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 1hj4_1_A DATA FIRST_RESID 17 DATA SEQUENCE HKTRTDNRYE PSLDNLAQQD VAAPGAPEGV SALSDAQYNE ANKIYFERCA DATA SEQUENCE GCHGVLRKGA TGKALTPDLT RDLGFDYLQS FITYGSPAGM PNWGTSGELS DATA SEQUENCE AEQVDLMANY LLLDPAAPPE FGMKEMRESW KVHVAPEDRP TQQENDWDLE DATA SEQUENCE NLFSVTLRDA GQIALIDGAT YEIKSVLDTG YAVHISRLSA SGRYLFVIGR DATA SEQUENCE DGKVNMIDLW MKEPTTVAEI KIGSEARSIE TSKMEGWEDK YAIAGAYWPP DATA SEQUENCE QYVIMDGETL EPKKIQSTRG MTYDEQEYHP EPRVAAILAS HYRPEFIVNV DATA SEQUENCE KETGKILLVD YTDLDNLKTT EISAERFLHD GGLDGSHRYF ITAANARNKL DATA SEQUENCE VVIDTKEGKL VAIEDTGGQT PHPGRGANFV HPTFGPVWAT SHMGDDSVAL DATA SEQUENCE IGTDPEGHPD NAWKILDSFP ALGGGSLFIK THPNSQYLYV DATLNPEAEI DATA SEQUENCE SGSVAVFDIK AMTGDGSDPE FKTLPIAEWA GITEGQPRVV QGEFNKDGTE DATA SEQUENCE VWFSVWNGKD QESALVVVDD KTLELKHVIK DERLVTPTGK FNVYNTMTDT DATA SEQUENCE Y 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 17 H HA 0.000 nan 4.556 nan 0.000 0.296 17 H C 0.000 175.310 175.328 -0.030 0.000 0.993 17 H CA 0.000 56.062 56.048 0.023 0.000 1.023 17 H CB 0.000 29.763 29.762 0.002 0.000 1.292 18 K N 1.652 122.053 120.400 0.002 0.000 2.156 18 K HA 0.315 4.637 4.320 0.003 0.000 0.250 18 K C -0.024 176.544 176.600 -0.052 0.000 0.955 18 K CA -0.512 55.752 56.287 -0.038 0.000 0.855 18 K CB 1.674 34.144 32.500 -0.050 0.000 1.101 18 K HN -0.024 nan 8.250 nan 0.000 0.434 19 T N 2.840 117.359 114.554 -0.059 0.000 2.784 19 T HA 0.081 4.433 4.350 0.003 0.000 0.291 19 T C 0.629 175.297 174.700 -0.053 0.000 0.942 19 T CA 0.319 62.381 62.100 -0.063 0.000 1.161 19 T CB 0.225 69.053 68.868 -0.067 0.000 0.885 19 T HN 0.317 nan 8.240 nan 0.000 0.534 20 R N 1.450 121.919 120.500 -0.051 0.000 2.810 20 R HA 0.426 4.768 4.340 0.003 0.000 0.245 20 R C 1.794 178.068 176.300 -0.042 0.000 1.168 20 R CA -0.500 55.574 56.100 -0.043 0.000 1.096 20 R CB 0.651 30.927 30.300 -0.039 0.000 1.259 20 R HN 0.660 nan 8.270 nan 0.000 0.518 21 T N -2.657 111.875 114.554 -0.037 0.000 3.067 21 T HA -0.031 4.321 4.350 0.003 0.000 0.261 21 T C 0.528 175.207 174.700 -0.036 0.000 1.110 21 T CA 0.835 62.913 62.100 -0.036 0.000 1.113 21 T CB -0.052 68.797 68.868 -0.031 0.000 0.917 21 T HN 0.704 nan 8.240 nan 0.000 0.499 22 D N 1.147 121.527 120.400 -0.033 0.000 2.501 22 D HA 0.068 4.710 4.640 0.003 0.000 0.224 22 D C 0.544 176.827 176.300 -0.028 0.000 1.202 22 D CA -0.428 53.553 54.000 -0.031 0.000 0.829 22 D CB -0.590 40.197 40.800 -0.022 0.000 1.023 22 D HN 0.559 nan 8.370 nan 0.000 0.499 23 N N 0.350 119.030 118.700 -0.033 0.000 2.365 23 N HA 0.109 4.851 4.740 0.003 0.000 0.257 23 N C 0.516 176.002 175.510 -0.041 0.000 1.287 23 N CA -0.436 52.588 53.050 -0.043 0.000 0.882 23 N CB 0.068 38.518 38.487 -0.061 0.000 1.250 23 N HN 0.026 nan 8.380 nan 0.000 0.507 24 R N -1.246 119.247 120.500 -0.011 0.000 2.365 24 R HA 0.162 4.503 4.340 0.003 0.000 0.223 24 R C -0.208 176.115 176.300 0.038 0.000 0.899 24 R CA -0.055 56.031 56.100 -0.024 0.000 1.059 24 R CB 0.140 30.418 30.300 -0.035 0.000 1.086 24 R HN 0.114 nan 8.270 nan 0.000 0.522 25 Y N 2.413 122.678 120.300 -0.057 0.000 2.882 25 Y HA 0.206 4.758 4.550 0.003 0.000 0.361 25 Y C -0.358 175.539 175.900 -0.006 0.000 1.058 25 Y CA -0.394 57.700 58.100 -0.011 0.000 1.575 25 Y CB 0.093 38.515 38.460 -0.062 0.000 1.383 25 Y HN -0.157 nan 8.280 nan 0.000 0.515 26 E N 1.319 121.508 120.200 -0.019 0.000 2.204 26 E HA 0.298 4.650 4.350 0.003 0.000 0.276 26 E C -2.417 174.180 176.600 -0.004 0.000 0.974 26 E CA -2.344 54.035 56.400 -0.035 0.000 0.815 26 E CB 0.887 30.550 29.700 -0.061 0.000 1.119 26 E HN 0.192 nan 8.360 nan 0.000 0.393 27 P HA -0.073 nan 4.420 nan 0.000 0.261 27 P C -0.455 176.926 177.300 0.135 0.000 1.173 27 P CA 0.419 63.630 63.100 0.184 0.000 0.760 27 P CB 0.417 32.217 31.700 0.167 0.000 0.783 28 S N 2.976 118.807 115.700 0.218 0.000 2.498 28 S HA 0.359 4.831 4.470 0.003 0.000 0.324 28 S C -0.233 174.500 174.600 0.222 0.000 1.071 28 S CA -0.676 57.649 58.200 0.208 0.000 1.113 28 S CB -0.308 63.078 63.200 0.309 0.000 0.976 28 S HN 0.147 nan 8.310 nan 0.000 0.462 29 L N 5.569 126.884 121.223 0.154 0.000 2.648 29 L HA 0.307 4.649 4.340 0.003 0.000 0.238 29 L C 0.825 177.814 176.870 0.198 0.000 1.316 29 L CA -0.021 54.911 54.840 0.153 0.000 1.241 29 L CB 0.046 42.131 42.059 0.044 0.000 1.499 29 L HN 0.659 nan 8.230 nan 0.000 0.411 30 D N -2.127 118.393 120.400 0.200 0.000 2.323 30 D HA -0.125 4.517 4.640 0.003 0.000 0.209 30 D C 1.648 178.035 176.300 0.145 0.000 0.973 30 D CA 0.503 54.613 54.000 0.183 0.000 0.874 30 D CB 0.062 40.985 40.800 0.205 0.000 0.930 30 D HN 0.301 nan 8.370 nan 0.000 0.521 31 N N -0.121 118.663 118.700 0.140 0.000 2.207 31 N HA -0.070 4.672 4.740 0.003 0.000 0.182 31 N C 1.486 177.082 175.510 0.143 0.000 1.020 31 N CA 0.434 53.550 53.050 0.110 0.000 0.858 31 N CB -0.175 38.368 38.487 0.093 0.000 0.991 31 N HN 0.120 nan 8.380 nan 0.000 0.427 32 L N 0.453 121.794 121.223 0.197 0.000 2.201 32 L HA 0.188 4.530 4.340 0.003 0.000 0.212 32 L C 1.919 179.002 176.870 0.355 0.000 1.105 32 L CA 1.427 56.434 54.840 0.278 0.000 0.775 32 L CB -0.848 41.373 42.059 0.269 0.000 0.913 32 L HN 0.246 nan 8.230 nan 0.000 0.440 33 A N -1.494 121.520 122.820 0.323 0.000 2.121 33 A HA -0.164 4.158 4.320 0.003 0.000 0.218 33 A C 2.060 179.669 177.584 0.040 0.000 1.154 33 A CA 1.123 53.263 52.037 0.172 0.000 0.679 33 A CB -0.429 18.684 19.000 0.188 0.000 0.795 33 A HN 0.647 nan 8.150 nan 0.000 0.458 34 Q N -0.203 119.637 119.800 0.068 0.000 2.432 34 Q HA -0.001 4.341 4.340 0.003 0.000 0.205 34 Q C 0.085 176.103 176.000 0.030 0.000 0.945 34 Q CA 0.211 56.036 55.803 0.037 0.000 0.924 34 Q CB 0.088 28.850 28.738 0.040 0.000 1.016 34 Q HN 0.737 nan 8.270 nan 0.000 0.503 35 Q N 1.080 120.904 119.800 0.040 0.000 2.288 35 Q HA 0.114 4.456 4.340 0.003 0.000 0.254 35 Q C -0.975 175.024 176.000 -0.001 0.000 0.932 35 Q CA -0.261 55.568 55.803 0.043 0.000 0.902 35 Q CB 0.826 29.617 28.738 0.088 0.000 1.203 35 Q HN -0.003 nan 8.270 nan 0.000 0.415 36 D N 1.255 121.668 120.400 0.020 0.000 2.304 36 D HA 0.274 4.916 4.640 0.003 0.000 0.250 36 D C -0.681 175.638 176.300 0.032 0.000 1.107 36 D CA -0.116 53.894 54.000 0.017 0.000 0.885 36 D CB 1.177 41.994 40.800 0.028 0.000 1.192 36 D HN 0.297 nan 8.370 nan 0.000 0.436 37 V N -0.775 119.166 119.914 0.045 0.000 3.046 37 V HA 0.918 5.039 4.120 0.003 0.000 0.316 37 V C -0.213 175.935 176.094 0.090 0.000 1.104 37 V CA -1.249 61.100 62.300 0.082 0.000 1.006 37 V CB 1.608 33.510 31.823 0.131 0.000 1.058 37 V HN 0.537 nan 8.190 nan 0.000 0.440 38 A N 1.719 124.563 122.820 0.041 0.000 2.316 38 A HA 0.865 5.187 4.320 0.003 0.000 0.284 38 A C 0.487 177.975 177.584 -0.161 0.000 1.115 38 A CA -0.101 51.921 52.037 -0.026 0.000 0.812 38 A CB 0.658 19.634 19.000 -0.039 0.000 1.064 38 A HN 2.201 nan 8.150 nan 0.000 0.489 39 A N 3.635 126.343 122.820 -0.187 0.000 2.354 39 A HA 0.608 4.930 4.320 0.003 0.000 0.281 39 A C -1.801 175.554 177.584 -0.382 0.000 1.174 39 A CA -1.163 50.625 52.037 -0.415 0.000 0.828 39 A CB -0.527 18.377 19.000 -0.160 0.000 1.099 39 A HN 0.714 nan 8.150 nan 0.000 0.516 40 P HA 0.399 nan 4.420 nan 0.000 0.276 40 P C 0.394 177.572 177.300 -0.204 0.000 1.261 40 P CA -0.121 62.786 63.100 -0.320 0.000 0.800 40 P CB 0.782 32.272 31.700 -0.351 0.000 1.066 41 G N -0.609 108.112 108.800 -0.131 0.000 2.537 41 G HA2 0.518 4.479 3.960 0.003 0.000 0.273 41 G HA3 0.518 4.479 3.960 0.003 0.000 0.273 41 G C -0.904 173.952 174.900 -0.075 0.000 1.189 41 G CA -0.441 44.608 45.100 -0.086 0.000 0.881 41 G HN 0.671 nan 8.290 nan 0.000 0.535 42 A N 1.823 124.612 122.820 -0.051 0.000 2.331 42 A HA 0.813 5.135 4.320 0.003 0.000 0.320 42 A C -1.760 175.807 177.584 -0.029 0.000 1.138 42 A CA -1.214 50.801 52.037 -0.037 0.000 0.790 42 A CB 1.212 20.198 19.000 -0.023 0.000 1.206 42 A HN 0.639 nan 8.150 nan 0.000 0.470 43 P HA 0.179 nan 4.420 nan 0.000 0.277 43 P C -0.316 176.973 177.300 -0.017 0.000 1.271 43 P CA -0.526 62.561 63.100 -0.022 0.000 0.795 43 P CB 0.513 32.201 31.700 -0.021 0.000 1.101 44 E N -0.060 120.131 120.200 -0.015 0.000 2.452 44 E HA 0.107 4.459 4.350 0.003 0.000 0.261 44 E C 0.993 177.586 176.600 -0.011 0.000 0.987 44 E CA 1.337 57.729 56.400 -0.014 0.000 0.926 44 E CB -0.197 29.496 29.700 -0.012 0.000 0.934 44 E HN 0.799 nan 8.360 nan 0.000 0.452 45 G N 2.552 111.345 108.800 -0.012 0.000 2.175 45 G HA2 -0.222 3.739 3.960 0.003 0.000 0.244 45 G HA3 -0.222 3.739 3.960 0.003 0.000 0.244 45 G C -0.157 174.739 174.900 -0.006 0.000 0.982 45 G CA 0.158 45.253 45.100 -0.009 0.000 0.641 45 G HN 0.520 nan 8.290 nan 0.000 0.527 46 V N 0.822 120.731 119.914 -0.008 0.000 2.789 46 V HA 0.712 4.834 4.120 0.003 0.000 0.311 46 V C 0.101 176.189 176.094 -0.011 0.000 1.073 46 V CA -0.350 61.949 62.300 -0.001 0.000 0.921 46 V CB 2.087 33.916 31.823 0.010 0.000 1.009 46 V HN 0.338 nan 8.190 nan 0.000 0.426 47 S N 2.817 118.510 115.700 -0.013 0.000 2.508 47 S HA 0.735 5.206 4.470 0.003 0.000 0.284 47 S C 0.245 174.851 174.600 0.010 0.000 1.192 47 S CA -0.311 57.880 58.200 -0.015 0.000 1.070 47 S CB 1.622 64.798 63.200 -0.040 0.000 1.004 47 S HN 1.069 nan 8.310 nan 0.000 0.493 48 A N 3.071 125.894 122.820 0.004 0.000 2.371 48 A HA 0.551 4.873 4.320 0.003 0.000 0.257 48 A C -0.203 177.407 177.584 0.044 0.000 1.089 48 A CA -0.418 51.626 52.037 0.011 0.000 0.794 48 A CB -0.012 18.980 19.000 -0.014 0.000 1.029 48 A HN 0.825 nan 8.150 nan 0.000 0.488 49 L N 2.082 123.356 121.223 0.086 0.000 2.325 49 L HA 0.342 4.684 4.340 0.003 0.000 0.279 49 L C 1.139 178.072 176.870 0.104 0.000 1.054 49 L CA -0.506 54.416 54.840 0.135 0.000 0.804 49 L CB 1.644 43.864 42.059 0.268 0.000 1.200 49 L HN 0.961 nan 8.230 nan 0.000 0.436 50 S N 0.012 115.764 115.700 0.088 0.000 2.587 50 S HA -0.051 4.421 4.470 0.003 0.000 0.260 50 S C 0.783 175.438 174.600 0.092 0.000 1.353 50 S CA -0.256 57.983 58.200 0.064 0.000 0.995 50 S CB 0.965 64.195 63.200 0.050 0.000 0.912 50 S HN 0.764 nan 8.310 nan 0.000 0.568 51 D N 1.430 121.868 120.400 0.062 0.000 2.103 51 D HA -0.186 4.456 4.640 0.003 0.000 0.190 51 D C 2.116 178.474 176.300 0.098 0.000 0.997 51 D CA 2.374 56.418 54.000 0.072 0.000 0.833 51 D CB -0.898 39.926 40.800 0.041 0.000 0.961 51 D HN 0.702 nan 8.370 nan 0.000 0.447 52 A N 0.044 122.904 122.820 0.067 0.000 1.883 52 A HA -0.236 4.086 4.320 0.003 0.000 0.217 52 A C 2.295 179.917 177.584 0.062 0.000 1.186 52 A CA 2.030 54.099 52.037 0.054 0.000 0.624 52 A CB -0.806 18.216 19.000 0.037 0.000 0.822 52 A HN 0.443 nan 8.150 nan 0.000 0.444 53 Q N -2.098 117.750 119.800 0.080 0.000 2.061 53 Q HA -0.228 4.114 4.340 0.003 0.000 0.204 53 Q C 2.067 178.133 176.000 0.110 0.000 0.984 53 Q CA 1.981 57.835 55.803 0.085 0.000 0.846 53 Q CB -0.363 28.436 28.738 0.101 0.000 0.902 53 Q HN 0.822 nan 8.270 nan 0.000 0.421 54 Y N 1.678 122.012 120.300 0.056 0.000 2.145 54 Y