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 1x9y_1_C DATA FIRST_RESID 41 DATA SEQUENCE KQLEINVKSD KVPQKVKDLA QQQFAGYAKA LDKQSNAKTG KYELGEAFKI DATA SEQUENCE YKFNGEEDNS YYYPVIKDGK IVYTLTLSPK NKDDLNKSKE DMNYSVKISN DATA SEQUENCE FIAKDLDQIK DKNSNITVLT DEKGFYFEED GKVRLVKATP LANNIKEKES DATA SEQUENCE AKTVSPQLKQ ELKTTVTPTK VXXXXXXXXX XXQYENTLKN FKIREQQFDN DATA SEQUENCE SWCAGFSMAA LLNATKNTDT YNAHDIMRTL YPEVSEQDLP NCATFPNQMI DATA SEQUENCE EYGKSQGRDI HYQEGVPSYN QVDQLTKDNV GIMILAQSVS QNPNDPHLGH DATA SEQUENCE ALAVVGNAKI NDQEKLIYWN PWDTELSIQD ADSSLLHLSF NRDYNWYGSM DATA SEQUENCE IGYLEVP 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 41 K HA 0.000 nan 4.320 nan 0.000 0.191 41 K C 0.000 176.588 176.600 -0.021 0.000 0.988 41 K CA 0.000 56.277 56.287 -0.017 0.000 0.838 41 K CB 0.000 32.492 32.500 -0.014 0.000 1.064 42 Q N 0.329 120.115 119.800 -0.024 0.000 2.576 42 Q HA 0.455 4.795 4.340 0.000 0.000 0.249 42 Q C -0.536 175.438 176.000 -0.044 0.000 1.041 42 Q CA -1.315 54.470 55.803 -0.031 0.000 0.928 42 Q CB 1.430 30.152 28.738 -0.026 0.000 1.302 42 Q HN 0.157 nan 8.270 nan 0.000 0.504 43 L N 1.106 122.295 121.223 -0.057 0.000 2.490 43 L HA 0.036 4.376 4.340 0.000 0.000 0.274 43 L C -0.711 176.103 176.870 -0.093 0.000 1.201 43 L CA 1.210 55.998 54.840 -0.085 0.000 0.869 43 L CB 0.270 42.263 42.059 -0.111 0.000 1.123 43 L HN 0.473 nan 8.230 nan 0.000 0.484 44 E N 4.573 124.710 120.200 -0.105 0.000 2.288 44 E HA 0.543 4.893 4.350 0.000 0.000 0.268 44 E C -1.204 175.313 176.600 -0.138 0.000 0.885 44 E CA -0.715 55.626 56.400 -0.098 0.000 0.767 44 E CB 2.085 31.746 29.700 -0.066 0.000 1.220 44 E HN 0.516 nan 8.360 nan 0.000 0.427 45 I N 2.456 122.951 120.570 -0.125 0.000 2.406 45 I HA 0.263 4.433 4.170 0.000 0.000 0.290 45 I C -0.429 175.655 176.117 -0.054 0.000 0.999 45 I CA -1.007 60.206 61.300 -0.145 0.000 1.124 45 I CB 1.407 39.285 38.000 -0.204 0.000 1.289 45 I HN 0.302 nan 8.210 nan 0.000 0.441 46 N N 6.212 124.879 118.700 -0.055 0.000 2.497 46 N HA 0.365 5.105 4.740 0.000 0.000 0.268 46 N C -0.494 175.036 175.510 0.033 0.000 1.171 46 N CA -0.031 52.999 53.050 -0.033 0.000 0.948 46 N CB 1.823 40.263 38.487 -0.077 0.000 1.069 46 N HN 0.434 nan 8.380 nan 0.000 0.460 47 V N -0.802 119.136 119.914 0.039 0.000 3.188 47 V HA 0.433 4.553 4.120 0.000 0.000 0.305 47 V C 1.102 177.223 176.094 0.045 0.000 1.232 47 V CA -0.997 61.390 62.300 0.145 0.000 1.043 47 V CB 2.077 34.038 31.823 0.229 0.000 1.068 47 V HN 0.497 nan 8.190 nan 0.000 0.439 48 K N 1.673 122.143 120.400 0.116 0.000 2.057 48 K HA 0.169 4.489 4.320 0.000 0.000 0.206 48 K C 0.852 177.494 176.600 0.070 0.000 1.050 48 K CA 2.038 58.358 56.287 0.055 0.000 0.935 48 K CB -0.169 32.417 32.500 0.143 0.000 0.715 48 K HN 1.137 nan 8.250 nan 0.000 0.439 49 S N -1.009 114.757 115.700 0.109 0.000 2.570 49 S HA 0.246 4.716 4.470 0.000 0.000 0.270 49 S C -1.069 173.585 174.600 0.089 0.000 1.149 49 S CA -0.309 57.940 58.200 0.081 0.000 0.837 49 S CB 1.301 64.548 63.200 0.078 0.000 1.124 49 S HN 0.372 nan 8.310 nan 0.000 0.465 50 D N 1.082 121.520 120.400 0.063 0.000 2.349 50 D HA 0.189 4.829 4.640 0.000 0.000 0.214 50 D C 0.012 176.341 176.300 0.049 0.000 1.063 50 D CA -0.006 54.028 54.000 0.057 0.000 0.847 50 D CB 0.139 40.962 40.800 0.037 0.000 0.933 50 D HN 0.161 nan 8.370 nan 0.000 0.513 51 K N 0.651 121.084 120.400 0.055 0.000 2.382 51 K HA 0.344 4.664 4.320 0.000 0.000 0.275 51 K C -0.356 176.272 176.600 0.046 0.000 1.009 51 K CA -0.314 55.996 56.287 0.039 0.000 0.970 51 K CB 1.869 34.394 32.500 0.041 0.000 0.934 51 K HN -0.011 nan 8.250 nan 0.000 0.479 52 V N 4.269 124.165 119.914 -0.031 0.000 2.841 52 V HA 0.238 4.358 4.120 0.000 0.000 0.310 52 V C -2.329 173.642 176.094 -0.205 0.000 1.090 52 V CA -2.049 60.149 62.300 -0.171 0.000 0.930 52 V CB 2.010 33.693 31.823 -0.234 0.000 1.014 52 V HN 0.613 nan 8.190 nan 0.000 0.425 53 P HA 0.087 nan 4.420 nan 0.000 0.264 53 P C 0.504 177.684 177.300 -0.200 0.000 1.193 53 P CA 0.083 63.063 63.100 -0.201 0.000 0.763 53 P CB 0.626 32.199 31.700 -0.211 0.000 0.810 54 Q N 4.469 124.200 119.800 -0.114 0.000 2.173 54 Q HA -0.264 4.076 4.340 0.000 0.000 0.208 54 Q C 1.815 177.746 176.000 -0.116 0.000 0.989 54 Q CA 1.945 57.692 55.803 -0.093 0.000 0.872 54 Q CB -0.434 28.271 28.738 -0.054 0.000 0.909 54 Q HN 0.373 nan 8.270 nan 0.000 0.420 55 K N -1.107 119.221 120.400 -0.119 0.000 2.032 55 K HA -0.139 4.181 4.320 0.000 0.000 0.209 55 K C 1.847 178.322 176.600 -0.209 0.000 1.048 55 K CA 1.646 57.864 56.287 -0.116 0.000 0.927 55 K CB -0.102 32.363 32.500 -0.058 0.000 0.712 55 K HN 0.173 nan 8.250 nan 0.000 0.441 56 V N 1.647 121.341 119.914 -0.366 0.000 2.307 56 V HA -0.229 3.891 4.120 0.000 0.000 0.245 56 V C 2.436 178.345 176.094 -0.309 0.000 1.045 56 V CA 1.971 63.970 62.300 -0.502 0.000 1.024 56 V CB -0.493 30.809 31.823 -0.868 0.000 0.651 56 V HN 0.427 nan 8.190 nan 0.000 0.449 57 K N 0.045 120.311 120.400 -0.223 0.000 2.074 57 K HA -0.272 4.048 4.320 0.000 0.000 0.209 57 K C 1.817 178.317 176.600 -0.166 0.000 1.048 57 K CA 2.207 58.414 56.287 -0.132 0.000 0.926 57 K CB -0.294 32.160 32.500 -0.078 0.000 0.713 57 K HN 0.444 nan 8.250 nan 0.000 0.444 58 D N 1.012 121.330 120.400 -0.136 0.000 2.117 58 D HA -0.155 4.485 4.640 0.000 0.000 0.198 58 D C 2.062 178.294 176.300 -0.114 0.000 0.982 58 D CA 0.795 54.734 54.000 -0.101 0.000 0.828 58 D CB -0.190 40.568 40.800 -0.071 0.000 0.967 58 D HN 0.229 nan 8.370 nan 0.000 0.464 59 L N 0.751 121.887 121.223 -0.145 0.000 1.970 59 L HA -0.229 4.111 4.340 0.000 0.000 0.212 59 L C 2.487 179.246 176.870 -0.185 0.000 1.071 59 L CA 1.441 56.197 54.840 -0.139 0.000 0.751 59 L CB -0.375 41.594 42.059 -0.150 0.000 0.889 59 L HN -0.010 nan 8.230 nan 0.000 0.432 60 A N -0.867 121.762 122.820 -0.318 0.000 1.892 60 A HA -0.335 3.985 4.320 0.000 0.000 0.218 60 A C 2.104 179.554 177.584 -0.223 0.000 1.188 60 A CA 2.146 53.904 52.037 -0.464 0.000 0.631 60 A CB -0.644 17.671 19.000 -1.142 0.000 0.822 60 A HN 0.472 nan 8.150 nan 0.000 0.447 61 Q N -1.338 118.358 119.800 -0.174 0.000 2.084 61 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 61 Q C 2.231 178.327 176.000 0.159 0.000 0.978 61 Q CA 1.948 57.771 55.803 0.033 0.000 0.844 61 Q CB -0.217 28.508 28.738 -0.021 0.000 0.898 61 Q HN 0.648 nan 8.270 nan 0.000 0.426 62 Q N -0.930 118.891 119.800 0.035 0.000 2.167 62 Q HA -0.077 4.263 4.340 0.000 0.000 0.202 62 Q C 1.412 177.419 176.000 0.011 0.000 0.970 62 Q CA 1.228 57.042 55.803 0.019 0.000 0.855 62 Q CB 0.327 29.060 28.738 -0.008 0.000 0.911 62 Q HN 0.345 nan 8.270 nan 0.000 0.438 63 Q N -1.792 118.015 119.800 0.012 0.000 2.391 63 Q HA 0.074 4.414 4.340 0.000 0.000 0.243 63 Q C 1.838 177.841 176.000 0.005 0.000 0.874 63 Q CA 0.238 56.051 55.803 0.016 0.000 0.950 63 Q CB -0.126 28.584 28.738 -0.046 0.000 1.103 63 Q HN 0.502 nan 8.270 nan 0.000 0.544 64 F N 1.589 121.457 119.950 -0.136 0.000 2.087 64 F HA -0.208 4.320 4.527 0.000 0.000 0.299 64 F C 2.056 177.820 175.800 -0.059 0.000 1.100 64 F CA 1.607 59.539 58.000 -0.112 0.000 1.226 64 F CB -0.928 38.000 39.000 -0.120 0.000 0.983 64 F HN -0.017 nan 8.300 nan 0.000 0.479 65 A N 1.154 123.282 122.820 -1.155 0.000 1.877 65 A HA 0.026 4.346 4.320 0.000 0.000 0.216 65 A C 2.557 179.910 177.584 -0.385 0.000 1.186 65 A CA 1.914 53.454 52.037 -0.828 0.000 0.620 65 A CB -1.801 16.766 19.000 -0.721 0.000 0.822 65 A HN 0.605 nan 8.150 nan 0.000 0.443 66 G N -1.809 106.866 108.800 -0.209 0.000 2.421 66 G HA2 -0.219 3.741 3.960 0.000 0.000 0.216 66 G HA3 -0.219 3.741 3.960 0.000 0.000 0.216 66 G C 1.482 176.334 174.900 -0.080 0.000 1.171 66 G CA 1.218 46.262 45.100 -0.095 0.000 0.775 66 G HN 0.505 nan 8.290 nan 0.000 0.543 67 Y N 1.334 121.522 120.300 -0.185 0.000 2.181 67 Y HA 0.036 4.586 4.550 -0.000 0.000 0.288 67 Y C 3.143 178.895 175.900 -0.247 0.000 1.146 67 Y CA 0.815 58.815 58.100 -0.167 0.000 1.164 67 Y CB -0.462 37.931 38.460 -0.113 0.000 0.982 67 Y HN 0.267 nan 8.280 nan 0.000 0.515 68 A N -0.058 122.658 122.820 -0.173 0.000 1.877 68 A HA -0.238 4.082 4.320 0.000 0.000 0.216 68 A C 2.177 179.549 177.584 -0.354 0.000 1.186 68 A CA 2.063 53.883 52.037 -0.361 0.000 0.620 68 A CB -0.573 17.948 19.000 -0.798 0.000 0.822 68 A HN 0.290 nan 8.150 nan 0.000 0.443 69 K N 0.439 120.624 120.400 -0.358 0.000 2.057 69 K HA 0.016 4.336 4.320 0.000 0.000 0.207 69 K C 1.933 178.509 176.600 -0.040 0.000 1.049 69 K CA 1.793 58.044 56.287 -0.060 0.000 0.931 69 K CB -0.706 31.802 32.500 0.014 0.000 0.714 69 K HN 0.316 nan 8.250 nan 0.000 0.440 70 A N 0.439 123.191 122.820 -0.112 0.000 1.902 70 A HA -0.083 4.237 4.320 0.000 0.000 0.217 70 A C 2.100 179.612 177.584 -0.120 0.000 1.181 70 A CA 1.544 53.508 52.037 -0.123 0.000 0.623 70 A CB -0.652 18.231 19.000 -0.195 0.000 0.818 70 A HN 0.351 nan 8.150 nan 0.000 0.443 71 L N -0.249 120.872 121.223 -0.171 0.000 2.156 71 L HA -0.070 4.270 4.340 0.000 0.000 0.208 71 L C 1.541 178.386 176.870 -0.042 0.000 1.095 71 L CA 2.034 56.752 54.840 -0.204 0.000 0.770 71 L CB -0.608 41.144 42.059 -0.512 0.000 0.914 71 L HN 0.286 nan 8.230 nan 0.000 0.439 72 D N -0.203 120.242 120.400 0.074 0.000 2.117 72 D HA -0.224 4.416 4.640 0.000 0.000 0.197 72 D C 2.060 178.428 176.300 0.113 0.000 0.987 72 D CA 1.095 55.219 54.000 0.208 0.000 0.829 72 D CB 0.033 41.009 40.800 0.294 0.000 0.961 72 D HN 0.331 nan 8.370 nan 0.000 0.460 73 K N 0.341 120.777 120.400 0.060 0.000 2.360 73 K HA -0.110 4.210 4.320 0.000 0.000 0.201 73 K C 1.393 177.999 176.600 0.009 0.000 1.046 73 K CA 0.772 57.076 56.287 0.029 0.000 0.945 73 K CB 0.245 32.746 32.500 0.002 0.000 0.750 73 K HN -0.032 nan 8.250 nan 0.000 0.464 74 Q N -0.172 119.628 119.800 0.001 0.000 2.403 74 Q HA 0.013 4.353 4.340 0.000 0.000 0.203 74 Q C 0.673 176.688 176.000 0.024 0.000 0.932 74 Q CA 0.679 56.477 55.803 -0.009 0.000 0.945 74 Q CB 1.032 29.747 28.738 -0.039 0.000 1.045 74 Q HN 0.375 nan 8.270 nan 0.000 0.511 75 S N -1.440 114.290 115.700 0.050 0.000 3.053 75 S HA 0.118 4.588 4.470 0.000 0.000 0.255 75 S C -0.064 174.573 174.600 0.062 0.000 0.976 75 S CA -0.638 57.599 58.200 0.063 0.000 1.159 75 S CB 0.043 63.301 63.200 0.097 0.000 1.110 75 S HN 0.149 nan 8.310 nan 0.000 0.633 76 N N 2.170 120.902 118.700 0.052 0.000 2.650 76 N HA -0.154 4.586 4.740 0.000 0.000 0.272 76 N C 0.011 175.557 175.510 0.061 0.000 1.058 76 N CA 1.092 54.171 53.050 0.048 0.000 0.765 76 N CB -1.175 37.331 38.487 0.033 0.000 0.902 76 N HN 0.893 nan 8.380 nan 0.000 0.551 77 A N 1.224 124.097 122.820 0.088 0.000 2.295 77 A HA 0.433 4.753 4.320 0.000 0.000 0.318 77 A C 0.453 178.088 177.584 0.086 0.000 1.134 77 A CA -0.695 51.401 52.037 0.098 0.000 0.827 77 A CB 0.891 19.983 19.000 0.153 0.000 1.136 77 A HN 0.259 nan 8.150 nan 0.000 0.493 78 K N 2.561 122.998 120.400 0.061 0.000 2.262 78 K HA 0.269 4.589 4.320 0.000 0.000 0.288 78 K C 0.204 176.820 176.600 0.027 0.000 1.090 78 K CA -0.093 56.216 56.287 0.037 0.000 0.918 78 K CB -0.052 32.459 32.500 0.017 0.000 1.139 78 K HN 0.828 nan 8.250 nan 0.000 0.462 79 T N 0.191 114.764 114.554 0.031 0.000 2.785 79 T HA 0.214 4.564 4.350 0.000 0.000 0.341 79 T C 0.853 175.454 174.700 -0.165 0.000 1.093 79 T CA -0.265 61.815 62.100 -0.034 0.000 1.103 79 T CB 0.786 69.652 68.868 -0.002 0.000 1.011 79 T HN 0.725 nan 8.240 nan 0.000 0.549 80 G N -0.122 108.431 108.800 -0.412 0.000 2.650 80 G HA2 0.507 4.467 3.960 0.000 0.000 0.310 80 G HA3 0.507 4.467 3.960 0.000 0.000 0.310 80 G C -1.658 172.943 174.900 -0.499 0.000 1.270 80 G CA -1.253 43.639 45.100 -0.347 0.000 0.810 80 G HN 0.686 nan 8.290 nan 0.000 0.493 81 K N 0.954 121.188 120.400 -0.278 0.000 2.250 81 K HA 0.356 4.676 4.320 0.000 0.000 0.285 81 K C -1.203 175.346 176.600 -0.086 0.000 1.097 81 K CA -0.100 56.089 56.287 -0.163 0.000 0.913 81 K CB 0.561 33.034 32.500 -0.045 0.000 1.179 81 K HN 0.358 nan 8.250 nan 0.000 0.462 82 Y N 1.808 122.185 120.300 0.129 0.000 2.309 82 Y HA 0.155 4.705 4.550 -0.000 0.000 0.327 82 Y C 0.544 176.680 175.900 0.393 0.000 1.172 82 Y CA -0.223 58.017 58.100 0.235 0.000 