 143 W CA -0.966 56.116 57.345 -0.439 0.000 1.228 143 W CB 0.591 29.875 29.460 -0.294 0.000 1.240 143 W HN 0.168 nan 8.180 nan 0.000 0.468 144 Q N 6.578 126.149 119.800 -0.381 0.000 2.508 144 Q HA 0.340 4.680 4.340 0.001 0.000 0.247 144 Q C -1.628 174.057 176.000 -0.526 0.000 1.047 144 Q CA -0.288 54.761 55.803 -1.256 0.000 0.783 144 Q CB 1.353 29.280 28.738 -1.352 0.000 1.172 144 Q HN 0.417 nan 8.270 nan 0.000 0.515 145 Y N 0.407 120.666 120.300 -0.068 0.000 2.581 145 Y HA 0.396 4.946 4.550 0.001 0.000 0.337 145 Y C -2.430 172.986 175.900 -0.808 0.000 1.108 145 Y CA -2.685 55.127 58.100 -0.479 0.000 1.033 145 Y CB 1.383 39.769 38.460 -0.124 0.000 1.318 145 Y HN 0.362 nan 8.280 nan 0.000 0.459 146 P HA 0.028 nan 4.420 nan 0.000 0.268 146 P C -0.864 176.199 177.300 -0.395 0.000 1.205 146 P CA -0.043 62.281 63.100 -1.292 0.000 0.771 146 P CB 0.986 31.603 31.700 -1.806 0.000 0.858 147 Q N 1.422 121.138 119.800 -0.140 0.000 2.317 147 Q HA 0.223 4.563 4.340 0.001 0.000 0.229 147 Q C 1.682 177.657 176.000 -0.043 0.000 0.984 147 Q CA -0.309 55.476 55.803 -0.030 0.000 0.911 147 Q CB 0.814 29.577 28.738 0.041 0.000 1.217 147 Q HN 0.508 nan 8.270 nan 0.000 0.501 148 A N 1.607 124.411 122.820 -0.028 0.000 1.915 148 A HA -0.298 4.022 4.320 0.001 0.000 0.220 148 A C 1.984 179.566 177.584 -0.003 0.000 1.198 148 A CA 2.701 54.725 52.037 -0.021 0.000 0.647 148 A CB -0.957 18.024 19.000 -0.032 0.000 0.825 148 A HN 0.826 nan 8.150 nan 0.000 0.456 149 A N -0.765 122.060 122.820 0.009 0.000 2.070 149 A HA -0.092 4.228 4.320 0.001 0.000 0.220 149 A C 1.738 179.348 177.584 0.043 0.000 1.159 149 A CA 1.628 53.681 52.037 0.026 0.000 0.656 149 A CB -0.403 18.616 19.000 0.033 0.000 0.800 149 A HN 0.689 nan 8.150 nan 0.000 0.453 150 E N -0.671 119.552 120.200 0.038 0.000 2.472 150 E HA 0.091 4.441 4.350 0.001 0.000 0.196 150 E C 1.502 178.134 176.600 0.053 0.000 1.033 150 E CA 0.241 56.684 56.400 0.073 0.000 0.886 150 E CB 0.197 29.971 29.700 0.125 0.000 0.944 150 E HN 0.363 nan 8.360 nan 0.000 0.492 151 V N 1.818 121.741 119.914 0.014 0.000 2.343 151 V HA -0.264 3.856 4.120 0.001 0.000 0.247 151 V C 1.565 177.746 176.094 0.146 0.000 1.051 151 V CA 1.972 64.309 62.300 0.063 0.000 1.036 151 V CB -0.340 31.513 31.823 0.051 0.000 0.654 151 V HN 0.240 nan 8.190 nan 0.000 0.451 152 D N 0.794 121.254 120.400 0.100 0.000 2.144 152 D HA -0.115 4.526 4.640 0.001 0.000 0.199 152 D C 2.204 178.570 176.300 0.110 0.000 0.984 152 D CA 1.634 55.688 54.000 0.090 0.000 0.834 152 D CB -0.567 40.270 40.800 0.062 0.000 0.955 152 D HN 0.486 nan 8.370 nan 0.000 0.465 153 G N -0.119 108.761 108.800 0.135 0.000 2.408 153 G HA2 -0.251 3.709 3.960 0.001 0.000 0.217 153 G HA3 -0.251 3.709 3.960 0.001 0.000 0.217 153 G C 1.446 176.475 174.900 0.215 0.000 1.150 153 G CA 0.145 45.335 45.100 0.151 0.000 0.776 153 G HN 0.200 nan 8.290 nan 0.000 0.542 154 F N 1.589 121.586 119.950 0.078 0.000 2.075 154 F HA -0.014 4.513 4.527 0.001 0.000 0.297 154 F C 2.493 178.331 175.800 0.063 0.000 1.113 154 F CA 1.018 59.070 58.000 0.087 0.000 1.218 154 F CB -0.390 38.588 39.000 -0.037 0.000 0.984 154 F HN 0.094 nan 8.300 nan 0.000 0.472 155 I N 0.354 120.957 120.570 0.055 0.000 2.091 155 I HA -0.382 3.788 4.170 0.001 0.000 0.239 155 I C 2.697 178.777 176.117 -0.061 0.000 1.061 155 I CA 1.579 62.841 61.300 -0.064 0.000 1.317 155 I CB -1.104 36.910 38.000 0.023 0.000 1.031 155 I HN 0.233 nan 8.210 nan 0.000 0.401 156 A N 0.566 123.391 122.820 0.009 0.000 1.978 156 A HA -0.206 4.114 4.320 0.001 0.000 0.220 156 A C 2.488 180.080 177.584 0.012 0.000 1.170 156 A CA 2.020 54.066 52.037 0.015 0.000 0.636 156 A CB -0.808 18.217 19.000 0.041 0.000 0.810 156 A HN 0.499 nan 8.150 nan 0.000 0.448 157 A N -0.428 122.408 122.820 0.026 0.000 1.898 157 A HA 0.042 4.362 4.320 0.001 0.000 0.216 157 A C 2.136 179.714 177.584 -0.009 0.000 1.181 157 A CA 1.359 53.438 52.037 0.071 0.000 0.620 157 A CB -0.508 18.601 19.000 0.181 0.000 0.819 157 A HN 0.465 nan 8.150 nan 0.000 0.442 158 L N -0.868 120.268 121.223 -0.144 0.000 2.093 158 L HA -0.229 4.111 4.340 0.001 0.000 0.208 158 L C 2.839 179.651 176.870 -0.097 0.000 1.085 158 L CA 1.410 56.145 54.840 -0.175 0.000 0.755 158 L CB -0.522 41.341 42.059 -0.327 0.000 0.904 158 L HN 0.463 nan 8.230 nan 0.000 0.435 159 Q N -0.433 119.322 119.800 -0.074 0.000 2.124 159 Q HA -0.254 4.086 4.340 0.001 0.000 0.202 159 Q C 2.077 178.060 176.000 -0.028 0.000 0.977 159 Q CA 1.554 57.332 55.803 -0.042 0.000 0.850 159 Q CB -0.036 28.686 28.738 -0.027 0.000 0.901 159 Q HN 0.302 nan 8.270 nan 0.000 0.429 160 E N 0.874 121.063 120.200 -0.019 0.000 2.152 160 E HA -0.091 4.259 4.350 0.001 0.000 0.192 160 E C 1.547 178.129 176.600 -0.030 0.000 0.983 160 E CA 0.801 57.194 56.400 -0.011 0.000 0.818 160 E CB -0.025 29.681 29.700 0.010 0.000 0.758 160 E HN 0.341 nan 8.360 nan 0.000 0.467 161 I N 0.039 120.581 120.570 -0.046 0.000 2.286 161 I HA -0.179 3.992 4.170 0.001 0.000 0.245 161 I C 2.433 178.522 176.117 -0.047 0.000 1.104 161 I CA 0.847 62.103 61.300 -0.072 0.000 1.397 161 I CB -0.245 37.696 38.000 -0.099 0.000 1.072 161 I HN 0.079 nan 8.210 nan 0.000 0.417 162 R N 1.189 121.665 120.500 -0.039 0.000 2.094 162 R HA -0.238 4.103 4.340 0.001 0.000 0.239 162 R C 2.342 178.637 176.300 -0.008 0.000 1.137 162 R CA 2.694 58.781 56.100 -0.022 0.000 0.943 162 R CB -1.423 28.860 30.300 -0.028 0.000 0.850 162 R HN 0.340 nan 8.270 nan 0.000 0.433 163 T N -0.718 113.829 114.554 -0.011 0.000 2.915 163 T HA -0.004 4.346 4.350 0.001 0.000 0.269 163 T C 1.774 176.474 174.700 -0.001 0.000 1.071 163 T CA 1.292 63.391 62.100 -0.003 0.000 1.132 163 T CB -0.113 68.752 68.868 -0.004 0.000 0.878 163 T HN 0.285 nan 8.240 nan 0.000 0.479 164 L N -0.052 121.163 121.223 -0.012 0.000 2.179 164 L HA 0.178 4.519 4.340 0.001 0.000 0.208 164 L C 2.581 179.447 176.870 -0.007 0.000 1.096 164 L CA 0.607 55.437 54.840 -0.017 0.000 0.779 164 L CB -0.343 41.692 42.059 -0.041 0.000 0.922 164 L HN 0.289 nan 8.230 nan 0.000 0.443 165 L N -0.309 120.917 121.223 0.004 0.000 2.109 165 L HA -0.149 4.191 4.340 0.001 0.000 0.207 165 L C 2.231 179.177 176.870 0.126 0.000 1.086 165 L CA 0.841 55.712 54.840 0.051 0.000 0.760 165 L CB -0.455 41.644 42.059 0.067 0.000 0.910 165 L HN 0.320 nan 8.230 nan 0.000 0.437 166 N N 0.138 118.884 118.700 0.077 0.000 2.166 166 N HA -0.204 4.536 4.740 0.001 0.000 0.186 166 N C 2.123 177.677 175.510 0.073 0.000 1.019 166 N CA 1.679 54.772 53.050 0.073 0.000 0.856 166 N CB -0.433 38.076 38.487 0.036 0.000 0.993 166 N HN 0.424 nan 8.380 nan 0.000 0.426 167 Q N 0.719 120.552 119.800 0.055 0.000 2.079 167 Q HA -0.052 4.288 4.340 0.001 0.000 0.200 167 Q C 2.075 178.118 176.000 0.073 0.000 0.974 167 Q CA 1.716 57.547 55.803 0.047 0.000 0.840 167 Q CB -0.859 27.894 28.738 0.025 0.000 0.898 167 Q HN 0.351 nan 8.270 nan 0.000 0.430 168 Q N -0.039 119.816 119.800 0.091 0.000 2.170 168 Q HA -0.080 4.260 4.340 0.001 0.000 0.203 168 Q C 2.117 178.302 176.000 0.309 0.000 0.976 168 Q CA 2.183 58.063 55.803 0.128 0.000 0.858 168 Q CB -0.577 28.155 28.738 -0.010 0.000 0.907 168 Q HN 0.684 nan 8.270 nan 0.000 0.433 169 T N 0.664 115.415 114.554 0.329 0.000 2.708 169 T HA -0.097 4.253 4.350 0.001 0.000 0.266 169 T C 1.484 176.237 174.700 0.087 0.000 1.037 169 T CA 1.220 63.436 62.100 0.193 0.000 1.146 169 T CB -0.111 68.808 68.868 0.085 0.000 0.865 169 T HN 0.185 nan 8.240 nan 0.000 0.435 170 I N 1.776 122.391 120.570 0.075 0.000 2.142 170 I HA -0.124 4.046 4.170 0.001 0.000 0.240 170 I C 2.692 178.838 176.117 0.049 0.000 1.078 170 I CA 1.524 62.850 61.300 0.043 0.000 1.343 170 I CB -2.009 36.011 38.000 0.033 0.000 1.046 170 I HN 0.233 nan 8.210 nan 0.000 0.405 171 T N 1.091 115.683 114.554 0.064 0.000 2.721 171 T HA -0.189 4.162 4.350 0.001 0.000 0.268 171 T C 1.214 175.953 174.700 0.065 0.000 1.038 171 T CA 1.714 63.848 62.100 0.057 0.000 1.145 171 T CB -0.250 68.651 68.868 0.055 0.000 0.858 171 T HN 0.306 nan 8.240 nan 0.000 0.459 172 D N 0.029 120.492 120.400 0.105 0.000 2.339 172 D HA 0.245 4.885 4.640 0.001 0.000 0.217 172 D C 1.428 177.753 176.300 0.043 0.000 1.050 172 D CA 0.428 54.487 54.000 0.099 0.000 0.856 172 D CB -0.162 40.760 40.800 0.204 0.000 0.922 172 D HN 0.465 nan 8.370 nan 0.000 0.518 173 G N 1.964 110.777 108.800 0.022 0.000 2.273 173 G HA2 -0.322 3.639 3.960 0.001 0.000 0.280 173 G HA3 -0.322 3.639 3.960 0.001 0.000 0.280 173 G C 0.782 175.658 174.900 -0.039 0.000 1.047 173 G CA -0.198 44.898 45.100 -0.006 0.000 0.869 173 G HN 0.192 nan 8.290 nan 0.000 0.502 174 R N -0.660 119.793 120.500 -0.077 0.000 2.568 174 R HA 0.173 4.513 4.340 0.001 0.000 0.288 174 R C 1.965 178.174 176.300 -0.150 0.000 1.077 174 R CA 0.124 56.123 56.100 -0.169 0.000 1.102 174 R CB 0.168 30.227 30.300 -0.401 0.000 1.278 174 R HN 0.556 nan 8.270 nan 0.000 0.560 175 Q N 0.351 120.101 119.800 -0.084 0.000 2.181 175 Q HA -0.087 4.253 4.340 0.001 0.000 0.205 175 Q C 2.019 177.981 176.000 -0.064 0.000 0.980 175 Q CA 2.058 57.823 55.803 -0.064 0.000 0.862 175 Q CB -0.173 28.543 28.738 -0.037 0.000 0.905 175 Q HN 0.347 nan 8.270 nan 0.000 0.429 176 A N -0.471 122.312 122.820 -0.063 0.000 1.969 176 A HA -0.014 4.306 4.320 0.001 0.000 0.218 176 A C 0.914 178.460 177.584 -0.064 0.000 1.169 176 A CA 0.797 52.803 52.037 -0.052 0.000 0.635 176 A CB 0.108 19.081 19.000 -0.044 0.000 0.810 176 A HN 0.298 nan 8.150 nan 0.000 0.445 177 L N 0.118 121.281 121.223 -0.100 0.000 2.475 177 L HA 0.414 4.754 4.340 0.001 0.000 0.253 177 L C -2.937 173.815 176.870 -0.197 0.000 1.483 177 L CA -2.015 52.755 54.840 -0.117 0.000 0.869 177 L CB 1.467 43.460 42.059 -0.109 0.000 1.086 177 L HN -0.131 nan 8.230 nan 0.000 0.514 178 P HA 0.040 nan 4.420 nan 0.000 0.267 178 P C -1.044 176.162 177.300 -0.157 0.000 1.200 178 P CA 0.258 63.243 63.100 -0.192 0.000 0.772 178 P CB 0.157 31.813 31.700 -0.074 0.000 0.855 179 Y N 1.093 121.414 120.300 0.035 0.000 2.610 179 Y HA 0.080 4.631 4.550 0.001 0.000 0.332 179 Y C 1.381 177.306 175.900 0.042 0.000 1.201 179 Y CA 0.853 58.983 58.100 0.051 0.000 1.465 179 Y CB -0.029 38.463 38.460 0.053 0.000 1.283 179 Y HN 0.319 nan 8.280 nan 0.000 0.563 180 Q N 2.019 121.949 119.800 0.217 0.000 2.351 180 Q HA 0.662 5.003 4.340 0.001 0.000 0.273 180 Q C -1.620 174.437 176.000 0.094 0.000 1.077 180 Q CA -1.385 54.502 55.803 0.140 0.000 0.843 180 Q CB 2.798 31.645 28.738 0.183 0.000 1.367 180 Q HN 0.534 nan 8.270 nan 0.000 0.449 181 L N 0.825 122.078 121.223 0.051 0.000 2.409 181 L HA 0.648 4.989 4.340 0.001 0.000 0.272 181 L C -1.057 175.829 176.870 0.026 0.000 0.980 181 L CA 0.097 54.942 54.840 0.008 0.000 0.826 181 L CB 2.145 44.193 42.059 -0.018 0.000 1.268 181 L HN 0.838 nan 8.230 nan 0.000 0.407 182 T N 2.700 117.273 114.554 0.031 0.000 2.812 182 T HA 0.819 5.170 4.350 0.001 0.000 0.294 182 T C -0.480 174.270 174.700 0.084 0.000 1.159 182 T CA -0.496 61.649 62.100 0.075 0.000 1.008 182 T CB 1.456 70.390 68.868 0.110 0.000 1.289 182 T HN 0.922 nan 8.240 nan 0.000 0.514 183 I N -2.026 118.622 120.570 0.130 0.000 3.095 183 I HA 0.909 5.079 4.170 0.001 0.000 0.310 183 I C -1.058 175.182 176.117 0.204 0.000 1.196 183 I CA -1.856 59.551 61.300 0.180 0.000 0.985 183 I CB 1.813 39.934 38.000 0.202 0.000 1.250 183 I HN 0.985 nan 8.210 nan 0.000 0.446 184 A N 2.173 125.127 122.820 0.223 0.000 2.292 184 A HA 0.849 5.170 4.320 0.001 0.000 0.319 184 A C -0.006 177.689 177.584 0.185 0.000 1.206 184 A CA -0.177 51.978 52.037 0.198 0.000 0.835 184 A CB 0.743 19.837 19.000 0.158 0.000 1.164 184 A HN 1.126 nan 8.150 nan 0.000 0.505 185 G N 0.477 109.391 108.800 0.190 0.000 2.432 185 G HA2 0.652 4.612 3.960 0.001 0.000 0.331 185 G HA3 0.652 4.612 3.960 0.001 0.000 0.331 185 G C 0.164 175.239 174.900 0.292 0.000 1.170 185 G CA -0.038 45.236 45.100 0.291 0.000 0.943 185 G HN 1.407 nan 8.290 nan 0.000 0.483 186 A N -0.275 122.758 122.820 0.356 0.000 2.520 186 A HA 0.500 4.821 4.320 0.001 0.000 0.235 186 A C 1.433 179.067 177.584 0.084 0.000 1.065 186 A CA 0.652 52.748 52.037 0.099 0.000 0.764 186 A CB 0.426 19.227 19.000 -0.331 0.000 1.002 186 A HN 1.488 nan 8.150 nan 0.000 0.502 187 G N 0.927 109.730 108.800 0.006 0.000 3.159 187 G HA2 0.460 4.421 3.960 0.001 0.000 0.232 187 G HA3 0.460 4.421 3.960 0.001 0.000 0.232 187 G C 0.478 175.388 174.900 0.017 0.000 1.116 187 G CA 0.655 45.749 45.100 -0.010 0.000 0.767 187 G HN 1.208 nan 8.290 nan 0.000 