HA -0.207 4.345 4.550 0.003 0.000 0.286 54 Y C 1.960 177.894 175.900 0.058 0.000 1.145 54 Y CA 1.442 59.601 58.100 0.099 0.000 1.148 54 Y CB -0.094 38.416 38.460 0.083 0.000 0.981 54 Y HN 0.138 nan 8.280 nan 0.000 0.507 55 N N 0.273 119.038 118.700 0.109 0.000 2.120 55 N HA -0.224 4.518 4.740 0.003 0.000 0.188 55 N C 1.898 177.346 175.510 -0.103 0.000 1.024 55 N CA 1.576 54.621 53.050 -0.008 0.000 0.852 55 N CB -0.346 38.160 38.487 0.033 0.000 1.003 55 N HN 0.581 nan 8.380 nan 0.000 0.424 56 E N 1.009 121.168 120.200 -0.068 0.000 2.051 56 E HA -0.136 4.215 4.350 0.003 0.000 0.192 56 E C 1.865 178.371 176.600 -0.157 0.000 0.991 56 E CA 1.164 57.515 56.400 -0.082 0.000 0.799 56 E CB -0.000 29.678 29.700 -0.037 0.000 0.748 56 E HN 0.300 nan 8.360 nan 0.000 0.449 57 A N 0.832 123.516 122.820 -0.226 0.000 1.930 57 A HA -0.205 4.117 4.320 0.003 0.000 0.217 57 A C 1.954 179.118 177.584 -0.699 0.000 1.175 57 A CA 1.672 53.470 52.037 -0.399 0.000 0.627 57 A CB -0.784 17.987 19.000 -0.382 0.000 0.815 57 A HN 0.377 nan 8.150 nan 0.000 0.443 58 N N -0.628 117.653 118.700 -0.698 0.000 2.120 58 N HA -0.168 4.574 4.740 0.003 0.000 0.188 58 N C 1.581 176.833 175.510 -0.430 0.000 1.024 58 N CA 1.743 54.399 53.050 -0.657 0.000 0.852 58 N CB -0.149 38.047 38.487 -0.485 0.000 1.003 58 N HN 0.299 nan 8.380 nan 0.000 0.424 59 K N 0.391 120.612 120.400 -0.299 0.000 2.032 59 K HA -0.006 4.316 4.320 0.003 0.000 0.209 59 K C 1.835 178.395 176.600 -0.067 0.000 1.048 59 K CA 1.095 57.288 56.287 -0.156 0.000 0.927 59 K CB -0.321 32.118 32.500 -0.101 0.000 0.712 59 K HN 0.284 nan 8.250 nan 0.000 0.441 60 I N -0.715 119.792 120.570 -0.104 0.000 2.226 60 I HA -0.306 3.866 4.170 0.003 0.000 0.245 60 I C 2.052 178.156 176.117 -0.022 0.000 1.100 60 I CA 1.258 62.521 61.300 -0.061 0.000 1.374 60 I CB -0.301 37.650 38.000 -0.082 0.000 1.057 60 I HN 0.145 nan 8.210 nan 0.000 0.413 61 Y N 1.210 121.410 120.300 -0.168 0.000 2.128 61 Y HA -0.299 4.253 4.550 0.003 0.000 0.284 61 Y C 2.313 178.342 175.900 0.214 0.000 1.154 61 Y CA 1.760 59.841 58.100 -0.032 0.000 1.149 61 Y CB -0.321 38.034 38.460 -0.175 0.000 0.976 61 Y HN -0.033 nan 8.280 nan 0.000 0.505 62 F N 0.726 120.674 119.950 -0.004 0.000 2.186 62 F HA -0.130 4.399 4.527 0.003 0.000 0.299 62 F C 2.311 178.084 175.800 -0.044 0.000 1.090 62 F CA 1.504 59.497 58.000 -0.012 0.000 1.307 62 F CB -0.830 38.198 39.000 0.047 0.000 1.019 62 F HN 0.186 nan 8.300 nan 0.000 0.489 63 E N 0.018 120.309 120.200 0.151 0.000 2.028 63 E HA -0.153 4.199 4.350 0.003 0.000 0.190 63 E C 1.606 178.218 176.600 0.019 0.000 0.984 63 E CA 1.276 57.731 56.400 0.092 0.000 0.800 63 E CB -0.119 29.628 29.700 0.078 0.000 0.758 63 E HN 0.406 nan 8.360 nan 0.000 0.448 64 R N -1.110 119.368 120.500 -0.037 0.000 2.577 64 R HA 0.326 4.668 4.340 0.003 0.000 0.344 64 R C 0.810 177.034 176.300 -0.126 0.000 1.037 64 R CA -0.079 55.977 56.100 -0.073 0.000 1.102 64 R CB 0.062 30.327 30.300 -0.058 0.000 1.313 64 R HN 0.050 nan 8.270 nan 0.000 0.561 65 C N -1.526 117.634 119.300 -0.235 0.000 3.296 65 C HA 0.409 4.871 4.460 0.003 0.000 0.561 65 C C 2.459 177.187 174.990 -0.436 0.000 1.292 65 C CA 0.387 59.202 59.018 -0.338 0.000 2.601 65 C CB 0.533 27.896 27.740 -0.628 0.000 3.617 65 C HN 0.586 nan 8.230 nan 0.000 0.502 66 A N 1.511 123.969 122.820 -0.603 0.000 2.024 66 A HA 0.102 4.424 4.320 0.003 0.000 0.220 66 A C 2.202 179.691 177.584 -0.158 0.000 1.164 66 A CA 2.242 54.051 52.037 -0.380 0.000 0.643 66 A CB -1.157 17.623 19.000 -0.368 0.000 0.806 66 A HN 0.622 nan 8.150 nan 0.000 0.451 67 G N -0.908 107.813 108.800 -0.131 0.000 2.476 67 G HA2 -0.306 3.655 3.960 0.003 0.000 0.218 67 G HA3 -0.306 3.655 3.960 0.003 0.000 0.218 67 G C 1.521 176.362 174.900 -0.099 0.000 1.164 67 G CA 1.492 46.540 45.100 -0.086 0.000 0.768 67 G HN 0.546 nan 8.290 nan 0.000 0.560 68 C N -1.119 118.100 119.300 -0.136 0.000 2.527 68 C HA 0.276 4.738 4.460 0.003 0.000 0.280 68 C C 2.223 177.056 174.990 -0.262 0.000 1.353 68 C CA 0.225 59.108 59.018 -0.226 0.000 1.749 68 C CB -0.628 26.914 27.740 -0.331 0.000 2.088 68 C HN 0.503 nan 8.230 nan 0.000 0.508 69 H N 0.092 119.179 119.070 0.029 0.000 2.654 69 H HA 0.300 4.858 4.556 0.003 0.000 0.264 69 H C 1.292 176.713 175.328 0.154 0.000 0.954 69 H CA 1.253 57.372 56.048 0.118 0.000 1.199 69 H CB 0.363 30.244 29.762 0.198 0.000 1.446 69 H HN 0.516 nan 8.280 nan 0.000 0.516 70 G N 0.673 109.589 108.800 0.194 0.000 2.712 70 G HA2 -0.232 3.730 3.960 0.003 0.000 0.686 70 G HA3 -0.232 3.730 3.960 0.003 0.000 0.686 70 G C 0.948 175.960 174.900 0.187 0.000 1.181 70 G CA -0.045 45.150 45.100 0.158 0.000 0.762 70 G HN 0.280 nan 8.290 nan 0.000 0.641 71 V N -0.296 119.604 119.914 -0.024 0.000 2.626 71 V HA 0.065 4.186 4.120 0.003 0.000 0.252 71 V C 2.427 178.523 176.094 0.003 0.000 1.067 71 V CA 2.317 64.501 62.300 -0.194 0.000 1.081 71 V CB -0.583 30.768 31.823 -0.787 0.000 0.686 71 V HN 0.742 nan 8.190 nan 0.000 0.468 72 L N -0.580 120.659 121.223 0.027 0.000 2.558 72 L HA 0.343 4.684 4.340 0.003 0.000 0.225 72 L C 1.436 178.349 176.870 0.071 0.000 1.128 72 L CA 0.169 55.042 54.840 0.055 0.000 0.868 72 L CB -0.289 41.827 42.059 0.095 0.000 1.006 72 L HN 0.321 nan 8.230 nan 0.000 0.454 73 R N -0.468 120.117 120.500 0.142 0.000 3.776 73 R HA -0.147 4.195 4.340 0.003 0.000 0.312 73 R C 0.440 176.805 176.300 0.108 0.000 1.181 73 R CA 0.320 56.517 56.100 0.162 0.000 0.836 73 R CB -1.550 28.780 30.300 0.051 0.000 1.324 73 R HN 0.275 nan 8.270 nan 0.000 0.501 74 K N 0.836 121.280 120.400 0.073 0.000 2.404 74 K HA 0.125 4.446 4.320 0.003 0.000 0.194 74 K C 0.973 177.584 176.600 0.019 0.000 1.023 74 K CA 0.989 57.266 56.287 -0.017 0.000 1.094 74 K CB 0.781 33.180 32.500 -0.168 0.000 0.841 74 K HN 0.543 nan 8.250 nan 0.000 0.523 75 G N 0.553 109.440 108.800 0.145 0.000 2.777 75 G HA2 -0.018 3.944 3.960 0.003 0.000 0.686 75 G HA3 -0.018 3.944 3.960 0.003 0.000 0.686 75 G C -0.084 174.972 174.900 0.260 0.000 1.177 75 G CA -0.301 44.916 45.100 0.195 0.000 0.775 75 G HN 0.340 nan 8.290 nan 0.000 0.613 76 A N 0.926 123.867 122.820 0.201 0.000 2.218 76 A HA 0.856 5.178 4.320 0.003 0.000 0.198 76 A C 2.309 180.022 177.584 0.216 0.000 1.857 76 A CA 1.283 53.484 52.037 0.274 0.000 1.620 76 A CB -0.606 18.490 19.000 0.159 0.000 1.424 76 A HN 2.292 nan 8.150 nan 0.000 0.562 77 T N -1.544 112.965 114.554 -0.076 0.000 2.942 77 T HA 0.322 4.674 4.350 0.003 0.000 0.265 77 T C 1.037 175.604 174.700 -0.222 0.000 1.062 77 T CA 1.072 62.953 62.100 -0.366 0.000 1.139 77 T CB -0.606 68.020 68.868 -0.402 0.000 0.883 77 T HN 0.945 nan 8.240 nan 0.000 0.468 78 G N 1.578 110.233 108.800 -0.243 0.000 2.437 78 G HA2 0.542 4.503 3.960 0.003 0.000 0.319 78 G HA3 0.542 4.503 3.960 0.003 0.000 0.319 78 G C -0.436 174.450 174.900 -0.024 0.000 1.158 78 G CA -1.165 43.771 45.100 -0.273 0.000 0.899 78 G HN 0.690 nan 8.290 nan 0.000 0.502 79 K N -0.106 120.377 120.400 0.138 0.000 2.187 79 K HA 0.572 4.894 4.320 0.003 0.000 0.247 79 K C 0.414 177.169 176.600 0.258 0.000 1.019 79 K CA -0.178 56.212 56.287 0.172 0.000 0.893 79 K CB 0.615 33.185 32.500 0.117 0.000 1.025 79 K HN 0.473 nan 8.250 nan 0.000 0.500 80 A N 1.587 124.497 122.820 0.151 0.000 2.483 80 A HA 0.195 4.517 4.320 0.003 0.000 0.238 80 A C 0.282 177.917 177.584 0.084 0.000 1.070 80 A CA -0.290 51.820 52.037 0.122 0.000 0.770 80 A CB -0.266 18.767 19.000 0.054 0.000 1.008 80 A HN 0.724 nan 8.150 nan 0.000 0.497 81 L N 2.212 123.472 121.223 0.062 0.000 3.291 81 L HA 0.147 4.489 4.340 0.003 0.000 0.307 81 L C 0.563 177.417 176.870 -0.027 0.000 1.303 81 L CA -0.265 54.566 54.840 -0.014 0.000 0.949 81 L CB -0.001 42.020 42.059 -0.065 0.000 1.375 81 L HN 0.893 nan 8.230 nan 0.000 0.596 82 T N -3.503 111.041 114.554 -0.015 0.000 2.900 82 T HA 0.148 4.500 4.350 0.003 0.000 0.307 82 T C -1.659 173.017 174.700 -0.041 0.000 1.065 82 T CA -1.282 60.800 62.100 -0.029 0.000 1.105 82 T CB 0.866 69.725 68.868 -0.014 0.000 0.979 82 T HN -0.103 nan 8.240 nan 0.000 0.544 83 P HA -0.201 nan 4.420 nan 0.000 0.216 83 P C 1.516 178.796 177.300 -0.034 0.000 1.154 83 P CA 1.489 64.562 63.100 -0.045 0.000 0.865 83 P CB -0.049 31.622 31.700 -0.048 0.000 0.789 84 D N -0.104 120.279 120.400 -0.029 0.000 2.123 84 D HA -0.177 4.465 4.640 0.003 0.000 0.196 84 D C 1.932 178.212 176.300 -0.034 0.000 0.992 84 D CA 1.352 55.336 54.000 -0.027 0.000 0.833 84 D CB -1.157 39.630 40.800 -0.021 0.000 0.954 84 D HN 0.218 nan 8.370 nan 0.000 0.455 85 L N 0.693 121.894 121.223 -0.038 0.000 2.072 85 L HA -0.082 4.260 4.340 0.003 0.000 0.205 85 L C 2.982 179.812 176.870 -0.066 0.000 1.079 85 L CA 1.678 56.487 54.840 -0.051 0.000 0.752 85 L CB -0.930 41.103 42.059 -0.045 0.000 0.906 85 L HN 0.222 nan 8.230 nan 0.000 0.436 86 T N -2.500 112.022 114.554 -0.054 0.000 2.857 86 T HA -0.145 4.206 4.350 0.003 0.000 0.266 86 T C 2.015 176.698 174.700 -0.028 0.000 1.048 86 T CA 0.688 62.759 62.100 -0.048 0.000 1.139 86 T CB -0.247 68.600 68.868 -0.035 0.000 0.874 86 T HN 0.212 nan 8.240 nan 0.000 0.455 87 R N 1.053 121.541 120.500 -0.020 0.000 2.096 87 R HA -0.027 4.315 4.340 0.003 0.000 0.235 87 R C 2.359 178.649 176.300 -0.016 0.000 1.127 87 R CA 1.507 57.605 56.100 -0.004 0.000 0.968 87 R CB -0.420 29.876 30.300 -0.006 0.000 0.861 87 R HN 0.414 nan 8.270 nan 0.000 0.440 88 D N 0.511 120.887 120.400 -0.041 0.000 2.178 88 D HA -0.079 4.563 4.640 0.003 0.000 0.202 88 D C 1.720 177.963 176.300 -0.094 0.000 0.974 88 D CA 0.901 54.867 54.000 -0.057 0.000 0.841 88 D CB 0.151 40.913 40.800 -0.064 0.000 0.953 88 D HN 0.127 nan 8.370 nan 0.000 0.478 89 L N -0.538 120.608 121.223 -0.128 0.000 2.072 89 L HA 0.192 4.534 4.340 0.003 0.000 0.205 89 L C 1.379 178.197 176.870 -0.086 0.000 1.079 89 L CA 0.605 55.305 54.840 -0.232 0.000 0.752 89 L CB -0.750 41.130 42.059 -0.298 0.000 0.906 89 L HN 0.230 nan 8.230 nan 0.000 0.436 90 G N -1.507 107.300 108.800 0.013 0.000 2.690 90 G HA2 -0.286 3.676 3.960 0.003 0.000 0.686 90 G HA3 -0.286 3.676 3.960 0.003 0.000 0.686 90 G C -0.149 174.858 174.900 0.178 0.000 1.277 90 G CA -0.117 45.046 45.100 0.105 0.000 0.799 90 G HN 0.061 nan 8.290 nan 0.000 0.613 91 F N 1.005 120.995 119.950 0.067 0.000 2.046 91 F HA -0.070 4.459 4.527 0.003 0.000 0.297 91 F C 2.422 178.279 175.800 0.094 0.000 1.123 91 F CA 2.780 60.824 58.000 0.073 0.000 1.199 91 F CB -0.122 38.909 39.000 0.051 0.000 0.972 91 F HN 0.535 nan 8.300 nan 0.000 0.474 92 D N -0.568 120.026 120.400 0.323 0.000 2.126 92 D HA -0.295 4.347 4.640 0.003 0.000 0.190 92 D C 2.012 178.362 176.300 0.085 0.000 1.001 92 D CA 2.037 56.152 54.000 0.191 0.000 0.841 92 D CB -1.092 39.833 40.800 0.207 0.000 0.949 92 D HN 0.464 nan 8.370 nan 0.000 0.446 93 Y N 1.090 121.404 120.300 0.023 0.000 2.097 93 Y HA -0.204 4.348 4.550 0.003 0.000 0.282 93 Y C 2.292 178.193 175.900 0.002 0.000 1.152 93 Y CA 1.493 59.608 58.100 