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_A 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 0.350 120.136 119.800 -0.024 0.000 2.427 42 Q HA 0.454 4.795 4.340 0.003 0.000 0.232 42 Q C -0.526 175.448 176.000 -0.044 0.000 1.018 42 Q CA -1.314 54.471 55.803 -0.031 0.000 0.965 42 Q CB 1.475 30.197 28.738 -0.027 0.000 1.232 42 Q HN 0.158 nan 8.270 nan 0.000 0.510 43 L N 1.096 122.285 121.223 -0.057 0.000 2.490 43 L HA 0.027 4.369 4.340 0.003 0.000 0.274 43 L C -0.696 176.118 176.870 -0.094 0.000 1.201 43 L CA 1.231 56.020 54.840 -0.085 0.000 0.869 43 L CB 0.264 42.256 42.059 -0.111 0.000 1.123 43 L HN 0.479 nan 8.230 nan 0.000 0.484 44 E N 4.537 124.674 120.200 -0.105 0.000 2.312 44 E HA 0.547 4.898 4.350 0.003 0.000 0.267 44 E C -1.217 175.301 176.600 -0.137 0.000 0.894 44 E CA -0.727 55.615 56.400 -0.097 0.000 0.773 44 E CB 2.078 31.739 29.700 -0.065 0.000 1.241 44 E HN 0.517 nan 8.360 nan 0.000 0.432 45 I N 2.442 122.938 120.570 -0.123 0.000 2.406 45 I HA 0.264 4.436 4.170 0.003 0.000 0.290 45 I C -0.434 175.653 176.117 -0.050 0.000 0.999 45 I CA -1.015 60.201 61.300 -0.141 0.000 1.124 45 I CB 1.416 39.296 38.000 -0.200 0.000 1.289 45 I HN 0.299 nan 8.210 nan 0.000 0.441 46 N N 6.206 124.875 118.700 -0.052 0.000 2.497 46 N HA 0.355 5.097 4.740 0.003 0.000 0.268 46 N C -0.479 175.051 175.510 0.035 0.000 1.171 46 N CA -0.019 53.012 53.050 -0.032 0.000 0.948 46 N CB 1.798 40.240 38.487 -0.075 0.000 1.069 46 N HN 0.438 nan 8.380 nan 0.000 0.460 47 V N -0.823 119.114 119.914 0.037 0.000 3.188 47 V HA 0.432 4.554 4.120 0.003 0.000 0.305 47 V C 1.090 177.207 176.094 0.038 0.000 1.232 47 V CA -0.997 61.387 62.300 0.139 0.000 1.043 47 V CB 2.081 34.037 31.823 0.221 0.000 1.068 47 V HN 0.496 nan 8.190 nan 0.000 0.439 48 K N 1.686 122.149 120.400 0.105 0.000 2.057 48 K HA 0.177 4.499 4.320 0.003 0.000 0.206 48 K C 0.856 177.496 176.600 0.066 0.000 1.050 48 K CA 2.030 58.345 56.287 0.047 0.000 0.935 48 K CB -0.168 32.412 32.500 0.133 0.000 0.715 48 K HN 1.136 nan 8.250 nan 0.000 0.439 49 S N -0.989 114.774 115.700 0.106 0.000 2.570 49 S HA 0.250 4.722 4.470 0.003 0.000 0.270 49 S C -1.056 173.597 174.600 0.089 0.000 1.149 49 S CA -0.310 57.938 58.200 0.080 0.000 0.837 49 S CB 1.302 64.549 63.200 0.077 0.000 1.124 49 S HN 0.370 nan 8.310 nan 0.000 0.465 50 D N 1.063 121.501 120.400 0.063 0.000 2.349 50 D HA 0.188 4.830 4.640 0.003 0.000 0.214 50 D C -0.003 176.327 176.300 0.050 0.000 1.063 50 D CA -0.011 54.023 54.000 0.057 0.000 0.847 50 D CB 0.140 40.962 40.800 0.038 0.000 0.933 50 D HN 0.161 nan 8.370 nan 0.000 0.513 51 K N 0.692 121.126 120.400 0.056 0.000 2.401 51 K HA 0.341 4.663 4.320 0.003 0.000 0.278 51 K C -0.368 176.261 176.600 0.048 0.000 1.018 51 K CA -0.322 55.989 56.287 0.041 0.000 0.981 51 K CB 1.891 34.416 32.500 0.042 0.000 0.933 51 K HN -0.010 nan 8.250 nan 0.000 0.477 52 V N 4.380 124.277 119.914 -0.028 0.000 2.841 52 V HA 0.243 4.365 4.120 0.003 0.000 0.310 52 V C -2.325 173.647 176.094 -0.204 0.000 1.090 52 V CA -2.078 60.121 62.300 -0.168 0.000 0.930 52 V CB 1.998 33.683 31.823 -0.230 0.000 1.014 52 V HN 0.610 nan 8.190 nan 0.000 0.425 53 P HA 0.092 nan 4.420 nan 0.000 0.264 53 P C 0.504 177.682 177.300 -0.203 0.000 1.193 53 P CA 0.077 63.055 63.100 -0.202 0.000 0.763 53 P CB 0.634 32.206 31.700 -0.213 0.000 0.810 54 Q N 4.540 124.271 119.800 -0.115 0.000 2.173 54 Q HA -0.267 4.075 4.340 0.003 0.000 0.208 54 Q C 1.816 177.747 176.000 -0.116 0.000 0.989 54 Q CA 1.957 57.704 55.803 -0.094 0.000 0.872 54 Q CB -0.434 28.272 28.738 -0.054 0.000 0.909 54 Q HN 0.369 nan 8.270 nan 0.000 0.420 55 K N -1.093 119.236 120.400 -0.119 0.000 2.032 55 K HA -0.144 4.178 4.320 0.003 0.000 0.209 55 K C 1.856 178.330 176.600 -0.210 0.000 1.048 55 K CA 1.682 57.900 56.287 -0.115 0.000 0.927 55 K CB -0.127 32.338 32.500 -0.058 0.000 0.712 55 K HN 0.176 nan 8.250 nan 0.000 0.441 56 V N 1.676 121.367 119.914 -0.372 0.000 2.307 56 V HA -0.237 3.885 4.120 0.003 0.000 0.245 56 V C 2.446 178.354 176.094 -0.309 0.000 1.045 56 V CA 2.006 64.001 62.300 -0.508 0.000 1.024 56 V CB -0.505 30.793 31.823 -0.874 0.000 0.651 56 V HN 0.432 nan 8.190 nan 0.000 0.449 57 K N 0.042 120.308 120.400 -0.223 0.000 2.044 57 K HA -0.272 4.050 4.320 0.003 0.000 0.210 57 K C 1.834 178.334 176.600 -0.166 0.000 1.049 57 K CA 2.217 58.426 56.287 -0.130 0.000 0.927 57 K CB -0.306 32.148 32.500 -0.077 0.000 0.713 57 K HN 0.443 nan 8.250 nan 0.000 0.443 58 D N 1.023 121.341 120.400 -0.136 0.000 2.117 58 D HA -0.160 4.482 4.640 0.003 0.000 0.197 58 D C 2.062 178.293 176.300 -0.114 0.000 0.987 58 D CA 0.808 54.748 54.000 -0.101 0.000 0.829 58 D CB -0.194 40.564 40.800 -0.071 0.000 0.961 58 D HN 0.231 nan 8.370 nan 0.000 0.460 59 L N 0.747 121.883 121.223 -0.146 0.000 1.970 59 L HA -0.234 4.108 4.340 0.003 0.000 0.212 59 L C 2.493 179.253 176.870 -0.183 0.000 1.071 59 L CA 1.463 56.219 54.840 -0.139 0.000 0.751 59 L CB -0.385 41.584 42.059 -0.150 0.000 0.889 59 L HN -0.010 nan 8.230 nan 0.000 0.432 60 A N -0.867 121.764 122.820 -0.315 0.000 1.892 60 A HA -0.341 3.981 4.320 0.003 0.000 0.218 60 A C 2.101 179.556 177.584 -0.215 0.000 1.188 60 A CA 2.189 53.950 52.037 -0.459 0.000 0.631 60 A CB -0.660 17.651 19.000 -1.148 0.000 0.822 60 A HN 0.481 nan 8.150 nan 0.000 0.447 61 Q N -1.341 118.358 119.800 -0.168 0.000 2.084 61 Q HA -0.200 4.141 4.340 0.003 0.000 0.202 61 Q C 2.248 178.346 176.000 0.163 0.000 0.978 61 Q CA 1.994 57.821 55.803 0.040 0.000 0.844 61 Q CB -0.234 28.493 28.738 -0.017 0.000 0.898 61 Q HN 0.649 nan 8.270 nan 0.000 0.426 62 Q N -0.886 118.935 119.800 0.035 0.000 2.167 62 Q HA -0.088 4.254 4.340 0.003 0.000 0.202 62 Q C 1.383 177.387 176.000 0.007 0.000 0.970 62 Q CA 1.259 57.072 55.803 0.017 0.000 0.855 62 Q CB 0.315 29.047 28.738 -0.010 0.000 0.911 62 Q HN 0.350 nan 8.270 nan 0.000 0.438 63 Q N -1.832 117.972 119.800 0.007 0.000 2.353 63 Q HA 0.076 4.418 4.340 0.003 0.000 0.240 63 Q C 1.799 177.795 176.000 -0.007 0.000 0.868 63 Q CA 0.189 55.997 55.803 0.008 0.000 0.944 63 Q CB -0.065 28.643 28.738 -0.050 0.000 1.104 63 Q HN 0.505 nan 8.270 nan 0.000 0.531 64 F N 1.494 121.363 119.950 -0.134 0.000 2.115 64 F HA -0.175 4.354 4.527 0.002 0.000 0.300 64 F C 2.059 177.825 175.800 -0.056 0.000 1.092 64 F CA 1.532 59.466 58.000 -0.110 0.000 1.245 64 F CB -0.907 38.022 39.000 -0.118 0.000 0.995 64 F HN -0.020 nan 8.300 nan 0.000 0.481 65 A N 1.222 123.332 122.820 -1.184 0.000 1.883 65 A HA 0.018 4.340 4.320 0.003 0.000 0.217 65 A C 2.561 179.914 177.584 -0.386 0.000 1.186 65 A CA 1.949 53.485 52.037 -0.834 0.000 0.624 65 A CB -1.805 16.761 19.000 -0.723 0.000 0.822 65 A HN 0.598 nan 8.150 nan 0.000 0.444 66 G N -1.835 106.838 108.800 -0.211 0.000 2.421 66 G HA2 -0.225 3.736 3.960 0.003 0.000 0.216 66 G HA3 -0.225 3.736 3.960 0.003 0.000 0.216 66 G C 1.482 176.336 174.900 -0.077 0.000 1.171 66 G CA 1.235 46.278 45.100 -0.095 0.000 0.775 66 G HN 0.508 nan 8.290 nan 0.000 0.543 67 Y N 1.320 121.509 120.300 -0.185 0.000 2.181 67 Y HA 0.042 4.593 4.550 0.003 0.000 0.288 67 Y C 3.139 178.892 175.900 -0.244 0.000 1.146 67 Y CA 0.780 58.780 58.100 -0.166 0.000 1.164 67 Y CB -0.475 37.918 38.460 -0.112 0.000 0.982 67 Y HN 0.267 nan 8.280 nan 0.000 0.515 68 A N -0.048 122.671 122.820 -0.168 0.000 1.877 68 A HA -0.241 4.081 4.320 0.003 0.000 0.216 68 A C 2.182 179.557 177.584 -0.347 0.000 1.186 68 A CA 2.077 53.903 52.037 -0.352 0.000 0.620 68 A CB -0.575 17.954 19.000 -0.785 0.000 0.822 68 A HN 0.289 nan 8.150 nan 0.000 0.443 69 K N 0.425 120.612 120.400 -0.354 0.000 2.057 69 K HA 0.014 4.335 4.320 0.003 0.000 0.207 69 K C 1.948 178.524 176.600 -0.040 0.000 1.049 69 K CA 1.807 58.058 56.287 -0.060 0.000 0.931 69 K CB -0.725 31.784 32.500 0.015 0.000 0.714 69 K HN 0.316 nan 8.250 nan 0.000 0.440 70 A N 0.476 123.229 122.820 -0.111 0.000 1.902 70 A HA -0.091 4.231 4.320 0.003 0.000 0.217 70 A C 2.113 179.625 177.584 -0.120 0.000 1.181 70 A CA 1.579 53.543 52.037 -0.123 0.000 0.623 70 A CB -0.685 18.198 19.000 -0.195 0.000 0.818 70 A HN 0.353 nan 8.150 nan 0.000 0.443 71 L N -0.210 120.910 121.223 -0.172 0.000 2.156 71 L HA -0.082 4.260 4.340 0.003 0.000 0.208 71 L C 1.536 178.381 176.870 -0.042 0.000 1.095 71 L CA 2.047 56.764 54.840 -0.205 0.000 0.770 71 L CB -0.613 41.139 42.059 -0.511 0.000 0.914 71 L HN 0.291 nan 8.230 nan 0.000 0.439 72 D N -0.318 120.128 120.400 0.076 0.000 2.144 72 D HA -0.218 4.424 4.640 0.003 0.000 0.199 72 D C 2.114 178.483 176.300 0.114 0.000 0.984 72 D CA 1.066 55.193 54.000 0.211 0.000 0.834 72 D CB 0.098 41.075 40.800 0.294 0.000 0.955 72 D HN 0.350 nan 8.370 nan 0.000 0.465 73 K N 0.302 120.737 120.400 0.058 0.000 2.032 73 K HA -0.168 4.154 4.320 0.003 0.000 0.209 73 K C 1.992 178.601 176.600 0.015 0.000 1.048 73 K CA 1.105 57.409 56.287 0.029 0.000 0.927 73 K CB 0.176 32.674 32.500 -0.004 0.000 0.712 73 K HN -0.036 nan 8.250 nan 0.000 0.441 74 Q N 0.146 119.942 119.800 -0.007 0.000 2.124 74 Q HA -0.047 4.295 4.340 0.003 0.000 0.202 74 Q C 1.755 177.770 176.000 0.025 0.000 0.977 74 Q CA 1.227 57.022 55.803 -0.013 0.000 0.850 74 Q CB 0.014 28.722 28.738 -0.050 0.000 0.901 74 Q HN 0.176 nan 8.270 nan 0.000 0.429 75 S N 0.906 116.642 115.700 0.061 0.000 2.634 75 S HA 0.055 4.527 4.470 0.003 0.000 0.221 75 S C -0.318 174.333 174.600 0.085 0.000 0.952 75 S CA -0.235 58.022 58.200 0.094 0.000 0.930 75 S CB -0.279 63.022 63.200 0.169 0.000 0.780 75 S HN 0.457 nan 8.310 nan 0.000 0.498 76 N N 1.495 120.234 118.700 0.065 0.000 2.642 76 N HA -0.178 4.564 4.740 0.003 0.000 0.269 76 N C -0.610 174.941 175.510 0.068 0.000 1.073 76 N CA 0.659 53.742 53.050 0.055 0.000 0.748 76 N CB -0.822 37.690 38.487 0.041 0.000 0.894 76 N HN 0.495 nan 8.380 nan 0.000 0.548 77 A N 0.554 123.428 122.820 0.089 0.000 2.413 77 A HA 0.641 4.963 4.320 0.003 0.000 0.307 77 A C -0.168 177.470 177.584 0.091 0.000 1.087 77 A CA -0.805 51.289 52.037 0.096 0.000 0.750 77 A CB 1.362 20.447 19.000 0.142 0.000 1.296 77 A HN 0.267 nan 8.150 nan 0.000 0.423 78 K N 1.368 121.808 120.400 0.068 0.000 2.297 78 K HA 0.385 4.707 4.320 0.003 0.000 0.286 78 K C 0.110 176.744 176.600 0.056 0.000 1.053 78 K CA -0.141 56.176 56.287 0.051 0.000 0.940 78 K CB 0.390 32.905 32.500 0.025 0.000 1.019 78 K HN 0.773 nan 8.250 nan 0.000 0.475 79 T N 1.639 116.230 114.554 0.063 0.000 2.649 79 T HA 0.257 4.609 4.350 0.003 0.000 0.337 79 T C 0.535 175.161 174.700 -0.123 0.000 1.070 79 T CA 0.244 62.367 62.100 0.038 0.000 1.052 79 T CB 0.723 69.626 68.868 0.058 0.000 0.994 79 T HN 0.879 nan 8.240 nan 0.000 0.544 80 G N -0.479 108.085 108.800 -0.393 0.000 2.490 80 G HA2 0.459 4.421 3.960 0.003 0.000 0.308 80 G HA3 0.459 4.421 3.960 0.003 0.000 0.308 80 G C -1.805 172.726 174.900 -0.616 0.000 1.286 80 G CA -0.980 43.889 45.100 -0.385 0.000 0.825 80 G HN 0.527 nan 8.290 nan 0.000 0.479 81 K N 0.807 120.995 120.400 -0.354 0.000 2.284 81 K HA 0.374 4.696 4.320 0.003 0.000 0.287 81 K C -1.224 175.285 176.600 -0.152 0.000 1.081 81 K CA -0.096 56.053 56.287 -0.231 0.000 0.910 81 K CB 0.766 33.221 32.500 -0.075 0.000 1.088 81 K HN 0.375 nan 8.250 nan 0.000 0.478 82 Y N 1.691 122.070 120.300 0.132 0.000 2.310 82 Y HA 0.231 4.782 4.550 0.002 0.000 0.326 82 Y C 0.463 176.599 175.900 0.393 0.000 1.151 82 Y CA -0.472 57.772 58.100 0.241 0.000 1.195 82 Y CB 1.023 39.608 38.460 0.209 0.000 1.210 82 Y HN 0.490 nan 8.280 nan 0.000 0.483 83 E N 1.922 122.451 120.200 0.547 0.000 2.408 83 E HA 0.460 4.812 4.350 0.003 0.000 0.275 83 E C -1.574 175.007 176.600 -0.033 0.000 0.935 83 E CA -1.000 55.575 56.400 0.291 0.000 0.775 83 E CB 2.753 32.540 29.700 0.146 0.000 1.277 83 E HN 0.423 nan 8.360 nan 0.000 0.455 84 L N 2.019 122.966 121.223 -0.461 0.000 2.272 84 L HA 0.461 4.803 4.340 0.003 0.000 0.289 84 L C 0.524 177.319 176.870 -0.125 0.000 1.032 84 L CA -0.316 54.225 54.840 -0.498 0.000 0.810 84 L CB 1.062 42.590 42.059 -0.885 0.000 1.205 84 L HN 0.705 nan 8.230 nan 0.000 0.422 