0.547 188 G N -1.363 107.454 108.800 0.027 0.000 2.519 188 G HA2 0.531 4.491 3.960 0.001 0.000 0.307 188 G HA3 0.531 4.491 3.960 0.001 0.000 0.307 188 G C 0.821 175.700 174.900 -0.035 0.000 1.266 188 G CA 0.288 45.423 45.100 0.059 0.000 0.970 188 G HN 0.254 nan 8.290 nan 0.000 0.481 189 A N 0.766 123.515 122.820 -0.118 0.000 1.933 189 A HA 0.055 4.375 4.320 0.001 0.000 0.218 189 A C 1.956 179.270 177.584 -0.450 0.000 1.175 189 A CA 1.507 53.308 52.037 -0.394 0.000 0.628 189 A CB -0.593 18.103 19.000 -0.507 0.000 0.814 189 A HN 0.596 nan 8.150 nan 0.000 0.444 190 F N -1.061 118.787 119.950 -0.169 0.000 2.043 190 F HA -0.211 4.316 4.527 0.001 0.000 0.297 190 F C 2.017 177.504 175.800 -0.521 0.000 1.118 190 F CA 2.024 59.839 58.000 -0.307 0.000 1.202 190 F CB -0.844 37.986 39.000 -0.282 0.000 0.965 190 F HN 0.247 nan 8.300 nan 0.000 0.482 191 F N -1.431 118.443 119.950 -0.127 0.000 2.569 191 F HA 0.047 4.575 4.527 0.001 0.000 0.295 191 F C 1.997 177.443 175.800 -0.591 0.000 1.115 191 F CA 0.107 57.896 58.000 -0.351 0.000 1.450 191 F CB -0.585 38.112 39.000 -0.506 0.000 1.107 191 F HN -0.109 nan 8.300 nan 0.000 0.563 192 L N 0.523 121.479 121.223 -0.446 0.000 2.141 192 L HA -0.157 4.183 4.340 0.001 0.000 0.209 192 L C 2.496 178.900 176.870 -0.775 0.000 1.094 192 L CA 1.921 56.327 54.840 -0.723 0.000 0.763 192 L CB -1.095 40.652 42.059 -0.520 0.000 0.908 192 L HN 0.148 nan 8.230 nan 0.000 0.437 193 S N -1.030 114.320 115.700 -0.584 0.000 2.465 193 S HA -0.210 4.260 4.470 0.001 0.000 0.241 193 S C 2.003 176.377 174.600 -0.376 0.000 1.000 193 S CA 0.881 58.781 58.200 -0.501 0.000 0.964 193 S CB -0.675 62.244 63.200 -0.469 0.000 0.763 193 S HN 0.571 nan 8.310 nan 0.000 0.512 194 R N 0.384 120.658 120.500 -0.376 0.000 2.075 194 R HA -0.054 4.286 4.340 0.001 0.000 0.232 194 R C 1.747 177.980 176.300 -0.113 0.000 1.126 194 R CA 1.840 57.822 56.100 -0.197 0.000 0.963 194 R CB -0.367 29.886 30.300 -0.078 0.000 0.858 194 R HN 0.887 nan 8.270 nan 0.000 0.435 195 Y N -4.584 115.638 120.300 -0.130 0.000 2.527 195 Y HA 0.236 4.787 4.550 0.001 0.000 0.247 195 Y C 1.424 177.291 175.900 -0.056 0.000 1.138 195 Y CA -1.241 56.802 58.100 -0.094 0.000 1.228 195 Y CB -0.640 37.757 38.460 -0.106 0.000 1.252 195 Y HN -0.112 nan 8.280 nan 0.000 0.531 196 Y N 2.855 122.879 120.300 -0.460 0.000 2.102 196 Y HA -0.348 4.202 4.550 0.001 0.000 0.280 196 Y C 2.672 178.458 175.900 -0.190 0.000 1.178 196 Y CA 2.568 60.441 58.100 -0.379 0.000 1.146 196 Y CB -0.567 37.602 38.460 -0.486 0.000 0.968 196 Y HN 0.354 nan 8.280 nan 0.000 0.504 197 S N -0.859 114.724 115.700 -0.194 0.000 2.442 197 S HA -0.158 4.312 4.470 0.001 0.000 0.236 197 S C 1.409 175.923 174.600 -0.143 0.000 1.007 197 S CA 1.392 59.455 58.200 -0.228 0.000 0.965 197 S CB -0.363 62.738 63.200 -0.164 0.000 0.773 197 S HN 0.535 nan 8.310 nan 0.000 0.504 198 K N 0.408 120.769 120.400 -0.064 0.000 2.498 198 K HA 0.435 4.755 4.320 0.001 0.000 0.207 198 K C 0.954 177.571 176.600 0.027 0.000 1.033 198 K CA -0.206 56.080 56.287 -0.001 0.000 1.138 198 K CB 0.048 32.575 32.500 0.046 0.000 0.860 198 K HN 0.254 nan 8.250 nan 0.000 0.490 199 L N 0.632 121.840 121.223 -0.025 0.000 2.081 199 L HA -0.289 4.051 4.340 0.001 0.000 0.212 199 L C 2.415 179.308 176.870 0.038 0.000 1.080 199 L CA 1.522 56.382 54.840 0.033 0.000 0.754 199 L CB -0.424 41.596 42.059 -0.065 0.000 0.893 199 L HN 0.344 nan 8.230 nan 0.000 0.433 200 A N -0.450 122.372 122.820 0.004 0.000 1.851 200 A HA -0.284 4.037 4.320 0.001 0.000 0.216 200 A C 2.145 179.743 177.584 0.023 0.000 1.195 200 A CA 1.787 53.835 52.037 0.017 0.000 0.622 200 A CB -0.612 18.394 19.000 0.011 0.000 0.831 200 A HN 0.492 nan 8.150 nan 0.000 0.444 201 Q N -0.596 119.217 119.800 0.022 0.000 2.112 201 Q HA -0.169 4.172 4.340 0.001 0.000 0.206 201 Q C 2.104 178.112 176.000 0.013 0.000 0.987 201 Q CA 1.650 57.464 55.803 0.018 0.000 0.858 201 Q CB -0.406 28.346 28.738 0.024 0.000 0.905 201 Q HN 0.755 nan 8.270 nan 0.000 0.420 202 I N -0.079 120.513 120.570 0.037 0.000 2.179 202 I HA -0.240 3.930 4.170 0.001 0.000 0.242 202 I C 2.151 178.274 176.117 0.010 0.000 1.088 202 I CA 0.931 62.248 61.300 0.028 0.000 1.357 202 I CB -0.169 37.892 38.000 0.103 0.000 1.051 202 I HN 0.037 nan 8.210 nan 0.000 0.409 203 V N 0.919 120.858 119.914 0.042 0.000 2.667 203 V HA -0.173 3.947 4.120 0.001 0.000 0.252 203 V C 2.681 178.778 176.094 0.006 0.000 1.065 203 V CA 1.394 63.717 62.300 0.039 0.000 1.083 203 V CB -0.854 31.012 31.823 0.073 0.000 0.692 203 V HN 0.457 nan 8.190 nan 0.000 0.468 204 A N 1.436 124.256 122.820 0.000 0.000 1.927 204 A HA -0.180 4.141 4.320 0.001 0.000 0.220 204 A C 0.686 178.254 177.584 -0.026 0.000 1.185 204 A CA 2.423 54.453 52.037 -0.011 0.000 0.639 204 A CB -1.757 17.238 19.000 -0.008 0.000 0.820 204 A HN 0.614 nan 8.150 nan 0.000 0.451 205 P HA 0.222 nan 4.420 nan 0.000 0.255 205 P C -0.076 177.196 177.300 -0.048 0.000 1.248 205 P CA 0.218 63.291 63.100 -0.044 0.000 0.807 205 P CB -0.028 31.639 31.700 -0.055 0.000 1.150 206 L N -0.159 121.037 121.223 -0.045 0.000 2.360 206 L HA 0.349 4.689 4.340 0.001 0.000 0.271 206 L C 1.409 178.221 176.870 -0.098 0.000 1.057 206 L CA -0.681 54.132 54.840 -0.045 0.000 0.803 206 L CB 0.870 42.925 42.059 -0.008 0.000 1.207 206 L HN -0.294 nan 8.230 nan 0.000 0.445 207 D N -0.034 120.282 120.400 -0.140 0.000 2.213 207 D HA 0.029 4.669 4.640 0.001 0.000 0.205 207 D C -0.600 175.307 176.300 -0.655 0.000 0.961 207 D CA 1.543 55.312 54.000 -0.383 0.000 0.853 207 D CB 0.464 41.060 40.800 -0.341 0.000 0.967 207 D HN 0.290 nan 8.370 nan 0.000 0.496 208 Y N -0.923 119.372 120.300 -0.010 0.000 2.624 208 Y HA 0.395 4.946 4.550 0.001 0.000 0.334 208 Y C -0.819 175.085 175.900 0.006 0.000 1.155 208 Y CA -0.987 57.103 58.100 -0.017 0.000 1.046 208 Y CB 1.908 40.329 38.460 -0.065 0.000 1.316 208 Y HN -0.307 nan 8.280 nan 0.000 0.457 209 I N 2.853 123.543 120.570 0.201 0.000 2.410 209 I HA 0.459 4.629 4.170 0.001 0.000 0.286 209 I C -1.299 174.885 176.117 0.112 0.000 1.009 209 I CA -0.683 60.704 61.300 0.145 0.000 1.111 209 I CB 0.729 38.811 38.000 0.136 0.000 1.262 209 I HN 0.597 nan 8.210 nan 0.000 0.443 210 N N 8.958 127.732 118.700 0.123 0.000 2.439 210 N HA 0.285 5.025 4.740 0.001 0.000 0.243 210 N C -0.634 174.922 175.510 0.077 0.000 1.088 210 N CA -0.182 52.933 53.050 0.108 0.000 0.940 210 N CB 1.222 39.830 38.487 0.202 0.000 1.180 210 N HN 0.577 nan 8.380 nan 0.000 0.505 211 L N 2.299 123.524 121.223 0.004 0.000 2.418 211 L HA 0.182 4.522 4.340 0.001 0.000 0.274 211 L C 1.072 177.880 176.870 -0.104 0.000 1.135 211 L CA 0.117 54.922 54.840 -0.058 0.000 0.870 211 L CB 0.196 42.169 42.059 -0.144 0.000 1.154 211 L HN 0.332 nan 8.230 nan 0.000 0.462 212 M N 3.680 123.162 119.600 -0.196 0.000 3.436 212 M HA 0.060 4.540 4.480 0.001 0.000 0.240 212 M C 0.295 176.152 176.300 -0.738 0.000 1.469 212 M CA -0.114 54.810 55.300 -0.627 0.000 1.622 212 M CB -0.362 31.932 32.600 -0.510 0.000 1.098 212 M HN 0.532 nan 8.290 nan 0.000 0.568 213 T N 0.227 114.490 114.554 -0.486 0.000 4.098 213 T HA 0.366 4.716 4.350 0.001 0.000 0.291 213 T C -0.597 174.077 174.700 -0.043 0.000 1.440 213 T CA -0.350 61.624 62.100 -0.210 0.000 1.164 213 T CB -0.990 67.838 68.868 -0.068 0.000 1.313 213 T HN 0.519 nan 8.240 nan 0.000 0.951 214 Y N -2.751 117.604 120.300 0.092 0.000 2.764 214 Y HA 0.575 5.125 4.550 0.001 0.000 0.331 214 Y C -0.210 175.775 175.900 0.142 0.000 1.280 214 Y CA -1.853 56.314 58.100 0.111 0.000 1.065 214 Y CB 0.038 38.573 38.460 0.125 0.000 1.319 214 Y HN 0.132 nan 8.280 nan 0.000 0.453 215 D N -0.137 120.523 120.400 0.433 0.000 3.012 215 D HA -0.163 4.477 4.640 0.001 0.000 0.222 215 D C 0.530 177.033 176.300 0.339 0.000 1.167 215 D CA 1.210 55.454 54.000 0.408 0.000 0.854 215 D CB -0.967 40.042 40.800 0.348 0.000 1.107 215 D HN 0.729 nan 8.370 nan 0.000 0.421 216 L N -1.492 119.872 121.223 0.235 0.000 2.610 216 L HA 0.240 4.581 4.340 0.001 0.000 0.232 216 L C 1.164 178.131 176.870 0.162 0.000 1.149 216 L CA 0.947 55.873 54.840 0.142 0.000 0.872 216 L CB -0.183 41.915 42.059 0.065 0.000 0.992 216 L HN 0.208 nan 8.230 nan 0.000 0.447 217 A N -0.700 122.276 122.820 0.260 0.000 2.539 217 A HA 0.830 5.150 4.320 0.001 0.000 0.296 217 A C -0.402 177.231 177.584 0.082 0.000 1.073 217 A CA 0.056 52.222 52.037 0.215 0.000 0.700 217 A CB 1.753 20.879 19.000 0.210 0.000 1.296 217 A HN 0.083 nan 8.150 nan 0.000 0.405 218 G N -0.332 108.233 108.800 -0.393 0.000 2.506 218 G HA2 0.611 4.571 3.960 0.001 0.000 0.292 218 G HA3 0.611 4.571 3.960 0.001 0.000 0.292 218 G C -2.631 171.566 174.900 -1.172 0.000 1.425 218 G CA -0.172 44.078 45.100 -1.417 0.000 0.788 218 G HN 0.409 nan 8.290 nan 0.000 0.490 219 P HA -0.063 nan 4.420 nan 0.000 0.222 219 P C 1.318 178.571 177.300 -0.079 0.000 1.147 219 P CA 1.407 64.268 63.100 -0.398 0.000 0.790 219 P CB -0.046 31.490 31.700 -0.273 0.000 0.780 220 W N 0.980 122.386 121.300 0.176 0.000 2.611 220 W HA 0.134 4.795 4.660 0.001 0.000 0.251 220 W C 0.417 177.042 176.519 0.176 0.000 1.265 220 W CA -0.302 57.131 57.345 0.147 0.000 1.295 220 W CB -1.477 28.028 29.460 0.075 0.000 1.129 220 W HN -0.080 nan 8.180 nan 0.000 0.630 221 E N 0.408 120.662 120.200 0.090 0.000 2.283 221 E HA 0.324 4.675 4.350 0.001 0.000 0.271 221 E C 1.482 178.239 176.600 0.262 0.000 1.031 221 E CA 0.164 56.710 56.400 0.243 0.000 0.868 221 E CB 1.065 30.908 29.700 0.239 0.000 1.094 221 E HN 0.050 nan 8.360 nan 0.000 0.401 222 K N 1.085 121.580 120.400 0.158 0.000 2.288 222 K HA 0.046 4.367 4.320 0.001 0.000 0.201 222 K C 0.665 177.300 176.600 0.058 0.000 1.048 222 K CA 0.847 57.169 56.287 0.058 0.000 0.956 222 K CB 0.159 32.656 32.500 -0.005 0.000 0.746 222 K HN 0.234 nan 8.250 nan 0.000 0.461 223 V N 2.333 122.287 119.914 0.067 0.000 2.483 223 V HA 0.250 4.370 4.120 0.001 0.000 0.297 223 V C 0.108 176.097 176.094 -0.176 0.000 1.027 223 V CA -0.679 61.605 62.300 -0.027 0.000 0.855 223 V CB 1.503 33.282 31.823 -0.074 0.000 0.995 223 V HN 0.570 nan 8.190 nan 0.000 0.424 224 T N 2.457 116.731 114.554 -0.466 0.000 2.946 224 T HA 0.256 4.606 4.350 0.001 0.000 0.312 224 T C -0.169 174.050 174.700 -0.802 0.000 1.066 224 T CA 0.152 61.550 62.100 -1.169 0.000 1.138 224 T CB 0.573 68.477 68.868 -1.607 0.000 1.014 224 T HN 0.753 nan 8.240 nan 0.000 0.544 225 N N -0.420 117.886 118.700 -0.656 0.000 3.020 225 N HA 0.192 4.932 4.740 0.001 0.000 0.248 225 N C -1.763 173.694 175.510 -0.089 0.000 1.480 225 N CA -0.804 52.084 53.050 -0.270 0.000 0.874 225 N CB 1.077 39.590 38.487 0.043 0.000 1.433 225 N HN 0.690 nan 8.380 nan 0.000 0.530 226 H N 1.480 120.657 119.070 0.178 0.000 2.819 226 H HA 0.078 4.634 4.556 0.001 0.000 0.303 226 H C 0.474 175.900 175.328 0.163 0.000 1.058 226 H CA 0.228 56.386 56.048 0.183 0.000 1.471 226 H CB 1.165 30.985 29.762 0.098 0.000 1.480 226 H HN 0.607 nan 8.280 nan 0.000 0.517 227 Q N 2.537 122.513 119.800 0.294 0.000 2.437 227 Q HA 0.050 4.391 4.340 0.001 0.000 0.210 227 Q C 0.345 176.465 176.000 0.201 0.000 0.972 227 Q CA 1.263 57.211 55.803 0.242 0.000 0.903 227 Q CB 0.550 29.432 28.738 0.241 0.000 0.967 227 Q HN 0.528 nan 8.270 nan 0.000 0.486 228 A N 0.041 122.965 122.820 0.174 0.000 2.958 228 A HA 0.661 4.981 4.320 0.001 0.000 0.214 228 A C -0.004 177.604 177.584 0.040 0.000 0.902 228 A CA -0.161 51.948 52.037 0.119 0.000 1.136 228 A CB 0.115 19.207 19.000 0.154 0.000 1.250 228 A HN 0.397 nan 8.150 nan 0.000 0.497 229 A N -0.160 122.681 122.820 0.035 0.000 2.531 229 A HA 0.390 4.711 4.320 0.001 0.000 0.236 229 A C 1.184 178.692 177.584 -0.128 0.000 1.062 229 A CA 0.450 52.450 52.037 -0.063 0.000 0.760 229 A CB 0.110 19.107 19.000 -0.004 0.000 0.995 229 A HN 1.406 nan 8.150 nan 0.000 0.501 230 L N 2.116 123.199 121.223 -0.233 0.000 2.068 230 L HA 0.317 4.658 4.340 0.001 0.000 0.204 230 L C 0.080 176.591 176.870 -0.599 0.000 1.076 230 L CA 1.611 56.159 54.840 -0.486 0.000 0.753 230 L CB -0.411 41.294 42.059 -0.590 0.000 0.910 230 L HN 0.592 nan 8.230 nan 0.000 0.439 231 F N -0.936 118.987 119.950 -0.045 0.000 2.618 231 F HA 0.659 5.187 4.527 0.001 0.000 0.332 231 F C 0.918 176.719 175.800 0.003 0.000 1.061 231 F CA -0.898 57.105 58.000 0.004 0.000 0.974 231 F CB 0.560 39.572 39.000 0.020 0.000 1.310 231 F HN -0.121 nan 8.300 nan 0.000 0.491 232 G N -0.052 108.907 108.800 0.265 0.000 2.444 232 G HA2 0.374 4.334 3.960 0.001 0.000 0.268 232 G HA3 