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 1fta_1_C DATA FIRST_RESID 9 DATA SEQUENCE DVVTLTRFVM EEGRKARGTG ELTQLLNSLC TAVKAISSAV RKAGIAHLYG DATA SEQUENCE IAGXXXXXXX XXXKLDVLSN DLVMNMLKSS FATCVLVSEE DKHAIIVEPE DATA SEQUENCE KRGKYVVCFD PLDGSSNIDC LVSVGTIFGI YRKKSTDEPS EKDALQPGRN DATA SEQUENCE LVAAGYALYG SATMLVLAMD CGVNCFMLDP AIGEFILVDK DVKIKKKGKI DATA SEQUENCE YSLNEAYAKD FDPAVTEYIQ RKKFPPDNSA PYGARYVGSM VADVHRTLVY DATA SEQUENCE GGIFLYPANK KSPNGKLRLL YECNPMAYVM EKAGGMATTG KEAVLDVIPT DATA SEQUENCE DIHQRAPIIL GSPDDVLEFL KVYEKHS 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 9 D HA 0.000 nan 4.640 nan 0.000 0.175 9 D C 0.000 176.320 176.300 0.033 0.000 2.045 9 D CA 0.000 54.017 54.000 0.027 0.000 0.868 9 D CB 0.000 40.821 40.800 0.034 0.000 0.688 10 V N -1.551 118.383 119.914 0.034 0.000 2.928 10 V HA 0.118 nan 4.120 nan 0.000 0.307 10 V C -0.397 175.737 176.094 0.067 0.000 1.105 10 V CA -0.499 61.827 62.300 0.043 0.000 1.223 10 V CB -0.269 31.581 31.823 0.045 0.000 0.930 10 V HN -0.053 8.155 8.190 0.030 0.000 0.499 11 V N 1.842 121.808 119.914 0.088 0.000 2.789 11 V HA 0.386 nan 4.120 nan 0.000 0.311 11 V C -0.766 175.443 176.094 0.192 0.000 1.073 11 V CA -0.904 61.483 62.300 0.144 0.000 0.921 11 V CB 3.204 35.138 31.823 0.185 0.000 1.009 11 V HN 0.259 8.492 8.190 0.071 0.000 0.426 12 T N 1.664 116.345 114.554 0.212 0.000 2.952 12 T HA 0.704 nan 4.350 nan 0.000 0.286 12 T C 0.482 175.330 174.700 0.248 0.000 1.024 12 T CA -1.685 60.551 62.100 0.227 0.000 1.029 12 T CB 2.910 71.862 68.868 0.140 0.000 1.094 12 T HN -0.232 8.123 8.240 0.191 0.000 0.515 13 L N 1.270 122.558 121.223 0.108 0.000 2.083 13 L HA -0.246 nan 4.340 nan 0.000 0.209 13 L C 1.250 178.092 176.870 -0.047 0.000 1.083 13 L CA 3.865 58.538 54.840 -0.278 0.000 0.752 13 L CB -0.556 41.174 42.059 -0.548 0.000 0.899 13 L HN 0.601 8.951 8.230 0.200 0.000 0.433 14 T N 0.905 115.474 114.554 0.025 0.000 2.674 14 T HA -0.382 nan 4.350 nan 0.000 0.265 14 T C 1.775 176.507 174.700 0.053 0.000 1.039 14 T CA 4.727 66.842 62.100 0.026 0.000 1.150 14 T CB -0.700 68.186 68.868 0.030 0.000 0.864 14 T HN -0.047 8.224 8.240 0.051 0.000 0.427 15 R N 2.050 122.605 120.500 0.092 0.000 2.081 15 R HA -0.337 nan 4.340 nan 0.000 0.235 15 R C 1.658 178.032 176.300 0.123 0.000 1.131 15 R CA 3.177 59.334 56.100 0.094 0.000 0.960 15 R CB -0.204 30.160 30.300 0.107 0.000 0.856 15 R HN -0.585 7.745 8.270 0.100 0.000 0.436 16 F N -0.518 119.464 119.950 0.054 0.000 2.102 16 F HA -0.367 nan 4.527 nan 0.000 0.298 16 F C 1.549 177.364 175.800 0.025 0.000 1.105 16 F CA 3.895 61.941 58.000 0.077 0.000 1.239 16 F CB 0.156 39.274 39.000 0.197 0.000 0.991 16 F HN -0.090 8.409 8.300 0.333 0.000 0.474 17 V N -0.196 119.717 119.914 -0.000 0.000 2.407 17 V HA -0.496 nan 4.120 nan 0.000 0.248 17 V C 2.152 178.162 176.094 -0.140 0.000 1.055 17 V CA 4.524 66.750 62.300 -0.123 0.000 1.049 17 V CB -0.922 30.870 31.823 -0.051 0.000 0.662 17 V HN -0.218 8.062 8.190 0.151 0.000 0.455 18 M N -0.446 119.107 119.600 -0.079 0.000 2.086 18 M HA -0.407 nan 4.480 nan 0.000 0.261 18 M C 2.176 178.423 176.300 -0.088 0.000 1.067 18 M CA 2.002 57.263 55.300 -0.064 0.000 1.116 18 M CB -1.637 30.946 32.600 -0.029 0.000 1.348 18 M HN -0.286 7.981 8.290 -0.039 0.000 0.407 19 E N -0.555 119.581 120.200 -0.107 0.000 2.051 19 E HA -0.361 nan 4.350 nan 0.000 0.192 19 E C 2.460 178.962 176.600 -0.164 0.000 0.991 19 E CA 3.364 59.695 56.400 -0.114 0.000 0.799 19 E CB -0.548 29.092 29.700 -0.099 0.000 0.748 19 E HN -0.242 8.066 8.360 -0.088 0.000 0.449 20 E N -1.406 118.622 120.200 -0.287 0.000 2.130 20 E HA -0.331 nan 4.350 nan 0.000 0.196 20 E C 2.737 179.252 176.600 -0.143 0.000 0.998 20 E CA 2.489 58.731 56.400 -0.262 0.000 0.806 20 E CB -0.662 28.802 29.700 -0.393 0.000 0.738 20 E HN -0.203 7.915 8.360 -0.404 0.000 0.459 21 G N -1.124 107.601 108.800 -0.125 0.000 2.446 21 G HA2 -0.349 nan 3.960 nan 0.000 0.217 21 G HA3 -0.349 nan 3.960 nan 0.000 0.217 21 G C 1.341 176.211 174.900 -0.050 0.000 1.168 21 G CA 1.972 47.028 45.100 -0.073 0.000 0.771 21 G HN 0.251 8.362 8.290 -0.152 0.087 0.551 22 R N 0.761 121.230 120.500 -0.052 0.000 2.115 22 R HA -0.216 nan 4.340 nan 0.000 0.226 22 R C 3.282 179.564 176.300 -0.031 0.000 1.100 22 R CA 2.947 59.026 56.100 -0.034 0.000 0.980 22 R CB -0.106 30.175 30.300 -0.031 0.000 0.875 22 R HN -0.059 8.082 8.270 -0.068 0.088 0.445 23 K N 0.844 121.218 120.400 -0.044 0.000 2.057 23 K HA -0.244 nan 4.320 nan 0.000 0.206 23 K C 1.615 178.201 176.600 -0.022 0.000 1.050 23 K CA 2.627 58.894 56.287 -0.033 0.000 0.935 23 K CB -0.146 32.328 32.500 -0.044 0.000 0.715 23 K HN 0.039 8.251 8.250 -0.063 0.000 0.439 24 A N -3.438 119.367 122.820 -0.025 0.000 2.235 24 A HA 0.011 nan 4.320 nan 0.000 0.208 24 A C -0.516 177.070 177.584 0.003 0.000 1.172 24 A CA -0.318 51.714 52.037 -0.007 0.000 0.786 24 A CB -0.122 18.873 19.000 -0.007 0.000 0.804 24 A HN -0.334 7.713 8.150 -0.040 0.079 0.479 25 R N -3.023 117.476 120.500 -0.002 0.000 3.516 25 R HA -0.346 nan 4.340 nan 0.000 0.271 25 R C 0.352 176.660 176.300 0.013 0.000 1.098 25 R CA 0.074 56.176 56.100 0.004 0.000 0.732 25 R CB -2.459 27.844 30.300 0.006 0.000 1.152 25 R HN -0.611 7.455 8.270 -0.010 0.198 0.455 26 G N -1.814 106.995 108.800 0.015 0.000 2.599 26 G HA2 -0.033 nan 3.960 nan 0.000 0.264 26 G HA3 -0.033 nan 3.960 nan 0.000 0.264 26 G C 0.609 175.527 174.900 0.030 0.000 1.200 26 G CA -0.094 45.025 45.100 0.032 0.000 0.896 26 G HN -0.693 7.584 8.290 0.005 0.015 0.536 27 T N -4.137 110.444 114.554 0.046 0.000 3.081 27 T HA 0.030 nan 4.350 nan 0.000 0.255 27 T C 1.242 175.963 174.700 0.035 0.000 1.113 27 T CA 0.051 62.173 62.100 0.037 0.000 1.082 27 T CB -0.194 68.699 68.868 0.042 0.000 0.939 27 T HN 0.345 8.626 8.240 0.068 0.000 0.506 28 G N 1.085 109.909 108.800 0.039 0.000 2.168 28 G HA2 -0.296 nan 3.960 nan 0.000 0.197 28 G HA3 -0.296 nan 3.960 nan 0.000 0.197 28 G C 0.273 175.199 174.900 0.043 0.000 0.997 28 G CA 0.006 45.122 45.100 0.026 0.000 0.658 28 G HN -0.199 8.088 8.290 0.052 0.034 0.513 29 E N 0.801 121.056 120.200 0.093 0.000 2.028 29 E HA -0.255 nan 4.350 nan 0.000 0.190 29 E C 0.986 177.619 176.600 0.054 0.000 0.984 29 E CA 2.951 59.438 56.400 0.144 0.000 0.800 29 E CB 0.083 29.958 29.700 0.291 0.000 0.758 29 E HN -0.152 8.275 8.360 0.113 0.000 0.448 30 L N -0.990 120.213 121.223 -0.034 0.000 2.046 30 L HA -0.198 nan 4.340 nan 0.000 0.208 30 L C 1.476 178.236 176.870 -0.184 0.000 1.077 30 L CA 3.503 58.150 54.840 -0.323 0.000 0.747 30 L CB -0.657 41.162 42.059 -0.400 0.000 0.896 30 L HN -0.049 8.245 8.230 0.107 0.000 0.432 31 T N 1.078 115.573 114.554 -0.099 0.000 2.759 31 T HA -0.313 nan 4.350 nan 0.000 0.269 31 T C 2.647 177.300 174.700 -0.079 0.000 1.042 31 T CA 4.506 66.555 62.100 -0.086 0.000 1.140 31 T CB -0.661 68.174 68.868 -0.055 0.000 0.864 31 T HN -0.065 8.137 8.240 -0.063 0.000 0.455 32 Q N 0.945 120.716 119.800 -0.049 0.000 2.119 32 Q HA -0.233 nan 4.340 nan 0.000 0.201 32 Q C 2.318 178.273 176.000 -0.076 0.000 0.972 32 Q CA 2.892 58.673 55.803 -0.036 0.000 0.847 32 Q CB -0.519 28.230 28.738 0.017 0.000 0.903 32 Q HN -0.230 8.019 8.270 -0.029 0.004 0.433 33 L N 0.895 122.055 121.223 -0.106 0.000 2.083 33 L HA -0.223 nan 4.340 nan 0.000 0.209 33 L C 1.722 178.467 176.870 -0.209 0.000 1.083 33 L CA 3.033 57.780 54.840 -0.155 0.000 0.752 33 L CB -0.456 41.492 42.059 -0.186 0.000 0.899 33 L HN -0.038 8.058 8.230 -0.098 0.076 0.433 34 L N -2.257 118.840 121.223 -0.209 0.000 2.156 34 L HA -0.454 nan 4.340 nan 0.000 0.208 34 L C 2.108 178.859 176.870 -0.199 0.000 1.095 34 L CA 3.242 57.942 54.840 -0.233 0.000 0.770 34 L CB -0.964 40.980 42.059 -0.191 0.000 0.914 34 L HN 0.377 8.494 8.230 -0.188 0.000 0.439 35 N N 0.390 119.006 118.700 -0.140 0.000 2.142 35 N HA -0.344 nan 4.740 nan 0.000 0.186 35 N C 2.436 177.879 175.510 -0.111 0.000 1.023 35 N CA 3.509 56.497 53.050 -0.102 0.000 0.852 35 N CB -0.014 38.433 38.487 -0.066 0.000 0.998 35 N HN 0.074 8.377 8.380 -0.127 0.000 0.424 36 S N 1.225 116.848 115.700 -0.129 0.000 2.370 36 S HA -0.306 nan 4.470 nan 0.000 0.226 36 S C 1.858 176.352 174.600 -0.177 0.000 1.033 36 S CA 3.995 62.111 58.200 -0.140 0.000 1.011 36 S CB -0.090 63.019 63.200 -0.151 0.000 0.852 36 S HN -0.063 8.171 8.310 -0.126 0.000 0.457 37 L N 1.242 122.316 121.223 -0.249 0.000 2.093 37 L HA -0.212 nan 4.340 nan 0.000 0.208 37 L C 1.401 178.130 176.870 -0.234 0.000 1.085 37 L CA 2.775 57.416 54.840 -0.332 0.000 0.755 37 L CB -0.500 41.238 42.059 -0.535 0.000 0.904 37 L HN -0.242 7.834 8.230 -0.258 0.000 0.435 38 C N -0.810 118.381 119.300 -0.181 0.000 2.413 38 C HA -0.497 nan 4.460 nan 0.000 0.277 38 C C 1.642 176.668 174.990 0.061 0.000 1.228 38 C CA 4.327 63.322 59.018 -0.040 0.000 1.731 38 C CB -1.981 25.743 27.740 -0.026 0.000 2.042 38 C HN 0.065 8.170 8.230 -0.207 0.000 0.468 39 T N 1.912 116.462 114.554 -0.007 0.000 2.708 39 T HA -0.415 nan 4.350 nan 0.000 0.266 39 T C 1.829 176.522 174.700 -0.011 0.000 1.037 39 T CA 5.234 67.330 62.100 -0.006 0.000 1.146 39 T CB -0.520 68.326 68.868 -0.036 0.000 0.865 39 T HN -0.369 7.843 8.240 -0.047 0.000 0.435 40 A N 0.890 123.680 122.820 -0.050 0.000 1.892 40 A HA -0.308 nan 4.320 nan 0.000 0.218 40 A C 1.757 179.343 177.584 0.004 0.000 1.188 40 A CA 3.299 55.302 52.037 -0.056 0.000 0.631 40 A CB -0.952 17.976 19.000 -0.121 0.000 0.822 40 A HN -0.211 7.889 8.150 -0.084 0.000 0.447 41 V N -1.049 118.896 119.914 0.053 0.000 2.295 41 V HA -0.523 nan 4.120 nan 0.000 0.246 41 V C 2.169 178.392 176.094 0.216 0.000 1.049 41 V CA 4.830 67.245 62.300 0.191 0.000 1.024 41 V CB -0.893 31.058 31.823 0.213 0.000 0.648 41 V HN 0.063 8.255 8.190 0.008 0.003 0.447 42 K N -1.464 119.035 120.400 0.165 0.000 2.209 42 K HA -0.370 nan 4.320 nan 0.000 0.204 42 K C 2.136 178.733 176.600 -0.005 0.000 1.048 42 K CA 3.534 59.851 56.287 0.050 0.000 0.940 42 K CB -0.438 32.038 32.500 -0.039 0.000 0.729 42 K HN -0.149 8.205 8.250 0.175 0.000 0.451 43 A N 0.008 122.822 122.820 -0.011 0.000 1.897 43 A HA -0.161 nan 4.320 nan 0.000 0.215 43 A C 2.022 179.562 177.584 -0.073 0.000 1.181 43 A CA 2.985 54.997 52.037 -0.042 0.000 0.620 43 A CB -0.734 18.243 19.000 -0.038 0.000 0.821 43 A HN -0.004 8.047 8.150 0.007 0.103 0.443 44 I N -1.570 118.953 120.570 -0.079 0.000 2.226 44 I HA -0.637 nan 4.170 nan 0.000 0.245 44 I C 1.741 177.625 176.117 -0.387 0.000 1.100 44 I CA 4.110 65.302 61.300 -0.180 0.000 1.374 44 I CB -0.380 37.548 38.000 -0.121 0.000 1.057 44 I HN 0.259 8.452 8.210 -0.027 0.000 0.413 45 S N -0.036 115.441 115.700 -0.372 0.000 2.359 45 S HA -0.507 nan 4.470 nan 0.000 0.223 45 S C 2.310 176.786 174.600 -0.208 0.000 1.039 45 S CA 4.056 62.034 58.200 -0.370 0.000 1.042 45 S CB -0.269 62.949 63.200 0.030 0.000 0.915 45 S HN 0.232 8.454 8.310 -0.148 0.000 0.439 46 S N 1.791 117.418 115.700 -0.122 0.000 2.359 46 S HA -0.378 nan 4.470 nan 0.000 0.224 46 S C 1.720 176.268 174.600 -0.086 0.000 1.035 46 S CA 3.704 61.854 58.200 -0.082 0.000 1.018 46 S CB -0.090 63.073 63.200 -0.062 0.000 0.876 46 S HN -0.536 7.713 8.310 -0.101 0.000 0.448 47 A N 0.488 123.245 122.820 -0.105 0.000 1.933 47 A HA -0.198 nan 4.320 nan 0.000 0.218 47 A C 2.681 180.209 177.584 -0.094 0.000 1.175 47 A CA 2.968 54.955 52.037 -0.085 0.000 0.628 47 A CB -0.677 18.271 19.000 -0.086 0.000 0.814 47 A HN -0.430 7.647 8.150 -0.122 0.000 0.444 48 V N -0.803 119.012 119.914 -0.164 0.000 2.358 48 V HA -0.312 nan 4.120 nan 0.000 0.246 48 V C 2.114 178.163 176.094 -0.075 0.000 1.047 48 V CA 3.269 65.481 62.300 -0.147 0.000 1.035 48 V CB -0.369 31.277 31.823 -0.296 0.000 0.658 48 V HN 0.164 8.106 8.190 -0.236 0.106 0.452 49 R N -2.912 117.546 120.500 -0.070 0.000 2.328 49 R HA -0.046 nan 4.340 nan 0.000 0.206 49 R C -0.592 175.697 176.300 -0.019 0.000 0.990 49 R CA -0.744 55.338 56.100 -0.030 0.000 1.085 49 R CB -0.675 29.611 30.300 -0.023 0.000 0.998 49 R HN -0.165 7.970 8.270 -0.100 0.075 0.484 50 K N -4.358 116.031 120.400 -0.018 0.000 3.160 50 K HA -0.382 nan 4.320 nan 0.000 0.280 50 K C -0.873 175.736 176.600 0.015 0.000 1.154 50 K CA 0.370 56.659 56.287 0.004 0.000 0.822 50 K CB -2.420 30.085 32.500 0.009 0.000 1.239 50 K HN -0.491 7.517 8.250 -0.032 0.223 0.489 51 A N -1.265 121.557 122.820 0.004 0.000 2.511 51 A HA -0.020 nan 4.320 nan 0.000 0.242 51 A C 0.969 178.579 177.584 0.043 0.000 1.069 51 A CA 1.816 53.863 52.037 0.016 0.000 0.763 51 A CB -0.295 18.704 19.000 -0.001 0.000 1.001 51 A HN -0.732 7.385 8.150 -0.013 0.025 0.498 52 G N 2.123 110.973 108.800 0.084 0.000 2.234 52 G HA2 -0.387 nan 3.960 nan 0.000 0.260 52 G HA3 -0.387 nan 3.960 nan 0.000 0.260 52 G C 1.109 176.127 174.900 0.197 0.000 0.987 52 G CA 0.178 45.379 45.100 0.168 0.000 0.625 52 G HN 0.199 8.533 8.290 0.073 0.000 0.532 53 I N -0.868 119.783 120.570 0.135 0.000 2.700 53 I HA -0.288 nan 4.170 nan 0.000 0.261 53 I C 0.576 176.834 176.117 0.236 0.000 1.219 53 I CA 2.080 63.490 61.300 0.182 0.000 1.463 53 I CB -1.366 36.750 38.000 0.193 0.000 1.092 53 I HN -0.255 7.953 8.210 0.095 0.059 0.452 54 A N 1.091 123.986 122.820 0.125 0.000 1.978 54 A HA -0.413 nan 4.320 nan 0.000 0.220 54 A C 2.024 179.618 177.584 0.017 0.000 1.170 54 A CA 2.985 55.047 52.037 0.040 0.000 0.636 54 A CB -1.131 17.807 19.000 -0.102 0.000 0.810 54 A HN 0.225 8.386 8.150 0.094 0.045 0.448 55 H N -1.989 117.126 119.070 0.076 0.000 2.387 55 H HA -0.266 nan 4.556 nan 0.000 0.299 55 H C 2.826 178.170 175.328 0.027 0.000 1.090 55 H CA 3.879 59.952 56.048 0.042 0.000 1.332 55 H CB -0.054 29.721 29.762 0.021 0.000 1.386 55 H HN -0.193 8.159 8.280 0.176 0.034 0.516 56 L N -0.661 120.642 121.223 0.133 0.000 2.093 56 L HA -0.289 nan 4.340 nan 0.000 0.208 56 L C 1.225 177.988 176.870 -0.179 0.000 1.085 56 L CA 2.759 57.575 54.840 -0.041 0.000 0.755 56 L CB -0.015 41.965 42.059 -0.132 0.000 0.904 56 L HN -0.376 7.846 8.230 0.187 0.121 0.435 57 Y N -2.559 117.745 120.300 0.008 0.000 2.465 57 Y HA -0.058 nan 4.550 nan 0.000 0.311 57 Y C 0.152 176.045 175.900 -0.013 0.000 1.204 57 Y CA -0.003 58.094 58.100 -0.005 0.000 1.272 57 Y CB -0.714 37.738 38.460 -0.013 0.000 1.083 57 Y HN -0.629 7.840 8.280 0.315 0.000 0.508 58 G N -0.179 108.653 108.800 0.053 0.000 2.417 58 G HA2 -0.419 nan 3.960 nan 0.000 0.291 58 G HA3 -0.419 nan 3.960 nan 0.000 0.291 58 G C -0.213 174.697 174.900 0.017 0.000 1.094 58 G CA 0.098 45.215 45.100 0.029 0.000 1.146 58 G HN -0.502 7.595 8.290 0.037 0.215 0.519 59 I N -0.891 119.665 120.570 -0.023 0.000 2.876 59 I HA -0.089 nan 4.170 nan 0.000 0.264 59 I C -0.078 176.012 176.117 -0.045 0.000 1.204 59 I CA 1.550 62.808 61.300 -0.069 0.000 1.485 59 I CB 0.477 38.363 38.000 -0.189 0.000 1.103 59 I HN -0.257 7.937 8.210 -0.026 0.000 0.446 60 A N -1.337 121.478 122.820 -0.008 0.000 2.637 60 A HA 0.272 nan 4.320 nan 0.000 0.293 60 A C -0.675 176.925 177.584 0.026 0.000 1.216 60 A CA -0.330 51.721 52.037 0.023 0.000 0.956 60 A CB -0.026 19.018 19.000 0.073 0.000 1.174 60 A HN 0.222 8.348 8.150 0.007 0.028 0.525 73 L N 5.205 126.431 121.223 0.005 0.000 2.083 73 L HA -0.245 nan 4.340 nan 0.000 0.209 73 L C 0.146 177.018 176.870 0.005 0.000 1.083 73 L CA 2.308 57.148 54.840 -0.001 0.000 0.752 73 L CB -0.188 41.869 42.059 -0.003 0.000 0.899 73 L HN 0.390 8.625 8.230 0.008 0.000 0.433 74 D N -3.214 117.195 120.400 0.015 0.000 2.219 74 D HA -0.240 nan 4.640 nan 0.000 0.205 74 D C 2.420 178.734 176.300 0.023 0.000 0.970 74 D CA 2.970 56.985 54.000 0.025 0.000 0.851 74 D CB -1.417 39.397 40.800 0.024 0.000 0.943 74 D HN 0.357 8.736 8.370 0.015 0.000 0.488 75 V N 0.596 120.518 119.914 0.014 0.000 2.323 75 V HA -0.275 nan 4.120 nan 0.000 0.244 75 V C 1.889 177.992 176.094 0.016 0.000 1.041 75 V CA 3.786 66.094 62.300 0.014 0.000 1.025 75 V CB -0.740 31.086 31.823 0.006 0.000 0.656 75 V HN -0.589 7.579 8.190 0.009 0.028 0.451 76 L N -0.932 120.295 121.223 0.007 0.000 2.042 76 L HA -0.452 nan 4.340 nan 0.000 0.210 76 L C 1.638 178.512 176.870 0.006 0.000 1.076 76 L CA 3.505 58.345 54.840 -0.000 0.000 0.749 76 L CB -0.424 41.628 42.059 -0.012 0.000 0.893 76 L HN -0.649 7.583 8.230 0.003 0.000 0.432 77 S N -0.556 115.153 115.700 0.016 0.000 2.383 77 S HA -0.418 nan 4.470 nan 0.000 0.227 77 S C 2.077 176.723 174.600 0.075 0.000 1.026 77 S CA 3.871 62.091 58.200 0.034 0.000 0.981 77 S CB -0.486 62.743 63.200 0.048 0.000 0.818 77 S HN 0.168 8.426 8.310 0.012 0.059 0.472 78 N N 1.400 120.155 118.700 0.091 0.000 2.142 78 N HA -0.235 nan 4.740 nan 0.000 0.186 78 N C 1.659 177.242 175.510 0.122 0.000 1.023 78 N CA 3.086 56.229 53.050 0.155 0.000 0.852 78 N CB 0.006 38.550 38.487 0.095 0.000 0.998 78 N HN -0.074 8.149 8.380 0.063 0.194 0.424 79 D N 1.017 121.452 120.400 0.058 0.000 2.097 79 D HA -0.214 nan 4.640 nan 0.000 0.197 79 D C 2.562 178.864 176.300 0.004 0.000 0.984 79 D CA 3.528 57.546 54.000 0.030 0.000 0.826 79 D CB -0.252 40.555 40.800 0.012 0.000 0.973 79 D HN 0.062 8.379 8.370 0.045 0.080 0.460 80 L N -0.726 120.491 121.223 -0.009 0.000 2.042 80 L HA -0.375 nan 4.340 nan 0.000 0.210 80 L C 2.321 179.144 176.870 -0.078 0.000 1.076 80 L CA 3.539 58.355 54.840 -0.039 0.000 0.749 80 L CB -0.134 41.903 42.059 -0.036 0.000 0.893 80 L HN 0.242 8.472 8.230 0.000 0.000 0.432 81 V N -0.549 119.306 119.914 -0.098 0.000 2.379 81 V HA -0.440 nan 4.120 nan 0.000 0.245 81 V C 2.305 178.250 176.094 -0.249 0.000 1.044 81 V CA 4.054 66.189 62.300 -0.274 0.000 1.036 81 V CB -0.783 30.737 31.823 -0.505 0.000 0.664 81 V HN -0.270 7.900 8.190 -0.034 0.000 0.453 82 M N -0.911 118.660 119.600 -0.048 0.000 2.065 82 M HA -0.463 nan 4.480 nan 0.000 0.259 82 M C 2.113 178.391 176.300 -0.037 0.000 1.069 82 M CA 2.684 58.006 55.300 0.036 0.000 1.110 82 M CB -1.502 31.163 32.600 0.107 0.000 1.328 82 M HN 0.361 8.564 8.290 0.035 0.107 0.405 83 N N -0.196 118.475 118.700 -0.048 0.000 2.142 83 N HA -0.264 nan 4.740 nan 0.000 0.186 83 N C 2.480 177.926 175.510 -0.107 0.000 1.023 83 N CA 3.408 56.417 53.050 -0.068 0.000 0.852 83 N CB 0.326 38.780 38.487 -0.055 0.000 0.998 83 N HN 0.158 8.517 8.380 -0.036 0.000 0.424 84 M N -1.595 117.933 119.600 -0.121 0.000 2.296 84 M HA -0.221 nan 4.480 nan 0.000 0.265 84 M C 2.100 178.301 176.300 -0.166 0.000 1.064 84 M CA 1.990 57.206 55.300 -0.140 0.000 1.109 84 M CB -0.703 31.813 32.600 -0.140 0.000 1.396 84 M HN -0.423 7.797 8.290 -0.115 0.000 0.430 85 L N -2.088 119.032 121.223 -0.171 0.000 2.068 85 L HA -0.284 nan 4.340 nan 0.000 0.204 85 L C 2.106 178.892 176.870 -0.140 0.000 1.076 85 L CA 2.306 57.050 54.840 -0.159 0.000 0.753 85 L CB -0.233 41.727 42.059 -0.165 0.000 0.910 85 L HN -0.234 7.872 8.230 -0.169 0.022 0.439 86 K N -0.036 120.288 120.400 -0.126 0.000 2.063 86 K HA -0.394 nan 4.320 nan 0.000 0.208 86 K C 2.882 179.283 176.600 -0.332 0.000 1.048 86 K CA 3.515 59.709 56.287 -0.155 0.000 0.928 86 K CB -0.250 32.184 32.500 -0.110 0.000 0.713 86 K HN 0.102 8.292 8.250 -0.100 0.000 0.442 87 S N -0.931 114.562 115.700 -0.345 0.000 2.500 87 S HA -0.153 nan 4.470 nan 0.000 0.239 87 S C 0.950 175.198 174.600 -0.586 0.000 0.989 87 S CA 2.675 60.566 58.200 -0.515 0.000 0.951 87 S CB -0.669 62.365 63.200 -0.276 0.000 0.759 87 S HN -0.260 7.908 8.310 -0.236 0.000 0.523 88 S N 0.305 115.790 115.700 -0.358 0.000 2.489 88 S HA -0.112 nan 4.470 nan 0.000 0.228 88 S C 0.057 174.634 174.600 -0.038 0.000 0.995 88 S CA 1.235 59.332 58.200 -0.171 0.000 0.934 88 S CB 0.948 64.089 63.200 -0.099 0.000 0.771 88 S HN -0.482 7.483 8.310 -0.286 0.174 0.522 89 F N -2.627 117.329 119.950 0.010 0.000 3.018 89 F HA -0.386 nan 4.527 nan 0.000 0.287 89 F C -1.100 174.725 175.800 0.041 0.000 0.813 89 F CA 0.509 58.521 58.000 0.021 0.000 1.209 89 F CB -2.625 36.384 39.000 0.014 0.000 1.321 89 F HN -0.458 7.556 8.300 -0.413 0.038 0.477 90 A N -4.924 117.976 122.820 0.134 0.000 2.551 90 A HA 0.272 nan 4.320 nan 0.000 0.252 90 A C -1.450 176.246 177.584 0.187 0.000 1.199 90 A CA -0.014 52.131 52.037 0.181 0.000 0.972 90 A CB 2.445 21.545 19.000 0.166 0.000 1.153 90 A HN -0.606 7.557 8.150 0.045 0.014 0.559 91 T N -4.864 109.757 114.554 0.112 0.000 2.945 91 T HA 0.676 nan 4.350 nan 0.000 0.286 91 T C 0.070 174.825 174.700 0.092 0.000 1.025 91 T CA -2.222 59.948 62.100 0.117 0.000 1.039 91 T CB 2.546 71.460 68.868 0.077 0.000 1.068 91 T HN -0.387 7.894 8.240 0.069 0.000 0.497 92 C N -2.464 116.890 119.300 0.090 0.000 3.836 92 C HA 0.553 nan 4.460 nan 0.000 0.470 92 C C -1.098 173.935 174.990 0.071 0.000 1.496 92 C CA -0.175 58.883 59.018 0.067 0.000 2.135 92 C CB 1.816 29.584 27.740 0.046 0.000 3.162 92 C HN 0.629 8.925 8.230 0.110 0.000 0.666 93 V N 1.413 121.383 119.914 0.093 0.000 2.668 93 V HA 0.622 nan 4.120 nan 0.000 0.304 93 V C -2.622 173.553 176.094 0.135 0.000 1.071 93 V CA 0.025 62.383 62.300 0.095 0.000 0.894 93 V CB 3.009 34.881 31.823 0.081 0.000 1.008 93 V HN -0.806 7.452 8.190 0.112 0.000 0.425 94 L N 6.366 127.673 121.223 0.140 0.000 2.356 94 L HA 0.796 nan 4.340 nan 0.000 0.277 94 L C -1.841 175.103 176.870 0.122 0.000 0.996 94 L CA -0.957 54.009 54.840 0.210 0.000 0.822 94 L CB 3.044 45.266 42.059 0.271 0.000 1.256 94 L HN 0.520 8.817 8.230 0.112 0.000 0.413 95 V N 4.688 124.643 119.914 0.069 0.000 2.407 95 V HA 0.440 nan 4.120 nan 0.000 0.291 95 V C -1.767 174.081 176.094 -0.411 0.000 1.018 95 V CA -1.033 61.228 62.300 -0.065 0.000 0.842 95 V CB 2.216 34.066 31.823 0.045 0.000 0.996 95 V HN 0.767 9.054 8.190 0.163 0.000 0.426 96 S N 4.890 120.255 115.700 -0.557 0.000 2.578 96 S HA 0.488 nan 4.470 nan 0.000 0.301 96 S C 0.878 175.075 174.600 -0.672 0.000 1.091 96 S CA -2.714 54.886 58.200 -1.000 0.000 1.032 96 S CB 1.510 64.138 63.200 -0.953 0.000 1.064 96 S HN 0.280 8.423 8.310 -0.279 0.000 0.508 97 E N 6.813 126.437 120.200 -0.959 0.000 2.118 97 E HA -0.277 nan 4.350 nan 0.000 0.195 97 E C 1.044 177.407 176.600 -0.396 0.000 0.992 97 E CA 3.009 58.943 56.400 -0.776 0.000 0.804 97 E CB -0.058 29.294 29.700 -0.580 0.000 0.741 97 E HN 0.409 8.141 8.360 -1.046 0.000 0.458 98 E N -3.389 116.630 120.200 -0.301 0.000 2.208 98 E HA -0.074 nan 