85 G N 2.781 111.594 108.800 0.022 0.000 2.553 85 G HA2 0.115 4.077 3.960 0.003 0.000 0.278 85 G HA3 0.115 4.077 3.960 0.003 0.000 0.278 85 G C -0.466 174.506 174.900 0.119 0.000 1.349 85 G CA -0.403 44.740 45.100 0.073 0.000 1.037 85 G HN 0.647 nan 8.290 nan 0.000 0.508 86 E N -0.551 119.703 120.200 0.091 0.000 2.331 86 E HA 0.471 4.823 4.350 0.003 0.000 0.272 86 E C 0.359 176.970 176.600 0.019 0.000 1.036 86 E CA -0.642 55.795 56.400 0.062 0.000 0.864 86 E CB 0.927 30.652 29.700 0.042 0.000 1.035 86 E HN 0.546 nan 8.360 nan 0.000 0.408 87 A N 3.968 126.644 122.820 -0.239 0.000 2.477 87 A HA 0.340 4.662 4.320 0.003 0.000 0.246 87 A C -0.546 176.997 177.584 -0.068 0.000 1.078 87 A CA -0.176 51.560 52.037 -0.502 0.000 0.770 87 A CB -0.233 18.101 19.000 -1.110 0.000 1.011 87 A HN 0.525 nan 8.150 nan 0.000 0.494 88 F N 0.330 120.231 119.950 -0.082 0.000 2.594 88 F HA 0.896 5.424 4.527 0.003 0.000 0.335 88 F C -0.227 175.614 175.800 0.068 0.000 1.058 88 F CA -1.437 56.566 58.000 0.004 0.000 0.981 88 F CB 1.323 40.323 39.000 -0.001 0.000 1.289 88 F HN 0.404 nan 8.300 nan 0.000 0.490 89 K N 0.946 121.452 120.400 0.176 0.000 2.350 89 K HA 0.722 5.043 4.320 0.003 0.000 0.241 89 K C -1.281 175.280 176.600 -0.066 0.000 0.994 89 K CA -0.549 55.707 56.287 -0.051 0.000 0.839 89 K CB 2.570 34.962 32.500 -0.180 0.000 1.244 89 K HN 0.645 nan 8.250 nan 0.000 0.443 90 I N 1.489 121.885 120.570 -0.290 0.000 2.693 90 I HA 0.437 4.609 4.170 0.003 0.000 0.303 90 I C -1.168 174.625 176.117 -0.539 0.000 1.025 90 I CA -0.963 60.223 61.300 -0.190 0.000 1.086 90 I CB 1.265 39.266 38.000 0.002 0.000 1.268 90 I HN 0.463 nan 8.210 nan 0.000 0.440 91 Y N 2.685 123.017 120.300 0.054 0.000 2.512 91 Y HA 0.426 4.977 4.550 0.003 0.000 0.348 91 Y C -0.144 175.721 175.900 -0.057 0.000 0.990 91 Y CA -1.064 57.032 58.100 -0.006 0.000 1.033 91 Y CB 1.501 39.939 38.460 -0.037 0.000 1.259 91 Y HN 0.326 nan 8.280 nan 0.000 0.461 92 K N 1.117 121.578 120.400 0.100 0.000 2.180 92 K HA 0.145 4.467 4.320 0.003 0.000 0.251 92 K C 0.174 176.819 176.600 0.075 0.000 1.014 92 K CA -0.157 56.185 56.287 0.093 0.000 0.913 92 K CB 0.402 32.944 32.500 0.070 0.000 1.008 92 K HN 0.607 nan 8.250 nan 0.000 0.490 93 F N 1.369 121.385 119.950 0.110 0.000 2.333 93 F HA -0.176 4.353 4.527 0.003 0.000 0.300 93 F C 1.958 177.789 175.800 0.051 0.000 1.083 93 F CA 0.985 59.021 58.000 0.060 0.000 1.395 93 F CB -0.338 38.669 39.000 0.012 0.000 1.056 93 F HN 0.586 nan 8.300 nan 0.000 0.529 94 N N -0.023 118.811 118.700 0.223 0.000 2.461 94 N HA 0.097 4.839 4.740 0.003 0.000 0.188 94 N C 1.530 177.094 175.510 0.090 0.000 1.134 94 N CA 0.978 54.109 53.050 0.136 0.000 0.878 94 N CB 0.036 38.594 38.487 0.118 0.000 0.972 94 N HN 0.323 nan 8.380 nan 0.000 0.456 95 G N -0.272 108.584 108.800 0.093 0.000 2.213 95 G HA2 -0.306 3.656 3.960 0.003 0.000 0.236 95 G HA3 -0.306 3.656 3.960 0.003 0.000 0.236 95 G C -0.258 174.731 174.900 0.148 0.000 0.991 95 G CA 0.129 45.278 45.100 0.080 0.000 0.629 95 G HN 0.606 nan 8.290 nan 0.000 0.517 96 E N 1.174 121.442 120.200 0.113 0.000 2.415 96 E HA 0.336 4.687 4.350 0.003 0.000 0.263 96 E C 0.144 176.814 176.600 0.117 0.000 0.995 96 E CA -0.147 56.301 56.400 0.080 0.000 0.915 96 E CB 0.295 29.990 29.700 -0.008 0.000 0.951 96 E HN 0.446 nan 8.360 nan 0.000 0.449 97 E N 4.461 124.711 120.200 0.083 0.000 2.200 97 E HA -0.010 4.342 4.350 0.003 0.000 0.283 97 E C -0.531 175.977 176.600 -0.152 0.000 1.015 97 E CA -0.651 55.694 56.400 -0.092 0.000 0.819 97 E CB 0.811 30.495 29.700 -0.028 0.000 1.081 97 E HN 0.525 nan 8.360 nan 0.000 0.397 98 D N 3.276 123.545 120.400 -0.218 0.000 2.488 98 D HA -0.097 4.545 4.640 0.003 0.000 0.238 98 D C 0.571 176.788 176.300 -0.138 0.000 1.138 98 D CA 0.009 53.971 54.000 -0.063 0.000 0.873 98 D CB 0.709 41.549 40.800 0.066 0.000 1.183 98 D HN 0.591 nan 8.370 nan 0.000 0.458 99 N N 1.291 119.939 118.700 -0.088 0.000 2.571 99 N HA -0.074 4.667 4.740 0.003 0.000 0.189 99 N C -0.478 174.844 175.510 -0.312 0.000 1.154 99 N CA -0.156 52.795 53.050 -0.165 0.000 0.907 99 N CB 0.284 38.729 38.487 -0.071 0.000 0.977 99 N HN 0.014 nan 8.380 nan 0.000 0.449 100 S N -1.008 114.419 115.700 -0.454 0.000 2.739 100 S HA 0.522 4.994 4.470 0.003 0.000 0.306 100 S C -1.153 172.930 174.600 -0.861 0.000 1.115 100 S CA -0.656 57.191 58.200 -0.589 0.000 0.985 100 S CB 0.706 63.432 63.200 -0.790 0.000 1.133 100 S HN 0.165 nan 8.310 nan 0.000 0.541 101 Y N 0.334 120.302 120.300 -0.553 0.000 2.376 101 Y HA 0.505 5.057 4.550 0.003 0.000 0.340 101 Y C -1.096 174.349 175.900 -0.757 0.000 0.965 101 Y CA -0.787 57.004 58.100 -0.514 0.000 1.078 101 Y CB 0.907 39.166 38.460 -0.334 0.000 1.193 101 Y HN 0.508 nan 8.280 nan 0.000 0.452 102 Y N 2.505 122.516 120.300 -0.482 0.000 2.328 102 Y HA 0.463 5.015 4.550 0.003 0.000 0.337 102 Y C -1.083 174.514 175.900 -0.504 0.000 0.966 102 Y CA -1.384 56.385 58.100 -0.552 0.000 1.136 102 Y CB 0.758 38.561 38.460 -1.095 0.000 1.170 102 Y HN 0.485 nan 8.280 nan 0.000 0.470 103 Y N 4.137 124.431 120.300 -0.011 0.000 2.335 103 Y HA 0.457 5.008 4.550 0.003 0.000 0.338 103 Y C -2.376 173.633 175.900 0.182 0.000 0.977 103 Y CA -2.958 55.184 58.100 0.069 0.000 1.114 103 Y CB 1.556 39.999 38.460 -0.028 0.000 1.182 103 Y HN 0.424 nan 8.280 nan 0.000 0.463 104 P HA 0.116 nan 4.420 nan 0.000 0.276 104 P C -0.988 176.451 177.300 0.232 0.000 1.230 104 P CA -0.152 63.132 63.100 0.307 0.000 0.776 104 P CB 0.886 32.725 31.700 0.233 0.000 0.888 105 V N 5.745 125.808 119.914 0.249 0.000 2.328 105 V HA 0.312 4.434 4.120 0.003 0.000 0.278 105 V C 0.327 176.563 176.094 0.235 0.000 1.021 105 V CA -0.331 62.130 62.300 0.268 0.000 0.838 105 V CB 0.563 32.608 31.823 0.371 0.000 0.999 105 V HN 0.401 nan 8.190 nan 0.000 0.447 106 I N 4.911 125.614 120.570 0.221 0.000 2.392 106 I HA 0.496 4.668 4.170 0.003 0.000 0.295 106 I C 0.076 176.335 176.117 0.237 0.000 0.985 106 I CA -0.469 60.937 61.300 0.176 0.000 1.221 106 I CB 1.423 39.493 38.000 0.117 0.000 1.366 106 I HN 0.465 nan 8.210 nan 0.000 0.467 107 K N 6.022 126.514 120.400 0.154 0.000 2.483 107 K HA 0.181 4.503 4.320 0.003 0.000 0.256 107 K C -0.931 175.680 176.600 0.018 0.000 0.961 107 K CA -0.413 55.940 56.287 0.109 0.000 0.873 107 K CB 0.773 33.347 32.500 0.124 0.000 1.107 107 K HN 0.609 nan 8.250 nan 0.000 0.432 108 D N 3.705 124.098 120.400 -0.011 0.000 2.689 108 D HA -0.206 4.435 4.640 0.003 0.000 0.237 108 D C 0.730 177.032 176.300 0.002 0.000 1.148 108 D CA 1.800 55.790 54.000 -0.017 0.000 0.656 108 D CB -1.064 39.714 40.800 -0.037 0.000 1.050 108 D HN 1.110 nan 8.370 nan 0.000 0.426 109 G N -0.815 107.998 108.800 0.021 0.000 2.253 109 G HA2 -0.362 3.600 3.960 0.003 0.000 0.251 109 G HA3 -0.362 3.600 3.960 0.003 0.000 0.251 109 G C 0.349 175.260 174.900 0.018 0.000 0.998 109 G CA 0.687 45.798 45.100 0.019 0.000 0.621 109 G HN 0.491 nan 8.290 nan 0.000 0.524 110 K N 0.355 120.764 120.400 0.015 0.000 2.138 110 K HA 0.635 4.957 4.320 0.003 0.000 0.263 110 K C 0.227 176.836 176.600 0.014 0.000 0.965 110 K CA -0.831 55.460 56.287 0.006 0.000 0.868 110 K CB 1.715 34.209 32.500 -0.010 0.000 1.083 110 K HN 0.222 nan 8.250 nan 0.000 0.443 111 I N 3.838 124.415 120.570 0.011 0.000 2.421 111 I HA -0.059 4.113 4.170 0.003 0.000 0.291 111 I C 1.248 177.351 176.117 -0.023 0.000 1.089 111 I CA -0.114 61.201 61.300 0.026 0.000 1.354 111 I CB 0.501 38.522 38.000 0.035 0.000 1.413 111 I HN 0.528 nan 8.210 nan 0.000 0.513 112 V N 3.853 123.718 119.914 -0.083 0.000 3.455 112 V HA 0.259 4.381 4.120 0.003 0.000 0.250 112 V C 0.070 175.939 176.094 -0.374 0.000 1.230 112 V CA 0.404 62.520 62.300 -0.308 0.000 1.105 112 V CB -0.348 31.144 31.823 -0.552 0.000 0.850 112 V HN 0.529 nan 8.190 nan 0.000 0.461 113 Y N -0.131 120.259 120.300 0.149 0.000 2.669 113 Y HA 0.809 5.360 4.550 0.002 0.000 0.335 113 Y C -0.122 175.897 175.900 0.198 0.000 1.116 113 Y CA -1.265 56.932 58.100 0.161 0.000 1.081 113 Y CB 1.589 40.137 38.460 0.148 0.000 1.297 113 Y HN -0.167 nan 8.280 nan 0.000 0.484 114 T N 2.202 117.014 114.554 0.429 0.000 2.879 114 T HA 0.442 4.794 4.350 0.003 0.000 0.290 114 T C -1.627 173.254 174.700 0.302 0.000 0.993 114 T CA -0.437 61.898 62.100 0.391 0.000 0.975 114 T CB 1.201 70.369 68.868 0.500 0.000 0.981 114 T HN 0.380 nan 8.240 nan 0.000 0.439 115 L N 3.821 125.192 121.223 0.247 0.000 2.264 115 L HA 0.553 4.895 4.340 0.003 0.000 0.289 115 L C -0.095 176.825 176.870 0.082 0.000 1.044 115 L CA 0.217 55.125 54.840 0.113 0.000 0.807 115 L CB 0.974 43.057 42.059 0.041 0.000 1.192 115 L HN 0.618 nan 8.230 nan 0.000 0.425 116 T N 6.122 120.669 114.554 -0.011 0.000 2.771 116 T HA 0.492 4.844 4.350 0.003 0.000 0.281 116 T C -0.443 174.170 174.700 -0.146 0.000 0.982 116 T CA -0.469 61.531 62.100 -0.166 0.000 0.978 116 T CB 0.958 69.723 68.868 -0.172 0.000 0.930 116 T HN 0.263 nan 8.240 nan 0.000 0.447 117 L N 3.489 124.618 121.223 -0.156 0.000 2.280 117 L HA 0.583 4.925 4.340 0.003 0.000 0.287 117 L C 0.102 177.009 176.870 0.061 0.000 1.023 117 L CA -0.283 54.548 54.840 -0.016 0.000 0.819 117 L CB 1.162 43.203 42.059 -0.030 0.000 1.212 117 L HN 0.686 nan 8.230 nan 0.000 0.420 118 S N 3.588 119.361 115.700 0.122 0.000 2.661 118 S HA 0.598 5.070 4.470 0.003 0.000 0.285 118 S C -2.640 171.949 174.600 -0.017 0.000 1.138 118 S CA -1.333 56.876 58.200 0.014 0.000 0.855 118 S CB 2.396 65.511 63.200 -0.142 0.000 1.136 118 S HN 0.350 nan 8.310 nan 0.000 0.484 119 P HA 0.122 nan 4.420 nan 0.000 0.262 119 P C 0.268 177.510 177.300 -0.097 0.000 1.182 119 P CA 0.160 63.110 63.100 -0.251 0.000 0.761 119 P CB 0.450 32.055 31.700 -0.158 0.000 0.795 120 K N 2.705 123.045 120.400 -0.099 0.000 2.031 120 K HA -0.073 4.249 4.320 0.003 0.000 0.205 120 K C 0.203 176.814 176.600 0.017 0.000 1.049 120 K CA 1.387 57.668 56.287 -0.009 0.000 0.939 120 K CB 0.106 32.604 32.500 -0.004 0.000 0.717 120 K HN 0.489 nan 8.250 nan 0.000 0.438 121 N N -1.632 117.066 118.700 -0.003 0.000 2.697 121 N HA 0.162 4.904 4.740 0.003 0.000 0.272 121 N C -0.436 175.082 175.510 0.015 0.000 1.381 121 N CA -0.779 52.283 53.050 0.020 0.000 0.797 121 N CB 1.374 39.869 38.487 0.013 0.000 1.523 121 N HN -0.235 nan 8.380 nan 0.000 0.518 122 K N 0.334 120.753 120.400 0.031 0.000 2.034 122 K HA -0.256 4.066 4.320 0.003 0.000 0.214 122 K C 0.926 177.530 176.600 0.008 0.000 1.051 122 K CA 1.650 57.954 56.287 0.027 0.000 0.931 122 K CB -0.174 32.346 32.500 0.034 0.000 0.715 122 K HN 0.577 nan 8.250 nan 0.000 0.446 123 D N 1.046 121.447 120.400 0.002 0.000 2.203 123 D HA -0.204 4.438 4.640 0.003 0.000 0.199 123 D C 1.181 177.468 176.300 -0.021 0.000 0.997 123 D CA 1.229 55.225 54.000 -0.007 0.000 0.863 123 D CB 0.012 40.808 40.800 -0.007 0.000 0.928 123 D HN 0.207 nan 8.370 nan 0.000 0.458 124 D N -0.106 120.273 120.400 -0.035 0.000 2.277 124 D HA -0.044 4.598 4.640 0.003 0.000 0.208 124 D C 2.127 178.388 176.300 -0.065 0.000 0.962 124 D CA 0.078 54.036 54.000 -0.070 0.000 0.865 124 D CB 0.094 40.822 40.800 -0.120 0.000 0.939 124 D HN 0.365 nan 8.370 nan 0.000 0.510 125 L N 0.587 121.789 121.223 -0.035 0.000 2.549 125 L HA -0.062 4.279 4.340 0.003 0.000 0.229 125 L C 1.468 178.329 176.870 -0.014 0.000 1.158 125 L CA 0.686 55.514 54.840 -0.020 0.000 0.842 125 L CB -0.297 41.764 42.059 0.004 0.000 0.952 125 L HN 0.013 nan 8.230 nan 0.000 0.452 126 N N -0.978 117.712 118.700 -0.015 0.000 2.388 126 N HA 0.030 4.772 4.740 0.003 0.000 0.176 126 N C 0.329 175.833 175.510 -0.009 0.000 1.062 126 N CA -0.078 52.967 53.050 -0.008 0.000 0.895 126 N CB 0.500 38.985 38.487 -0.005 0.000 1.018 126 N HN 0.281 nan 8.380 nan 0.000 0.456 127 K N 1.057 121.445 120.400 -0.020 0.000 2.155 127 K HA 0.242 4.564 4.320 0.003 0.000 0.237 127 K C 0.392 176.987 176.600 -0.008 0.000 1.040 127 K CA -0.485 55.793 56.287 -0.016 0.000 0.912 127 K CB 0.810 33.294 32.500 -0.028 0.000 1.137 127 K HN -0.023 nan 8.250 nan 0.000 0.498 128 S N -0.332 115.373 115.700 0.009 0.000 2.693 128 S