1.280 82 Y CB 0.768 39.345 38.460 0.194 0.000 1.234 82 Y HN 0.482 nan 8.280 nan 0.000 0.512 83 E N 1.937 122.475 120.200 0.564 0.000 2.408 83 E HA 0.455 4.805 4.350 0.000 0.000 0.275 83 E C -1.545 175.044 176.600 -0.018 0.000 0.935 83 E CA -1.003 55.586 56.400 0.314 0.000 0.775 83 E CB 2.659 32.452 29.700 0.156 0.000 1.277 83 E HN 0.414 nan 8.360 nan 0.000 0.455 84 L N 2.013 122.960 121.223 -0.460 0.000 2.272 84 L HA 0.459 4.799 4.340 0.000 0.000 0.289 84 L C 0.531 177.326 176.870 -0.124 0.000 1.032 84 L CA -0.323 54.217 54.840 -0.500 0.000 0.810 84 L CB 1.076 42.604 42.059 -0.886 0.000 1.205 84 L HN 0.702 nan 8.230 nan 0.000 0.422 85 G N 2.746 111.559 108.800 0.022 0.000 2.553 85 G HA2 0.118 4.078 3.960 0.000 0.000 0.278 85 G HA3 0.118 4.078 3.960 0.000 0.000 0.278 85 G C -0.467 174.503 174.900 0.117 0.000 1.349 85 G CA -0.405 44.738 45.100 0.073 0.000 1.037 85 G HN 0.646 nan 8.290 nan 0.000 0.508 86 E N -0.544 119.709 120.200 0.088 0.000 2.331 86 E HA 0.470 4.820 4.350 0.000 0.000 0.272 86 E C 0.375 176.981 176.600 0.011 0.000 1.036 86 E CA -0.631 55.803 56.400 0.058 0.000 0.864 86 E CB 0.914 30.637 29.700 0.039 0.000 1.035 86 E HN 0.548 nan 8.360 nan 0.000 0.408 87 A N 3.942 126.610 122.820 -0.254 0.000 2.477 87 A HA 0.349 4.669 4.320 0.000 0.000 0.246 87 A C -0.545 176.994 177.584 -0.074 0.000 1.078 87 A CA -0.185 51.541 52.037 -0.518 0.000 0.770 87 A CB -0.203 18.113 19.000 -1.140 0.000 1.011 87 A HN 0.531 nan 8.150 nan 0.000 0.494 88 F N 0.225 120.124 119.950 -0.085 0.000 2.594 88 F HA 0.896 5.423 4.527 -0.000 0.000 0.335 88 F C -0.236 175.606 175.800 0.069 0.000 1.058 88 F CA -1.397 56.606 58.000 0.004 0.000 0.981 88 F CB 1.348 40.349 39.000 0.001 0.000 1.289 88 F HN 0.407 nan 8.300 nan 0.000 0.490 89 K N 0.924 121.444 120.400 0.200 0.000 2.350 89 K HA 0.721 5.042 4.320 0.000 0.000 0.241 89 K C -1.294 175.283 176.600 -0.038 0.000 0.994 89 K CA -0.551 55.717 56.287 -0.031 0.000 0.839 89 K CB 2.582 34.975 32.500 -0.179 0.000 1.244 89 K HN 0.644 nan 8.250 nan 0.000 0.443 90 I N 1.464 121.877 120.570 -0.261 0.000 2.693 90 I HA 0.439 4.609 4.170 0.000 0.000 0.303 90 I C -1.176 174.634 176.117 -0.511 0.000 1.025 90 I CA -0.963 60.240 61.300 -0.161 0.000 1.086 90 I CB 1.278 39.296 38.000 0.030 0.000 1.268 90 I HN 0.464 nan 8.210 nan 0.000 0.440 91 Y N 2.645 122.978 120.300 0.055 0.000 2.512 91 Y HA 0.424 4.974 4.550 0.000 0.000 0.348 91 Y C -0.155 175.706 175.900 -0.065 0.000 0.990 91 Y CA -1.062 57.033 58.100 -0.008 0.000 1.033 91 Y CB 1.512 39.949 38.460 -0.039 0.000 1.259 91 Y HN 0.325 nan 8.280 nan 0.000 0.461 92 K N 1.132 121.588 120.400 0.095 0.000 2.180 92 K HA 0.147 4.467 4.320 0.000 0.000 0.251 92 K C 0.164 176.798 176.600 0.056 0.000 1.014 92 K CA -0.161 56.174 56.287 0.080 0.000 0.913 92 K CB 0.404 32.938 32.500 0.056 0.000 1.008 92 K HN 0.608 nan 8.250 nan 0.000 0.490 93 F N 1.358 121.374 119.950 0.110 0.000 2.333 93 F HA -0.170 4.357 4.527 0.000 0.000 0.300 93 F C 1.933 177.763 175.800 0.050 0.000 1.083 93 F CA 0.945 58.981 58.000 0.060 0.000 1.395 93 F CB -0.320 38.689 39.000 0.015 0.000 1.056 93 F HN 0.581 nan 8.300 nan 0.000 0.529 94 N N -0.056 118.774 118.700 0.218 0.000 2.383 94 N HA 0.108 4.848 4.740 0.000 0.000 0.192 94 N C 1.516 177.078 175.510 0.087 0.000 1.141 94 N CA 0.945 54.075 53.050 0.133 0.000 0.851 94 N CB 0.061 38.618 38.487 0.117 0.000 0.976 94 N HN 0.311 nan 8.380 nan 0.000 0.465 95 G N -0.248 108.605 108.800 0.089 0.000 2.194 95 G HA2 -0.308 3.652 3.960 0.000 0.000 0.236 95 G HA3 -0.308 3.652 3.960 0.000 0.000 0.236 95 G C -0.257 174.732 174.900 0.149 0.000 0.987 95 G CA 0.140 45.287 45.100 0.078 0.000 0.635 95 G HN 0.604 nan 8.290 nan 0.000 0.520 96 E N 1.133 121.401 120.200 0.112 0.000 2.376 96 E HA 0.342 4.692 4.350 0.000 0.000 0.266 96 E C 0.128 176.797 176.600 0.114 0.000 1.009 96 E CA -0.171 56.276 56.400 0.079 0.000 0.902 96 E CB 0.302 29.996 29.700 -0.011 0.000 0.972 96 E HN 0.441 nan 8.360 nan 0.000 0.439 97 E N 4.483 124.729 120.200 0.077 0.000 2.200 97 E HA -0.009 4.341 4.350 0.000 0.000 0.283 97 E C -0.547 175.958 176.600 -0.159 0.000 1.015 97 E CA -0.654 55.683 56.400 -0.105 0.000 0.819 97 E CB 0.814 30.484 29.700 -0.049 0.000 1.081 97 E HN 0.526 nan 8.360 nan 0.000 0.397 98 D N 3.298 123.566 120.400 -0.219 0.000 2.488 98 D HA -0.102 4.538 4.640 0.000 0.000 0.238 98 D C 0.581 176.794 176.300 -0.144 0.000 1.138 98 D CA 0.055 54.017 54.000 -0.063 0.000 0.873 98 D CB 0.703 41.544 40.800 0.070 0.000 1.183 98 D HN 0.589 nan 8.370 nan 0.000 0.458 99 N N 1.293 119.937 118.700 -0.093 0.000 2.521 99 N HA -0.075 4.665 4.740 0.000 0.000 0.188 99 N C -0.461 174.857 175.510 -0.321 0.000 1.146 99 N CA -0.159 52.789 53.050 -0.171 0.000 0.893 99 N CB 0.290 38.735 38.487 -0.071 0.000 0.975 99 N HN 0.012 nan 8.380 nan 0.000 0.451 100 S N -1.002 114.419 115.700 -0.466 0.000 2.739 100 S HA 0.520 4.990 4.470 0.000 0.000 0.306 100 S C -1.133 172.946 174.600 -0.868 0.000 1.115 100 S CA -0.656 57.186 58.200 -0.596 0.000 0.985 100 S CB 0.698 63.419 63.200 -0.799 0.000 1.133 100 S HN 0.164 nan 8.310 nan 0.000 0.541 101 Y N 0.311 120.277 120.300 -0.555 0.000 2.376 101 Y HA 0.512 5.062 4.550 0.000 0.000 0.340 101 Y C -1.086 174.360 175.900 -0.756 0.000 0.965 101 Y CA -0.792 56.999 58.100 -0.516 0.000 1.078 101 Y CB 0.921 39.181 38.460 -0.334 0.000 1.193 101 Y HN 0.507 nan 8.280 nan 0.000 0.452 102 Y N 2.428 122.441 120.300 -0.478 0.000 2.328 102 Y HA 0.470 5.020 4.550 0.000 0.000 0.337 102 Y C -1.103 174.481 175.900 -0.527 0.000 0.966 102 Y CA -1.422 56.344 58.100 -0.556 0.000 1.136 102 Y CB 0.777 38.594 38.460 -1.072 0.000 1.170 102 Y HN 0.482 nan 8.280 nan 0.000 0.470 103 Y N 4.062 124.344 120.300 -0.029 0.000 2.335 103 Y HA 0.465 5.015 4.550 0.000 0.000 0.338 103 Y C -2.389 173.612 175.900 0.168 0.000 0.977 103 Y CA -2.955 55.178 58.100 0.054 0.000 1.114 103 Y CB 1.581 40.019 38.460 -0.038 0.000 1.182 103 Y HN 0.419 nan 8.280 nan 0.000 0.463 104 P HA 0.124 nan 4.420 nan 0.000 0.276 104 P C -0.993 176.446 177.300 0.231 0.000 1.230 104 P CA -0.165 63.118 63.100 0.306 0.000 0.776 104 P CB 0.903 32.745 31.700 0.237 0.000 0.888 105 V N 5.779 125.843 119.914 0.250 0.000 2.328 105 V HA 0.310 4.430 4.120 0.000 0.000 0.278 105 V C 0.343 176.580 176.094 0.238 0.000 1.021 105 V CA -0.328 62.134 62.300 0.270 0.000 0.838 105 V CB 0.558 32.604 31.823 0.371 0.000 0.999 105 V HN 0.404 nan 8.190 nan 0.000 0.447 106 I N 4.946 125.651 120.570 0.226 0.000 2.392 106 I HA 0.495 4.665 4.170 0.000 0.000 0.295 106 I C 0.075 176.339 176.117 0.243 0.000 0.985 106 I CA -0.474 60.934 61.300 0.181 0.000 1.221 106 I CB 1.433 39.507 38.000 0.122 0.000 1.366 106 I HN 0.468 nan 8.210 nan 0.000 0.467 107 K N 6.011 126.506 120.400 0.159 0.000 2.535 107 K HA 0.181 4.501 4.320 0.000 0.000 0.253 107 K C -0.923 175.689 176.600 0.021 0.000 0.953 107 K CA -0.410 55.945 56.287 0.113 0.000 0.863 107 K CB 0.777 33.353 32.500 0.128 0.000 1.111 107 K HN 0.609 nan 8.250 nan 0.000 0.431 108 D N 3.674 124.068 120.400 -0.009 0.000 2.708 108 D HA -0.208 4.432 4.640 0.000 0.000 0.236 108 D C 0.723 177.026 176.300 0.004 0.000 1.146 108 D CA 1.809 55.799 54.000 -0.016 0.000 0.662 108 D CB -1.056 39.721 40.800 -0.037 0.000 1.059 108 D HN 1.111 nan 8.370 nan 0.000 0.428 109 G N -0.852 107.962 108.800 0.023 0.000 2.253 109 G HA2 -0.357 3.603 3.960 0.000 0.000 0.251 109 G HA3 -0.357 3.603 3.960 0.000 0.000 0.251 109 G C 0.339 175.251 174.900 0.020 0.000 0.998 109 G CA 0.654 45.767 45.100 0.021 0.000 0.621 109 G HN 0.487 nan 8.290 nan 0.000 0.524 110 K N 0.333 120.743 120.400 0.017 0.000 2.138 110 K HA 0.642 4.962 4.320 0.000 0.000 0.263 110 K C 0.199 176.809 176.600 0.016 0.000 0.965 110 K CA -0.842 55.450 56.287 0.008 0.000 0.868 110 K CB 1.746 34.240 32.500 -0.009 0.000 1.083 110 K HN 0.217 nan 8.250 nan 0.000 0.443 111 I N 3.770 124.348 120.570 0.014 0.000 2.363 111 I HA -0.055 4.115 4.170 0.000 0.000 0.292 111 I C 1.236 177.340 176.117 -0.022 0.000 1.075 111 I CA -0.126 61.191 61.300 0.028 0.000 1.333 111 I CB 0.507 38.531 38.000 0.038 0.000 1.415 111 I HN 0.524 nan 8.210 nan 0.000 0.502 112 V N 3.810 123.674 119.914 -0.083 0.000 3.570 112 V HA 0.265 4.385 4.120 0.000 0.000 0.257 112 V C 0.051 175.903 176.094 -0.403 0.000 1.272 112 V CA 0.411 62.523 62.300 -0.314 0.000 1.079 112 V CB -0.383 31.107 31.823 -0.556 0.000 0.829 112 V HN 0.533 nan 8.190 nan 0.000 0.454 113 Y N -0.224 120.165 120.300 0.150 0.000 2.677 113 Y HA 0.802 5.352 4.550 -0.000 0.000 0.334 113 Y C -0.132 175.887 175.900 0.197 0.000 1.154 113 Y CA -1.247 56.949 58.100 0.161 0.000 1.070 113 Y CB 1.595 40.144 38.460 0.147 0.000 1.294 113 Y HN -0.171 nan 8.280 nan 0.000 0.475 114 T N 2.219 117.029 114.554 0.427 0.000 2.879 114 T HA 0.460 4.810 4.350 0.000 0.000 0.290 114 T C -1.620 173.260 174.700 0.300 0.000 0.993 114 T CA -0.440 61.893 62.100 0.388 0.000 0.975 114 T CB 1.231 70.396 68.868 0.495 0.000 0.981 114 T HN 0.387 nan 8.240 nan 0.000 0.439 115 L N 3.746 125.114 121.223 0.242 0.000 2.264 115 L HA 0.569 4.909 4.340 0.000 0.000 0.289 115 L C -0.110 176.809 176.870 0.081 0.000 1.044 115 L CA 0.206 55.111 54.840 0.109 0.000 0.807 115 L CB 1.050 43.130 42.059 0.035 0.000 1.192 115 L HN 0.618 nan 8.230 nan 0.000 0.425 116 T N 6.075 120.622 114.554 -0.011 0.000 2.771 116 T HA 0.508 4.858 4.350 0.000 0.000 0.281 116 T C -0.505 174.107 174.700 -0.147 0.000 0.982 116 T CA -0.475 61.526 62.100 -0.164 0.000 0.978 116 T CB 1.023 69.791 68.868 -0.166 0.000 0.930 116 T HN 0.267 nan 8.240 nan 0.000 0.447 117 L N 3.384 124.510 121.223 -0.161 0.000 2.298 117 L HA 0.595 4.935 4.340 0.000 0.000 0.284 117 L C 0.049 176.956 176.870 0.061 0.000 1.013 117 L CA -0.311 54.518 54.840 -0.019 0.000 0.824 117 L CB 1.235 43.273 42.059 -0.036 0.000 1.221 117 L HN 0.686 nan 8.230 nan 0.000 0.418 118 S N 3.515 119.290 115.700 0.125 0.000 2.661 118 S HA 0.596 5.066 4.470 0.000 0.000 0.285 118 S C -2.647 171.947 174.600 -0.010 0.000 1.138 118 S CA -1.313 56.900 58.200 0.021 0.000 0.855 118 S CB 2.440 65.558 63.200 -0.137 0.000 1.136 118 S HN 0.347 nan 8.310 nan 0.000 0.484 119 P HA 0.120 nan 4.420 nan 0.000 0.262 119 P C 0.263 177.507 177.300 -0.093 0.000 1.182 119 P CA 0.180 63.133 63.100 -0.246 0.000 0.761 119 P CB 0.439 32.047 31.700 -0.154 0.000 0.795 120 K N 2.759 123.101 120.400 -0.096 0.000 2.025 120 K HA -0.079 4.241 4.320 0.000 0.000 0.207 120 K C 0.214 176.825 176.600 0.019 0.000 1.049 120 K CA 1.405 57.687 56.287 -0.007 0.000 0.933 120 K CB 0.106 32.605 32.500 -0.003 0.000 0.714 120 K HN 0.488 nan 8.250 nan 0.000 0.438 121 N N -1.661 117.038 118.700 -0.001 0.000 2.697 121 N HA 0.164 4.904 4.740 0.000 0.000 0.272 121 N C -0.420 175.100 175.510 0.017 0.000 1.381 121 N CA -0.779 52.284 53.050 0.022 0.000 0.797 121 N CB 1.337 39.832 38.487 0.014 0.000 1.523 121 N HN -0.236 nan 8.380 nan 0.000 0.518 122 K N 0.328 120.748 120.400 0.033 0.000 2.034 122 K HA -0.251 4.069 4.320 0.000 0.000 0.214 122 K C 0.916 177.521 176.600 0.009 0.000 1.051 122 K CA 1.635 57.940 56.287 0.029 0.000 0.931 122 K CB -0.175 32.346 32.500 0.036 0.000 0.715 122 K HN 0.573 nan 8.250 nan 0.000 0.446 123 D N 1.045 121.447 120.400 0.003 0.000 2.239 123 D HA -0.202 4.438 4.640 0.000 0.000 0.202 123 D C 1.166 177.454 176.300 -0.020 0.000 0.993 123 D CA 1.214 55.211 54.000 -0.006 0.000 0.874 123 D CB 0.018 40.814 40.800 -0.006 0.000 0.922 123 D HN 0.209 nan 8.370 nan 0.000 0.464 124 D N -0.131 120.248 120.400 -0.035 0.000 2.277 124 D HA -0.039 4.601 4.640 0.000 0.000 0.208 124 D C 2.134 178.395 176.300 -0.065 0.000 0.962 124 D CA 0.069 54.027 54.000 -0.070 0.000 0.865 124 D CB 0.117 40.845 40.800 -0.119 0.000 0.939 124 D HN 0.363 nan 8.370 nan 0.000 0.510 125 L N 0.618 121.821 121.223 -0.034 0.000 2.549 125 L HA -0.064 4.276 4.340 0.000 0.000 0.229 125 L C 1.491 178.353 176.870 -0.013 0.000 1.158 125 L CA 0.691 55.520 54.840 -0.019 0.000 0.842 125 L CB -0.302 41.760 42.059 0.006 0.000 0.952 125 L HN 0.013 nan 8.230 nan 0.000 0.452 126 N N -0.943 117.748 118.700 -0.014 0.000 2.388 126 N HA 0.027 4.767 