4.350 nan 0.000 0.193 98 E C 0.046 176.567 176.600 -0.132 0.000 0.988 98 E CA 1.198 57.495 56.400 -0.171 0.000 0.828 98 E CB 0.559 30.199 29.700 -0.101 0.000 0.763 98 E HN -0.578 7.547 8.360 -0.359 0.020 0.478 99 D N 0.012 120.338 120.400 -0.123 0.000 2.217 99 D HA 0.179 nan 4.640 nan 0.000 0.243 99 D C -0.371 175.947 176.300 0.031 0.000 1.054 99 D CA -0.255 53.727 54.000 -0.029 0.000 0.838 99 D CB 1.334 42.135 40.800 0.001 0.000 1.162 99 D HN -0.734 7.486 8.370 -0.177 0.044 0.472 100 K N 2.145 122.570 120.400 0.041 0.000 2.362 100 K HA -0.266 nan 4.320 nan 0.000 0.200 100 K C -0.748 175.846 176.600 -0.009 0.000 1.046 100 K CA 1.285 57.595 56.287 0.039 0.000 0.952 100 K CB 0.489 32.963 32.500 -0.043 0.000 0.753 100 K HN 0.428 8.696 8.250 0.031 0.000 0.466 101 H N -2.793 116.345 119.070 0.114 0.000 2.797 101 H HA 0.132 nan 4.556 nan 0.000 0.372 101 H C -1.557 173.790 175.328 0.031 0.000 1.168 101 H CA -1.133 54.950 56.048 0.058 0.000 1.163 101 H CB 2.812 32.595 29.762 0.035 0.000 1.778 101 H HN -0.770 7.582 8.280 0.203 0.049 0.551 102 A N 0.950 123.848 122.820 0.130 0.000 2.488 102 A HA -0.078 nan 4.320 nan 0.000 0.249 102 A C -0.194 177.442 177.584 0.086 0.000 1.083 102 A CA 0.188 52.268 52.037 0.072 0.000 0.768 102 A CB 0.468 19.497 19.000 0.049 0.000 1.017 102 A HN 0.371 8.606 8.150 0.142 0.000 0.496 103 I N 4.316 124.930 120.570 0.074 0.000 2.529 103 I HA -0.049 nan 4.170 nan 0.000 0.284 103 I C -1.073 175.082 176.117 0.062 0.000 1.082 103 I CA 0.489 61.829 61.300 0.067 0.000 1.406 103 I CB 1.514 39.559 38.000 0.074 0.000 1.405 103 I HN 0.295 8.546 8.210 0.067 0.000 0.548 104 I N 6.619 127.217 120.570 0.047 0.000 2.377 104 I HA 0.291 nan 4.170 nan 0.000 0.293 104 I C -0.627 175.515 176.117 0.041 0.000 0.987 104 I CA -2.319 59.007 61.300 0.043 0.000 1.185 104 I CB 0.694 38.713 38.000 0.030 0.000 1.341 104 I HN -0.199 8.035 8.210 0.039 0.000 0.455 105 V N 7.239 127.179 119.914 0.045 0.000 2.881 105 V HA 0.019 nan 4.120 nan 0.000 0.303 105 V C 0.227 176.343 176.094 0.038 0.000 1.070 105 V CA -0.406 61.918 62.300 0.039 0.000 1.074 105 V CB 0.625 32.473 31.823 0.042 0.000 1.012 105 V HN 0.260 8.379 8.190 0.049 0.101 0.482 106 E N 3.958 124.179 120.200 0.036 0.000 2.384 106 E HA 0.084 nan 4.350 nan 0.000 0.266 106 E C -0.401 176.232 176.600 0.055 0.000 1.012 106 E CA -1.268 55.156 56.400 0.040 0.000 0.901 106 E CB -0.662 29.061 29.700 0.039 0.000 0.967 106 E HN 0.236 8.613 8.360 0.029 0.000 0.435 107 P HA -0.282 nan 4.420 nan 0.000 0.218 107 P C 1.631 178.972 177.300 0.067 0.000 1.146 107 P CA 2.646 65.776 63.100 0.049 0.000 0.820 107 P CB 0.230 31.950 31.700 0.033 0.000 0.778 108 E N -1.189 119.061 120.200 0.084 0.000 2.152 108 E HA -0.155 nan 4.350 nan 0.000 0.192 108 E C 1.080 177.810 176.600 0.218 0.000 0.983 108 E CA 1.940 58.405 56.400 0.108 0.000 0.818 108 E CB -0.039 29.725 29.700 0.106 0.000 0.758 108 E HN 0.477 8.849 8.360 0.076 0.033 0.467 109 K N -3.344 117.203 120.400 0.246 0.000 2.410 109 K HA 0.129 nan 4.320 nan 0.000 0.200 109 K C -0.988 175.754 176.600 0.237 0.000 1.023 109 K CA -0.851 55.646 56.287 0.351 0.000 1.149 109 K CB 0.397 32.953 32.500 0.093 0.000 0.859 109 K HN -0.352 7.848 8.250 0.156 0.144 0.514 110 R N -1.206 119.394 120.500 0.167 0.000 2.539 110 R HA -0.063 nan 4.340 nan 0.000 0.275 110 R C -0.004 176.370 176.300 0.124 0.000 1.077 110 R CA 0.618 56.787 56.100 0.114 0.000 1.097 110 R CB 0.960 31.304 30.300 0.072 0.000 1.018 110 R HN -0.947 7.349 8.270 0.152 0.066 0.483 111 G N 0.843 109.704 108.800 0.101 0.000 3.022 111 G HA2 0.524 nan 3.960 nan 0.000 0.284 111 G HA3 0.524 nan 3.960 nan 0.000 0.284 111 G C -1.767 173.150 174.900 0.028 0.000 1.375 111 G CA -0.436 44.720 45.100 0.093 0.000 0.902 111 G HN 0.081 8.327 8.290 0.087 0.096 0.538 112 K N -3.956 116.409 120.400 -0.059 0.000 2.374 112 K HA 0.179 nan 4.320 nan 0.000 0.196 112 K C 0.144 176.541 176.600 -0.338 0.000 1.023 112 K CA 0.542 56.688 56.287 -0.234 0.000 1.103 112 K CB 0.996 33.271 32.500 -0.375 0.000 0.848 112 K HN -0.017 8.541 8.250 -0.017 -0.319 0.528 113 Y N -0.817 119.515 120.300 0.054 0.000 2.352 113 Y HA 0.257 nan 4.550 nan 0.000 0.326 113 Y C -1.569 174.383 175.900 0.087 0.000 1.166 113 Y CA -0.097 58.042 58.100 0.066 0.000 1.182 113 Y CB 2.000 40.485 38.460 0.042 0.000 1.216 113 Y HN -0.304 8.057 8.280 0.134 0.000 0.474 114 V N 1.652 121.731 119.914 0.276 0.000 2.409 114 V HA 0.574 nan 4.120 nan 0.000 0.291 114 V C -1.778 174.490 176.094 0.289 0.000 1.020 114 V CA -0.752 61.697 62.300 0.249 0.000 0.848 114 V CB 1.533 33.502 31.823 0.243 0.000 0.990 114 V HN 0.140 8.433 8.190 0.344 0.103 0.430 115 V N 6.626 126.696 119.914 0.261 0.000 2.540 115 V HA 0.677 nan 4.120 nan 0.000 0.302 115 V C -1.588 174.717 176.094 0.353 0.000 1.035 115 V CA -1.633 60.825 62.300 0.263 0.000 0.873 115 V CB 3.170 35.118 31.823 0.208 0.000 0.992 115 V HN 0.325 8.663 8.190 0.247 0.000 0.428 116 C N 6.497 125.999 119.300 0.337 0.000 2.351 116 C HA 1.053 nan 4.460 nan 0.000 0.326 116 C C -1.555 173.687 174.990 0.420 0.000 1.272 116 C CA -1.794 57.425 59.018 0.335 0.000 1.650 116 C CB 0.625 28.572 27.740 0.345 0.000 2.257 116 C HN 0.306 8.689 8.230 0.255 0.000 0.505 117 F N 0.654 120.686 119.950 0.137 0.000 2.654 117 F HA 0.606 nan 4.527 nan 0.000 0.308 117 F C -3.132 172.640 175.800 -0.047 0.000 1.108 117 F CA -2.212 55.861 58.000 0.121 0.000 0.957 117 F CB 2.611 41.683 39.000 0.120 0.000 1.309 117 F HN 1.019 9.171 8.300 -0.246 0.000 0.446 118 D N 1.071 121.594 120.400 0.205 0.000 2.414 118 D HA 0.591 nan 4.640 nan 0.000 0.232 118 D C -1.165 175.268 176.300 0.221 0.000 1.070 118 D CA -3.876 50.152 54.000 0.046 0.000 0.839 118 D CB 2.412 43.311 40.800 0.165 0.000 1.079 118 D HN 0.141 8.723 8.370 0.354 0.000 0.521 119 P HA -0.046 nan 4.420 nan 0.000 0.216 119 P C -1.493 175.932 177.300 0.209 0.000 1.153 119 P CA 1.901 65.173 63.100 0.288 0.000 0.844 119 P CB 0.765 32.626 31.700 0.269 0.000 0.787 120 L N -2.960 118.353 121.223 0.151 0.000 2.489 120 L HA 0.297 nan 4.340 nan 0.000 0.257 120 L C -2.615 174.330 176.870 0.125 0.000 1.215 120 L CA -0.683 54.254 54.840 0.161 0.000 0.915 120 L CB 1.427 43.553 42.059 0.113 0.000 1.146 120 L HN -0.763 7.532 8.230 0.108 0.000 0.494 121 D N 6.106 126.584 120.400 0.130 0.000 2.425 121 D HA 0.002 nan 4.640 nan 0.000 0.247 121 D C 0.166 176.512 176.300 0.077 0.000 1.147 121 D CA 1.286 55.342 54.000 0.093 0.000 0.879 121 D CB 1.290 42.137 40.800 0.078 0.000 1.179 121 D HN 0.464 8.928 8.370 0.157 0.000 0.456 122 G N 3.558 112.397 108.800 0.065 0.000 2.141 122 G HA2 -0.442 nan 3.960 nan 0.000 0.242 122 G HA3 -0.442 nan 3.960 nan 0.000 0.242 122 G C 0.824 175.759 174.900 0.059 0.000 0.982 122 G CA 0.753 45.886 45.100 0.056 0.000 0.662 122 G HN 0.500 8.831 8.290 0.068 0.000 0.527 123 S N 1.081 116.819 115.700 0.062 0.000 2.392 123 S HA -0.413 nan 4.470 nan 0.000 0.232 123 S C 1.958 176.585 174.600 0.045 0.000 1.041 123 S CA 3.274 61.507 58.200 0.054 0.000 1.026 123 S CB -0.648 62.581 63.200 0.047 0.000 0.845 123 S HN -0.443 7.863 8.310 0.066 0.044 0.465 124 S N 3.756 119.484 115.700 0.046 0.000 2.440 124 S HA -0.208 nan 4.470 nan 0.000 0.238 124 S C 0.988 175.613 174.600 0.042 0.000 1.010 124 S CA 2.579 60.806 58.200 0.044 0.000 0.972 124 S CB -0.588 62.643 63.200 0.052 0.000 0.774 124 S HN 0.299 8.627 8.310 0.050 0.012 0.501 125 N N -0.428 118.297 118.700 0.042 0.000 2.230 125 N HA 0.194 nan 4.740 nan 0.000 0.202 125 N C 0.257 175.787 175.510 0.033 0.000 1.119 125 N CA 0.026 53.097 53.050 0.036 0.000 0.851 125 N CB 0.729 39.235 38.487 0.033 0.000 0.990 125 N HN -0.320 7.929 8.380 0.045 0.157 0.497 126 I N 1.296 121.887 120.570 0.036 0.000 2.361 126 I HA -0.365 nan 4.170 nan 0.000 0.251 126 I C 0.512 176.646 176.117 0.028 0.000 1.133 126 I CA 2.590 63.910 61.300 0.034 0.000 1.413 126 I CB 0.161 38.181 38.000 0.035 0.000 1.073 126 I HN -0.231 7.828 8.210 0.038 0.175 0.424 127 D N 0.742 121.158 120.400 0.028 0.000 2.178 127 D HA -0.215 nan 4.640 nan 0.000 0.201 127 D C 0.716 177.029 176.300 0.021 0.000 0.980 127 D CA 2.882 56.897 54.000 0.026 0.000 0.842 127 D CB -0.544 40.272 40.800 0.026 0.000 0.948 127 D HN 0.369 8.742 8.370 0.030 0.015 0.472 128 C N -2.895 116.417 119.300 0.021 0.000 2.673 128 C HA 0.217 nan 4.460 nan 0.000 0.274 128 C C 0.225 175.224 174.990 0.014 0.000 1.276 128 C CA -1.380 57.648 59.018 0.017 0.000 1.701 128 C CB -0.256 27.495 27.740 0.018 0.000 1.836 128 C HN -0.492 7.608 8.230 0.024 0.144 0.596 129 L N -2.669 118.565 121.223 0.017 0.000 4.001 129 L HA -0.415 nan 4.340 nan 0.000 0.413 129 L C 0.028 176.910 176.870 0.020 0.000 1.185 129 L CA 0.667 55.518 54.840 0.017 0.000 0.963 129 L CB -2.358 39.707 42.059 0.011 0.000 1.976 129 L HN -0.367 7.666 8.230 0.020 0.209 0.939 130 V N -1.356 118.570 119.914 0.020 0.000 2.775 130 V HA -0.033 nan 4.120 nan 0.000 0.299 130 V C 0.820 176.931 176.094 0.029 0.000 1.062 130 V CA 0.507 62.816 62.300 0.015 0.000 1.063 130 V CB 0.920 32.749 31.823 0.010 0.000 0.994 130 V HN -0.657 7.506 8.190 0.022 0.040 0.483 131 S N 4.825 120.538 115.700 0.022 0.000 2.554 131 S HA -0.055 nan 4.470 nan 0.000 0.290 131 S C -1.726 172.905 174.600 0.053 0.000 1.309 131 S CA 1.448 59.671 58.200 0.038 0.000 1.047 131 S CB 0.564 63.767 63.200 0.004 0.000 0.828 131 S HN 0.076 8.390 8.310 0.007 0.000 0.509 132 V N 2.268 122.251 119.914 0.115 0.000 3.181 132 V HA 0.732 nan 4.120 nan 0.000 0.308 132 V C -1.935 174.265 176.094 0.177 0.000 1.214 132 V CA -1.764 60.626 62.300 0.151 0.000 1.053 132 V CB 4.744 36.673 31.823 0.177 0.000 1.069 132 V HN -0.302 7.980 8.190 0.153 0.000 0.441 133 G N 0.809 109.704 108.800 0.158 0.000 2.550 133 G HA2 0.541 nan 3.960 nan 0.000 0.293 133 G HA3 0.541 nan 3.960 nan 0.000 0.293 133 G C -3.151 171.838 174.900 0.148 0.000 1.402 133 G CA 0.415 45.498 45.100 -0.029 0.000 0.784 133 G HN -0.130 8.258 8.290 0.164 0.000 0.482 134 T N 1.392 116.018 114.554 0.120 0.000 2.856 134 T HA 0.814 nan 4.350 nan 0.000 0.283 134 T C -1.166 173.679 174.700 0.241 0.000 1.008 134 T CA -0.576 61.668 62.100 0.241 0.000 0.997 134 T CB 1.815 70.867 68.868 0.306 0.000 0.992 134 T HN 0.303 8.523 8.240 -0.034 0.000 0.454 135 I N 3.874 124.599 120.570 0.258 0.000 2.545 135 I HA 0.969 nan 4.170 nan 0.000 0.292 135 I C -1.891 174.397 176.117 0.285 0.000 1.040 135 I CA -1.340 60.067 61.300 0.177 0.000 1.068 135 I CB 3.053 41.120 38.000 0.112 0.000 1.251 135 I HN 0.506 8.886 8.210 0.284 0.000 0.424 136 F N 2.288 122.317 119.950 0.131 0.000 2.626 136 F HA 0.931 nan 4.527 nan 0.000 0.311 136 F C -2.166 173.649 175.800 0.026 0.000 1.088 136 F CA -2.494 55.574 58.000 0.113 0.000 0.949 136 F CB 2.932 41.956 39.000 0.039 0.000 1.322 136 F HN 0.690 8.640 8.300 -0.582 0.000 0.461 137 G N -1.632 107.258 108.800 0.150 0.000 2.612 137 G HA2 0.806 nan 3.960 nan 0.000 0.298 137 G HA3 0.806 nan 3.960 nan 0.000 0.298 137 G C -2.802 172.033 174.900 -0.107 0.000 1.336 137 G CA -1.153 43.879 45.100 -0.114 0.000 0.953 137 G HN 0.504 8.957 8.290 0.272 0.000 0.482 138 I N 1.272 