0.374 4.334 3.960 0.001 0.000 0.268 232 G C -1.528 173.425 174.900 0.089 0.000 1.203 232 G CA -0.218 44.965 45.100 0.140 0.000 0.835 232 G HN 0.515 nan 8.290 nan 0.000 0.543 233 D N 1.455 121.882 120.400 0.045 0.000 2.427 233 D HA 0.430 5.071 4.640 0.001 0.000 0.226 233 D C 1.333 177.596 176.300 -0.062 0.000 1.076 233 D CA -0.058 53.952 54.000 0.017 0.000 0.849 233 D CB 1.304 42.154 40.800 0.083 0.000 1.052 233 D HN 0.317 nan 8.370 nan 0.000 0.515 234 A N 3.801 126.598 122.820 -0.037 0.000 2.009 234 A HA -0.193 4.128 4.320 0.001 0.000 0.222 234 A C 1.937 179.449 177.584 -0.120 0.000 1.175 234 A CA 2.238 54.239 52.037 -0.060 0.000 0.651 234 A CB -0.463 18.519 19.000 -0.030 0.000 0.815 234 A HN 0.640 nan 8.150 nan 0.000 0.459 235 A N -0.947 121.787 122.820 -0.143 0.000 2.178 235 A HA 0.469 4.790 4.320 0.001 0.000 0.211 235 A C 1.417 178.649 177.584 -0.587 0.000 1.157 235 A CA 0.842 52.754 52.037 -0.207 0.000 0.780 235 A CB -0.709 18.271 19.000 -0.033 0.000 0.828 235 A HN 0.785 nan 8.150 nan 0.000 0.476 236 G N 0.543 108.799 108.800 -0.907 0.000 2.562 236 G HA2 0.470 4.430 3.960 0.001 0.000 0.275 236 G HA3 0.470 4.430 3.960 0.001 0.000 0.275 236 G C -2.319 172.180 174.900 -0.667 0.000 1.196 236 G CA -1.251 42.907 45.100 -1.571 0.000 0.908 236 G HN 0.188 nan 8.290 nan 0.000 0.524 237 P HA 0.157 nan 4.420 nan 0.000 0.269 237 P C -0.072 177.063 177.300 -0.275 0.000 1.217 237 P CA 0.140 63.028 63.100 -0.354 0.000 0.783 237 P CB 0.782 32.273 31.700 -0.347 0.000 0.898 238 T N -1.092 113.236 114.554 -0.375 0.000 2.924 238 T HA 0.740 5.090 4.350 0.001 0.000 0.291 238 T C -0.566 173.915 174.700 -0.365 0.000 1.045 238 T CA -0.523 61.460 62.100 -0.195 0.000 1.015 238 T CB 0.937 69.748 68.868 -0.095 0.000 1.103 238 T HN 0.189 nan 8.240 nan 0.000 0.496 239 F N -0.338 119.568 119.950 -0.074 0.000 2.620 239 F HA 0.495 5.022 4.527 0.001 0.000 0.320 239 F C -0.415 175.543 175.800 0.263 0.000 1.069 239 F CA -1.704 56.358 58.000 0.104 0.000 0.953 239 F CB 1.287 40.362 39.000 0.125 0.000 1.322 239 F HN 0.728 nan 8.300 nan 0.000 0.479 240 Y N 2.327 122.867 120.300 0.399 0.000 2.496 240 Y HA 0.127 4.677 4.550 0.001 0.000 0.334 240 Y C 0.522 176.510 175.900 0.148 0.000 1.080 240 Y CA -0.262 57.982 58.100 0.239 0.000 1.355 240 Y CB 0.171 38.756 38.460 0.208 0.000 1.193 240 Y HN 0.460 nan 8.280 nan 0.000 0.523 241 N N 5.607 124.176 118.700 -0.220 0.000 2.466 241 N HA 0.058 4.798 4.740 0.001 0.000 0.263 241 N C 0.659 175.825 175.510 -0.574 0.000 1.178 241 N CA 0.632 53.457 53.050 -0.374 0.000 0.983 241 N CB 0.671 38.884 38.487 -0.457 0.000 1.331 241 N HN 0.923 nan 8.380 nan 0.000 0.500 242 A N 4.293 126.822 122.820 -0.485 0.000 2.076 242 A HA -0.129 4.191 4.320 0.001 0.000 0.220 242 A C 2.157 179.396 177.584 -0.574 0.000 1.160 242 A CA 0.848 52.656 52.037 -0.382 0.000 0.653 242 A CB -0.314 18.385 19.000 -0.502 0.000 0.801 242 A HN 0.737 nan 8.150 nan 0.000 0.455 243 L N -0.305 120.390 121.223 -0.879 0.000 2.261 243 L HA -0.218 4.123 4.340 0.001 0.000 0.216 243 L C 2.654 178.743 176.870 -1.301 0.000 1.114 243 L CA 1.613 55.664 54.840 -1.316 0.000 0.777 243 L CB -0.491 40.335 42.059 -2.055 0.000 0.910 243 L HN 0.626 nan 8.230 nan 0.000 0.440 244 R N -0.506 119.475 120.500 -0.865 0.000 2.339 244 R HA -0.067 4.274 4.340 0.001 0.000 0.199 244 R C 0.854 177.000 176.300 -0.257 0.000 1.018 244 R CA 0.696 56.568 56.100 -0.381 0.000 1.036 244 R CB -0.093 30.093 30.300 -0.191 0.000 0.899 244 R HN 0.282 nan 8.270 nan 0.000 0.473 245 E N 0.758 120.783 120.200 -0.292 0.000 2.538 245 E HA 0.243 4.594 4.350 0.001 0.000 0.207 245 E C 0.103 176.576 176.600 -0.211 0.000 1.002 245 E CA 0.085 56.388 56.400 -0.163 0.000 0.952 245 E CB 1.180 30.842 29.700 -0.063 0.000 1.031 245 E HN 0.414 nan 8.360 nan 0.000 0.476 246 A N 1.449 124.073 122.820 -0.327 0.000 2.346 246 A HA 0.178 4.499 4.320 0.001 0.000 0.252 246 A C 0.516 177.958 177.584 -0.236 0.000 1.089 246 A CA -0.349 51.507 52.037 -0.302 0.000 0.797 246 A CB 0.133 18.901 19.000 -0.386 0.000 1.047 246 A HN -0.007 nan 8.150 nan 0.000 0.494 247 N N 0.591 119.177 118.700 -0.190 0.000 3.124 247 N HA 0.260 5.001 4.740 0.001 0.000 0.284 247 N C 0.413 175.804 175.510 -0.198 0.000 1.209 247 N CA 0.166 53.126 53.050 -0.151 0.000 1.149 247 N CB -0.544 37.885 38.487 -0.097 0.000 1.434 247 N HN 0.581 nan 8.380 nan 0.000 0.529 248 L N -0.078 120.955 121.223 -0.317 0.000 2.298 248 L HA 0.290 4.630 4.340 0.001 0.000 0.209 248 L C 1.434 178.136 176.870 -0.281 0.000 1.084 248 L CA 0.395 54.910 54.840 -0.541 0.000 0.816 248 L CB -0.117 41.160 42.059 -1.304 0.000 0.967 248 L HN 0.517 nan 8.230 nan 0.000 0.460 249 G N -0.826 107.909 108.800 -0.108 0.000 2.160 249 G HA2 -0.220 3.740 3.960 0.001 0.000 0.244 249 G HA3 -0.220 3.740 3.960 0.001 0.000 0.244 249 G C -0.335 174.738 174.900 0.289 0.000 1.022 249 G CA -0.348 44.803 45.100 0.084 0.000 0.741 249 G HN 0.088 nan 8.290 nan 0.000 0.508 250 W N 0.788 122.129 121.300 0.067 0.000 2.298 250 W HA 0.744 5.404 4.660 0.001 0.000 0.358 250 W C 1.170 177.739 176.519 0.083 0.000 1.241 250 W CA -0.851 56.534 57.345 0.066 0.000 1.385 250 W CB 0.616 30.114 29.460 0.064 0.000 1.225 250 W HN 0.555 nan 8.180 nan 0.000 0.654 251 S N -0.176 115.715 115.700 0.318 0.000 2.655 251 S HA 0.052 4.522 4.470 0.001 0.000 0.265 251 S C 0.594 175.372 174.600 0.297 0.000 1.240 251 S CA -0.408 57.952 58.200 0.268 0.000 0.986 251 S CB 0.761 64.094 63.200 0.222 0.000 0.985 251 S HN 0.585 nan 8.310 nan 0.000 0.562 252 W N 1.033 122.403 121.300 0.118 0.000 2.358 252 W HA -0.060 4.600 4.660 0.001 0.000 0.303 252 W C 2.152 178.720 176.519 0.081 0.000 1.208 252 W CA 1.747 59.150 57.345 0.096 0.000 1.274 252 W CB -0.174 29.328 29.460 0.070 0.000 1.138 252 W HN 0.767 nan 8.180 nan 0.000 0.515 253 E N 0.482 120.934 120.200 0.420 0.000 2.051 253 E HA -0.229 4.121 4.350 0.001 0.000 0.192 253 E C 1.856 178.452 176.600 -0.007 0.000 0.991 253 E CA 1.999 58.537 56.400 0.230 0.000 0.799 253 E CB -0.722 29.117 29.700 0.232 0.000 0.748 253 E HN 0.558 nan 8.360 nan 0.000 0.449 254 E N 0.663 120.866 120.200 0.006 0.000 2.077 254 E HA -0.130 4.221 4.350 0.001 0.000 0.193 254 E C 2.398 178.974 176.600 -0.041 0.000 0.989 254 E CA 0.723 57.060 56.400 -0.105 0.000 0.800 254 E CB -0.165 29.431 29.700 -0.173 0.000 0.746 254 E HN 0.184 nan 8.360 nan 0.000 0.452 255 L N 0.702 121.981 121.223 0.092 0.000 2.027 255 L HA -0.161 4.179 4.340 0.001 0.000 0.206 255 L C 2.613 179.389 176.870 -0.156 0.000 1.074 255 L CA 1.324 56.240 54.840 0.126 0.000 0.745 255 L CB -0.720 41.405 42.059 0.110 0.000 0.898 255 L HN 0.165 nan 8.230 nan 0.000 0.433 256 T N -0.064 114.256 114.554 -0.389 0.000 2.746 256 T HA -0.202 4.149 4.350 0.001 0.000 0.267 256 T C 1.862 176.360 174.700 -0.336 0.000 1.039 256 T CA 1.774 63.568 62.100 -0.509 0.000 1.142 256 T CB -0.266 68.033 68.868 -0.947 0.000 0.866 256 T HN 0.449 nan 8.240 nan 0.000 0.444 257 R N 1.571 121.901 120.500 -0.283 0.000 2.092 257 R HA 0.227 4.568 4.340 0.001 0.000 0.231 257 R C 2.544 178.651 176.300 -0.323 0.000 1.119 257 R CA 1.231 57.181 56.100 -0.250 0.000 0.970 257 R CB -0.542 29.641 30.300 -0.195 0.000 0.864 257 R HN 0.319 nan 8.270 nan 0.000 0.440 258 A N 1.170 123.719 122.820 -0.452 0.000 1.897 258 A HA 0.069 4.390 4.320 0.001 0.000 0.215 258 A C 0.345 177.488 177.584 -0.736 0.000 1.181 258 A CA 0.507 52.122 52.037 -0.704 0.000 0.620 258 A CB -0.093 18.254 19.000 -1.088 0.000 0.821 258 A HN 0.334 nan 8.150 nan 0.000 0.443 259 F N 1.117 120.998 119.950 -0.114 0.000 2.371 259 F HA 0.333 4.861 4.527 0.001 0.000 0.343 259 F C -2.488 173.145 175.800 -0.279 0.000 1.150 259 F CA -3.702 54.175 58.000 -0.204 0.000 1.220 259 F CB 0.416 39.252 39.000 -0.273 0.000 1.475 259 F HN 0.012 nan 8.300 nan 0.000 0.521 260 P HA 0.088 nan 4.420 nan 0.000 0.268 260 P C -0.198 177.059 177.300 -0.072 0.000 1.205 260 P CA 0.245 63.253 63.100 -0.153 0.000 0.771 260 P CB 1.893 33.479 31.700 -0.189 0.000 0.858 261 S N 2.356 118.023 115.700 -0.056 0.000 2.546 261 S HA 0.591 5.061 4.470 0.001 0.000 0.272 261 S C -2.644 171.967 174.600 0.019 0.000 1.140 261 S CA -1.194 57.004 58.200 -0.004 0.000 0.920 261 S CB 0.801 63.890 63.200 -0.185 0.000 1.083 261 S HN 0.344 nan 8.310 nan 0.000 0.476 262 P HA 0.512 nan 4.420 nan 0.000 0.274 262 P C -0.972 176.483 177.300 0.259 0.000 1.246 262 P CA -0.307 62.893 63.100 0.167 0.000 0.795 262 P CB 0.314 32.074 31.700 0.100 0.000 1.006 263 F N -2.000 118.009 119.950 0.098 0.000 2.675 263 F HA 0.624 5.151 4.527 0.001 0.000 0.324 263 F C -0.841 175.084 175.800 0.208 0.000 1.106 263 F CA -1.431 56.648 58.000 0.132 0.000 0.970 263 F CB 0.650 39.755 39.000 0.176 0.000 1.385 263 F HN 0.123 nan 8.300 nan 0.000 0.489 264 S N 2.199 117.858 115.700 -0.068 0.000 2.430 264 S HA 0.404 4.874 4.470 0.001 0.000 0.289 264 S C -0.556 173.834 174.600 -0.349 0.000 1.143 264 S CA -0.410 57.698 58.200 -0.154 0.000 1.067 264 S CB 0.578 63.808 63.200 0.051 0.000 0.964 264 S HN 0.543 nan 8.310 nan 0.000 0.485 265 L N 5.643 126.592 121.223 -0.457 0.000 2.623 265 L HA 0.239 4.579 4.340 0.001 0.000 0.281 265 L C 0.822 177.637 176.870 -0.092 0.000 1.150 265 L CA 0.687 55.299 54.840 -0.380 0.000 0.965 265 L CB -1.078 40.675 42.059 -0.510 0.000 1.303 265 L HN 0.834 nan 8.230 nan 0.000 0.467 266 T N -0.479 114.080 114.554 0.009 0.000 2.883 266 T HA 0.452 4.802 4.350 0.001 0.000 0.296 266 T C 1.131 175.822 174.700 -0.015 0.000 1.117 266 T CA -0.649 61.459 62.100 0.012 0.000 1.006 266 T CB 1.079 69.975 68.868 0.045 0.000 1.191 266 T HN -0.059 nan 8.240 nan 0.000 0.508 267 V N 0.967 120.827 119.914 -0.089 0.000 2.287 267 V HA -0.135 3.985 4.120 0.001 0.000 0.248 267 V C 2.543 178.531 176.094 -0.176 0.000 1.053 267 V CA 2.606 64.822 62.300 -0.140 0.000 1.027 267 V CB -1.041 30.651 31.823 -0.219 0.000 0.646 267 V HN 1.113 nan 8.190 nan 0.000 0.447 268 D N 0.332 120.582 120.400 -0.249 0.000 2.144 268 D HA -0.158 4.482 4.640 0.001 0.000 0.199 268 D C 2.054 178.416 176.300 0.102 0.000 0.984 268 D CA 1.516 55.456 54.000 -0.101 0.000 0.834 268 D CB -0.142 40.664 40.800 0.010 0.000 0.955 268 D HN 0.384 nan 8.370 nan 0.000 0.465 269 A N 0.619 123.490 122.820 0.084 0.000 1.877 269 A HA 0.041 4.362 4.320 0.001 0.000 0.216 269 A C 2.465 179.940 177.584 -0.181 0.000 1.186 269 A CA 2.281 54.275 52.037 -0.072 0.000 0.620 269 A CB -1.296 17.804 19.000 0.167 0.000 0.822 269 A HN 0.356 nan 8.150 nan 0.000 0.443 270 A N -0.586 122.216 122.820 -0.029 0.000 1.883 270 A HA -0.056 4.265 4.320 0.001 0.000 0.217 270 A C 2.263 179.949 177.584 0.171 0.000 1.186 270 A CA 2.015 54.083 52.037 0.051 0.000 0.624 270 A CB -1.036 17.989 19.000 0.041 0.000 0.822 270 A HN 0.425 nan 8.150 nan 0.000 0.444 271 V N -0.124 119.852 119.914 0.104 0.000 2.307 271 V HA -0.248 3.872 4.120 0.001 0.000 0.245 271 V C 2.759 178.984 176.094 0.218 0.000 1.045 271 V CA 2.035 64.434 62.300 0.164 0.000 1.024 271 V CB -0.766 31.204 31.823 0.246 0.000 0.651 271 V HN 0.532 nan 8.190 nan 0.000 0.449 272 Q N -0.161 119.749 119.800 0.184 0.000 2.084 272 Q HA -0.232 4.108 4.340 0.001 0.000 0.202 272 Q C 2.255 178.342 176.000 0.145 0.000 0.978 272 Q CA 1.665 57.585 55.803 0.194 0.000 0.844 272 Q CB -0.486 28.417 28.738 0.275 0.000 0.898 272 Q HN 0.702 nan 8.270 nan 0.000 0.426 273 Q N -0.603 119.187 119.800 -0.017 0.000 2.135 273 Q HA -0.191 4.149 4.340 0.001 0.000 0.204 273 Q C 1.847 177.989 176.000 0.238 0.000 0.981 273 Q CA 1.439 57.258 55.803 0.027 0.000 0.856 273 Q CB -0.162 28.445 28.738 -0.218 0.000 0.902 273 Q HN 0.555 nan 8.270 nan 0.000 0.425 274 H N -0.355 118.817 119.070 0.170 0.000 2.428 274 H HA -0.013 4.543 4.556 0.001 0.000 0.296 274 H C 1.637 177.051 175.328 0.144 0.000 1.062 274 H CA 0.976 57.135 56.048 0.184 0.000 1.350 274 H CB 0.094 29.939 29.762 0.139 0.000 1.403 274 H HN 0.125 nan 8.280 nan 0.000 0.533 275 L N -0.294 121.082 121.223 0.255 0.000 2.395 275 L HA -0.061 4.279 4.340 0.001 0.000 0.218 275 L C 1.757 178.716 176.870 0.147 0.000 1.130 275 L CA 0.496 55.442 54.840 0.176 0.000 0.826 275 L CB -0.181 41.971 42.059 0.156 0.000 0.941 275 L HN 0.362 nan 8.230 nan 0.000 0.451 276 M N -1.183 118.526 119.600 0.182 0.000 2.476 276 M HA -0.046 4.435 4.480 0.001 0.000 0.262 276 M C 0.323 176.710 176.300 0.145 0.000 1.079 276 M CA 0.844 56.243 55.300 0.165 0.000 1.104 276 M CB 0.070 32.811 32.600 0.234 0.000 1.409 276 M HN 0.130 nan 8.290 nan 0.000 0.467 277 M N 1.657 121.326 