4.740 0.000 0.000 0.176 126 N C 0.346 175.851 175.510 -0.009 0.000 1.062 126 N CA -0.066 52.980 53.050 -0.007 0.000 0.895 126 N CB 0.491 38.975 38.487 -0.004 0.000 1.018 126 N HN 0.284 nan 8.380 nan 0.000 0.456 127 K N 1.063 121.452 120.400 -0.019 0.000 2.155 127 K HA 0.237 4.557 4.320 0.000 0.000 0.237 127 K C 0.388 176.983 176.600 -0.007 0.000 1.040 127 K CA -0.481 55.797 56.287 -0.015 0.000 0.912 127 K CB 0.799 33.282 32.500 -0.028 0.000 1.137 127 K HN -0.022 nan 8.250 nan 0.000 0.498 128 S N -0.330 115.376 115.700 0.009 0.000 2.693 128 S HA 0.169 4.639 4.470 0.000 0.000 0.276 128 S C 0.757 175.392 174.600 0.058 0.000 1.192 128 S CA -0.688 57.531 58.200 0.032 0.000 0.994 128 S CB 1.237 64.460 63.200 0.038 0.000 1.012 128 S HN 0.516 nan 8.310 nan 0.000 0.550 129 K N 0.448 120.912 120.400 0.106 0.000 2.152 129 K HA -0.111 4.209 4.320 0.000 0.000 0.206 129 K C 1.667 178.406 176.600 0.232 0.000 1.048 129 K CA 1.488 57.905 56.287 0.216 0.000 0.933 129 K CB -0.131 32.514 32.500 0.242 0.000 0.721 129 K HN 0.574 nan 8.250 nan 0.000 0.447 130 E N 0.740 121.020 120.200 0.132 0.000 2.170 130 E HA -0.090 4.260 4.350 0.000 0.000 0.191 130 E C 1.286 177.945 176.600 0.097 0.000 0.981 130 E CA 0.937 57.398 56.400 0.102 0.000 0.830 130 E CB 0.053 29.788 29.700 0.059 0.000 0.775 130 E HN 0.356 nan 8.360 nan 0.000 0.470 131 D N 0.698 121.140 120.400 0.070 0.000 2.327 131 D HA 0.025 4.665 4.640 0.000 0.000 0.205 131 D C 1.376 177.687 176.300 0.017 0.000 0.989 131 D CA 0.095 54.120 54.000 0.041 0.000 0.873 131 D CB 0.125 40.938 40.800 0.021 0.000 0.955 131 D HN 0.251 nan 8.370 nan 0.000 0.515 132 M N 0.435 120.022 119.600 -0.021 0.000 2.232 132 M HA 0.173 4.653 4.480 0.000 0.000 0.321 132 M C -0.007 176.194 176.300 -0.165 0.000 1.101 132 M CA 0.120 55.334 55.300 -0.144 0.000 1.181 132 M CB 0.595 33.019 32.600 -0.295 0.000 1.432 132 M HN -0.358 nan 8.290 nan 0.000 0.457 133 N N 1.187 119.778 118.700 -0.181 0.000 2.498 133 N HA 0.380 5.120 4.740 0.000 0.000 0.287 133 N C -1.767 173.616 175.510 -0.212 0.000 1.097 133 N CA -0.169 52.833 53.050 -0.080 0.000 0.973 133 N CB 1.006 39.474 38.487 -0.032 0.000 1.153 133 N HN 0.584 nan 8.380 nan 0.000 0.472 134 Y N -0.214 120.084 120.300 -0.004 0.000 2.393 134 Y HA 0.228 4.778 4.550 -0.000 0.000 0.341 134 Y C 0.900 176.797 175.900 -0.006 0.000 0.988 134 Y CA -0.809 57.287 58.100 -0.008 0.000 1.078 134 Y CB 1.375 39.822 38.460 -0.022 0.000 1.203 134 Y HN 0.401 nan 8.280 nan 0.000 0.453 135 S N 1.277 117.065 115.700 0.146 0.000 2.646 135 S HA 0.755 5.225 4.470 0.000 0.000 0.276 135 S C -0.818 173.828 174.600 0.076 0.000 1.222 135 S CA -0.707 57.559 58.200 0.111 0.000 1.014 135 S CB 1.355 64.622 63.200 0.111 0.000 0.991 135 S HN 0.369 nan 8.310 nan 0.000 0.533 136 V N 2.345 122.283 119.914 0.040 0.000 2.417 136 V HA 0.605 4.725 4.120 0.000 0.000 0.291 136 V C -0.019 176.032 176.094 -0.073 0.000 1.024 136 V CA -0.641 61.573 62.300 -0.144 0.000 0.861 136 V CB 1.360 32.943 31.823 -0.401 0.000 0.985 136 V HN 1.004 nan 8.190 nan 0.000 0.436 137 K N 4.865 125.215 120.400 -0.082 0.000 2.426 137 K HA 0.745 5.065 4.320 0.000 0.000 0.251 137 K C -1.815 174.812 176.600 0.046 0.000 0.941 137 K CA -0.701 55.644 56.287 0.096 0.000 0.808 137 K CB 2.800 35.377 32.500 0.128 0.000 1.265 137 K HN 0.676 nan 8.250 nan 0.000 0.432 138 I N 2.241 122.905 120.570 0.157 0.000 2.608 138 I HA 0.449 4.619 4.170 0.000 0.000 0.295 138 I C -1.191 174.937 176.117 0.018 0.000 1.049 138 I CA -0.096 61.258 61.300 0.091 0.000 1.063 138 I CB 2.027 40.097 38.000 0.116 0.000 1.248 138 I HN 0.990 nan 8.210 nan 0.000 0.424 139 S N 3.515 119.252 115.700 0.061 0.000 2.703 139 S HA 0.317 4.787 4.470 0.000 0.000 0.273 139 S C -0.643 174.117 174.600 0.266 0.000 1.178 139 S CA -0.634 57.621 58.200 0.092 0.000 0.838 139 S CB 1.033 64.309 63.200 0.127 0.000 1.178 139 S HN 0.698 nan 8.310 nan 0.000 0.494 140 N N 0.246 119.136 118.700 0.316 0.000 2.295 140 N HA 0.148 4.888 4.740 0.000 0.000 0.221 140 N C -0.305 175.372 175.510 0.280 0.000 1.129 140 N CA -0.581 52.691 53.050 0.369 0.000 0.836 140 N CB -0.638 38.041 38.487 0.319 0.000 1.040 140 N HN 0.546 nan 8.380 nan 0.000 0.494 141 F N 3.786 123.825 119.950 0.148 0.000 2.473 141 F HA -0.098 4.429 4.527 -0.000 0.000 0.405 141 F C 1.548 177.389 175.800 0.068 0.000 0.988 141 F CA -0.135 57.909 58.000 0.074 0.000 1.096 141 F CB -0.293 38.746 39.000 0.065 0.000 0.944 141 F HN 0.293 nan 8.300 nan 0.000 0.530 142 I N 2.796 123.050 120.570 -0.527 0.000 5.839 142 I HA -0.433 3.737 4.170 0.000 0.000 0.194 142 I C 1.109 177.130 176.117 -0.160 0.000 1.676 142 I CA 0.951 61.970 61.300 -0.469 0.000 2.300 142 I CB -2.181 35.374 38.000 -0.743 0.000 3.105 142 I HN 0.593 nan 8.210 nan 0.000 0.327 143 A N 0.991 123.794 122.820 -0.030 0.000 1.877 143 A HA -0.159 4.161 4.320 0.000 0.000 0.216 143 A C 2.248 179.832 177.584 -0.001 0.000 1.186 143 A CA 1.945 54.004 52.037 0.037 0.000 0.620 143 A CB -0.408 18.644 19.000 0.086 0.000 0.822 143 A HN 0.552 nan 8.150 nan 0.000 0.443 144 K N 0.240 120.628 120.400 -0.020 0.000 2.063 144 K HA -0.162 4.158 4.320 0.000 0.000 0.208 144 K C 1.594 178.176 176.600 -0.030 0.000 1.048 144 K CA 1.637 57.907 56.287 -0.027 0.000 0.928 144 K CB -0.585 31.896 32.500 -0.033 0.000 0.713 144 K HN 0.589 nan 8.250 nan 0.000 0.442 145 D N 0.779 121.143 120.400 -0.059 0.000 2.117 145 D HA -0.149 4.491 4.640 0.000 0.000 0.197 145 D C 2.123 178.495 176.300 0.121 0.000 0.987 145 D CA 0.948 54.925 54.000 -0.039 0.000 0.829 145 D CB -0.034 40.615 40.800 -0.252 0.000 0.961 145 D HN 0.167 nan 8.370 nan 0.000 0.460 146 L N 0.565 121.849 121.223 0.102 0.000 2.109 146 L HA -0.141 4.199 4.340 0.000 0.000 0.207 146 L C 2.267 179.138 176.870 0.001 0.000 1.086 146 L CA 0.830 55.694 54.840 0.040 0.000 0.760 146 L CB -0.280 41.752 42.059 -0.045 0.000 0.910 146 L HN -0.080 nan 8.230 nan 0.000 0.437 147 D N -0.028 120.374 120.400 0.004 0.000 2.104 147 D HA -0.244 4.396 4.640 0.000 0.000 0.194 147 D C 2.217 178.514 176.300 -0.005 0.000 0.994 147 D CA 1.337 55.335 54.000 -0.004 0.000 0.830 147 D CB 0.096 40.891 40.800 -0.007 0.000 0.959 147 D HN 0.229 nan 8.370 nan 0.000 0.452 148 Q N -0.691 119.109 119.800 0.001 0.000 2.297 148 Q HA -0.094 4.246 4.340 0.000 0.000 0.208 148 Q C 1.579 177.579 176.000 0.001 0.000 0.981 148 Q CA 1.127 56.930 55.803 0.000 0.000 0.876 148 Q CB -0.058 28.680 28.738 0.001 0.000 0.921 148 Q HN 0.641 nan 8.270 nan 0.000 0.446 149 I N -3.024 117.547 120.570 0.001 0.000 3.947 149 I HA 0.152 4.322 4.170 0.000 0.000 0.327 149 I C 1.240 177.335 176.117 -0.036 0.000 1.519 149 I CA -0.344 60.948 61.300 -0.013 0.000 1.122 149 I CB 0.198 38.195 38.000 -0.005 0.000 1.146 149 I HN -0.071 nan 8.210 nan 0.000 0.442 150 K N 0.404 120.784 120.400 -0.033 0.000 2.209 150 K HA -0.097 4.223 4.320 0.000 0.000 0.204 150 K C 0.648 177.226 176.600 -0.036 0.000 1.048 150 K CA 1.718 57.979 56.287 -0.042 0.000 0.940 150 K CB -0.186 32.298 32.500 -0.028 0.000 0.729 150 K HN 0.313 nan 8.250 nan 0.000 0.451 151 D N 0.975 121.359 120.400 -0.026 0.000 2.366 151 D HA -0.007 4.633 4.640 0.000 0.000 0.205 151 D C 0.094 176.380 176.300 -0.024 0.000 1.022 151 D CA 0.199 54.185 54.000 -0.022 0.000 0.868 151 D CB 0.239 41.030 40.800 -0.015 0.000 0.953 151 D HN 0.231 nan 8.370 nan 0.000 0.514 152 K N 1.645 122.029 120.400 -0.027 0.000 2.485 152 K HA -0.058 4.262 4.320 0.000 0.000 0.277 152 K C 0.264 176.845 176.600 -0.033 0.000 0.990 152 K CA -0.056 56.215 56.287 -0.027 0.000 0.994 152 K CB 0.365 32.849 32.500 -0.027 0.000 0.906 152 K HN -0.240 nan 8.250 nan 0.000 0.488 153 N N 2.334 121.018 118.700 -0.028 0.000 3.298 153 N HA 0.044 4.784 4.740 0.000 0.000 0.292 153 N C -1.548 173.942 175.510 -0.033 0.000 1.271 153 N CA -0.178 52.855 53.050 -0.029 0.000 1.184 153 N CB 0.209 38.683 38.487 -0.022 0.000 1.452 153 N HN 0.599 nan 8.380 nan 0.000 0.534 154 S N 0.274 115.947 115.700 -0.045 0.000 2.880 154 S HA 0.560 5.030 4.470 0.000 0.000 0.308 154 S C -1.206 173.352 174.600 -0.070 0.000 1.195 154 S CA -1.070 57.100 58.200 -0.049 0.000 0.866 154 S CB 1.273 64.447 63.200 -0.044 0.000 1.254 154 S HN 0.404 nan 8.310 nan 0.000 0.571 155 N N -0.041 118.612 118.700 -0.078 0.000 2.357 155 N HA 0.671 5.411 4.740 0.000 0.000 0.284 155 N C -0.929 174.503 175.510 -0.129 0.000 1.236 155 N CA -0.805 52.183 53.050 -0.104 0.000 0.774 155 N CB 1.856 40.294 38.487 -0.081 0.000 1.534 155 N HN 1.048 nan 8.380 nan 0.000 0.478 156 I N -3.343 117.114 120.570 -0.188 0.000 3.174 156 I HA 0.637 4.807 4.170 0.000 0.000 0.313 156 I C -1.149 174.847 176.117 -0.200 0.000 1.155 156 I CA -0.771 60.395 61.300 -0.225 0.000 0.977 156 I CB 2.428 40.158 38.000 -0.450 0.000 1.248 156 I HN 0.334 nan 8.210 nan 0.000 0.453 157 T N 2.556 117.022 114.554 -0.147 0.000 2.809 157 T HA 0.476 4.826 4.350 0.000 0.000 0.284 157 T C -0.416 174.277 174.700 -0.012 0.000 0.992 157 T CA -0.452 61.605 62.100 -0.071 0.000 0.957 157 T CB 1.714 70.552 68.868 -0.049 0.000 0.942 157 T HN 0.412 nan 8.240 nan 0.000 0.439 158 V N 5.568 125.515 119.914 0.054 0.000 2.408 158 V HA 0.391 4.511 4.120 0.000 0.000 0.267 158 V C 0.019 176.257 176.094 0.240 0.000 1.047 158 V CA -0.414 62.002 62.300 0.194 0.000 0.937 158 V CB 0.032 31.978 31.823 0.205 0.000 0.999 158 V HN 0.695 nan 8.190 nan 0.000 0.472 159 L N 3.973 125.335 121.223 0.233 0.000 2.286 159 L HA 0.877 5.217 4.340 0.000 0.000 0.265 159 L C 0.049 177.059 176.870 0.232 0.000 1.012 159 L CA -0.372 54.494 54.840 0.044 0.000 0.818 159 L CB 2.357 44.152 42.059 -0.440 0.000 1.337 159 L HN 0.617 nan 8.230 nan 0.000 0.438 160 T N -0.375 114.237 114.554 0.098 0.000 2.982 160 T HA 0.524 4.874 4.350 0.000 0.000 0.321 160 T C -1.969 172.949 174.700 0.363 0.000 1.229 160 T CA -0.612 61.583 62.100 0.158 0.000 1.044 160 T CB 1.381 70.148 68.868 -0.167 0.000 1.184 160 T HN 0.831 nan 8.240 nan 0.000 0.477 161 D N 1.978 122.630 120.400 0.419 0.000 2.781 161 D HA 0.409 5.049 4.640 0.000 0.000 0.295 161 D C 0.799 177.095 176.300 -0.007 0.000 1.143 161 D CA -0.566 53.665 54.000 0.385 0.000 1.076 161 D CB 0.229 41.193 40.800 0.275 0.000 1.444 161 D HN 0.424 nan 8.370 nan 0.000 0.567 162 E N -0.397 119.530 120.200 -0.455 0.000 2.209 162 E HA -0.115 4.235 4.350 0.000 0.000 0.196 162 E C 1.086 177.529 176.600 -0.261 0.000 0.993 162 E CA 1.381 57.493 56.400 -0.480 0.000 0.819 162 E CB -0.160 29.203 29.700 -0.562 0.000 0.745 162 E HN 0.382 nan 8.360 nan 0.000 0.477 163 K N -0.557 119.738 120.400 -0.175 0.000 2.374 163 K HA 0.278 4.598 4.320 0.000 0.000 0.196 163 K C 0.458 176.896 176.600 -0.269 0.000 1.023 163 K CA 0.292 56.472 56.287 -0.179 0.000 1.103 163 K CB 1.039 33.492 32.500 -0.079 0.000 0.848 163 K HN 0.184 nan 8.250 nan 0.000 0.528 164 G N 0.289 108.895 108.800 -0.324 0.000 2.332 164 G HA2 0.058 4.018 3.960 0.000 0.000 0.265 164 G HA3 0.058 4.018 3.960 0.000 0.000 0.265 164 G C -1.797 172.711 174.900 -0.654 0.000 1.329 164 G CA -1.084 43.717 45.100 -0.500 0.000 0.949 164 G HN 0.006 nan 8.290 nan 0.000 0.476 165 F N 0.046 119.730 119.950 -0.443 0.000 2.546 165 F HA 0.864 5.391 4.527 0.000 0.000 0.320 165 F C -0.291 175.159 175.800 -0.583 0.000 1.076 165 F CA -0.569 57.278 58.000 -0.254 0.000 0.928 165 F CB 2.226 41.213 39.000 -0.022 0.000 1.189 165 F HN 0.487 nan 8.300 nan 0.000 0.465 166 Y N 0.622 121.057 120.300 0.225 0.000 2.638 166 Y HA 0.650 5.200 4.550 0.000 0.000 0.339 166 Y C -1.208 174.885 175.900 0.322 0.000 1.084 166 Y CA -1.682 56.510 58.100 0.153 0.000 1.068 166 Y CB 1.371 39.950 38.460 0.198 0.000 1.294 166 Y HN 0.251 nan 8.280 nan 0.000 0.480 167 F N 1.010 121.068 119.950 0.181 0.000 2.482 167 F HA 0.349 4.876 4.527 -0.000 0.000 0.331 167 F C -0.028 175.817 175.800 0.074 0.000 1.115 167 F CA -1.804 56.236 58.000 0.068 0.000 0.955 167 F CB 1.959 40.960 39.000 0.002 0.000 1.136 167 F HN 0.438 nan 8.300 nan 0.000 0.452 168 E N 3.517 123.829 120.200 0.187 0.000 2.092 168 E HA 0.211 4.561 4.350 0.000 0.000 0.271 168 E C -1.190 175.439 176.600 0.048 0.000 0.919 168 E CA -0.095 56.370 56.400 0.107 0.000 0.760 168 E CB 1.076 