0.024 0.000 1.136 93 Y CB -0.348 38.124 38.460 0.019 0.000 0.975 93 Y HN -0.057 nan 8.280 nan 0.000 0.498 94 L N -0.130 121.173 121.223 0.133 0.000 2.046 94 L HA -0.262 4.080 4.340 0.003 0.000 0.208 94 L C 2.648 179.448 176.870 -0.116 0.000 1.077 94 L CA 1.796 56.640 54.840 0.007 0.000 0.747 94 L CB -0.763 41.266 42.059 -0.050 0.000 0.896 94 L HN 0.320 nan 8.230 nan 0.000 0.432 95 Q N -0.024 119.592 119.800 -0.307 0.000 2.061 95 Q HA -0.209 4.133 4.340 0.003 0.000 0.204 95 Q C 2.279 178.178 176.000 -0.169 0.000 0.984 95 Q CA 2.186 57.780 55.803 -0.348 0.000 0.846 95 Q CB 0.072 28.508 28.738 -0.504 0.000 0.902 95 Q HN 0.446 nan 8.270 nan 0.000 0.421 96 S N -0.092 115.529 115.700 -0.130 0.000 2.406 96 S HA -0.085 4.387 4.470 0.003 0.000 0.228 96 S C 1.360 175.920 174.600 -0.067 0.000 1.020 96 S CA 0.749 58.869 58.200 -0.132 0.000 0.965 96 S CB -0.293 62.841 63.200 -0.110 0.000 0.798 96 S HN 0.414 nan 8.310 nan 0.000 0.488 97 F N 2.028 121.880 119.950 -0.162 0.000 2.163 97 F HA 0.109 4.638 4.527 0.003 0.000 0.297 97 F C 1.763 177.548 175.800 -0.025 0.000 1.094 97 F CA 1.024 58.968 58.000 -0.093 0.000 1.290 97 F CB -0.166 38.705 39.000 -0.215 0.000 1.017 97 F HN 0.094 nan 8.300 nan 0.000 0.483 98 I N -1.096 119.585 120.570 0.185 0.000 2.761 98 I HA -0.213 3.959 4.170 0.003 0.000 0.261 98 I C 2.314 178.473 176.117 0.070 0.000 1.198 98 I CA 1.260 62.660 61.300 0.167 0.000 1.482 98 I CB -0.656 37.410 38.000 0.110 0.000 1.100 98 I HN 0.115 nan 8.210 nan 0.000 0.445 99 T N -0.105 114.410 114.554 -0.065 0.000 2.977 99 T HA -0.175 4.176 4.350 0.003 0.000 0.271 99 T C 1.566 176.149 174.700 -0.194 0.000 1.105 99 T CA 1.392 63.395 62.100 -0.162 0.000 1.116 99 T CB -0.236 68.471 68.868 -0.268 0.000 0.878 99 T HN 0.305 nan 8.240 nan 0.000 0.509 100 Y N 1.172 121.434 120.300 -0.063 0.000 2.516 100 Y HA 0.328 4.880 4.550 0.003 0.000 0.291 100 Y C 1.743 177.632 175.900 -0.018 0.000 1.131 100 Y CA 0.354 58.411 58.100 -0.071 0.000 1.281 100 Y CB -0.339 38.028 38.460 -0.155 0.000 1.013 100 Y HN 0.435 nan 8.280 nan 0.000 0.554 101 G N -0.138 108.756 108.800 0.158 0.000 2.661 101 G HA2 0.004 3.966 3.960 0.003 0.000 0.685 101 G HA3 0.004 3.966 3.960 0.003 0.000 0.685 101 G C -0.586 174.377 174.900 0.105 0.000 1.298 101 G CA -0.560 44.600 45.100 0.100 0.000 0.855 101 G HN 0.523 nan 8.290 nan 0.000 0.560 102 S N -0.293 115.382 115.700 -0.042 0.000 2.600 102 S HA 0.873 5.344 4.470 0.003 0.000 0.300 102 S C -2.990 171.500 174.600 -0.184 0.000 1.087 102 S CA -1.465 56.583 58.200 -0.253 0.000 0.965 102 S CB 2.589 65.636 63.200 -0.255 0.000 1.089 102 S HN 0.634 nan 8.310 nan 0.000 0.496 103 P HA 0.243 nan 4.420 nan 0.000 0.263 103 P C -0.242 176.981 177.300 -0.128 0.000 1.195 103 P CA 0.163 63.177 63.100 -0.142 0.000 0.762 103 P CB -0.022 31.596 31.700 -0.136 0.000 0.799 104 A N 3.988 126.742 122.820 -0.110 0.000 2.507 104 A HA 0.447 4.769 4.320 0.003 0.000 0.235 104 A C 1.236 178.733 177.584 -0.144 0.000 1.070 104 A CA 0.615 52.579 52.037 -0.121 0.000 0.768 104 A CB -0.368 18.565 19.000 -0.112 0.000 1.011 104 A HN 0.591 nan 8.150 nan 0.000 0.502 105 G N 0.497 109.183 108.800 -0.191 0.000 2.666 105 G HA2 0.479 4.441 3.960 0.003 0.000 0.207 105 G HA3 0.479 4.441 3.960 0.003 0.000 0.207 105 G C 0.239 174.957 174.900 -0.303 0.000 1.481 105 G CA -0.790 44.157 45.100 -0.256 0.000 1.071 105 G HN 0.595 nan 8.290 nan 0.000 0.572 106 M N 1.364 120.667 119.600 -0.496 0.000 2.211 106 M HA 0.268 4.750 4.480 0.003 0.000 0.356 106 M C -2.157 173.818 176.300 -0.542 0.000 1.216 106 M CA -2.022 53.011 55.300 -0.444 0.000 1.134 106 M CB 0.739 33.069 32.600 -0.450 0.000 1.564 106 M HN 0.090 nan 8.290 nan 0.000 0.463 107 P HA 0.048 nan 4.420 nan 0.000 0.270 107 P C 0.191 177.237 177.300 -0.423 0.000 1.227 107 P CA 0.306 63.195 63.100 -0.353 0.000 0.788 107 P CB 0.360 31.869 31.700 -0.318 0.000 0.926 108 N N -0.910 117.599 118.700 -0.319 0.000 2.857 108 N HA -0.210 4.532 4.740 0.003 0.000 0.242 108 N C 0.479 176.090 175.510 0.168 0.000 0.983 108 N CA 2.072 55.017 53.050 -0.176 0.000 0.934 108 N CB -1.205 37.026 38.487 -0.427 0.000 1.115 108 N HN 0.816 nan 8.380 nan 0.000 0.593 109 W N -1.447 119.859 121.300 0.010 0.000 1.141 109 W HA 0.333 4.995 4.660 0.003 0.000 0.154 109 W C 0.230 176.807 176.519 0.097 0.000 0.692 109 W CA 0.294 57.706 57.345 0.112 0.000 0.637 109 W CB -0.370 29.231 29.460 0.236 0.000 0.726 109 W HN 0.002 nan 8.180 nan 0.000 0.471 110 G N 2.256 110.648 108.800 -0.681 0.000 2.543 110 G HA2 0.387 4.349 3.960 0.003 0.000 0.290 110 G HA3 0.387 4.349 3.960 0.003 0.000 0.290 110 G C -0.364 174.380 174.900 -0.260 0.000 1.310 110 G CA 0.172 44.865 45.100 -0.678 0.000 1.025 110 G HN -0.015 nan 8.290 nan 0.000 0.502 111 T N -2.290 112.141 114.554 -0.206 0.000 2.847 111 T HA 0.356 4.707 4.350 0.003 0.000 0.279 111 T C 1.658 176.284 174.700 -0.124 0.000 0.984 111 T CA 0.387 62.419 62.100 -0.114 0.000 0.988 111 T CB 1.025 69.845 68.868 -0.079 0.000 1.040 111 T HN 0.757 nan 8.240 nan 0.000 0.528 112 S N 0.683 116.331 115.700 -0.087 0.000 2.517 112 S HA 0.323 4.795 4.470 0.003 0.000 0.214 112 S C 1.559 176.116 174.600 -0.072 0.000 0.991 112 S CA 0.510 58.661 58.200 -0.081 0.000 0.906 112 S CB -0.174 62.990 63.200 -0.060 0.000 0.789 112 S HN 1.762 nan 8.310 nan 0.000 0.513 113 G N 1.213 109.972 108.800 -0.069 0.000 2.198 113 G HA2 -0.222 3.740 3.960 0.003 0.000 0.257 113 G HA3 -0.222 3.740 3.960 0.003 0.000 0.257 113 G C -0.453 174.425 174.900 -0.036 0.000 1.042 113 G CA 0.061 45.123 45.100 -0.063 0.000 0.791 113 G HN 0.624 nan 8.290 nan 0.000 0.502 114 E N -0.226 119.957 120.200 -0.029 0.000 2.081 114 E HA 0.582 4.934 4.350 0.003 0.000 0.276 114 E C 0.346 176.939 176.600 -0.012 0.000 0.950 114 E CA -0.478 55.912 56.400 -0.017 0.000 0.776 114 E CB 1.264 30.952 29.700 -0.020 0.000 1.094 114 E HN 0.356 nan 8.360 nan 0.000 0.402 115 L N 2.089 123.309 121.223 -0.005 0.000 2.334 115 L HA 0.411 4.753 4.340 0.003 0.000 0.273 115 L C 0.583 177.447 176.870 -0.009 0.000 1.013 115 L CA -0.743 54.094 54.840 -0.004 0.000 0.816 115 L CB 1.798 43.861 42.059 0.006 0.000 1.278 115 L HN 0.533 nan 8.230 nan 0.000 0.431 116 S N 1.000 116.695 115.700 -0.008 0.000 2.671 116 S HA 0.459 4.931 4.470 0.003 0.000 0.272 116 S C 1.069 175.664 174.600 -0.009 0.000 1.174 116 S CA -0.032 58.162 58.200 -0.010 0.000 1.004 116 S CB 1.325 64.522 63.200 -0.005 0.000 1.077 116 S HN 0.679 nan 8.310 nan 0.000 0.553 117 A N 0.120 122.935 122.820 -0.007 0.000 1.902 117 A HA -0.069 4.252 4.320 0.003 0.000 0.217 117 A C 2.172 179.767 177.584 0.018 0.000 1.181 117 A CA 1.434 53.470 52.037 -0.000 0.000 0.623 117 A CB -1.087 17.913 19.000 0.001 0.000 0.818 117 A HN 0.877 nan 8.150 nan 0.000 0.443 118 E N 0.045 120.256 120.200 0.018 0.000 2.051 118 E HA -0.222 4.129 4.350 0.003 0.000 0.192 118 E C 2.186 178.804 176.600 0.029 0.000 0.991 118 E CA 1.627 58.044 56.400 0.028 0.000 0.799 118 E CB -0.222 29.490 29.700 0.019 0.000 0.748 118 E HN 0.788 nan 8.360 nan 0.000 0.449 119 Q N -0.199 119.610 119.800 0.015 0.000 2.123 119 Q HA -0.083 4.259 4.340 0.003 0.000 0.199 119 Q C 2.385 178.393 176.000 0.013 0.000 0.966 119 Q CA 1.142 56.950 55.803 0.008 0.000 0.845 119 Q CB 0.071 28.808 28.738 -0.002 0.000 0.907 119 Q HN 0.127 nan 8.270 nan 0.000 0.439 120 V N 1.621 121.540 119.914 0.009 0.000 2.295 120 V HA -0.272 3.850 4.120 0.003 0.000 0.246 120 V C 1.454 177.546 176.094 -0.004 0.000 1.049 120 V CA 2.139 64.437 62.300 -0.003 0.000 1.024 120 V CB -0.490 31.317 31.823 -0.027 0.000 0.648 120 V HN 0.313 nan 8.190 nan 0.000 0.447 121 D N -0.022 120.404 120.400 0.043 0.000 2.117 121 D HA -0.128 4.514 4.640 0.003 0.000 0.197 121 D C 2.133 178.536 176.300 0.172 0.000 0.987 121 D CA 1.148 55.232 54.000 0.139 0.000 0.829 121 D CB -0.328 40.616 40.800 0.239 0.000 0.961 121 D HN 0.323 nan 8.370 nan 0.000 0.460 122 L N -0.066 121.227 121.223 0.116 0.000 2.012 122 L HA -0.191 4.151 4.340 0.003 0.000 0.210 122 L C 2.371 179.308 176.870 0.112 0.000 1.073 122 L CA 0.802 55.709 54.840 0.110 0.000 0.748 122 L CB -0.394 41.694 42.059 0.048 0.000 0.891 122 L HN 0.099 nan 8.230 nan 0.000 0.431 123 M N -0.494 119.144 119.600 0.062 0.000 2.117 123 M HA -0.140 4.342 4.480 0.003 0.000 0.262 123 M C 2.582 178.954 176.300 0.120 0.000 1.065 123 M CA 1.923 57.269 55.300 0.077 0.000 1.114 123 M CB -1.482 31.154 32.600 0.059 0.000 1.361 123 M HN 0.290 nan 8.290 nan 0.000 0.408 124 A N 0.900 123.740 122.820 0.033 0.000 1.902 124 A HA -0.171 4.151 4.320 0.003 0.000 0.217 124 A C 2.100 179.764 177.584 0.135 0.000 1.181 124 A CA 1.736 53.743 52.037 -0.051 0.000 0.623 124 A CB -0.716 17.990 19.000 -0.490 0.000 0.818 124 A HN 0.486 nan 8.150 nan 0.000 0.443 125 N N -1.394 117.471 118.700 0.274 0.000 2.142 125 N HA -0.169 4.573 4.740 0.003 0.000 0.186 125 N C 1.639 177.287 175.510 0.230 0.000 1.023 125 N CA 1.701 54.937 53.050 0.310 0.000 0.852 125 N CB -0.639 38.030 38.487 0.302 0.000 0.998 125 N HN 0.672 nan 8.380 nan 0.000 0.424 126 Y N 1.928 122.275 120.300 0.079 0.000 2.165 126 Y HA -0.113 4.439 4.550 0.003 0.000 0.286 126 Y C 2.172 178.072 175.900 0.001 0.000 1.155 126 Y CA 1.394 59.505 58.100 0.018 0.000 1.164 126 Y CB -0.389 37.999 38.460 -0.119 0.000 0.978 126 Y HN -0.013 nan 8.280 nan 0.000 0.513 127 L N -0.236 121.044 121.223 0.096 0.000 2.275 127 L HA -0.198 4.144 4.340 0.003 0.000 0.215 127 L C 1.967 178.807 176.870 -0.051 0.000 1.119 127 L CA 0.847 55.673 54.840 -0.024 0.000 0.790 127 L CB -0.398 41.683 42.059 0.037 0.000 0.919 127 L HN 0.338 nan 8.230 nan 0.000 0.443 128 L N -0.768 120.460 121.223 0.010 0.000 2.509 128 L HA 0.065 4.407 4.340 0.003 0.000 0.222 128 L C 0.775 177.635 176.870 -0.016 0.000 1.123 128 L CA 0.022 54.872 54.840 0.018 0.000 0.856 128 L CB -0.006 42.103 42.059 0.085 0.000 0.985 128 L HN 0.156 nan 8.230 nan 0.000 0.456 129 L N -0.727 120.468 121.223 -0.047 0.000 2.416 129 L HA 0.242 4.583 4.340 0.003 0.000 0.262 129 L C -0.117 176.685 176.870 -0.113 0.000 1.093 129 L CA -0.705 54.099 54.840 -0.060 0.000 0.801 129 L CB 0.742 42.800 42.059 -0.002 0.000 1.191 129 L HN -0.047 nan 8.230 nan 0.000 0.459 130 D N 2.620 122.960 120.400 -0.100 0.000 2.325 130 D HA 0.190 4.832 4.640 0.003 0.000 0.251 130 D C -2.141 174.101 176.300 -0.097 0.000 1.196 130 D CA -0.858 53.086 54.000 -0.092 0.000 0.866 130 D CB 0.927 41.686 40.800 -0.069 0.000 1.101 130 D HN 0.234 nan 8.370 nan 0.000 0.476 131 P HA 0.188 nan 4.420 nan 0.000 0.275 131 P C -0.806 176.498 177.300 0.007 0.000 1.227 131 P CA -0.477 62.591 63.100 -0.054 0.000 0.781 131 P CB 1.006 32.651 31.700 -0.092 0.000 0.906 132 A N 2.773 125.625 122.820 0.054 0.000 2.293 132 A HA 0.617 4.938 4.320 0.003 0.000 0.302 132 A C 0.218 177.856 177.584 0.090 0.000 1.119 132 A CA -0.576 51.497 52.037 0.059 0.000 0.823 132 A CB 0.338 19.371 19.000 0.055 0.000 1.097 132 A HN 0.607 nan 8.150 nan 0.000 0.491 133 