119.600 0.115 0.000 2.146 277 M HA 0.200 4.681 4.480 0.001 0.000 0.357 277 M C 0.364 176.688 176.300 0.041 0.000 1.261 277 M CA -0.188 55.139 55.300 0.045 0.000 1.106 277 M CB 0.146 32.669 32.600 -0.128 0.000 1.612 277 M HN 0.114 nan 8.290 nan 0.000 0.470 278 E N 1.342 121.567 120.200 0.042 0.000 2.442 278 E HA 0.401 4.751 4.350 0.001 0.000 0.262 278 E C 1.236 177.852 176.600 0.027 0.000 1.004 278 E CA 0.427 56.846 56.400 0.032 0.000 0.928 278 E CB -0.269 29.450 29.700 0.031 0.000 0.937 278 E HN 1.056 nan 8.360 nan 0.000 0.446 279 G N 0.050 108.866 108.800 0.027 0.000 2.157 279 G HA2 -0.162 3.799 3.960 0.001 0.000 0.248 279 G HA3 -0.162 3.799 3.960 0.001 0.000 0.248 279 G C 0.313 175.233 174.900 0.033 0.000 0.979 279 G CA 0.223 45.338 45.100 0.025 0.000 0.650 279 G HN 1.438 nan 8.290 nan 0.000 0.529 280 V N 3.196 123.138 119.914 0.047 0.000 2.275 280 V HA 0.433 4.553 4.120 0.001 0.000 0.272 280 V C -1.426 174.710 176.094 0.070 0.000 1.028 280 V CA -1.337 61.005 62.300 0.070 0.000 0.810 280 V CB 1.467 33.352 31.823 0.103 0.000 1.043 280 V HN 0.297 nan 8.190 nan 0.000 0.453 281 P HA 0.147 nan 4.420 nan 0.000 0.276 281 P C 1.058 178.396 177.300 0.062 0.000 1.235 281 P CA -0.008 63.120 63.100 0.047 0.000 0.772 281 P CB 1.590 33.305 31.700 0.026 0.000 0.871 282 S N 3.225 118.963 115.700 0.062 0.000 2.387 282 S HA -0.220 4.251 4.470 0.001 0.000 0.230 282 S C 1.890 176.534 174.600 0.073 0.000 1.035 282 S CA 1.118 59.361 58.200 0.071 0.000 1.014 282 S CB -1.256 61.980 63.200 0.059 0.000 0.836 282 S HN 0.515 nan 8.310 nan 0.000 0.466 283 A N 1.483 124.339 122.820 0.060 0.000 2.125 283 A HA 0.034 4.354 4.320 0.001 0.000 0.219 283 A C 2.168 179.815 177.584 0.105 0.000 1.156 283 A CA 1.236 53.315 52.037 0.070 0.000 0.671 283 A CB -0.425 18.600 19.000 0.042 0.000 0.794 283 A HN 0.629 nan 8.150 nan 0.000 0.459 284 K N -0.825 119.627 120.400 0.086 0.000 2.379 284 K HA 0.258 4.578 4.320 0.001 0.000 0.194 284 K C -0.247 176.462 176.600 0.181 0.000 1.031 284 K CA -0.002 56.348 56.287 0.106 0.000 1.037 284 K CB 0.186 32.708 32.500 0.035 0.000 0.824 284 K HN 0.452 nan 8.250 nan 0.000 0.516 285 I N 2.087 122.736 120.570 0.131 0.000 2.416 285 I HA 0.038 4.209 4.170 0.001 0.000 0.288 285 I C -0.353 175.811 176.117 0.079 0.000 1.051 285 I CA -0.444 60.910 61.300 0.090 0.000 1.375 285 I CB 1.231 39.267 38.000 0.059 0.000 1.407 285 I HN -0.278 nan 8.210 nan 0.000 0.516 286 V N 7.585 127.524 119.914 0.042 0.000 2.448 286 V HA 0.304 4.424 4.120 0.001 0.000 0.295 286 V C 0.088 176.193 176.094 0.019 0.000 1.025 286 V CA -0.677 61.620 62.300 -0.004 0.000 0.859 286 V CB 1.741 33.507 31.823 -0.096 0.000 0.988 286 V HN 0.697 nan 8.190 nan 0.000 0.431 287 M N 4.432 124.063 119.600 0.051 0.000 2.146 287 M HA 0.527 5.008 4.480 0.001 0.000 0.352 287 M C 0.517 176.880 176.300 0.106 0.000 1.343 287 M CA -0.078 55.263 55.300 0.068 0.000 1.115 287 M CB 0.489 33.148 32.600 0.097 0.000 1.657 287 M HN 0.795 nan 8.290 nan 0.000 0.471 288 G N 4.064 112.942 108.800 0.129 0.000 2.448 288 G HA2 0.563 4.523 3.960 0.001 0.000 0.285 288 G HA3 0.563 4.523 3.960 0.001 0.000 0.285 288 G C -0.917 174.212 174.900 0.383 0.000 1.176 288 G CA -0.549 44.725 45.100 0.291 0.000 0.852 288 G HN 0.841 nan 8.290 nan 0.000 0.530 289 V N -0.818 119.357 119.914 0.435 0.000 2.925 289 V HA 0.863 4.984 4.120 0.001 0.000 0.311 289 V C -2.756 173.508 176.094 0.284 0.000 1.104 289 V CA -2.626 59.897 62.300 0.371 0.000 0.954 289 V CB 2.566 34.487 31.823 0.163 0.000 1.022 289 V HN 0.659 nan 8.190 nan 0.000 0.427 290 P HA 0.485 nan 4.420 nan 0.000 0.290 290 P C -0.834 176.642 177.300 0.293 0.000 1.275 290 P CA -0.304 62.720 63.100 -0.127 0.000 0.841 290 P CB 1.463 32.755 31.700 -0.680 0.000 1.042 291 F N 1.567 121.547 119.950 0.050 0.000 2.684 291 F HA 0.257 4.784 4.527 0.001 0.000 0.298 291 F C 0.263 176.153 175.800 0.150 0.000 1.120 291 F CA -0.506 57.530 58.000 0.060 0.000 1.332 291 F CB -0.522 38.463 39.000 -0.025 0.000 0.986 291 F HN 0.233 nan 8.300 nan 0.000 0.524 292 Y N -2.495 117.954 120.300 0.249 0.000 2.615 292 Y HA 0.869 5.419 4.550 0.001 0.000 0.341 292 Y C -0.155 175.850 175.900 0.174 0.000 1.089 292 Y CA -2.287 55.910 58.100 0.161 0.000 1.049 292 Y CB 0.870 39.404 38.460 0.123 0.000 1.296 292 Y HN -0.108 nan 8.280 nan 0.000 0.470 293 G N 0.953 109.853 108.800 0.166 0.000 2.511 293 G HA2 0.702 4.662 3.960 0.001 0.000 0.318 293 G HA3 0.702 4.662 3.960 0.001 0.000 0.318 293 G C -1.550 173.439 174.900 0.148 0.000 1.210 293 G CA -1.560 43.607 45.100 0.112 0.000 0.969 293 G HN 0.662 nan 8.290 nan 0.000 0.484 294 R N -0.217 120.357 120.500 0.123 0.000 2.437 294 R HA 0.625 4.966 4.340 0.001 0.000 0.310 294 R C -0.469 175.844 176.300 0.022 0.000 0.955 294 R CA -0.473 55.651 56.100 0.040 0.000 0.851 294 R CB 2.064 32.378 30.300 0.023 0.000 1.161 294 R HN 0.619 nan 8.270 nan 0.000 0.446 295 A N 3.548 126.317 122.820 -0.085 0.000 2.337 295 A HA 0.759 5.079 4.320 0.001 0.000 0.329 295 A C -1.144 176.493 177.584 0.088 0.000 1.146 295 A CA -0.498 51.613 52.037 0.124 0.000 0.800 295 A CB 0.642 19.722 19.000 0.134 0.000 1.220 295 A HN 0.548 nan 8.150 nan 0.000 0.472 296 F N 0.854 120.997 119.950 0.322 0.000 2.546 296 F HA 0.593 5.120 4.527 0.001 0.000 0.320 296 F C 0.543 176.289 175.800 -0.090 0.000 1.076 296 F CA -0.630 57.426 58.000 0.094 0.000 0.928 296 F CB 2.231 41.166 39.000 -0.108 0.000 1.189 296 F HN 0.693 nan 8.300 nan 0.000 0.465 297 K N -0.236 119.928 120.400 -0.395 0.000 2.238 297 K HA 0.768 5.088 4.320 0.001 0.000 0.239 297 K C 0.460 176.930 176.600 -0.216 0.000 0.987 297 K CA -0.564 55.324 56.287 -0.665 0.000 0.857 297 K CB 1.811 33.241 32.500 -1.784 0.000 1.154 297 K HN 0.907 nan 8.250 nan 0.000 0.439 298 G N 0.417 109.126 108.800 -0.151 0.000 2.273 298 G HA2 -0.246 3.714 3.960 0.001 0.000 0.280 298 G HA3 -0.246 3.714 3.960 0.001 0.000 0.280 298 G C 0.146 175.061 174.900 0.024 0.000 1.047 298 G CA 0.373 45.441 45.100 -0.052 0.000 0.869 298 G HN 0.858 nan 8.290 nan 0.000 0.502 299 V N -2.643 117.314 119.914 0.072 0.000 3.665 299 V HA 0.954 5.074 4.120 0.001 0.000 0.279 299 V C 0.712 176.847 176.094 0.068 0.000 1.000 299 V CA 0.294 62.637 62.300 0.071 0.000 0.935 299 V CB 1.519 33.402 31.823 0.099 0.000 1.240 299 V HN 1.720 nan 8.190 nan 0.000 0.418 300 S N -1.008 114.715 115.700 0.037 0.000 2.549 300 S HA 0.755 5.225 4.470 0.001 0.000 0.280 300 S C 0.100 174.715 174.600 0.026 0.000 1.109 300 S CA -0.173 58.051 58.200 0.040 0.000 0.905 300 S CB 0.949 64.143 63.200 -0.010 0.000 1.081 300 S HN 1.812 nan 8.310 nan 0.000 0.477 301 G N 0.228 109.082 108.800 0.090 0.000 2.750 301 G HA2 0.496 4.456 3.960 0.001 0.000 0.250 301 G HA3 0.496 4.456 3.960 0.001 0.000 0.250 301 G C 0.705 175.560 174.900 -0.074 0.000 1.230 301 G CA 0.065 45.205 45.100 0.067 0.000 0.883 301 G HN 2.119 nan 8.290 nan 0.000 0.573 302 G N -0.774 107.962 108.800 -0.106 0.000 3.190 302 G HA2 -0.038 3.923 3.960 0.001 0.000 0.686 302 G HA3 -0.038 3.923 3.960 0.001 0.000 0.686 302 G C 0.190 174.984 174.900 -0.177 0.000 1.033 302 G CA 0.264 45.304 45.100 -0.099 0.000 0.797 302 G HN 1.688 nan 8.290 nan 0.000 0.567 303 N N -0.137 118.489 118.700 -0.123 0.000 2.725 303 N HA -0.134 4.606 4.740 0.001 0.000 0.251 303 N C 1.615 176.994 175.510 -0.218 0.000 1.031 303 N CA 1.735 54.703 53.050 -0.136 0.000 0.720 303 N CB -0.616 37.780 38.487 -0.151 0.000 0.930 303 N HN 2.591 nan 8.380 nan 0.000 0.543 304 G N -0.612 108.053 108.800 -0.225 0.000 2.361 304 G HA2 -0.176 3.784 3.960 0.001 0.000 0.294 304 G HA3 -0.176 3.784 3.960 0.001 0.000 0.294 304 G C 1.056 175.629 174.900 -0.546 0.000 1.004 304 G CA 1.112 46.031 45.100 -0.301 0.000 0.870 304 G HN 1.545 nan 8.290 nan 0.000 0.510 305 G N -2.157 106.199 108.800 -0.740 0.000 2.148 305 G HA2 -0.260 3.701 3.960 0.001 0.000 0.254 305 G HA3 -0.260 3.701 3.960 0.001 0.000 0.254 305 G C 0.314 174.844 174.900 -0.617 0.000 0.981 305 G CA 0.998 45.842 45.100 -0.428 0.000 0.670 305 G HN 1.084 nan 8.290 nan 0.000 0.528 306 Q N -1.160 118.178 119.800 -0.770 0.000 2.260 306 Q HA 0.505 4.846 4.340 0.001 0.000 0.242 306 Q C 0.477 175.872 176.000 -1.008 0.000 0.932 306 Q CA -0.861 54.140 55.803 -1.337 0.000 0.891 306 Q CB 0.522 28.296 28.738 -1.606 0.000 1.222 306 Q HN 0.583 nan 8.270 nan 0.000 0.453 307 Y N -1.106 118.807 120.300 -0.645 0.000 3.001 307 Y HA -0.257 4.293 4.550 0.001 0.000 0.207 307 Y C -0.050 175.649 175.900 -0.335 0.000 1.231 307 Y CA 0.661 58.507 58.100 -0.423 0.000 1.024 307 Y CB -2.227 36.057 38.460 -0.293 0.000 1.267 307 Y HN 0.454 nan 8.280 nan 0.000 0.501 308 S N -0.545 114.981 115.700 -0.290 0.000 2.599 308 S HA 0.825 5.295 4.470 0.001 0.000 0.294 308 S C 0.308 174.834 174.600 -0.123 0.000 1.094 308 S CA -0.202 57.883 58.200 -0.193 0.000 0.931 308 S CB 1.571 64.643 63.200 -0.214 0.000 1.093 308 S HN 0.701 nan 8.310 nan 0.000 0.488 309 S N 1.378 117.034 115.700 -0.074 0.000 2.617 309 S HA 0.599 5.069 4.470 0.001 0.000 0.259 309 S C -0.206 174.399 174.600 0.007 0.000 1.301 309 S CA 0.179 58.341 58.200 -0.064 0.000 0.984 309 S CB -0.098 63.044 63.200 -0.098 0.000 0.954 309 S HN 1.260 nan 8.310 nan 0.000 0.572 310 H N -3.003 116.033 119.070 -0.057 0.000 2.932 310 H HA 0.592 5.148 4.556 0.001 0.000 0.307 310 H C -0.651 174.664 175.328 -0.022 0.000 1.391 310 H CA -0.422 55.605 56.048 -0.034 0.000 1.130 310 H CB 0.627 30.403 29.762 0.023 0.000 1.836 310 H HN 0.556 nan 8.280 nan 0.000 0.522 311 S N -0.680 115.039 115.700 0.031 0.000 2.651 311 S HA 0.214 4.684 4.470 0.001 0.000 0.246 311 S C -0.442 174.211 174.600 0.088 0.000 1.039 311 S CA -0.353 57.834 58.200 -0.022 0.000 1.013 311 S CB -0.659 62.505 63.200 -0.060 0.000 0.861 311 S HN 0.644 nan 8.310 nan 0.000 0.485 312 T N 5.139 119.926 114.554 0.389 0.000 2.769 312 T HA 0.291 4.642 4.350 0.001 0.000 0.293 312 T C -2.548 172.332 174.700 0.300 0.000 0.931 312 T CA -0.727 61.565 62.100 0.320 0.000 1.139 312 T CB 0.254 69.281 68.868 0.266 0.000 0.881 312 T HN 0.219 nan 8.240 nan 0.000 0.532 313 P HA 0.156 nan 4.420 nan 0.000 0.265 313 P C 0.918 178.369 177.300 0.252 0.000 1.187 313 P CA 0.022 63.271 63.100 0.249 0.000 0.766 313 P CB 0.437 32.295 31.700 0.262 0.000 0.820 314 G N 1.626 110.551 108.800 0.208 0.000 3.126 314 G HA2 0.012 3.973 3.960 0.001 0.000 0.224 314 G HA3 0.012 3.973 3.960 0.001 0.000 0.224 314 G C 0.375 175.416 174.900 0.235 0.000 1.142 314 G CA 0.036 45.278 45.100 0.236 0.000 0.759 314 G HN 0.391 nan 8.290 nan 0.000 0.550 315 E N 0.227 120.539 120.200 0.187 0.000 2.470 315 E HA 0.364 4.715 4.350 0.001 0.000 0.258 315 E C -0.651 176.063 176.600 0.191 0.000 1.295 315 E CA 0.532 57.029 56.400 0.162 0.000 1.032 315 E CB 0.458 30.222 29.700 0.107 0.000 0.980 315 E HN 0.185 nan 8.360 nan 0.000 0.500 316 D N 0.062 120.566 120.400 0.173 0.000 2.419 316 D HA 0.215 4.855 4.640 0.001 0.000 0.219 316 D C -2.452 173.956 176.300 0.180 0.000 1.349 316 D CA -1.009 53.104 54.000 0.189 0.000 0.964 316 D CB 0.447 41.374 40.800 0.212 0.000 1.463 316 D HN 0.237 nan 8.370 nan 0.000 0.573 317 P HA 0.146 nan 4.420 nan 0.000 0.282 317 P C -0.505 176.919 177.300 0.207 0.000 1.286 317 P CA -0.444 62.762 63.100 0.175 0.000 0.777 317 P CB 0.297 32.089 31.700 0.152 0.000 1.184 318 Y N 1.674 122.028 120.300 0.090 0.000 2.610 318 Y HA 0.042 4.593 4.550 0.001 0.000 0.332 318 Y C -1.095 174.874 175.900 0.114 0.000 1.201 318 Y CA -1.232 56.933 58.100 0.108 0.000 1.465 318 Y CB 0.148 38.671 38.460 0.105 0.000 1.283 318 Y HN 0.259 nan 8.280 nan 0.000 0.563 319 P HA -0.032 nan 4.420 nan 0.000 0.215 319 P C 0.790 177.897 177.300 -0.321 0.000 1.157 319 P CA 0.576 63.523 63.100 -0.255 0.000 0.869 319 P CB 0.215 31.806 31.700 -0.183 0.000 0.781 320 S N -0.575 114.744 115.700 -0.636 0.000 2.536 320 S HA 0.162 4.633 4.470 0.001 0.000 0.248 320 S C 1.252 175.840 174.600 -0.018 0.000 1.287 320 S CA 1.351 59.371 58.200 -0.299 0.000 0.978 320 S CB -0.297 62.772 63.200 -0.218 0.000 0.992 320 S HN 0.412 nan 8.310 nan 0.000 0.539 321 T N -1.595 112.984 114.554 0.042 0.000 3.191 321 T HA 0.165 4.516 4.350 0.001 0.000 0.285 321 T C -0.624 173.703 174.700 -0.622 0.000 0.887 321 T CA -0.047 61.956 62.100 -0.161 0.000 0.881 321 T CB -0.467 68.305 68.868 -0.160 0.000 1.217 321 T HN 0.629 nan 8.240 nan 0.000 0.591 322 D N 2.292 122.598 120.400 -0.157 0.000 2.339 322 D HA 0.034 4.674 4.640 0.001 0.000 0.256 322 D C -0.866 175.409 176.300 -0.040 0.000 1.214 322 D CA -0.350 53.579 54.000 -0.118 0.000 0.877 322 D CB 0.465 41.341 40.800 0.127 0.000 1.111 322 D HN 0.254 nan 8.370 nan 0.000 0.478 323 Y N 2.422 122.720 120.300 -0.002 0.000 2.767 323 Y HA 0.084 4.635 4.550 0.001 0.000 0.354 323 Y C 1.239 177.001 175.900 -0.230 0.000 1.292 323 Y CA -1.796 56.154 58.100 -0.251 0.000 1.749 323 Y CB -0.615 37.713 38.460 -0.219 0.000 1.841 323 Y HN 0.547 nan 8.280 nan 0.000 0.454 324 W N -0.445 120.939 121.300 0.140 0.000 2.504 324 W HA -0.117 4.543 4.660 0.001 0.000 0.257 324 W C -0.333 176.234 176.519 0.080 0.000 1.225 324 W CA -0.217 57.187 57.345 0.099 0.000 1.205 324 W CB -0.417 29.109 29.460 0.110 0.000 1.137 324 W HN 0.268 nan 8.180 nan 0.000 0.612 325 L N 2.735 123.835 121.223 -0.207 0.000 2.407 325 L HA 0.216 4.556 4.340 0.001 0.000 0.282 325 L C 0.317 177.164 176.870 -0.039 0.000 1.110 325 L CA -0.604 54.169 54.840 -0.112 0.000 0.863 325 L CB 0.566 42.357 42.059 -0.447 0.000 1.207 325 L HN -0.194 nan 8.230 nan 0.000 0.454 326 V N 6.743 126.709 119.914 0.087 0.000 2.486 326 V HA 0.171 4.291 4.120 0.001 0.000 0.290 326 V C 1.491 177.435 176.094 -0.249 0.000 0.991 326 V CA 1.191 63.459 62.300 -0.054 0.000 1.142 326 V CB -0.290 31.405 31.823 -0.214 0.000 0.926 326 V HN 1.101 nan 8.190 nan 0.000 0.472 327 G N 3.558 112.056 108.800 -0.504 0.000 2.147 327 G HA2 -0.268 3.692 3.960 0.001 0.000 0.244 327 G HA3 -0.268 3.692 3.960 0.001 0.000 0.244 327 G C 0.237 174.822 174.900 -0.525 0.000 1.005 327 G CA 0.004 44.532 45.100 -0.953 0.000 0.713 327 G HN 1.033 nan 8.290 nan 0.000 0.515 328 C N 0.610 119.707 119.300 -0.337 0.000 2.225 328 C HA 0.676 5.136 4.460 0.001 0.000 0.323 328 C C 1.495 176.346 174.990 -0.232 0.000 1.164 328 C CA -0.229 58.616 59.018 -0.288 0.000 1.565 328 C CB -0.150 27.405 27.740 -0.309 0.000 2.124 328 C HN 0.545 nan 8.230 nan 0.000 0.461 329 E N 1.580 121.668 120.200 -0.185 0.000 2.318 329 E HA -0.125 4.226 4.350 0.001 0.000 0.193 329 E C 1.797 178.304 176.600 -0.155 0.000 0.998 329 E CA 0.516 56.834 56.400 -0.138 0.000 0.859 329 E CB 0.249 29.897 29.700 -0.087 0.000 0.812 329 E HN 0.872 nan 8.360 nan 0.000 0.492 330 E N 0.638 120.737 120.200 -0.168 0.000 2.077 330 E HA -0.198 4.153 4.350 0.001 0.000 0.193 330 E C 1.908 178.372 176.600 -0.227 0.000 0.989 330 E CA 1.312 57.616 56.400 -0.159 0.000 0.800 330 E CB 0.012 29.627 29.700 -0.141 0.000 0.746 330 E HN 0.253 nan 8.360 nan 0.000 0.452 331 C N 0.159 119.273 119.300 -0.310 0.000 2.393 331 C HA -0.157 4.304 4.460 0.001 0.000 0.276 331 C C 2.678 177.282 174.990 -0.642 0.000 1.215 331 C CA 0.799 59.537 59.018 -0.466 0.000 1.743 331 C CB -1.078 26.343 27.740 -0.531 0.000 2.044 331 C HN 0.342 nan 8.230 nan 0.000 0.464 332 V N 1.213 120.771 119.914 -0.593 0.000 2.324 332 V HA -0.279 3.841 4.120 0.001 0.000 0.250 332 V C 2.664 178.574 176.094 -0.307 0.000 1.060 332 V CA 2.400 64.367 62.300 -0.555 0.000 1.042 332 V CB -0.855 30.899 31.823 -0.116 0.000 0.650 332 V HN 0.551 nan 8.190 nan 0.000 0.450 333 R N 0.143 120.517 120.500 -0.210 0.000 2.066 333 R HA -0.160 4.180 4.340 0.001 0.000 0.232 333 R C 1.736 177.964 176.300 -0.121 0.000 1.131 333 R CA 2.010 58.038 56.100 -0.119 0.000 0.955 333 R CB -0.226 30.022 30.300 -0.087 0.000 0.851 333 R HN 0.513 nan 8.270 nan 0.000 0.432 334 D N 0.200 120.497 120.400 -0.172 0.000 2.350 334 D HA 0.019 4.660 4.640 0.001 0.000 0.213 334 D C -0.163 176.040 176.300 -0.162 0.000 1.031 334 D CA 0.303 54.224 54.000 -0.132 0.000 0.861 334 D CB 0.377 41.109 40.800 -0.113 0.000 0.926 334 D HN 0.122 nan 8.370 nan 0.000 0.520 335 K N 1.047 121.260 120.400 -0.311 0.000 3.162 335 K HA -0.150 4.170 4.320 0.001 0.000 0.268 335 K C -0.778 175.671 176.600 -0.251 0.000 1.062 335 K CA 0.493 56.600 56.287 -0.301 0.000 0.769 335 K CB -1.012 31.509 32.500 0.035 0.000 1.274 335 K HN 0.039 nan 8.250 nan 0.000 0.478 336 D N -0.664 119.443 120.400 -0.488 0.000 2.312 336 D HA 0.081 4.721 4.640 0.001 0.000 0.229 336 D C -2.261 173.660 176.300 -0.631 0.000 1.337 336 D CA -1.418 52.283 54.000 -0.498 0.000 0.964 336 D CB 1.267 41.923 40.800 -0.241 0.000 1.456 336 D HN -0.117 nan 8.370 nan 0.000 0.547 337 P HA 0.021 nan 4.420 nan 0.000 0.242 337 P C 0.791 177.583 177.300 -0.846 0.000 1.197 337 P CA 0.154 62.655 63.100 -0.998 0.000 0.765 337 P CB 0.360 31.121 31.700 -1.566 0.000 0.936 338 R N -1.026 119.159 120.500 -0.525 0.000 2.280 338 R HA 0.215 4.555 4.340 0.001 0.000 0.195 338 R C 0.576 176.754 176.300 -0.203 0.000 0.935 338 R CA 0.216 56.159 56.100 -0.262 0.000 1.033 338 R CB 0.294 30.503 30.300 -0.152 0.000 0.964 338 R HN 0.152 nan 8.270 nan 0.000 0.489 339 I N 0.436 120.881 120.570 -0.208 0.000 2.498 339 I HA 0.468 4.638 4.170 0.001 0.000 0.290 339 I C -0.856 175.188 176.117 -0.121 0.000 1.032 339 I CA -1.044 60.196 61.300 -0.100 0.000 1.073 339 I CB 1.829 39.776 38.000 -0.089 0.000 1.251 339 I HN -0.099 nan 8.210 nan 0.000 0.426 340 A N 4.359 127.152 122.820 -0.046 0.000 2.459 340 A HA 0.653 4.973 4.320 0.001 0.000 0.296 340 A C -0.106 177.478 177.584 0.001 0.000 1.039 340 A CA -0.519 51.462 52.037 -0.093 0.000 0.698 340 A CB 1.440 20.318 19.000 -0.203 0.000 1.261 340 A HN 0.744 nan 8.150 nan 0.000 0.405 341 S N 1.641 117.339 115.700 -0.002 0.000 2.584 341 S HA 0.199 4.669 4.470 0.001 0.000 0.270 341 S C 0.932 175.537 174.600 0.009 0.000 1.346 341 S CA 0.328 58.563 58.200 0.060 0.000 1.018 341 S CB 0.117 63.326 63.200 0.015 0.000 0.899 341 S HN 1.176 nan 8.310 nan 0.000 0.542 342 Y N 2.363 122.645 120.300 -0.030 0.000 2.151 342 Y HA -0.218 4.333 4.550 0.001 0.000 0.284 342 Y C 2.707 178.538 175.900 -0.115 0.000 1.166 342 Y CA 2.261 60.309 58.100 -0.088 0.000 1.163 342 Y CB -0.380 37.991 38.460 -0.149 0.000 0.974 342 Y HN 0.846 nan 8.280 nan 0.000 0.511 343 R N -0.025 120.446 120.500 -0.050 0.000 2.097 343 R HA -0.316 4.025 4.340 0.001 0.000 0.236 343 R C 2.428 178.608 176.300 -0.199 0.000 1.135 343 R CA 2.282 58.324 56.100 -0.097 0.000 0.934 343 R CB -0.533 29.783 30.300 0.026 0.000 0.846 343 R HN 0.440 nan 8.270 nan 0.000 0.431 344 Q N 0.550 120.251 119.800 -0.166 0.000 2.124 344 Q HA -0.109 4.232 4.340 0.001 0.000 0.202 344 Q C 2.016 177.843 176.000 -0.289 0.000 0.977 344 Q CA 1.674 57.361 55.803 -0.193 0.000 0.850 344 Q CB -0.236 28.400 28.738 -0.170 0.000 0.901 344 Q HN 0.516 nan 8.270 nan 0.000 0.429 345 L N 0.043 121.037 121.223 -0.381 0.000 2.056 345 L HA -0.136 4.204 4.340 0.001 0.000 0.207 345 L C 2.523 179.092 176.870 -0.502 0.000 1.078 345 L CA 1.666 56.200 54.840 -0.509 0.000 0.749 345 L CB -0.533 41.144 42.059 -0.636 0.000 0.901 345 L HN 0.399 nan 8.230 nan 0.000 0.433 346 E N 0.184 120.052 120.200 -0.553 0.000 2.160 346 E HA -0.266 4.084 4.350 0.001 0.000 0.195 346 E C 2.063 178.515 176.600 -0.247 0.000 0.991 346 E CA 1.166 57.298 56.400 -0.446 0.000 0.810 346 E CB 0.109 29.507 29.700 -0.503 0.000 0.742 346 E HN 0.554 nan 8.360 nan 0.000 0.466 347 Q N -0.729 118.945 119.800 -0.210 0.000 2.378 347 Q HA -0.023 4.317 4.340 0.001 0.000 0.205 347 Q C 1.899 177.876 176.000 -0.037 0.000 0.954 347 Q CA 0.728 56.470 55.803 -0.102 0.000 0.901 347 Q CB 0.159 28.848 28.738 -0.082 0.000 0.981 347 Q HN 0.371 nan 8.270 nan 0.000 0.483 348 M N -0.342 119.178 119.600 -0.133 0.000 2.287 348 M HA -0.059 4.421 4.480 0.001 0.000 0.266 348 M C 1.846 178.194 176.300 0.080 0.000 1.079 348 M CA 1.052 56.318 55.300 -0.056 0.000 1.146 348 M CB 0.078 32.441 32.600 -0.393 0.000 1.374 348 M HN 0.188 nan 8.290 nan 0.000 0.435 349 L N 0.036 121.214 121.223 -0.075 0.000 2.017 349 L HA -0.223 4.117 4.340 0.001 0.000 0.208 349 L C 2.210 179.090 176.870 0.017 0.000 1.073 349 L CA 1.437 56.267 54.840 -0.016 0.000 0.745 349 L CB -0.569 41.438 42.059 -0.087 0.000 0.894 349 L HN 0.365 nan 8.230 nan 0.000 0.432 350 Q N -0.518 119.274 119.800 -0.014 0.000 2.561 350 Q HA -0.101 4.240 4.340 0.001 0.000 0.217 350 Q C 1.614 177.603 176.000 -0.018 0.000 0.980 350 Q CA 0.803 56.595 55.803 -0.018 0.000 0.927 350 Q CB -0.104 28.616 28.738 -0.031 0.000 0.980 350 Q HN 0.551 nan 8.270 nan 0.000 0.525 351 G N -0.896 107.916 108.800 0.019 0.000 3.159 351 G HA2 0.085 4.045 3.960 0.001 0.000 0.232 351 G HA3 0.085 4.045 3.960 0.001 0.000 0.232 351 G C 0.583 175.310 174.900 -0.289 0.000 1.116 351 G CA 0.150 45.153 45.100 -0.162 0.000 0.767 351 G HN 0.426 nan 8.290 nan 0.000 0.547 352 N N -0.742 117.912 118.700 -0.077 0.000 2.678 352 N HA -0.349 4.392 4.740 0.001 0.000 0.250 352 N C 1.208 176.691 175.510 -0.045 0.000 1.136 352 N CA 1.450 54.467 53.050 -0.056 0.000 0.757 352 N CB -2.642 nan 38.487 nan 0.000 1.135 352 N HN 0.460 nan 8.380 nan 0.000 0.565 353 Y N -0.546 119.760 120.300 0.010 0.000 2.736 353 Y HA 0.209 4.759 4.550 0.001 0.000 0.298 353 Y C 2.432 178.246 175.900 -0.143 0.000 1.156 353 Y CA 1.913 59.988 58.100 -0.042 0.000 1.384 353 Y CB -0.183 38.274 38.460 -0.005 0.000 0.976 353 Y HN 1.061 nan 8.280 nan 0.000 0.556 354 G N -2.644 106.185 108.800 0.048 0.000 2.481 354 G HA2 -0.254 3.707 3.960 0.001 0.000 0.200 354 G HA3 -0.254 3.707 3.960 0.001 0.000 0.200 354 G C -0.021 174.921 174.900 0.069 0.000 1.012 354 G CA -0.454 44.702 45.100 0.093 0.000 0.676 354 G HN 0.158 nan 8.290 nan 0.000 0.488 355 Y N 2.225 122.558 120.300 0.054 0.000 2.890 355 Y HA 0.374 4.924 4.550 0.001 0.000 0.341 355 Y C 1.204 177.124 175.900 0.033 0.000 1.269 355 Y CA 0.980 59.090 58.100 0.016 0.000 1.517 355 Y CB 0.312 38.718 38.460 -0.091 0.000 1.314 355 Y HN 0.356 nan 8.280 nan 0.000 0.622 356 Q N 2.514 122.430 119.800 0.194 0.000 2.337 356 Q HA 0.379 4.719 4.340 0.001 0.000 0.270 356 Q C -0.670 175.387 176.000 0.094 0.000 1.043 356 Q CA -1.138 54.739 55.803 0.123 0.000 0.794 356 Q CB 2.430 31.241 28.738 0.121 0.000 1.281 356 Q HN 0.438 nan 8.270 nan 0.000 0.446 357 R N 3.738 124.272 120.500 0.057 0.000 2.202 357 R HA 0.383 4.723 4.340 0.001 0.000 0.334 357 R C -1.245 175.035 176.300 -0.034 0.000 1.036 357 R CA 0.012 56.131 56.100 0.032 0.000 0.878 357 R CB 0.116 30.461 30.300 0.075 0.000 1.067 357 R HN 0.686 nan 8.270 nan 0.000 0.457 358 L N 3.515 124.591 121.223 -0.246 0.000 2.313 358 L HA 0.564 4.904 4.340 0.001 0.000 0.268 358 L C -0.402 176.340 176.870 -0.212 0.000 1.010 358 L CA -0.938 53.689 54.840 -0.355 0.000 0.814 358 L CB 2.085 43.688 42.059 -0.759 0.000 1.304 358 L HN 0.547 nan 8.230 nan 0.000 0.441 359 W N 2.519 123.736 121.300 -0.139 0.000 2.715 359 W HA 0.277 4.938 4.660 0.001 0.000 0.331 359 W C -1.253 175.387 176.519 0.203 0.000 1.031 359 W CA -0.616 56.757 57.345 0.046 0.000 1.237 359 W CB 1.754 31.222 29.460 0.014 0.000 1.378 359 W HN 0.461 nan 8.180 nan 0.000 0.454 360 N N 4.019 122.512 118.700 -0.345 0.000 2.437 360 N HA -0.008 4.733 4.740 0.001 0.000 0.243 360 N C 0.086 175.207 175.510 -0.649 0.000 1.041 360 N CA 0.393 53.265 53.050 -0.298 0.000 0.940 360 N CB 1.063 39.380 38.487 -0.284 0.000 1.133 360 N HN 0.449 nan 8.380 nan 0.000 0.506 361 D N 2.389 122.641 120.400 -0.246 0.000 2.363 361 D HA 0.036 4.676 4.640 0.001 0.000 0.226 361 D C 1.030 177.281 176.300 -0.083 0.000 1.020 361 D CA 0.749 54.698 54.000 -0.084 0.000 0.892 361 D CB 0.560 41.471 40.800 0.184 0.000 0.900 361 D HN 0.375 nan 8.370 nan 0.000 0.531 362 K N -1.095 119.242 120.400 -0.105 0.000 2.172 362 K HA 0.038 4.358 4.320 0.001 0.000 0.203 362 K C 2.112 178.698 176.600 -0.022 0.000 1.040 362 K CA 1.227 57.496 56.287 -0.028 0.000 0.974 362 K CB -0.688 31.817 32.500 0.008 0.000 0.857 362 K HN 0.244 nan 8.250 nan 0.000 0.464 363 T N -0.610 113.855 114.554 -0.147 0.000 3.023 363 T HA 0.021 4.372 4.350 0.001 0.000 0.266 363 T C 0.394 174.899 174.700 -0.323 0.000 1.093 363 T CA 0.207 62.191 62.100 -0.192 0.000 1.129 363 T CB -0.015 68.659 68.868 -0.324 0.000 0.899 363 T HN -0.003 nan 8.240 nan 0.000 0.491 364 K N 2.229 122.311 120.400 -0.530 0.000 3.239 364 K HA -0.110 4.211 4.320 0.001 0.000 0.270 364 K C -0.097 176.015 176.600 -0.813 0.000 1.049 364 K CA 1.199 57.077 56.287 -0.681 0.000 0.769 364 K CB -2.752 29.474 32.500 -0.457 0.000 1.305 364 K HN 0.917 nan 8.250 nan 0.000 0.469 365 T N -2.503 111.292 114.554 -1.264 0.000 2.894 365 T HA 0.714 5.065 4.350 0.001 0.000 0.309 365 T C -3.049 171.155 174.700 -0.825 0.000 1.208 365 T CA -1.600 59.987 62.100 -0.855 0.000 1.016 365 T CB 3.878 72.436 68.868 -0.516 0.000 1.192 365 T HN -0.122 nan 8.240 nan 0.000 0.491 366 P HA 0.624 nan 4.420 nan 0.000 0.285 366 P C -1.753 175.650 177.300 0.172 0.000 1.285 366 P CA -0.613 62.493 63.100 0.010 0.000 0.854 366 P CB 0.886 