30.808 29.700 0.053 0.000 1.106 168 E HN 0.763 nan 8.360 nan 0.000 0.408 169 E N 3.920 124.157 120.200 0.061 0.000 2.224 169 E HA 0.134 4.484 4.350 0.000 0.000 0.265 169 E C -1.042 175.571 176.600 0.020 0.000 0.878 169 E CA -0.556 55.858 56.400 0.024 0.000 0.759 169 E CB 0.824 30.548 29.700 0.040 0.000 1.164 169 E HN 0.483 nan 8.360 nan 0.000 0.414 170 D N 3.380 123.781 120.400 0.002 0.000 2.689 170 D HA -0.227 4.413 4.640 0.000 0.000 0.237 170 D C 0.776 177.081 176.300 0.009 0.000 1.148 170 D CA 1.325 55.326 54.000 0.002 0.000 0.656 170 D CB -1.316 39.487 40.800 0.003 0.000 1.050 170 D HN 0.992 nan 8.370 nan 0.000 0.426 171 G N -0.465 108.341 108.800 0.010 0.000 2.220 171 G HA2 -0.388 3.572 3.960 0.000 0.000 0.269 171 G HA3 -0.388 3.572 3.960 0.000 0.000 0.269 171 G C 0.338 175.256 174.900 0.029 0.000 0.977 171 G CA 1.052 46.162 45.100 0.016 0.000 0.634 171 G HN 0.513 nan 8.290 nan 0.000 0.539 172 K N 0.055 120.477 120.400 0.037 0.000 2.159 172 K HA 0.611 4.931 4.320 0.000 0.000 0.266 172 K C -0.332 176.316 176.600 0.080 0.000 0.975 172 K CA -0.748 55.568 56.287 0.048 0.000 0.865 172 K CB 2.674 35.199 32.500 0.041 0.000 1.087 172 K HN 0.011 nan 8.250 nan 0.000 0.446 173 V N 4.004 123.974 119.914 0.092 0.000 2.370 173 V HA 0.381 4.501 4.120 0.000 0.000 0.283 173 V C -0.271 175.921 176.094 0.162 0.000 1.023 173 V CA -0.730 61.658 62.300 0.145 0.000 0.857 173 V CB 1.025 32.936 31.823 0.147 0.000 0.985 173 V HN 0.794 nan 8.190 nan 0.000 0.443 174 R N 4.135 124.766 120.500 0.218 0.000 2.621 174 R HA 0.741 5.081 4.340 0.000 0.000 0.292 174 R C -1.172 175.261 176.300 0.222 0.000 0.969 174 R CA -0.983 55.227 56.100 0.183 0.000 0.887 174 R CB 1.743 32.096 30.300 0.089 0.000 1.180 174 R HN 0.515 nan 8.270 nan 0.000 0.450 175 L N 3.510 124.834 121.223 0.168 0.000 2.462 175 L HA 0.093 4.433 4.340 0.000 0.000 0.272 175 L C -0.042 176.684 176.870 -0.241 0.000 1.166 175 L CA 0.469 55.257 54.840 -0.087 0.000 0.880 175 L CB 1.471 43.472 42.059 -0.097 0.000 1.142 175 L HN 0.765 nan 8.230 nan 0.000 0.473 176 V N 4.018 123.701 119.914 -0.385 0.000 3.455 176 V HA 0.242 4.362 4.120 0.000 0.000 0.250 176 V C 0.415 176.298 176.094 -0.352 0.000 1.230 176 V CA 0.248 62.270 62.300 -0.464 0.000 1.105 176 V CB -0.112 31.196 31.823 -0.857 0.000 0.850 176 V HN 0.815 nan 8.190 nan 0.000 0.461 177 K N 0.471 120.700 120.400 -0.286 0.000 2.588 177 K HA 0.638 4.958 4.320 0.000 0.000 0.250 177 K C -1.078 175.408 176.600 -0.190 0.000 0.972 177 K CA -0.270 55.920 56.287 -0.161 0.000 0.821 177 K CB 1.989 34.469 32.500 -0.032 0.000 1.249 177 K HN 0.149 nan 8.250 nan 0.000 0.442 178 A N 1.967 124.653 122.820 -0.223 0.000 2.310 178 A HA 0.481 4.801 4.320 0.000 0.000 0.299 178 A C -0.150 177.086 177.584 -0.580 0.000 1.147 178 A CA -0.370 51.477 52.037 -0.317 0.000 0.818 178 A CB 0.645 19.525 19.000 -0.200 0.000 1.096 178 A HN 0.686 nan 8.150 nan 0.000 0.495 179 T N 0.639 114.721 114.554 -0.787 0.000 3.327 179 T HA 0.549 4.899 4.350 0.000 0.000 0.373 179 T C -3.020 171.131 174.700 -0.915 0.000 1.589 179 T CA -1.762 59.383 62.100 -1.592 0.000 1.497 179 T CB 0.500 68.443 68.868 -1.541 0.000 1.032 179 T HN 0.314 nan 8.240 nan 0.000 0.640 180 P HA 0.458 nan 4.420 nan 0.000 0.271 180 P C -0.653 176.704 177.300 0.096 0.000 1.220 180 P CA -0.411 62.612 63.100 -0.129 0.000 0.768 180 P CB 0.730 32.395 31.700 -0.057 0.000 0.848 181 L N 1.642 122.887 121.223 0.037 0.000 2.350 181 L HA 0.546 4.886 4.340 0.000 0.000 0.260 181 L C 1.409 178.317 176.870 0.063 0.000 1.015 181 L CA -1.020 53.879 54.840 0.098 0.000 0.821 181 L CB 1.802 43.910 42.059 0.081 0.000 1.370 181 L HN 0.231 nan 8.230 nan 0.000 0.416 182 A N 1.105 123.975 122.820 0.084 0.000 2.084 182 A HA -0.169 4.151 4.320 0.000 0.000 0.221 182 A C 1.181 178.808 177.584 0.072 0.000 1.161 182 A CA 1.959 54.039 52.037 0.072 0.000 0.653 182 A CB -0.692 18.358 19.000 0.083 0.000 0.802 182 A HN 0.845 nan 8.150 nan 0.000 0.457 183 N N -0.720 118.026 118.700 0.076 0.000 2.320 183 N HA 0.054 4.794 4.740 0.000 0.000 0.237 183 N C -0.134 175.381 175.510 0.009 0.000 1.129 183 N CA 0.560 53.647 53.050 0.061 0.000 0.854 183 N CB -0.369 38.175 38.487 0.094 0.000 1.083 183 N HN 0.645 nan 8.380 nan 0.000 0.504 184 N N -1.486 117.206 118.700 -0.013 0.000 1.863 184 N HA 0.008 4.748 4.740 0.000 0.000 0.226 184 N C 0.639 176.116 175.510 -0.056 0.000 1.421 184 N CA -0.380 52.638 53.050 -0.053 0.000 0.746 184 N CB -0.528 37.904 38.487 -0.092 0.000 1.059 184 N HN 0.026 nan 8.380 nan 0.000 0.518 185 I N 1.535 122.080 120.570 -0.042 0.000 2.756 185 I HA 0.046 4.216 4.170 0.000 0.000 0.262 185 I C -0.105 175.983 176.117 -0.047 0.000 1.225 185 I CA 0.936 62.202 61.300 -0.057 0.000 1.472 185 I CB -0.028 37.932 38.000 -0.066 0.000 1.094 185 I HN 0.337 nan 8.210 nan 0.000 0.454 186 K N 0.297 120.677 120.400 -0.032 0.000 2.954 186 K HA 0.581 4.901 4.320 0.000 0.000 0.171 186 K C -0.475 176.110 176.600 -0.026 0.000 1.079 186 K CA -0.487 55.785 56.287 -0.025 0.000 0.908 186 K CB 0.836 33.328 32.500 -0.013 0.000 1.142 186 K HN -0.021 nan 8.250 nan 0.000 0.613 187 E N 1.134 121.312 120.200 -0.037 0.000 2.430 187 E HA 0.309 4.659 4.350 0.000 0.000 0.279 187 E C -0.989 175.581 176.600 -0.051 0.000 1.003 187 E CA -0.726 55.648 56.400 -0.044 0.000 0.801 187 E CB 1.408 31.075 29.700 -0.055 0.000 1.313 187 E HN 0.205 nan 8.360 nan 0.000 0.459 188 K N 0.564 120.932 120.400 -0.054 0.000 2.351 188 K HA 0.121 4.441 4.320 0.000 0.000 0.255 188 K C -0.239 176.318 176.600 -0.072 0.000 1.108 188 K CA 0.604 56.856 56.287 -0.059 0.000 0.813 188 K CB 0.116 32.578 32.500 -0.062 0.000 1.073 188 K HN 0.359 nan 8.250 nan 0.000 0.511 189 E N 0.023 120.174 120.200 -0.082 0.000 3.132 189 E HA 0.169 4.519 4.350 0.000 0.000 0.241 189 E C -1.200 175.315 176.600 -0.143 0.000 1.196 189 E CA -0.221 56.120 56.400 -0.098 0.000 0.869 189 E CB 1.225 30.881 29.700 -0.074 0.000 1.387 189 E HN 0.390 nan 8.360 nan 0.000 0.393 190 S N 1.384 116.980 115.700 -0.173 0.000 2.536 190 S HA -0.061 4.409 4.470 0.000 0.000 0.290 190 S C 0.564 174.981 174.600 -0.304 0.000 1.302 190 S CA 0.110 58.178 58.200 -0.219 0.000 1.037 190 S CB 0.398 63.455 63.200 -0.240 0.000 0.804 190 S HN 0.586 nan 8.310 nan 0.000 0.506 191 A N 3.325 125.975 122.820 -0.283 0.000 2.561 191 A HA 0.105 4.425 4.320 0.000 0.000 0.251 191 A C 0.410 177.678 177.584 -0.527 0.000 1.062 191 A CA 0.167 52.025 52.037 -0.297 0.000 0.761 191 A CB 0.006 18.887 19.000 -0.198 0.000 0.986 191 A HN 0.553 nan 8.150 nan 0.000 0.510 192 K N 3.286 123.414 120.400 -0.453 0.000 2.265 192 K HA 0.303 4.623 4.320 0.000 0.000 0.242 192 K C -0.511 175.995 176.600 -0.157 0.000 1.137 192 K CA 0.171 56.124 56.287 -0.556 0.000 1.082 192 K CB 0.138 32.421 32.500 -0.361 0.000 1.731 192 K HN 0.591 nan 8.250 nan 0.000 0.392 193 T N 0.192 114.708 114.554 -0.063 0.000 2.916 193 T HA 0.245 4.595 4.350 0.000 0.000 0.305 193 T C -0.808 174.043 174.700 0.252 0.000 1.119 193 T CA -0.484 61.677 62.100 0.102 0.000 1.008 193 T CB 2.292 71.167 68.868 0.011 0.000 1.129 193 T HN 0.039 nan 8.240 nan 0.000 0.480 194 V N 4.130 124.140 119.914 0.159 0.000 2.339 194 V HA 0.311 4.431 4.120 0.000 0.000 0.261 194 V C 0.833 176.964 176.094 0.061 0.000 1.058 194 V CA -0.571 61.793 62.300 0.107 0.000 0.897 194 V CB 0.554 32.399 31.823 0.037 0.000 1.052 194 V HN 1.062 nan 8.190 nan 0.000 0.480 195 S N 6.138 121.879 115.700 0.068 0.000 2.566 195 S HA 0.168 4.638 4.470 0.000 0.000 0.280 195 S C -1.479 173.127 174.600 0.011 0.000 1.343 195 S CA -0.625 57.597 58.200 0.037 0.000 1.036 195 S CB 0.755 63.981 63.200 0.043 0.000 0.866 195 S HN 0.503 nan 8.310 nan 0.000 0.526 196 P HA -0.206 nan 4.420 nan 0.000 0.215 196 P C 1.931 179.224 177.300 -0.012 0.000 1.157 196 P CA 1.495 64.592 63.100 -0.005 0.000 0.874 196 P CB -0.110 31.589 31.700 -0.003 0.000 0.790 197 Q N -0.466 119.329 119.800 -0.007 0.000 2.124 197 Q HA -0.161 4.179 4.340 0.000 0.000 0.202 197 Q C 2.053 178.036 176.000 -0.029 0.000 0.977 197 Q CA 1.415 57.211 55.803 -0.013 0.000 0.850 197 Q CB -1.533 27.203 28.738 -0.003 0.000 0.901 197 Q HN 0.229 nan 8.270 nan 0.000 0.429 198 L N 1.508 122.713 121.223 -0.030 0.000 2.109 198 L HA -0.057 4.283 4.340 0.000 0.000 0.207 198 L C 2.492 179.303 176.870 -0.099 0.000 1.086 198 L CA 1.948 56.748 54.840 -0.067 0.000 0.760 198 L CB -0.644 41.386 42.059 -0.050 0.000 0.910 198 L HN 0.198 nan 8.230 nan 0.000 0.437 199 K N -0.527 119.833 120.400 -0.066 0.000 2.148 199 K HA -0.239 4.081 4.320 0.000 0.000 0.204 199 K C 1.985 178.543 176.600 -0.069 0.000 1.050 199 K CA 1.628 57.873 56.287 -0.069 0.000 0.942 199 K CB 0.026 32.502 32.500 -0.041 0.000 0.724 199 K HN 0.610 nan 8.250 nan 0.000 0.446 200 Q N 0.260 120.026 119.800 -0.056 0.000 2.354 200 Q HA -0.012 4.328 4.340 0.000 0.000 0.203 200 Q C 1.164 177.130 176.000 -0.057 0.000 0.933 200 Q CA 1.165 56.940 55.803 -0.047 0.000 0.901 200 Q CB 0.294 29.013 28.738 -0.031 0.000 1.007 200 Q HN 0.332 nan 8.270 nan 0.000 0.495 201 E N 0.281 120.435 120.200 -0.076 0.000 2.158 201 E HA 0.055 4.405 4.350 0.000 0.000 0.191 201 E C -0.123 176.407 176.600 -0.117 0.000 0.982 201 E CA 0.321 56.671 56.400 -0.084 0.000 0.823 201 E CB 0.144 29.788 29.700 -0.093 0.000 0.766 201 E HN 0.365 nan 8.360 nan 0.000 0.468 202 L N 1.864 122.989 121.223 -0.163 0.000 2.384 202 L HA 0.116 4.456 4.340 0.000 0.000 0.258 202 L C 1.063 177.876 176.870 -0.096 0.000 1.266 202 L CA -0.040 54.691 54.840 -0.182 0.000 1.162 202 L CB 0.188 42.097 42.059 -0.250 0.000 1.375 202 L HN -0.045 nan 8.230 nan 0.000 0.420 203 K N 0.041 120.404 120.400 -0.061 0.000 2.116 203 K HA 0.009 4.329 4.320 0.000 0.000 0.203 203 K C 0.803 177.387 176.600 -0.025 0.000 1.052 203 K CA 0.899 57.165 56.287 -0.036 0.000 0.952 203 K CB 0.210 32.697 32.500 -0.021 0.000 0.729 203 K HN 0.518 nan 8.250 nan 0.000 0.446 204 T N -0.658 113.886 114.554 -0.016 0.000 2.819 204 T HA 0.374 4.724 4.350 0.000 0.000 0.271 204 T C 0.039 174.736 174.700 -0.006 0.000 0.986 204 T CA -0.782 61.314 62.100 -0.005 0.000 0.989 204 T CB 1.620 70.495 68.868 0.011 0.000 1.396 204 T HN 0.223 nan 8.240 nan 0.000 0.597 205 T N -1.792 112.763 114.554 0.002 0.000 2.821 205 T HA 0.706 5.056 4.350 0.000 0.000 0.306 205 T C -0.959 173.748 174.700 0.011 0.000 1.313 205 T CA -0.812 61.288 62.100 0.000 0.000 1.012 205 T CB 1.134 69.989 68.868 -0.021 0.000 1.298 205 T HN 0.939 nan 8.240 nan 0.000 0.502 206 V N -1.496 118.425 119.914 0.013 0.000 3.102 206 V HA 0.989 5.109 4.120 0.000 0.000 0.312 206 V C -0.237 175.854 176.094 -0.005 0.000 1.135 206 V CA -0.554 61.757 62.300 0.019 0.000 1.022 206 V CB 1.565 33.420 31.823 0.054 0.000 1.056 206 V HN 1.465 nan 8.190 nan 0.000 0.436 207 T N -0.834 113.720 114.554 -0.001 0.000 2.809 207 T HA 0.583 4.933 4.350 0.000 0.000 0.284 207 T C -2.154 172.544 174.700 -0.004 0.000 0.992 207 T CA -1.877 60.210 62.100 -0.021 0.000 0.957 207 T CB 1.695 70.552 68.868 -0.018 0.000 0.942 207 T HN 0.520 nan 8.240 nan 0.000 0.439 208 P HA -0.065 nan 4.420 nan 0.000 0.217 208 P C 1.517 178.831 177.300 0.024 0.000 1.148 208 P CA 1.009 64.114 63.100 0.008 0.000 0.828 208 P CB 0.073 31.732 31.700 -0.067 0.000 0.783 209 T N -1.356 113.199 114.554 0.002 0.000 2.985 209 T HA -0.053 4.297 4.350 0.000 0.000 0.266 209 T C 0.851 175.560 174.700 0.015 0.000 1.076 209 T CA 0.418 62.523 62.100 0.008 0.000 1.135 209 T CB -0.433 68.432 68.868 -0.005 0.000 0.890 209 T HN 0.070 nan 8.240 nan 0.000 0.480 210 K N 2.158 122.566 120.400 0.013 0.000 2.436 210 K HA 0.225 4.545 4.320 0.000 0.000 0.282 210 K C -0.698 175.913 176.600 0.018 0.000 1.044 210 K CA -0.171 56.124 56.287 0.014 0.000 1.028 210 K CB 0.293 32.800 32.500 0.012 0.000 0.919 210 K HN -0.011 nan 8.250 nan 0.000 0.474 224 Y N 2.264 122.560 120.300 -0.006 0.000 2.409 224 Y HA 0.682 5.232 4.550 0.000 0.000 0.343 224 Y C -1.270 174.635 175.900 0.007 0.000 0.973 224 Y CA -0.744 57.362 58.100 0.010 0.000 1.064 224 Y CB 1.804 40.286 38.460 0.036 0.000 1.207 224 Y HN 0.145 nan 8.280 nan 0.000 0.452 225 E N 4.882 124.638 120.200 -0.741 0.000 2.321 225 E HA 