A N 3.037 125.918 122.820 0.103 0.000 2.362 133 A HA 0.607 4.929 4.320 0.003 0.000 0.276 133 A C -2.148 175.526 177.584 0.149 0.000 1.153 133 A CA -1.276 50.840 52.037 0.132 0.000 0.813 133 A CB -0.712 18.418 19.000 0.216 0.000 1.081 133 A HN 0.656 nan 8.150 nan 0.000 0.507 134 P HA 0.205 nan 4.420 nan 0.000 0.269 134 P C -2.480 175.039 177.300 0.364 0.000 1.211 134 P CA -0.626 62.523 63.100 0.082 0.000 0.781 134 P CB -0.421 31.057 31.700 -0.370 0.000 0.877 135 P HA 0.056 nan 4.420 nan 0.000 0.267 135 P C 0.006 177.615 177.300 0.514 0.000 1.200 135 P CA 0.313 63.636 63.100 0.371 0.000 0.772 135 P CB 0.398 32.275 31.700 0.295 0.000 0.855 136 E N 0.962 121.360 120.200 0.330 0.000 2.351 136 E HA 0.344 4.696 4.350 0.003 0.000 0.255 136 E C -0.830 175.925 176.600 0.258 0.000 1.188 136 E CA -0.114 56.424 56.400 0.231 0.000 0.940 136 E CB 0.470 30.237 29.700 0.112 0.000 1.094 136 E HN 0.342 nan 8.360 nan 0.000 0.474 137 F N 0.185 120.142 119.950 0.012 0.000 3.094 137 F HA 0.369 4.898 4.527 0.003 0.000 0.385 137 F C 0.134 175.918 175.800 -0.026 0.000 1.231 137 F CA -0.322 57.688 58.000 0.016 0.000 1.207 137 F CB 0.720 39.738 39.000 0.030 0.000 1.703 137 F HN 0.422 nan 8.300 nan 0.000 0.610 138 G N 2.325 111.059 108.800 -0.111 0.000 2.606 138 G HA2 0.281 4.242 3.960 0.003 0.000 0.262 138 G HA3 0.281 4.242 3.960 0.003 0.000 0.262 138 G C 0.744 175.576 174.900 -0.113 0.000 1.394 138 G CA -0.525 44.528 45.100 -0.078 0.000 1.044 138 G HN 0.538 nan 8.290 nan 0.000 0.553 139 M N -0.458 119.092 119.600 -0.084 0.000 2.108 139 M HA -0.049 4.433 4.480 0.003 0.000 0.261 139 M C 2.334 178.585 176.300 -0.082 0.000 1.066 139 M CA 1.977 57.231 55.300 -0.076 0.000 1.107 139 M CB -0.486 32.075 32.600 -0.065 0.000 1.356 139 M HN 0.557 nan 8.290 nan 0.000 0.406 140 K N -0.011 120.332 120.400 -0.095 0.000 2.020 140 K HA -0.205 4.117 4.320 0.003 0.000 0.212 140 K C 1.653 178.174 176.600 -0.133 0.000 1.050 140 K CA 2.248 58.483 56.287 -0.086 0.000 0.929 140 K CB -0.300 32.148 32.500 -0.087 0.000 0.714 140 K HN 0.406 nan 8.250 nan 0.000 0.443 141 E N -0.056 119.973 120.200 -0.284 0.000 2.072 141 E HA -0.112 4.240 4.350 0.003 0.000 0.191 141 E C 2.024 178.434 176.600 -0.317 0.000 0.985 141 E CA 1.724 57.824 56.400 -0.501 0.000 0.801 141 E CB -0.151 28.825 29.700 -1.206 0.000 0.750 141 E HN 0.362 nan 8.360 nan 0.000 0.452 142 M N -0.067 119.435 119.600 -0.163 0.000 2.117 142 M HA -0.112 4.370 4.480 0.003 0.000 0.262 142 M C 2.125 178.504 176.300 0.132 0.000 1.065 142 M CA 1.441 56.815 55.300 0.122 0.000 1.114 142 M CB -0.239 32.421 32.600 0.100 0.000 1.361 142 M HN -0.006 nan 8.290 nan 0.000 0.408 143 R N 0.197 120.748 120.500 0.085 0.000 2.148 143 R HA -0.104 4.237 4.340 0.003 0.000 0.227 143 R C 1.823 178.256 176.300 0.221 0.000 1.103 143 R CA 1.026 57.249 56.100 0.205 0.000 0.983 143 R CB -0.233 30.156 30.300 0.148 0.000 0.874 143 R HN 0.530 nan 8.270 nan 0.000 0.451 144 E N 0.149 120.417 120.200 0.114 0.000 2.216 144 E HA -0.098 4.254 4.350 0.003 0.000 0.192 144 E C 1.838 178.511 176.600 0.122 0.000 0.988 144 E CA 1.346 57.799 56.400 0.089 0.000 0.834 144 E CB 0.163 29.883 29.700 0.034 0.000 0.772 144 E HN 0.282 nan 8.360 nan 0.000 0.479 145 S N -0.085 115.718 115.700 0.172 0.000 2.528 145 S HA -0.075 4.397 4.470 0.003 0.000 0.219 145 S C 0.359 175.097 174.600 0.230 0.000 0.985 145 S CA -0.507 57.813 58.200 0.200 0.000 0.914 145 S CB -0.206 63.153 63.200 0.265 0.000 0.776 145 S HN 0.308 nan 8.310 nan 0.000 0.526 146 W N 3.830 125.148 121.300 0.030 0.000 2.419 146 W HA 0.477 5.138 4.660 0.002 0.000 0.312 146 W C -0.667 175.826 176.519 -0.042 0.000 1.323 146 W CA -1.202 56.141 57.345 -0.004 0.000 1.293 146 W CB 0.039 29.497 29.460 -0.002 0.000 1.324 146 W HN 0.015 nan 8.180 nan 0.000 0.512 147 K N 5.384 125.627 120.400 -0.261 0.000 2.426 147 K HA 0.442 4.764 4.320 0.003 0.000 0.254 147 K C -1.387 174.805 176.600 -0.681 0.000 0.936 147 K CA -1.059 54.934 56.287 -0.490 0.000 0.801 147 K CB 2.310 34.620 32.500 -0.317 0.000 1.139 147 K HN 0.077 nan 8.250 nan 0.000 0.424 148 V N 4.920 124.426 119.914 -0.680 0.000 2.304 148 V HA 0.086 4.208 4.120 0.003 0.000 0.269 148 V C 0.799 176.696 176.094 -0.327 0.000 1.036 148 V CA -0.550 61.468 62.300 -0.470 0.000 0.840 148 V CB 0.459 32.057 31.823 -0.374 0.000 1.036 148 V HN 0.805 nan 8.190 nan 0.000 0.466 149 H N 3.183 122.200 119.070 -0.088 0.000 2.363 149 H HA 0.109 4.667 4.556 0.003 0.000 0.301 149 H C 0.464 175.764 175.328 -0.047 0.000 1.074 149 H CA 1.074 57.087 56.048 -0.060 0.000 1.354 149 H CB 0.505 30.246 29.762 -0.034 0.000 1.397 149 H HN 0.400 nan 8.280 nan 0.000 0.516 150 V N 1.568 121.523 119.914 0.067 0.000 2.357 150 V HA 0.472 4.594 4.120 0.003 0.000 0.281 150 V C 0.252 176.348 176.094 0.004 0.000 1.015 150 V CA -1.000 61.321 62.300 0.035 0.000 0.827 150 V CB 1.025 32.879 31.823 0.050 0.000 1.018 150 V HN 0.365 nan 8.190 nan 0.000 0.432 151 A N 6.592 129.405 122.820 -0.012 0.000 2.507 151 A HA 0.422 4.744 4.320 0.003 0.000 0.235 151 A C -1.088 176.500 177.584 0.007 0.000 1.070 151 A CA -0.589 51.438 52.037 -0.017 0.000 0.768 151 A CB -0.043 18.944 19.000 -0.022 0.000 1.011 151 A HN 0.655 nan 8.150 nan 0.000 0.502 152 P HA -0.249 nan 4.420 nan 0.000 0.216 152 P C 1.239 178.560 177.300 0.035 0.000 1.154 152 P CA 1.990 65.106 63.100 0.028 0.000 0.865 152 P CB 0.021 31.730 31.700 0.016 0.000 0.789 153 E N -0.829 119.385 120.200 0.023 0.000 2.268 153 E HA -0.166 4.186 4.350 0.003 0.000 0.195 153 E C 0.689 177.303 176.600 0.025 0.000 0.995 153 E CA 1.038 57.452 56.400 0.023 0.000 0.836 153 E CB -0.713 28.995 29.700 0.014 0.000 0.763 153 E HN 0.241 nan 8.360 nan 0.000 0.491 154 D N 0.706 121.120 120.400 0.024 0.000 2.339 154 D HA 0.102 4.744 4.640 0.003 0.000 0.217 154 D C 0.229 176.550 176.300 0.034 0.000 1.050 154 D CA 0.100 54.114 54.000 0.023 0.000 0.856 154 D CB 0.243 41.053 40.800 0.016 0.000 0.922 154 D HN 0.142 nan 8.370 nan 0.000 0.518 155 R N 1.121 121.651 120.500 0.050 0.000 2.543 155 R HA 0.392 4.734 4.340 0.003 0.000 0.268 155 R C -2.218 174.130 176.300 0.080 0.000 1.067 155 R CA -1.460 54.681 56.100 0.068 0.000 1.142 155 R CB 0.110 30.466 30.300 0.094 0.000 1.110 155 R HN -0.114 nan 8.270 nan 0.000 0.549 156 P HA -0.004 nan 4.420 nan 0.000 0.270 156 P C 0.244 177.660 177.300 0.194 0.000 1.223 156 P CA 0.063 63.234 63.100 0.119 0.000 0.785 156 P CB 0.532 32.308 31.700 0.126 0.000 0.923 157 T N -2.975 111.670 114.554 0.152 0.000 3.054 157 T HA 0.164 4.516 4.350 0.003 0.000 0.255 157 T C 0.372 175.174 174.700 0.170 0.000 1.035 157 T CA -0.141 62.071 62.100 0.188 0.000 0.941 157 T CB -0.223 68.700 68.868 0.091 0.000 1.026 157 T HN 0.643 nan 8.240 nan 0.000 0.533 158 Q N -0.237 119.556 119.800 -0.010 0.000 2.575 158 Q HA 0.335 4.676 4.340 0.003 0.000 0.290 158 Q C -1.450 174.135 176.000 -0.691 0.000 0.963 158 Q CA -1.155 54.320 55.803 -0.547 0.000 0.783 158 Q CB 1.043 29.558 28.738 -0.371 0.000 1.467 158 Q HN 0.153 nan 8.270 nan 0.000 0.402 159 Q N 0.535 119.605 119.800 -1.217 0.000 2.255 159 Q HA -0.014 4.328 4.340 0.003 0.000 0.280 159 Q C -0.251 175.509 176.000 -0.402 0.000 1.068 159 Q CA 0.653 55.935 55.803 -0.868 0.000 0.911 159 Q CB 0.541 28.758 28.738 -0.869 0.000 1.157 159 Q HN 0.691 nan 8.270 nan 0.000 0.380 160 E N 2.698 122.745 120.200 -0.255 0.000 2.498 160 E HA 0.026 4.378 4.350 0.003 0.000 0.203 160 E C -0.562 175.925 176.600 -0.188 0.000 1.013 160 E CA -0.075 56.217 56.400 -0.180 0.000 0.927 160 E CB 0.380 30.011 29.700 -0.114 0.000 1.012 160 E HN 0.636 nan 8.360 nan 0.000 0.482 161 N N 0.056 118.598 118.700 -0.264 0.000 2.525 161 N HA 0.073 4.815 4.740 0.003 0.000 0.288 161 N C -0.194 175.221 175.510 -0.158 0.000 1.242 161 N CA -0.717 52.153 53.050 -0.301 0.000 0.905 161 N CB 0.732 38.771 38.487 -0.747 0.000 1.258 161 N HN -0.232 nan 8.380 nan 0.000 0.551 162 D N -2.084 118.328 120.400 0.020 0.000 2.463 162 D HA 0.108 4.749 4.640 0.003 0.000 0.224 162 D C -0.848 175.607 176.300 0.258 0.000 1.174 162 D CA -0.548 53.515 54.000 0.105 0.000 0.829 162 D CB -0.346 40.515 40.800 0.101 0.000 0.993 162 D HN 0.358 nan 8.370 nan 0.000 0.497 163 W N 0.987 122.281 121.300 -0.011 0.000 2.161 163 W HA 0.317 4.979 4.660 0.004 0.000 0.344 163 W C 0.773 177.295 176.519 0.004 0.000 1.262 163 W CA -0.979 56.370 57.345 0.006 0.000 1.270 163 W CB 0.130 29.606 29.460 0.026 0.000 1.126 163 W HN -0.109 nan 8.180 nan 0.000 0.598 164 D N 2.224 122.771 120.400 0.246 0.000 2.522 164 D HA 0.116 4.758 4.640 0.003 0.000 0.218 164 D C 1.225 177.629 176.300 0.174 0.000 1.149 164 D CA 0.070 54.157 54.000 0.146 0.000 0.981 164 D CB 0.064 40.913 40.800 0.081 0.000 1.041 164 D HN 0.291 nan 8.370 nan 0.000 0.518 165 L N 1.729 123.071 121.223 0.198 0.000 2.042 165 L HA -0.167 4.175 4.340 0.003 0.000 0.210 165 L C 2.040 179.005 176.870 0.159 0.000 1.076 165 L CA 1.137 56.104 54.840 0.212 0.000 0.749 165 L CB -0.207 41.978 42.059 0.209 0.000 0.893 165 L HN 0.362 nan 8.230 nan 0.000 0.432 166 E N -0.278 120.007 120.200 0.143 0.000 2.268 166 E HA -0.195 4.157 4.350 0.003 0.000 0.195 166 E C 1.124 177.779 176.600 0.091 0.000 0.995 166 E CA 0.756 57.248 56.400 0.153 0.000 0.836 166 E CB -0.088 29.727 29.700 0.192 0.000 0.763 166 E HN 0.335 nan 8.360 nan 0.000 0.491 167 N N 0.308 119.047 118.700 0.065 0.000 2.235 167 N HA 0.038 4.780 4.740 0.003 0.000 0.209 167 N C -0.586 174.962 175.510 0.063 0.000 1.122 167 N CA -0.140 52.934 53.050 0.040 0.000 0.845 167 N CB 0.300 38.824 38.487 0.063 0.000 1.004 167 N HN -0.029 nan 8.380 nan 0.000 0.499 168 L N 0.707 121.964 121.223 0.057 0.000 2.417 168 L HA 0.368 4.710 4.340 0.003 0.000 0.268 168 L C -0.836 176.010 176.870 -0.041 0.000 1.158 168 L CA 0.160 55.059 54.840 0.098 0.000 0.819 168 L CB 0.180 42.329 42.059 0.150 0.000 1.112 168 L HN -0.047 nan 8.230 nan 0.000 0.458 169 F N 2.484 122.351 119.950 -0.139 0.000 2.444 169 F HA 0.361 4.888 4.527 0.001 0.000 0.342 169 F C 0.423 176.189 175.800 -0.057 0.000 1.121 169 F CA -0.399 57.468 58.000 -0.222 0.000 0.997 169 F CB 1.762 40.419 39.000 -0.573 0.000 1.130 169 F HN 0.380 nan 8.300 nan 0.000 0.454 170 S N 3.635 119.409 115.700 0.123 0.000 2.410 170 S HA 0.626 5.097 4.470 0.003 0.000 0.304 170 S C -0.909 173.788 174.600 0.161 0.000 1.095 170 S CA -0.481 57.812 58.200 0.154 0.000 1.089 170 S CB 0.067 63.362 63.200 0.159 0.000 0.968 170 S HN 0.359 nan 8.310 nan 0.000 0.480 171 V N 5.661 125.651 119.914 0.128 0.000 2.384 171 V HA 0.356 4.478 4.120 0.003 0.000 0.287 171 V C 0.496 176.618 176.094 0.047 0.000 1.020 171 V CA -0.787 61.563 62.300 0.082 0.000 0.850 171 V CB 1.615 33.500 31.823 0.103 0.000 0.987 171 V HN 0.851 nan 8.190 nan 0.000 0.436 172 T N 6.881 121.438 114.554 0.004 0.000 2.834 172 T HA 0.341 4.693 4.350 0.003 0.000 0.298 172 T C 0.166 174.818 174.700 -0.080 0.000 0.966 172 T CA 0.159 62.231 62.100 -0.046 0.000 1.141 172 T CB 0.040 