32.591 31.700 0.007 0.000 1.180 367 Y N -2.270 118.134 120.300 0.173 0.000 2.565 367 Y HA 0.546 5.097 4.550 0.001 0.000 0.330 367 Y C -1.675 174.319 175.900 0.158 0.000 1.150 367 Y CA -1.412 56.779 58.100 0.152 0.000 1.055 367 Y CB 0.359 38.779 38.460 -0.066 0.000 1.337 367 Y HN 0.079 nan 8.280 nan 0.000 0.457 368 L N 3.801 125.071 121.223 0.078 0.000 2.307 368 L HA 0.448 4.788 4.340 0.001 0.000 0.282 368 L C -1.153 175.861 176.870 0.240 0.000 1.051 368 L CA -0.947 53.933 54.840 0.066 0.000 0.804 368 L CB 1.211 43.222 42.059 -0.079 0.000 1.197 368 L HN 0.758 nan 8.230 nan 0.000 0.431 369 Y N 2.818 123.231 120.300 0.189 0.000 2.338 369 Y HA 0.277 4.828 4.550 0.001 0.000 0.333 369 Y C -0.696 175.378 175.900 0.291 0.000 0.968 369 Y CA -0.977 57.294 58.100 0.286 0.000 1.123 369 Y CB 1.007 39.636 38.460 0.282 0.000 1.165 369 Y HN 0.512 nan 8.280 nan 0.000 0.452 370 H N 6.338 125.208 119.070 -0.334 0.000 2.628 370 H HA 0.443 5.000 4.556 0.001 0.000 0.250 370 H C 0.685 175.543 175.328 -0.783 0.000 1.442 370 H CA 0.249 55.985 56.048 -0.520 0.000 1.282 370 H CB 0.897 30.411 29.762 -0.413 0.000 1.487 370 H HN 1.017 nan 8.280 nan 0.000 0.544 371 A N 3.304 125.377 122.820 -1.245 0.000 1.903 371 A HA -0.311 4.009 4.320 0.001 0.000 0.219 371 A C 2.210 179.494 177.584 -0.500 0.000 1.191 371 A CA 2.076 53.589 52.037 -0.873 0.000 0.638 371 A CB -0.548 18.212 19.000 -0.400 0.000 0.823 371 A HN 0.805 nan 8.150 nan 0.000 0.451 372 Q N -0.833 118.578 119.800 -0.648 0.000 2.062 372 Q HA -0.257 4.084 4.340 0.001 0.000 0.209 372 Q C 1.066 176.827 176.000 -0.398 0.000 0.996 372 Q CA 2.247 57.733 55.803 -0.527 0.000 0.859 372 Q CB -0.132 28.225 28.738 -0.635 0.000 0.920 372 Q HN 0.727 nan 8.270 nan 0.000 0.415 373 N N -1.388 117.019 118.700 -0.489 0.000 2.236 373 N HA 0.186 4.926 4.740 0.001 0.000 0.196 373 N C -0.396 175.097 175.510 -0.028 0.000 1.114 373 N CA 0.751 53.727 53.050 -0.122 0.000 0.859 373 N CB 1.390 39.929 38.487 0.086 0.000 0.982 373 N HN 0.382 nan 8.380 nan 0.000 0.493 374 G N 0.738 109.502 108.800 -0.060 0.000 2.324 374 G HA2 -0.228 3.732 3.960 0.001 0.000 0.292 374 G HA3 -0.228 3.732 3.960 0.001 0.000 0.292 374 G C -0.838 174.168 174.900 0.178 0.000 1.079 374 G CA -0.134 45.017 45.100 0.085 0.000 1.026 374 G HN 0.117 nan 8.290 nan 0.000 0.506 375 L N -0.530 120.846 121.223 0.255 0.000 2.342 375 L HA 0.928 5.268 4.340 0.001 0.000 0.271 375 L C -0.081 177.123 176.870 0.557 0.000 1.008 375 L CA -1.400 53.676 54.840 0.394 0.000 0.818 375 L CB 1.820 44.158 42.059 0.466 0.000 1.296 375 L HN 0.260 nan 8.230 nan 0.000 0.427 376 F N 2.213 122.399 119.950 0.392 0.000 2.569 376 F HA 0.822 5.350 4.527 0.001 0.000 0.312 376 F C -1.228 174.820 175.800 0.412 0.000 1.109 376 F CA -0.674 57.553 58.000 0.378 0.000 0.919 376 F CB 1.778 40.875 39.000 0.161 0.000 1.211 376 F HN 0.113 nan 8.300 nan 0.000 0.446 377 V N 3.858 123.541 119.914 -0.384 0.000 2.686 377 V HA 0.482 4.602 4.120 0.001 0.000 0.306 377 V C -0.610 175.273 176.094 -0.352 0.000 1.065 377 V CA -0.743 61.443 62.300 -0.190 0.000 0.894 377 V CB 1.846 33.581 31.823 -0.146 0.000 1.004 377 V HN 0.844 nan 8.190 nan 0.000 0.424 378 T N 4.752 119.316 114.554 0.016 0.000 2.797 378 T HA 0.804 5.155 4.350 0.001 0.000 0.279 378 T C -1.048 173.844 174.700 0.320 0.000 0.991 378 T CA -0.213 62.010 62.100 0.204 0.000 0.979 378 T CB 0.746 69.832 68.868 0.364 0.000 0.943 378 T HN 0.948 nan 8.240 nan 0.000 0.444 379 Y N 1.329 121.657 120.300 0.048 0.000 2.788 379 Y HA 0.783 5.333 4.550 0.001 0.000 0.335 379 Y C -1.774 174.141 175.900 0.025 0.000 1.287 379 Y CA -1.652 56.451 58.100 0.005 0.000 1.068 379 Y CB 0.361 38.813 38.460 -0.014 0.000 1.340 379 Y HN 0.492 nan 8.280 nan 0.000 0.449 380 D N 0.535 120.808 120.400 -0.211 0.000 2.350 380 D HA 0.550 5.191 4.640 0.001 0.000 0.238 380 D C -1.410 174.572 176.300 -0.531 0.000 0.989 380 D CA 0.005 53.796 54.000 -0.348 0.000 0.921 380 D CB 1.812 42.605 40.800 -0.011 0.000 1.297 380 D HN 0.730 nan 8.370 nan 0.000 0.490 381 D N -1.008 118.956 120.400 -0.727 0.000 2.664 381 D HA 0.408 5.048 4.640 0.001 0.000 0.292 381 D C 0.364 176.098 176.300 -0.943 0.000 1.214 381 D CA -0.841 52.710 54.000 -0.748 0.000 0.932 381 D CB 0.452 41.142 40.800 -0.183 0.000 1.420 381 D HN 0.273 nan 8.370 nan 0.000 0.471 382 A N -0.403 122.038 122.820 -0.633 0.000 2.042 382 A HA -0.229 4.091 4.320 0.001 0.000 0.222 382 A C 1.864 179.407 177.584 -0.067 0.000 1.167 382 A CA 2.464 54.319 52.037 -0.302 0.000 0.649 382 A CB -0.923 17.982 19.000 -0.159 0.000 0.809 382 A HN 0.659 nan 8.150 nan 0.000 0.457 383 E N 0.489 120.622 120.200 -0.112 0.000 2.051 383 E HA -0.118 4.233 4.350 0.001 0.000 0.189 383 E C 2.219 178.937 176.600 0.196 0.000 0.979 383 E CA 1.665 58.036 56.400 -0.049 0.000 0.803 383 E CB -0.280 29.303 29.700 -0.196 0.000 0.761 383 E HN 0.648 nan 8.360 nan 0.000 0.451 384 S N -0.206 115.688 115.700 0.322 0.000 2.419 384 S HA -0.112 4.358 4.470 0.001 0.000 0.233 384 S C 1.719 176.613 174.600 0.491 0.000 1.016 384 S CA 0.641 59.155 58.200 0.524 0.000 0.974 384 S CB -0.529 62.819 63.200 0.247 0.000 0.786 384 S HN 0.201 nan 8.310 nan 0.000 0.492 385 F N 2.407 122.443 119.950 0.143 0.000 2.365 385 F HA 0.203 4.730 4.527 0.001 0.000 0.300 385 F C 2.194 177.994 175.800 -0.001 0.000 1.090 385 F CA -0.042 58.034 58.000 0.128 0.000 1.408 385 F CB -0.673 38.428 39.000 0.169 0.000 1.060 385 F HN 0.298 nan 8.300 nan 0.000 0.534 386 K N -0.899 119.428 120.400 -0.121 0.000 2.062 386 K HA -0.164 4.156 4.320 0.001 0.000 0.205 386 K C 1.932 178.334 176.600 -0.330 0.000 1.051 386 K CA 1.447 57.353 56.287 -0.635 0.000 0.941 386 K CB -0.396 31.597 32.500 -0.846 0.000 0.719 386 K HN 0.208 nan 8.250 nan 0.000 0.440 387 Y N 1.496 121.854 120.300 0.098 0.000 2.184 387 Y HA -0.110 4.440 4.550 0.001 0.000 0.290 387 Y C 2.167 178.168 175.900 0.168 0.000 1.129 387 Y CA 1.100 59.297 58.100 0.161 0.000 1.144 387 Y CB -0.202 38.379 38.460 0.201 0.000 0.995 387 Y HN -0.078 nan 8.280 nan 0.000 0.513 388 K N 0.002 120.573 120.400 0.284 0.000 2.097 388 K HA -0.131 4.189 4.320 0.001 0.000 0.206 388 K C 2.392 179.138 176.600 0.244 0.000 1.049 388 K CA 1.071 57.478 56.287 0.201 0.000 0.933 388 K CB -0.391 32.201 32.500 0.153 0.000 0.717 388 K HN 0.282 nan 8.250 nan 0.000 0.442 389 A N 1.923 124.843 122.820 0.166 0.000 1.902 389 A HA -0.225 4.096 4.320 0.001 0.000 0.217 389 A C 2.075 179.821 177.584 0.271 0.000 1.181 389 A CA 1.718 53.828 52.037 0.121 0.000 0.623 389 A CB -0.365 18.542 19.000 -0.154 0.000 0.818 389 A HN 0.224 nan 8.150 nan 0.000 0.443 390 K N -1.966 118.557 120.400 0.205 0.000 2.097 390 K HA -0.173 4.147 4.320 0.001 0.000 0.205 390 K C 1.915 178.681 176.600 0.278 0.000 1.050 390 K CA 1.466 57.888 56.287 0.224 0.000 0.938 390 K CB -0.360 32.239 32.500 0.164 0.000 0.718 390 K HN 0.516 nan 8.250 nan 0.000 0.442 391 Y N 1.497 121.914 120.300 0.196 0.000 2.165 391 Y HA -0.224 4.326 4.550 0.001 0.000 0.286 391 Y C 1.778 177.782 175.900 0.174 0.000 1.155 391 Y CA 1.726 59.938 58.100 0.186 0.000 1.164 391 Y CB -0.108 38.430 38.460 0.130 0.000 0.978 391 Y HN 0.021 nan 8.280 nan 0.000 0.513 392 I N 0.096 120.919 120.570 0.422 0.000 2.208 392 I HA -0.358 3.812 4.170 0.001 0.000 0.245 392 I C 2.320 178.557 176.117 0.201 0.000 1.097 392 I CA 1.737 63.230 61.300 0.323 0.000 1.363 392 I CB -0.367 37.877 38.000 0.407 0.000 1.051 392 I HN 0.245 nan 8.210 nan 0.000 0.413 393 K N 0.239 120.787 120.400 0.247 0.000 2.031 393 K HA -0.173 4.147 4.320 0.001 0.000 0.205 393 K C 2.148 178.802 176.600 0.090 0.000 1.049 393 K CA 1.224 57.617 56.287 0.177 0.000 0.939 393 K CB -0.161 32.478 32.500 0.232 0.000 0.717 393 K HN 0.384 nan 8.250 nan 0.000 0.438 394 Q N 0.388 120.226 119.800 0.064 0.000 2.124 394 Q HA -0.127 4.213 4.340 0.001 0.000 0.202 394 Q C 1.762 177.725 176.000 -0.062 0.000 0.977 394 Q CA 1.001 56.805 55.803 0.001 0.000 0.850 394 Q CB 0.149 28.881 28.738 -0.011 0.000 0.901 394 Q HN 0.227 nan 8.270 nan 0.000 0.429 395 Q N 0.169 119.887 119.800 -0.138 0.000 2.403 395 Q HA 0.002 4.342 4.340 0.001 0.000 0.203 395 Q C -0.260 175.725 176.000 -0.025 0.000 0.932 395 Q CA 0.252 55.973 55.803 -0.138 0.000 0.945 395 Q CB 0.510 29.076 28.738 -0.287 0.000 1.045 395 Q HN 0.399 nan 8.270 nan 0.000 0.511 396 Q N 0.416 120.219 119.800 0.006 0.000 2.453 396 Q HA -0.194 4.147 4.340 0.001 0.000 0.294 396 Q C -0.589 175.435 176.000 0.039 0.000 1.295 396 Q CA 0.246 56.064 55.803 0.026 0.000 0.853 396 Q CB -1.805 26.946 28.738 0.022 0.000 1.193 396 Q HN 0.365 nan 8.270 nan 0.000 0.461 397 L N -1.683 119.572 121.223 0.053 0.000 2.468 397 L HA 0.254 4.595 4.340 0.001 0.000 0.254 397 L C 1.860 178.757 176.870 0.046 0.000 1.171 397 L CA 0.488 55.370 54.840 0.070 0.000 0.809 397 L CB 0.185 42.309 42.059 0.109 0.000 1.155 397 L HN 0.332 nan 8.230 nan 0.000 0.473 398 G N -0.525 108.317 108.800 0.070 0.000 2.422 398 G HA2 0.319 4.280 3.960 0.001 0.000 0.218 398 G HA3 0.319 4.280 3.960 0.001 0.000 0.218 398 G C 0.545 175.405 174.900 -0.066 0.000 1.140 398 G CA 0.801 45.955 45.100 0.090 0.000 0.775 398 G HN 0.923 nan 8.290 nan 0.000 0.545 399 G N -2.097 106.633 108.800 -0.118 0.000 2.367 399 G HA2 0.404 4.364 3.960 0.001 0.000 0.272 399 G HA3 0.404 4.364 3.960 0.001 0.000 0.272 399 G C -1.753 173.103 174.900 -0.074 0.000 1.271 399 G CA 0.162 45.125 45.100 -0.229 0.000 0.893 399 G HN 0.831 nan 8.290 nan 0.000 0.485 400 V N 0.956 120.862 119.914 -0.014 0.000 3.001 400 V HA 0.922 5.043 4.120 0.001 0.000 0.314 400 V C -0.540 175.577 176.094 0.038 0.000 1.099 400 V CA -0.698 61.663 62.300 0.102 0.000 0.989 400 V CB 1.863 33.838 31.823 0.254 0.000 1.040 400 V HN 1.218 nan 8.190 nan 0.000 0.434 401 M N 5.663 125.312 119.600 0.081 0.000 2.593 401 M HA 0.702 5.182 4.480 0.001 0.000 0.290 401 M C -2.204 174.197 176.300 0.167 0.000 1.244 401 M CA -0.547 54.766 55.300 0.023 0.000 0.857 401 M CB 2.135 34.791 32.600 0.093 0.000 1.738 401 M HN 0.836 nan 8.290 nan 0.000 0.461 402 F N 0.875 120.874 119.950 0.082 0.000 2.665 402 F HA 0.701 5.229 4.527 0.001 0.000 0.308 402 F C -2.272 173.507 175.800 -0.035 0.000 1.112 402 F CA -1.215 56.734 58.000 -0.086 0.000 0.972 402 F CB 1.040 39.682 39.000 -0.596 0.000 1.295 402 F HN 0.687 nan 8.300 nan 0.000 0.440 403 W N 5.478 126.796 121.300 0.029 0.000 2.362 403 W HA 0.561 5.221 4.660 0.001 0.000 0.316 403 W C -1.857 174.761 176.519 0.165 0.000 1.024 403 W CA -0.628 56.755 57.345 0.062 0.000 1.270 403 W CB 1.428 30.823 29.460 -0.108 0.000 1.273 403 W HN 1.027 nan 8.180 nan 0.000 0.424 404 H N 2.322 121.175 119.070 -0.362 0.000 2.985 404 H HA 0.330 4.886 4.556 0.001 0.000 0.360 404 H C 0.578 175.796 175.328 -0.183 0.000 1.221 404 H CA -0.969 54.751 56.048 -0.547 0.000 1.121 404 H CB 1.424 30.335 29.762 -1.418 0.000 1.854 404 H HN 0.285 nan 8.280 nan 0.000 0.551 405 L N 0.732 122.016 121.223 0.101 0.000 2.034 405 L HA -0.181 4.159 4.340 0.001 0.000 0.217 405 L C 2.288 178.907 176.870 -0.419 0.000 1.077 405 L CA 2.102 57.022 54.840 0.132 0.000 0.769 405 L CB -0.663 41.541 42.059 0.243 0.000 0.890 405 L HN 1.078 nan 8.230 nan 0.000 0.435 406 G N -1.591 106.949 108.800 -0.434 0.000 2.653 406 G HA2 -0.209 3.752 3.960 0.001 0.000 0.212 406 G HA3 -0.209 3.752 3.960 0.001 0.000 0.212 406 G C 1.173 175.641 174.900 -0.720 0.000 1.138 406 G CA 0.246 44.820 45.100 -0.877 0.000 0.782 406 G HN 0.542 nan 8.290 nan 0.000 0.535 407 Q N -0.489 118.952 119.800 -0.598 0.000 2.247 407 Q HA 0.124 4.465 4.340 0.001 0.000 0.211 407 Q C -0.059 175.937 176.000 -0.006 0.000 0.861 407 Q CA -0.515 55.148 55.803 -0.233 0.000 0.949 407 Q CB 0.719 29.348 28.738 -0.182 0.000 1.115 407 Q HN 0.256 nan 8.270 nan 0.000 0.507 408 D N 1.607 121.990 120.400 -0.028 0.000 2.358 408 D HA 0.003 4.643 4.640 0.001 0.000 0.244 408 D C -0.091 176.301 176.300 0.153 0.000 1.163 408 D CA -0.176 53.820 54.000 -0.008 0.000 0.945 408 D CB 0.760 41.564 40.800 0.006 0.000 1.152 408 D HN 0.098 nan 8.370 nan 0.000 0.451 409 N N 0.811 119.620 118.700 0.182 0.000 2.317 409 N HA 0.042 4.783 4.740 0.001 0.000 0.245 409 N C 0.851 176.474 175.510 0.188 0.000 1.294 409 N CA -0.181 52.975 53.050 0.176 0.000 0.924 409 N CB 0.386 38.966 38.487 0.155 0.000 1.186 409 N HN 0.196 nan 8.380 nan 0.000 0.495 410 R N -0.117 120.459 120.500 0.127 0.000 2.105 410 R HA -0.040 4.300 4.340 0.001 0.000 0.239 410 R C 0.702 177.034 176.300 0.053 0.000 1.135 410 R CA 1.000 57.147 56.100 0.079 0.000 0.967 