121.686 120.570 -0.260 0.000 2.468 138 I HA 0.618 nan 4.170 nan 0.000 0.285 138 I C -1.794 174.207 176.117 -0.194 0.000 1.039 138 I CA -0.591 60.634 61.300 -0.125 0.000 1.074 138 I CB 2.740 40.710 38.000 -0.051 0.000 1.228 138 I HN 0.113 8.103 8.210 -0.367 0.000 0.436 139 Y N 5.944 126.325 120.300 0.136 0.000 2.565 139 Y HA 0.408 nan 4.550 nan 0.000 0.325 139 Y C -1.034 174.982 175.900 0.195 0.000 1.221 139 Y CA -2.088 56.083 58.100 0.119 0.000 1.316 139 Y CB 2.479 40.983 38.460 0.074 0.000 1.404 139 Y HN 1.027 9.410 8.280 0.172 0.000 0.527 140 R N -0.397 120.277 120.500 0.290 0.000 2.561 140 R HA 0.357 nan 4.340 nan 0.000 0.297 140 R C -1.470 174.846 176.300 0.026 0.000 0.969 140 R CA -1.705 54.431 56.100 0.060 0.000 0.879 140 R CB 2.605 32.927 30.300 0.035 0.000 1.178 140 R HN 0.257 8.709 8.270 0.304 0.000 0.445 141 K N 6.361 126.737 120.400 -0.039 0.000 2.472 141 K HA -0.178 nan 4.320 nan 0.000 0.280 141 K C -0.129 176.449 176.600 -0.036 0.000 1.028 141 K CA 1.233 57.503 56.287 -0.028 0.000 1.045 141 K CB 0.294 32.770 32.500 -0.040 0.000 0.902 141 K HN 0.353 8.538 8.250 -0.109 0.000 0.478 142 K N 5.254 125.638 120.400 -0.027 0.000 2.284 142 K HA 0.059 nan 4.320 nan 0.000 0.198 142 K C 0.476 177.062 176.600 -0.023 0.000 1.048 142 K CA 0.229 56.502 56.287 -0.024 0.000 0.987 142 K CB 0.340 32.826 32.500 -0.024 0.000 0.800 142 K HN 0.613 8.845 8.250 -0.030 0.000 0.486 143 S N -0.820 114.866 115.700 -0.023 0.000 2.654 143 S HA 0.250 nan 4.470 nan 0.000 0.283 143 S C 0.702 175.292 174.600 -0.018 0.000 1.180 143 S CA -0.823 57.366 58.200 -0.019 0.000 1.021 143 S CB 2.067 65.256 63.200 -0.018 0.000 1.018 143 S HN -0.589 7.706 8.310 -0.025 0.000 0.532 144 T N -4.361 110.184 114.554 -0.014 0.000 3.188 144 T HA 0.192 nan 4.350 nan 0.000 0.250 144 T C -0.395 174.300 174.700 -0.009 0.000 1.077 144 T CA -0.305 61.787 62.100 -0.013 0.000 0.967 144 T CB -0.245 68.616 68.868 -0.011 0.000 1.006 144 T HN 0.341 8.573 8.240 -0.013 0.000 0.552 145 D N 3.078 123.473 120.400 -0.009 0.000 2.384 145 D HA -0.013 nan 4.640 nan 0.000 0.244 145 D C -0.346 175.952 176.300 -0.004 0.000 1.251 145 D CA -0.274 53.722 54.000 -0.006 0.000 0.961 145 D CB 0.733 41.529 40.800 -0.007 0.000 1.116 145 D HN -0.569 7.707 8.370 -0.011 0.088 0.484 146 E N -0.471 119.728 120.200 -0.001 0.000 2.384 146 E HA 0.059 nan 4.350 nan 0.000 0.266 146 E C -1.527 175.075 176.600 0.004 0.000 1.012 146 E CA -1.581 54.820 56.400 0.002 0.000 0.901 146 E CB 0.276 29.977 29.700 0.002 0.000 0.967 146 E HN 0.105 8.464 8.360 -0.002 0.000 0.435 147 P HA -0.029 nan 4.420 nan 0.000 0.265 147 P C -1.366 175.942 177.300 0.014 0.000 1.193 147 P CA 0.215 63.322 63.100 0.012 0.000 0.765 147 P CB 0.291 32.004 31.700 0.021 0.000 0.823 148 S N 3.686 119.394 115.700 0.013 0.000 2.643 148 S HA 0.231 nan 4.470 nan 0.000 0.270 148 S C 0.332 174.941 174.600 0.015 0.000 1.166 148 S CA -1.633 56.575 58.200 0.014 0.000 0.815 148 S CB 2.238 65.442 63.200 0.007 0.000 1.139 148 S HN -0.043 8.513 8.310 0.012 -0.239 0.472 149 E N 3.168 123.380 120.200 0.019 0.000 2.187 149 E HA -0.384 nan 4.350 nan 0.000 0.199 149 E C 1.203 177.795 176.600 -0.013 0.000 1.004 149 E CA 3.439 59.845 56.400 0.010 0.000 0.813 149 E CB -0.432 29.280 29.700 0.020 0.000 0.736 149 E HN 0.567 8.943 8.360 0.027 0.000 0.468 150 K N -2.835 117.556 120.400 -0.015 0.000 2.360 150 K HA -0.224 nan 4.320 nan 0.000 0.201 150 K C 1.325 177.897 176.600 -0.048 0.000 1.046 150 K CA 1.970 58.237 56.287 -0.032 0.000 0.945 150 K CB -0.236 32.249 32.500 -0.025 0.000 0.750 150 K HN -0.538 7.693 8.250 -0.006 0.015 0.464 151 D N -2.069 118.310 120.400 -0.034 0.000 2.234 151 D HA -0.062 nan 4.640 nan 0.000 0.205 151 D C 0.423 176.672 176.300 -0.085 0.000 0.962 151 D CA 2.307 56.279 54.000 -0.046 0.000 0.855 151 D CB 0.095 40.890 40.800 -0.009 0.000 0.951 151 D HN -0.322 8.001 8.370 -0.016 0.038 0.500 152 A N -1.500 121.289 122.820 -0.052 0.000 1.968 152 A HA -0.097 nan 4.320 nan 0.000 0.217 152 A C 1.477 178.954 177.584 -0.179 0.000 1.169 152 A CA 1.923 53.928 52.037 -0.052 0.000 0.638 152 A CB 0.228 19.240 19.000 0.020 0.000 0.812 152 A HN -0.654 7.455 8.150 -0.026 0.026 0.446 153 L N -1.746 119.388 121.223 -0.149 0.000 2.974 153 L HA -0.179 nan 4.340 nan 0.000 0.250 153 L C -0.459 176.277 176.870 -0.224 0.000 1.376 153 L CA -0.132 54.614 54.840 -0.156 0.000 1.170 153 L CB -2.323 39.679 42.059 -0.096 0.000 1.577 153 L HN -0.468 7.600 8.230 -0.107 0.098 0.429 154 Q N 0.115 119.657 119.800 -0.430 0.000 2.230 154 Q HA 0.400 nan 4.340 nan 0.000 0.253 154 Q C -1.838 173.994 176.000 -0.280 0.000 0.919 154 Q CA -3.371 52.192 55.803 -0.401 0.000 0.908 154 Q CB 0.917 29.301 28.738 -0.590 0.000 1.245 154 Q HN -0.265 7.550 8.270 -0.643 0.070 0.437 155 P HA -0.121 nan 4.420 nan 0.000 0.269 155 P C 0.400 177.775 177.300 0.125 0.000 1.215 155 P CA -0.023 63.084 63.100 0.013 0.000 0.780 155 P CB 0.809 32.520 31.700 0.019 0.000 0.898 156 G N 0.650 109.552 108.800 0.169 0.000 2.475 156 G HA2 -0.443 nan 3.960 nan 0.000 0.220 156 G HA3 -0.443 nan 3.960 nan 0.000 0.220 156 G C 1.440 176.471 174.900 0.219 0.000 1.125 156 G CA 1.959 47.195 45.100 0.226 0.000 0.755 156 G HN 0.741 9.129 8.290 0.117 -0.027 0.565 157 R N 1.341 121.948 120.500 0.179 0.000 2.139 157 R HA -0.282 nan 4.340 nan 0.000 0.243 157 R C 1.149 177.564 176.300 0.191 0.000 1.145 157 R CA 2.167 58.374 56.100 0.179 0.000 0.976 157 R CB -0.414 29.958 30.300 0.120 0.000 0.866 157 R HN -0.069 8.257 8.270 0.142 0.029 0.449 158 N N -3.160 115.655 118.700 0.192 0.000 2.515 158 N HA -0.044 nan 4.740 nan 0.000 0.191 158 N C 0.214 175.866 175.510 0.237 0.000 1.182 158 N CA 0.309 53.479 53.050 0.200 0.000 0.879 158 N CB -0.004 38.584 38.487 0.168 0.000 0.984 158 N HN -0.466 7.993 8.380 0.195 0.038 0.453 159 L N -0.819 120.465 121.223 0.101 0.000 2.453 159 L HA -0.163 nan 4.340 nan 0.000 0.272 159 L C 0.148 176.915 176.870 -0.172 0.000 1.182 159 L CA 0.957 55.665 54.840 -0.220 0.000 0.858 159 L CB 0.230 41.865 42.059 -0.707 0.000 1.120 159 L HN -0.594 7.621 8.230 0.109 0.080 0.474 160 V N 2.004 121.848 119.914 -0.116 0.000 2.500 160 V HA -0.003 nan 4.120 nan 0.000 0.243 160 V C -0.240 175.815 176.094 -0.064 0.000 1.039 160 V CA 2.050 64.347 62.300 -0.005 0.000 1.053 160 V CB 0.320 32.199 31.823 0.094 0.000 0.695 160 V HN 0.537 8.648 8.190 -0.131 0.000 0.463 161 A N -4.114 118.593 122.820 -0.187 0.000 2.606 161 A HA 0.669 nan 4.320 nan 0.000 0.293 161 A C -2.988 174.453 177.584 -0.238 0.000 1.082 161 A CA -0.669 51.298 52.037 -0.116 0.000 0.685 161 A CB 3.389 22.392 19.000 0.004 0.000 1.284 161 A HN -0.759 7.243 8.150 -0.247 0.000 0.408 162 A N -1.733 120.991 122.820 -0.160 0.000 2.599 162 A HA 0.949 nan 4.320 nan 0.000 0.290 162 A C -2.316 175.029 177.584 -0.399 0.000 1.101 162 A CA -0.821 51.034 52.037 -0.304 0.000 0.674 162 A CB 3.089 21.895 19.000 -0.323 0.000 1.277 162 A HN 0.860 8.911 8.150 0.005 0.102 0.419 163 G N -3.198 105.088 108.800 -0.857 0.000 2.317 163 G HA2 0.536 nan 3.960 nan 0.000 0.293 163 G HA3 0.536 nan 3.960 nan 0.000 0.293 163 G C -3.367 171.089 174.900 -0.739 0.000 1.287 163 G CA 1.127 45.824 45.100 -0.673 0.000 0.850 163 G HN -0.134 7.527 8.290 -1.047 0.000 0.515 164 Y N -5.200 114.868 120.300 -0.387 0.000 2.638 164 Y HA 0.939 nan 4.550 nan 0.000 0.335 164 Y C -3.047 172.822 175.900 -0.052 0.000 1.155 164 Y CA -2.498 55.495 58.100 -0.178 0.000 1.046 164 Y CB 2.649 41.022 38.460 -0.145 0.000 1.303 164 Y HN 0.467 8.450 8.280 -0.494 0.000 0.460 165 A N -1.594 121.308 122.820 0.138 0.000 2.343 165 A HA 0.775 nan 4.320 nan 0.000 0.308 165 A C -2.923 174.507 177.584 -0.257 0.000 1.092 165 A CA -1.660 50.325 52.037 -0.088 0.000 0.751 165 A CB 2.529 21.480 19.000 -0.083 0.000 1.203 165 A HN 0.832 9.092 8.150 0.184 0.000 0.452 166 L N 3.906 124.982 121.223 -0.244 0.000 2.282 166 L HA 0.660 nan 4.340 nan 0.000 0.288 166 L C -2.105 174.525 176.870 -0.401 0.000 1.033 166 L CA -1.704 52.955 54.840 -0.301 0.000 0.807 166 L CB 2.796 44.760 42.059 -0.158 0.000 1.209 166 L HN 0.700 8.720 8.230 -0.179 0.102 0.423 167 Y N 6.772 127.100 120.300 0.047 0.000 2.804 167 Y HA 0.352 nan 4.550 nan 0.000 0.330 167 Y C -0.652 175.256 175.900 0.014 0.000 1.092 167 Y CA -1.479 56.643 58.100 0.036 0.000 1.315 167 Y CB -1.570 36.914 38.460 0.040 0.000 1.188 167 Y HN 0.890 8.966 8.280 -0.340 0.000 0.512 168 G N 1.592 110.432 108.800 0.065 0.000 3.414 168 G HA2 0.193 nan 3.960 nan 0.000 0.189 168 G HA3 0.193 nan 3.960 nan 0.000 0.189 168 G C -0.504 174.419 174.900 0.039 0.000 1.329 168 G CA -0.463 44.659 45.100 0.036 0.000 0.851 168 G HN -0.007 8.314 8.290 0.051 0.000 0.671 169 S N -0.216 115.497 115.700 0.021 0.000 2.481 169 S HA -0.028 nan 4.470 nan 0.000 0.231 169 S C -0.284 174.330 174.600 0.024 0.000 0.996 169 S CA 1.638 59.850 58.200 0.020 0.000 0.942 169 S CB 0.377 63.584 63.200 0.012 0.000 0.768 169 S HN -0.045 8.273 8.310 0.013 0.000 0.520 170 A N 0.228 123.066 122.820 0.029 0.000 2.602 170 A HA 0.240 nan 4.320 nan 0.000 0.290 170 A C -2.005 175.609 177.584 0.051 0.000 1.114 170 A CA -0.271 51.787 52.037 0.035 0.000 0.683 170 A CB 2.159 21.174 19.000 0.025 0.000 1.281 170 A HN -0.768 7.345 8.150 0.023 0.051 0.416 171 T N 1.054 115.655 114.554 0.079 0.000 2.794 171 T HA 0.680 nan 4.350 nan 0.000 0.280 171 T C -1.952 172.826 174.700 0.130 0.000 0.987 171 T CA 0.275 62.447 62.100 0.120 0.000 0.993 171 T CB 0.886 69.889 68.868 0.225 0.000 0.939 171 T HN 0.479 8.759 8.240 0.067 0.000 0.449 172 M N 6.506 126.135 119.600 0.049 0.000 2.464 172 M HA 0.867 nan 4.480 nan 0.000 0.308 172 M C -2.791 173.481 176.300 -0.047 0.000 1.127 172 M CA -1.070 54.245 55.300 0.023 0.000 0.913 172 M CB 4.204 36.722 32.600 -0.136 0.000 1.689 172 M HN 0.672 8.938 8.290 -0.041 0.000 0.445 173 L N 4.737 125.909 121.223 -0.086 0.000 2.362 173 L HA 0.825 nan 4.340 nan 0.000 0.275 173 L C -2.638 174.094 176.870 -0.230 0.000 0.998 173 L CA -1.020 53.665 54.840 -0.258 0.000 0.820 173 L CB 3.672 45.393 42.059 -0.563 0.000 1.270 173 L HN 0.488 8.731 8.230 0.022 0.000 0.415 174 V N 6.769 126.405 119.914 -0.463 0.000 2.417 174 V HA 0.730 nan 4.120 nan 0.000 0.291 174 V C -2.139 173.787 176.094 -0.280 0.000 1.024 174 V CA -1.306 60.732 62.300 -0.437 0.000 0.861 174 V CB 1.858 33.148 31.823 -0.889 0.000 0.985 174 V HN 0.962 8.785 8.190 -0.612 0.000 0.436 175 L N 8.468 129.658 121.223 -0.055 0.000 2.372 175 L HA 0.819 nan 4.340 nan 0.000 0.273 175 L C -2.711 174.214 176.870 0.090 0.000 0.989 175 L CA -1.202 53.665 54.840 0.046 0.000 0.841 175 L CB 3.650 45.780 42.059 0.119 0.000 1.225 175 L HN 0.560 8.789 8.230 -0.001 0.000 0.414 176 A N 7.136 130.016 122.820 0.101 0.000 2.276 176 A HA 0.851 nan 4.320 nan 0.000 0.316 176 A C -2.008 175.768 177.584 0.319 0.000 1.229 176 A CA -1.509 50.641 52.037 0.189 0.000 0.851 176 A CB 1.816 20.942 19.000 0.210 0.000 1.165 176 A HN 1.156 9.234 8.150 0.045 0.099 0.513 177 M N 1.785 121.549 119.600 0.272 0.000 2.755 177 M HA 0.305 nan 4.480 nan 0.000 0.298 177 M C 0.695 177.131 176.300 0.228 0.000 