68.842 68.868 -0.109 0.000 0.905 172 T HN 0.408 nan 8.240 nan 0.000 0.535 173 L N 4.562 125.746 121.223 -0.065 0.000 2.417 173 L HA 0.382 4.724 4.340 0.003 0.000 0.258 173 L C 1.857 178.663 176.870 -0.107 0.000 1.088 173 L CA -0.624 54.183 54.840 -0.055 0.000 0.975 173 L CB 0.225 42.280 42.059 -0.007 0.000 1.341 173 L HN 0.665 nan 8.230 nan 0.000 0.431 174 R N 1.190 121.585 120.500 -0.175 0.000 2.132 174 R HA -0.212 4.130 4.340 0.003 0.000 0.233 174 R C 0.855 176.941 176.300 -0.357 0.000 1.125 174 R CA 2.536 58.459 56.100 -0.295 0.000 0.914 174 R CB 0.180 30.278 30.300 -0.337 0.000 0.845 174 R HN 0.559 nan 8.270 nan 0.000 0.431 175 D N -0.617 119.689 120.400 -0.158 0.000 2.363 175 D HA 0.005 4.647 4.640 0.003 0.000 0.220 175 D C 1.044 177.407 176.300 0.106 0.000 0.994 175 D CA 0.941 54.932 54.000 -0.015 0.000 0.890 175 D CB 0.245 41.141 40.800 0.159 0.000 0.906 175 D HN 0.418 nan 8.370 nan 0.000 0.530 176 A N -0.036 122.803 122.820 0.032 0.000 2.218 176 A HA 0.433 4.754 4.320 0.003 0.000 0.209 176 A C 1.775 179.404 177.584 0.074 0.000 1.168 176 A CA 0.619 52.700 52.037 0.073 0.000 0.804 176 A CB -0.336 18.694 19.000 0.049 0.000 0.834 176 A HN 0.184 nan 8.150 nan 0.000 0.482 177 G N -0.598 108.205 108.800 0.005 0.000 2.273 177 G HA2 -0.239 3.723 3.960 0.003 0.000 0.280 177 G HA3 -0.239 3.723 3.960 0.003 0.000 0.280 177 G C -0.097 174.818 174.900 0.025 0.000 1.047 177 G CA 0.740 45.856 45.100 0.027 0.000 0.869 177 G HN 0.672 nan 8.290 nan 0.000 0.502 178 Q N -1.358 118.441 119.800 -0.001 0.000 2.544 178 Q HA 0.776 5.118 4.340 0.003 0.000 0.291 178 Q C 0.186 176.192 176.000 0.009 0.000 1.068 178 Q CA -0.971 54.843 55.803 0.018 0.000 0.785 178 Q CB 2.244 31.001 28.738 0.033 0.000 1.481 178 Q HN 0.693 nan 8.270 nan 0.000 0.430 179 I N -2.364 118.226 120.570 0.033 0.000 2.785 179 I HA 0.938 5.110 4.170 0.003 0.000 0.302 179 I C -1.117 175.038 176.117 0.063 0.000 1.069 179 I CA -1.152 60.175 61.300 0.045 0.000 1.045 179 I CB 2.131 40.167 38.000 0.060 0.000 1.236 179 I HN 0.554 nan 8.210 nan 0.000 0.429 180 A N 5.984 128.847 122.820 0.072 0.000 2.330 180 A HA 0.793 5.115 4.320 0.003 0.000 0.327 180 A C -0.732 176.915 177.584 0.105 0.000 1.155 180 A CA -0.679 51.407 52.037 0.083 0.000 0.803 180 A CB 1.071 20.118 19.000 0.078 0.000 1.208 180 A HN 0.757 nan 8.150 nan 0.000 0.477 181 L N 3.692 124.974 121.223 0.100 0.000 2.262 181 L HA 0.469 4.811 4.340 0.003 0.000 0.288 181 L C -0.780 176.110 176.870 0.032 0.000 1.035 181 L CA 0.016 54.919 54.840 0.106 0.000 0.820 181 L CB 0.566 42.728 42.059 0.171 0.000 1.204 181 L HN 0.553 nan 8.230 nan 0.000 0.424 182 I N 2.251 122.885 120.570 0.107 0.000 2.433 182 I HA 0.210 4.382 4.170 0.003 0.000 0.292 182 I C 0.033 176.241 176.117 0.151 0.000 1.001 182 I CA -0.682 60.697 61.300 0.131 0.000 1.119 182 I CB 2.156 40.331 38.000 0.291 0.000 1.289 182 I HN 0.516 nan 8.210 nan 0.000 0.438 183 D N 4.886 125.305 120.400 0.033 0.000 2.434 183 D HA -0.006 4.636 4.640 0.003 0.000 0.252 183 D C 1.213 177.598 176.300 0.141 0.000 1.185 183 D CA 0.373 54.382 54.000 0.014 0.000 0.886 183 D CB 1.731 42.458 40.800 -0.122 0.000 1.148 183 D HN 0.813 nan 8.370 nan 0.000 0.483 184 G N 3.049 111.981 108.800 0.219 0.000 2.471 184 G HA2 -0.113 3.849 3.960 0.003 0.000 0.219 184 G HA3 -0.113 3.849 3.960 0.003 0.000 0.219 184 G C 1.144 176.119 174.900 0.126 0.000 1.125 184 G CA 0.916 46.232 45.100 0.360 0.000 0.775 184 G HN 0.584 nan 8.290 nan 0.000 0.548 185 A N 0.075 122.812 122.820 -0.138 0.000 1.984 185 A HA 0.226 4.547 4.320 0.003 0.000 0.203 185 A C 2.430 179.550 177.584 -0.774 0.000 1.292 185 A CA 1.799 53.632 52.037 -0.340 0.000 0.782 185 A CB -0.288 18.617 19.000 -0.158 0.000 0.924 185 A HN 0.398 nan 8.150 nan 0.000 0.475 186 T N -5.679 108.515 114.554 -0.600 0.000 3.037 186 T HA 0.112 4.463 4.350 0.003 0.000 0.251 186 T C 0.615 174.954 174.700 -0.601 0.000 1.079 186 T CA 0.978 62.743 62.100 -0.557 0.000 1.067 186 T CB -0.475 68.236 68.868 -0.261 0.000 0.948 186 T HN 0.734 nan 8.240 nan 0.000 0.496 187 Y N 0.506 120.726 120.300 -0.134 0.000 4.798 187 Y HA -0.182 4.367 4.550 -0.001 0.000 0.237 187 Y C 0.157 175.997 175.900 -0.101 0.000 1.017 187 Y CA -0.262 57.737 58.100 -0.168 0.000 2.010 187 Y CB -2.998 35.194 38.460 -0.447 0.000 1.582 187 Y HN 0.474 nan 8.280 nan 0.000 0.621 188 E N 1.004 121.182 120.200 -0.037 0.000 2.360 188 E HA 0.370 4.722 4.350 0.003 0.000 0.269 188 E C 0.236 176.806 176.600 -0.051 0.000 1.022 188 E CA -0.448 55.922 56.400 -0.050 0.000 0.887 188 E CB 0.701 30.334 29.700 -0.111 0.000 0.990 188 E HN 0.249 nan 8.360 nan 0.000 0.426 189 I N 4.633 125.184 120.570 -0.032 0.000 2.421 189 I HA -0.047 4.125 4.170 0.003 0.000 0.291 189 I C 1.304 177.347 176.117 -0.123 0.000 1.089 189 I CA -0.133 61.144 61.300 -0.039 0.000 1.354 189 I CB 0.450 38.453 38.000 0.005 0.000 1.413 189 I HN 0.360 nan 8.210 nan 0.000 0.513 190 K N 3.137 123.384 120.400 -0.256 0.000 2.167 190 K HA 0.119 4.440 4.320 0.003 0.000 0.203 190 K C 0.567 177.044 176.600 -0.204 0.000 1.052 190 K CA 0.514 56.502 56.287 -0.497 0.000 0.956 190 K CB 0.115 31.816 32.500 -1.332 0.000 0.735 190 K HN 0.576 nan 8.250 nan 0.000 0.451 191 S N -0.559 115.111 115.700 -0.050 0.000 2.558 191 S HA 0.347 4.819 4.470 0.003 0.000 0.277 191 S C -1.834 172.819 174.600 0.088 0.000 1.143 191 S CA -0.782 57.479 58.200 0.102 0.000 0.865 191 S CB 1.382 64.755 63.200 0.288 0.000 1.102 191 S HN -0.177 nan 8.310 nan 0.000 0.454 192 V N 4.704 124.669 119.914 0.084 0.000 2.409 192 V HA 0.576 4.698 4.120 0.003 0.000 0.291 192 V C -0.566 175.573 176.094 0.075 0.000 1.020 192 V CA -0.487 61.857 62.300 0.073 0.000 0.848 192 V CB 1.220 33.077 31.823 0.056 0.000 0.990 192 V HN 0.781 nan 8.190 nan 0.000 0.430 193 L N 3.609 124.877 121.223 0.075 0.000 2.346 193 L HA 0.602 4.944 4.340 0.003 0.000 0.274 193 L C -0.488 176.414 176.870 0.054 0.000 1.007 193 L CA -0.841 54.039 54.840 0.067 0.000 0.818 193 L CB 2.118 44.223 42.059 0.077 0.000 1.284 193 L HN 0.503 nan 8.230 nan 0.000 0.424 194 D N 1.574 122.002 120.400 0.047 0.000 2.351 194 D HA 0.365 5.007 4.640 0.003 0.000 0.251 194 D C 0.307 176.637 176.300 0.049 0.000 1.137 194 D CA 0.266 54.294 54.000 0.046 0.000 0.879 194 D CB 1.662 42.487 40.800 0.041 0.000 1.181 194 D HN 0.667 nan 8.370 nan 0.000 0.448 195 T N -1.709 112.875 114.554 0.051 0.000 2.565 195 T HA 0.642 4.994 4.350 0.003 0.000 0.266 195 T C 0.544 175.283 174.700 0.064 0.000 0.905 195 T CA -0.950 61.182 62.100 0.053 0.000 1.122 195 T CB 0.653 69.543 68.868 0.037 0.000 1.437 195 T HN 0.219 nan 8.240 nan 0.000 0.506 196 G N -0.589 108.246 108.800 0.058 0.000 2.606 196 G HA2 0.426 4.388 3.960 0.003 0.000 0.252 196 G HA3 0.426 4.388 3.960 0.003 0.000 0.252 196 G C -0.979 173.969 174.900 0.081 0.000 1.206 196 G CA -0.561 44.584 45.100 0.076 0.000 0.861 196 G HN 0.713 nan 8.290 nan 0.000 0.561 197 Y N 1.150 121.450 120.300 -0.001 0.000 2.511 197 Y HA 0.303 4.855 4.550 0.004 0.000 0.332 197 Y C 0.939 176.813 175.900 -0.043 0.000 1.177 197 Y CA 0.417 58.507 58.100 -0.016 0.000 1.422 197 Y CB 0.543 38.996 38.460 -0.013 0.000 1.271 197 Y HN 1.305 nan 8.280 nan 0.000 0.550 198 A N 3.877 126.166 122.820 -0.885 0.000 2.466 198 A HA -0.187 4.135 4.320 0.003 0.000 0.295 198 A C 0.119 177.522 177.584 -0.301 0.000 1.465 198 A CA 0.587 52.200 52.037 -0.707 0.000 0.744 198 A CB -2.585 15.910 19.000 -0.842 0.000 1.098 198 A HN 0.729 nan 8.150 nan 0.000 0.402 199 V N 1.128 120.923 119.914 -0.198 0.000 2.678 199 V HA -0.134 3.987 4.120 0.003 0.000 0.304 199 V C 1.776 177.816 176.094 -0.089 0.000 1.086 199 V CA 1.725 63.972 62.300 -0.088 0.000 1.246 199 V CB 0.277 32.067 31.823 -0.054 0.000 0.861 199 V HN 0.832 nan 8.190 nan 0.000 0.491 200 H N 4.754 123.770 119.070 -0.091 0.000 2.399 200 H HA 0.332 4.890 4.556 0.004 0.000 0.300 200 H C 0.532 175.870 175.328 0.016 0.000 1.048 200 H CA 1.473 57.489 56.048 -0.052 0.000 1.370 200 H CB 0.408 30.133 29.762 -0.061 0.000 1.428 200 H HN 0.693 nan 8.280 nan 0.000 0.534 201 I N -2.965 117.621 120.570 0.026 0.000 2.913 201 I HA 0.488 4.660 4.170 0.003 0.000 0.302 201 I C -1.073 174.912 176.117 -0.220 0.000 1.246 201 I CA -1.007 60.212 61.300 -0.135 0.000 1.010 201 I CB 2.696 40.538 38.000 -0.264 0.000 1.259 201 I HN -0.250 nan 8.210 nan 0.000 0.434 202 S N 3.192 118.607 115.700 -0.476 0.000 2.509 202 S HA 0.701 5.173 4.470 0.003 0.000 0.297 202 S C -0.532 173.798 174.600 -0.451 0.000 1.118 202 S CA -0.825 57.202 58.200 -0.289 0.000 1.074 202 S CB 1.166 64.359 63.200 -0.011 0.000 1.038 202 S HN 0.455 nan 8.310 nan 0.000 0.498 203 R N 1.684 122.094 120.500 -0.150 0.000 2.744 203 R HA 0.529 4.870 4.340 0.003 0.000 0.279 203 R C -1.436 174.924 176.300 0.100 0.000 0.977 203 R CA -0.790 55.262 56.100 -0.080 0.000 0.906 203 R CB 1.287 31.531 30.300 -0.093 0.000 1.197 203 R HN 0.423 nan 8.270 nan 0.000 0.463 204 L N 1.471 122.748 121.223 0.090 0.000 2.334 204 L HA 0.383 4.725 4.340 0.003 0.000 0.276 204 L C 0.921 177.887 176.870 0.160 0.000 1.014 204 L CA -0.402 54.525 54.840 0.144 0.000 0.815 204 L CB 1.811 43.912 42.059 0.069 0.000 1.268 204 L HN 0.794 nan 8.230 nan 0.000 0.428 205 S N 1.272 117.123 115.700 0.252 0.000 2.584 205 S HA 0.216 4.688 4.470 0.003 0.000 0.270 205 S C 1.271 175.909 174.600 0.063 0.000 1.346 205 S CA 0.125 58.443 58.200 0.197 0.000 1.018 205 S CB 1.031 64.422 63.200 0.319 0.000 0.899 205 S HN 0.714 nan 8.310 nan 0.000 0.542 206 A N 1.649 124.479 122.820 0.017 0.000 2.019 206 A HA -0.035 4.287 4.320 0.003 0.000 0.219 206 A C 2.373 179.938 177.584 -0.033 0.000 1.164 206 A CA 1.725 53.741 52.037 -0.034 0.000 0.644 206 A CB -1.386 17.579 19.000 -0.057 0.000 0.805 206 A HN 1.347 nan 8.150 nan 0.000 0.449 207 S N -2.261 113.427 115.700 -0.020 0.000 2.496 207 S HA 0.351 4.822 4.470 0.003 0.000 0.224 207 S C 1.526 176.119 174.600 -0.012 0.000 0.996 207 S CA 1.116 59.302 58.200 -0.024 0.000 0.927 207 S CB -0.255 62.902 63.200 -0.072 0.000 0.774 207 S HN 1.889 nan 8.310 nan 0.000 0.524 208 G N 1.793 110.581 108.800 -0.020 0.000 2.179 208 G HA2 -0.347 3.615 3.960 0.003 0.000 0.260 208 G HA3 -0.347 3.615 3.960 0.003 0.000 0.260 208 G C 0.815 175.676 174.900 -0.065 0.000 0.977 208 G CA 0.462 45.564 45.100 0.003 0.000 0.641 208 G HN 0.599 nan 8.290 nan 0.000 0.533 209 R N -0.902 119.434 120.500 -0.273 0.000 2.075 209 R HA 0.177 4.518 4.340 0.003 0.000 0.226 209 R C 0.304 176.230 176.300 -0.623 0.000 1.114 209 R CA 0.793 56.477 56.100 -0.692 0.000 0.972 209 R CB -0.011 29.430 30.300 -1.431 0.000 0.869 209 R HN 0.353 nan 8.270 nan 0.000 0.437 210 Y N 0.676 120.851 120.300 -0.208 0.000 2.328 210 Y HA 0.316 4.868 4.550 0.004 0.000 0.337 210 Y C -0.501 175.286 175.900 -0.189 0.000 1.008 210 Y CA -1.193 56.759 58.100 -0.247 0.000 1.129 210 Y CB 1.591 39.886 38.460 -0.275 0.000 1.185 210 Y HN 0.009 nan 8.280 nan 0.000 0.476 211 L N 5.043 126.200 121.223 -0.110 0.000 2.272 211 L HA 0.594 4.935 4.340 0.003 0.000 0.289 211 L C -1.721 175.003 176.870 -0.243 0.000 1.032 211 L CA -0.574 54.227 54.840 -0.064 0.000 0.810 211 L CB -0.131 41.924 42.059 -0.007 0.000 1.205 211 L HN 0.357 nan 8.230 nan 0.000 0.422 212 F N 5.180 125.136 119.950 0.009 0.000 2.436 212 F HA 0.658 5.187 4.527 0.003 0.000 0.340 212 F C 0.104 175.880 175.800 -0.040 0.000 1.113 212 F CA -0.652 57.337 58.000 -0.017 0.000 1.022 212 F CB 1.922 40.895 39.000 -0.045 0.000 1.128 212 F HN 0.386 nan 8.300 nan 0.000 0.466 213 V N 2.475 122.458 119.914 0.115 0.000 2.735 213 V HA 0.692 4.814 4.120 0.003 0.000 0.310 213 V C -1.011 175.113 176.094 0.049 0.000 1.061 213 V CA -0.926 61.406 62.300 0.055 0.000 0.913 213 V CB 1.985 33.828 31.823 0.034 0.000 1.005 213 V HN 0.767 nan 8.190 nan 0.000 0.428 214 I N 2.980 123.559 120.570 0.016 0.000 2.465 214 I HA 0.841 5.013 4.170 0.003 0.000 0.291 214 I C 0.625 176.742 176.117 0.000 0.000 1.014 214 I CA -0.254 61.048 61.300 0.004 0.000 1.093 214 I CB 1.517 39.501 38.000 -0.027 0.000 1.267 214 I HN 1.007 nan 8.210 nan 0.000 0.431 215 G N 5.506 114.306 108.800 -0.001 0.000 2.504 215 G HA2 0.250 4.212 3.960 0.003 0.000 0.288 215 G HA3 0.250 4.212 3.960 0.003 0.000 0.288 215 G C 0.706 175.595 174.900 -0.019 0.000 1.182 215 G CA -0.702 44.397 45.100 -0.002 0.000 0.894 215 G HN 0.854 nan 8.290 nan 0.000 0.521 216 R N -0.352 120.140 120.500 -0.014 0.000 2.193 216 R HA -0.081 4.261 4.340 0.003 0.000 0.229 216 R C 0.911 177.198 176.300 -0.022 0.000 1.110 216 R CA 1.668 57.741 56.100 -0.045 0.000 0.988 216 R CB -0.144 30.142 30.300 -0.024 0.000 0.871 216 R HN 0.524 nan 8.270 nan 0.000 0.458 217 D N -0.167 120.246 120.400 0.022 0.000 2.349 217 D HA 0.042 4.684 4.640 0.003 0.000 0.224 217 D C 1.088 177.362 176.300 -0.043 0.000 1.029 217 D CA 0.726 54.736 54.000 0.018 0.000 0.879 217 D CB 0.257 41.091 40.800 0.057 0.000 0.906 217 D HN 0.450 nan 8.370 nan 0.000 0.528 218 G N 0.500 109.261 108.800 -0.066 0.000 2.175 218 G HA2 -0.301 3.660 3.960 0.003 0.000 0.244 218 G HA3 -0.301 3.660 3.960 0.003 0.000 0.244 218 G C 0.214 175.071 174.900 -0.071 0.000 0.982 218 G CA 0.173 45.209 45.100 -0.108 0.000 0.641 218 G HN 0.561 nan 8.290 nan 0.000 0.527 219 K N 0.943 121.333 120.400 -0.018 0.000 2.297 219 K HA 0.579 4.901 4.320 0.003 0.000 0.286 219 K C 0.110 176.729 176.600 0.032 0.000 1.053 219 K CA -0.289 56.012 56.287 0.023 0.000 0.940 219 K CB 1.121 33.652 32.500 0.053 0.000 1.019 219 K HN 0.201 nan 8.250 nan 0.000 0.475 220 V N 5.693 125.639 119.914 0.052 0.000 2.417 220 V HA 0.367 4.489 4.120 0.003 0.000 0.291 220 V C -0.267 175.882 176.094 0.092 0.000 1.024 220 V CA -0.873 61.470 62.300 0.072 0.000 0.861 220 V CB 1.452 33.323 31.823 0.080 0.000 0.985 220 V HN 0.832 nan 8.190 nan 0.000 0.436 221 N N 4.600 123.348 118.700 0.080 0.000 2.362 221 N HA 0.571 5.313 4.740 0.003 0.000 0.298 221 N C -0.969 174.535 175.510 -0.009 0.000 1.048 221 N CA -0.597 52.488 53.050 0.058 0.000 0.858 221 N CB 2.533 41.053 38.487 0.054 0.000 1.218 221 N HN 0.581 nan 8.380 nan 0.000 0.488 222 M N 3.615 123.163 119.600 -0.085 0.000 2.181 222 M HA 0.478 4.960 4.480 0.003 0.000 0.323 222 M C -1.670 174.511 176.300 -0.198 0.000 1.004 222 M CA -0.526 54.568 55.300 -0.343 0.000 0.941 222 M CB 0.878 33.246 32.600 -0.386 0.000 1.579 222 M HN 0.463 nan 8.290 nan 0.000 0.427 223 I N 3.638 124.088 120.570 -0.201 0.000 2.433 223 I HA 0.281 4.453 4.170 0.003 0.000 0.292 223 I C -0.710 175.411 176.117 0.007 0.000 1.001 223 I CA -0.650 60.619 61.300 -0.051 0.000 1.119 223 I CB 1.886 39.873 38.000 -0.022 0.000 1.289 223 I HN 0.568 nan 8.210 nan 0.000 0.438 224 D N 6.499 126.924 120.400 0.042 0.000 2.380 224 D HA 0.240 4.882 4.640 0.003 0.000 0.230 224 D C 0.717 176.964 176.300 -0.089 0.000 1.154 224 D CA -0.086 53.905 54.000 -0.015 0.000 0.859 224 D CB 1.069 41.908 40.800 0.063 0.000 1.045 224 D HN 0.433 nan 8.370 nan 0.000 0.495 225 L N 2.719 123.857 121.223 -0.142 0.000 2.551 225 L HA -0.003 4.338 4.340 0.003 0.000 0.228 225 L C 1.184 178.082 176.870 0.047 0.000 1.153 225 L CA 0.167 54.977 54.840 -0.051 0.000 0.851 225 L CB -0.028 42.042 42.059 0.019 0.000 0.959 225 L HN 0.485 nan 8.230 nan 0.000 0.451 226 W N -0.328 120.821 121.300 -0.253 0.000 3.003 226 W HA 0.143 4.804 4.660 0.003 0.000 0.257 226 W C 1.071 177.452 176.519 -0.230 0.000 1.308 226 W CA -0.758 56.446 57.345 -0.234 0.000 1.529 226 W CB -0.399 28.936 29.460 -0.209 0.000 1.115 226 W HN 0.014 nan 8.180 nan 0.000 0.659 227 M N 0.879 120.470 119.600 -0.015 0.000 2.245 227 M HA -0.013 4.469 4.480 0.003 0.000 0.330 227 M C 1.936 178.125 176.300 -0.186 0.000 1.098 227 M CA 0.165 55.422 55.300 -0.071 0.000 1.172 227 M CB 0.791 33.359 32.600 -0.052 0.000 1.467 227 M HN -0.321 nan 8.290 nan 0.000 0.454 228 K N 1.901 122.218 120.400 -0.139 0.000 2.074 228 K HA -0.131 4.191 4.320 0.003 0.000 0.209 228 K C -0.220 176.268 176.600 -0.187 0.000 1.048 228 K CA 1.738 57.929 56.287 -0.160 0.000 0.926 228 K CB 0.234 32.687 32.500 -0.079 0.000 0.713 228 K HN 0.637 nan 8.250 nan 0.000 0.444 229 E N 1.116 121.245 120.200 -0.119 0.000 2.489 229 E HA 0.234 4.586 4.350 0.003 0.000 0.232 229 E C -2.504 174.054 176.600 -0.071 0.000 0.990 229 E CA -2.280 54.081 56.400 -0.065 0.000 0.768 229 E CB 1.435 31.142 29.700 0.012 0.000 1.270 229 E HN 0.123 nan 8.360 nan 0.000 0.423 230 P HA -0.087 nan 4.420 nan 0.000 0.263 230 P C -0.277 177.033 177.300 0.016 0.000 1.175 230 P CA 0.467 63.519 63.100 -0.080 0.000 0.761 230 P CB 0.844 32.474 31.700 -0.116 0.000 0.794 231 T N 0.937 115.502 114.554 0.018 0.000 2.711 231 T HA 0.318 4.670 4.350 0.003 0.000 0.302 231 T C -0.987 173.736 174.700 0.039 0.000 1.373 231 T CA -0.499 61.621 62.100 0.033 0.000 1.000 231 T CB 0.534 69.414 68.868 0.020 0.000 1.483 231 T HN 0.131 nan 8.240 nan 0.000 0.499 232 T N 2.147 116.731 114.554 0.050 0.000 2.799 232 T HA 0.301 4.653 4.350 0.003 0.000 0.296 232 T C 1.606 176.398 174.700 0.152 0.000 0.947 232 T CA 0.266 62.421 62.100 0.092 0.000 1.141 232 T CB 0.608 69.552 68.868 0.128 0.000 0.891 232 T HN 0.635 nan 8.240 nan 0.000 0.533 233 V N 0.894 120.866 119.914 0.098 0.000 3.431 233 V HA 0.718 4.840 4.120 0.003 0.000 0.253 233 V C 0.606 176.709 176.094 0.014 0.000 1.184 233 V CA 0.374 62.725 62.300 0.085 0.000 1.104 233 V CB -0.566 31.283 31.823 0.045 0.000 0.799 233 V HN 0.912 nan 8.190 nan 0.000 0.462 234 A N 0.765 123.577 122.820 -0.013 0.000 2.604 234 A HA 0.785 5.106 4.320 0.003 0.000 0.295 234 A C -0.935 176.642 177.584 -0.012 0.000 1.067 234 A CA -0.270 51.707 52.037 -0.099 0.000 0.683 234 A CB 1.526 20.521 19.000 -0.008 0.000 1.281 234 A HN 0.650 nan 8.150 nan 0.000 0.407 235 E N 0.627 120.822 120.200 -0.009 0.000 2.408 235 E HA 0.859 5.211 4.350 0.003 0.000 0.275 235 E C -1.348 175.367 176.600 0.192 0.000 0.935 235 E CA -0.755 55.704 56.400 0.098 0.000 0.775 235 E CB 2.236 32.007 29.700 0.118 0.000 1.277 235 E HN 0.910 nan 8.360 nan 0.000 0.455 236 I N -0.031 120.645 120.570 0.177 0.000 2.947 236 I HA 0.352 4.524 4.170 0.003 0.000 0.301 236 I C -2.018 174.182 176.117 0.138 0.000 1.453 236 I CA -0.767 60.653 61.300 0.200 0.000 0.984 236 I CB 2.296 40.404 38.000 0.180 0.000 1.333 236 I HN 0.632 nan 8.210 nan 0.000 0.475 237 K N 5.245 125.745 120.400 0.167 0.000 2.244 237 K HA 0.481 4.803 4.320 0.003 0.000 0.260 237 K C -0.024 176.628 176.600 0.087 0.000 0.951 237 K CA -0.505 55.837 56.287 0.091 0.000 0.826 237 K CB 1.345 33.924 32.500 0.131 0.000 1.108 237 K HN 0.595 nan 8.250 nan 0.000 0.433 238 I N -0.061 120.456 120.570 -0.088 0.000 4.082 238 I HA 0.452 4.624 4.170 0.003 0.000 0.337 238 I C 0.349 176.321 176.117 -0.241 0.000 1.352 238 I CA -0.167 61.098 61.300 -0.058 0.000 1.097 238 I CB 1.119 39.092 38.000 -0.045 0.000 1.048 238 I HN 0.615 nan 8.210 nan 0.000 0.393 239 G N -0.296 108.141 108.800 -0.605 0.000 2.428 239 G HA2 0.366 4.327 3.960 0.003 0.000 0.304 239 G HA3 0.366 4.327 3.960 0.003 0.000 0.304 239 G C -0.385 174.193 174.900 -0.536 0.000 1.303 239 G CA 0.141 44.889 45.100 -0.586 0.000 0.825 239 G HN -0.152 nan 8.290 nan 0.000 0.484 240 S N -0.442 115.149 115.700 -0.183 0.000 2.475 240 S HA 0.282 4.754 4.470 0.003 0.000 0.224 240 S C 0.150 174.778 174.600 0.046 0.000 1.042 240 S CA 0.541 58.736 58.200 -0.009 0.000 0.935 240 S CB 0.213 63.545 63.200 0.220 0.000 0.801 240 S HN 0.448 nan 8.310 nan 0.000 0.509 241 E N 0.625 120.870 120.200 0.074 0.000 2.260 241 E HA 0.703 5.055 4.350 0.003 0.000 0.266 241 E C -1.106 175.459 176.600 -0.059 0.000 0.887 241 E CA -0.267 56.164 56.400 0.052 0.000 0.777 241 E CB 2.010 31.821 29.700 0.184 0.000 1.205 241 E HN 0.234 nan 8.360 nan 0.000 0.414 242 A N 2.627 125.331 122.820 -0.192 0.000 2.572 242 A HA 0.719 5.041 4.320 0.003 0.000 0.295 242 A C 0.008 177.355 177.584 -0.395 0.000 1.072 242 A CA -0.569 51.304 52.037 -0.273 0.000 0.691 242 A CB 1.423 20.326 19.000 -0.162 0.000 1.291 242 A HN 0.420 nan 8.150 nan 0.000 0.404 243 R N -0.017 120.216 120.500 -0.446 0.000 2.582 243 R HA 0.203 4.544 4.340 0.003 0.000 0.285 243 R C 0.060 176.236 176.300 -0.207 0.000 0.940 243 R CA 0.965 56.800 56.100 -0.441 0.000 1.072 243 R CB 0.389 30.260 30.300 -0.715 0.000 1.527 243 R HN 0.876 nan 8.270 nan 0.000 0.538 244 S N 0.093 115.695 115.700 -0.164 0.000 2.548 244 S HA 0.780 5.252 4.470 0.003 0.000 0.286 244 S C -0.416 174.101 174.600 -0.138 0.000 1.098 244 S CA -0.740 57.389 58.200 -0.118 0.000 0.930 244 S CB 2.496 65.632 63.200 -0.106 0.000 1.070 244 S HN 0.153 nan 8.310 nan 0.000 0.480 245 I N 0.643 121.122 120.570 -0.151 0.000 2.841 245 I HA 0.760 4.931 4.170 0.003 0.000 0.298 245 I C -1.900 174.080 176.117 -0.227 0.000 1.304 245 I CA -0.211 60.970 61.300 -0.199 0.000 1.019 245 I CB 2.203 40.117 38.000 -0.143 0.000 1.282 245 I HN 0.898 nan 8.210 nan 0.000 0.432 246 E N 3.083 123.091 120.200 -0.320 0.000 2.430 246 E HA 0.615 4.967 4.350 0.003 0.000 0.279 246 E C -1.514 174.899 176.600 -0.313 0.000 1.003 246 E CA -0.409 55.836 56.400 -0.259 0.000 0.801 246 E CB 2.042 31.635 29.700 -0.178 0.000 1.313 246 E HN 0.618 nan 8.360 nan 0.000 0.459 247 T N -0.918 113.557 114.554 -0.131 0.000 2.932 247 T HA 0.667 5.019 4.350 0.003 0.000 0.289 247 T C -0.260 174.540 174.700 0.165 0.000 1.039 247 T CA -0.615 61.437 62.100 -0.081 0.000 1.024 247 T CB 1.112 69.894 68.868 -0.142 0.000 1.090 247 T HN 0.514 nan 8.240 nan 0.000 0.496 248 S N 0.926 116.675 115.700 0.082 0.000 2.516 248 S HA 0.292 4.764 4.470 0.003 0.000 0.282 248 S C 0.241 174.807 174.600 -0.056 0.000 1.286 248 S CA -0.752 57.361 58.200 -0.146 0.000 1.066 248 S CB 0.448 63.377 63.200 -0.451 0.000 0.884 248 S HN 0.828 nan 8.310 nan 0.000 0.491 249 K N 0.788 121.146 120.400 -0.070 0.000 2.447 249 K HA 0.227 4.549 4.320 0.003 0.000 0.205 249 K C -0.140 176.336 176.600 -0.205 0.000 1.059 249 K CA -0.332 55.848 56.287 -0.179 0.000 1.065 249 K CB 0.419 32.730 