0.262 4.612 4.350 0.000 0.000 0.278 225 E C -2.241 173.925 176.600 -0.723 0.000 0.902 225 E CA -0.530 55.528 56.400 -0.570 0.000 0.758 225 E CB 1.813 31.352 29.700 -0.267 0.000 1.213 225 E HN 0.768 nan 8.360 nan 0.000 0.426 226 N N 2.483 120.867 118.700 -0.527 0.000 2.571 226 N HA 0.299 5.039 4.740 0.000 0.000 0.286 226 N C -1.682 173.711 175.510 -0.194 0.000 1.138 226 N CA -0.136 52.706 53.050 -0.348 0.000 0.859 226 N CB 1.382 39.682 38.487 -0.312 0.000 1.414 226 N HN 0.522 nan 8.380 nan 0.000 0.529 227 T N -0.153 114.317 114.554 -0.141 0.000 2.887 227 T HA 0.496 4.846 4.350 0.000 0.000 0.292 227 T C -0.104 174.561 174.700 -0.059 0.000 1.087 227 T CA -0.901 61.136 62.100 -0.105 0.000 1.009 227 T CB 0.720 69.526 68.868 -0.104 0.000 1.203 227 T HN 0.240 nan 8.240 nan 0.000 0.518 228 L N 2.895 124.095 121.223 -0.039 0.000 2.485 228 L HA 0.184 4.524 4.340 0.000 0.000 0.279 228 L C 1.584 178.487 176.870 0.056 0.000 1.124 228 L CA -0.788 54.065 54.840 0.021 0.000 0.888 228 L CB 0.346 42.449 42.059 0.073 0.000 1.217 228 L HN 0.685 nan 8.230 nan 0.000 0.464 229 K N 1.798 122.216 120.400 0.029 0.000 2.127 229 K HA -0.190 4.130 4.320 0.000 0.000 0.208 229 K C 1.099 177.724 176.600 0.042 0.000 1.047 229 K CA 1.498 57.800 56.287 0.025 0.000 0.927 229 K CB -0.088 32.419 32.500 0.011 0.000 0.716 229 K HN 0.586 nan 8.250 nan 0.000 0.450 230 N N -0.314 118.418 118.700 0.054 0.000 2.280 230 N HA -0.005 4.735 4.740 0.000 0.000 0.192 230 N C -0.051 175.479 175.510 0.034 0.000 1.109 230 N CA -0.206 52.863 53.050 0.032 0.000 0.855 230 N CB 0.170 38.666 38.487 0.014 0.000 0.974 230 N HN 0.029 nan 8.380 nan 0.000 0.482 231 F N 2.505 122.426 119.950 -0.049 0.000 2.563 231 F HA 0.068 4.595 4.527 0.000 0.000 0.363 231 F C 0.505 176.244 175.800 -0.101 0.000 1.123 231 F CA 0.492 58.449 58.000 -0.072 0.000 1.307 231 F CB 0.501 39.462 39.000 -0.066 0.000 1.115 231 F HN -0.235 nan 8.300 nan 0.000 0.592 232 K N 6.675 126.658 120.400 -0.694 0.000 2.557 232 K HA 0.370 4.690 4.320 0.000 0.000 0.257 232 K C -1.538 174.662 176.600 -0.667 0.000 0.933 232 K CA -0.691 55.346 56.287 -0.417 0.000 0.820 232 K CB 1.227 33.589 32.500 -0.229 0.000 1.330 232 K HN 0.632 nan 8.250 nan 0.000 0.432 233 I N 4.903 125.184 120.570 -0.481 0.000 2.436 233 I HA 0.172 4.342 4.170 0.000 0.000 0.289 233 I C 1.136 177.081 176.117 -0.287 0.000 1.083 233 I CA 0.059 61.010 61.300 -0.583 0.000 1.372 233 I CB 0.748 38.477 38.000 -0.452 0.000 1.408 233 I HN 0.572 nan 8.210 nan 0.000 0.516 234 R N 4.578 124.938 120.500 -0.234 0.000 2.394 234 R HA 0.173 4.513 4.340 0.000 0.000 0.220 234 R C -0.312 176.035 176.300 0.077 0.000 0.887 234 R CA 0.109 56.171 56.100 -0.064 0.000 1.034 234 R CB 0.688 30.944 30.300 -0.073 0.000 1.179 234 R HN 0.708 nan 8.270 nan 0.000 0.561 235 E N 0.484 120.794 120.200 0.182 0.000 2.390 235 E HA 0.256 4.606 4.350 0.000 0.000 0.277 235 E C -1.467 175.465 176.600 0.554 0.000 0.939 235 E CA -0.954 55.681 56.400 0.392 0.000 0.769 235 E CB 1.821 31.806 29.700 0.474 0.000 1.251 235 E HN -0.150 nan 8.360 nan 0.000 0.450 236 Q N 1.537 121.605 119.800 0.447 0.000 2.356 236 Q HA 0.190 4.530 4.340 0.000 0.000 0.270 236 Q C -1.299 174.526 176.000 -0.291 0.000 1.058 236 Q CA -0.799 55.145 55.803 0.236 0.000 0.802 236 Q CB 2.276 31.248 28.738 0.390 0.000 1.303 236 Q HN 0.621 nan 8.270 nan 0.000 0.444 237 Q N 3.641 122.972 119.800 -0.781 0.000 2.314 237 Q HA 0.245 4.585 4.340 0.000 0.000 0.257 237 Q C -0.958 174.922 176.000 -0.201 0.000 0.975 237 Q CA -0.091 55.155 55.803 -0.929 0.000 0.933 237 Q CB 0.313 28.448 28.738 -1.005 0.000 1.195 237 Q HN 0.747 nan 8.270 nan 0.000 0.426 238 F N 1.658 121.556 119.950 -0.087 0.000 2.975 238 F HA 0.358 4.885 4.527 -0.000 0.000 0.366 238 F C -0.450 175.285 175.800 -0.108 0.000 1.071 238 F CA -0.597 57.354 58.000 -0.082 0.000 1.102 238 F CB 0.402 39.367 39.000 -0.058 0.000 1.176 238 F HN 0.471 nan 8.300 nan 0.000 0.545 239 D N 0.136 120.444 120.400 -0.153 0.000 2.914 239 D HA 0.256 4.896 4.640 0.000 0.000 0.349 239 D C -0.746 175.383 176.300 -0.285 0.000 1.540 239 D CA -0.108 53.837 54.000 -0.092 0.000 0.778 239 D CB -0.712 40.131 40.800 0.072 0.000 1.213 239 D HN 0.497 nan 8.370 nan 0.000 0.451 240 N N -1.723 116.763 118.700 -0.358 0.000 3.116 240 N HA 0.310 5.050 4.740 0.000 0.000 0.244 240 N C -0.684 174.622 175.510 -0.341 0.000 1.485 240 N CA -0.617 52.090 53.050 -0.572 0.000 0.884 240 N CB 0.721 38.392 38.487 -1.359 0.000 1.415 240 N HN -0.135 nan 8.380 nan 0.000 0.524 241 S N -1.986 113.533 115.700 -0.303 0.000 2.537 241 S HA 0.203 4.673 4.470 0.000 0.000 0.246 241 S C -0.708 174.004 174.600 0.187 0.000 1.036 241 S CA -0.724 57.471 58.200 -0.007 0.000 1.041 241 S CB -0.608 62.610 63.200 0.031 0.000 0.799 241 S HN 0.565 nan 8.310 nan 0.000 0.456 242 W N 2.204 123.592 121.300 0.146 0.000 3.066 242 W HA 0.268 4.928 4.660 -0.000 0.000 0.442 242 W C 1.759 178.410 176.519 0.220 0.000 0.820 242 W CA -2.130 55.303 57.345 0.148 0.000 2.047 242 W CB -1.983 27.560 29.460 0.139 0.000 0.980 242 W HN 0.603 nan 8.180 nan 0.000 0.825 243 C N -0.596 118.857 119.300 0.256 0.000 2.413 243 C HA -0.077 4.383 4.460 0.000 0.000 0.276 243 C C 2.741 177.721 174.990 -0.016 0.000 1.248 243 C CA 1.466 60.499 59.018 0.025 0.000 1.742 243 C CB -1.283 26.349 27.740 -0.179 0.000 2.017 243 C HN 0.376 nan 8.230 nan 0.000 0.481 244 A N 1.720 124.531 122.820 -0.015 0.000 1.898 244 A HA 0.217 4.537 4.320 0.000 0.000 0.216 244 A C 2.554 180.126 177.584 -0.020 0.000 1.181 244 A CA 2.134 54.141 52.037 -0.051 0.000 0.620 244 A CB -1.605 17.354 19.000 -0.068 0.000 0.819 244 A HN 0.742 nan 8.150 nan 0.000 0.442 245 G N -1.317 107.477 108.800 -0.010 0.000 2.418 245 G HA2 -0.185 3.775 3.960 0.000 0.000 0.217 245 G HA3 -0.185 3.775 3.960 0.000 0.000 0.217 245 G C 1.376 176.248 174.900 -0.048 0.000 1.158 245 G CA 1.083 46.111 45.100 -0.119 0.000 0.771 245 G HN 0.410 nan 8.290 nan 0.000 0.545 246 F N 1.703 121.696 119.950 0.071 0.000 2.171 246 F HA -0.057 4.470 4.527 -0.000 0.000 0.300 246 F C 3.111 179.049 175.800 0.230 0.000 1.090 246 F CA 1.558 59.657 58.000 0.165 0.000 1.293 246 F CB -0.125 38.943 39.000 0.113 0.000 1.013 246 F HN 0.089 nan 8.300 nan 0.000 0.486 247 S N -0.130 115.724 115.700 0.258 0.000 2.355 247 S HA -0.183 4.287 4.470 0.000 0.000 0.222 247 S C 2.076 176.790 174.600 0.190 0.000 1.031 247 S CA 1.261 59.599 58.200 0.230 0.000 0.993 247 S CB -0.332 62.876 63.200 0.014 0.000 0.859 247 S HN 0.297 nan 8.310 nan 0.000 0.453 248 M N 1.127 120.771 119.600 0.074 0.000 2.175 248 M HA -0.072 4.408 4.480 0.000 0.000 0.264 248 M C 2.541 178.831 176.300 -0.018 0.000 1.063 248 M CA 1.322 56.632 55.300 0.016 0.000 1.119 248 M CB -0.644 31.939 32.600 -0.029 0.000 1.377 248 M HN 0.405 nan 8.290 nan 0.000 0.415 249 A N 0.573 123.395 122.820 0.005 0.000 1.883 249 A HA -0.090 4.230 4.320 0.000 0.000 0.217 249 A C 2.362 179.949 177.584 0.004 0.000 1.186 249 A CA 2.067 54.111 52.037 0.012 0.000 0.624 249 A CB -0.915 18.099 19.000 0.024 0.000 0.822 249 A HN 0.501 nan 8.150 nan 0.000 0.444 250 A N -0.578 122.271 122.820 0.049 0.000 1.930 250 A HA 0.054 4.374 4.320 0.000 0.000 0.217 250 A C 2.176 179.708 177.584 -0.087 0.000 1.175 250 A CA 1.360 53.313 52.037 -0.140 0.000 0.627 250 A CB -0.504 18.385 19.000 -0.186 0.000 0.815 250 A HN 0.465 nan 8.150 nan 0.000 0.443 251 L N -0.788 120.495 121.223 0.101 0.000 2.027 251 L HA -0.129 4.211 4.340 0.000 0.000 0.206 251 L C 2.548 179.411 176.870 -0.011 0.000 1.074 251 L CA 0.962 55.874 54.840 0.121 0.000 0.745 251 L CB -0.509 41.617 42.059 0.112 0.000 0.898 251 L HN 0.356 nan 8.230 nan 0.000 0.433 252 L N -0.307 120.839 121.223 -0.128 0.000 2.046 252 L HA -0.207 4.133 4.340 0.000 0.000 0.208 252 L C 2.323 179.107 176.870 -0.142 0.000 1.077 252 L CA 0.969 55.639 54.840 -0.285 0.000 0.747 252 L CB -0.588 40.991 42.059 -0.799 0.000 0.896 252 L HN 0.352 nan 8.230 nan 0.000 0.432 253 N N 0.008 118.677 118.700 -0.052 0.000 2.289 253 N HA -0.123 4.617 4.740 0.000 0.000 0.184 253 N C 1.759 177.264 175.510 -0.009 0.000 1.016 253 N CA 1.400 54.482 53.050 0.053 0.000 0.872 253 N CB -0.059 38.432 38.487 0.006 0.000 0.973 253 N HN 0.338 nan 8.380 nan 0.000 0.433 254 A N 0.265 123.063 122.820 -0.037 0.000 1.878 254 A HA -0.060 4.260 4.320 0.000 0.000 0.213 254 A C 2.243 179.843 177.584 0.027 0.000 1.192 254 A CA 1.807 53.846 52.037 0.004 0.000 0.619 254 A CB -0.914 18.145 19.000 0.098 0.000 0.837 254 A HN 0.435 nan 8.150 nan 0.000 0.446 255 T N -2.747 111.818 114.554 0.018 0.000 3.085 255 T HA 0.089 4.439 4.350 0.000 0.000 0.263 255 T C 1.116 175.824 174.700 0.013 0.000 1.127 255 T CA 1.093 63.200 62.100 0.010 0.000 1.103 255 T CB -0.085 68.779 68.868 -0.008 0.000 0.921 255 T HN 0.401 nan 8.240 nan 0.000 0.510 256 K N 1.298 121.715 120.400 0.027 0.000 2.413 256 K HA 0.213 4.533 4.320 0.000 0.000 0.204 256 K C 0.284 176.915 176.600 0.052 0.000 1.041 256 K CA -0.230 56.089 56.287 0.052 0.000 1.082 256 K CB 0.019 32.583 32.500 0.107 0.000 0.871 256 K HN 0.508 nan 8.250 nan 0.000 0.535 257 N N 2.052 120.773 118.700 0.035 0.000 2.686 257 N HA -0.203 4.537 4.740 0.000 0.000 0.261 257 N C -0.926 174.601 175.510 0.027 0.000 1.001 257 N CA 0.822 53.886 53.050 0.023 0.000 0.764 257 N CB -0.246 38.250 38.487 0.016 0.000 0.898 257 N HN 0.250 nan 8.380 nan 0.000 0.544 258 T N -0.556 114.025 114.554 0.045 0.000 2.778 258 T HA 0.422 4.772 4.350 0.000 0.000 0.293 258 T C -0.694 174.027 174.700 0.034 0.000 1.144 258 T CA 0.139 62.263 62.100 0.040 0.000 1.010 258 T CB 1.305 70.211 68.868 0.064 0.000 1.325 258 T HN 0.336 nan 8.240 nan 0.000 0.515 259 D N -0.848 119.556 120.400 0.008 0.000 2.582 259 D HA 0.121 4.761 4.640 0.000 0.000 0.246 259 D C 1.287 177.576 176.300 -0.018 0.000 1.334 259 D CA 0.357 54.355 54.000 -0.003 0.000 0.805 259 D CB -0.295 40.491 40.800 -0.024 0.000 1.087 259 D HN 0.530 nan 8.370 nan 0.000 0.499 260 T N -3.234 111.281 114.554 -0.066 0.000 3.088 260 T HA 0.077 4.427 4.350 0.000 0.000 0.259 260 T C 0.357 174.942 174.700 -0.191 0.000 1.122 260 T CA 0.177 62.180 62.100 -0.162 0.000 1.095 260 T CB -0.571 68.134 68.868 -0.272 0.000 0.930 260 T HN 0.034 nan 8.240 nan 0.000 0.508 261 Y N 3.483 123.774 120.300 -0.016 0.000 2.299 261 Y HA 0.495 5.045 4.550 -0.000 0.000 0.326 261 Y C 0.586 176.460 175.900 -0.044 0.000 1.164 261 Y CA -0.980 57.113 58.100 -0.012 0.000 1.234 261 Y CB 0.756 39.222 38.460 0.010 0.000 1.219 261 Y HN 0.487 nan 8.280 nan 0.000 0.497 262 N N -0.627 118.124 118.700 0.086 0.000 2.591 262 N HA 0.554 5.295 4.740 0.000 0.000 0.263 262 N C -0.228 175.182 175.510 -0.167 0.000 1.308 262 N CA -0.502 52.528 53.050 -0.034 0.000 0.837 262 N CB 1.094 39.569 38.487 -0.019 0.000 1.548 262 N HN 0.493 nan 8.380 nan 0.000 0.493 263 A N -0.192 122.399 122.820 -0.381 0.000 1.908 263 A HA -0.287 4.033 4.320 0.000 0.000 0.218 263 A C 1.866 179.092 177.584 -0.598 0.000 1.181 263 A CA 1.838 53.531 52.037 -0.574 0.000 0.627 263 A CB -1.398 16.881 19.000 -1.202 0.000 0.818 263 A HN 0.892 nan 8.150 nan 0.000 0.445 264 H N 0.354 119.129 119.070 -0.492 0.000 2.290 264 H HA -0.151 4.405 4.556 -0.000 0.000 0.298 264 H C 1.362 176.417 175.328 -0.456 0.000 1.087 264 H CA 2.056 57.756 56.048 -0.580 0.000 1.291 264 H CB -0.281 29.391 29.762 -0.151 0.000 1.369 264 H HN 0.402 nan 8.280 nan 0.000 0.492 265 D N 0.649 120.971 120.400 -0.130 0.000 2.144 265 D HA -0.114 4.526 4.640 0.000 0.000 0.199 265 D C 2.573 178.723 176.300 -0.251 0.000 0.984 265 D CA 0.942 54.875 54.000 -0.111 0.000 0.834 265 D CB -0.252 40.552 40.800 0.005 0.000 0.955 265 D HN 0.480 nan 8.370 nan 0.000 0.465 266 I N 0.427 120.793 120.570 -0.340 0.000 2.202 266 I HA -0.237 3.933 4.170 0.000 0.000 0.242 266 I C 2.267 178.056 176.117 -0.547 0.000 1.091 266 I CA 0.755 61.752 61.300 -0.504 0.000 1.368 266 I CB -0.175 37.449 38.000 -0.627 0.000 1.058 266 I HN -0.031 nan 8.210 nan 0.000 0.410 267 M N 0.132 119.341 119.600 -0.653 0.000 2.159 267 M HA -0.192 4.288 4.480 0.000 0.000 0.263 267 M C 2.357 178.405 176.300 -0.420 0.000 1.063 267 M CA 1.565 56.497 55.300 -0.613 