410 R CB -1.032 29.277 30.300 0.016 0.000 0.861 410 R HN 0.633 nan 8.270 nan 0.000 0.442 411 N N 0.190 118.916 118.700 0.044 0.000 2.521 411 N HA -0.027 4.713 4.740 0.001 0.000 0.188 411 N C 0.568 176.094 175.510 0.027 0.000 1.146 411 N CA 0.981 54.043 53.050 0.021 0.000 0.893 411 N CB 0.160 38.651 38.487 0.007 0.000 0.975 411 N HN 0.379 nan 8.380 nan 0.000 0.451 412 G N 1.663 110.501 108.800 0.063 0.000 2.314 412 G HA2 -0.256 3.704 3.960 0.001 0.000 0.292 412 G HA3 -0.256 3.704 3.960 0.001 0.000 0.292 412 G C 0.464 175.335 174.900 -0.048 0.000 1.059 412 G CA 0.382 45.513 45.100 0.051 0.000 0.982 412 G HN 0.216 nan 8.290 nan 0.000 0.505 413 D N -0.133 120.214 120.400 -0.089 0.000 2.117 413 D HA -0.086 4.554 4.640 0.001 0.000 0.197 413 D C 2.782 178.909 176.300 -0.289 0.000 0.987 413 D CA 1.172 55.077 54.000 -0.158 0.000 0.829 413 D CB -0.041 40.692 40.800 -0.112 0.000 0.961 413 D HN 0.558 nan 8.370 nan 0.000 0.460 414 L N 0.225 121.154 121.223 -0.491 0.000 2.046 414 L HA -0.158 4.182 4.340 0.001 0.000 0.208 414 L C 2.490 179.183 176.870 -0.295 0.000 1.077 414 L CA 0.577 55.055 54.840 -0.605 0.000 0.747 414 L CB -0.465 40.765 42.059 -1.382 0.000 0.896 414 L HN 0.088 nan 8.230 nan 0.000 0.432 415 L N 0.485 121.578 121.223 -0.217 0.000 2.027 415 L HA -0.093 4.247 4.340 0.001 0.000 0.206 415 L C 2.653 179.481 176.870 -0.070 0.000 1.074 415 L CA 1.996 56.813 54.840 -0.038 0.000 0.745 415 L CB -0.807 41.305 42.059 0.089 0.000 0.898 415 L HN 0.117 nan 8.230 nan 0.000 0.433 416 A N -0.215 122.541 122.820 -0.107 0.000 1.940 416 A HA -0.143 4.178 4.320 0.001 0.000 0.219 416 A C 2.470 179.886 177.584 -0.278 0.000 1.176 416 A CA 2.026 53.980 52.037 -0.138 0.000 0.631 416 A CB -1.240 17.690 19.000 -0.116 0.000 0.814 416 A HN 0.635 nan 8.150 nan 0.000 0.446 417 A N -0.195 122.413 122.820 -0.354 0.000 1.877 417 A HA -0.045 4.275 4.320 0.001 0.000 0.216 417 A C 2.185 179.170 177.584 -0.998 0.000 1.186 417 A CA 1.493 53.114 52.037 -0.694 0.000 0.620 417 A CB -0.638 18.104 19.000 -0.430 0.000 0.822 417 A HN 0.480 nan 8.150 nan 0.000 0.443 418 L N -0.516 120.422 121.223 -0.475 0.000 1.989 418 L HA -0.247 4.093 4.340 0.001 0.000 0.211 418 L C 2.509 179.177 176.870 -0.337 0.000 1.071 418 L CA 2.061 56.671 54.840 -0.383 0.000 0.749 418 L CB -0.750 41.255 42.059 -0.089 0.000 0.890 418 L HN 0.529 nan 8.230 nan 0.000 0.431 419 D N -0.113 120.202 120.400 -0.142 0.000 2.149 419 D HA -0.247 4.394 4.640 0.001 0.000 0.198 419 D C 2.277 178.504 176.300 -0.123 0.000 0.990 419 D CA 1.226 55.217 54.000 -0.016 0.000 0.839 419 D CB 0.034 40.841 40.800 0.011 0.000 0.948 419 D HN 0.086 nan 8.370 nan 0.000 0.460 420 R N -1.202 119.090 120.500 -0.347 0.000 2.073 420 R HA -0.181 4.159 4.340 0.001 0.000 0.234 420 R C 1.831 177.925 176.300 -0.343 0.000 1.134 420 R CA 1.349 57.232 56.100 -0.361 0.000 0.952 420 R CB -0.412 29.572 30.300 -0.527 0.000 0.850 420 R HN 0.265 nan 8.270 nan 0.000 0.433 421 Y N -0.623 119.366 120.300 -0.518 0.000 2.421 421 Y HA -0.087 4.463 4.550 0.001 0.000 0.292 421 Y C 1.700 177.485 175.900 -0.191 0.000 1.136 421 Y CA 0.482 58.230 58.100 -0.586 0.000 1.255 421 Y CB -0.326 37.720 38.460 -0.690 0.000 0.991 421 Y HN 0.065 nan 8.280 nan 0.000 0.552 422 F N -0.609 119.415 119.950 0.123 0.000 2.374 422 F HA 0.070 4.598 4.527 0.001 0.000 0.291 422 F C 1.629 177.496 175.800 0.112 0.000 1.084 422 F CA 0.559 58.635 58.000 0.126 0.000 1.413 422 F CB -0.240 38.810 39.000 0.085 0.000 1.099 422 F HN 0.035 nan 8.300 nan 0.000 0.534 423 N N -0.394 118.456 118.700 0.250 0.000 2.239 423 N HA 0.218 4.959 4.740 0.001 0.000 0.208 423 N C 0.492 176.085 175.510 0.138 0.000 1.200 423 N CA 0.290 53.447 53.050 0.178 0.000 0.895 423 N CB 0.378 38.951 38.487 0.144 0.000 1.085 423 N HN -0.007 nan 8.380 nan 0.000 0.500 424 A N 1.213 124.112 122.820 0.131 0.000 2.522 424 A HA 0.463 4.783 4.320 0.001 0.000 0.256 424 A C 1.454 179.129 177.584 0.151 0.000 1.086 424 A CA 0.239 52.350 52.037 0.124 0.000 0.763 424 A CB 0.256 19.324 19.000 0.114 0.000 1.024 424 A HN 0.277 nan 8.150 nan 0.000 0.502 425 A N 2.623 125.507 122.820 0.107 0.000 1.972 425 A HA -0.110 4.211 4.320 0.001 0.000 0.219 425 A C 1.360 179.000 177.584 0.092 0.000 1.169 425 A CA 1.753 53.844 52.037 0.091 0.000 0.635 425 A CB -0.409 18.630 19.000 0.065 0.000 0.810 425 A HN 0.897 nan 8.150 nan 0.000 0.446 426 D N -2.692 117.770 120.400 0.102 0.000 2.325 426 D HA 0.081 4.722 4.640 0.001 0.000 0.234 426 D C -0.066 176.324 176.300 0.151 0.000 1.122 426 D CA -0.254 53.804 54.000 0.096 0.000 0.850 426 D CB -0.525 40.320 40.800 0.075 0.000 0.921 426 D HN 0.436 nan 8.370 nan 0.000 0.513 427 Y N 0.880 121.209 120.300 0.048 0.000 2.341 427 Y HA 0.456 5.007 4.550 0.001 0.000 0.338 427 Y C -1.547 174.380 175.900 0.045 0.000 0.965 427 Y CA -1.595 56.541 58.100 0.059 0.000 1.108 427 Y CB 1.648 40.174 38.460 0.111 0.000 1.180 427 Y HN -0.183 nan 8.280 nan 0.000 0.458 428 D N 4.663 124.675 120.400 -0.646 0.000 2.469 428 D HA 0.175 4.815 4.640 0.001 0.000 0.251 428 D C -0.776 175.134 176.300 -0.650 0.000 1.173 428 D CA -0.548 53.161 54.000 -0.485 0.000 0.882 428 D CB 0.858 41.525 40.800 -0.223 0.000 1.129 428 D HN 0.686 nan 8.370 nan 0.000 0.549 429 D N 1.309 121.366 120.400 -0.572 0.000 2.424 429 D HA -0.023 4.617 4.640 0.001 0.000 0.220 429 D C 1.158 177.368 176.300 -0.150 0.000 1.150 429 D CA -0.079 53.696 54.000 -0.375 0.000 0.831 429 D CB -0.090 40.569 40.800 -0.235 0.000 0.981 429 D HN 0.179 nan 8.370 nan 0.000 0.500 430 S N -0.077 115.550 115.700 -0.122 0.000 2.469 430 S HA -0.196 4.275 4.470 0.001 0.000 0.238 430 S C 1.374 175.955 174.600 -0.032 0.000 0.998 430 S CA 0.740 58.910 58.200 -0.050 0.000 0.957 430 S CB -0.233 62.942 63.200 -0.042 0.000 0.764 430 S HN 0.189 nan 8.310 nan 0.000 0.514 431 Q N 0.134 119.902 119.800 -0.053 0.000 2.189 431 Q HA 0.409 4.749 4.340 0.001 0.000 0.223 431 Q C -0.143 175.853 176.000 -0.006 0.000 0.828 431 Q CA -0.337 55.452 55.803 -0.023 0.000 0.967 431 Q CB 0.077 28.797 28.738 -0.030 0.000 1.139 431 Q HN 0.510 nan 8.270 nan 0.000 0.497 432 L N 2.930 124.138 121.223 -0.025 0.000 2.499 432 L HA 0.043 4.383 4.340 0.001 0.000 0.273 432 L C 0.047 176.988 176.870 0.118 0.000 1.195 432 L CA 0.669 55.514 54.840 0.008 0.000 0.882 432 L CB 0.408 42.421 42.059 -0.078 0.000 1.133 432 L HN -0.009 nan 8.230 nan 0.000 0.483 433 D N 5.515 126.031 120.400 0.193 0.000 2.317 433 D HA 0.053 4.693 4.640 0.001 0.000 0.234 433 D C 0.876 177.372 176.300 0.327 0.000 1.112 433 D CA -0.533 53.593 54.000 0.210 0.000 0.840 433 D CB 1.138 42.026 40.800 0.147 0.000 1.078 433 D HN 0.584 nan 8.370 nan 0.000 0.486 434 M N 2.648 122.422 119.600 0.290 0.000 2.539 434 M HA 0.064 4.544 4.480 0.001 0.000 0.261 434 M C 1.350 177.752 176.300 0.171 0.000 1.069 434 M CA 0.683 56.190 55.300 0.344 0.000 1.081 434 M CB -1.601 31.202 32.600 0.339 0.000 1.412 434 M HN 0.723 nan 8.290 nan 0.000 0.482 435 G N 0.328 109.177 108.800 0.081 0.000 2.698 435 G HA2 -0.199 3.761 3.960 0.001 0.000 0.225 435 G HA3 -0.199 3.761 3.960 0.001 0.000 0.225 435 G C 0.165 175.016 174.900 -0.081 0.000 1.345 435 G CA 0.064 45.169 45.100 0.009 0.000 0.871 435 G HN 0.413 nan 8.290 nan 0.000 0.540 436 T N -1.706 112.803 114.554 -0.074 0.000 3.228 436 T HA 0.612 4.963 4.350 0.001 0.000 0.278 436 T C 1.221 175.855 174.700 -0.111 0.000 1.014 436 T CA 1.085 63.126 62.100 -0.099 0.000 0.904 436 T CB 0.390 69.232 68.868 -0.043 0.000 1.110 436 T HN 1.986 nan 8.240 nan 0.000 0.541 437 G N 1.558 110.278 108.800 -0.132 0.000 2.664 437 G HA2 0.483 4.443 3.960 0.001 0.000 0.242 437 G HA3 0.483 4.443 3.960 0.001 0.000 0.242 437 G C -0.055 174.799 174.900 -0.076 0.000 1.225 437 G CA -0.845 44.233 45.100 -0.038 0.000 0.849 437 G HN 0.594 nan 8.290 nan 0.000 0.581 438 L N 0.856 122.105 121.223 0.043 0.000 2.462 438 L HA 0.245 4.585 4.340 0.001 0.000 0.272 438 L C 0.776 177.746 176.870 0.167 0.000 1.166 438 L CA -0.421 54.459 54.840 0.067 0.000 0.880 438 L CB 0.298 42.408 42.059 0.086 0.000 1.142 438 L HN 0.348 nan 8.230 nan 0.000 0.473 439 R N 1.845 122.416 120.500 0.118 0.000 2.532 439 R HA 0.281 4.621 4.340 0.001 0.000 0.272 439 R C -0.838 175.620 176.300 0.263 0.000 1.032 439 R CA -0.613 55.636 56.100 0.249 0.000 1.089 439 R CB 0.536 30.923 30.300 0.145 0.000 1.098 439 R HN 0.314 nan 8.270 nan 0.000 0.526 440 Y N 0.860 121.292 120.300 0.220 0.000 2.393 440 Y HA 0.070 4.620 4.550 0.001 0.000 0.338 440 Y C 1.143 177.111 175.900 0.113 0.000 1.029 440 Y CA 0.295 58.500 58.100 0.175 0.000 1.239 440 Y CB 0.892 39.469 38.460 0.195 0.000 1.170 440 Y HN 0.776 nan 8.280 nan 0.000 0.515 441 T N 1.246 115.617 114.554 -0.306 0.000 3.065 441 T HA 0.219 4.569 4.350 0.001 0.000 0.252 441 T C 1.053 175.598 174.700 -0.257 0.000 1.099 441 T CA 0.211 62.188 62.100 -0.205 0.000 1.063 441 T CB -0.480 68.290 68.868 -0.163 0.000 0.948 441 T HN 0.808 nan 8.240 nan 0.000 0.506 442 G N 1.336 109.822 108.800 -0.522 0.000 2.349 442 G HA2 0.365 4.325 3.960 0.001 0.000 0.232 442 G HA3 0.365 4.325 3.960 0.001 0.000 0.232 442 G C -0.516 174.319 174.900 -0.108 0.000 1.240 442 G CA -0.208 44.710 45.100 -0.303 0.000 0.870 442 G HN 0.433 nan 8.290 nan 0.000 0.528 443 V N 2.269 122.086 119.914 -0.161 0.000 2.495 443 V HA 0.858 4.978 4.120 0.001 0.000 0.298 443 V C 0.805 176.783 176.094 -0.193 0.000 1.031 443 V CA 0.266 62.488 62.300 -0.131 0.000 0.871 443 V CB 1.463 33.204 31.823 -0.135 0.000 0.988 443 V HN 1.191 nan 8.190 nan 0.000 0.432 444 G N 3.687 112.396 108.800 -0.152 0.000 2.921 444 G HA2 0.610 4.570 3.960 0.001 0.000 0.291 444 G HA3 0.610 4.570 3.960 0.001 0.000 0.291 444 G C -2.342 172.425 174.900 -0.221 0.000 1.370 444 G CA -0.765 44.196 45.100 -0.232 0.000 0.847 444 G HN 0.427 nan 8.290 nan 0.000 0.532 445 P HA 0.048 nan 4.420 nan 0.000 0.233 445 P C 1.347 178.610 177.300 -0.063 0.000 1.167 445 P CA 1.227 64.214 63.100 -0.188 0.000 0.770 445 P CB 0.309 31.877 31.700 -0.221 0.000 0.837 446 G N 0.914 109.704 108.800 -0.016 0.000 2.838 446 G HA2 -0.084 3.877 3.960 0.001 0.000 0.210 446 G HA3 -0.084 3.877 3.960 0.001 0.000 0.210 446 G C 0.852 175.762 174.900 0.018 0.000 1.153 446 G CA -0.025 45.085 45.100 0.018 0.000 0.778 446 G HN 0.362 nan 8.290 nan 0.000 0.539 447 N N 0.013 118.716 118.700 0.004 0.000 2.497 447 N HA 0.186 4.926 4.740 0.001 0.000 0.284 447 N C -0.580 174.918 175.510 -0.020 0.000 1.459 447 N CA -0.554 52.501 53.050 0.008 0.000 0.899 447 N CB 0.199 38.707 38.487 0.035 0.000 1.316 447 N HN -0.076 nan 8.380 nan 0.000 0.500 448 L N 3.347 124.549 121.223 -0.035 0.000 2.456 448 L HA 0.346 4.687 4.340 0.001 0.000 0.277 448 L C -1.837 175.008 176.870 -0.041 0.000 1.124 448 L CA -1.622 53.188 54.840 -0.050 0.000 0.880 448 L CB 0.181 42.213 42.059 -0.045 0.000 1.192 448 L HN 0.183 nan 8.230 nan 0.000 0.463 449 P HA 0.018 nan 4.420 nan 0.000 0.271 449 P C -0.197 177.076 177.300 -0.046 0.000 1.233 449 P CA -0.460 62.619 63.100 -0.035 0.000 0.789 449 P CB 0.873 32.556 31.700 -0.028 0.000 0.951 450 I N 1.855 122.399 120.570 -0.043 0.000 2.529 450 I HA 0.209 4.380 4.170 0.001 0.000 0.284 450 I C 0.969 177.064 176.117 -0.038 0.000 1.082 450 I CA 0.431 61.700 61.300 -0.051 0.000 1.406 450 I CB -0.209 37.765 38.000 -0.043 0.000 1.405 450 I HN 0.432 nan 8.210 nan 0.000 0.548 451 M N 4.069 123.645 119.600 -0.040 0.000 2.683 451 M HA 0.381 4.861 4.480 0.001 0.000 0.274 451 M C -0.707 175.587 176.300 -0.011 0.000 1.272 451 M CA -0.580 54.708 55.300 -0.020 0.000 0.833 451 M CB 2.806 35.397 32.600 -0.016 0.000 1.708 451 M HN 0.370 nan 8.290 nan 0.000 0.463 452 T N 1.090 115.649 114.554 0.008 0.000 2.886 452 T HA 0.885 5.236 4.350 0.001 0.000 0.292 452 T C -1.526 173.199 174.700 0.042 0.000 1.012 452 T CA -0.635 61.477 62.100 0.020 0.000 0.982 452 T CB 1.807 70.684 68.868 0.016 0.000 1.018 452 T HN 0.747 nan 8.240 nan 0.000 0.451 453 A N 3.779 126.634 122.820 0.059 0.000 2.605 453 A HA 0.816 5.137 4.320 0.001 0.000 0.294 453 A C -3.141 174.500 177.584 0.095 0.000 1.062 453 A CA -1.566 50.521 52.037 0.083 0.000 0.682 453 A CB 0.754 19.817 19.000 0.106 0.000 1.278 453 A HN 0.569 nan 8.150 nan 0.000 0.410 454 P HA 0.368 nan 4.420 nan 0.000 0.266 454 P C 0.165 177.545 177.300 0.133 0.000 1.195 454 P CA 0.401 63.566 63.100 0.108 0.000 0.768 454 P CB 0.637 32.410 31.700 0.121 0.000 0.838 455 A N 3.300 126.194 122.820 0.124 0.000 2.466 455 A HA 0.112 4.432 4.320 0.001 0.000 0.238 455 A C -0.274 177.420 