HA 0.170 4.642 4.470 0.003 0.000 0.276 128 S C 0.768 175.402 174.600 0.057 0.000 1.192 128 S CA -0.685 57.534 58.200 0.032 0.000 0.994 128 S CB 1.224 64.447 63.200 0.038 0.000 1.012 128 S HN 0.516 nan 8.310 nan 0.000 0.550 129 K N 0.426 120.889 120.400 0.106 0.000 2.152 129 K HA -0.103 4.219 4.320 0.003 0.000 0.206 129 K C 1.670 178.409 176.600 0.232 0.000 1.048 129 K CA 1.455 57.871 56.287 0.215 0.000 0.933 129 K CB -0.131 32.514 32.500 0.241 0.000 0.721 129 K HN 0.572 nan 8.250 nan 0.000 0.447 130 E N 0.739 121.019 120.200 0.133 0.000 2.170 130 E HA -0.090 4.262 4.350 0.003 0.000 0.191 130 E C 1.252 177.910 176.600 0.098 0.000 0.981 130 E CA 0.930 57.391 56.400 0.103 0.000 0.830 130 E CB 0.066 29.801 29.700 0.059 0.000 0.775 130 E HN 0.352 nan 8.360 nan 0.000 0.470 131 D N 0.632 121.075 120.400 0.070 0.000 2.327 131 D HA 0.028 4.669 4.640 0.003 0.000 0.205 131 D C 1.361 177.672 176.300 0.017 0.000 0.989 131 D CA 0.088 54.112 54.000 0.041 0.000 0.873 131 D CB 0.136 40.949 40.800 0.022 0.000 0.955 131 D HN 0.251 nan 8.370 nan 0.000 0.515 132 M N 0.436 120.024 119.600 -0.020 0.000 2.232 132 M HA 0.180 4.662 4.480 0.003 0.000 0.321 132 M C -0.023 176.178 176.300 -0.165 0.000 1.101 132 M CA 0.086 55.301 55.300 -0.142 0.000 1.181 132 M CB 0.629 33.057 32.600 -0.288 0.000 1.432 132 M HN -0.360 nan 8.290 nan 0.000 0.457 133 N N 1.318 119.911 118.700 -0.178 0.000 2.498 133 N HA 0.368 5.110 4.740 0.003 0.000 0.287 133 N C -1.754 173.629 175.510 -0.212 0.000 1.097 133 N CA -0.140 52.862 53.050 -0.080 0.000 0.973 133 N CB 0.949 39.416 38.487 -0.032 0.000 1.153 133 N HN 0.587 nan 8.380 nan 0.000 0.472 134 Y N -0.236 120.061 120.300 -0.004 0.000 2.393 134 Y HA 0.226 4.778 4.550 0.003 0.000 0.341 134 Y C 0.895 176.791 175.900 -0.006 0.000 0.988 134 Y CA -0.810 57.286 58.100 -0.008 0.000 1.078 134 Y CB 1.372 39.819 38.460 -0.022 0.000 1.203 134 Y HN 0.403 nan 8.280 nan 0.000 0.453 135 S N 1.259 117.045 115.700 0.144 0.000 2.632 135 S HA 0.759 5.231 4.470 0.003 0.000 0.271 135 S C -0.808 173.839 174.600 0.077 0.000 1.260 135 S CA -0.707 57.559 58.200 0.110 0.000 1.010 135 S CB 1.361 64.627 63.200 0.110 0.000 0.965 135 S HN 0.367 nan 8.310 nan 0.000 0.534 136 V N 2.234 122.173 119.914 0.042 0.000 2.459 136 V HA 0.616 4.738 4.120 0.003 0.000 0.295 136 V C -0.019 176.037 176.094 -0.063 0.000 1.029 136 V CA -0.648 61.570 62.300 -0.138 0.000 0.874 136 V CB 1.382 32.967 31.823 -0.397 0.000 0.985 136 V HN 1.008 nan 8.190 nan 0.000 0.438 137 K N 4.764 125.117 120.400 -0.078 0.000 2.426 137 K HA 0.747 5.068 4.320 0.003 0.000 0.251 137 K C -1.846 174.785 176.600 0.051 0.000 0.941 137 K CA -0.706 55.643 56.287 0.102 0.000 0.808 137 K CB 2.843 35.422 32.500 0.130 0.000 1.265 137 K HN 0.675 nan 8.250 nan 0.000 0.432 138 I N 2.187 122.854 120.570 0.162 0.000 2.647 138 I HA 0.449 4.621 4.170 0.003 0.000 0.295 138 I C -1.222 174.908 176.117 0.021 0.000 1.078 138 I CA -0.100 61.257 61.300 0.096 0.000 1.048 138 I CB 2.039 40.112 38.000 0.123 0.000 1.239 138 I HN 0.990 nan 8.210 nan 0.000 0.421 139 S N 3.490 119.229 115.700 0.064 0.000 2.683 139 S HA 0.308 4.780 4.470 0.003 0.000 0.269 139 S C -0.605 174.153 174.600 0.263 0.000 1.165 139 S CA -0.629 57.627 58.200 0.092 0.000 0.840 139 S CB 1.029 64.307 63.200 0.129 0.000 1.169 139 S HN 0.700 nan 8.310 nan 0.000 0.490 140 N N 0.240 119.127 118.700 0.312 0.000 2.276 140 N HA 0.140 4.882 4.740 0.003 0.000 0.212 140 N C -0.261 175.414 175.510 0.276 0.000 1.127 140 N CA -0.574 52.696 53.050 0.366 0.000 0.834 140 N CB -0.659 38.020 38.487 0.319 0.000 1.014 140 N HN 0.549 nan 8.380 nan 0.000 0.491 141 F N 3.793 123.833 119.950 0.149 0.000 2.473 141 F HA -0.116 4.413 4.527 0.003 0.000 0.405 141 F C 1.524 177.367 175.800 0.072 0.000 0.988 141 F CA -0.093 57.953 58.000 0.077 0.000 1.096 141 F CB -0.311 38.731 39.000 0.070 0.000 0.944 141 F HN 0.295 nan 8.300 nan 0.000 0.530 142 I N 2.801 123.038 120.570 -0.554 0.000 5.839 142 I HA -0.432 3.740 4.170 0.003 0.000 0.194 142 I C 1.097 177.115 176.117 -0.164 0.000 1.676 142 I CA 0.949 61.961 61.300 -0.480 0.000 2.300 142 I CB -2.167 35.383 38.000 -0.750 0.000 3.105 142 I HN 0.594 nan 8.210 nan 0.000 0.327 143 A N 0.929 123.728 122.820 -0.033 0.000 1.877 143 A HA -0.147 4.175 4.320 0.003 0.000 0.216 143 A C 2.250 179.833 177.584 -0.002 0.000 1.186 143 A CA 1.880 53.938 52.037 0.035 0.000 0.620 143 A CB -0.390 18.663 19.000 0.088 0.000 0.822 143 A HN 0.545 nan 8.150 nan 0.000 0.443 144 K N 0.299 120.687 120.400 -0.021 0.000 2.063 144 K HA -0.158 4.164 4.320 0.003 0.000 0.208 144 K C 1.588 178.169 176.600 -0.031 0.000 1.048 144 K CA 1.635 57.906 56.287 -0.028 0.000 0.928 144 K CB -0.584 31.896 32.500 -0.033 0.000 0.713 144 K HN 0.591 nan 8.250 nan 0.000 0.442 145 D N 0.794 121.157 120.400 -0.061 0.000 2.117 145 D HA -0.153 4.489 4.640 0.003 0.000 0.197 145 D C 2.127 178.500 176.300 0.122 0.000 0.987 145 D CA 0.950 54.925 54.000 -0.041 0.000 0.829 145 D CB -0.046 40.601 40.800 -0.255 0.000 0.961 145 D HN 0.167 nan 8.370 nan 0.000 0.460 146 L N 0.584 121.870 121.223 0.104 0.000 2.109 146 L HA -0.145 4.197 4.340 0.003 0.000 0.207 146 L C 2.277 179.146 176.870 -0.001 0.000 1.086 146 L CA 0.861 55.723 54.840 0.037 0.000 0.760 146 L CB -0.289 41.739 42.059 -0.052 0.000 0.910 146 L HN -0.077 nan 8.230 nan 0.000 0.437 147 D N -0.057 120.344 120.400 0.002 0.000 2.123 147 D HA -0.240 4.401 4.640 0.003 0.000 0.196 147 D C 2.218 178.514 176.300 -0.006 0.000 0.992 147 D CA 1.318 55.315 54.000 -0.006 0.000 0.833 147 D CB 0.098 40.893 40.800 -0.009 0.000 0.954 147 D HN 0.232 nan 8.370 nan 0.000 0.455 148 Q N -0.679 119.121 119.800 0.000 0.000 2.297 148 Q HA -0.089 4.253 4.340 0.003 0.000 0.208 148 Q C 1.564 177.564 176.000 0.000 0.000 0.981 148 Q CA 1.113 56.916 55.803 -0.000 0.000 0.876 148 Q CB -0.051 28.688 28.738 0.000 0.000 0.921 148 Q HN 0.639 nan 8.270 nan 0.000 0.446 149 I N -2.984 117.587 120.570 0.001 0.000 3.947 149 I HA 0.155 4.327 4.170 0.003 0.000 0.327 149 I C 1.227 177.322 176.117 -0.037 0.000 1.519 149 I CA -0.344 60.948 61.300 -0.013 0.000 1.122 149 I CB 0.201 38.198 38.000 -0.004 0.000 1.146 149 I HN -0.069 nan 8.210 nan 0.000 0.442 150 K N 0.383 120.762 120.400 -0.034 0.000 2.209 150 K HA -0.092 4.230 4.320 0.003 0.000 0.204 150 K C 0.643 177.221 176.600 -0.037 0.000 1.048 150 K CA 1.695 57.956 56.287 -0.043 0.000 0.940 150 K CB -0.182 32.300 32.500 -0.029 0.000 0.729 150 K HN 0.315 nan 8.250 nan 0.000 0.451 151 D N 0.980 121.364 120.400 -0.027 0.000 2.367 151 D HA -0.007 4.635 4.640 0.003 0.000 0.207 151 D C 0.075 176.360 176.300 -0.025 0.000 1.034 151 D CA 0.196 54.183 54.000 -0.023 0.000 0.861 151 D CB 0.254 41.044 40.800 -0.016 0.000 0.943 151 D HN 0.232 nan 8.370 nan 0.000 0.515 152 K N 1.669 122.052 120.400 -0.027 0.000 2.485 152 K HA -0.047 4.275 4.320 0.003 0.000 0.277 152 K C 0.265 176.846 176.600 -0.033 0.000 0.990 152 K CA -0.091 56.180 56.287 -0.027 0.000 0.994 152 K CB 0.378 32.862 32.500 -0.026 0.000 0.906 152 K HN -0.243 nan 8.250 nan 0.000 0.488 153 N N 2.380 121.063 118.700 -0.028 0.000 3.298 153 N HA 0.039 4.781 4.740 0.003 0.000 0.292 153 N C -1.531 173.959 175.510 -0.033 0.000 1.271 153 N CA -0.174 52.858 53.050 -0.029 0.000 1.184 153 N CB 0.200 38.674 38.487 -0.022 0.000 1.452 153 N HN 0.599 nan 8.380 nan 0.000 0.534 154 S N 0.255 115.929 115.700 -0.044 0.000 2.880 154 S HA 0.561 5.033 4.470 0.003 0.000 0.308 154 S C -1.212 173.347 174.600 -0.068 0.000 1.195 154 S CA -1.070 57.102 58.200 -0.048 0.000 0.866 154 S CB 1.279 64.454 63.200 -0.042 0.000 1.254 154 S HN 0.404 nan 8.310 nan 0.000 0.571 155 N N -0.045 118.609 118.700 -0.075 0.000 2.357 155 N HA 0.671 5.413 4.740 0.003 0.000 0.284 155 N C -0.975 174.460 175.510 -0.124 0.000 1.236 155 N CA -0.798 52.192 53.050 -0.101 0.000 0.774 155 N CB 1.874 40.313 38.487 -0.079 0.000 1.534 155 N HN 1.059 nan 8.380 nan 0.000 0.478 156 I N -3.302 117.159 120.570 -0.181 0.000 3.095 156 I HA 0.627 4.798 4.170 0.003 0.000 0.310 156 I C -1.179 174.819 176.117 -0.198 0.000 1.196 156 I CA -0.752 60.417 61.300 -0.219 0.000 0.985 156 I CB 2.448 40.188 38.000 -0.435 0.000 1.250 156 I HN 0.332 nan 8.210 nan 0.000 0.446 157 T N 2.749 117.217 114.554 -0.143 0.000 2.812 157 T HA 0.486 4.838 4.350 0.003 0.000 0.282 157 T C -0.388 174.305 174.700 -0.012 0.000 0.990 157 T CA -0.470 61.589 62.100 -0.067 0.000 0.960 157 T CB 1.730 70.570 68.868 -0.046 0.000 0.948 157 T HN 0.414 nan 8.240 nan 0.000 0.438 158 V N 5.523 125.471 119.914 0.057 0.000 2.408 158 V HA 0.391 4.513 4.120 0.003 0.000 0.267 158 V C 0.018 176.255 176.094 0.237 0.000 1.047 158 V CA -0.447 61.967 62.300 0.190 0.000 0.937 158 V CB 0.057 32.005 31.823 0.208 0.000 0.999 158 V HN 0.696 nan 8.190 nan 0.000 0.472 159 L N 3.980 125.341 121.223 0.230 0.000 2.304 159 L HA 0.877 5.219 4.340 0.003 0.000 0.268 159 L C 0.062 177.072 176.870 0.234 0.000 1.010 159 L CA -0.356 54.510 54.840 0.043 0.000 0.813 159 L CB 2.334 44.123 42.059 -0.449 0.000 1.315 159 L HN 0.624 nan 8.230 nan 0.000 0.445 160 T N -0.366 114.250 114.554 0.104 0.000 2.982 160 T HA 0.522 4.874 4.350 0.003 0.000 0.321 160 T C -1.962 172.956 174.700 0.364 0.000 1.229 160 T CA -0.612 61.587 62.100 0.166 0.000 1.044 160 T CB 1.405 70.182 68.868 -0.151 0.000 1.184 160 T HN 0.834 nan 8.240 nan 0.000 0.477 161 D N 1.931 122.578 120.400 0.413 0.000 2.781 161 D HA 0.408 5.049 4.640 0.003 0.000 0.295 161 D C 0.775 177.066 176.300 -0.015 0.000 1.143 161 D CA -0.565 53.653 54.000 0.364 0.000 1.076 161 D CB 0.220 41.168 40.800 0.246 0.000 1.444 161 D HN 0.423 nan 8.370 nan 0.000 0.567 162 E N -0.466 119.465 120.200 -0.448 0.000 2.209 162 E HA -0.103 4.249 4.350 0.003 0.000 0.196 162 E C 1.051 177.498 176.600 -0.254 0.000 0.993 162 E CA 1.332 57.454 56.400 -0.463 0.000 0.819 162 E CB -0.137 29.236 29.700 -0.546 0.000 0.745 162 E HN 0.373 nan 8.360 nan 0.000 0.477 163 K N -0.664 119.634 120.400 -0.171 0.000 2.358 163 K HA 0.292 4.614 4.320 0.003 0.000 0.197 163 K C 0.426 176.867 176.600 -0.265 0.000 1.025 163 K CA 0.286 56.467 56.287 -0.177 0.000 1.104 163 K CB 1.159 33.613 32.500 -0.077 0.000 0.855 163 K HN 0.177 nan 8.250 nan 0.000 0.531 164 G N 0.282 108.895 108.800 -0.312 0.000 2.332 164 G HA2 0.082 4.044 3.960 0.003 0.000 0.265 164 G HA3 0.082 4.044 3.960 0.003 0.000 0.265 164 G C -1.821 172.684 174.900 -0.658 0.000 1.329 164 G CA -1.061 43.739 45.100 -0.502 0.000 0.949 164 G HN 0.001 nan 8.290 nan 0.000 0.476 165 F N 0.019 119.715 119.950 -0.422 0.000 2.546 165 F HA 0.860 5.389 4.527 0.003 0.000 0.320 165 F C -0.332 175.123 175.800 -0.575 0.000 1.076 165 F CA -0.559 57.301 58.000 -0.233 0.000 0.928 165 F CB 2.253 41.246 39.000 -0.012 0.000 1.189 165 F HN 0.477 nan 8.300 nan 0.000 0.465 166 Y N 0.649 121.083 120.300 0.223 0.000 2.638 166 Y HA 0.648 5.200 4.550 0.004 0.000 0.339 166 Y C -1.201 174.893 175.900 0.323 0.000 1.084 166 Y CA -1.689 56.502 58.100 0.152 0.000 1.068 166 Y CB 1.373 39.949 38.460 0.193 0.000 1.294 166 Y HN 0.248 nan 8.280 nan 0.000 0.480 167 F N 0.986 121.042 119.950 0.175 0.000 2.482 167 F HA 0.350 4.879 4.527 0.003 0.000 0.331 167 F C -0.023 175.820 175.800 0.073 0.000 1.115 167 F CA -1.809 56.231 58.000 0.066 0.000 0.955 167 F CB 1.965 40.966 39.000 0.001 0.000 1.136 167 F HN 0.438 nan 8.300 nan 0.000 0.452 168 E N 3.465 123.777 120.200 0.186 0.000 2.092 168 E HA 0.214 4.566 4.350 0.003 0.000 0.271 168 E C -1.187 175.443 176.600 0.050 0.000 0.919 168 E CA -0.093 56.372 56.400 0.107 0.000 0.760 168 E CB 1.086 30.818 29.700 0.053 0.000 1.106 168 E HN 0.764 nan 8.360 nan 0.000 0.408 169 E N 3.898 124.136 120.200 0.063 0.000 2.234 169 E HA 0.133 4.485 4.350 0.003 0.000 0.266 169 E C -1.036 175.577 176.600 0.022 0.000 0.877 169 E CA -0.557 55.859 56.400 0.026 0.000 0.758 169 E CB 0.835 30.561 29.700 0.043 0.000 1.170 169 E HN 0.483 nan 8.360 nan 0.000 0.415 170 D N 3.352 123.754 120.400 0.004 0.000 2.686 170 D HA -0.229 4.413 4.640 0.003 0.000 0.235 170 D C 