1.251 177 M CA -1.033 54.434 55.300 0.279 0.000 0.817 177 M CB 3.673 36.384 32.600 0.184 0.000 1.760 177 M HN -0.052 8.360 8.290 0.203 0.000 0.473 178 D N 1.847 122.377 120.400 0.217 0.000 2.158 178 D HA -0.272 nan 4.640 nan 0.000 0.197 178 D C 2.063 178.402 176.300 0.066 0.000 0.995 178 D CA 3.715 57.792 54.000 0.128 0.000 0.846 178 D CB -0.083 40.795 40.800 0.130 0.000 0.941 178 D HN 0.651 9.166 8.370 0.241 0.000 0.456 179 C N -4.730 114.619 119.300 0.081 0.000 2.419 179 C HA 0.186 nan 4.460 nan 0.000 0.283 179 C C 0.797 175.825 174.990 0.064 0.000 1.373 179 C CA -0.086 58.974 59.018 0.069 0.000 1.781 179 C CB -1.327 26.462 27.740 0.082 0.000 1.886 179 C HN 0.168 8.449 8.230 0.099 0.008 0.520 180 G N -0.643 108.196 108.800 0.065 0.000 2.369 180 G HA2 -0.136 nan 3.960 nan 0.000 0.293 180 G HA3 -0.136 nan 3.960 nan 0.000 0.293 180 G C -3.127 171.802 174.900 0.047 0.000 1.301 180 G CA -0.165 44.955 45.100 0.032 0.000 0.913 180 G HN -0.663 7.542 8.290 0.085 0.136 0.540 181 V N 0.292 120.211 119.914 0.008 0.000 2.439 181 V HA 0.473 nan 4.120 nan 0.000 0.282 181 V C -1.120 174.953 176.094 -0.036 0.000 1.039 181 V CA -1.105 61.194 62.300 -0.002 0.000 0.913 181 V CB 1.073 32.880 31.823 -0.027 0.000 0.983 181 V HN 0.387 8.571 8.190 -0.010 0.000 0.460 182 N N 5.792 124.455 118.700 -0.062 0.000 2.225 182 N HA 0.625 nan 4.740 nan 0.000 0.298 182 N C -2.100 173.245 175.510 -0.275 0.000 1.076 182 N CA -0.535 52.374 53.050 -0.235 0.000 0.792 182 N CB 4.587 42.844 38.487 -0.383 0.000 1.498 182 N HN -0.144 8.237 8.380 0.001 0.000 0.474 183 C N 1.168 120.224 119.300 -0.406 0.000 2.329 183 C HA 0.887 nan 4.460 nan 0.000 0.329 183 C C -1.368 173.306 174.990 -0.527 0.000 1.275 183 C CA -0.472 58.366 59.018 -0.299 0.000 1.726 183 C CB 0.677 28.329 27.740 -0.146 0.000 2.291 183 C HN 0.630 8.591 8.230 -0.448 0.000 0.514 184 F N 3.262 123.127 119.950 -0.142 0.000 2.520 184 F HA 0.723 nan 4.527 nan 0.000 0.322 184 F C -1.866 173.984 175.800 0.083 0.000 1.103 184 F CA -1.814 56.154 58.000 -0.054 0.000 0.926 184 F CB 3.510 42.455 39.000 -0.093 0.000 1.154 184 F HN 1.015 9.369 8.300 0.090 0.000 0.453 185 M N 2.495 122.248 119.600 0.255 0.000 2.336 185 M HA 0.690 nan 4.480 nan 0.000 0.342 185 M C -2.143 174.293 176.300 0.225 0.000 1.128 185 M CA -1.815 53.607 55.300 0.203 0.000 1.016 185 M CB 3.159 35.809 32.600 0.084 0.000 1.665 185 M HN 0.841 9.258 8.290 0.211 0.000 0.445 186 L N 5.234 126.528 121.223 0.120 0.000 2.290 186 L HA 0.394 nan 4.340 nan 0.000 0.284 186 L C -1.620 175.189 176.870 -0.101 0.000 1.078 186 L CA -0.202 54.531 54.840 -0.179 0.000 0.815 186 L CB 1.360 43.211 42.059 -0.347 0.000 1.162 186 L HN 0.453 8.768 8.230 0.141 0.000 0.435 187 D N 7.937 128.271 120.400 -0.111 0.000 2.428 187 D HA 0.352 nan 4.640 nan 0.000 0.221 187 D C -0.836 175.407 176.300 -0.095 0.000 1.123 187 D CA -3.406 50.554 54.000 -0.067 0.000 0.869 187 D CB 1.658 42.434 40.800 -0.039 0.000 1.032 187 D HN 0.408 8.695 8.370 -0.139 0.000 0.506 188 P HA -0.054 nan 4.420 nan 0.000 0.226 188 P C -0.275 176.990 177.300 -0.058 0.000 1.153 188 P CA 0.857 63.910 63.100 -0.078 0.000 0.777 188 P CB 0.012 31.679 31.700 -0.055 0.000 0.794 189 A N -0.550 122.243 122.820 -0.044 0.000 2.015 189 A HA -0.136 nan 4.320 nan 0.000 0.219 189 A C 0.944 178.506 177.584 -0.037 0.000 1.163 189 A CA 1.787 53.803 52.037 -0.034 0.000 0.646 189 A CB 0.289 19.275 19.000 -0.023 0.000 0.806 189 A HN 0.039 8.362 8.150 -0.040 -0.197 0.448 190 I N -9.813 110.729 120.570 -0.046 0.000 4.240 190 I HA 0.327 nan 4.170 nan 0.000 0.331 190 I C 0.686 176.766 176.117 -0.062 0.000 1.381 190 I CA -1.128 60.147 61.300 -0.043 0.000 1.136 190 I CB 1.399 39.382 38.000 -0.029 0.000 1.137 190 I HN -0.702 7.449 8.210 -0.056 0.026 0.411 191 G N 1.452 110.194 108.800 -0.097 0.000 2.289 191 G HA2 -0.424 nan 3.960 nan 0.000 0.280 191 G HA3 -0.424 nan 3.960 nan 0.000 0.280 191 G C -1.615 173.192 174.900 -0.156 0.000 1.089 191 G CA 0.524 45.542 45.100 -0.135 0.000 0.939 191 G HN -0.142 8.087 8.290 -0.102 0.000 0.499 192 E N -1.408 118.685 120.200 -0.179 0.000 2.314 192 E HA 0.396 nan 4.350 nan 0.000 0.272 192 E C -2.228 174.287 176.600 -0.141 0.000 0.884 192 E CA -2.388 53.948 56.400 -0.107 0.000 0.753 192 E CB 4.054 33.740 29.700 -0.023 0.000 1.213 192 E HN -0.781 7.462 8.360 -0.195 0.000 0.432 193 F N 3.396 123.366 119.950 0.033 0.000 2.350 193 F HA 0.392 nan 4.527 nan 0.000 0.365 193 F C -0.479 175.422 175.800 0.169 0.000 1.122 193 F CA -0.844 57.205 58.000 0.083 0.000 1.139 193 F CB 0.488 39.504 39.000 0.026 0.000 1.220 193 F HN 0.429 8.853 8.300 0.205 0.000 0.499 194 I N 4.065 124.813 120.570 0.297 0.000 2.472 194 I HA 0.416 nan 4.170 nan 0.000 0.290 194 I C -1.178 175.052 176.117 0.188 0.000 1.016 194 I CA -1.933 59.490 61.300 0.205 0.000 1.348 194 I CB 0.612 38.667 38.000 0.092 0.000 1.417 194 I HN 0.902 9.253 8.210 0.235 0.000 0.521 195 L N 7.820 129.074 121.223 0.051 0.000 2.315 195 L HA 0.185 nan 4.340 nan 0.000 0.283 195 L C -0.912 175.794 176.870 -0.274 0.000 1.089 195 L CA 0.482 55.091 54.840 -0.384 0.000 0.833 195 L CB 0.094 41.902 42.059 -0.419 0.000 1.170 195 L HN 0.193 8.482 8.230 0.099 0.000 0.442 196 V N 2.156 121.889 119.914 -0.301 0.000 3.605 196 V HA 0.417 nan 4.120 nan 0.000 0.284 196 V C -0.034 175.954 176.094 -0.177 0.000 1.386 196 V CA -0.300 61.898 62.300 -0.171 0.000 1.053 196 V CB 0.687 32.454 31.823 -0.093 0.000 0.857 196 V HN 0.352 8.289 8.190 -0.421 0.000 0.436 197 D N -0.020 120.221 120.400 -0.264 0.000 2.937 197 D HA 0.261 nan 4.640 nan 0.000 0.215 197 D C -2.669 173.467 176.300 -0.273 0.000 1.274 197 D CA 0.073 53.951 54.000 -0.204 0.000 0.869 197 D CB 4.194 44.907 40.800 -0.145 0.000 1.675 197 D HN -0.621 7.506 8.370 -0.404 0.000 0.538 198 K N 2.467 122.753 120.400 -0.190 0.000 2.443 198 K HA 0.355 nan 4.320 nan 0.000 0.252 198 K C -1.366 175.178 176.600 -0.093 0.000 0.933 198 K CA -0.917 55.266 56.287 -0.173 0.000 0.792 198 K CB 2.306 34.725 32.500 -0.134 0.000 1.185 198 K HN -0.015 8.153 8.250 -0.136 0.000 0.425 199 D N 0.985 121.346 120.400 -0.064 0.000 2.812 199 D HA -0.502 nan 4.640 nan 0.000 0.237 199 D C -0.508 175.766 176.300 -0.045 0.000 1.162 199 D CA 1.204 55.184 54.000 -0.032 0.000 0.740 199 D CB -2.181 38.612 40.800 -0.012 0.000 1.000 199 D HN 0.211 8.537 8.370 -0.073 0.000 0.416 200 V N -0.534 119.346 119.914 -0.058 0.000 2.715 200 V HA -0.136 nan 4.120 nan 0.000 0.299 200 V C -0.479 175.589 176.094 -0.043 0.000 1.054 200 V CA 0.946 63.213 62.300 -0.055 0.000 1.077 200 V CB 0.824 32.609 31.823 -0.063 0.000 0.972 200 V HN -0.131 8.021 8.190 -0.063 0.000 0.484 201 K N 2.830 123.205 120.400 -0.041 0.000 2.464 201 K HA 0.525 nan 4.320 nan 0.000 0.253 201 K C -1.422 175.154 176.600 -0.039 0.000 0.933 201 K CA -1.216 55.048 56.287 -0.037 0.000 0.801 201 K CB 3.515 35.995 32.500 -0.032 0.000 1.271 201 K HN -0.197 8.026 8.250 -0.044 0.000 0.430 202 I N 2.181 122.730 120.570 -0.035 0.000 2.612 202 I HA 0.082 nan 4.170 nan 0.000 0.295 202 I C -0.437 175.656 176.117 -0.040 0.000 1.011 202 I CA -1.058 60.219 61.300 -0.037 0.000 1.326 202 I CB 1.688 39.673 38.000 -0.025 0.000 1.427 202 I HN 0.699 8.890 8.210 -0.031 0.000 0.537 203 K N 6.996 127.363 120.400 -0.056 0.000 2.469 203 K HA -0.096 nan 4.320 nan 0.000 0.274 203 K C -0.112 176.466 176.600 -0.037 0.000 0.983 203 K CA 0.746 56.995 56.287 -0.064 0.000 0.974 203 K CB 0.581 33.015 32.500 -0.109 0.000 0.913 203 K HN 0.456 8.667 8.250 -0.066 0.000 0.493 204 K N 1.807 122.190 120.400 -0.029 0.000 2.057 204 K HA -0.263 nan 4.320 nan 0.000 0.206 204 K C -0.019 176.589 176.600 0.012 0.000 1.050 204 K CA 2.585 58.868 56.287 -0.006 0.000 0.935 204 K CB 0.565 33.063 32.500 -0.004 0.000 0.715 204 K HN 0.332 8.561 8.250 -0.036 0.000 0.439 205 K N -4.642 115.759 120.400 0.001 0.000 2.468 205 K HA 0.184 nan 4.320 nan 0.000 0.252 205 K C -1.878 174.702 176.600 -0.032 0.000 0.932 205 K CA -1.668 54.638 56.287 0.031 0.000 0.794 205 K CB 2.999 35.529 32.500 0.051 0.000 1.241 205 K HN -0.648 7.588 8.250 -0.025 0.000 0.428 206 G N 0.487 109.272 108.800 -0.025 0.000 2.938 206 G HA2 0.451 nan 3.960 nan 0.000 0.258 206 G HA3 0.451 nan 3.960 nan 0.000 0.258 206 G C -2.259 172.383 174.900 -0.431 0.000 1.356 206 G CA -1.524 43.477 45.100 -0.165 0.000 1.052 206 G HN 0.205 8.939 8.290 0.083 -0.394 0.550 207 K N -2.246 117.822 120.400 -0.552 0.000 2.761 207 K HA 0.306 nan 4.320 nan 0.000 0.196 207 K C -2.146 174.154 176.600 -0.499 0.000 1.134 207 K CA -0.656 55.042 56.287 -0.982 0.000 1.082 207 K CB 1.735 33.943 32.500 -0.486 0.000 0.768 207 K HN 0.175 8.225 8.250 -0.335 0.000 0.475 208 I N -1.045 119.453 120.570 -0.119 0.000 2.619 208 I HA 0.593 nan 4.170 nan 0.000 0.292 208 I C -2.003 174.335 176.117 0.369 0.000 1.100 208 I CA -1.815 59.580 61.300 0.158 0.000 1.043 208 I CB 2.631 40.733 38.000 0.171 0.000 1.239 208 I HN -0.671 7.474 8.210 -0.109 0.000 0.420 209 Y N 3.686 124.165 120.300 0.299 0.000 2.446 209 Y HA 0.719 nan 4.550 nan 0.000 0.345 209 Y C -2.297 173.712 175.900 0.182 0.000 0.984 209 Y CA -2.899 55.353 58.100 0.253 0.000 1.058 209 Y CB 2.640 41.214 38.460 0.190 0.000 1.220 209 Y HN 0.354 8.675 8.280 0.069 0.000 0.455 210 S N 2.288 118.098 115.700 0.182 0.000 2.779 210 S HA 0.487 nan 4.470 nan 0.000 0.293 210 S C -2.308 172.353 174.600 0.101 0.000 1.150 210 S CA -1.545 56.762 58.200 0.177 0.000 1.057 210 S CB 0.570 63.996 63.200 0.376 0.000 1.021 210 S HN 0.148 8.611 8.310 0.255 0.000 0.485 211 L N -0.579 120.610 121.223 -0.057 0.000 2.838 211 L HA 0.471 nan 4.340 nan 0.000 0.266 211 L C -2.487 173.924 176.870 -0.765 0.000 1.040 211 L CA -0.672 53.936 54.840 -0.386 0.000 0.906 211 L CB 2.628 44.531 42.059 -0.261 0.000 1.501 211 L HN -0.130 8.054 8.230 -0.076 0.000 0.407 212 N N 0.219 118.394 118.700 -0.876 0.000 2.555 212 N HA 0.009 nan 4.740 nan 0.000 0.244 212 N C 0.665 176.045 175.510 -0.216 0.000 1.114 212 N CA -0.688 51.921 53.050 -0.735 0.000 0.963 212 N CB -0.637 37.460 38.487 -0.650 0.000 1.276 212 N HN 0.514 8.484 8.380 -0.682 0.000 0.510 213 E N 5.750 125.876 120.200 -0.123 0.000 2.472 213 E HA -0.268 nan 4.350 nan 0.000 0.200 213 E C 1.146 177.703 176.600 -0.072 0.000 1.046 213 E CA 2.121 58.555 56.400 0.056 0.000 0.871 213 E CB -0.361 29.391 29.700 0.088 0.000 0.806 213 E HN 0.048 8.292 8.360 -0.194 0.000 0.533 214 A N 0.464 123.155 122.820 -0.214 0.000 2.024 214 A HA -0.191 nan 4.320 nan 0.000 0.220 214 A C 1.906 179.287 177.584 -0.337 0.000 1.164 214 A CA 2.486 54.356 52.037 -0.278 0.000 0.643 214 A CB -0.555 18.219 19.000 -0.377 0.000 0.806 214 A HN -0.604 7.507 8.150 -0.255 -0.114 0.451 215 Y N -3.657 116.423 120.300 -0.367 0.000 2.553 215 Y HA -0.138 nan 4.550 nan 0.000 0.303 215 Y C 0.985 176.295 175.900 -0.983 0.000 1.194 215 Y CA -0.580 57.161 58.100 -0.598 0.000 1.305 215 Y CB -1.704 36.349 38.460 -0.679 0.000 1.045 215 Y HN -0.414 7.618 8.280 -0.369 0.027 0.514 216 A N 0.552 123.014 122.820 -0.597 0.000 1.958 216 A HA -0.452 nan 4.320 nan 0.000 0.221 216 A C 1.657 179.096 177.584 -0.242 