32.500 -0.314 0.000 0.885 249 K HN 0.615 nan 8.250 nan 0.000 0.545 250 M N 2.448 122.034 119.600 -0.024 0.000 2.200 250 M HA 0.057 4.539 4.480 0.003 0.000 0.355 250 M C -0.003 176.361 176.300 0.107 0.000 1.283 250 M CA -0.125 55.186 55.300 0.018 0.000 1.124 250 M CB 0.606 33.227 32.600 0.036 0.000 1.625 250 M HN 0.041 nan 8.290 nan 0.000 0.463 251 E N 3.432 123.649 120.200 0.027 0.000 2.608 251 E HA 0.214 4.566 4.350 0.003 0.000 0.259 251 E C 0.873 177.528 176.600 0.091 0.000 0.951 251 E CA 1.321 57.736 56.400 0.024 0.000 0.945 251 E CB -0.026 29.663 29.700 -0.019 0.000 0.916 251 E HN 0.979 nan 8.360 nan 0.000 0.477 252 G N 3.869 112.668 108.800 -0.001 0.000 2.234 252 G HA2 -0.259 3.703 3.960 0.003 0.000 0.235 252 G HA3 -0.259 3.703 3.960 0.003 0.000 0.235 252 G C 0.076 174.772 174.900 -0.341 0.000 0.997 252 G CA 0.208 45.213 45.100 -0.158 0.000 0.623 252 G HN 0.645 nan 8.290 nan 0.000 0.514 253 W N 1.958 123.243 121.300 -0.025 0.000 2.926 253 W HA 0.642 5.303 4.660 0.002 0.000 0.419 253 W C 0.325 176.789 176.519 -0.091 0.000 0.993 253 W CA -0.576 56.753 57.345 -0.026 0.000 2.025 253 W CB 0.477 30.006 29.460 0.115 0.000 1.152 253 W HN 0.136 nan 8.180 nan 0.000 0.659 254 E N 1.130 121.350 120.200 0.034 0.000 2.415 254 E HA 0.001 4.353 4.350 0.003 0.000 0.263 254 E C 0.480 177.068 176.600 -0.021 0.000 0.995 254 E CA 0.999 57.397 56.400 -0.004 0.000 0.915 254 E CB 0.098 29.782 29.700 -0.026 0.000 0.951 254 E HN 0.040 nan 8.360 nan 0.000 0.449 255 D N 1.986 122.386 120.400 -0.001 0.000 3.079 255 D HA -0.202 4.439 4.640 0.003 0.000 0.214 255 D C 0.718 176.977 176.300 -0.069 0.000 1.145 255 D CA 0.832 54.843 54.000 0.018 0.000 0.958 255 D CB -0.433 40.405 40.800 0.063 0.000 1.117 255 D HN 0.379 nan 8.370 nan 0.000 0.416 256 K N -0.935 119.388 120.400 -0.128 0.000 2.076 256 K HA 0.025 4.347 4.320 0.003 0.000 0.204 256 K C 0.625 176.886 176.600 -0.566 0.000 1.051 256 K CA 1.165 57.248 56.287 -0.340 0.000 0.949 256 K CB 0.206 32.573 32.500 -0.221 0.000 0.726 256 K HN 0.323 nan 8.250 nan 0.000 0.443 257 Y N -1.329 118.901 120.300 -0.117 0.000 2.588 257 Y HA 0.529 5.081 4.550 0.003 0.000 0.343 257 Y C -0.514 175.293 175.900 -0.154 0.000 1.065 257 Y CA -1.532 56.493 58.100 -0.125 0.000 1.038 257 Y CB 1.901 40.267 38.460 -0.156 0.000 1.297 257 Y HN -0.092 nan 8.280 nan 0.000 0.467 258 A N 2.015 124.796 122.820 -0.064 0.000 2.413 258 A HA 0.872 5.194 4.320 0.003 0.000 0.307 258 A C -1.713 175.620 177.584 -0.418 0.000 1.087 258 A CA -0.807 50.994 52.037 -0.392 0.000 0.750 258 A CB 1.525 20.059 19.000 -0.777 0.000 1.296 258 A HN 0.762 nan 8.150 nan 0.000 0.423 259 I N 0.554 120.729 120.570 -0.658 0.000 2.582 259 I HA 0.734 4.906 4.170 0.003 0.000 0.292 259 I C -0.372 175.483 176.117 -0.437 0.000 1.066 259 I CA -0.679 60.224 61.300 -0.661 0.000 1.053 259 I CB 1.886 39.125 38.000 -1.269 0.000 1.241 259 I HN 0.861 nan 8.210 nan 0.000 0.421 260 A N 4.794 127.456 122.820 -0.262 0.000 2.365 260 A HA 0.882 5.204 4.320 0.003 0.000 0.318 260 A C -0.524 176.995 177.584 -0.109 0.000 1.091 260 A CA -0.453 51.477 52.037 -0.179 0.000 0.763 260 A CB 1.569 20.494 19.000 -0.125 0.000 1.248 260 A HN 0.849 nan 8.150 nan 0.000 0.442 261 G N -0.096 108.643 108.800 -0.102 0.000 2.452 261 G HA2 0.735 4.697 3.960 0.003 0.000 0.324 261 G HA3 0.735 4.697 3.960 0.003 0.000 0.324 261 G C -0.465 174.409 174.900 -0.044 0.000 1.214 261 G CA 0.132 45.210 45.100 -0.038 0.000 0.947 261 G HN 1.491 nan 8.290 nan 0.000 0.478 262 A N 1.168 123.991 122.820 0.005 0.000 2.380 262 A HA 0.688 5.009 4.320 0.003 0.000 0.315 262 A C -0.025 177.668 177.584 0.181 0.000 1.101 262 A CA -0.655 51.389 52.037 0.011 0.000 0.771 262 A CB 1.180 20.158 19.000 -0.036 0.000 1.287 262 A HN 0.621 nan 8.150 nan 0.000 0.436 263 Y N -0.095 120.217 120.300 0.020 0.000 2.269 263 Y HA 0.090 4.642 4.550 0.003 0.000 0.294 263 Y C 0.701 176.697 175.900 0.160 0.000 1.120 263 Y CA 0.420 58.568 58.100 0.079 0.000 1.159 263 Y CB 0.182 38.696 38.460 0.089 0.000 1.024 263 Y HN 0.666 nan 8.280 nan 0.000 0.532 264 W N 1.622 123.014 121.300 0.154 0.000 3.097 264 W HA 0.315 4.977 4.660 0.003 0.000 0.335 264 W C -3.058 173.492 176.519 0.052 0.000 1.114 264 W CA -2.333 55.065 57.345 0.088 0.000 1.231 264 W CB 2.118 31.622 29.460 0.073 0.000 1.388 264 W HN -0.157 nan 8.180 nan 0.000 0.485 265 P HA 0.160 nan 4.420 nan 0.000 0.273 265 P C -2.543 174.405 177.300 -0.586 0.000 1.250 265 P CA -1.016 61.295 63.100 -1.315 0.000 0.793 265 P CB 0.093 31.285 31.700 -0.847 0.000 1.011 266 P HA 0.092 nan 4.420 nan 0.000 0.268 266 P C -0.739 176.457 177.300 -0.173 0.000 1.485 266 P CA 0.477 63.448 63.100 -0.216 0.000 1.102 266 P CB -0.404 31.200 31.700 -0.161 0.000 1.501 267 Q N 2.663 122.395 119.800 -0.113 0.000 2.633 267 Q HA 0.500 4.842 4.340 0.003 0.000 0.289 267 Q C -1.633 174.351 176.000 -0.026 0.000 0.940 267 Q CA -1.103 54.624 55.803 -0.127 0.000 0.785 267 Q CB 1.198 29.828 28.738 -0.181 0.000 1.467 267 Q HN 0.289 nan 8.270 nan 0.000 0.401 268 Y N -1.603 118.639 120.300 -0.097 0.000 2.536 268 Y HA 0.845 5.397 4.550 0.003 0.000 0.347 268 Y C -1.441 174.385 175.900 -0.124 0.000 1.000 268 Y CA -1.225 56.804 58.100 -0.119 0.000 1.051 268 Y CB 1.896 40.277 38.460 -0.132 0.000 1.259 268 Y HN 0.436 nan 8.280 nan 0.000 0.468 269 V N 4.400 124.338 119.914 0.041 0.000 2.531 269 V HA 0.401 4.523 4.120 0.003 0.000 0.301 269 V C -0.305 175.756 176.094 -0.056 0.000 1.034 269 V CA -0.957 61.314 62.300 -0.047 0.000 0.865 269 V CB 1.559 33.337 31.823 -0.075 0.000 0.995 269 V HN 0.792 nan 8.190 nan 0.000 0.424 270 I N 5.605 126.141 120.570 -0.056 0.000 2.312 270 I HA 0.426 4.598 4.170 0.003 0.000 0.291 270 I C -0.038 176.023 176.117 -0.092 0.000 1.031 270 I CA 0.142 61.380 61.300 -0.102 0.000 1.293 270 I CB 1.059 38.999 38.000 -0.100 0.000 1.403 270 I HN 0.506 nan 8.210 nan 0.000 0.484 271 M N 4.786 124.348 119.600 -0.064 0.000 2.578 271 M HA 0.305 4.787 4.480 0.003 0.000 0.321 271 M C -0.081 176.283 176.300 0.106 0.000 1.182 271 M CA -0.760 54.516 55.300 -0.040 0.000 0.965 271 M CB 1.574 34.117 32.600 -0.094 0.000 1.694 271 M HN 0.430 nan 8.290 nan 0.000 0.461 272 D N 1.112 121.544 120.400 0.053 0.000 2.458 272 D HA 0.005 4.647 4.640 0.003 0.000 0.243 272 D C 0.868 177.168 176.300 -0.001 0.000 1.146 272 D CA 0.408 54.435 54.000 0.044 0.000 0.877 272 D CB 1.385 42.181 40.800 -0.006 0.000 1.176 272 D HN 0.840 nan 8.370 nan 0.000 0.461 273 G N 3.417 112.175 108.800 -0.069 0.000 2.509 273 G HA2 -0.180 3.782 3.960 0.003 0.000 0.218 273 G HA3 -0.180 3.782 3.960 0.003 0.000 0.218 273 G C 1.218 176.070 174.900 -0.079 0.000 1.124 273 G CA 0.318 45.394 45.100 -0.039 0.000 0.776 273 G HN 0.609 nan 8.290 nan 0.000 0.547 274 E N -0.749 119.370 120.200 -0.135 0.000 2.340 274 E HA -0.003 4.349 4.350 0.003 0.000 0.198 274 E C 2.399 178.904 176.600 -0.158 0.000 0.961 274 E CA 1.155 57.411 56.400 -0.240 0.000 0.905 274 E CB 0.415 30.035 29.700 -0.134 0.000 0.884 274 E HN 0.525 nan 8.360 nan 0.000 0.491 275 T N -2.477 112.075 114.554 -0.004 0.000 2.958 275 T HA 0.216 4.568 4.350 0.003 0.000 0.256 275 T C 1.135 176.010 174.700 0.291 0.000 0.983 275 T CA -0.260 61.930 62.100 0.150 0.000 0.924 275 T CB 0.422 69.459 68.868 0.282 0.000 1.136 275 T HN 0.116 nan 8.240 nan 0.000 0.506 276 L N 0.263 121.564 121.223 0.130 0.000 4.759 276 L HA -0.151 4.191 4.340 0.003 0.000 0.419 276 L C 0.332 176.994 176.870 -0.346 0.000 1.093 276 L CA 0.459 55.325 54.840 0.043 0.000 1.037 276 L CB -1.781 40.374 42.059 0.159 0.000 2.095 276 L HN 0.547 nan 8.230 nan 0.000 0.739 277 E N 3.366 123.287 120.200 -0.466 0.000 2.465 277 E HA 0.042 4.394 4.350 0.003 0.000 0.260 277 E C -1.947 174.270 176.600 -0.640 0.000 0.980 277 E CA -1.295 54.403 56.400 -1.171 0.000 0.927 277 E CB 0.688 29.972 29.700 -0.694 0.000 0.934 277 E HN 0.046 nan 8.360 nan 0.000 0.459 278 P HA 0.036 nan 4.420 nan 0.000 0.276 278 P C -0.508 176.653 177.300 -0.233 0.000 1.264 278 P CA -0.106 62.798 63.100 -0.326 0.000 0.769 278 P CB 1.119 32.659 31.700 -0.267 0.000 0.840 279 K N 1.952 122.264 120.400 -0.147 0.000 2.287 279 K HA 0.130 4.451 4.320 0.003 0.000 0.199 279 K C 0.494 177.041 176.600 -0.089 0.000 1.061 279 K CA 0.851 57.083 56.287 -0.091 0.000 0.976 279 K CB 0.289 32.776 32.500 -0.021 0.000 0.898 279 K HN 0.284 nan 8.250 nan 0.000 0.492 280 K N 0.846 121.184 120.400 -0.103 0.000 2.581 280 K HA 0.395 4.717 4.320 0.003 0.000 0.249 280 K C -1.528 174.987 176.600 -0.142 0.000 0.966 280 K CA -0.071 56.151 56.287 -0.108 0.000 0.811 280 K CB 0.970 33.414 32.500 -0.093 0.000 1.223 280 K HN -0.120 nan 8.250 nan 0.000 0.438 281 I N 3.967 124.437 120.570 -0.167 0.000 2.354 281 I HA 0.382 4.554 4.170 0.003 0.000 0.292 281 I C -0.301 175.621 176.117 -0.324 0.000 0.989 281 I CA -0.880 60.285 61.300 -0.226 0.000 1.188 281 I CB 1.699 39.606 38.000 -0.154 0.000 1.342 281 I HN 0.335 nan 8.210 nan 0.000 0.457 282 Q N 4.314 123.770 119.800 -0.574 0.000 2.330 282 Q HA 0.328 4.669 4.340 0.003 0.000 0.269 282 Q C -0.560 175.141 176.000 -0.499 0.000 1.022 282 Q CA -0.468 54.962 55.803 -0.622 0.000 0.796 282 Q CB 2.473 30.593 28.738 -1.030 0.000 1.271 282 Q HN 0.690 nan 8.270 nan 0.000 0.450 283 S N 0.920 116.459 115.700 -0.267 0.000 2.564 283 S HA 0.180 4.651 4.470 0.003 0.000 0.278 283 S C 0.936 175.468 174.600 -0.113 0.000 1.333 283 S CA 0.115 58.212 58.200 -0.173 0.000 1.048 283 S CB 0.451 63.590 63.200 -0.101 0.000 0.900 283 S HN 0.656 nan 8.310 nan 0.000 0.505 284 T N 1.948 116.460 114.554 -0.070 0.000 3.069 284 T HA 0.318 4.669 4.350 0.003 0.000 0.252 284 T C 0.522 175.212 174.700 -0.017 0.000 1.053 284 T CA -0.369 61.724 62.100 -0.010 0.000 0.964 284 T CB -0.127 68.755 68.868 0.024 0.000 1.005 284 T HN 0.571 nan 8.240 nan 0.000 0.532 285 R N 1.099 121.591 120.500 -0.014 0.000 2.585 285 R HA 0.526 4.868 4.340 0.003 0.000 0.275 285 R C 0.856 177.198 176.300 0.070 0.000 1.018 285 R CA 1.047 57.154 56.100 0.011 0.000 1.072 285 R CB 0.283 30.646 30.300 0.105 0.000 0.953 285 R HN 0.576 nan 8.270 nan 0.000 0.419 286 G N 1.304 110.103 108.800 -0.001 0.000 2.335 286 G HA2 0.183 4.144 3.960 0.003 0.000 0.291 286 G HA3 0.183 4.144 3.960 0.003 0.000 0.291 286 G C -1.516 173.418 174.900 0.056 0.000 1.261 286 G CA -0.966 44.203 45.100 0.115 0.000 0.871 286 G HN 0.239 nan 8.290 nan 0.000 0.491 287 M N 1.961 121.622 119.600 0.102 0.000 2.277 287 M HA 0.379 4.861 4.480 0.003 0.000 0.350 287 M C 0.998 177.321 176.300 0.038 0.000 1.180 287 M CA -0.615 54.735 55.300 0.084 0.000 1.103 287 M CB 0.553 33.207 32.600 0.090 0.000 1.577 287 M HN 0.826 nan 8.290 nan 0.000 0.459 288 T N 0.074 114.640 114.554 0.021 0.000 2.932 288 T HA 0.067 4.419 4.350 0.003 0.000 0.312 288 T C 1.020 175.711 174.700 -0.015 0.000 1.071 288 T CA -0.226 61.869 62.100 -0.009 0.000 1.128 288 T CB 0.182 69.022 68.868 -0.047 0.000 0.984 288 T HN 0.680 nan 8.240 nan 0.000 0.549 289 Y