0.775 177.081 176.300 0.010 0.000 1.160 170 D CA 1.335 55.337 54.000 0.003 0.000 0.645 170 D CB -1.313 39.489 40.800 0.005 0.000 1.039 170 D HN 0.991 nan 8.370 nan 0.000 0.423 171 G N -0.486 108.321 108.800 0.012 0.000 2.220 171 G HA2 -0.388 3.574 3.960 0.003 0.000 0.269 171 G HA3 -0.388 3.574 3.960 0.003 0.000 0.269 171 G C 0.338 175.257 174.900 0.031 0.000 0.977 171 G CA 1.050 46.161 45.100 0.018 0.000 0.634 171 G HN 0.512 nan 8.290 nan 0.000 0.539 172 K N 0.029 120.452 120.400 0.039 0.000 2.138 172 K HA 0.613 4.935 4.320 0.003 0.000 0.263 172 K C -0.322 176.327 176.600 0.083 0.000 0.965 172 K CA -0.754 55.564 56.287 0.051 0.000 0.868 172 K CB 2.666 35.192 32.500 0.043 0.000 1.083 172 K HN 0.010 nan 8.250 nan 0.000 0.443 173 V N 3.962 123.933 119.914 0.096 0.000 2.370 173 V HA 0.377 4.499 4.120 0.003 0.000 0.283 173 V C -0.269 175.926 176.094 0.169 0.000 1.023 173 V CA -0.728 61.663 62.300 0.151 0.000 0.857 173 V CB 1.023 32.939 31.823 0.155 0.000 0.985 173 V HN 0.793 nan 8.190 nan 0.000 0.443 174 R N 4.133 124.765 120.500 0.221 0.000 2.686 174 R HA 0.748 5.090 4.340 0.003 0.000 0.286 174 R C -1.168 175.260 176.300 0.213 0.000 0.969 174 R CA -0.982 55.227 56.100 0.181 0.000 0.898 174 R CB 1.746 32.098 30.300 0.085 0.000 1.183 174 R HN 0.513 nan 8.270 nan 0.000 0.456 175 L N 3.469 124.782 121.223 0.149 0.000 2.462 175 L HA 0.101 4.443 4.340 0.003 0.000 0.272 175 L C -0.031 176.687 176.870 -0.253 0.000 1.166 175 L CA 0.444 55.217 54.840 -0.113 0.000 0.880 175 L CB 1.499 43.488 42.059 -0.117 0.000 1.142 175 L HN 0.764 nan 8.230 nan 0.000 0.473 176 V N 4.007 123.684 119.914 -0.395 0.000 3.455 176 V HA 0.242 4.364 4.120 0.003 0.000 0.250 176 V C 0.413 176.295 176.094 -0.354 0.000 1.230 176 V CA 0.263 62.280 62.300 -0.471 0.000 1.105 176 V CB -0.122 31.183 31.823 -0.864 0.000 0.850 176 V HN 0.818 nan 8.190 nan 0.000 0.461 177 K N 0.429 120.658 120.400 -0.285 0.000 2.588 177 K HA 0.639 4.961 4.320 0.003 0.000 0.250 177 K C -1.107 175.378 176.600 -0.191 0.000 0.972 177 K CA -0.271 55.920 56.287 -0.160 0.000 0.821 177 K CB 2.001 34.484 32.500 -0.027 0.000 1.249 177 K HN 0.144 nan 8.250 nan 0.000 0.442 178 A N 1.936 124.621 122.820 -0.224 0.000 2.310 178 A HA 0.492 4.814 4.320 0.003 0.000 0.299 178 A C -0.177 177.057 177.584 -0.584 0.000 1.147 178 A CA -0.401 51.444 52.037 -0.320 0.000 0.818 178 A CB 0.683 19.561 19.000 -0.204 0.000 1.096 178 A HN 0.687 nan 8.150 nan 0.000 0.495 179 T N 0.618 114.697 114.554 -0.792 0.000 3.327 179 T HA 0.546 4.898 4.350 0.003 0.000 0.373 179 T C -3.005 171.148 174.700 -0.912 0.000 1.589 179 T CA -1.765 59.372 62.100 -1.606 0.000 1.497 179 T CB 0.449 68.386 68.868 -1.552 0.000 1.032 179 T HN 0.317 nan 8.240 nan 0.000 0.640 180 P HA 0.446 nan 4.420 nan 0.000 0.271 180 P C -0.643 176.723 177.300 0.109 0.000 1.220 180 P CA -0.393 62.634 63.100 -0.121 0.000 0.768 180 P CB 0.712 32.383 31.700 -0.048 0.000 0.848 181 L N 1.630 122.883 121.223 0.050 0.000 2.350 181 L HA 0.548 4.890 4.340 0.003 0.000 0.260 181 L C 1.411 178.329 176.870 0.080 0.000 1.015 181 L CA -1.033 53.876 54.840 0.115 0.000 0.821 181 L CB 1.767 43.887 42.059 0.100 0.000 1.370 181 L HN 0.226 nan 8.230 nan 0.000 0.416 182 A N 0.989 123.874 122.820 0.108 0.000 2.084 182 A HA -0.180 4.142 4.320 0.003 0.000 0.221 182 A C 1.503 179.141 177.584 0.090 0.000 1.161 182 A CA 2.017 54.112 52.037 0.097 0.000 0.653 182 A CB -0.713 18.360 19.000 0.122 0.000 0.802 182 A HN 0.893 nan 8.150 nan 0.000 0.457 183 N N -0.525 118.231 118.700 0.092 0.000 2.280 183 N HA -0.056 4.686 4.740 0.003 0.000 0.192 183 N C 0.443 175.962 175.510 0.014 0.000 1.109 183 N CA 1.039 54.130 53.050 0.069 0.000 0.855 183 N CB -0.319 38.224 38.487 0.093 0.000 0.974 183 N HN 0.638 nan 8.380 nan 0.000 0.482 184 N N -0.474 118.221 118.700 -0.008 0.000 2.145 184 N HA 0.070 4.812 4.740 0.003 0.000 0.219 184 N C 1.277 176.758 175.510 -0.049 0.000 1.266 184 N CA -0.432 52.589 53.050 -0.049 0.000 0.902 184 N CB -0.201 38.231 38.487 -0.091 0.000 1.078 184 N HN -0.019 nan 8.380 nan 0.000 0.513 185 I N 1.863 122.413 120.570 -0.033 0.000 2.163 185 I HA -0.194 3.977 4.170 0.003 0.000 0.243 185 I C 1.099 177.193 176.117 -0.039 0.000 1.085 185 I CA 1.486 62.759 61.300 -0.044 0.000 1.347 185 I CB -0.038 37.937 38.000 -0.043 0.000 1.044 185 I HN 0.348 nan 8.210 nan 0.000 0.408 186 K N 0.211 120.597 120.400 -0.025 0.000 2.675 186 K HA 0.258 4.580 4.320 0.003 0.000 0.213 186 K C -0.281 176.304 176.600 -0.024 0.000 1.074 186 K CA -0.204 56.070 56.287 -0.021 0.000 1.172 186 K CB 0.068 32.562 32.500 -0.010 0.000 0.927 186 K HN 0.144 nan 8.250 nan 0.000 0.471 187 E N 1.440 121.619 120.200 -0.035 0.000 2.222 187 E HA 0.267 4.618 4.350 0.003 0.000 0.267 187 E C -0.769 175.802 176.600 -0.048 0.000 0.963 187 E CA -0.921 55.454 56.400 -0.043 0.000 0.837 187 E CB 1.628 31.294 29.700 -0.056 0.000 1.183 187 E HN 0.011 nan 8.360 nan 0.000 0.403 188 K N 0.898 121.268 120.400 -0.050 0.000 2.180 188 K HA 0.074 4.396 4.320 0.003 0.000 0.251 188 K C -0.006 176.553 176.600 -0.068 0.000 1.014 188 K CA -0.215 56.041 56.287 -0.052 0.000 0.913 188 K CB 0.277 32.748 32.500 -0.050 0.000 1.008 188 K HN 0.215 nan 8.250 nan 0.000 0.490 189 E N 0.620 120.779 120.200 -0.067 0.000 2.351 189 E HA 0.007 4.359 4.350 0.003 0.000 0.266 189 E C -0.453 176.074 176.600 -0.121 0.000 1.031 189 E CA 0.315 56.666 56.400 -0.082 0.000 0.911 189 E CB 0.436 30.096 29.700 -0.067 0.000 0.986 189 E HN 0.444 nan 8.360 nan 0.000 0.446 190 S N 3.241 118.845 115.700 -0.159 0.000 2.573 190 S HA 0.286 4.758 4.470 0.003 0.000 0.277 190 S C -0.146 174.275 174.600 -0.297 0.000 1.346 190 S CA -0.201 57.866 58.200 -0.221 0.000 1.034 190 S CB 0.382 63.425 63.200 -0.262 0.000 0.879 190 S HN 0.612 nan 8.310 nan 0.000 0.528 191 A N 4.422 127.066 122.820 -0.293 0.000 2.505 191 A HA 0.216 4.538 4.320 0.003 0.000 0.271 191 A C 0.746 177.999 177.584 -0.552 0.000 1.112 191 A CA -0.156 51.697 52.037 -0.306 0.000 0.781 191 A CB -0.082 18.791 19.000 -0.211 0.000 1.059 191 A HN 0.746 nan 8.150 nan 0.000 0.508 192 K N 2.790 122.891 120.400 -0.499 0.000 2.911 192 K HA 0.071 4.393 4.320 0.003 0.000 0.239 192 K C 0.045 176.464 176.600 -0.303 0.000 1.090 192 K CA 0.220 56.109 56.287 -0.663 0.000 1.225 192 K CB -0.751 31.523 32.500 -0.376 0.000 1.087 192 K HN 0.753 nan 8.250 nan 0.000 0.464 193 T N -2.120 112.290 114.554 -0.240 0.000 2.794 193 T HA 0.308 4.660 4.350 0.003 0.000 0.280 193 T C 0.364 175.189 174.700 0.209 0.000 0.987 193 T CA -0.799 61.307 62.100 0.010 0.000 0.993 193 T CB 2.027 70.878 68.868 -0.028 0.000 0.939 193 T HN -0.149 nan 8.240 nan 0.000 0.449 194 V N 3.681 123.735 119.914 0.234 0.000 2.403 194 V HA 0.148 4.269 4.120 0.003 0.000 0.265 194 V C 1.244 177.403 176.094 0.109 0.000 1.034 194 V CA -0.342 62.078 62.300 0.200 0.000 1.036 194 V CB 0.119 31.992 31.823 0.084 0.000 1.032 194 V HN 1.154 nan 8.190 nan 0.000 0.478 195 S N 7.028 122.800 115.700 0.119 0.000 2.571 195 S HA 0.018 4.489 4.470 0.003 0.000 0.298 195 S C -1.112 173.506 174.600 0.029 0.000 1.280 195 S CA -0.390 57.850 58.200 0.067 0.000 1.052 195 S CB 0.742 63.984 63.200 0.071 0.000 0.799 195 S HN 0.625 nan 8.310 nan 0.000 0.501 196 P HA -0.061 nan 4.420 nan 0.000 0.221 196 P C 1.377 178.673 177.300 -0.005 0.000 1.150 196 P CA 0.801 63.903 63.100 0.004 0.000 0.800 196 P CB 0.065 31.768 31.700 0.004 0.000 0.787 197 Q N -0.516 119.285 119.800 0.001 0.000 2.172 197 Q HA -0.142 4.200 4.340 0.003 0.000 0.200 197 Q C 1.886 177.872 176.000 -0.024 0.000 0.964 197 Q CA 0.871 56.671 55.803 -0.005 0.000 0.855 197 Q CB -0.527 28.215 28.738 0.008 0.000 0.918 197 Q HN 0.103 nan 8.270 nan 0.000 0.444 198 L N 1.021 122.227 121.223 -0.029 0.000 2.027 198 L HA -0.114 4.228 4.340 0.003 0.000 0.206 198 L C 1.827 178.628 176.870 -0.115 0.000 1.074 198 L CA 1.890 56.680 54.840 -0.084 0.000 0.745 198 L CB -0.343 41.668 42.059 -0.080 0.000 0.898 198 L HN 0.024 nan 8.230 nan 0.000 0.433 199 K N -0.792 119.562 120.400 -0.076 0.000 2.152 199 K HA -0.215 4.107 4.320 0.003 0.000 0.206 199 K C 2.127 178.687 176.600 -0.066 0.000 1.048 199 K CA 1.906 58.149 56.287 -0.072 0.000 0.933 199 K CB -0.156 32.319 32.500 -0.042 0.000 0.721 199 K HN 0.534 nan 8.250 nan 0.000 0.447 200 Q N 0.292 120.062 119.800 -0.051 0.000 2.083 200 Q HA -0.123 4.219 4.340 0.003 0.000 0.198 200 Q C 1.825 177.795 176.000 -0.050 0.000 0.969 200 Q CA 1.157 56.936 55.803 -0.040 0.000 0.838 200 Q CB 0.142 28.865 28.738 -0.025 0.000 0.900 200 Q HN 0.359 nan 8.270 nan 0.000 0.436 201 E N 0.651 120.812 120.200 -0.066 0.000 2.106 201 E HA -0.089 4.263 4.350 0.003 0.000 0.192 201 E C 0.192 176.727 176.600 -0.108 0.000 0.984 201 E CA 0.309 56.666 56.400 -0.073 0.000 0.806 201 E CB -0.019 29.636 29.700 -0.075 0.000 0.750 201 E HN 0.313 nan 8.360 nan 0.000 0.458 202 L N 2.410 123.534 121.223 -0.164 0.000 2.699 202 L HA -0.011 4.331 4.340 0.003 0.000 0.283 202 L C 1.168 177.983 176.870 -0.092 0.000 1.166 202 L CA 0.368 55.101 54.840 -0.178 0.000 1.043 202 L CB -0.033 41.895 42.059 -0.217 0.000 1.369 202 L HN -0.024 nan 8.230 nan 0.000 0.462 203 K N 0.860 121.225 120.400 -0.058 0.000 2.353 203 K HA 0.196 4.518 4.320 0.003 0.000 0.195 203 K C 0.184 176.772 176.600 -0.021 0.000 1.031 203 K CA 0.207 56.475 56.287 -0.032 0.000 1.079 203 K CB 0.734 33.223 32.500 -0.018 0.000 0.857 203 K HN 0.565 nan 8.250 nan 0.000 0.535 204 T N -0.497 114.047 114.554 -0.017 0.000 2.618 204 T HA 0.294 4.646 4.350 0.003 0.000 0.293 204 T C -0.621 174.075 174.700 -0.006 0.000 1.093 204 T CA -0.817 61.279 62.100 -0.006 0.000 1.061 204 T CB 1.828 70.703 68.868 0.011 0.000 1.498 204 T HN 0.136 nan 8.240 nan 0.000 0.494 205 T N -1.503 113.052 114.554 0.002 0.000 2.821 205 T HA 0.775 5.127 4.350 0.003 0.000 0.306 205 T C -1.016 173.691 174.700 0.012 0.000 1.313 205 T CA -0.725 61.376 62.100 0.000 0.000 1.012 205 T CB 1.235 70.091 68.868 -0.021 0.000 1.298 205 T HN 1.122 nan 8.240 nan 0.000 0.502 206 V N -1.465 118.457 119.914 0.014 0.000 3.074 206 V HA 0.988 5.110 4.120 0.003 0.000 0.314 206 V C -0.222 175.868 176.094 -0.006 0.000 1.117 206 V CA -0.577 61.735 62.300 0.019 0.000 1.014 206 V CB 1.559 33.415 31.823 0.055 0.000 1.057 206 V HN 1.451 nan 8.190 nan 0.000 0.438 207 T N -0.845 113.708 114.554 -0.002 0.000 2.809 207 T HA 0.580 4.932 4.350 0.003 0.000 0.284 207 T C -2.158 172.538 174.700 -0.006 0.000 0.992 207 T CA -1.884 60.203 62.100 -0.022 0.000 0.957 207 T CB 1.695 70.552 68.868 -0.019 0.000 0.942 207 T HN 0.517 nan 8.240 nan 0.000 0.439 208 P HA -0.064 nan 4.420 nan 0.000 0.218 208 P C 1.513 178.825 177.300 0.020 0.000 1.148 208 P CA 0.998 64.099 63.100 0.002 0.000 0.822 208 P CB 0.075 31.729 31.700 -0.076 0.000 0.784 209 T N -1.363 113.191 114.554 -0.001 0.000 2.985 209 T HA -0.051 4.301 4.350 0.003 0.000 0.266 209 T C 0.854 175.562 174.700 0.013 0.000 1.076 209 T CA 0.404 62.508 62.100 0.006 0.000 1.135 209 T CB -0.428 68.436 68.868 -0.007 0.000 0.890 209 T HN 0.069 nan 8.240 nan 0.000 0.480 210 K N 2.185 122.592 120.400 0.012 0.000 2.436 210 K HA 0.218 4.540 4.320 0.003 0.000 0.282 210 K C -0.691 175.920 176.600 0.017 0.000 1.044 210 K CA -0.169 56.126 56.287 0.013 0.000 1.028 210 K CB 0.284 32.791 32.500 0.012 0.000 0.919 210 K HN -0.008 nan 8.250 nan 0.000 0.474 224 Y N 2.254 122.550 120.300 -0.006 0.000 2.425 224 Y HA 0.680 5.232 4.550 0.004 0.000 0.344 224 Y C -1.310 174.594 175.900 0.006 0.000 0.969 224 Y CA -0.760 57.345 58.100 0.009 0.000 1.052 224 Y CB 1.818 40.299 38.460 0.036 0.000 1.215 224 Y HN 0.143 nan 8.280 nan 0.000 0.451 225 E N 4.934 124.707 120.200 -0.711 0.000 2.304 225 E HA 0.260 4.612 4.350 0.003 0.000 0.277 225 E C -2.227 173.942 176.600 -0.720 0.000 0.898 225 E CA -0.530 55.528 56.400 -0.570 0.000 0.764 225 E CB 1.782 31.322 29.700 -0.266 0.000 1.216 225 E HN 0.773 nan 8.360 nan 0.000 0.419 226 N N 2.553 120.928 118.700 -0.541 0.000 2.558 226 N HA 0.303 5.045 4.740 0.003 0.000 0.285 226 N C -1.673 173.718 175.510 -0.198 0.000 