0.000 1.178 216 A CA 3.334 55.124 52.037 -0.413 0.000 0.642 216 A CB -1.004 17.973 19.000 -0.040 0.000 0.816 216 A HN -0.097 7.676 8.150 -0.338 0.175 0.453 217 K N -2.364 117.926 120.400 -0.183 0.000 2.209 217 K HA -0.228 nan 4.320 nan 0.000 0.204 217 K C 0.602 177.155 176.600 -0.077 0.000 1.048 217 K CA 2.279 58.514 56.287 -0.087 0.000 0.940 217 K CB 0.006 32.468 32.500 -0.064 0.000 0.729 217 K HN -0.008 8.086 8.250 -0.199 0.036 0.451 218 D N -2.165 118.143 120.400 -0.154 0.000 2.462 218 D HA 0.195 nan 4.640 nan 0.000 0.221 218 D C -1.188 175.112 176.300 -0.001 0.000 1.173 218 D CA -0.140 53.812 54.000 -0.081 0.000 0.831 218 D CB 0.592 41.340 40.800 -0.087 0.000 1.001 218 D HN -0.092 7.935 8.370 -0.301 0.163 0.499 219 F N -0.377 119.591 119.950 0.030 0.000 2.375 219 F HA 0.028 nan 4.527 nan 0.000 0.333 219 F C -0.076 175.736 175.800 0.019 0.000 1.104 219 F CA -1.180 56.833 58.000 0.022 0.000 1.149 219 F CB 0.715 39.735 39.000 0.033 0.000 1.190 219 F HN -0.778 7.485 8.300 0.033 0.057 0.533 220 D N 2.155 122.696 120.400 0.235 0.000 2.341 220 D HA 0.153 nan 4.640 nan 0.000 0.245 220 D C 0.004 176.327 176.300 0.039 0.000 1.106 220 D CA -1.701 52.365 54.000 0.109 0.000 0.905 220 D CB -0.038 40.820 40.800 0.096 0.000 1.202 220 D HN 0.284 8.809 8.370 0.260 0.000 0.426 221 P HA -0.371 nan 4.420 nan 0.000 0.218 221 P C 0.604 177.688 177.300 -0.359 0.000 1.150 221 P CA 2.403 65.413 63.100 -0.150 0.000 0.841 221 P CB -0.139 31.486 31.700 -0.126 0.000 0.784 222 A N -2.747 119.768 122.820 -0.508 0.000 1.902 222 A HA -0.234 nan 4.320 nan 0.000 0.217 222 A C 2.197 179.778 177.584 -0.006 0.000 1.181 222 A CA 3.113 54.919 52.037 -0.385 0.000 0.623 222 A CB -0.753 18.135 19.000 -0.188 0.000 0.818 222 A HN -0.374 7.682 8.150 -0.394 -0.142 0.443 223 V N -3.939 116.032 119.914 0.094 0.000 2.591 223 V HA -0.283 nan 4.120 nan 0.000 0.249 223 V C 1.362 177.463 176.094 0.011 0.000 1.053 223 V CA 3.752 66.124 62.300 0.121 0.000 1.068 223 V CB -0.593 31.115 31.823 -0.191 0.000 0.689 223 V HN 0.086 8.420 8.190 0.044 -0.118 0.462 224 T N 2.904 117.468 114.554 0.017 0.000 2.788 224 T HA -0.370 nan 4.350 nan 0.000 0.268 224 T C 1.720 176.444 174.700 0.041 0.000 1.044 224 T CA 4.936 67.077 62.100 0.068 0.000 1.139 224 T CB -0.818 68.119 68.868 0.115 0.000 0.867 224 T HN -0.381 7.872 8.240 0.022 0.000 0.454 225 E N 2.240 122.462 120.200 0.036 0.000 2.072 225 E HA -0.320 nan 4.350 nan 0.000 0.190 225 E C 1.566 178.187 176.600 0.035 0.000 0.982 225 E CA 2.761 59.190 56.400 0.047 0.000 0.803 225 E CB 0.088 29.845 29.700 0.094 0.000 0.755 225 E HN -0.149 8.216 8.360 0.009 0.000 0.453 226 Y N 0.516 120.802 120.300 -0.024 0.000 2.224 226 Y HA -0.352 nan 4.550 nan 0.000 0.289 226 Y C 2.117 177.940 175.900 -0.128 0.000 1.146 226 Y CA 3.295 61.378 58.100 -0.028 0.000 1.182 226 Y CB 0.048 38.579 38.460 0.118 0.000 0.983 226 Y HN -0.216 8.105 8.280 0.193 0.075 0.524 227 I N -2.166 118.252 120.570 -0.254 0.000 2.286 227 I HA -0.617 nan 4.170 nan 0.000 0.245 227 I C 1.547 177.429 176.117 -0.390 0.000 1.104 227 I CA 3.556 64.586 61.300 -0.450 0.000 1.397 227 I CB -0.155 37.703 38.000 -0.237 0.000 1.072 227 I HN 0.124 8.301 8.210 -0.055 0.000 0.417 228 Q N -0.323 119.382 119.800 -0.159 0.000 2.170 228 Q HA -0.403 nan 4.340 nan 0.000 0.203 228 Q C 2.067 178.045 176.000 -0.036 0.000 0.976 228 Q CA 3.419 59.222 55.803 -0.001 0.000 0.858 228 Q CB -0.227 28.540 28.738 0.049 0.000 0.907 228 Q HN -0.591 7.616 8.270 -0.105 0.000 0.433 229 R N -2.523 117.868 120.500 -0.182 0.000 2.189 229 R HA -0.269 nan 4.340 nan 0.000 0.223 229 R C 0.684 176.769 176.300 -0.358 0.000 1.092 229 R CA 2.496 58.464 56.100 -0.219 0.000 0.989 229 R CB -0.013 30.143 30.300 -0.240 0.000 0.876 229 R HN -0.328 7.811 8.270 -0.202 0.009 0.457 230 K N -4.223 115.848 120.400 -0.548 0.000 2.334 230 K HA 0.119 nan 4.320 nan 0.000 0.195 230 K C 1.289 177.661 176.600 -0.381 0.000 1.045 230 K CA 0.428 56.334 56.287 -0.635 0.000 1.004 230 K CB 0.201 32.118 32.500 -0.973 0.000 0.837 230 K HN -0.287 7.431 8.250 -0.600 0.172 0.510 231 K N -1.150 119.035 120.400 -0.357 0.000 2.284 231 K HA -0.011 nan 4.320 nan 0.000 0.198 231 K C 0.589 176.821 176.600 -0.612 0.000 1.048 231 K CA 2.165 58.190 56.287 -0.438 0.000 0.987 231 K CB 1.034 33.206 32.500 -0.546 0.000 0.800 231 K HN -0.677 7.267 8.250 -0.339 0.103 0.486 232 F N -0.643 119.251 119.950 -0.092 0.000 2.686 232 F HA 0.351 nan 4.527 nan 0.000 0.365 232 F C -2.451 173.304 175.800 -0.074 0.000 1.196 232 F CA -2.957 55.008 58.000 -0.059 0.000 1.198 232 F CB 0.640 39.610 39.000 -0.050 0.000 1.454 232 F HN -0.361 7.938 8.300 -0.002 0.000 0.539 233 P HA 0.125 nan 4.420 nan 0.000 0.267 233 P C -2.235 175.084 177.300 0.031 0.000 1.209 233 P CA -1.194 61.909 63.100 0.006 0.000 0.763 233 P CB -0.016 31.688 31.700 0.007 0.000 0.816 234 P HA -0.082 nan 4.420 nan 0.000 0.256 234 P C -1.739 175.568 177.300 0.012 0.000 1.688 234 P CA 0.028 63.135 63.100 0.011 0.000 1.162 234 P CB -1.022 30.678 31.700 -0.001 0.000 1.870 235 D N 1.668 122.080 120.400 0.020 0.000 5.328 235 D HA -0.179 nan 4.640 nan 0.000 0.371 235 D C -1.722 174.595 176.300 0.028 0.000 1.827 235 D CA -0.198 53.814 54.000 0.021 0.000 1.083 235 D CB 0.317 41.129 40.800 0.021 0.000 1.408 235 D HN 0.130 8.482 8.370 0.027 0.034 0.657 236 N N 0.429 119.147 118.700 0.031 0.000 2.679 236 N HA 0.074 nan 4.740 nan 0.000 0.240 236 N C -1.625 173.907 175.510 0.037 0.000 1.537 236 N CA 0.053 53.124 53.050 0.035 0.000 0.793 236 N CB 1.115 39.621 38.487 0.032 0.000 1.391 236 N HN 0.092 8.489 8.380 0.029 0.000 0.524 237 S N 1.802 117.528 115.700 0.043 0.000 2.652 237 S HA 0.095 nan 4.470 nan 0.000 0.270 237 S C -0.849 173.787 174.600 0.059 0.000 1.243 237 S CA -0.100 58.134 58.200 0.057 0.000 0.999 237 S CB 1.232 64.478 63.200 0.077 0.000 0.973 237 S HN -0.316 8.143 8.310 0.041 -0.124 0.544 238 A N 2.211 125.071 122.820 0.067 0.000 2.445 238 A HA 0.214 nan 4.320 nan 0.000 0.242 238 A C -1.969 175.673 177.584 0.097 0.000 1.075 238 A CA -1.330 50.745 52.037 0.062 0.000 0.777 238 A CB -0.305 18.727 19.000 0.054 0.000 1.013 238 A HN 0.086 8.276 8.150 0.067 0.000 0.493 239 P HA -0.087 nan 4.420 nan 0.000 0.267 239 P C -1.810 175.639 177.300 0.247 0.000 1.201 239 P CA 0.291 63.440 63.100 0.081 0.000 0.775 239 P CB 0.400 32.083 31.700 -0.028 0.000 0.854 240 Y N 2.034 122.368 120.300 0.056 0.000 2.309 240 Y HA -0.084 nan 4.550 nan 0.000 0.327 240 Y C 0.481 176.493 175.900 0.187 0.000 1.172 240 Y CA 0.123 58.316 58.100 0.154 0.000 1.280 240 Y CB 0.785 39.404 38.460 0.264 0.000 1.234 240 Y HN 0.249 8.695 8.280 0.277 0.000 0.512 241 G N 0.378 109.302 108.800 0.207 0.000 2.569 241 G HA2 0.009 nan 3.960 nan 0.000 0.249 241 G HA3 0.009 nan 3.960 nan 0.000 0.249 241 G C -2.418 172.450 174.900 -0.053 0.000 1.216 241 G CA -0.735 44.414 45.100 0.082 0.000 0.845 241 G HN 0.299 8.671 8.290 0.137 0.000 0.568 242 A N 1.341 124.049 122.820 -0.187 0.000 2.303 242 A HA 0.693 nan 4.320 nan 0.000 0.320 242 A C -1.012 176.450 177.584 -0.204 0.000 1.192 242 A CA -0.348 51.422 52.037 -0.444 0.000 0.821 242 A CB 1.319 20.040 19.000 -0.465 0.000 1.188 242 A HN 0.097 8.190 8.150 -0.096 0.000 0.492 243 R N 4.234 124.650 120.500 -0.139 0.000 2.575 243 R HA 0.351 nan 4.340 nan 0.000 0.293 243 R C -2.323 174.033 176.300 0.094 0.000 0.983 243 R CA -1.438 54.646 56.100 -0.027 0.000 0.887 243 R CB 2.850 33.132 30.300 -0.031 0.000 1.184 243 R HN -0.174 7.987 8.270 -0.182 0.000 0.445 244 Y N 1.109 121.387 120.300 -0.037 0.000 2.422 244 Y HA -0.021 nan 4.550 nan 0.000 0.344 244 Y C -0.620 175.289 175.900 0.016 0.000 1.097 244 Y CA -0.314 57.794 58.100 0.012 0.000 1.307 244 Y CB 0.408 38.867 38.460 -0.001 0.000 1.102 244 Y HN -0.176 8.170 8.280 0.111 0.000 0.520 245 V N 6.333 126.109 119.914 -0.230 0.000 2.427 245 V HA -0.139 nan 4.120 nan 0.000 0.248 245 V C 0.478 176.409 176.094 -0.272 0.000 1.051 245 V CA 1.981 64.169 62.300 -0.186 0.000 1.048 245 V CB 0.046 31.777 31.823 -0.153 0.000 0.666 245 V HN 0.550 8.877 8.190 -0.206 -0.260 0.456 246 G N -1.706 106.710 108.800 -0.640 0.000 2.144 246 G HA2 -0.265 nan 3.960 nan 0.000 0.218 246 G HA3 -0.265 nan 3.960 nan 0.000 0.218 246 G C -1.277 173.515 174.900 -0.181 0.000 0.988 246 G CA -0.081 44.735 45.100 -0.474 0.000 0.659 246 G HN -0.151 7.884 8.290 -0.900 -0.285 0.522 247 S N -2.014 113.573 115.700 -0.189 0.000 2.594 247 S HA 0.238 nan 4.470 nan 0.000 0.296 247 S C 0.348 174.858 174.600 -0.151 0.000 1.124 247 S CA -2.109 56.040 58.200 -0.085 0.000 1.011 247 S CB 2.451 65.617 63.200 -0.055 0.000 1.016 247 S HN -0.988 7.164 8.310 -0.263 0.000 0.485 248 M N 6.222 125.755 119.600 -0.112 0.000 2.108 248 M HA -0.362 nan 4.480 nan 0.000 0.257 248 M C 0.821 176.900 176.300 -0.370 0.000 1.071 248 M CA 3.681 58.828 55.300 -0.256 0.000 1.093 248 M CB -0.082 32.434 32.600 -0.140 0.000 1.345 248 M HN 0.799 9.079 8.290 -0.016 0.000 0.403 249 V N -2.535 117.206 119.914 -0.288 0.000 2.407 249 V HA -0.425 nan 4.120 nan 0.000 0.248 249 V C 1.843 177.749 176.094 -0.314 0.000 1.055 249 V CA 3.704 65.769 62.300 -0.391 0.000 1.049 249 V CB -1.603 30.063 31.823 -0.262 0.000 0.662 249 V HN -0.150 7.904 8.190 -0.191 0.021 0.455 250 A N -0.828 121.869 122.820 -0.205 0.000 1.897 250 A HA -0.257 nan 4.320 nan 0.000 0.215 250 A C 1.882 179.384 177.584 -0.137 0.000 1.181 250 A CA 3.275 55.238 52.037 -0.124 0.000 0.620 250 A CB -0.567 18.370 19.000 -0.104 0.000 0.821 250 A HN -0.272 7.740 8.150 -0.197 0.021 0.443 251 D N -0.621 119.633 120.400 -0.244 0.000 2.103 251 D HA -0.171 nan 4.640 nan 0.000 0.199 251 D C 2.426 178.538 176.300 -0.313 0.000 0.978 251 D CA 3.546 57.394 54.000 -0.253 0.000 0.829 251 D CB -0.013 40.601 40.800 -0.311 0.000 0.981 251 D HN -0.455 7.743 8.370 -0.286 0.000 0.464 252 V N -0.770 118.843 119.914 -0.501 0.000 2.626 252 V HA -0.300 nan 4.120 nan 0.000 0.252 252 V C 1.770 177.742 176.094 -0.203 0.000 1.067 252 V CA 3.998 66.062 62.300 -0.392 0.000 1.081 252 V CB -0.735 30.799 31.823 -0.483 0.000 0.686 252 V HN 0.454 8.276 8.190 -0.613 0.000 0.468 253 H N 0.581 119.508 119.070 -0.238 0.000 2.395 253 H HA -0.209 nan 4.556 nan 0.000 0.299 253 H C 1.628 176.959 175.328 0.005 0.000 1.070 253 H CA 3.850 59.878 56.048 -0.032 0.000 1.356 253 H CB 0.313 30.098 29.762 0.039 0.000 1.401 253 H HN -0.303 7.870 8.280 -0.177 0.000 0.524 254 R N -1.015 119.448 120.500 -0.062 0.000 2.073 254 R HA -0.351 nan 4.340 nan 0.000 0.234 254 R C 2.058 178.348 176.300 -0.015 0.000 1.134 254 R CA 3.946 60.022 56.100 -0.041 0.000 0.952 254 R CB -0.053 30.245 30.300 -0.004 0.000 0.850 254 R HN -0.230 8.025 8.270 -0.024 0.000 0.433 255 T N 2.559 117.108 114.554 -0.007 0.000 2.665 255 T HA -0.320 nan 4.350 nan 0.000 0.268 255 T C 2.355 177.046 174.700 -0.015 0.000 1.035 255 T CA 4.748 66.866 62.100 0.030 0.000 1.151 255 T CB -0.615 68.281 68.868 0.047 0.000 0.862 255 T HN -0.095 8.129 8.240 -0.026 0.000 0.438 256 L N 0.458 121.637 121.223 -0.073 0.000 2.012 256 L HA -0.295 nan 4.340 nan 0.000 0.210 256 L C 1.263 178.069 