177.584 0.183 0.000 1.074 455 A CA -0.126 52.006 52.037 0.158 0.000 0.774 455 A CB -0.460 18.620 19.000 0.133 0.000 1.015 455 A HN 0.579 nan 8.150 nan 0.000 0.498 456 Y N 1.799 122.140 120.300 0.068 0.000 2.497 456 Y HA 0.374 4.924 4.550 0.001 0.000 0.334 456 Y C -0.279 175.661 175.900 0.066 0.000 1.199 456 Y CA 0.215 58.296 58.100 -0.031 0.000 1.425 456 Y CB 0.545 38.762 38.460 -0.405 0.000 1.291 456 Y HN 0.337 nan 8.280 nan 0.000 0.562 457 V N 9.091 128.615 119.914 -0.649 0.000 2.349 457 V HA 0.296 4.416 4.120 0.001 0.000 0.284 457 V C -2.244 173.347 176.094 -0.838 0.000 1.014 457 V CA -2.141 59.827 62.300 -0.553 0.000 0.826 457 V CB 1.252 32.951 31.823 -0.207 0.000 1.009 457 V HN 0.752 nan 8.190 nan 0.000 0.431 458 P HA 0.145 nan 4.420 nan 0.000 0.261 458 P C 0.979 178.168 177.300 -0.185 0.000 1.173 458 P CA 1.536 64.434 63.100 -0.336 0.000 0.760 458 P CB 0.505 32.150 31.700 -0.091 0.000 0.783 459 G N 1.379 110.133 108.800 -0.077 0.000 2.136 459 G HA2 -0.193 3.767 3.960 0.001 0.000 0.242 459 G HA3 -0.193 3.767 3.960 0.001 0.000 0.242 459 G C 0.210 175.053 174.900 -0.096 0.000 0.989 459 G CA -0.012 45.056 45.100 -0.053 0.000 0.682 459 G HN 0.591 nan 8.290 nan 0.000 0.522 460 T N 0.857 115.324 114.554 -0.145 0.000 2.895 460 T HA 0.613 4.964 4.350 0.001 0.000 0.283 460 T C 0.137 174.676 174.700 -0.269 0.000 1.014 460 T CA 0.103 62.036 62.100 -0.280 0.000 1.037 460 T CB 1.732 70.299 68.868 -0.502 0.000 1.006 460 T HN 0.133 nan 8.240 nan 0.000 0.468 461 T N 3.246 117.623 114.554 -0.295 0.000 2.753 461 T HA 0.428 4.779 4.350 0.001 0.000 0.297 461 T C -0.920 173.672 174.700 -0.181 0.000 0.981 461 T CA -0.287 61.731 62.100 -0.136 0.000 0.956 461 T CB -0.137 68.672 68.868 -0.098 0.000 0.936 461 T HN 0.357 nan 8.240 nan 0.000 0.463 462 Y N 1.594 121.990 120.300 0.160 0.000 2.361 462 Y HA 0.608 5.158 4.550 0.001 0.000 0.332 462 Y C 0.681 176.658 175.900 0.129 0.000 1.101 462 Y CA -1.030 57.152 58.100 0.135 0.000 1.137 462 Y CB 0.953 39.472 38.460 0.099 0.000 1.207 462 Y HN 0.723 nan 8.280 nan 0.000 0.463 463 A N 2.237 125.214 122.820 0.262 0.000 2.257 463 A HA 0.323 4.643 4.320 0.001 0.000 0.289 463 A C -0.240 177.269 177.584 -0.125 0.000 1.095 463 A CA -0.831 51.208 52.037 0.003 0.000 0.836 463 A CB 0.337 19.376 19.000 0.065 0.000 1.111 463 A HN 0.800 nan 8.150 nan 0.000 0.497 464 Q N -0.078 119.580 119.800 -0.237 0.000 2.255 464 Q HA 0.386 4.727 4.340 0.001 0.000 0.280 464 Q C 0.824 176.750 176.000 -0.122 0.000 1.068 464 Q CA 0.982 56.669 55.803 -0.193 0.000 0.911 464 Q CB -0.019 28.631 28.738 -0.147 0.000 1.157 464 Q HN 1.923 nan 8.270 nan 0.000 0.380 465 G N 2.166 110.886 108.800 -0.134 0.000 2.176 465 G HA2 -0.255 3.706 3.960 0.001 0.000 0.232 465 G HA3 -0.255 3.706 3.960 0.001 0.000 0.232 465 G C 0.196 175.082 174.900 -0.023 0.000 0.986 465 G CA -0.162 44.899 45.100 -0.065 0.000 0.643 465 G HN 1.101 nan 8.290 nan 0.000 0.522 466 A N 0.156 122.961 122.820 -0.025 0.000 2.483 466 A HA 0.643 4.964 4.320 0.001 0.000 0.238 466 A C 0.400 178.044 177.584 0.099 0.000 1.070 466 A CA 0.450 52.534 52.037 0.078 0.000 0.770 466 A CB 0.286 19.405 19.000 0.198 0.000 1.008 466 A HN 0.943 nan 8.150 nan 0.000 0.497 467 L N 2.700 124.011 121.223 0.146 0.000 2.313 467 L HA 0.642 4.982 4.340 0.001 0.000 0.283 467 L C -0.236 176.742 176.870 0.179 0.000 1.013 467 L CA -0.736 54.206 54.840 0.169 0.000 0.816 467 L CB 1.627 43.760 42.059 0.122 0.000 1.236 467 L HN 0.696 nan 8.230 nan 0.000 0.419 468 V N -0.028 120.006 119.914 0.200 0.000 3.159 468 V HA 0.814 4.935 4.120 0.001 0.000 0.308 468 V C -0.343 175.877 176.094 0.210 0.000 1.190 468 V CA -0.692 61.696 62.300 0.145 0.000 1.037 468 V CB 2.051 33.867 31.823 -0.012 0.000 1.060 468 V HN 0.745 nan 8.190 nan 0.000 0.437 469 S N 1.666 117.492 115.700 0.210 0.000 2.501 469 S HA 0.873 5.343 4.470 0.001 0.000 0.301 469 S C -1.166 173.641 174.600 0.343 0.000 1.096 469 S CA -0.552 57.804 58.200 0.260 0.000 1.063 469 S CB 1.436 64.729 63.200 0.156 0.000 1.042 469 S HN 1.744 nan 8.310 nan 0.000 0.494 470 Y N 1.230 121.672 120.300 0.237 0.000 2.424 470 Y HA 0.255 4.806 4.550 0.001 0.000 0.323 470 Y C -0.609 175.456 175.900 0.275 0.000 1.174 470 Y CA -0.419 57.763 58.100 0.137 0.000 1.060 470 Y CB 1.245 39.591 38.460 -0.190 0.000 1.314 470 Y HN 0.958 nan 8.280 nan 0.000 0.439 471 Q N 4.388 124.013 119.800 -0.292 0.000 2.423 471 Q HA -0.257 4.083 4.340 0.001 0.000 0.332 471 Q C 1.061 177.105 176.000 0.073 0.000 1.355 471 Q CA 1.514 57.202 55.803 -0.191 0.000 0.947 471 Q CB -1.521 27.041 28.738 -0.292 0.000 1.189 471 Q HN 1.525 nan 8.270 nan 0.000 0.418 472 G N -2.024 106.774 108.800 -0.003 0.000 2.217 472 G HA2 -0.330 3.630 3.960 0.001 0.000 0.246 472 G HA3 -0.330 3.630 3.960 0.001 0.000 0.246 472 G C -0.329 174.322 174.900 -0.414 0.000 0.990 472 G CA 0.363 45.353 45.100 -0.183 0.000 0.627 472 G HN 0.398 nan 8.290 nan 0.000 0.522 473 Y N -1.233 119.050 120.300 -0.029 0.000 2.605 473 Y HA 0.664 5.215 4.550 0.001 0.000 0.343 473 Y C 0.177 175.968 175.900 -0.182 0.000 1.036 473 Y CA -1.105 56.838 58.100 -0.261 0.000 1.065 473 Y CB 2.173 40.185 38.460 -0.747 0.000 1.288 473 Y HN 0.082 nan 8.280 nan 0.000 0.481 474 V N 1.896 121.762 119.914 -0.080 0.000 2.394 474 V HA 0.290 4.410 4.120 0.001 0.000 0.282 474 V C -1.188 174.869 176.094 -0.062 0.000 1.031 474 V CA -0.763 61.559 62.300 0.037 0.000 0.881 474 V CB 0.351 32.189 31.823 0.025 0.000 0.982 474 V HN 0.644 nan 8.190 nan 0.000 0.451 475 W N 2.927 124.263 121.300 0.061 0.000 2.719 475 W HA 0.727 5.387 4.660 0.001 0.000 0.352 475 W C -0.069 176.560 176.519 0.185 0.000 1.085 475 W CA -0.655 56.749 57.345 0.100 0.000 1.187 475 W CB 1.176 30.666 29.460 0.049 0.000 1.417 475 W HN 0.403 nan 8.180 nan 0.000 0.557 476 Q N 1.034 121.089 119.800 0.425 0.000 2.323 476 Q HA 0.420 4.760 4.340 0.001 0.000 0.271 476 Q C -0.439 175.570 176.000 0.015 0.000 1.048 476 Q CA -0.592 55.329 55.803 0.197 0.000 0.792 476 Q CB 1.928 30.712 28.738 0.078 0.000 1.280 476 Q HN 0.561 nan 8.270 nan 0.000 0.441 477 T N 0.765 115.108 114.554 -0.351 0.000 2.870 477 T HA 0.246 4.596 4.350 0.001 0.000 0.300 477 T C 0.529 174.948 174.700 -0.468 0.000 0.989 477 T CA -0.389 61.229 62.100 -0.803 0.000 1.139 477 T CB 0.991 69.263 68.868 -0.993 0.000 0.920 477 T HN 0.692 nan 8.240 nan 0.000 0.537 478 K N 1.655 121.740 120.400 -0.524 0.000 2.365 478 K HA 0.198 4.518 4.320 0.001 0.000 0.197 478 K C -0.016 176.575 176.600 -0.014 0.000 1.042 478 K CA 0.201 56.377 56.287 -0.186 0.000 0.987 478 K CB 0.111 32.593 32.500 -0.029 0.000 0.779 478 K HN 0.859 nan 8.250 nan 0.000 0.484 479 W N -1.412 119.762 121.300 -0.210 0.000 2.989 479 W HA 0.609 5.269 4.660 0.001 0.000 0.344 479 W C -0.863 175.507 176.519 -0.247 0.000 1.233 479 W CA -1.145 56.080 57.345 -0.199 0.000 1.187 479 W CB 0.275 29.641 29.460 -0.156 0.000 1.443 479 W HN -0.125 nan 8.180 nan 0.000 0.573 480 G N -0.430 108.397 108.800 0.044 0.000 2.721 480 G HA2 0.600 4.561 3.960 0.001 0.000 0.296 480 G HA3 0.600 4.561 3.960 0.001 0.000 0.296 480 G C -2.400 172.486 174.900 -0.024 0.000 1.383 480 G CA -1.234 43.809 45.100 -0.094 0.000 0.788 480 G HN 0.565 nan 8.290 nan 0.000 0.500 481 Y N -0.056 120.296 120.300 0.087 0.000 2.299 481 Y HA 0.578 5.128 4.550 0.001 0.000 0.326 481 Y C 1.015 176.944 175.900 0.048 0.000 1.164 481 Y CA -0.196 57.929 58.100 0.043 0.000 1.234 481 Y CB 1.310 39.788 38.460 0.030 0.000 1.219 481 Y HN 0.547 nan 8.280 nan 0.000 0.497 482 I N -1.521 119.147 120.570 0.164 0.000 2.828 482 I HA 0.584 4.755 4.170 0.001 0.000 0.302 482 I C 0.258 176.520 176.117 0.242 0.000 1.101 482 I CA -0.807 60.569 61.300 0.126 0.000 1.031 482 I CB 2.690 40.642 38.000 -0.079 0.000 1.231 482 I HN 0.601 nan 8.210 nan 0.000 0.427 483 T N -1.301 113.395 114.554 0.236 0.000 3.040 483 T HA 0.202 4.553 4.350 0.001 0.000 0.266 483 T C 0.698 175.603 174.700 0.341 0.000 1.005 483 T CA 0.296 62.571 62.100 0.291 0.000 0.906 483 T CB -0.454 68.513 68.868 0.165 0.000 1.082 483 T HN 0.805 nan 8.240 nan 0.000 0.531 484 S N 1.541 117.411 115.700 0.284 0.000 2.579 484 S HA 0.649 5.120 4.470 0.001 0.000 0.275 484 S C 0.489 175.095 174.600 0.011 0.000 1.345 484 S CA -0.557 57.753 58.200 0.183 0.000 1.031 484 S CB 0.615 63.905 63.200 0.150 0.000 0.892 484 S HN 0.700 nan 8.310 nan 0.000 0.529 485 A N 2.810 125.396 122.820 -0.390 0.000 2.401 485 A HA 0.563 4.884 4.320 0.001 0.000 0.259 485 A C -2.465 174.220 177.584 -1.498 0.000 1.103 485 A CA -1.871 49.398 52.037 -1.282 0.000 0.789 485 A CB -0.641 17.859 19.000 -0.832 0.000 1.035 485 A HN 0.683 nan 8.150 nan 0.000 0.491 486 P HA 0.199 nan 4.420 nan 0.000 0.261 486 P C 1.061 177.371 177.300 -1.650 0.000 1.183 486 P CA 2.089 63.609 63.100 -2.634 0.000 0.761 486 P CB 0.578 30.373 31.700 -3.176 0.000 0.785 487 G N 2.800 110.931 108.800 -1.115 0.000 2.195 487 G HA2 -0.301 3.660 3.960 0.001 0.000 0.246 487 G HA3 -0.301 3.660 3.960 0.001 0.000 0.246 487 G C 1.164 175.916 174.900 -0.247 0.000 0.984 487 G CA 0.475 45.264 45.100 -0.519 0.000 0.633 487 G HN 0.589 nan 8.290 nan 0.000 0.525 488 S N 0.099 115.630 115.700 -0.282 0.000 2.527 488 S HA 0.365 4.836 4.470 0.001 0.000 0.222 488 S C 0.879 175.454 174.600 -0.042 0.000 0.985 488 S CA 1.477 59.596 58.200 -0.135 0.000 0.921 488 S CB 0.074 63.182 63.200 -0.154 0.000 0.772 488 S HN 0.949 nan 8.310 nan 0.000 0.529 489 D N 0.843 121.235 120.400 -0.014 0.000 4.224 489 D HA 0.284 4.924 4.640 0.001 0.000 0.305 489 D C 0.089 176.437 176.300 0.081 0.000 1.612 489 D CA 0.194 54.227 54.000 0.055 0.000 0.977 489 D CB -0.169 40.684 40.800 0.089 0.000 1.419 489 D HN 0.176 nan 8.370 nan 0.000 0.661 490 S N -1.627 114.150 115.700 0.128 0.000 2.846 490 S HA 0.574 5.044 4.470 0.001 0.000 0.249 490 S C 1.010 175.635 174.600 0.042 0.000 1.028 490 S CA 0.101 58.391 58.200 0.150 0.000 1.043 490 S CB 0.353 63.686 63.200 0.222 0.000 0.990 490 S HN 0.667 nan 8.310 nan 0.000 0.564 491 A N 0.412 123.087 122.820 -0.241 0.000 2.178 491 A HA 0.405 4.726 4.320 0.001 0.000 0.211 491 A C 0.046 177.113 177.584 -0.860 0.000 1.157 491 A CA -0.153 51.217 52.037 -1.112 0.000 0.780 491 A CB -0.278 17.962 19.000 -1.267 0.000 0.828 491 A HN 0.642 nan 8.150 nan 0.000 0.476 492 W N -1.201 119.881 121.300 -0.363 0.000 2.606 492 W HA 0.606 5.266 4.660 0.001 0.000 0.332 492 W C -0.632 175.927 176.519 0.067 0.000 1.052 492 W CA -0.869 56.364 57.345 -0.187 0.000 1.223 492 W CB 1.361 30.646 29.460 -0.292 0.000 1.383 492 W HN 0.027 nan 8.180 nan 0.000 0.524 493 L N 3.543 124.982 121.223 0.360 0.000 2.325 493 L HA 0.479 4.820 4.340 0.001 0.000 0.281 493 L C -0.375 176.569 176.870 0.123 0.000 1.004 493 L CA -1.157 53.804 54.840 0.201 0.000 0.823 493 L CB 0.951 43.044 42.059 0.058 0.000 1.236 493 L HN 0.279 nan 8.230 nan 0.000 0.415 494 K N 4.004 124.284 120.400 -0.201 0.000 2.412 494 K HA 0.216 4.537 4.320 0.001 0.000 0.284 494 K C 0.689 177.104 176.600 -0.308 0.000 1.046 494 K CA 0.319 56.240 56.287 -0.610 0.000 0.999 494 K CB 0.891 32.843 32.500 -0.914 0.000 0.941 494 K HN 0.672 nan 8.250 nan 0.000 0.474 495 V N -0.347 119.440 119.914 -0.212 0.000 3.604 495 V HA 0.372 4.492 4.120 0.001 0.000 0.277 495 V C 0.556 176.592 176.094 -0.098 0.000 1.399 495 V CA 0.247 62.473 62.300 -0.122 0.000 1.034 495 V CB 0.651 32.442 31.823 -0.054 0.000 0.824 495 V HN 0.711 nan 8.190 nan 0.000 0.439 496 G N -0.026 108.715 108.800 -0.099 0.000 2.623 496 G HA2 0.629 4.590 3.960 0.001 0.000 0.290 496 G HA3 0.629 4.590 3.960 0.001 0.000 0.290 496 G C -1.625 173.234 174.900 -0.068 0.000 1.437 496 G CA -1.177 43.883 45.100 -0.066 0.000 0.798 496 G HN 0.173 nan 8.290 nan 0.000 0.488 497 R N -0.198 120.232 120.500 -0.116 0.000 2.407 497 R HA 0.556 4.896 4.340 0.001 0.000 0.303 497 R C -0.334 175.848 176.300 -0.197 0.000 0.981 497 R CA -0.660 55.289 56.100 -0.251 0.000 0.905 497 R CB 2.256 32.410 30.300 -0.243 0.000 1.099 497 R HN 0.294 nan 8.270 nan 0.000 0.459 498 V N 3.132 122.902 119.914 -0.241 0.000 2.614 498 V HA 0.173 4.293 4.120 0.001 0.000 0.291 498 V C 0.884 176.898 176.094 -0.134 0.000 1.049 498 V CA -0.160 62.055 62.300 -0.142 0.000 1.038 498 V CB 1.124 32.873 31.823 -0.122 0.000 0.980 498 V HN 0.938 nan 8.190 nan 0.000 0.481 499 A N 0.000 122.769 122.820 -0.085 0.000 2.254 499 A HA 0.000 4.320 4.320 0.001 0.000 0.244 499 A CA 0.000 51.994 52.037 -0.071 0.000 0.836 499 A CB 0.000 18.972 19.000 -0.047 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486