1.112 226 N CA -0.149 52.688 53.050 -0.354 0.000 0.857 226 N CB 1.383 39.676 38.487 -0.322 0.000 1.376 226 N HN 0.513 nan 8.380 nan 0.000 0.526 227 T N -0.111 114.357 114.554 -0.143 0.000 2.887 227 T HA 0.486 4.838 4.350 0.003 0.000 0.292 227 T C -0.080 174.585 174.700 -0.059 0.000 1.087 227 T CA -0.905 61.131 62.100 -0.107 0.000 1.009 227 T CB 0.715 69.519 68.868 -0.107 0.000 1.203 227 T HN 0.244 nan 8.240 nan 0.000 0.518 228 L N 2.922 124.123 121.223 -0.038 0.000 2.565 228 L HA 0.167 4.509 4.340 0.003 0.000 0.275 228 L C 1.590 178.495 176.870 0.057 0.000 1.137 228 L CA -0.752 54.102 54.840 0.024 0.000 0.915 228 L CB 0.341 42.447 42.059 0.079 0.000 1.232 228 L HN 0.687 nan 8.230 nan 0.000 0.473 229 K N 1.853 122.271 120.400 0.030 0.000 2.127 229 K HA -0.181 4.141 4.320 0.003 0.000 0.208 229 K C 1.100 177.726 176.600 0.043 0.000 1.047 229 K CA 1.480 57.782 56.287 0.025 0.000 0.927 229 K CB -0.081 32.426 32.500 0.012 0.000 0.716 229 K HN 0.587 nan 8.250 nan 0.000 0.450 230 N N -0.296 118.436 118.700 0.054 0.000 2.280 230 N HA -0.006 4.736 4.740 0.003 0.000 0.192 230 N C -0.067 175.463 175.510 0.033 0.000 1.109 230 N CA -0.205 52.863 53.050 0.031 0.000 0.855 230 N CB 0.174 38.668 38.487 0.013 0.000 0.974 230 N HN 0.026 nan 8.380 nan 0.000 0.482 231 F N 2.527 122.447 119.950 -0.050 0.000 2.572 231 F HA 0.073 4.601 4.527 0.003 0.000 0.370 231 F C 0.499 176.237 175.800 -0.102 0.000 1.103 231 F CA 0.478 58.434 58.000 -0.073 0.000 1.286 231 F CB 0.496 39.456 39.000 -0.068 0.000 1.105 231 F HN -0.232 nan 8.300 nan 0.000 0.583 232 K N 6.686 126.682 120.400 -0.673 0.000 2.569 232 K HA 0.366 4.688 4.320 0.003 0.000 0.259 232 K C -1.533 174.678 176.600 -0.648 0.000 0.932 232 K CA -0.689 55.360 56.287 -0.396 0.000 0.833 232 K CB 1.211 33.580 32.500 -0.220 0.000 1.340 232 K HN 0.631 nan 8.250 nan 0.000 0.429 233 I N 4.949 125.241 120.570 -0.463 0.000 2.436 233 I HA 0.162 4.334 4.170 0.003 0.000 0.289 233 I C 1.142 177.094 176.117 -0.275 0.000 1.083 233 I CA 0.078 61.042 61.300 -0.560 0.000 1.372 233 I CB 0.699 38.444 38.000 -0.425 0.000 1.408 233 I HN 0.563 nan 8.210 nan 0.000 0.516 234 R N 4.642 125.005 120.500 -0.228 0.000 2.394 234 R HA 0.171 4.513 4.340 0.003 0.000 0.220 234 R C -0.310 176.037 176.300 0.077 0.000 0.887 234 R CA 0.121 56.184 56.100 -0.061 0.000 1.034 234 R CB 0.679 30.935 30.300 -0.073 0.000 1.179 234 R HN 0.711 nan 8.270 nan 0.000 0.561 235 E N 0.457 120.765 120.200 0.181 0.000 2.390 235 E HA 0.242 4.594 4.350 0.003 0.000 0.277 235 E C -1.488 175.439 176.600 0.545 0.000 0.939 235 E CA -0.948 55.687 56.400 0.391 0.000 0.769 235 E CB 1.783 31.772 29.700 0.481 0.000 1.251 235 E HN -0.148 nan 8.360 nan 0.000 0.450 236 Q N 1.635 121.695 119.800 0.434 0.000 2.353 236 Q HA 0.193 4.535 4.340 0.003 0.000 0.268 236 Q C -1.272 174.536 176.000 -0.320 0.000 1.045 236 Q CA -0.800 55.135 55.803 0.221 0.000 0.811 236 Q CB 2.267 31.233 28.738 0.381 0.000 1.305 236 Q HN 0.625 nan 8.270 nan 0.000 0.447 237 Q N 3.607 122.920 119.800 -0.812 0.000 2.314 237 Q HA 0.242 4.584 4.340 0.003 0.000 0.257 237 Q C -0.949 174.920 176.000 -0.218 0.000 0.975 237 Q CA -0.076 55.158 55.803 -0.948 0.000 0.933 237 Q CB 0.315 28.452 28.738 -1.003 0.000 1.195 237 Q HN 0.748 nan 8.270 nan 0.000 0.426 238 F N 1.648 121.544 119.950 -0.090 0.000 2.975 238 F HA 0.352 4.880 4.527 0.002 0.000 0.366 238 F C -0.433 175.303 175.800 -0.107 0.000 1.071 238 F CA -0.579 57.371 58.000 -0.083 0.000 1.102 238 F CB 0.377 39.341 39.000 -0.061 0.000 1.176 238 F HN 0.477 nan 8.300 nan 0.000 0.545 239 D N 0.172 120.471 120.400 -0.168 0.000 2.865 239 D HA 0.257 4.899 4.640 0.003 0.000 0.347 239 D C -0.726 175.404 176.300 -0.282 0.000 1.498 239 D CA -0.093 53.850 54.000 -0.095 0.000 0.787 239 D CB -0.702 40.139 40.800 0.068 0.000 1.190 239 D HN 0.500 nan 8.370 nan 0.000 0.445 240 N N -1.711 116.776 118.700 -0.355 0.000 3.116 240 N HA 0.310 5.052 4.740 0.003 0.000 0.244 240 N C -0.667 174.646 175.510 -0.329 0.000 1.485 240 N CA -0.627 52.086 53.050 -0.562 0.000 0.884 240 N CB 0.734 38.413 38.487 -1.347 0.000 1.415 240 N HN -0.139 nan 8.380 nan 0.000 0.524 241 S N -2.000 113.527 115.700 -0.289 0.000 2.537 241 S HA 0.200 4.672 4.470 0.003 0.000 0.246 241 S C -0.704 174.015 174.600 0.199 0.000 1.036 241 S CA -0.722 57.481 58.200 0.007 0.000 1.041 241 S CB -0.609 62.618 63.200 0.044 0.000 0.799 241 S HN 0.566 nan 8.310 nan 0.000 0.456 242 W N 2.217 123.609 121.300 0.154 0.000 3.066 242 W HA 0.268 4.929 4.660 0.001 0.000 0.442 242 W C 1.733 178.391 176.519 0.232 0.000 0.820 242 W CA -2.148 55.290 57.345 0.154 0.000 2.047 242 W CB -1.998 27.545 29.460 0.138 0.000 0.980 242 W HN 0.597 nan 8.180 nan 0.000 0.825 243 C N -0.635 118.826 119.300 0.268 0.000 2.413 243 C HA -0.072 4.390 4.460 0.003 0.000 0.276 243 C C 2.741 177.726 174.990 -0.009 0.000 1.248 243 C CA 1.439 60.480 59.018 0.037 0.000 1.742 243 C CB -1.299 26.337 27.740 -0.174 0.000 2.017 243 C HN 0.379 nan 8.230 nan 0.000 0.481 244 A N 1.702 124.515 122.820 -0.013 0.000 1.898 244 A HA 0.220 4.542 4.320 0.003 0.000 0.216 244 A C 2.542 180.112 177.584 -0.023 0.000 1.181 244 A CA 2.100 54.106 52.037 -0.052 0.000 0.620 244 A CB -1.575 17.381 19.000 -0.073 0.000 0.819 244 A HN 0.730 nan 8.150 nan 0.000 0.442 245 G N -1.400 107.392 108.800 -0.014 0.000 2.418 245 G HA2 -0.165 3.797 3.960 0.003 0.000 0.217 245 G HA3 -0.165 3.797 3.960 0.003 0.000 0.217 245 G C 1.368 176.233 174.900 -0.057 0.000 1.158 245 G CA 1.037 46.062 45.100 -0.125 0.000 0.771 245 G HN 0.408 nan 8.290 nan 0.000 0.545 246 F N 1.726 121.722 119.950 0.077 0.000 2.171 246 F HA -0.045 4.483 4.527 0.001 0.000 0.300 246 F C 3.088 179.038 175.800 0.249 0.000 1.090 246 F CA 1.541 59.648 58.000 0.178 0.000 1.293 246 F CB -0.085 38.996 39.000 0.135 0.000 1.013 246 F HN 0.087 nan 8.300 nan 0.000 0.486 247 S N -0.200 115.666 115.700 0.276 0.000 2.368 247 S HA -0.169 4.303 4.470 0.003 0.000 0.224 247 S C 2.066 176.780 174.600 0.189 0.000 1.029 247 S CA 1.183 59.531 58.200 0.246 0.000 0.988 247 S CB -0.304 62.913 63.200 0.028 0.000 0.838 247 S HN 0.299 nan 8.310 nan 0.000 0.462 248 M N 1.105 120.749 119.600 0.073 0.000 2.175 248 M HA -0.046 4.436 4.480 0.003 0.000 0.264 248 M C 2.538 178.824 176.300 -0.024 0.000 1.063 248 M CA 1.258 56.565 55.300 0.013 0.000 1.119 248 M CB -0.617 31.962 32.600 -0.034 0.000 1.377 248 M HN 0.402 nan 8.290 nan 0.000 0.415 249 A N 0.585 123.405 122.820 -0.001 0.000 1.877 249 A HA -0.077 4.245 4.320 0.003 0.000 0.216 249 A C 2.362 179.942 177.584 -0.007 0.000 1.186 249 A CA 2.021 54.062 52.037 0.007 0.000 0.620 249 A CB -0.887 18.124 19.000 0.018 0.000 0.822 249 A HN 0.493 nan 8.150 nan 0.000 0.443 250 A N -0.529 122.307 122.820 0.028 0.000 1.930 250 A HA 0.046 4.368 4.320 0.003 0.000 0.217 250 A C 2.182 179.694 177.584 -0.120 0.000 1.175 250 A CA 1.376 53.312 52.037 -0.169 0.000 0.627 250 A CB -0.511 18.362 19.000 -0.212 0.000 0.815 250 A HN 0.463 nan 8.150 nan 0.000 0.443 251 L N -0.769 120.500 121.223 0.077 0.000 2.027 251 L HA -0.131 4.211 4.340 0.003 0.000 0.206 251 L C 2.562 179.420 176.870 -0.020 0.000 1.074 251 L CA 0.982 55.886 54.840 0.107 0.000 0.745 251 L CB -0.526 41.597 42.059 0.108 0.000 0.898 251 L HN 0.355 nan 8.230 nan 0.000 0.433 252 L N -0.270 120.873 121.223 -0.134 0.000 2.046 252 L HA -0.220 4.122 4.340 0.003 0.000 0.208 252 L C 2.343 179.127 176.870 -0.143 0.000 1.077 252 L CA 1.004 55.672 54.840 -0.287 0.000 0.747 252 L CB -0.607 40.971 42.059 -0.800 0.000 0.896 252 L HN 0.360 nan 8.230 nan 0.000 0.432 253 N N -0.002 118.666 118.700 -0.053 0.000 2.223 253 N HA -0.127 4.615 4.740 0.003 0.000 0.185 253 N C 1.774 177.275 175.510 -0.014 0.000 1.016 253 N CA 1.431 54.510 53.050 0.049 0.000 0.863 253 N CB -0.080 38.407 38.487 -0.001 0.000 0.983 253 N HN 0.339 nan 8.380 nan 0.000 0.429 254 A N 0.265 123.057 122.820 -0.048 0.000 1.874 254 A HA -0.065 4.257 4.320 0.003 0.000 0.214 254 A C 2.256 179.854 177.584 0.023 0.000 1.189 254 A CA 1.850 53.884 52.037 -0.005 0.000 0.615 254 A CB -0.929 18.120 19.000 0.082 0.000 0.830 254 A HN 0.443 nan 8.150 nan 0.000 0.443 255 T N -2.706 111.857 114.554 0.015 0.000 3.085 255 T HA 0.078 4.430 4.350 0.003 0.000 0.263 255 T C 1.143 175.851 174.700 0.012 0.000 1.127 255 T CA 1.121 63.226 62.100 0.009 0.000 1.103 255 T CB -0.093 68.770 68.868 -0.008 0.000 0.921 255 T HN 0.406 nan 8.240 nan 0.000 0.510 256 K N 1.284 121.699 120.400 0.026 0.000 2.413 256 K HA 0.215 4.537 4.320 0.003 0.000 0.204 256 K C 0.291 176.922 176.600 0.051 0.000 1.041 256 K CA -0.229 56.089 56.287 0.051 0.000 1.082 256 K CB -0.010 32.554 32.500 0.106 0.000 0.871 256 K HN 0.511 nan 8.250 nan 0.000 0.535 257 N N 2.007 120.726 118.700 0.033 0.000 2.686 257 N HA -0.203 4.539 4.740 0.003 0.000 0.261 257 N C -0.903 174.621 175.510 0.025 0.000 1.001 257 N CA 0.786 53.848 53.050 0.021 0.000 0.764 257 N CB -0.236 38.260 38.487 0.015 0.000 0.898 257 N HN 0.249 nan 8.380 nan 0.000 0.544 258 T N -0.616 113.963 114.554 0.041 0.000 2.778 258 T HA 0.422 4.774 4.350 0.003 0.000 0.293 258 T C -0.764 173.954 174.700 0.030 0.000 1.144 258 T CA 0.139 62.260 62.100 0.036 0.000 1.010 258 T CB 1.288 70.191 68.868 0.059 0.000 1.325 258 T HN 0.335 nan 8.240 nan 0.000 0.515 259 D N -0.880 119.523 120.400 0.004 0.000 2.594 259 D HA 0.122 4.764 4.640 0.003 0.000 0.256 259 D C 1.261 177.547 176.300 -0.022 0.000 1.393 259 D CA 0.357 54.353 54.000 -0.007 0.000 0.797 259 D CB -0.332 40.453 40.800 -0.025 0.000 1.110 259 D HN 0.528 nan 8.370 nan 0.000 0.495 260 T N -3.256 111.255 114.554 -0.070 0.000 3.067 260 T HA 0.080 4.432 4.350 0.003 0.000 0.257 260 T C 0.397 174.981 174.700 -0.193 0.000 1.105 260 T CA 0.197 62.197 62.100 -0.165 0.000 1.104 260 T CB -0.560 68.143 68.868 -0.275 0.000 0.925 260 T HN 0.033 nan 8.240 nan 0.000 0.498 261 Y N 3.532 123.821 120.300 -0.018 0.000 2.309 261 Y HA 0.489 5.040 4.550 0.002 0.000 0.327 261 Y C 0.601 176.474 175.900 -0.046 0.000 1.172 261 Y CA -0.931 57.160 58.100 -0.015 0.000 1.280 261 Y CB 0.718 39.181 38.460 0.006 0.000 1.234 261 Y HN 0.491 nan 8.280 nan 0.000 0.512 262 N N -0.699 118.052 118.700 0.084 0.000 2.710 262 N HA 0.539 5.281 4.740 0.003 0.000 0.257 262 N C -0.247 175.163 175.510 -0.167 0.000 1.327 262 N CA -0.472 52.557 53.050 -0.034 0.000 0.861 262 N CB 1.052 39.528 38.487 -0.018 0.000 1.532 262 N HN 0.500 nan 8.380 nan 0.000 0.499 263 A N -0.104 122.486 122.820 -0.382 0.000 1.908 263 A HA -0.295 4.026 4.320 0.003 0.000 0.218 263 A C 1.866 179.093 177.584 -0.596 0.000 1.181 263 A CA 1.894 53.582 52.037 -0.581 0.000 0.627 263 A CB -1.408 16.849 19.000 -1.237 0.000 0.818 263 A HN 0.895 nan 8.150 nan 0.000 0.445 264 H N 0.302 119.081 119.070 -0.485 0.000 2.290 264 H HA -0.151 4.408 4.556 0.004 0.000 0.298 264 H C 1.366 176.424 175.328 -0.450 0.000 1.087 264 H CA 2.056 57.763 56.048 -0.568 0.000 1.291 264 H CB -0.273 29.406 29.762 -0.139 0.000 1.369 264 H HN 0.404 nan 8.280 nan 0.000 0.492 265 D N 0.615 120.946 120.400 -0.116 0.000 2.144 265 D HA -0.108 4.533 4.640 0.003 0.000 0.199 265 D C 2.574 178.730 176.300 -0.240 0.000 0.984 265 D CA 0.908 54.849 54.000 -0.099 0.000 0.834 265 D CB -0.233 40.573 40.800 0.010 0.000 0.955 265 D HN 0.478 nan 8.370 nan 0.000 0.465 266 I N 0.425 120.795 120.570 -0.333 0.000 2.202 266 I HA -0.237 3.935 4.170 0.003 0.000 0.242 266 I C 2.261 178.053 176.117 -0.541 0.000 1.091 266 I CA 0.755 61.756 61.300 -0.497 0.000 1.368 266 I CB -0.176 37.449 38.000 -0.625 0.000 1.058 266 I HN -0.031 nan 8.210 nan 0.000 0.410 267 M N 0.146 119.355 119.600 -0.651 0.000 2.159 267 M HA -0.195 4.287 4.480 0.003 0.000 0.263 267 M C 2.354 178.405 176.300 -0.416 0.000 1.063 267 M CA 1.576 56.508 55.300 -0.613 0.000 1.110 267 M CB -1.444 30.496 32.600 -1.099 0.000 1.374 267 M HN 0.152 nan 8.290 nan 0.000 0.411 268 R N 0.491 120.695 120.500 -0.493 0.000 2.096 268 R HA -0.062 4.280 4.340 0.003 0.000 0.235 268 R C 1.874 178.072 176.300 -0.169 0.000 1.127 268 R CA 2.010 57.926 