0.000 1.110 267 M CB -1.440 30.507 32.600 -1.088 0.000 1.374 267 M HN 0.150 nan 8.290 nan 0.000 0.411 268 R N 0.533 120.734 120.500 -0.498 0.000 2.096 268 R HA -0.066 4.274 4.340 0.000 0.000 0.235 268 R C 1.865 178.059 176.300 -0.177 0.000 1.127 268 R CA 2.030 57.942 56.100 -0.314 0.000 0.968 268 R CB -1.190 28.915 30.300 -0.324 0.000 0.861 268 R HN 0.317 nan 8.270 nan 0.000 0.440 269 T N 0.802 115.246 114.554 -0.185 0.000 2.867 269 T HA 0.006 4.356 4.350 0.000 0.000 0.268 269 T C 1.555 176.167 174.700 -0.147 0.000 1.057 269 T CA 1.355 63.397 62.100 -0.095 0.000 1.136 269 T CB -0.053 68.826 68.868 0.019 0.000 0.874 269 T HN 0.166 nan 8.240 nan 0.000 0.466 270 L N -1.017 120.030 121.223 -0.293 0.000 2.270 270 L HA 0.121 4.461 4.340 0.000 0.000 0.210 270 L C 0.061 176.526 176.870 -0.676 0.000 1.104 270 L CA 0.803 55.342 54.840 -0.502 0.000 0.804 270 L CB 0.043 41.669 42.059 -0.722 0.000 0.937 270 L HN 0.255 nan 8.230 nan 0.000 0.450 271 Y N -0.527 119.720 120.300 -0.089 0.000 2.584 271 Y HA 0.269 4.819 4.550 0.000 0.000 0.358 271 Y C -1.699 174.168 175.900 -0.056 0.000 1.028 271 Y CA -2.512 55.555 58.100 -0.054 0.000 1.148 271 Y CB 0.126 38.554 38.460 -0.053 0.000 1.126 271 Y HN -0.087 nan 8.280 nan 0.000 0.658 272 P HA -0.098 nan 4.420 nan 0.000 0.230 272 P C 0.248 177.579 177.300 0.051 0.000 1.158 272 P CA 1.266 64.385 63.100 0.031 0.000 0.769 272 P CB 0.556 32.263 31.700 0.011 0.000 0.807 273 E N -0.686 119.561 120.200 0.078 0.000 2.481 273 E HA 0.134 4.484 4.350 0.000 0.000 0.198 273 E C 0.057 176.696 176.600 0.065 0.000 1.027 273 E CA -0.214 56.226 56.400 0.066 0.000 0.900 273 E CB 0.598 30.337 29.700 0.065 0.000 0.993 273 E HN 0.065 nan 8.360 nan 0.000 0.482 274 V N 2.205 122.165 119.914 0.076 0.000 2.567 274 V HA 0.096 4.216 4.120 0.000 0.000 0.289 274 V C 0.544 176.669 176.094 0.052 0.000 1.049 274 V CA -0.760 61.569 62.300 0.048 0.000 0.969 274 V CB 1.561 33.394 31.823 0.017 0.000 0.995 274 V HN 0.204 nan 8.190 nan 0.000 0.471 275 S N 3.210 118.939 115.700 0.048 0.000 2.584 275 S HA 0.147 4.617 4.470 0.000 0.000 0.270 275 S C 0.832 175.483 174.600 0.085 0.000 1.346 275 S CA -0.414 57.821 58.200 0.059 0.000 1.018 275 S CB 0.713 63.942 63.200 0.049 0.000 0.899 275 S HN 0.698 nan 8.310 nan 0.000 0.542 276 E N 0.385 120.648 120.200 0.104 0.000 2.401 276 E HA -0.158 4.192 4.350 0.000 0.000 0.199 276 E C 1.595 178.283 176.600 0.146 0.000 1.023 276 E CA 0.869 57.362 56.400 0.154 0.000 0.859 276 E CB -0.125 29.668 29.700 0.155 0.000 0.780 276 E HN 0.859 nan 8.360 nan 0.000 0.523 277 Q N -0.216 119.643 119.800 0.099 0.000 2.396 277 Q HA -0.033 4.307 4.340 0.000 0.000 0.209 277 Q C 0.758 176.798 176.000 0.067 0.000 0.906 277 Q CA 0.352 56.201 55.803 0.078 0.000 0.927 277 Q CB 0.594 29.363 28.738 0.053 0.000 1.069 277 Q HN 0.062 nan 8.270 nan 0.000 0.523 278 D N 0.062 120.502 120.400 0.067 0.000 2.369 278 D HA -0.014 4.626 4.640 0.000 0.000 0.211 278 D C 1.465 177.808 176.300 0.071 0.000 1.077 278 D CA 0.013 54.041 54.000 0.046 0.000 0.842 278 D CB 0.717 41.528 40.800 0.018 0.000 0.947 278 D HN 0.206 nan 8.370 nan 0.000 0.509 279 L N 1.640 122.950 121.223 0.145 0.000 2.056 279 L HA -0.012 4.328 4.340 0.000 0.000 0.207 279 L C -0.990 176.183 176.870 0.505 0.000 1.078 279 L CA 1.895 56.889 54.840 0.255 0.000 0.749 279 L CB -1.101 41.129 42.059 0.286 0.000 0.901 279 L HN -0.100 nan 8.230 nan 0.000 0.433 280 P HA -0.094 nan 4.420 nan 0.000 0.221 280 P C 0.804 178.066 177.300 -0.063 0.000 1.145 280 P CA 1.230 64.276 63.100 -0.089 0.000 0.795 280 P CB -0.067 31.505 31.700 -0.213 0.000 0.775 281 N N -1.885 116.844 118.700 0.048 0.000 2.405 281 N HA -0.007 4.733 4.740 0.000 0.000 0.175 281 N C 0.240 175.773 175.510 0.039 0.000 1.051 281 N CA 0.255 53.315 53.050 0.017 0.000 0.899 281 N CB -0.462 38.026 38.487 0.002 0.000 1.000 281 N HN 0.135 nan 8.380 nan 0.000 0.451 282 C N 2.113 121.440 119.300 0.046 0.000 2.653 282 C HA 0.497 4.957 4.460 0.000 0.000 0.421 282 C C 1.142 176.163 174.990 0.052 0.000 1.334 282 C CA -0.851 58.113 59.018 -0.091 0.000 1.885 282 C CB -0.419 27.040 27.740 -0.469 0.000 2.645 282 C HN 0.329 nan 8.230 nan 0.000 0.601 283 A N 3.721 126.531 122.820 -0.017 0.000 2.269 283 A HA 0.791 5.111 4.320 0.000 0.000 0.327 283 A C 0.130 177.573 177.584 -0.235 0.000 1.112 283 A CA -0.263 51.710 52.037 -0.107 0.000 0.865 283 A CB 0.544 19.408 19.000 -0.227 0.000 1.227 283 A HN 0.809 nan 8.150 nan 0.000 0.498 284 T N 0.345 114.665 114.554 -0.391 0.000 2.925 284 T HA 0.704 5.054 4.350 0.000 0.000 0.285 284 T C -1.180 173.098 174.700 -0.704 0.000 1.021 284 T CA 0.149 62.041 62.100 -0.347 0.000 1.042 284 T CB 0.537 69.310 68.868 -0.158 0.000 1.037 284 T HN 0.334 nan 8.240 nan 0.000 0.481 285 F N 0.639 120.644 119.950 0.092 0.000 2.588 285 F HA 0.417 4.944 4.527 -0.000 0.000 0.310 285 F C -1.888 173.947 175.800 0.058 0.000 1.082 285 F CA -2.332 55.720 58.000 0.086 0.000 0.929 285 F CB 1.535 40.593 39.000 0.096 0.000 1.254 285 F HN 0.324 nan 8.300 nan 0.000 0.455 286 P HA -0.305 nan 4.420 nan 0.000 0.221 286 P C 1.164 178.540 177.300 0.128 0.000 1.160 286 P CA 2.696 65.891 63.100 0.159 0.000 0.933 286 P CB -0.043 31.723 31.700 0.111 0.000 0.793 287 N N -0.798 117.975 118.700 0.122 0.000 2.094 287 N HA -0.242 4.498 4.740 0.000 0.000 0.191 287 N C 1.678 177.240 175.510 0.086 0.000 1.023 287 N CA 1.747 54.848 53.050 0.085 0.000 0.857 287 N CB -1.248 37.278 38.487 0.065 0.000 1.013 287 N HN 0.291 nan 8.380 nan 0.000 0.426 288 Q N -0.439 119.424 119.800 0.105 0.000 2.079 288 Q HA -0.004 4.336 4.340 0.000 0.000 0.200 288 Q C 2.206 178.251 176.000 0.074 0.000 0.974 288 Q CA 1.571 57.411 55.803 0.061 0.000 0.840 288 Q CB -0.172 28.581 28.738 0.024 0.000 0.898 288 Q HN 0.514 nan 8.270 nan 0.000 0.430 289 M N 0.210 119.858 119.600 0.079 0.000 2.065 289 M HA -0.208 4.272 4.480 0.000 0.000 0.259 289 M C 2.197 178.575 176.300 0.130 0.000 1.069 289 M CA 1.588 56.944 55.300 0.094 0.000 1.110 289 M CB -0.395 32.253 32.600 0.079 0.000 1.328 289 M HN 0.204 nan 8.290 nan 0.000 0.405 290 I N -0.127 120.508 120.570 0.109 0.000 2.163 290 I HA -0.317 3.853 4.170 0.000 0.000 0.243 290 I C 2.562 178.726 176.117 0.079 0.000 1.085 290 I CA 1.618 62.977 61.300 0.098 0.000 1.347 290 I CB -0.563 37.485 38.000 0.080 0.000 1.044 290 I HN 0.422 nan 8.210 nan 0.000 0.408 291 E N 0.330 120.574 120.200 0.074 0.000 2.085 291 E HA -0.298 4.052 4.350 0.000 0.000 0.194 291 E C 2.259 178.895 176.600 0.059 0.000 0.994 291 E CA 1.474 57.906 56.400 0.053 0.000 0.801 291 E CB -0.175 29.552 29.700 0.045 0.000 0.743 291 E HN 0.504 nan 8.360 nan 0.000 0.453 292 Y N 0.422 120.710 120.300 -0.019 0.000 2.163 292 Y HA -0.047 4.503 4.550 -0.000 0.000 0.288 292 Y C 2.159 178.052 175.900 -0.012 0.000 1.136 292 Y CA 1.986 60.070 58.100 -0.027 0.000 1.147 292 Y CB -0.740 37.691 38.460 -0.049 0.000 0.987 292 Y HN 0.083 nan 8.280 nan 0.000 0.509 293 G N 0.232 109.035 108.800 0.006 0.000 2.442 293 G HA2 -0.353 3.607 3.960 0.000 0.000 0.219 293 G HA3 -0.353 3.607 3.960 0.000 0.000 0.219 293 G C 1.735 176.571 174.900 -0.107 0.000 1.141 293 G CA 1.073 46.132 45.100 -0.067 0.000 0.763 293 G HN 0.426 nan 8.290 nan 0.000 0.554 294 K N 0.967 121.333 120.400 -0.057 0.000 2.032 294 K HA -0.167 4.153 4.320 0.000 0.000 0.209 294 K C 2.788 179.335 176.600 -0.089 0.000 1.048 294 K CA 1.864 58.126 56.287 -0.042 0.000 0.927 294 K CB -0.286 32.205 32.500 -0.014 0.000 0.712 294 K HN 0.431 nan 8.250 nan 0.000 0.441 295 S N -0.011 115.597 115.700 -0.153 0.000 2.507 295 S HA -0.079 4.391 4.470 0.000 0.000 0.235 295 S C 1.239 175.725 174.600 -0.190 0.000 0.988 295 S CA 0.644 58.743 58.200 -0.167 0.000 0.944 295 S CB 0.071 63.150 63.200 -0.201 0.000 0.762 295 S HN 0.301 nan 8.310 nan 0.000 0.526 296 Q N 0.585 120.244 119.800 -0.236 0.000 2.188 296 Q HA 0.336 4.676 4.340 0.000 0.000 0.212 296 Q C 1.050 177.009 176.000 -0.069 0.000 0.846 296 Q CA 0.442 56.152 55.803 -0.155 0.000 0.989 296 Q CB 0.215 28.806 28.738 -0.244 0.000 1.114 296 Q HN 0.733 nan 8.270 nan 0.000 0.488 297 G N 1.939 110.706 108.800 -0.055 0.000 2.182 297 G HA2 -0.231 3.729 3.960 0.000 0.000 0.248 297 G HA3 -0.231 3.729 3.960 0.000 0.000 0.248 297 G C -0.177 174.720 174.900 -0.005 0.000 1.042 297 G CA -0.100 44.989 45.100 -0.019 0.000 0.775 297 G HN 0.067 nan 8.290 nan 0.000 0.501 298 R N -0.127 120.369 120.500 -0.006 0.000 2.575 298 R HA 0.382 4.722 4.340 0.000 0.000 0.293 298 R C -1.476 174.868 176.300 0.073 0.000 0.983 298 R CA -0.955 55.161 56.100 0.027 0.000 0.887 298 R CB 1.633 31.933 30.300 0.001 0.000 1.184 298 R HN 0.208 nan 8.270 nan 0.000 0.445 299 D N 3.504 123.983 120.400 0.132 0.000 2.468 299 D HA 0.158 4.798 4.640 0.000 0.000 0.218 299 D C 0.028 176.537 176.300 0.348 0.000 1.155 299 D CA -0.359 53.773 54.000 0.220 0.000 0.924 299 D CB 0.367 41.306 40.800 0.232 0.000 1.029 299 D HN 0.270 nan 8.370 nan 0.000 0.515 300 I N 3.873 124.612 120.570 0.281 0.000 2.441 300 I HA 0.174 4.344 4.170 0.000 0.000 0.287 300 I C 0.682 177.055 176.117 0.426 0.000 1.049 300 I CA -0.112 61.366 61.300 0.296 0.000 1.381 300 I CB 0.341 38.446 38.000 0.175 0.000 1.409 300 I HN 0.386 nan 8.210 nan 0.000 0.523 301 H N 4.913 124.113 119.070 0.217 0.000 2.622 301 H HA 0.262 4.818 4.556 0.000 0.000 0.363 301 H C -1.210 174.249 175.328 0.218 0.000 1.151 301 H CA -0.704 55.471 56.048 0.212 0.000 1.184 301 H CB 2.793 32.686 29.762 0.218 0.000 1.643 301 H HN 0.496 nan 8.280 nan 0.000 0.531 302 Y N 2.214 122.630 120.300 0.193 0.000 2.308 302 Y HA 0.160 4.710 4.550 0.000 0.000 0.329 302 Y C -0.484 175.513 175.900 0.162 0.000 1.111 302 Y CA -0.397 57.797 58.100 0.157 0.000 1.179 302 Y CB 0.997 39.533 38.460 0.127 0.000 1.201 302 Y HN 0.547 nan 8.280 nan 0.000 0.483 303 Q N 5.691 125.102 119.800 -0.648 0.000 2.292 303 Q HA 0.234 4.574 4.340 0.000 0.000 0.270 303 Q C -1.194 174.366 176.000 -0.733 0.000 1.024 303 Q CA -0.762 54.740 55.803 -0.501 0.000 0.768 303 Q CB 1.355 29.997 28.738 -0.160 0.000 1.250 303 Q HN 0.883 nan 8.270 nan 0.000 0.447 304 E N 2.642 122.514 120.200 -0.547 0.000 2.398 304 E HA 0.391 4.741 4.350 0.000 0.000 0.263 304 E C 0.252 176.770 176.600 -0.138 0.000 1.046 304 E CA 1.102 57.358 56.400 -0.241 0.000 0.908 304 E CB 0.455 30.155 29.700 0.000 0.000 0.963 304 E HN 0.901 nan 8.360 nan 0.000 0.431 305 G N 1.114 109.884 108.800 -0.051 0.000 2.693 305 G HA2 -0.248 3.712 3.960 0.000 0.000 0.226 305 G HA3 -0.248 3.712 3.960 0.000 0.000 0.226 305 G C -0.716 173.974 174.900 -0.351 0.000 1.354 305 G CA -0.376 44.647 45.100 -0.128 0.000 0.873 305 G HN 0.613 nan 8.290 nan 0.000 0.562 306 V N 3.470 123.094 119.914 -0.483 0.000 2.406 306 V HA 0.472 4.592 4.120 0.000 0.000 0.272 306 V C -0.922 174.840 176.094 -0.553 0.000 1.043 306 V CA -0.510 61.259 62.300 -0.884 0.000 0.915 306 V CB 1.169 32.501 31.823 -0.819 0.000 0.988 306 V HN 0.792 nan 8.190 nan 0.000 0.466 307 P HA 0.122 nan 4.420 nan 0.000 0.269 307 P C 0.002 177.179 177.300 -0.205 0.000 1.209 307 P CA -0.051 62.897 63.100 -0.253 0.000 0.776 307 P CB 0.758 32.369 31.700 -0.148 0.000 0.876 308 S N 2.104 117.738 115.700 -0.110 0.000 2.584 308 S HA -0.043 4.427 4.470 0.000 0.000 0.270 308 S C 1.208 175.819 174.600 0.019 0.000 1.346 308 S CA -0.352 57.825 58.200 -0.038 0.000 1.018 308 S CB 0.077 63.270 63.200 -0.010 0.000 0.899 308 S HN 0.538 nan 8.310 nan 0.000 0.542 309 Y N 2.440 122.711 120.300 -0.048 0.000 2.114 309 Y HA -0.261 4.289 4.550 -0.000 0.000 0.282 309 Y C 2.443 178.343 175.900 0.002 0.000 1.165 309 Y CA 2.428 60.521 58.100 -0.012 0.000 1.148 309 Y CB -0.573 37.886 38.460 -0.002 0.000 0.972 309 Y HN 0.892 nan 8.280 nan 0.000 0.504 310 N N -0.024 118.716 118.700 0.066 0.000 2.166 310 N HA -0.260 4.480 4.740 0.000 0.000 0.186 310 N C 2.029 177.492 175.510 -0.077 0.000 1.019 310 N CA 1.389 54.421 53.050 -0.030 0.000 0.856 310 N CB -0.237 38.281 38.487 0.051 0.000 0.993 310 N HN 0.655 nan 8.380 nan 0.000 0.426 311 Q N 0.613 120.382 119.800 -0.052 0.000 2.084 311 Q HA -0.091 4.249 4.340 0.000 0.000 0.202 311 Q C 2.007 177.961 176.000 -0.076 0.000 0.978 