176.870 -0.106 0.000 1.073 256 L CA 3.385 58.176 54.840 -0.083 0.000 0.748 256 L CB 0.003 42.011 42.059 -0.085 0.000 0.891 256 L HN -0.178 7.994 8.230 -0.096 0.000 0.431 257 V N -2.416 117.399 119.914 -0.165 0.000 2.591 257 V HA -0.240 nan 4.120 nan 0.000 0.249 257 V C 1.532 177.634 176.094 0.012 0.000 1.053 257 V CA 3.324 65.562 62.300 -0.103 0.000 1.068 257 V CB 0.046 31.762 31.823 -0.178 0.000 0.689 257 V HN -0.621 7.426 8.190 -0.238 0.000 0.462 258 Y N -1.170 119.074 120.300 -0.093 0.000 2.445 258 Y HA 0.129 nan 4.550 nan 0.000 0.247 258 Y C -0.833 175.035 175.900 -0.053 0.000 1.129 258 Y CA 0.143 58.204 58.100 -0.064 0.000 1.251 258 Y CB 2.760 41.186 38.460 -0.057 0.000 1.176 258 Y HN 0.102 8.432 8.280 0.084 0.000 0.522 259 G N -2.391 106.362 108.800 -0.079 0.000 2.733 259 G HA2 -0.404 nan 3.960 nan 0.000 0.686 259 G HA3 -0.404 nan 3.960 nan 0.000 0.686 259 G C -1.086 173.808 174.900 -0.009 0.000 1.373 259 G CA -0.244 44.804 45.100 -0.088 0.000 0.838 259 G HN -0.491 7.701 8.290 -0.016 0.088 0.588 260 G N -0.750 108.077 108.800 0.044 0.000 2.260 260 G HA2 -0.039 nan 3.960 nan 0.000 0.250 260 G HA3 -0.039 nan 3.960 nan 0.000 0.250 260 G C -3.060 171.954 174.900 0.191 0.000 1.340 260 G CA -0.180 45.002 45.100 0.137 0.000 1.056 260 G HN 0.078 8.391 8.290 0.039 0.000 0.471 261 I N -0.129 120.594 120.570 0.255 0.000 2.752 261 I HA 0.941 nan 4.170 nan 0.000 0.295 261 I C -3.034 173.233 176.117 0.251 0.000 1.219 261 I CA -2.317 59.117 61.300 0.223 0.000 1.030 261 I CB 3.822 41.960 38.000 0.230 0.000 1.259 261 I HN -0.260 8.125 8.210 0.292 0.000 0.423 262 F N 8.026 128.013 119.950 0.062 0.000 2.520 262 F HA 0.904 nan 4.527 nan 0.000 0.322 262 F C -2.818 172.986 175.800 0.008 0.000 1.103 262 F CA -2.486 55.555 58.000 0.068 0.000 0.926 262 F CB 3.612 42.648 39.000 0.060 0.000 1.154 262 F HN 0.511 8.952 8.300 0.236 0.000 0.453 263 L N 6.379 127.056 121.223 -0.909 0.000 2.438 263 L HA 0.547 nan 4.340 nan 0.000 0.270 263 L C -2.518 173.916 176.870 -0.726 0.000 0.972 263 L CA -0.178 54.234 54.840 -0.714 0.000 0.831 263 L CB 2.456 44.203 42.059 -0.521 0.000 1.273 263 L HN 0.836 8.517 8.230 -0.916 0.000 0.405 264 Y N 4.198 124.171 120.300 -0.544 0.000 2.628 264 Y HA 0.379 nan 4.550 nan 0.000 0.354 264 Y C -2.910 172.878 175.900 -0.186 0.000 1.061 264 Y CA -3.151 54.795 58.100 -0.256 0.000 1.251 264 Y CB 2.101 40.516 38.460 -0.075 0.000 1.098 264 Y HN 0.822 8.916 8.280 -0.310 0.000 0.626 265 P HA 0.076 nan 4.420 nan 0.000 0.279 265 P C -1.780 175.553 177.300 0.055 0.000 1.282 265 P CA -1.048 62.030 63.100 -0.038 0.000 0.788 265 P CB 1.151 32.768 31.700 -0.137 0.000 1.139 266 A N -0.792 122.045 122.820 0.028 0.000 2.386 266 A HA 0.071 nan 4.320 nan 0.000 0.246 266 A C -1.396 176.221 177.584 0.055 0.000 1.089 266 A CA -0.106 51.950 52.037 0.031 0.000 0.790 266 A CB 0.739 19.759 19.000 0.034 0.000 1.042 266 A HN 0.267 8.425 8.150 0.012 0.000 0.497 267 N N -2.156 116.554 118.700 0.016 0.000 2.405 267 N HA 0.089 nan 4.740 nan 0.000 0.274 267 N C -1.718 173.785 175.510 -0.011 0.000 1.170 267 N CA -0.581 52.477 53.050 0.014 0.000 0.848 267 N CB 3.093 41.507 38.487 -0.121 0.000 1.629 267 N HN -0.204 8.060 8.380 -0.010 0.111 0.481 268 K N 2.177 122.581 120.400 0.005 0.000 2.307 268 K HA -0.112 nan 4.320 nan 0.000 0.285 268 K C -0.681 175.916 176.600 -0.006 0.000 1.073 268 K CA 0.147 56.437 56.287 0.005 0.000 0.996 268 K CB -1.235 31.273 32.500 0.014 0.000 0.994 268 K HN 0.142 8.404 8.250 0.020 0.000 0.452 269 K N 4.022 124.417 120.400 -0.007 0.000 0.969 269 K HA -0.064 nan 4.320 nan 0.000 0.064 269 K C -0.431 176.165 176.600 -0.007 0.000 2.452 269 K CA 0.603 56.891 56.287 0.000 0.000 0.984 269 K CB 0.475 32.981 32.500 0.011 0.000 2.737 269 K HN 0.316 8.563 8.250 -0.006 0.000 0.317 270 S N 1.214 116.898 115.700 -0.027 0.000 2.078 270 S HA 0.520 nan 4.470 nan 0.000 0.168 270 S C -1.261 173.328 174.600 -0.018 0.000 1.542 270 S CA -1.591 56.592 58.200 -0.028 0.000 1.223 270 S CB 0.061 63.230 63.200 -0.051 0.000 1.152 270 S HN 0.104 8.296 8.310 -0.046 0.091 0.452 271 P HA -0.096 nan 4.420 nan 0.000 0.219 271 P C -0.435 176.868 177.300 0.005 0.000 1.146 271 P CA 2.020 65.124 63.100 0.007 0.000 0.808 271 P CB 0.035 31.741 31.700 0.010 0.000 0.779 272 N N -3.736 114.959 118.700 -0.007 0.000 2.236 272 N HA 0.045 nan 4.740 nan 0.000 0.196 272 N C -0.407 175.085 175.510 -0.030 0.000 1.114 272 N CA -0.323 52.719 53.050 -0.013 0.000 0.859 272 N CB 1.071 39.549 38.487 -0.015 0.000 0.982 272 N HN -0.166 8.179 8.380 -0.011 0.028 0.493 273 G N -2.125 106.652 108.800 -0.038 0.000 2.483 273 G HA2 -0.295 nan 3.960 nan 0.000 0.521 273 G HA3 -0.295 nan 3.960 nan 0.000 0.521 273 G C -2.262 172.568 174.900 -0.116 0.000 1.278 273 G CA -0.218 44.841 45.100 -0.068 0.000 0.965 273 G HN -0.418 7.665 8.290 -0.029 0.189 0.504 274 K N -1.064 119.194 120.400 -0.236 0.000 2.493 274 K HA 0.170 nan 4.320 nan 0.000 0.201 274 K C -0.272 176.151 176.600 -0.295 0.000 1.355 274 K CA -0.074 56.038 56.287 -0.291 0.000 0.953 274 K CB 2.265 34.490 32.500 -0.458 0.000 1.316 274 K HN 0.026 8.102 8.250 -0.290 0.000 0.522 275 L N -0.354 120.655 121.223 -0.356 0.000 2.417 275 L HA 0.015 nan 4.340 nan 0.000 0.268 275 L C -0.632 176.146 176.870 -0.153 0.000 1.158 275 L CA -0.352 54.364 54.840 -0.206 0.000 0.819 275 L CB 0.428 42.402 42.059 -0.141 0.000 1.112 275 L HN -0.291 7.680 8.230 -0.432 0.000 0.458 276 R N 0.120 120.520 120.500 -0.167 0.000 2.441 276 R HA 0.207 nan 4.340 nan 0.000 0.284 276 R C 0.845 176.967 176.300 -0.296 0.000 1.070 276 R CA -0.602 55.336 56.100 -0.270 0.000 1.047 276 R CB 0.120 30.109 30.300 -0.519 0.000 1.016 276 R HN -0.136 8.381 8.270 -0.131 -0.326 0.477 277 L N 5.497 126.579 121.223 -0.235 0.000 1.976 277 L HA -0.217 nan 4.340 nan 0.000 0.209 277 L C 0.559 177.322 176.870 -0.178 0.000 1.071 277 L CA 3.760 58.507 54.840 -0.154 0.000 0.746 277 L CB 0.117 42.118 42.059 -0.097 0.000 0.890 277 L HN 0.768 8.770 8.230 -0.201 0.108 0.432 278 L N -3.705 117.362 121.223 -0.260 0.000 2.093 278 L HA -0.319 nan 4.340 nan 0.000 0.208 278 L C 0.510 177.354 176.870 -0.043 0.000 1.085 278 L CA 2.794 57.571 54.840 -0.104 0.000 0.755 278 L CB 0.247 42.296 42.059 -0.017 0.000 0.904 278 L HN -0.038 7.994 8.230 -0.330 0.000 0.435 279 Y N -11.397 108.942 120.300 0.065 0.000 2.641 279 Y HA 0.148 nan 4.550 nan 0.000 0.248 279 Y C -1.077 174.846 175.900 0.038 0.000 1.170 279 Y CA -2.010 56.125 58.100 0.060 0.000 1.201 279 Y CB -0.236 38.263 38.460 0.066 0.000 1.232 279 Y HN -0.618 7.020 8.280 -1.070 0.000 0.537 280 E N -0.956 119.208 120.200 -0.061 0.000 3.100 280 E HA 0.115 nan 4.350 nan 0.000 0.191 280 E C 1.352 177.936 176.600 -0.028 0.000 1.097 280 E CA 1.217 57.614 56.400 -0.005 0.000 1.339 280 E CB 2.038 31.724 29.700 -0.024 0.000 1.330 280 E HN -0.638 7.592 8.360 -0.216 0.000 0.511 281 C N 0.938 120.209 119.300 -0.049 0.000 2.489 281 C HA -0.198 nan 4.460 nan 0.000 0.279 281 C C 1.762 176.758 174.990 0.010 0.000 1.266 281 C CA 4.781 63.793 59.018 -0.010 0.000 1.707 281 C CB -0.994 26.737 27.740 -0.015 0.000 2.059 281 C HN 0.286 8.457 8.230 -0.098 0.000 0.481 282 N N 0.084 118.789 118.700 0.008 0.000 2.069 282 N HA -0.190 nan 4.740 nan 0.000 0.191 282 N C -1.137 174.397 175.510 0.040 0.000 1.031 282 N CA 4.734 57.810 53.050 0.043 0.000 0.852 282 N CB -1.520 37.006 38.487 0.064 0.000 1.018 282 N HN 0.018 8.387 8.380 -0.018 0.000 0.423 283 P HA -0.233 nan 4.420 nan 0.000 0.216 283 P C 1.256 178.582 177.300 0.044 0.000 1.150 283 P CA 2.955 66.039 63.100 -0.025 0.000 0.837 283 P CB -0.208 31.445 31.700 -0.078 0.000 0.786 284 M N -3.661 115.954 119.600 0.025 0.000 2.200 284 M HA -0.159 nan 4.480 nan 0.000 0.265 284 M C 2.048 178.383 176.300 0.060 0.000 1.066 284 M CA 1.149 56.463 55.300 0.023 0.000 1.127 284 M CB -1.275 31.297 32.600 -0.047 0.000 1.379 284 M HN -0.778 7.515 8.290 0.005 0.000 0.420 285 A N 0.313 123.176 122.820 0.073 0.000 1.933 285 A HA -0.288 nan 4.320 nan 0.000 0.218 285 A C 1.760 179.407 177.584 0.105 0.000 1.175 285 A CA 3.231 55.315 52.037 0.079 0.000 0.628 285 A CB -1.084 17.965 19.000 0.081 0.000 0.814 285 A HN 0.392 8.580 8.150 0.063 0.000 0.444 286 Y N -1.183 119.119 120.300 0.003 0.000 2.242 286 Y HA -0.438 nan 4.550 nan 0.000 0.291 286 Y C 1.972 177.875 175.900 0.005 0.000 1.137 286 Y CA 4.440 62.542 58.100 0.003 0.000 1.181 286 Y CB 0.377 38.829 38.460 -0.013 0.000 0.989 286 Y HN -0.180 8.237 8.280 0.238 0.006 0.527 287 V N 0.285 120.278 119.914 0.131 0.000 2.358 287 V HA -0.507 nan 4.120 nan 0.000 0.246 287 V C 2.201 178.295 176.094 0.000 0.000 1.047 287 V CA 4.690 67.027 62.300 0.062 0.000 1.035 287 V CB -0.851 31.057 31.823 0.142 0.000 0.658 287 V HN -0.326 7.980 8.190 0.193 0.000 0.452 288 M N -1.321 118.288 119.600 0.015 0.000 2.086 288 M HA -0.405 nan 4.480 nan 0.000 0.261 288 M C 2.580 178.860 176.300 -0.035 0.000 1.067 288 M CA 2.188 57.489 55.300 0.000 0.000 1.116 288 M CB -1.470 31.142 32.600 0.019 0.000 1.348 288 M HN 0.357 8.671 8.290 0.041 0.000 0.407 289 E N -0.733 119.430 120.200 -0.062 0.000 2.106 289 E HA -0.302 nan 4.350 nan 0.000 0.192 289 E C 3.080 179.597 176.600 -0.139 0.000 0.984 289 E CA 2.940 59.285 56.400 -0.090 0.000 0.806 289 E CB -0.195 29.447 29.700 -0.097 0.000 0.750 289 E HN 0.226 8.555 8.360 -0.051 0.000 0.458 290 K N -1.923 118.346 120.400 -0.218 0.000 2.296 290 K HA -0.113 nan 4.320 nan 0.000 0.200 290 K C 1.274 177.810 176.600 -0.106 0.000 1.048 290 K CA 1.102 57.266 56.287 -0.205 0.000 0.966 290 K CB -0.214 32.105 32.500 -0.302 0.000 0.754 290 K HN -0.206 7.885 8.250 -0.265 0.000 0.466 291 A N -4.298 118.475 122.820 -0.078 0.000 2.278 291 A HA 0.143 nan 4.320 nan 0.000 0.212 291 A C -0.612 176.948 177.584 -0.040 0.000 1.213 291 A CA -0.370 51.638 52.037 -0.049 0.000 0.840 291 A CB 0.200 19.180 19.000 -0.033 0.000 0.866 291 A HN -0.323 7.662 8.150 -0.083 0.115 0.489 292 G N -3.276 105.498 108.800 -0.043 0.000 2.171 292 G HA2 -0.326 nan 3.960 nan 0.000 0.238 292 G HA3 -0.326 nan 3.960 nan 0.000 0.238 292 G C -0.634 174.255 174.900 -0.019 0.000 1.039 292 G CA 0.100 45.182 45.100 -0.030 0.000 0.759 292 G HN -0.401 7.658 8.290 -0.059 0.196 0.501 293 G N -1.549 107.240 108.800 -0.018 0.000 2.887 293 G HA2 0.724 nan 3.960 nan 0.000 0.277 293 G HA3 0.724 nan 3.960 nan 0.000 0.277 293 G C -2.202 172.699 174.900 0.002 0.000 1.346 293 G CA -1.907 43.192 45.100 -0.002 0.000 1.058 293 G HN -0.228 7.956 8.290 -0.028 0.088 0.535 294 M N -0.952 118.657 119.600 0.014 0.000 2.619 294 M HA 0.368 nan 4.480 nan 0.000 0.297 294 M C -2.219 174.094 176.300 0.021 0.000 1.229 294 M CA -1.192 54.117 55.300 0.015 0.000 0.860 294 M CB 5.235 37.846 32.600 0.019 0.000 1.741 294 M HN 0.201 8.504 8.290 0.022 0.000 0.462 295 A N -0.822 122.009 122.820 0.019 0.000 2.437 295 A HA 0.800 nan 4.320 nan 0.000 0.293 295 A C -2.173 175.416 177.584 0.009 0.000 1.038 295 A CA -0.330 51.720 52.037 0.021 0.000 0.708 295 A CB 2.717 21.738 19.000 0.036 0.000 1.251 295 A HN 0.269 8.429 8.150 0.017 0.000 0.409 296 T N 3.954 118.501 114.554 -0.013 0.000 2.883 296 T HA 0.640 nan 4.350 nan 0.000 0.301 296 T C -0.052 174.614 174.700 -0.057 0.000 1.158 296 T CA -1.544 60.542 62.100 -0.025 0.000 1.007 296 T CB 3.271 72.129 68.868 -0.016 0.000 1.186 296 T HN 0.470 8.694 8.240 -0.026 0.000 0.499 297 T N 1.188 115.708 114.554 -0.056 0.000 3.065 297 T HA 0.403 nan 4.350 nan 0.000 0.252 297 T C 1.033 175.642 174.700 -0.152 0.000 1.099 297 T CA -0.438 61.615 62.100 -0.078 0.000 1.063 297 T CB 0.850 69.695 68.868 -0.039 0.000 0.948 297 T HN 0.591 8.810 8.240 -0.036 0.000 0.506 298 G N 2.227 110.923 108.800 -0.173 0.000 2.604 298 G HA2 -0.311 nan 3.960 nan 0.000 0.205 298 G HA3 -0.311 nan 3.960 nan 0.000 0.205 298 G C 0.071 174.871 174.900 -0.167 0.000 1.186 298 G CA 0.522 45.379 45.100 -0.404 0.000 0.753 298 G HN 0.167 8.336 8.290 -0.100 0.061 0.526 299 K N 1.486 121.869 120.400 -0.028 0.000 2.314 299 K HA -0.047 nan 4.320 nan 0.000 0.198 299 K C -0.188 176.441 176.600 0.048 0.000 1.045 299 K CA 0.973 57.312 56.287 0.086 0.000 0.988 299 K CB 0.882 33.443 32.500 0.101 0.000 0.783 299 K HN -0.078 8.070 8.250 -0.057 0.068 0.484 300 E N -4.395 115.817 120.200 0.019 0.000 2.429 300 E HA 0.213 nan 4.350 nan 0.000 0.280 300 E C -2.647 173.960 176.600 0.011 0.000 1.068 300 E CA -1.567 54.846 56.400 0.020 0.000 0.837 300 E CB 3.002 32.715 29.700 0.023 0.000 1.357 300 E HN -0.547 7.812 8.360 -0.002 0.000 0.455 301 A N -1.152 121.678 122.820 0.018 0.000 2.440 301 A HA 0.109 nan 4.320 nan 0.000 0.251 301 A C 1.306 178.903 177.584 0.023 0.000 1.089 301 A CA 0.140 52.190 52.037 0.020 0.000 0.779 301 A CB 0.502 19.519 19.000 0.028 0.000 1.022 301 A HN 0.514 8.677 8.150 0.022 0.000 0.492 302 V N 4.918 124.846 119.914 0.023 0.000 2.287 302 V HA -0.406 nan 4.120 nan 0.000 0.248 302 V C 1.654 177.775 176.094 0.045 0.000 1.053 302 V CA 4.199 66.514 62.300 0.026 0.000 1.027 302 V CB -0.391 31.448 31.823 0.027 0.000 0.646 302 V HN -0.036 8.166 8.190 0.021 0.000 0.447 303 L N -3.604 117.657 121.223 0.063 0.000 2.447 303 L HA -0.367 nan 4.340 nan 0.000 0.225 303 L C 0.824 177.740 176.870 0.076 0.000 1.148 303 L CA 2.444 57.338 54.840 0.090 0.000 0.808 303 L CB -0.893 41.235 42.059 0.115 0.000 0.928 303 L HN 0.012 8.278 8.230 0.059 0.000 0.448 304 D N -3.558 116.874 120.400 0.053 0.000 2.398 304 D HA 0.057 nan 4.640 nan 0.000 0.210 304 D C 0.040 176.358 176.300 0.030 0.000 1.094 304 D CA 0.603 54.629 54.000 0.042 0.000 0.839 304 D CB 0.882 41.704 40.800 0.036 0.000 0.963 304 D HN -0.468 7.739 8.370 0.044 0.190 0.506 305 V N -1.099 118.830 119.914 0.025 0.000 2.881 305 V HA 0.144 nan 4.120 nan 0.000 0.303 305 V C -1.437 174.661 176.094 0.006 0.000 1.070 305 V CA -0.907 61.400 62.300 0.013 0.000 1.074 305 V CB 1.457 33.283 31.823 0.006 0.000 1.012 305 V HN -0.537 7.672 8.190 0.031 0.000 0.482 306 I N 2.632 123.200 120.570 -0.003 0.000 2.315 306 I HA 0.342 nan 4.170 nan 0.000 0.291 306 I C -1.584 174.519 176.117 -0.024 0.000 1.006 306 I CA -3.209 58.081 61.300 -0.016 0.000 1.265 306 I CB 1.536 39.527 38.000 -0.015 0.000 1.387 306 I HN 0.016 8.224 8.210 -0.002 0.000 0.475 307 P HA 0.158 nan 4.420 nan 0.000 0.271 307 P C -1.513 175.761 177.300 -0.043 0.000 1.216 307 P CA -0.035 63.039 63.100 -0.043 0.000 0.776 307 P CB 0.636 32.302 31.700 -0.056 0.000 0.881 308 T N 1.885 116.416 114.554 -0.038 0.000 2.987 308 T HA 0.156 nan 4.350 nan 0.000 0.248 308 T C -0.295 174.382 174.700 -0.039 0.000 0.997 308 T CA 0.731 62.810 62.100 -0.034 0.000 1.013 308 T CB 1.103 69.957 68.868 -0.023 0.000 1.077 308 T HN 0.598 9.191 8.240 -0.037 -0.376 0.483 309 D N 0.451 120.823 120.400 -0.047 0.000 2.527 309 D HA 0.294 nan 4.640 nan 0.000 0.233 309 D C -0.313 175.931 176.300 -0.094 0.000 1.063 309 D CA -1.013 52.950 54.000 -0.062 0.000 0.880 309 D CB 2.912 43.687 40.800 -0.043 0.000 1.457 309 D HN -0.728 7.825 8.370 -0.045 -0.211 0.475 310 I N -3.560 116.912 120.570 -0.162 0.000 2.439 310 I HA -0.165 nan 4.170 nan 0.000 0.251 310 I C -0.205 175.775 176.117 -0.228 0.000 1.139 310 I CA 2.881 64.047 61.300 -0.224 0.000 1.438 310 I CB 0.524 38.324 38.000 -0.334 0.000 1.085 310 I HN 0.265 8.374 8.210 -0.168 0.000 0.427 311 H N -0.938 118.149 119.070 0.028 0.000 2.579 311 H HA 0.162 nan 4.556 nan 0.000 0.289 311 H C -1.332 173.971 175.328 -0.042 0.000 1.270 311 H CA -1.817 54.250 56.048 0.031 0.000 1.060 311 H CB -2.138 27.661 29.762 0.061 0.000 1.554 311 H HN -0.384 7.785 8.280 -0.186 0.000 0.515 312 Q N 1.565 121.355 119.800 -0.017 0.000 2.288 312 Q HA 0.011 nan 4.340 nan 0.000 0.254 312 Q C -0.917 175.045 176.000 -0.064 0.000 0.932 312 Q CA -0.217 55.565 55.803 -0.035 0.000 0.902 312 Q CB 1.223 29.931 28.738 -0.050 0.000 1.203 312 Q HN -0.687 7.472 8.270 -0.064 0.072 0.415 313 R N 3.002 123.472 120.500 -0.051 0.000 2.528 313 R HA 0.620 nan 4.340 nan 0.000 0.271 313 R C -1.060 175.200 176.300 -0.067 0.000 1.056 313 R CA -0.277 55.780 56.100 -0.072 0.000 1.117 313 R CB 1.527 31.790 30.300 -0.062 0.000 1.085 313 R HN 0.302 8.552 8.270 -0.032 0.000 0.530 314 A N 1.638 124.412 122.820 -0.077 0.000 2.574 314 A HA 0.448 nan 4.320 nan 0.000 0.297 314 A C -3.226 174.323 177.584 -0.057 0.000 1.062 314 A CA -2.353 49.651 52.037 -0.056 0.000 0.686 314 A CB 1.929 20.899 19.000 -0.049 0.000 1.285 314 A HN 0.485 8.576 8.150 -0.098 0.000 0.403 315 P HA 0.237 nan 4.420 nan 0.000 0.274 315 P C -1.749 175.525 177.300 -0.043 0.000 1.231 315 P CA -0.360 62.715 63.100 -0.043 0.000 0.790 315 P CB 0.662 32.333 31.700 -0.048 0.000 0.951 316 I N 1.218 121.761 120.570 -0.044 0.000 2.710 316 I HA 0.260 nan 4.170 nan 0.000 0.290 316 I C -2.344 173.705 176.117 -0.113 0.000 1.318 316 I CA -0.519 60.761 61.300 -0.034 0.000 1.045 316 I CB 4.074 42.111 38.000 0.062 0.000 1.307 316 I HN 0.069 8.256 8.210 -0.038 0.000 0.424 317 I N 7.874 128.348 120.570 -0.160 0.000 2.466 317 I HA 0.817 nan 4.170 nan 0.000 0.289 317 I C -2.078 173.990 176.117 -0.081 0.000 1.026 317 I CA -1.018 60.125 61.300 -0.262 0.000 1.078 317 I CB 2.257 39.930 38.000 -0.545 0.000 1.249 317 I HN 0.599 8.738 8.210 -0.118 0.000 0.429 318 L N 2.506 123.751 121.223 0.037 0.000 2.409 318 L HA 0.951 nan 4.340 nan 0.000 0.255 318 L C -1.358 175.572 176.870 0.100 0.000 1.027 318 L CA -1.836 53.050 54.840 0.077 0.000 0.834 318 L CB 2.725 44.853 42.059 0.115 0.000 1.426 318 L HN 0.746 9.019 8.230 0.071 0.000 0.411 319 G N -2.386 106.457 108.800 0.072 0.000 2.334 319 G HA2 -0.091 nan 3.960 nan 0.000 0.249 319 G HA3 -0.091 nan 3.960 nan 0.000 0.249 319 G C -1.825 173.108 174.900 0.055 0.000 1.327 319 G CA 0.402 45.549 45.100 0.077 0.000 0.979 319 G HN 0.415 8.736 8.290 0.052 0.000 0.471 320 S N 2.328 118.064 115.700 0.062 0.000 2.552 320 S HA 0.183 nan 4.470 nan 0.000 0.289 320 S C -0.465 174.166 174.600 0.051 0.000 1.304 320 S CA -0.327 57.901 58.200 0.046 0.000 1.063 320 S CB -0.707 62.523 63.200 0.050 0.000 0.848 320 S HN 0.115 8.473 8.310 0.081 0.000 0.499 321 P HA -0.181 nan 4.420 nan 0.000 0.214 321 P C 1.411 178.740 177.300 0.048 0.000 1.163 321 P CA 2.848 65.969 63.100 0.034 0.000 0.889 321 P CB 0.249 31.961 31.700 0.020 0.000 0.790 322 D N -1.895 118.539 120.400 0.056 0.000 2.117 322 D HA -0.303 nan 4.640 nan 0.000 0.197 322 D C 2.256 178.620 176.300 0.107 0.000 0.987 322 D CA 3.622 57.666 54.000 0.073 0.000 0.829 322 D CB -0.833 40.011 40.800 0.074 0.000 0.961 322 D HN 0.171 8.570 8.370 0.048 0.000 0.460 323 D N -0.286 120.197 120.400 0.139 0.000 2.117 323 D HA -0.221 nan 4.640 nan 0.000 0.197 323 D C 2.459 178.830 176.300 0.118 0.000 0.987 323 D CA 3.484 57.604 54.000 0.200 0.000 0.829 323 D CB -0.044 40.913 40.800 0.262 0.000 0.961 323 D HN -0.649 7.795 8.370 0.123 0.000 0.460 324 V N 1.083 121.041 119.914 0.074 0.000 2.515 324 V HA -0.270 nan 4.120 nan 0.000 0.250 324 V C 2.342 178.467 176.094 0.052 0.000 1.058 324 V CA 4.124 66.448 62.300 0.040 0.000 1.064 324 V CB -0.729 31.113 31.823 0.032 0.000 0.675 324 V HN -0.020 8.218 8.190 0.079 0.000 0.461 325 L N -0.272 120.981 121.223 0.049 0.000 2.056 325 L HA -0.359 nan 4.340 nan 0.000 0.207 325 L C 1.787 178.672 176.870 0.025 0.000 1.078 325 L CA 2.992 57.853 54.840 0.036 0.000 0.749 325 L CB -0.927 41.154 42.059 0.037 0.000 0.901 325 L HN 0.094 8.349 8.230 0.056 0.010 0.433 326 E N 0.076 120.309 120.200 0.055 0.000 2.110 326 E HA -0.400 nan 4.350 nan 0.000 0.193 326 E C 2.454 179.054 176.600 -0.001 0.000 0.988 326 E CA 3.239 59.688 56.400 0.081 0.000 0.804 326 E CB -0.087 29.726 29.700 0.188 0.000 0.745 326 E HN -0.388 8.019 8.360 0.078 0.000 0.458 327 F N 0.874 120.629 119.950 -0.325 0.000 2.146 327 F HA -0.300 nan 4.527 nan 0.000 0.298 327 F C 1.310 176.993 175.800 -0.195 0.000 1.096 327 F CA 3.177 60.825 58.000 -0.586 0.000 1.275 327 F CB 0.219 38.755 39.000 -0.774 0.000 1.008 327 F HN -0.314 7.868 8.300 -0.080 0.070 0.480 328 L N -1.273 119.826 121.223 -0.207 0.000 2.083 328 L HA -0.573 nan 4.340 nan 0.000 0.209 328 L C 2.027 178.815 176.870 -0.137 0.000 1.083 328 L CA 3.300 58.038 54.840 -0.171 0.000 0.752 328 L CB -0.502 41.547 42.059 -0.016 0.000 0.899 328 L HN 0.326 8.462 8.230 -0.031 0.075 0.433 329 K N -0.516 119.825 120.400 -0.098 0.000 2.026 329 K HA -0.373 nan 4.320 nan 0.000 0.208 329 K C 2.183 178.737 176.600 -0.077 0.000 1.048 329 K CA 3.977 60.228 56.287 -0.060 0.000 0.929 329 K CB -0.084 32.403 32.500 -0.022 0.000 0.713 329 K HN 0.125 8.329 8.250 -0.076 0.000 0.439 330 V N -2.908 116.943 119.914 -0.105 0.000 2.626 330 V HA -0.273 nan 4.120 nan 0.000 0.252 330 V C 1.269 177.317 176.094 -0.077 0.000 1.067 330 V CA 3.295 65.570 62.300 -0.042 0.000 1.081 330 V CB -1.361 30.475 31.823 0.020 0.000 0.686 330 V HN -0.656 7.455 8.190 -0.133 0.000 0.468 331 Y N 1.954 121.977 120.300 -0.462 0.000 2.133 331 Y HA -0.437 nan 4.550 nan 0.000 0.287 331 Y C 1.994 177.804 175.900 -0.151 0.000 1.134 331 Y CA 3.841 61.677 58.100 -0.440 0.000 1.133 331 Y CB 0.219 38.276 38.460 -0.673 0.000 0.987 331 Y HN 0.091 8.018 8.280 -0.427 0.097 0.502 332 E N -1.636 118.496 120.200 -0.114 0.000 2.204 332 E HA -0.415 nan 4.350 nan 0.000 0.194 332 E C 2.050 178.577 176.600 -0.122 0.000 0.989 332 E CA 2.522 58.851 56.400 -0.118 0.000 0.824 332 E CB -0.295 29.385 29.700 -0.033 0.000 0.756 332 E HN 0.074 8.408 8.360 -0.044 0.000 0.477 333 K N -1.078 119.269 120.400 -0.089 0.000 2.520 333 K HA -0.254 nan 4.320 nan 0.000 0.197 333 K C 0.677 177.138 176.600 -0.230 0.000 1.043 333 K CA 1.802 58.006 56.287 -0.138 0.000 0.944 333 K CB 0.067 32.492 32.500 -0.125 0.000 0.770 333 K HN -0.515 7.684 8.250 -0.065 0.011 0.480 334 H N -2.732 116.201 119.070 -0.228 0.000 2.674 334 H HA 0.216 nan 4.556 nan 0.000 0.235 334 H C -1.519 173.648 175.328 -0.270 0.000 1.330 334 H CA -0.826 55.092 56.048 -0.216 0.000 1.052 334 H CB 0.222 29.858 29.762 -0.212 0.000 1.954 334 H HN -0.319 7.719 8.280 -0.093 0.186 0.566 335 S N 0.000 115.613 115.700 -0.145 0.000 2.498 335 S HA 0.000 nan 4.470 nan 0.000 0.327 335 S CA 0.000 58.110 58.200 -0.149 0.000 1.107 335 S CB 0.000 63.087 63.200 -0.189 0.000 0.593 335 S HN 0.000 8.232 8.310 -0.131 0.000 0.517