56.100 -0.308 0.000 0.968 268 R CB -1.170 28.941 30.300 -0.316 0.000 0.861 268 R HN 0.314 nan 8.270 nan 0.000 0.440 269 T N 0.857 115.305 114.554 -0.176 0.000 2.867 269 T HA -0.002 4.350 4.350 0.003 0.000 0.268 269 T C 1.572 176.191 174.700 -0.136 0.000 1.057 269 T CA 1.400 63.448 62.100 -0.086 0.000 1.136 269 T CB -0.065 68.820 68.868 0.029 0.000 0.874 269 T HN 0.166 nan 8.240 nan 0.000 0.466 270 L N -1.033 120.025 121.223 -0.275 0.000 2.209 270 L HA 0.103 4.445 4.340 0.003 0.000 0.207 270 L C 0.142 176.631 176.870 -0.635 0.000 1.094 270 L CA 0.852 55.405 54.840 -0.477 0.000 0.790 270 L CB -0.017 41.633 42.059 -0.682 0.000 0.932 270 L HN 0.255 nan 8.230 nan 0.000 0.447 271 Y N -0.420 119.828 120.300 -0.087 0.000 2.658 271 Y HA 0.269 4.820 4.550 0.003 0.000 0.362 271 Y C -1.670 174.198 175.900 -0.055 0.000 1.017 271 Y CA -2.542 55.526 58.100 -0.053 0.000 1.134 271 Y CB 0.087 38.515 38.460 -0.052 0.000 1.144 271 Y HN -0.075 nan 8.280 nan 0.000 0.655 272 P HA -0.098 nan 4.420 nan 0.000 0.230 272 P C 0.208 177.538 177.300 0.051 0.000 1.158 272 P CA 1.246 64.365 63.100 0.032 0.000 0.769 272 P CB 0.538 32.245 31.700 0.012 0.000 0.807 273 E N -0.759 119.487 120.200 0.077 0.000 2.498 273 E HA 0.141 4.493 4.350 0.003 0.000 0.203 273 E C 0.011 176.650 176.600 0.064 0.000 1.013 273 E CA -0.216 56.223 56.400 0.065 0.000 0.927 273 E CB 0.699 30.437 29.700 0.063 0.000 1.012 273 E HN 0.056 nan 8.360 nan 0.000 0.482 274 V N 2.196 122.154 119.914 0.074 0.000 2.539 274 V HA 0.109 4.231 4.120 0.003 0.000 0.292 274 V C 0.533 176.657 176.094 0.050 0.000 1.045 274 V CA -0.773 61.555 62.300 0.046 0.000 0.945 274 V CB 1.584 33.415 31.823 0.013 0.000 0.993 274 V HN 0.209 nan 8.190 nan 0.000 0.464 275 S N 3.202 118.930 115.700 0.047 0.000 2.584 275 S HA 0.150 4.621 4.470 0.003 0.000 0.270 275 S C 0.827 175.477 174.600 0.083 0.000 1.346 275 S CA -0.419 57.816 58.200 0.059 0.000 1.018 275 S CB 0.708 63.937 63.200 0.048 0.000 0.899 275 S HN 0.699 nan 8.310 nan 0.000 0.542 276 E N 0.370 120.632 120.200 0.103 0.000 2.401 276 E HA -0.157 4.195 4.350 0.003 0.000 0.199 276 E C 1.598 178.285 176.600 0.145 0.000 1.023 276 E CA 0.854 57.346 56.400 0.153 0.000 0.859 276 E CB -0.124 29.670 29.700 0.156 0.000 0.780 276 E HN 0.856 nan 8.360 nan 0.000 0.523 277 Q N -0.196 119.662 119.800 0.097 0.000 2.396 277 Q HA -0.034 4.307 4.340 0.003 0.000 0.209 277 Q C 0.776 176.815 176.000 0.065 0.000 0.906 277 Q CA 0.361 56.209 55.803 0.076 0.000 0.927 277 Q CB 0.588 29.357 28.738 0.052 0.000 1.069 277 Q HN 0.064 nan 8.270 nan 0.000 0.523 278 D N 0.044 120.483 120.400 0.065 0.000 2.369 278 D HA -0.016 4.625 4.640 0.003 0.000 0.211 278 D C 1.486 177.827 176.300 0.068 0.000 1.077 278 D CA 0.014 54.040 54.000 0.044 0.000 0.842 278 D CB 0.700 41.511 40.800 0.017 0.000 0.947 278 D HN 0.205 nan 8.370 nan 0.000 0.509 279 L N 1.658 122.965 121.223 0.140 0.000 2.046 279 L HA -0.021 4.321 4.340 0.003 0.000 0.208 279 L C -0.990 176.177 176.870 0.495 0.000 1.077 279 L CA 1.918 56.908 54.840 0.249 0.000 0.747 279 L CB -1.114 41.114 42.059 0.282 0.000 0.896 279 L HN -0.097 nan 8.230 nan 0.000 0.432 280 P HA -0.093 nan 4.420 nan 0.000 0.221 280 P C 0.801 178.062 177.300 -0.065 0.000 1.145 280 P CA 1.222 64.263 63.100 -0.099 0.000 0.795 280 P CB -0.067 31.503 31.700 -0.217 0.000 0.775 281 N N -1.898 116.829 118.700 0.046 0.000 2.405 281 N HA -0.007 4.735 4.740 0.003 0.000 0.175 281 N C 0.233 175.768 175.510 0.043 0.000 1.051 281 N CA 0.249 53.310 53.050 0.019 0.000 0.899 281 N CB -0.451 38.038 38.487 0.003 0.000 1.000 281 N HN 0.134 nan 8.380 nan 0.000 0.451 282 C N 2.111 121.440 119.300 0.048 0.000 2.653 282 C HA 0.501 4.963 4.460 0.003 0.000 0.421 282 C C 1.132 176.159 174.990 0.062 0.000 1.334 282 C CA -0.843 58.124 59.018 -0.085 0.000 1.885 282 C CB -0.422 27.038 27.740 -0.467 0.000 2.645 282 C HN 0.329 nan 8.230 nan 0.000 0.601 283 A N 3.726 126.548 122.820 0.004 0.000 2.269 283 A HA 0.793 5.115 4.320 0.003 0.000 0.327 283 A C 0.117 177.575 177.584 -0.211 0.000 1.112 283 A CA -0.265 51.722 52.037 -0.083 0.000 0.865 283 A CB 0.552 19.437 19.000 -0.191 0.000 1.227 283 A HN 0.807 nan 8.150 nan 0.000 0.498 284 T N 0.389 114.716 114.554 -0.378 0.000 2.925 284 T HA 0.699 5.051 4.350 0.003 0.000 0.285 284 T C -1.167 173.107 174.700 -0.709 0.000 1.021 284 T CA 0.152 62.045 62.100 -0.345 0.000 1.042 284 T CB 0.532 69.303 68.868 -0.162 0.000 1.037 284 T HN 0.333 nan 8.240 nan 0.000 0.481 285 F N 0.725 120.730 119.950 0.091 0.000 2.588 285 F HA 0.418 4.948 4.527 0.004 0.000 0.310 285 F C -1.871 173.961 175.800 0.054 0.000 1.082 285 F CA -2.342 55.709 58.000 0.085 0.000 0.929 285 F CB 1.534 40.593 39.000 0.099 0.000 1.254 285 F HN 0.326 nan 8.300 nan 0.000 0.455 286 P HA -0.303 nan 4.420 nan 0.000 0.221 286 P C 1.157 178.530 177.300 0.120 0.000 1.160 286 P CA 2.685 65.875 63.100 0.149 0.000 0.933 286 P CB -0.049 31.712 31.700 0.101 0.000 0.793 287 N N -0.807 117.963 118.700 0.117 0.000 2.094 287 N HA -0.243 4.499 4.740 0.003 0.000 0.191 287 N C 1.679 177.238 175.510 0.081 0.000 1.023 287 N CA 1.738 54.836 53.050 0.080 0.000 0.857 287 N CB -1.234 37.290 38.487 0.062 0.000 1.013 287 N HN 0.292 nan 8.380 nan 0.000 0.426 288 Q N -0.431 119.429 119.800 0.100 0.000 2.079 288 Q HA -0.001 4.341 4.340 0.003 0.000 0.200 288 Q C 2.206 178.248 176.000 0.070 0.000 0.974 288 Q CA 1.571 57.409 55.803 0.058 0.000 0.840 288 Q CB -0.168 28.583 28.738 0.022 0.000 0.898 288 Q HN 0.515 nan 8.270 nan 0.000 0.430 289 M N 0.202 119.846 119.600 0.074 0.000 2.065 289 M HA -0.207 4.275 4.480 0.003 0.000 0.259 289 M C 2.190 178.564 176.300 0.124 0.000 1.069 289 M CA 1.573 56.925 55.300 0.087 0.000 1.110 289 M CB -0.384 32.259 32.600 0.072 0.000 1.328 289 M HN 0.204 nan 8.290 nan 0.000 0.405 290 I N -0.129 120.503 120.570 0.102 0.000 2.163 290 I HA -0.311 3.861 4.170 0.003 0.000 0.243 290 I C 2.563 178.725 176.117 0.075 0.000 1.085 290 I CA 1.592 62.946 61.300 0.091 0.000 1.347 290 I CB -0.540 37.503 38.000 0.071 0.000 1.044 290 I HN 0.418 nan 8.210 nan 0.000 0.408 291 E N 0.335 120.577 120.200 0.070 0.000 2.077 291 E HA -0.298 4.054 4.350 0.003 0.000 0.193 291 E C 2.260 178.894 176.600 0.058 0.000 0.989 291 E CA 1.475 57.905 56.400 0.050 0.000 0.800 291 E CB -0.176 29.549 29.700 0.043 0.000 0.746 291 E HN 0.500 nan 8.360 nan 0.000 0.452 292 Y N 0.438 120.725 120.300 -0.022 0.000 2.163 292 Y HA -0.056 4.495 4.550 0.002 0.000 0.288 292 Y C 2.160 178.052 175.900 -0.015 0.000 1.136 292 Y CA 2.003 60.086 58.100 -0.029 0.000 1.147 292 Y CB -0.748 37.682 38.460 -0.051 0.000 0.987 292 Y HN 0.085 nan 8.280 nan 0.000 0.509 293 G N 0.242 109.049 108.800 0.010 0.000 2.442 293 G HA2 -0.356 3.605 3.960 0.003 0.000 0.219 293 G HA3 -0.356 3.605 3.960 0.003 0.000 0.219 293 G C 1.736 176.572 174.900 -0.106 0.000 1.141 293 G CA 1.085 46.147 45.100 -0.064 0.000 0.763 293 G HN 0.428 nan 8.290 nan 0.000 0.554 294 K N 0.958 121.323 120.400 -0.058 0.000 2.032 294 K HA -0.167 4.155 4.320 0.003 0.000 0.209 294 K C 2.806 179.353 176.600 -0.088 0.000 1.048 294 K CA 1.869 58.130 56.287 -0.043 0.000 0.927 294 K CB -0.292 32.198 32.500 -0.016 0.000 0.712 294 K HN 0.432 nan 8.250 nan 0.000 0.441 295 S N 0.034 115.644 115.700 -0.151 0.000 2.469 295 S HA -0.086 4.386 4.470 0.003 0.000 0.238 295 S C 1.245 175.732 174.600 -0.188 0.000 0.998 295 S CA 0.675 58.775 58.200 -0.166 0.000 0.957 295 S CB 0.054 63.133 63.200 -0.201 0.000 0.764 295 S HN 0.303 nan 8.310 nan 0.000 0.514 296 Q N 0.607 120.266 119.800 -0.235 0.000 2.188 296 Q HA 0.338 4.679 4.340 0.003 0.000 0.212 296 Q C 1.056 177.014 176.000 -0.070 0.000 0.846 296 Q CA 0.436 56.145 55.803 -0.156 0.000 0.989 296 Q CB 0.170 28.759 28.738 -0.248 0.000 1.114 296 Q HN 0.734 nan 8.270 nan 0.000 0.488 297 G N 1.926 110.693 108.800 -0.055 0.000 2.198 297 G HA2 -0.235 3.727 3.960 0.003 0.000 0.257 297 G HA3 -0.235 3.727 3.960 0.003 0.000 0.257 297 G C -0.161 174.736 174.900 -0.005 0.000 1.042 297 G CA -0.081 45.008 45.100 -0.019 0.000 0.791 297 G HN 0.076 nan 8.290 nan 0.000 0.502 298 R N -0.124 120.372 120.500 -0.006 0.000 2.575 298 R HA 0.390 4.732 4.340 0.003 0.000 0.293 298 R C -1.479 174.865 176.300 0.074 0.000 0.983 298 R CA -0.951 55.166 56.100 0.028 0.000 0.887 298 R CB 1.641 31.942 30.300 0.002 0.000 1.184 298 R HN 0.207 nan 8.270 nan 0.000 0.445 299 D N 3.474 123.956 120.400 0.136 0.000 2.468 299 D HA 0.164 4.806 4.640 0.003 0.000 0.218 299 D C 0.008 176.521 176.300 0.356 0.000 1.155 299 D CA -0.369 53.765 54.000 0.223 0.000 0.924 299 D CB 0.380 41.322 40.800 0.236 0.000 1.029 299 D HN 0.272 nan 8.370 nan 0.000 0.515 300 I N 3.916 124.654 120.570 0.281 0.000 2.441 300 I HA 0.177 4.349 4.170 0.003 0.000 0.287 300 I C 0.650 177.014 176.117 0.412 0.000 1.049 300 I CA -0.127 61.350 61.300 0.295 0.000 1.381 300 I CB 0.360 38.462 38.000 0.171 0.000 1.409 300 I HN 0.384 nan 8.210 nan 0.000 0.523 301 H N 5.000 124.200 119.070 0.216 0.000 2.572 301 H HA 0.255 4.813 4.556 0.003 0.000 0.359 301 H C -1.190 174.271 175.328 0.223 0.000 1.134 301 H CA -0.698 55.478 56.048 0.213 0.000 1.187 301 H CB 2.782 32.675 29.762 0.218 0.000 1.597 301 H HN 0.495 nan 8.280 nan 0.000 0.524 302 Y N 2.300 122.716 120.300 0.193 0.000 2.304 302 Y HA 0.154 4.706 4.550 0.003 0.000 0.328 302 Y C -0.461 175.536 175.900 0.163 0.000 1.123 302 Y CA -0.380 57.814 58.100 0.156 0.000 1.218 302 Y CB 0.970 39.506 38.460 0.126 0.000 1.207 302 Y HN 0.548 nan 8.280 nan 0.000 0.495 303 Q N 5.722 125.133 119.800 -0.648 0.000 2.292 303 Q HA 0.233 4.575 4.340 0.003 0.000 0.270 303 Q C -1.195 174.359 176.000 -0.743 0.000 1.024 303 Q CA -0.765 54.730 55.803 -0.513 0.000 0.768 303 Q CB 1.345 29.986 28.738 -0.162 0.000 1.250 303 Q HN 0.883 nan 8.270 nan 0.000 0.447 304 E N 2.656 122.519 120.200 -0.561 0.000 2.398 304 E HA 0.390 4.741 4.350 0.003 0.000 0.263 304 E C 0.245 176.759 176.600 -0.142 0.000 1.046 304 E CA 1.113 57.361 56.400 -0.254 0.000 0.908 304 E CB 0.452 30.143 29.700 -0.016 0.000 0.963 304 E HN 0.900 nan 8.360 nan 0.000 0.431 305 G N 1.184 109.950 108.800 -0.056 0.000 2.693 305 G HA2 -0.245 3.717 3.960 0.003 0.000 0.226 305 G HA3 -0.245 3.717 3.960 0.003 0.000 0.226 305 G C -0.734 173.952 174.900 -0.357 0.000 1.354 305 G CA -0.381 44.641 45.100 -0.130 0.000 0.873 305 G HN 0.615 nan 8.290 nan 0.000 0.562 306 V N 3.446 123.066 119.914 -0.490 0.000 2.432 306 V HA 0.489 4.611 4.120 0.003 0.000 0.275 306 V C -0.951 174.802 176.094 -0.567 0.000 1.043 306 V CA -0.522 61.236 62.300 -0.904 0.000 0.925 306 V CB 1.216 32.547 31.823 -0.819 0.000 0.985 306 V HN 0.793 nan 8.190 nan 0.000 0.466 307 P HA 0.138 nan 4.420 nan 0.000 0.271 307 P C -0.038 177.136 177.300 -0.210 0.000 1.218 307 P CA -0.085 62.859 63.100 -0.261 0.000 0.780 307 P CB 0.799 32.406 31.700 -0.155 0.000 0.901 308 S N 2.051 117.683 115.700 -0.113 0.000 2.584 308 S HA -0.039 4.433 4.470 0.003 0.000 0.270 308 S C 1.207 175.815 174.600 0.014 0.000 1.346 308 S CA -0.355 57.821 58.200 -0.041 0.000 1.018 308 S CB 0.083 63.276 63.200 -0.012 0.000 0.899 308 S HN 0.538 nan 8.310 nan 0.000 0.542 309 Y N 2.462 122.732 120.300 -0.049 0.000 2.114 309 Y HA -0.264 4.287 4.550 0.003 0.000 0.282 309 Y C 2.447 178.348 175.900 0.000 0.000 1.165 309 Y CA 2.433 60.525 58.100 -0.013 0.000 1.148 309 Y CB -0.575 37.883 38.460 -0.003 0.000 0.972 309 Y HN 0.894 nan 8.280 nan 0.000 0.504 310 N N -0.037 118.704 118.700 0.069 0.000 2.166 310 N HA -0.263 4.479 4.740 0.003 0.000 0.186 310 N C 2.031 177.495 175.510 -0.076 0.000 1.019 310 N CA 1.392 54.427 53.050 -0.025 0.000 0.856 310 N CB -0.237 38.284 38.487 0.055 0.000 0.993 310 N HN 0.658 nan 8.380 nan 0.000 0.426 311 Q N 0.619 120.387 119.800 -0.053 0.000 2.084 311 Q HA -0.092 4.250 4.340 0.003 0.000 0.202 311 Q C 2.016 177.969 176.000 -0.078 0.000 0.978 311 Q CA 1.279 57.052 55.803 -0.049 0.000 0.844 311 Q CB 0.144 28.860 28.738 -0.038 0.000 0.898 311 Q HN 0.152 nan 8.270 nan 0.000 0.426 312 V N 1.314 121.163 119.914 -0.108 