311 Q CA 1.247 57.020 55.803 -0.049 0.000 0.844 311 Q CB 0.163 28.879 28.738 -0.037 0.000 0.898 311 Q HN 0.154 nan 8.270 nan 0.000 0.426 312 V N 1.258 121.109 119.914 -0.105 0.000 2.407 312 V HA -0.252 3.868 4.120 0.000 0.000 0.248 312 V C 1.855 177.860 176.094 -0.147 0.000 1.055 312 V CA 2.157 64.391 62.300 -0.110 0.000 1.049 312 V CB -0.693 31.071 31.823 -0.098 0.000 0.662 312 V HN 0.509 nan 8.190 nan 0.000 0.455 313 D N -0.894 119.370 120.400 -0.225 0.000 2.097 313 D HA -0.195 4.445 4.640 0.000 0.000 0.195 313 D C 2.299 178.547 176.300 -0.087 0.000 0.989 313 D CA 1.245 55.132 54.000 -0.188 0.000 0.827 313 D CB 0.038 40.693 40.800 -0.241 0.000 0.966 313 D HN 0.321 nan 8.370 nan 0.000 0.456 314 Q N -0.077 119.680 119.800 -0.072 0.000 2.016 314 Q HA -0.066 4.274 4.340 0.000 0.000 0.200 314 Q C 2.654 178.631 176.000 -0.038 0.000 0.978 314 Q CA 0.719 56.500 55.803 -0.037 0.000 0.833 314 Q CB -0.499 28.225 28.738 -0.023 0.000 0.895 314 Q HN 0.433 nan 8.270 nan 0.000 0.427 315 L N 0.439 121.630 121.223 -0.053 0.000 2.079 315 L HA -0.185 4.155 4.340 0.000 0.000 0.210 315 L C 2.411 179.239 176.870 -0.070 0.000 1.081 315 L CA 1.358 56.154 54.840 -0.073 0.000 0.752 315 L CB -0.746 41.247 42.059 -0.110 0.000 0.896 315 L HN 0.226 nan 8.230 nan 0.000 0.433 316 T N -0.569 113.945 114.554 -0.066 0.000 2.746 316 T HA -0.182 4.168 4.350 0.000 0.000 0.267 316 T C 1.905 176.582 174.700 -0.039 0.000 1.039 316 T CA 1.225 63.290 62.100 -0.058 0.000 1.142 316 T CB -0.060 68.765 68.868 -0.072 0.000 0.866 316 T HN 0.268 nan 8.240 nan 0.000 0.444 317 K N 0.687 121.068 120.400 -0.032 0.000 2.283 317 K HA -0.048 4.272 4.320 0.000 0.000 0.202 317 K C 1.344 177.938 176.600 -0.011 0.000 1.048 317 K CA 0.924 57.202 56.287 -0.015 0.000 0.948 317 K CB 0.068 32.566 32.500 -0.003 0.000 0.742 317 K HN 0.186 nan 8.250 nan 0.000 0.458 318 D N 0.107 120.497 120.400 -0.018 0.000 2.340 318 D HA -0.044 4.596 4.640 0.000 0.000 0.220 318 D C -0.195 176.095 176.300 -0.017 0.000 1.039 318 D CA 0.313 54.306 54.000 -0.011 0.000 0.866 318 D CB -0.054 40.741 40.800 -0.008 0.000 0.913 318 D HN 0.079 nan 8.370 nan 0.000 0.523 319 N N -0.307 118.379 118.700 -0.023 0.000 2.783 319 N HA -0.172 4.568 4.740 0.000 0.000 0.247 319 N C -1.439 174.050 175.510 -0.036 0.000 1.089 319 N CA 0.165 53.204 53.050 -0.019 0.000 0.690 319 N CB -1.126 37.357 38.487 -0.005 0.000 0.991 319 N HN -0.095 nan 8.380 nan 0.000 0.552 320 V N 0.314 120.187 119.914 -0.068 0.000 2.398 320 V HA 0.724 4.844 4.120 0.000 0.000 0.286 320 V C 1.374 177.401 176.094 -0.112 0.000 1.026 320 V CA -0.201 62.025 62.300 -0.123 0.000 0.868 320 V CB 1.456 33.144 31.823 -0.226 0.000 0.982 320 V HN 0.357 nan 8.190 nan 0.000 0.443 321 G N 4.913 113.660 108.800 -0.088 0.000 2.467 321 G HA2 0.607 4.567 3.960 0.000 0.000 0.257 321 G HA3 0.607 4.567 3.960 0.000 0.000 0.257 321 G C -0.642 174.218 174.900 -0.066 0.000 1.227 321 G CA -0.323 44.750 45.100 -0.045 0.000 0.835 321 G HN 0.632 nan 8.290 nan 0.000 0.556 322 I N 1.732 122.285 120.570 -0.028 0.000 2.439 322 I HA 0.272 4.442 4.170 0.000 0.000 0.285 322 I C -0.160 175.958 176.117 0.001 0.000 1.021 322 I CA -0.448 60.845 61.300 -0.011 0.000 1.091 322 I CB 2.109 40.120 38.000 0.019 0.000 1.242 322 I HN 0.352 nan 8.210 nan 0.000 0.439 323 M N 7.137 126.735 119.600 -0.004 0.000 2.238 323 M HA 0.550 5.030 4.480 0.000 0.000 0.350 323 M C -0.952 175.281 176.300 -0.112 0.000 1.138 323 M CA -0.510 54.756 55.300 -0.056 0.000 1.040 323 M CB 1.343 33.922 32.600 -0.034 0.000 1.639 323 M HN 0.461 nan 8.290 nan 0.000 0.451 324 I N 5.847 126.227 120.570 -0.316 0.000 2.441 324 I HA 0.202 4.372 4.170 0.000 0.000 0.287 324 I C -0.804 175.008 176.117 -0.508 0.000 1.049 324 I CA -0.307 60.618 61.300 -0.625 0.000 1.381 324 I CB 0.715 37.977 38.000 -1.230 0.000 1.409 324 I HN 0.615 nan 8.210 nan 0.000 0.523 325 L N 6.782 127.737 121.223 -0.448 0.000 2.325 325 L HA 0.763 5.103 4.340 0.000 0.000 0.281 325 L C -0.167 176.411 176.870 -0.487 0.000 1.004 325 L CA -0.389 54.201 54.840 -0.416 0.000 0.823 325 L CB 1.581 43.378 42.059 -0.437 0.000 1.236 325 L HN 0.686 nan 8.230 nan 0.000 0.415 326 A N 3.795 126.533 122.820 -0.137 0.000 2.469 326 A HA 0.891 5.211 4.320 0.000 0.000 0.299 326 A C -1.243 176.630 177.584 0.482 0.000 1.098 326 A CA -0.512 51.630 52.037 0.175 0.000 0.737 326 A CB 2.204 21.264 19.000 0.100 0.000 1.312 326 A HN 0.717 nan 8.150 nan 0.000 0.414 327 Q N -0.154 119.927 119.800 0.468 0.000 2.482 327 Q HA 0.663 5.003 4.340 0.000 0.000 0.286 327 Q C -0.605 175.212 176.000 -0.304 0.000 1.007 327 Q CA -0.667 55.235 55.803 0.165 0.000 0.801 327 Q CB 1.455 30.281 28.738 0.147 0.000 1.455 327 Q HN 0.729 nan 8.270 nan 0.000 0.398 328 S N 0.169 115.424 115.700 -0.742 0.000 2.537 328 S HA 0.054 4.524 4.470 0.000 0.000 0.286 328 S C 0.970 175.438 174.600 -0.220 0.000 1.299 328 S CA -0.293 57.515 58.200 -0.654 0.000 1.067 328 S CB 0.572 63.471 63.200 -0.503 0.000 0.864 328 S HN 0.496 nan 8.310 nan 0.000 0.494 329 V N 5.352 125.191 119.914 -0.124 0.000 2.490 329 V HA -0.156 3.964 4.120 0.000 0.000 0.250 329 V C 2.627 178.704 176.094 -0.029 0.000 1.061 329 V CA 2.083 64.363 62.300 -0.033 0.000 1.064 329 V CB -1.278 30.548 31.823 0.005 0.000 0.670 329 V HN 1.040 nan 8.190 nan 0.000 0.461 330 S N -0.797 114.879 115.700 -0.040 0.000 2.419 330 S HA -0.186 4.284 4.470 0.000 0.000 0.235 330 S C 1.129 175.721 174.600 -0.012 0.000 1.019 330 S CA 0.905 59.096 58.200 -0.016 0.000 0.982 330 S CB -0.278 62.919 63.200 -0.005 0.000 0.789 330 S HN 0.735 nan 8.310 nan 0.000 0.490 331 Q N 1.038 120.823 119.800 -0.024 0.000 2.177 331 Q HA 0.347 4.687 4.340 0.000 0.000 0.183 331 Q C -0.716 175.275 176.000 -0.015 0.000 1.040 331 Q CA -0.807 54.992 55.803 -0.007 0.000 1.089 331 Q CB 0.150 28.899 28.738 0.019 0.000 1.130 331 Q HN 0.312 nan 8.270 nan 0.000 0.575 332 N N 1.334 120.024 118.700 -0.018 0.000 2.452 332 N HA 0.028 4.768 4.740 0.000 0.000 0.266 332 N C -2.066 173.413 175.510 -0.052 0.000 1.175 332 N CA -0.695 52.336 53.050 -0.032 0.000 0.945 332 N CB 0.805 39.268 38.487 -0.040 0.000 1.063 332 N HN 0.269 nan 8.380 nan 0.000 0.472 333 P HA -0.013 nan 4.420 nan 0.000 0.218 333 P C 0.261 177.523 177.300 -0.065 0.000 1.152 333 P CA 0.873 63.950 63.100 -0.039 0.000 0.826 333 P CB 0.370 32.074 31.700 0.006 0.000 0.790 334 N N -0.444 118.230 118.700 -0.043 0.000 2.521 334 N HA -0.072 4.668 4.740 0.000 0.000 0.188 334 N C 0.165 175.633 175.510 -0.070 0.000 1.146 334 N CA 0.775 53.804 53.050 -0.034 0.000 0.893 334 N CB -0.212 38.266 38.487 -0.015 0.000 0.975 334 N HN 0.174 nan 8.380 nan 0.000 0.451 335 D N 1.142 121.479 120.400 -0.105 0.000 2.772 335 D HA 0.206 4.846 4.640 0.000 0.000 0.273 335 D C -2.589 173.596 176.300 -0.192 0.000 1.233 335 D CA -2.289 51.642 54.000 -0.115 0.000 0.984 335 D CB 0.448 41.199 40.800 -0.082 0.000 1.000 335 D HN -0.121 nan 8.370 nan 0.000 0.514 336 P HA -0.086 nan 4.420 nan 0.000 0.235 336 P C -1.118 176.070 177.300 -0.187 0.000 1.080 336 P CA 0.571 63.264 63.100 -0.678 0.000 1.096 336 P CB -0.331 31.123 31.700 -0.410 0.000 1.085 337 H N 3.851 122.794 119.070 -0.212 0.000 2.581 337 H HA 0.301 4.857 4.556 0.000 0.000 0.308 337 H C -0.487 174.970 175.328 0.215 0.000 1.040 337 H CA -1.325 54.751 56.048 0.047 0.000 1.231 337 H CB 0.340 30.116 29.762 0.023 0.000 1.396 337 H HN 0.077 nan 8.280 nan 0.000 0.467 338 L N 5.844 127.173 121.223 0.176 0.000 2.791 338 L HA 0.145 4.485 4.340 0.000 0.000 0.276 338 L C 1.038 177.854 176.870 -0.091 0.000 1.136 338 L CA 1.177 56.092 54.840 0.124 0.000 1.008 338 L CB -0.264 41.883 42.059 0.146 0.000 1.348 338 L HN 0.940 nan 8.230 nan 0.000 0.476 339 G N 3.279 112.127 108.800 0.081 0.000 2.486 339 G HA2 -0.020 3.940 3.960 0.000 0.000 0.210 339 G HA3 -0.020 3.940 3.960 0.000 0.000 0.210 339 G C -0.212 174.850 174.900 0.270 0.000 1.168 339 G CA 0.330 45.563 45.100 0.223 0.000 0.820 339 G HN 0.645 nan 8.290 nan 0.000 0.544 340 H N -1.179 117.917 119.070 0.044 0.000 3.046 340 H HA 0.670 5.226 4.556 0.000 0.000 0.361 340 H C -1.278 173.914 175.328 -0.227 0.000 1.235 340 H CA -0.368 55.565 56.048 -0.192 0.000 1.146 340 H CB 1.669 31.165 29.762 -0.443 0.000 1.859 340 H HN 0.317 nan 8.280 nan 0.000 0.548 341 A N 3.349 125.726 122.820 -0.739 0.000 2.386 341 A HA 0.738 5.058 4.320 0.000 0.000 0.311 341 A C -1.676 175.420 177.584 -0.814 0.000 1.068 341 A CA -0.470 51.207 52.037 -0.600 0.000 0.743 341 A CB 0.911 19.709 19.000 -0.336 0.000 1.258 341 A HN 0.406 nan 8.150 nan 0.000 0.429 342 L N 0.312 121.159 121.223 -0.626 0.000 2.250 342 L HA 0.894 5.234 4.340 0.000 0.000 0.252 342 L C 0.278 176.969 176.870 -0.299 0.000 1.054 342 L CA -0.408 54.108 54.840 -0.541 0.000 0.856 342 L CB 1.847 43.562 42.059 -0.574 0.000 1.443 342 L HN 0.868 nan 8.230 nan 0.000 0.427 343 A N 0.117 122.876 122.820 -0.102 0.000 2.318 343 A HA 0.751 5.071 4.320 0.000 0.000 0.317 343 A C -0.891 176.695 177.584 0.003 0.000 1.159 343 A CA -0.597 51.475 52.037 0.058 0.000 0.799 343 A CB 1.030 20.271 19.000 0.400 0.000 1.194 343 A HN 0.355 nan 8.150 nan 0.000 0.479 344 V N 3.193 123.080 119.914 -0.045 0.000 2.583 344 V HA 0.158 4.278 4.120 0.000 0.000 0.287 344 V C 0.889 176.895 176.094 -0.147 0.000 1.051 344 V CA 0.149 62.430 62.300 -0.032 0.000 1.010 344 V CB 1.418 33.257 31.823 0.027 0.000 0.988 344 V HN 0.731 nan 8.190 nan 0.000 0.478 345 V N 3.001 122.789 119.914 -0.209 0.000 3.570 345 V HA 0.582 4.702 4.120 0.000 0.000 0.257 345 V C 0.872 176.845 176.094 -0.201 0.000 1.272 345 V CA 1.076 63.141 62.300 -0.391 0.000 1.079 345 V CB 0.186 31.642 31.823 -0.613 0.000 0.829 345 V HN 1.101 nan 8.190 nan 0.000 0.454 346 G N 0.763 109.494 108.800 -0.116 0.000 2.360 346 G HA2 0.235 4.195 3.960 0.000 0.000 0.276 346 G HA3 0.235 4.195 3.960 0.000 0.000 0.276 346 G C -2.012 172.850 174.900 -0.064 0.000 1.256 346 G CA -0.041 44.999 45.100 -0.100 0.000 0.890 346 G HN 0.293 nan 8.290 nan 0.000 0.486 347 N N -0.291 118.352 118.700 -0.094 0.000 2.647 347 N HA 0.838 5.578 4.740 0.000 0.000 0.266 347 N C -0.603 174.905 175.510 -0.004 0.000 1.373 347 N CA -0.044 52.990 53.050 -0.026 0.000 0.807 347 N CB 2.004 40.370 38.487 -0.203 0.000 1.513 347 N HN 1.912 nan 8.380 nan 0.000 0.505 348 A N -0.155 122.776 122.820 0.184 0.000 2.599 348 A HA 0.634 4.954 4.320 0.000 0.000 0.290 348 A C -1.605 176.128 177.584 0.247 0.000 1.101 348 A CA -0.799 51.312 52.037 0.124 0.000 0.674 348 A CB 1.613 20.581 19.000 -0.053 0.000 1.277 348 A HN 0.634 nan 8.150 nan 0.000 0.419 349 K N 1.319 121.834 120.400 0.192 0.000 2.535 349 K HA 0.660 4.980 4.320 0.000 0.000 0.253 349 K C -1.682 174.919 176.600 0.002 0.000 0.953 349 K CA -0.236 56.105 56.287 0.089 0.000 0.863 349 K CB 0.833 33.419 32.500 0.144 0.000 1.111 349 K HN 0.611 nan 8.250 nan 0.000 0.431 350 I N 3.498 124.023 120.570 -0.075 0.000 2.433 350 I HA 0.185 4.355 4.170 0.000 0.000 0.292 350 I C 0.008 176.097 176.117 -0.047 0.000 1.001 350 I CA -0.883 60.355 61.300 -0.103 0.000 1.119 350 I CB 1.655 39.497 38.000 -0.263 0.000 1.289 350 I HN 0.702 nan 8.210 nan 0.000 0.438 351 N N 4.157 122.841 118.700 -0.027 0.000 2.716 351 N HA -0.255 4.486 4.740 0.000 0.000 0.250 351 N C 0.174 175.675 175.510 -0.015 0.000 1.033 351 N CA 1.520 54.564 53.050 -0.010 0.000 0.727 351 N CB -0.962 37.532 38.487 0.011 0.000 0.950 351 N HN 0.923 nan 8.380 nan 0.000 0.541 352 D N -1.521 118.865 120.400 -0.025 0.000 3.041 352 D HA -0.205 4.435 4.640 0.000 0.000 0.220 352 D C -0.658 175.605 176.300 -0.061 0.000 1.157 352 D CA 1.483 55.460 54.000 -0.039 0.000 0.876 352 D CB -0.630 40.151 40.800 -0.032 0.000 1.107 352 D HN 0.663 nan 8.370 nan 0.000 0.422 353 Q N 0.010 119.772 119.800 -0.065 0.000 2.375 353 Q HA 0.403 4.743 4.340 0.000 0.000 0.271 353 Q C -0.545 175.368 176.000 -0.145 0.000 1.074 353 Q CA -0.898 54.852 55.803 -0.088 0.000 0.808 353 Q CB 1.638 30.361 28.738 -0.025 0.000 1.327 353 Q HN 0.263 nan 8.270 nan 0.000 0.441 354 E N 2.491 122.541 120.200 -0.251 0.000 2.344 354 E HA 0.184 4.534 4.350 0.000 0.000 0.270 354 E C -0.560 175.986 176.600 -0.090 0.000 1.021 354 E CA -0.032 56.123 56.400 -0.407 0.000 0.887 354 E CB 0.674 29.900 29.700 -0.789 0.000 0.997 354 E HN 0.117 nan 8.360 nan 0.000 0.429 355 K N 2.368 122.809 120.400 0.069 0.000 2.443 355 K HA 0.538 4.858 4.320 0.000 0.000 0.251 355 K C -0.609 176.126 176.600 0.225 0.000 0.972 355 K CA -0.794 55.564 56.287 0.118 0.000 0.833 355 K CB 1.796 34.279 32.500 -0.028 0.000 1.317 355 K HN 0.374 nan 8.250 nan 0.000 0.441 356 L N 1.970 123.321 121.223 0.213 0.000 2.346 356 L HA 0.575 4.915 4.340 0.000 0.000 0.274 356 L C -0.223 176.764 176.870 0.197 0.000 1.007 356 L CA -1.028 53.949 54.840 0.229 0.000 0.818 356 L CB 1.482 43.731 42.059 0.318 0.000 1.284 356 L HN 0.406 nan 8.230 nan 0.000 0.424 357 I N 2.688 123.324 120.570 0.110 0.000 2.377 357 I HA 0.405 4.575 4.170 0.000 0.000 0.293 357 I C -0.889 175.268 176.117 0.066 0.000 0.987 357 I CA -0.608 60.694 61.300 0.004 0.000 1.185 357 I CB 1.365 39.312 38.000 -0.087 0.000 1.341 357 I HN 0.504 nan 8.210 nan 0.000 0.455 358 Y N 3.947 124.211 120.300 -0.060 0.000 2.689 358 Y HA 0.648 5.198 4.550 -0.000 0.000 0.333 358 Y C -1.882 174.033 175.900 0.025 0.000 1.190 358 Y CA -1.527 56.524 58.100 -0.082 0.000 1.063 358 Y CB 1.145 39.538 38.460 -0.113 0.000 1.294 358 Y HN 0.543 nan 8.280 nan 0.000 0.466 359 W N 3.550 124.873 121.300 0.037 0.000 2.619 359 W HA 0.494 5.154 4.660 -0.000 0.000 0.327 359 W C -1.528 175.051 176.519 0.099 0.000 1.027 359 W CA -1.305 56.061 57.345 0.035 0.000 1.233 359 W CB 1.567 31.096 29.460 0.114 0.000 1.370 359 W HN 0.657 nan 8.180 nan 0.000 0.453 360 N N 7.442 125.923 118.700 -0.366 0.000 2.408 360 N HA 0.202 4.942 4.740 0.000 0.000 0.257 360 N C -1.701 173.074 175.510 -1.226 0.000 1.064 360 N CA -1.673 51.001 53.050 -0.627 0.000 0.952 360 N CB 2.080 40.451 38.487 -0.194 0.000 1.093 360 N HN 0.186 nan 8.380 nan 0.000 0.490 361 P HA -0.129 nan 4.420 nan 0.000 0.219 361 P C 0.702 177.658 177.300 -0.575 0.000 1.145 361 P CA 1.192 63.437 63.100 -1.426 0.000 0.813 361 P CB 0.054 31.157 31.700 -0.995 0.000 0.771 362 W N -0.583 120.519 121.300 -0.331 0.000 2.800 362 W HA 0.082 4.742 4.660 0.000 0.000 0.249 362 W C 0.153 176.683 176.519 0.020 0.000 1.294 362 W CA 0.252 57.525 57.345 -0.121 0.000 1.402 362 W CB -0.889 28.535 29.460 -0.059 0.000 1.126 362 W HN 0.071 nan 8.180 nan 0.000 0.652 363 D N -0.903 119.646 120.400 0.249 0.000 2.326 363 D HA 0.172 4.812 4.640 0.000 0.000 0.251 363 D C 1.350 177.948 176.300 0.496 0.000 1.023 363 D CA 0.027 54.234 54.000 0.344 0.000 0.966 363 D CB 1.317 42.302 40.800 0.308 0.000 1.156 363 D HN -0.201 nan 8.370 nan 0.000 0.494 364 T N -3.182 111.587 114.554 0.358 0.000 3.069 364 T HA 0.252 4.602 4.350 0.000 0.000 0.252 364 T C 0.406 175.255 174.700 0.248 0.000 1.053 364 T CA -0.081 62.196 62.100 0.296 0.000 0.964 364 T CB 0.462 69.447 68.868 0.195 0.000 1.005 364 T HN 0.314 nan 8.240 nan 0.000 0.532 365 E N 0.160 120.536 120.200 0.292 0.000 2.456 365 E HA 0.596 4.946 4.350 0.000 0.000 0.276 365 E C -0.950 175.802 176.600 0.253 0.000 0.981 365 E CA -1.030 55.503 56.400 0.222 0.000 0.814 365 E CB 1.912 31.734 29.700 0.204 0.000 1.382 365 E HN 0.093 nan 8.360 nan 0.000 0.459 366 L N 0.432 121.735 121.223 0.133 0.000 2.479 366 L HA 0.435 4.775 4.340 0.000 0.000 0.249 366 L C 0.099 176.915 176.870 -0.090 0.000 1.178 366 L CA -0.241 54.629 54.840 0.049 0.000 0.811 366 L CB 0.753 42.789 42.059 -0.039 0.000 1.187 366 L HN 0.386 nan 8.230 nan 0.000 0.480 367 S N 0.165 115.672 115.700 -0.321 0.000 2.570 367 S HA 0.718 5.188 4.470 0.000 0.000 0.286 367 S C -0.755 173.559 174.600 -0.477 0.000 1.099 367 S CA -0.538 57.383 58.200 -0.467 0.000 0.913 367 S CB 2.107 64.817 63.200 -0.816 0.000 1.085 367 S HN 0.316 nan 8.310 nan 0.000 0.480 368 I N 1.791 122.231 120.570 -0.216 0.000 2.582 368 I HA 0.568 4.738 4.170 0.000 0.000 0.292 368 I C -0.541 175.674 176.117 0.164 0.000 1.066 368 I CA -0.463 60.797 61.300 -0.068 0.000 1.053 368 I CB 2.150 40.062 38.000 -0.147 0.000 1.241 368 I HN 0.538 nan 8.210 nan 0.000 0.421 369 Q N 3.205 123.154 119.800 0.249 0.000 2.522 369 Q HA 0.275 4.615 4.340 0.000 0.000 0.285 369 Q C -1.772 174.396 176.000 0.279 0.000 0.982 369 Q CA -0.845 55.169 55.803 0.351 0.000 0.805 369 Q CB 2.430 31.419 28.738 0.418 0.000 1.457 369 Q HN 0.559 nan 8.270 nan 0.000 0.394 370 D N 1.495 122.054 120.400 0.265 0.000 2.583 370 D HA 0.028 4.668 4.640 0.000 0.000 0.232 370 D C 0.637 177.036 176.300 0.165 0.000 1.128 370 D CA 1.037 55.148 54.000 0.185 0.000 0.859 370 D CB 0.974 41.863 40.800 0.150 0.000 1.169 370 D HN 0.632 nan 8.370 nan 0.000 0.481 371 A N 3.329 126.226 122.820 0.129 0.000 2.015 371 A HA -0.147 4.173 4.320 0.000 0.000 0.219 371 A C 1.322 178.947 177.584 0.068 0.000 1.163 371 A CA 1.132 53.251 52.037 0.137 0.000 0.646 371 A CB -0.095 19.007 19.000 0.169 0.000 0.806 371 A HN 0.637 nan 8.150 nan 0.000 0.448 372 D N 0.060 120.487 120.400 0.045 0.000 2.460 372 D HA 0.067 4.707 4.640 0.000 0.000 0.229 372 D C 0.239 176.555 176.300 0.026 0.000 1.170 372 D CA 0.450 54.457 54.000 0.011 0.000 0.827 372 D CB -0.620 40.178 40.800 -0.003 0.000 0.973 372 D HN 0.306 nan 8.370 nan 0.000 0.496 373 S N -0.541 115.199 115.700 0.066 0.000 2.525 373 S HA 0.461 4.931 4.470 0.000 0.000 0.290 373 S C 0.612 175.277 174.600 0.108 0.000 1.152 373 S CA -0.523 57.728 58.200 0.086 0.000 1.072 373 S CB 1.729 65.001 63.200 0.120 0.000 1.027 373 S HN 0.112 nan 8.310 nan 0.000 0.500 374 S N 1.938 117.701 115.700 0.104 0.000 2.663 374 S HA 0.383 4.853 4.470 0.000 0.000 0.243 374 S C -0.391 174.332 174.600 0.205 0.000 1.009 374 S CA -0.442 57.846 58.200 0.148 0.000 0.988 374 S CB -0.417 62.829 63.200 0.077 0.000 0.896 374 S HN 0.517 nan 8.310 nan 0.000 0.502 375 L N 1.843 123.174 121.223 0.180 0.000 2.362 375 L HA 0.612 4.952 4.340 0.000 0.000 0.275 375 L C -0.871 176.111 176.870 0.185 0.000 0.998 375 L CA -0.815 54.135 54.840 0.183 0.000 0.820 375 L CB 1.827 43.975 42.059 0.148 0.000 1.270 375 L HN 0.326 nan 8.230 nan 0.000 0.415 376 L N 3.551 124.889 121.223 0.192 0.000 2.294 376 L HA 0.366 4.706 4.340 0.000 0.000 0.283 376 L C -0.755 176.246 176.870 0.219 0.000 1.015 376 L CA -0.756 54.178 54.840 0.157 0.000 0.831 376 L CB 1.196 43.279 42.059 0.039 0.000 1.217 376 L HN 0.549 nan 8.230 nan 0.000 0.420 377 H N 4.055 123.208 119.070 0.140 0.000 2.723 377 H HA 0.483 5.039 4.556 0.000 0.000 0.294 377 H C -0.562 174.871 175.328 0.175 0.000 1.079 377 H CA 0.066 56.205 56.048 0.152 0.000 1.411 377 H CB 0.546 30.369 29.762 0.101 0.000 1.439 377 H HN 0.425 nan 8.280 nan 0.000 0.474 378 L N 2.149 123.268 121.223 -0.175 0.000 2.664 378 L HA 0.452 4.792 4.340 0.000 0.000 0.253 378 L C 0.654 177.512 176.870 -0.019 0.000 1.293 378 L CA -1.169 53.679 54.840 0.013 0.000 1.280 378 L CB 0.432 42.514 42.059 0.039 0.000 1.993 378 L HN 0.598 nan 8.230 nan 0.000 0.577 379 S N -1.192 114.499 115.700 -0.015 0.000 2.617 379 S HA 0.170 4.640 4.470 0.000 0.000 0.259 379 S C 0.189 174.764 174.600 -0.042 0.000 1.301 379 S CA -0.285 57.738 58.200 -0.296 0.000 0.984 379 S CB 0.408 63.233 63.200 -0.624 0.000 0.954 379 S HN 0.562 nan 8.310 nan 0.000 0.572 380 F N 0.919 120.713 119.950 -0.259 0.000 3.093 380 F HA -0.293 4.234 4.527 0.000 0.000 0.283 380 F C 0.606 176.396 175.800 -0.017 0.000 0.848 380 F CA 1.119 59.068 58.000 -0.086 0.000 1.059 380 F CB -2.146 36.827 39.000 -0.046 0.000 1.191 380 F HN 1.023 nan 8.300 nan 0.000 0.514 381 N N 0.494 119.171 118.700 -0.038 0.000 2.735 381 N HA -0.278 4.462 4.740 0.000 0.000 0.248 381 N C -0.095 175.406 175.510 -0.014 0.000 1.083 381 N CA 1.448 54.495 53.050 -0.005 0.000 0.703 381 N CB -0.524 37.934 38.487 -0.048 0.000 1.005 381 N HN 0.698 nan 8.380 nan 0.000 0.550 382 R N 0.170 120.652 120.500 -0.030 0.000 2.486 382 R HA 0.397 4.737 4.340 0.000 0.000 0.286 382 R C -0.829 175.530 176.300 0.099 0.000 0.999 382 R CA -0.614 55.548 56.100 0.103 0.000 0.993 382 R CB 0.909 31.390 30.300 0.303 0.000 1.084 382 R HN 0.165 nan 8.270 nan 0.000 0.487 383 D N 2.187 122.695 120.400 0.181 0.000 2.481 383 D HA 0.170 4.810 4.640 0.000 0.000 0.246 383 D C -1.013 175.430 176.300 0.238 0.000 1.109 383 D CA -0.275 53.868 54.000 0.239 0.000 0.845 383 D CB 1.420 42.345 40.800 0.208 0.000 1.160 383 D HN 0.285 nan 8.370 nan 0.000 0.534 384 Y N 1.360 121.719 120.300 0.099 0.000 2.320 384 Y HA 0.147 4.697 4.550 -0.000 0.000 0.334 384 Y C 1.052 177.033 175.900 0.135 0.000 1.055 384 Y CA -0.612 57.555 58.100 0.113 0.000 1.143 384 Y CB 0.976 39.494 38.460 0.096 0.000 1.193 384 Y HN 0.232 nan 8.280 nan 0.000 0.477 385 N N 2.740 121.585 118.700 0.242 0.000 2.499 385 N HA -0.009 4.731 4.740 0.000 0.000 0.281 385 N C -0.928 174.797 175.510 0.358 0.000 1.098 385 N CA -0.510 52.697 53.050 0.263 0.000 0.979 385 N CB 0.524 39.138 38.487 0.212 0.000 1.121 385 N HN 0.676 nan 8.380 nan 0.000 0.466 386 W N 7.230 128.584 121.300 0.089 0.000 2.351 386 W HA 0.076 4.736 4.660 -0.000 0.000 0.421 386 W C -0.070 176.470 176.519 0.034 0.000 1.000 386 W CA -1.002 56.343 57.345 -0.000 0.000 1.610 386 W CB -0.866 28.559 29.460 -0.058 0.000 1.700 386 W HN 0.599 nan 8.180 nan 0.000 0.351 387 Y N 3.356 123.898 120.300 0.403 0.000 2.490 387 Y HA 0.485 5.035 4.550 0.000 0.000 0.285 387 Y C 0.910 176.973 175.900 0.270 0.000 1.117 387 Y CA 0.556 58.814 58.100 0.263 0.000 1.262 387 Y CB -0.292 38.302 38.460 0.223 0.000 1.043 387 Y HN 0.185 nan 8.280 nan 0.000 0.553 388 G N -0.805 107.986 108.800 -0.016 0.000 2.488 388 G HA2 0.544 4.504 3.960 0.000 0.000 0.301 388 G HA3 0.544 4.504 3.960 0.000 0.000 0.301 388 G C -1.674 173.299 174.900 0.122 0.000 1.339 388 G CA -0.556 44.575 45.100 0.052 0.000 0.803 388 G HN 0.158 nan 8.290 nan 0.000 0.482 389 S N -0.581 115.152 115.700 0.054 0.000 2.596 389 S HA 0.668 5.138 4.470 0.000 0.000 0.270 389 S C -0.896 173.776 174.600 0.120 0.000 1.155 389 S CA -0.805 57.476 58.200 0.135 0.000 0.827 389 S CB 1.800 65.121 63.200 0.202 0.000 1.130 389 S HN 0.562 nan 8.310 nan 0.000 0.467 390 M N 2.454 122.126 119.600 0.120 0.000 2.066 390 M HA 0.465 4.945 4.480 0.000 0.000 0.340 390 M C -1.124 175.218 176.300 0.071 0.000 1.053 390 M CA -0.076 55.305 55.300 0.135 0.000 0.983 390 M CB 0.125 32.799 32.600 0.123 0.000 1.520 390 M HN 0.540 nan 8.290 nan 0.000 0.428 391 I N 2.215 122.828 120.570 0.072 0.000 2.330 391 I HA 0.342 4.512 4.170 0.000 0.000 0.289 391 I C 0.961 177.018 176.117 -0.099 0.000 1.001 391 I CA -0.549 60.705 61.300 -0.078 0.000 1.193 391 I CB 1.646 39.551 38.000 -0.158 0.000 1.345 391 I HN 0.767 nan 8.210 nan 0.000 0.461 392 G N 6.540 115.254 108.800 -0.143 0.000 2.915 392 G HA2 0.287 4.247 3.960 0.000 0.000 0.298 392 G HA3 0.287 4.247 3.960 0.000 0.000 0.298 392 G C -0.404 174.414 174.900 -0.138 0.000 0.837 392 G CA -0.149 44.909 45.100 -0.069 0.000 1.752 392 G HN 0.398 nan 8.290 nan 0.000 0.526 393 Y N 0.624 120.910 120.300 -0.023 0.000 2.296 393 Y HA 0.317 4.867 4.550 -0.000 0.000 0.343 393 Y C 1.274 177.159 175.900 -0.026 0.000 1.292 393 Y CA -0.436 57.632 58.100 -0.054 0.000 1.490 393 Y CB 0.687 39.065 38.460 -0.136 0.000 1.359 393 Y HN 0.247 nan 8.280 nan 0.000 0.599 394 L N 0.945 122.255 121.223 0.145 0.000 2.439 394 L HA 0.187 4.527 4.340 0.000 0.000 0.261 394 L C 1.086 178.000 176.870 0.074 0.000 1.153 394 L CA -0.334 54.552 54.840 0.077 0.000 0.808 394 L CB 0.604 42.695 42.059 0.053 0.000 1.126 394 L HN 0.716 nan 8.230 nan 0.000 0.460 395 E N 0.760 120.990 120.200 0.049 0.000 2.072 395 E HA -0.036 4.314 4.350 0.000 0.000 0.190 395 E C -0.236 176.382 176.600 0.029 0.000 0.982 395 E CA 0.879 57.304 56.400 0.041 0.000 0.803 395 E CB 0.233 29.950 29.700 0.028 0.000 0.755 395 E HN 0.321 nan 8.360 nan 0.000 0.453 396 V N 3.495 123.423 119.914 0.025 0.000 2.305 396 V HA 0.220 4.340 4.120 0.000 0.000 0.275 396 V C -2.026 174.079 176.094 0.019 0.000 1.020 396 V CA -1.237 61.074 62.300 0.018 0.000 0.811 396 V CB 0.684 32.515 31.823 0.013 0.000 1.031 396 V HN 0.115 nan 8.190 nan 0.000 0.439 397 P HA 0.000 nan 4.420 nan 0.000 0.216 397 P CA 0.000 63.111 63.100 0.018 0.000 0.800 397 P CB 0.000 31.709 31.700 0.015 0.000 0.726