0.000 2.407 312 V HA -0.256 3.866 4.120 0.003 0.000 0.248 312 V C 1.853 177.857 176.094 -0.150 0.000 1.055 312 V CA 2.163 64.395 62.300 -0.114 0.000 1.049 312 V CB -0.697 31.063 31.823 -0.105 0.000 0.662 312 V HN 0.511 nan 8.190 nan 0.000 0.455 313 D N -0.930 119.334 120.400 -0.226 0.000 2.097 313 D HA -0.190 4.452 4.640 0.003 0.000 0.195 313 D C 2.302 178.551 176.300 -0.085 0.000 0.989 313 D CA 1.216 55.104 54.000 -0.186 0.000 0.827 313 D CB 0.036 40.695 40.800 -0.236 0.000 0.966 313 D HN 0.319 nan 8.370 nan 0.000 0.456 314 Q N -0.026 119.732 119.800 -0.070 0.000 2.016 314 Q HA -0.077 4.265 4.340 0.003 0.000 0.200 314 Q C 2.663 178.641 176.000 -0.036 0.000 0.978 314 Q CA 0.758 56.540 55.803 -0.036 0.000 0.833 314 Q CB -0.568 28.158 28.738 -0.021 0.000 0.895 314 Q HN 0.430 nan 8.270 nan 0.000 0.427 315 L N 0.465 121.657 121.223 -0.052 0.000 2.079 315 L HA -0.196 4.146 4.340 0.003 0.000 0.210 315 L C 2.426 179.256 176.870 -0.067 0.000 1.081 315 L CA 1.405 56.203 54.840 -0.070 0.000 0.752 315 L CB -0.778 41.217 42.059 -0.107 0.000 0.896 315 L HN 0.232 nan 8.230 nan 0.000 0.433 316 T N -0.606 113.909 114.554 -0.065 0.000 2.746 316 T HA -0.184 4.167 4.350 0.003 0.000 0.267 316 T C 1.914 176.591 174.700 -0.038 0.000 1.039 316 T CA 1.239 63.305 62.100 -0.056 0.000 1.142 316 T CB -0.060 68.766 68.868 -0.072 0.000 0.866 316 T HN 0.271 nan 8.240 nan 0.000 0.444 317 K N 0.679 121.060 120.400 -0.030 0.000 2.283 317 K HA -0.045 4.277 4.320 0.003 0.000 0.202 317 K C 1.375 177.969 176.600 -0.010 0.000 1.048 317 K CA 0.934 57.212 56.287 -0.013 0.000 0.948 317 K CB 0.071 32.570 32.500 -0.001 0.000 0.742 317 K HN 0.180 nan 8.250 nan 0.000 0.458 318 D N 0.168 120.558 120.400 -0.016 0.000 2.340 318 D HA -0.048 4.594 4.640 0.003 0.000 0.220 318 D C -0.228 176.063 176.300 -0.015 0.000 1.039 318 D CA 0.332 54.326 54.000 -0.010 0.000 0.866 318 D CB -0.095 40.702 40.800 -0.005 0.000 0.913 318 D HN 0.083 nan 8.370 nan 0.000 0.523 319 N N -0.290 118.397 118.700 -0.021 0.000 2.783 319 N HA -0.173 4.569 4.740 0.003 0.000 0.247 319 N C -1.480 174.010 175.510 -0.034 0.000 1.089 319 N CA 0.164 53.204 53.050 -0.017 0.000 0.690 319 N CB -1.099 37.386 38.487 -0.004 0.000 0.991 319 N HN -0.096 nan 8.380 nan 0.000 0.552 320 V N 0.338 120.213 119.914 -0.065 0.000 2.384 320 V HA 0.724 4.846 4.120 0.003 0.000 0.287 320 V C 1.336 177.364 176.094 -0.110 0.000 1.020 320 V CA -0.228 62.000 62.300 -0.120 0.000 0.850 320 V CB 1.488 33.178 31.823 -0.222 0.000 0.987 320 V HN 0.364 nan 8.190 nan 0.000 0.436 321 G N 4.951 113.699 108.800 -0.085 0.000 2.467 321 G HA2 0.605 4.567 3.960 0.003 0.000 0.257 321 G HA3 0.605 4.567 3.960 0.003 0.000 0.257 321 G C -0.629 174.234 174.900 -0.062 0.000 1.227 321 G CA -0.311 44.764 45.100 -0.042 0.000 0.835 321 G HN 0.633 nan 8.290 nan 0.000 0.556 322 I N 1.830 122.387 120.570 -0.023 0.000 2.439 322 I HA 0.275 4.447 4.170 0.003 0.000 0.285 322 I C -0.118 176.003 176.117 0.007 0.000 1.021 322 I CA -0.451 60.845 61.300 -0.006 0.000 1.091 322 I CB 2.083 40.097 38.000 0.023 0.000 1.242 322 I HN 0.353 nan 8.210 nan 0.000 0.439 323 M N 7.094 126.694 119.600 0.000 0.000 2.238 323 M HA 0.552 5.033 4.480 0.003 0.000 0.350 323 M C -0.955 175.278 176.300 -0.111 0.000 1.138 323 M CA -0.504 54.764 55.300 -0.053 0.000 1.040 323 M CB 1.387 33.967 32.600 -0.034 0.000 1.639 323 M HN 0.458 nan 8.290 nan 0.000 0.451 324 I N 5.792 126.171 120.570 -0.319 0.000 2.441 324 I HA 0.215 4.386 4.170 0.003 0.000 0.287 324 I C -0.821 174.984 176.117 -0.521 0.000 1.049 324 I CA -0.346 60.571 61.300 -0.638 0.000 1.381 324 I CB 0.754 38.012 38.000 -1.237 0.000 1.409 324 I HN 0.611 nan 8.210 nan 0.000 0.523 325 L N 6.760 127.704 121.223 -0.464 0.000 2.325 325 L HA 0.762 5.104 4.340 0.003 0.000 0.281 325 L C -0.173 176.397 176.870 -0.500 0.000 1.004 325 L CA -0.391 54.190 54.840 -0.431 0.000 0.823 325 L CB 1.576 43.361 42.059 -0.457 0.000 1.236 325 L HN 0.687 nan 8.230 nan 0.000 0.415 326 A N 3.825 126.557 122.820 -0.148 0.000 2.498 326 A HA 0.859 5.181 4.320 0.003 0.000 0.298 326 A C -1.321 176.539 177.584 0.460 0.000 1.075 326 A CA -0.552 51.582 52.037 0.162 0.000 0.714 326 A CB 2.132 21.183 19.000 0.084 0.000 1.299 326 A HN 0.702 nan 8.150 nan 0.000 0.407 327 Q N 0.372 120.438 119.800 0.443 0.000 2.379 327 Q HA 0.669 5.010 4.340 0.003 0.000 0.278 327 Q C -0.486 175.310 176.000 -0.339 0.000 1.068 327 Q CA -0.635 55.257 55.803 0.148 0.000 0.816 327 Q CB 1.659 30.462 28.738 0.109 0.000 1.387 327 Q HN 0.662 nan 8.270 nan 0.000 0.413 328 S N 0.366 115.426 115.700 -1.066 0.000 2.558 328 S HA 0.012 4.484 4.470 0.003 0.000 0.287 328 S C 0.665 175.065 174.600 -0.334 0.000 1.321 328 S CA -0.195 57.391 58.200 -1.024 0.000 1.048 328 S CB 0.431 63.163 63.200 -0.780 0.000 0.844 328 S HN 0.501 nan 8.310 nan 0.000 0.512 329 V N 4.667 124.469 119.914 -0.185 0.000 3.633 329 V HA 0.017 4.139 4.120 0.003 0.000 0.283 329 V C 1.963 178.031 176.094 -0.043 0.000 1.305 329 V CA 0.904 63.166 62.300 -0.062 0.000 1.153 329 V CB -0.578 31.243 31.823 -0.005 0.000 0.950 329 V HN 0.947 nan 8.190 nan 0.000 0.432 330 S N -0.871 114.792 115.700 -0.062 0.000 2.470 330 S HA 0.049 4.521 4.470 0.003 0.000 0.225 330 S C 1.008 175.601 174.600 -0.012 0.000 1.006 330 S CA 0.086 58.275 58.200 -0.018 0.000 0.934 330 S CB 0.031 63.235 63.200 0.005 0.000 0.778 330 S HN 0.679 nan 8.310 nan 0.000 0.517 331 Q N 1.069 120.852 119.800 -0.029 0.000 2.214 331 Q HA 0.368 4.710 4.340 0.003 0.000 0.168 331 Q C -0.513 175.479 176.000 -0.013 0.000 1.047 331 Q CA -0.796 55.001 55.803 -0.010 0.000 1.102 331 Q CB 0.098 28.837 28.738 0.002 0.000 1.458 331 Q HN 0.350 nan 8.270 nan 0.000 0.561 332 N N 0.165 118.858 118.700 -0.011 0.000 2.499 332 N HA 0.123 4.865 4.740 0.003 0.000 0.281 332 N C -2.153 173.342 175.510 -0.024 0.000 1.098 332 N CA -1.336 51.705 53.050 -0.015 0.000 0.979 332 N CB 1.107 39.584 38.487 -0.016 0.000 1.121 332 N HN 0.149 nan 8.380 nan 0.000 0.466 333 P HA -0.006 nan 4.420 nan 0.000 0.219 333 P C -0.453 176.829 177.300 -0.029 0.000 1.150 333 P CA 1.002 64.094 63.100 -0.015 0.000 0.814 333 P CB 0.252 31.955 31.700 0.005 0.000 0.787 334 N N 0.649 119.335 118.700 -0.025 0.000 3.052 334 N HA 0.049 4.791 4.740 0.003 0.000 0.302 334 N C -0.482 175.001 175.510 -0.045 0.000 1.332 334 N CA 0.407 53.441 53.050 -0.026 0.000 1.129 334 N CB -0.203 38.278 38.487 -0.010 0.000 1.436 334 N HN 0.128 nan 8.380 nan 0.000 0.536 335 D N -0.258 120.095 120.400 -0.079 0.000 3.220 335 D HA 0.170 4.812 4.640 0.003 0.000 0.309 335 D C -2.731 173.484 176.300 -0.142 0.000 1.276 335 D CA -1.211 52.741 54.000 -0.081 0.000 0.736 335 D CB 0.530 41.301 40.800 -0.048 0.000 1.304 335 D HN -0.082 nan 8.370 nan 0.000 0.582 336 P HA -0.023 nan 4.420 nan 0.000 0.225 336 P C -1.155 176.013 177.300 -0.220 0.000 1.054 336 P CA 0.734 63.515 63.100 -0.532 0.000 1.244 336 P CB -0.360 31.118 31.700 -0.371 0.000 1.310 337 H N 2.931 121.860 119.070 -0.235 0.000 2.529 337 H HA 0.406 4.964 4.556 0.003 0.000 0.348 337 H C -0.759 174.679 175.328 0.182 0.000 1.079 337 H CA -1.297 54.765 56.048 0.023 0.000 1.198 337 H CB 0.702 30.480 29.762 0.026 0.000 1.521 337 H HN 0.008 nan 8.280 nan 0.000 0.514 338 L N 5.103 126.242 121.223 -0.140 0.000 2.584 338 L HA 0.207 4.549 4.340 0.003 0.000 0.272 338 L C 1.004 177.675 176.870 -0.332 0.000 1.195 338 L CA 1.496 56.280 54.840 -0.094 0.000 0.920 338 L CB 0.233 42.321 42.059 0.048 0.000 1.173 338 L HN 1.010 nan 8.230 nan 0.000 0.489 339 G N 3.114 111.929 108.800 0.025 0.000 2.828 339 G HA2 0.071 4.032 3.960 0.003 0.000 0.201 339 G HA3 0.071 4.032 3.960 0.003 0.000 0.201 339 G C -0.411 174.666 174.900 0.295 0.000 1.102 339 G CA 0.253 45.495 45.100 0.236 0.000 0.815 339 G HN 0.637 nan 8.290 nan 0.000 0.590 340 H N -0.943 118.150 119.070 0.039 0.000 3.068 340 H HA 0.674 5.232 4.556 0.003 0.000 0.342 340 H C -1.387 173.801 175.328 -0.233 0.000 1.284 340 H CA -0.316 55.615 56.048 -0.195 0.000 1.181 340 H CB 1.592 31.084 29.762 -0.449 0.000 1.898 340 H HN 0.344 nan 8.280 nan 0.000 0.540 341 A N 3.197 125.569 122.820 -0.746 0.000 2.414 341 A HA 0.741 5.063 4.320 0.003 0.000 0.306 341 A C -1.699 175.398 177.584 -0.811 0.000 1.054 341 A CA -0.467 51.208 52.037 -0.604 0.000 0.724 341 A CB 0.952 19.749 19.000 -0.339 0.000 1.267 341 A HN 0.394 nan 8.150 nan 0.000 0.418 342 L N 0.299 121.148 121.223 -0.623 0.000 2.250 342 L HA 0.907 5.249 4.340 0.003 0.000 0.252 342 L C 0.279 176.978 176.870 -0.286 0.000 1.054 342 L CA -0.417 54.104 54.840 -0.532 0.000 0.856 342 L CB 1.807 43.528 42.059 -0.563 0.000 1.443 342 L HN 0.883 nan 8.230 nan 0.000 0.427 343 A N 0.037 122.806 122.820 -0.086 0.000 2.318 343 A HA 0.758 5.080 4.320 0.003 0.000 0.317 343 A C -0.931 176.663 177.584 0.017 0.000 1.159 343 A CA -0.602 51.478 52.037 0.072 0.000 0.799 343 A CB 1.094 20.343 19.000 0.416 0.000 1.194 343 A HN 0.352 nan 8.150 nan 0.000 0.479 344 V N 3.157 123.053 119.914 -0.031 0.000 2.583 344 V HA 0.163 4.284 4.120 0.003 0.000 0.287 344 V C 0.888 176.899 176.094 -0.138 0.000 1.051 344 V CA 0.126 62.414 62.300 -0.020 0.000 1.010 344 V CB 1.415 33.260 31.823 0.038 0.000 0.988 344 V HN 0.732 nan 8.190 nan 0.000 0.478 345 V N 3.034 122.824 119.914 -0.207 0.000 3.570 345 V HA 0.578 4.700 4.120 0.003 0.000 0.257 345 V C 0.889 176.861 176.094 -0.203 0.000 1.272 345 V CA 1.103 63.167 62.300 -0.393 0.000 1.079 345 V CB 0.175 31.625 31.823 -0.621 0.000 0.829 345 V HN 1.103 nan 8.190 nan 0.000 0.454 346 G N 0.743 109.472 108.800 -0.118 0.000 2.360 346 G HA2 0.228 4.189 3.960 0.003 0.000 0.276 346 G HA3 0.228 4.189 3.960 0.003 0.000 0.276 346 G C -2.000 172.858 174.900 -0.070 0.000 1.256 346 G CA -0.046 44.992 45.100 -0.104 0.000 0.890 346 G HN 0.293 nan 8.290 nan 0.000 0.486 347 N N -0.274 118.365 118.700 -0.102 0.000 2.647 347 N HA 0.837 5.579 4.740 0.003 0.000 0.266 347 N C -0.594 174.906 175.510 -0.017 0.000 1.373 347 N CA -0.045 52.983 53.050 -0.038 0.000 0.807 347 N CB 2.009 40.367 38.487 -0.215 0.000 1.513 347 N HN 1.899 nan 8.380 nan 0.000 0.505 348 A N -0.159 122.762 122.820 0.168 0.000 2.599 348 A HA 0.641 4.963 4.320 0.003 0.000 0.290 348 A C -1.592 176.136 177.584 0.240 0.000 1.101 348 A CA -0.796 51.309 52.037 0.114 0.000 0.674 348 A CB 1.636 20.600 19.000 -0.059 0.000 1.277 348 A HN 0.635 nan 8.150 nan 0.000 0.419 349 K N 1.274 121.785 120.400 0.185 0.000 2.535 349 K HA 0.667 4.989 4.320 0.003 0.000 0.253 349 K C -1.708 174.893 176.600 0.002 0.000 0.953 349 K CA -0.243 56.097 56.287 0.088 0.000 0.863 349 K CB 0.869 33.454 32.500 0.143 0.000 1.111 349 K HN 0.611 nan 8.250 nan 0.000 0.431 350 I N 3.548 124.075 120.570 -0.072 0.000 2.433 350 I HA 0.190 4.362 4.170 0.003 0.000 0.292 350 I C -0.037 176.053 176.117 -0.044 0.000 1.001 350 I CA -0.889 60.352 61.300 -0.099 0.000 1.119 350 I CB 1.684 39.530 38.000 -0.257 0.000 1.289 350 I HN 0.709 nan 8.210 nan 0.000 0.438 351 N N 4.146 122.831 118.700 -0.025 0.000 2.716 351 N HA -0.251 4.490 4.740 0.003 0.000 0.250 351 N C 0.176 175.678 175.510 -0.014 0.000 1.033 351 N CA 1.515 54.560 53.050 -0.010 0.000 0.727 351 N CB -0.954 37.539 38.487 0.011 0.000 0.950 351 N HN 0.933 nan 8.380 nan 0.000 0.541 352 D N -1.473 118.913 120.400 -0.024 0.000 3.041 352 D HA -0.206 4.436 4.640 0.003 0.000 0.220 352 D C -0.674 175.590 176.300 -0.061 0.000 1.157 352 D CA 1.496 55.473 54.000 -0.039 0.000 0.876 352 D CB -0.633 40.148 40.800 -0.032 0.000 1.107 352 D HN 0.664 nan 8.370 nan 0.000 0.422 353 Q N 0.047 119.809 119.800 -0.063 0.000 2.375 353 Q HA 0.393 4.734 4.340 0.003 0.000 0.271 353 Q C -0.545 175.371 176.000 -0.140 0.000 1.074 353 Q CA -0.887 54.865 55.803 -0.086 0.000 0.808 353 Q CB 1.641 30.365 28.738 -0.023 0.000 1.327 353 Q HN 0.265 nan 8.270 nan 0.000 0.441 354 E N 2.567 122.618 120.200 -0.247 0.000 2.344 354 E HA 0.157 4.509 4.350 0.003 0.000 0.270 354 E C -0.542 176.011 176.600 -0.078 0.000 1.021 354 E CA 0.057 56.219 56.400 -0.397 0.000 0.887 354 E CB 0.633 29.873 29.700 -0.766 0.000 0.997 354 E HN 0.121 nan 8.360 nan 0.000 0.429 355 K N 2.384 122.833 120.400 0.082 0.000 2.482 355 K HA 0.534 4.856 4.320 0.003 0.000 0.257 355 K C -0.646 176.088 176.600 0.224 0.000 0.969 355 K CA -0.785 55.575 56.287 0.123 0.000 0.842 355 K CB 1.775 34.259 32.500 -0.028 0.000 1.359 355 K HN 0.371 nan 8.250 nan 0.000 0.441 356 L N 2.071 123.421 121.223 0.211 0.000 2.346 356 L HA 0.573 4.915 4.340 0.003 0.000 0.274 356 L C -0.226 176.763 176.870 0.198 0.000 1.007 356 L CA -1.002 53.973 54.840 0.226 0.000 0.818 356 L CB 1.485 43.734 42.059 0.317 0.000 1.284 356 L HN 0.408 nan 8.230 nan 0.000 0.424 357 I N 2.882 123.516 120.570 0.106 0.000 2.377 357 I HA 0.405 4.577 4.170 0.003 0.000 0.293 357 I C -0.854 175.298 176.117 0.060 0.000 0.987 357 I CA -0.605 60.693 61.300 -0.004 0.000 1.185 357 I CB 1.320 39.264 38.000 -0.093 0.000 1.341 357 I HN 0.503 nan 8.210 nan 0.000 0.455 358 Y N 3.928 124.192 120.300 -0.059 0.000 2.689 358 Y HA 0.641 5.194 4.550 0.004 0.000 0.333 358 Y C -1.866 174.047 175.900 0.023 0.000 1.190 358 Y CA -1.555 56.497 58.100 -0.080 0.000 1.063 358 Y CB 1.126 39.521 38.460 -0.108 0.000 1.294 358 Y HN 0.547 nan 8.280 nan 0.000 0.466 359 W N 3.599 124.916 121.300 0.028 0.000 2.554 359 W HA 0.495 5.159 4.660 0.007 0.000 0.324 359 W C -1.494 175.086 176.519 0.101 0.000 1.018 359 W CA -1.262 56.101 57.345 0.031 0.000 1.243 359 W CB 1.528 31.055 29.460 0.112 0.000 1.345 359 W HN 0.659 nan 8.180 nan 0.000 0.441 360 N N 7.359 125.826 118.700 -0.388 0.000 2.408 360 N HA 0.193 4.934 4.740 0.003 0.000 0.257 360 N C -1.700 173.060 175.510 -1.251 0.000 1.064 360 N CA -1.628 51.040 53.050 -0.636 0.000 0.952 360 N CB 2.069 40.438 38.487 -0.197 0.000 1.093 360 N HN 0.196 nan 8.380 nan 0.000 0.490 361 P HA -0.117 nan 4.420 nan 0.000 0.219 361 P C 0.679 177.636 177.300 -0.572 0.000 1.145 361 P CA 1.144 63.391 63.100 -1.421 0.000 0.813 361 P CB 0.059 31.174 31.700 -0.975 0.000 0.771 362 W N -0.585 120.513 121.300 -0.337 0.000 2.800 362 W HA 0.095 4.756 4.660 0.002 0.000 0.249 362 W C 0.129 176.655 176.519 0.011 0.000 1.294 362 W CA 0.230 57.499 57.345 -0.127 0.000 1.402 362 W CB -0.843 28.580 29.460 -0.062 0.000 1.126 362 W HN 0.068 nan 8.180 nan 0.000 0.652 363 D N -0.917 119.625 120.400 0.237 0.000 2.326 363 D HA 0.174 4.816 4.640 0.003 0.000 0.251 363 D C 1.352 177.941 176.300 0.482 0.000 1.023 363 D CA 0.027 54.225 54.000 0.331 0.000 0.966 363 D CB 1.361 42.337 40.800 0.294 0.000 1.156 363 D HN -0.203 nan 8.370 nan 0.000 0.494 364 T N -3.198 111.569 114.554 0.355 0.000 3.069 364 T HA 0.253 4.605 4.350 0.003 0.000 0.252 364 T C 0.408 175.263 174.700 0.258 0.000 1.053 364 T CA -0.067 62.214 62.100 0.302 0.000 0.964 364 T CB 0.474 69.460 68.868 0.198 0.000 1.005 364 T HN 0.310 nan 8.240 nan 0.000 0.532 365 E N 0.154 120.535 120.200 0.301 0.000 2.456 365 E HA 0.597 4.949 4.350 0.003 0.000 0.276 365 E C -0.927 175.830 176.600 0.261 0.000 0.981 365 E CA -1.026 55.512 56.400 0.231 0.000 0.814 365 E CB 1.933 31.757 29.700 0.207 0.000 1.382 365 E HN 0.095 nan 8.360 nan 0.000 0.459 366 L N 0.401 121.707 121.223 0.138 0.000 2.490 366 L HA 0.438 4.780 4.340 0.003 0.000 0.245 366 L C 0.103 176.917 176.870 -0.093 0.000 1.185 366 L CA -0.239 54.631 54.840 0.050 0.000 0.813 366 L CB 0.729 42.763 42.059 -0.042 0.000 1.233 366 L HN 0.385 nan 8.230 nan 0.000 0.489 367 S N 0.108 115.614 115.700 -0.324 0.000 2.569 367 S HA 0.708 5.180 4.470 0.003 0.000 0.280 367 S C -0.777 173.532 174.600 -0.484 0.000 1.111 367 S CA -0.536 57.387 58.200 -0.462 0.000 0.887 367 S CB 2.106 64.831 63.200 -0.790 0.000 1.095 367 S HN 0.314 nan 8.310 nan 0.000 0.476 368 I N 1.853 122.292 120.570 -0.218 0.000 2.582 368 I HA 0.565 4.737 4.170 0.003 0.000 0.292 368 I C -0.501 175.713 176.117 0.162 0.000 1.066 368 I CA -0.463 60.793 61.300 -0.074 0.000 1.053 368 I CB 2.122 40.029 38.000 -0.155 0.000 1.241 368 I HN 0.535 nan 8.210 nan 0.000 0.421 369 Q N 3.221 123.169 119.800 0.247 0.000 2.482 369 Q HA 0.284 4.626 4.340 0.003 0.000 0.286 369 Q C -1.741 174.426 176.000 0.279 0.000 1.007 369 Q CA -0.851 55.162 55.803 0.351 0.000 0.801 369 Q CB 2.455 31.446 28.738 0.421 0.000 1.455 369 Q HN 0.548 nan 8.270 nan 0.000 0.398 370 D N 1.452 122.011 120.400 0.266 0.000 2.583 370 D HA 0.035 4.676 4.640 0.003 0.000 0.232 370 D C 0.604 177.002 176.300 0.165 0.000 1.128 370 D CA 0.981 55.092 54.000 0.185 0.000 0.859 370 D CB 1.002 41.891 40.800 0.149 0.000 1.169 370 D HN 0.635 nan 8.370 nan 0.000 0.481 371 A N 3.309 126.206 122.820 0.130 0.000 2.015 371 A HA -0.150 4.172 4.320 0.003 0.000 0.219 371 A C 1.341 178.966 177.584 0.067 0.000 1.163 371 A CA 1.153 53.272 52.037 0.137 0.000 0.646 371 A CB -0.106 18.999 19.000 0.175 0.000 0.806 371 A HN 0.639 nan 8.150 nan 0.000 0.448 372 D N 0.095 120.521 120.400 0.044 0.000 2.395 372 D HA 0.061 4.703 4.640 0.003 0.000 0.226 372 D C 0.239 176.554 176.300 0.025 0.000 1.146 372 D CA 0.463 54.469 54.000 0.011 0.000 0.830 372 D CB -0.616 40.182 40.800 -0.003 0.000 0.958 372 D HN 0.311 nan 8.370 nan 0.000 0.501 373 S N -0.548 115.191 115.700 0.065 0.000 2.525 373 S HA 0.457 4.928 4.470 0.003 0.000 0.290 373 S C 0.618 175.281 174.600 0.105 0.000 1.152 373 S CA -0.522 57.729 58.200 0.084 0.000 1.072 373 S CB 1.722 64.993 63.200 0.118 0.000 1.027 373 S HN 0.113 nan 8.310 nan 0.000 0.500 374 S N 1.898 117.659 115.700 0.102 0.000 2.663 374 S HA 0.378 4.850 4.470 0.003 0.000 0.243 374 S C -0.380 174.342 174.600 0.202 0.000 1.009 374 S CA -0.441 57.847 58.200 0.146 0.000 0.988 374 S CB -0.421 62.825 63.200 0.076 0.000 0.896 374 S HN 0.516 nan 8.310 nan 0.000 0.502 375 L N 1.854 123.183 121.223 0.177 0.000 2.362 375 L HA 0.609 4.951 4.340 0.003 0.000 0.275 375 L C -0.847 176.132 176.870 0.183 0.000 0.998 375 L CA -0.803 54.145 54.840 0.180 0.000 0.820 375 L CB 1.815 43.961 42.059 0.145 0.000 1.270 375 L HN 0.326 nan 8.230 nan 0.000 0.415 376 L N 3.564 124.902 121.223 0.190 0.000 2.294 376 L HA 0.361 4.703 4.340 0.003 0.000 0.283 376 L C -0.758 176.245 176.870 0.221 0.000 1.015 376 L CA -0.753 54.180 54.840 0.155 0.000 0.831 376 L CB 1.168 43.250 42.059 0.038 0.000 1.217 376 L HN 0.548 nan 8.230 nan 0.000 0.420 377 H N 4.074 123.228 119.070 0.139 0.000 2.723 377 H HA 0.475 5.033 4.556 0.003 0.000 0.294 377 H C -0.544 174.889 175.328 0.175 0.000 1.079 377 H CA 0.055 56.194 56.048 0.151 0.000 1.411 377 H CB 0.530 30.352 29.762 0.100 0.000 1.439 377 H HN 0.425 nan 8.280 nan 0.000 0.474 378 L N 2.126 123.246 121.223 -0.173 0.000 2.664 378 L HA 0.451 4.792 4.340 0.003 0.000 0.253 378 L C 0.659 177.517 176.870 -0.019 0.000 1.293 378 L CA -1.170 53.678 54.840 0.013 0.000 1.280 378 L CB 0.393 42.479 42.059 0.045 0.000 1.993 378 L HN 0.591 nan 8.230 nan 0.000 0.577 379 S N -1.183 114.512 115.700 -0.010 0.000 2.617 379 S HA 0.174 4.646 4.470 0.003 0.000 0.259 379 S C 0.149 174.724 174.600 -0.041 0.000 1.301 379 S CA -0.303 57.719 58.200 -0.296 0.000 0.984 379 S CB 0.424 63.246 63.200 -0.629 0.000 0.954 379 S HN 0.557 nan 8.310 nan 0.000 0.572 380 F N 0.937 120.735 119.950 -0.252 0.000 3.084 380 F HA -0.285 4.244 4.527 0.003 0.000 0.286 380 F C 0.596 176.387 175.800 -0.015 0.000 0.855 380 F CA 1.060 59.011 58.000 -0.081 0.000 1.091 380 F CB -2.165 36.809 39.000 -0.043 0.000 1.177 380 F HN 1.029 nan 8.300 nan 0.000 0.542 381 N N 0.597 119.276 118.700 -0.036 0.000 2.721 381 N HA -0.282 4.460 4.740 0.003 0.000 0.249 381 N C -0.106 175.398 175.510 -0.011 0.000 1.072 381 N CA 1.497 54.544 53.050 -0.004 0.000 0.710 381 N CB -0.492 37.966 38.487 -0.048 0.000 0.993 381 N HN 0.705 nan 8.380 nan 0.000 0.547 382 R N 0.149 120.633 120.500 -0.026 0.000 2.540 382 R HA 0.403 4.745 4.340 0.003 0.000 0.287 382 R C -0.834 175.530 176.300 0.107 0.000 0.980 382 R CA -0.649 55.514 56.100 0.105 0.000 0.966 382 R CB 0.941 31.421 30.300 0.300 0.000 1.106 382 R HN 0.164 nan 8.270 nan 0.000 0.480 383 D N 2.098 122.608 120.400 0.183 0.000 2.425 383 D HA 0.176 4.818 4.640 0.003 0.000 0.240 383 D C -1.005 175.434 176.300 0.232 0.000 1.080 383 D CA -0.267 53.877 54.000 0.241 0.000 0.836 383 D CB 1.441 42.366 40.800 0.208 0.000 1.125 383 D HN 0.283 nan 8.370 nan 0.000 0.525 384 Y N 1.348 121.707 120.300 0.098 0.000 2.320 384 Y HA 0.150 4.703 4.550 0.004 0.000 0.334 384 Y C 1.027 177.005 175.900 0.130 0.000 1.055 384 Y CA -0.635 57.531 58.100 0.109 0.000 1.143 384 Y CB 1.000 39.515 38.460 0.092 0.000 1.193 384 Y HN 0.231 nan 8.280 nan 0.000 0.477 385 N N 2.821 121.659 118.700 0.231 0.000 2.472 385 N HA -0.007 4.735 4.740 0.003 0.000 0.277 385 N C -0.928 174.792 175.510 0.349 0.000 1.081 385 N CA -0.518 52.684 53.050 0.254 0.000 0.973 385 N CB 0.524 39.132 38.487 0.202 0.000 1.105 385 N HN 0.677 nan 8.380 nan 0.000 0.470 386 W N 7.302 128.653 121.300 0.084 0.000 2.510 386 W HA 0.068 4.730 4.660 0.003 0.000 0.388 386 W C -0.077 176.461 176.519 0.032 0.000 1.092 386 W CA -0.977 56.365 57.345 -0.004 0.000 1.562 386 W CB -0.860 28.563 29.460 -0.062 0.000 1.603 386 W HN 0.599 nan 8.180 nan 0.000 0.396 387 Y N 3.409 123.950 120.300 0.401 0.000 2.490 387 Y HA 0.491 5.043 4.550 0.003 0.000 0.285 387 Y C 0.916 176.980 175.900 0.274 0.000 1.117 387 Y CA 0.530 58.787 58.100 0.262 0.000 1.262 387 Y CB -0.283 38.306 38.460 0.215 0.000 1.043 387 Y HN 0.193 nan 8.280 nan 0.000 0.553 388 G N -0.785 108.010 108.800 -0.008 0.000 2.489 388 G HA2 0.540 4.502 3.960 0.003 0.000 0.305 388 G HA3 0.540 4.502 3.960 0.003 0.000 0.305 388 G C -1.674 173.307 174.900 0.134 0.000 1.311 388 G CA -0.551 44.586 45.100 0.061 0.000 0.813 388 G HN 0.158 nan 8.290 nan 0.000 0.480 389 S N -0.584 115.159 115.700 0.071 0.000 2.596 389 S HA 0.674 5.146 4.470 0.003 0.000 0.270 389 S C -0.895 173.786 174.600 0.134 0.000 1.155 389 S CA -0.807 57.480 58.200 0.145 0.000 0.827 389 S CB 1.800 65.125 63.200 0.207 0.000 1.130 389 S HN 0.564 nan 8.310 nan 0.000 0.467 390 M N 2.450 122.126 119.600 0.126 0.000 2.066 390 M HA 0.464 4.946 4.480 0.003 0.000 0.340 390 M C -1.128 175.216 176.300 0.074 0.000 1.053 390 M CA -0.076 55.307 55.300 0.138 0.000 0.983 390 M CB 0.132 32.805 32.600 0.122 0.000 1.520 390 M HN 0.540 nan 8.290 nan 0.000 0.428 391 I N 2.223 122.838 120.570 0.075 0.000 2.312 391 I HA 0.343 4.515 4.170 0.003 0.000 0.290 391 I C 0.960 177.020 176.117 -0.095 0.000 1.008 391 I CA -0.543 60.712 61.300 -0.075 0.000 1.226 391 I CB 1.623 39.529 38.000 -0.155 0.000 1.371 391 I HN 0.766 nan 8.210 nan 0.000 0.468 392 G N 6.535 115.250 108.800 -0.142 0.000 2.770 392 G HA2 0.299 4.260 3.960 0.003 0.000 0.307 392 G HA3 0.299 4.260 3.960 0.003 0.000 0.307 392 G C -0.410 174.412 174.900 -0.131 0.000 0.863 392 G CA -0.148 44.913 45.100 -0.065 0.000 1.595 392 G HN 0.398 nan 8.290 nan 0.000 0.496 393 Y N 0.593 120.886 120.300 -0.012 0.000 2.296 393 Y HA 0.302 4.855 4.550 0.004 0.000 0.343 393 Y C 1.275 177.164 175.900 -0.019 0.000 1.292 393 Y CA -0.512 57.562 58.100 -0.043 0.000 1.490 393 Y CB 0.719 39.108 38.460 -0.119 0.000 1.359 393 Y HN 0.200 nan 8.280 nan 0.000 0.599 394 L N 1.371 122.690 121.223 0.160 0.000 2.371 394 L HA 0.183 4.525 4.340 0.003 0.000 0.272 394 L C 0.255 177.174 176.870 0.082 0.000 1.124 394 L CA -0.612 54.280 54.840 0.086 0.000 0.816 394 L CB 0.600 42.695 42.059 0.060 0.000 1.129 394 L HN 0.595 nan 8.230 nan 0.000 0.448 395 E N 1.410 121.645 120.200 0.059 0.000 2.436 395 E HA 0.070 4.422 4.350 0.003 0.000 0.262 395 E C -0.864 175.757 176.600 0.035 0.000 1.063 395 E CA 0.101 56.530 56.400 0.050 0.000 0.944 395 E CB 1.137 30.857 29.700 0.034 0.000 0.950 395 E HN 0.282 nan 8.360 nan 0.000 0.444 396 V N 4.908 124.839 119.914 0.028 0.000 2.435 396 V HA 0.497 4.619 4.120 0.003 0.000 0.290 396 V C -1.981 174.120 176.094 0.012 0.000 1.030 396 V CA -1.319 60.989 62.300 0.015 0.000 0.881 396 V CB 0.970 32.796 31.823 0.005 0.000 0.983 396 V HN 0.809 nan 8.190 nan 0.000 0.445 397 P HA 0.000 nan 4.420 nan 0.000 0.216 397 P CA 0.000 63.103 63.100 0.006 0.000 0.800 397 P CB 0.000 31.703 31.700 0.005 0.000 0.726