N 2.037 122.303 120.300 -0.056 0.000 2.293 289 Y HA -0.044 4.508 4.550 0.003 0.000 0.291 289 Y C 1.688 177.570 175.900 -0.030 0.000 1.137 289 Y CA 1.464 59.538 58.100 -0.043 0.000 1.202 289 Y CB -0.578 37.848 38.460 -0.057 0.000 0.990 289 Y HN 0.705 nan 8.280 nan 0.000 0.537 290 D N 0.084 119.818 120.400 -1.109 0.000 2.355 290 D HA -0.111 4.530 4.640 0.003 0.000 0.233 290 D C 1.441 177.520 176.300 -0.368 0.000 0.997 290 D CA 1.339 54.798 54.000 -0.902 0.000 0.920 290 D CB -0.894 39.226 40.800 -1.133 0.000 1.063 290 D HN 0.570 nan 8.370 nan 0.000 0.465 291 E N 0.175 120.209 120.200 -0.277 0.000 2.481 291 E HA 0.003 4.355 4.350 0.003 0.000 0.195 291 E C -0.145 176.406 176.600 -0.082 0.000 1.047 291 E CA -0.042 56.278 56.400 -0.135 0.000 0.867 291 E CB -0.070 29.576 29.700 -0.090 0.000 0.858 291 E HN 0.296 nan 8.360 nan 0.000 0.513 292 Q N 1.174 120.922 119.800 -0.086 0.000 2.447 292 Q HA -0.224 4.118 4.340 0.003 0.000 0.348 292 Q C -0.424 175.582 176.000 0.010 0.000 1.421 292 Q CA 0.729 56.517 55.803 -0.026 0.000 0.978 292 Q CB -1.501 27.227 28.738 -0.017 0.000 1.191 292 Q HN 0.368 nan 8.270 nan 0.000 0.371 293 E N 0.760 120.975 120.200 0.025 0.000 2.266 293 E HA 0.339 4.691 4.350 0.003 0.000 0.268 293 E C -1.140 175.528 176.600 0.113 0.000 0.879 293 E CA -0.943 55.495 56.400 0.064 0.000 0.762 293 E CB 1.142 30.865 29.700 0.039 0.000 1.199 293 E HN 0.253 nan 8.360 nan 0.000 0.422 294 Y N 3.980 124.295 120.300 0.025 0.000 2.610 294 Y HA 0.049 4.601 4.550 0.003 0.000 0.332 294 Y C -0.830 175.108 175.900 0.063 0.000 1.201 294 Y CA 0.526 58.652 58.100 0.044 0.000 1.465 294 Y CB 0.410 38.884 38.460 0.024 0.000 1.283 294 Y HN 0.477 nan 8.280 nan 0.000 0.563 295 H N 8.584 127.228 119.070 -0.709 0.000 2.658 295 H HA 0.289 4.847 4.556 0.003 0.000 0.337 295 H C -2.299 172.542 175.328 -0.813 0.000 1.009 295 H CA -2.416 53.309 56.048 -0.538 0.000 1.231 295 H CB 2.411 32.017 29.762 -0.260 0.000 1.508 295 H HN 0.492 nan 8.280 nan 0.000 0.517 296 P HA 0.084 nan 4.420 nan 0.000 0.255 296 P C 0.068 177.454 177.300 0.143 0.000 1.248 296 P CA 0.459 63.470 63.100 -0.149 0.000 0.807 296 P CB 0.659 32.402 31.700 0.073 0.000 1.150 297 E N 0.668 121.074 120.200 0.343 0.000 3.832 297 E HA 0.259 4.611 4.350 0.003 0.000 0.250 297 E C -2.708 173.975 176.600 0.139 0.000 1.215 297 E CA -1.742 54.847 56.400 0.315 0.000 1.179 297 E CB 0.919 30.853 29.700 0.390 0.000 1.270 297 E HN 0.049 nan 8.360 nan 0.000 0.405 298 P HA 0.225 nan 4.420 nan 0.000 0.274 298 P C -0.817 176.440 177.300 -0.072 0.000 1.504 298 P CA -0.326 62.674 63.100 -0.166 0.000 1.011 298 P CB 0.312 31.909 31.700 -0.172 0.000 1.366 299 R N 1.689 122.142 120.500 -0.077 0.000 2.543 299 R HA 0.273 4.615 4.340 0.003 0.000 0.277 299 R C -0.032 176.291 176.300 0.039 0.000 1.074 299 R CA -0.602 55.482 56.100 -0.028 0.000 1.076 299 R CB 0.450 30.588 30.300 -0.270 0.000 0.993 299 R HN 0.206 nan 8.270 nan 0.000 0.459 300 V N 3.143 123.142 119.914 0.141 0.000 2.530 300 V HA 0.232 4.354 4.120 0.003 0.000 0.282 300 V C 0.705 176.925 176.094 0.210 0.000 1.048 300 V CA 0.257 62.633 62.300 0.127 0.000 0.997 300 V CB 0.909 32.791 31.823 0.099 0.000 0.987 300 V HN 1.009 nan 8.190 nan 0.000 0.477 301 A N 4.816 127.712 122.820 0.127 0.000 3.658 301 A HA 0.903 5.225 4.320 0.003 0.000 0.188 301 A C 0.880 178.463 177.584 -0.002 0.000 1.601 301 A CA 0.176 52.283 52.037 0.117 0.000 1.765 301 A CB -0.443 18.613 19.000 0.094 0.000 1.546 301 A HN 1.093 nan 8.150 nan 0.000 0.555 302 A N -0.406 122.385 122.820 -0.048 0.000 2.498 302 A HA 0.500 4.822 4.320 0.003 0.000 0.239 302 A C -0.344 177.205 177.584 -0.058 0.000 1.068 302 A CA 0.370 52.387 52.037 -0.033 0.000 0.766 302 A CB -0.598 18.425 19.000 0.038 0.000 1.003 302 A HN 0.502 nan 8.150 nan 0.000 0.497 303 I N 2.418 122.927 120.570 -0.102 0.000 2.418 303 I HA 0.340 4.512 4.170 0.003 0.000 0.287 303 I C -0.890 175.140 176.117 -0.145 0.000 1.008 303 I CA -0.390 60.807 61.300 -0.172 0.000 1.104 303 I CB 1.489 39.346 38.000 -0.239 0.000 1.264 303 I HN 0.437 nan 8.210 nan 0.000 0.438 304 L N 5.072 126.178 121.223 -0.194 0.000 2.271 304 L HA 0.872 5.214 4.340 0.003 0.000 0.265 304 L C -0.039 176.832 176.870 0.002 0.000 1.013 304 L CA -0.529 54.245 54.840 -0.110 0.000 0.820 304 L CB 1.719 43.661 42.059 -0.195 0.000 1.352 304 L HN 0.647 nan 8.230 nan 0.000 0.443 305 A N 0.050 122.925 122.820 0.092 0.000 2.330 305 A HA 0.660 4.982 4.320 0.003 0.000 0.313 305 A C -0.468 177.187 177.584 0.118 0.000 1.124 305 A CA -0.458 51.663 52.037 0.140 0.000 0.774 305 A CB 1.357 20.459 19.000 0.170 0.000 1.198 305 A HN 0.512 nan 8.150 nan 0.000 0.465 306 S N 0.503 116.219 115.700 0.027 0.000 2.562 306 S HA 0.147 4.619 4.470 0.003 0.000 0.281 306 S C 0.702 175.390 174.600 0.146 0.000 1.333 306 S CA -0.105 58.144 58.200 0.081 0.000 1.052 306 S CB 0.010 63.179 63.200 -0.051 0.000 0.884 306 S HN 0.730 nan 8.310 nan 0.000 0.506 307 H N 2.963 122.065 119.070 0.053 0.000 2.575 307 H HA 0.096 4.653 4.556 0.002 0.000 0.267 307 H C 0.351 175.647 175.328 -0.054 0.000 0.966 307 H CA 0.455 56.506 56.048 0.004 0.000 1.165 307 H CB 0.372 30.137 29.762 0.004 0.000 1.433 307 H HN 0.693 nan 8.280 nan 0.000 0.544 308 Y N 0.529 120.848 120.300 0.032 0.000 2.479 308 Y HA 0.211 4.762 4.550 0.003 0.000 0.283 308 Y C 0.734 176.589 175.900 -0.074 0.000 1.109 308 Y CA 0.360 58.444 58.100 -0.027 0.000 1.239 308 Y CB 0.808 39.230 38.460 -0.063 0.000 1.108 308 Y HN -0.124 nan 8.280 nan 0.000 0.548 309 R N -0.396 120.107 120.500 0.005 0.000 2.808 309 R HA 0.316 4.658 4.340 0.003 0.000 0.272 309 R C -2.769 173.338 176.300 -0.322 0.000 0.995 309 R CA -2.114 53.902 56.100 -0.140 0.000 0.917 309 R CB 1.291 31.502 30.300 -0.148 0.000 1.217 309 R HN -0.318 nan 8.270 nan 0.000 0.471 310 P HA 0.090 nan 4.420 nan 0.000 0.235 310 P C -1.225 175.087 177.300 -1.647 0.000 1.765 310 P CA 0.344 62.755 63.100 -1.148 0.000 1.034 310 P CB 0.052 30.927 31.700 -1.375 0.000 1.984 311 E N 0.561 120.137 120.200 -1.039 0.000 2.343 311 E HA 0.507 4.859 4.350 0.003 0.000 0.270 311 E C -0.856 175.480 176.600 -0.439 0.000 0.895 311 E CA -0.797 55.161 56.400 -0.736 0.000 0.767 311 E CB 1.351 30.811 29.700 -0.400 0.000 1.248 311 E HN 0.032 nan 8.360 nan 0.000 0.440 312 F N 1.291 121.166 119.950 -0.126 0.000 2.425 312 F HA 0.454 4.982 4.527 0.002 0.000 0.331 312 F C 0.234 175.882 175.800 -0.253 0.000 1.085 312 F CA -0.678 57.238 58.000 -0.140 0.000 1.028 312 F CB 0.811 39.715 39.000 -0.160 0.000 1.177 312 F HN 0.226 nan 8.300 nan 0.000 0.487 313 I N 3.449 123.971 120.570 -0.081 0.000 2.359 313 I HA 0.354 4.526 4.170 0.003 0.000 0.284 313 I C -1.118 174.812 176.117 -0.312 0.000 1.018 313 I CA -0.601 60.530 61.300 -0.282 0.000 1.173 313 I CB 1.138 38.826 38.000 -0.520 0.000 1.326 313 I HN 0.135 nan 8.210 nan 0.000 0.462 314 V N 5.711 125.464 119.914 -0.269 0.000 2.378 314 V HA 0.329 4.451 4.120 0.003 0.000 0.288 314 V C -0.112 175.904 176.094 -0.131 0.000 1.016 314 V CA -0.808 61.342 62.300 -0.250 0.000 0.840 314 V CB 1.494 33.070 31.823 -0.411 0.000 0.994 314 V HN 0.581 nan 8.190 nan 0.000 0.431 315 N N 3.429 122.094 118.700 -0.058 0.000 2.430 315 N HA 0.343 5.085 4.740 0.003 0.000 0.265 315 N C -0.527 174.983 175.510 0.001 0.000 1.100 315 N CA -0.105 52.955 53.050 0.017 0.000 0.961 315 N CB 1.792 40.334 38.487 0.091 0.000 1.075 315 N HN 0.436 nan 8.380 nan 0.000 0.478 316 V N 3.614 123.520 119.914 -0.014 0.000 2.311 316 V HA 0.163 4.285 4.120 0.003 0.000 0.275 316 V C 1.604 177.661 176.094 -0.061 0.000 1.022 316 V CA -0.681 61.604 62.300 -0.025 0.000 0.830 316 V CB 1.252 33.060 31.823 -0.025 0.000 1.012 316 V HN 0.658 nan 8.190 nan 0.000 0.452 317 K N 3.431 123.799 120.400 -0.052 0.000 1.977 317 K HA -0.206 4.116 4.320 0.003 0.000 0.218 317 K C 1.638 178.105 176.600 -0.223 0.000 1.051 317 K CA 2.235 58.480 56.287 -0.068 0.000 0.953 317 K CB 0.176 32.677 32.500 0.002 0.000 0.727 317 K HN 0.683 nan 8.250 nan 0.000 0.445 318 E N -0.446 119.572 120.200 -0.304 0.000 2.208 318 E HA -0.095 4.257 4.350 0.003 0.000 0.193 318 E C 1.706 178.019 176.600 -0.479 0.000 0.988 318 E CA 1.641 57.733 56.400 -0.514 0.000 0.828 318 E CB 0.029 29.273 29.700 -0.761 0.000 0.763 318 E HN 0.607 nan 8.360 nan 0.000 0.478 319 T N -3.662 110.704 114.554 -0.314 0.000 3.065 319 T HA 0.236 4.588 4.350 0.003 0.000 0.252 319 T C 1.511 176.190 174.700 -0.036 0.000 1.099 319 T CA 0.191 62.199 62.100 -0.153 0.000 1.063 319 T CB 0.229 69.037 68.868 -0.099 0.000 0.948 319 T HN 0.198 nan 8.240 nan 0.000 0.506 320 G N 1.697 110.427 108.800 -0.116 0.000 2.272 320 G HA2 -0.234 3.728 3.960 0.003 0.000 0.280 320 G HA3 -0.234 3.728 3.960 0.003 0.000 0.280 320 G C -0.316 174.494 174.900 -0.151 0.000 1.067 320 G CA -0.019 45.005 45.100 -0.127 0.000 0.902 320 G HN 0.654 nan 8.290 nan 0.000 0.500 321 K N -0.511 119.834 120.400 -0.091 0.000 2.345 321 K HA 0.645 4.967 4.320 0.003 0.000 0.255 321 K C 0.113 176.677 176.600 -0.059 0.000 0.934 321 K CA -0.893 55.350 56.287 -0.073 0.000 0.801 321 K CB 1.878 34.362 32.500 -0.026 0.000 1.137 321 K HN 0.206 nan 8.250 nan 0.000 0.424 322 I N 4.651 125.186 120.570 -0.059 0.000 2.321 322 I HA 0.252 4.424 4.170 0.003 0.000 0.291 322 I C -0.448 175.636 176.117 -0.055 0.000 0.998 322 I CA -0.732 60.549 61.300 -0.032 0.000 1.227 322 I CB 0.800 38.812 38.000 0.019 0.000 1.368 322 I HN 0.319 nan 8.210 nan 0.000 0.466 323 L N 7.246 128.422 121.223 -0.078 0.000 2.282 323 L HA 0.493 4.835 4.340 0.003 0.000 0.288 323 L C -0.518 176.274 176.870 -0.130 0.000 1.033 323 L CA -0.636 54.151 54.840 -0.090 0.000 0.807 323 L CB 1.099 43.108 42.059 -0.085 0.000 1.209 323 L HN 0.436 nan 8.230 nan 0.000 0.423 324 L N 4.837 125.992 121.223 -0.113 0.000 2.264 324 L HA 0.392 4.734 4.340 0.003 0.000 0.287 324 L C -0.476 176.314 176.870 -0.133 0.000 1.039 324 L CA -0.600 54.158 54.840 -0.136 0.000 0.829 324 L CB 1.420 43.399 42.059 -0.133 0.000 1.211 324 L HN 0.326 nan 8.230 nan 0.000 0.427 325 V N 2.070 121.901 119.914 -0.138 0.000 2.333 325 V HA 0.147 4.269 4.120 0.003 0.000 0.274 325 V C 0.120 176.098 176.094 -0.194 0.000 1.028 325 V CA -0.573 61.666 62.300 -0.102 0.000 0.851 325 V CB 1.499 33.295 31.823 -0.045 0.000 1.000 325 V HN 0.599 nan 8.190 nan 0.000 0.456 326 D N 4.519 124.775 120.400 -0.241 0.000 2.325 326 D HA 0.069 4.711 4.640 0.003 0.000 0.251 326 D C 0.361 176.431 176.300 -0.383 0.000 1.196 326 D CA -0.281 53.470 54.000 -0.415 0.000 0.866 326 D CB 1.124 41.735 40.800 -0.314 0.000 1.101 326 D HN 0.655 nan 8.370 nan 0.000 0.476 327 Y N 1.197 121.225 120.300 -0.455 0.000 2.470 327 Y HA 0.140 4.692 4.550 0.003 0.000 0.284 327 Y C 1.882 177.499 175.900 -0.472 0.000 1.188 327 Y CA 0.018 57.820 58.100 -0.496 0.000 1.269 327 Y CB -0.730 37.353 38.460 -0.629 0.000 1.094 327 Y HN 0.234 nan 8.280 nan 0.000 0.518 328 T N -3.490 110.819 114.554 -0.409 0.000 3.023 328 T HA -0.032 4.320 4.350 0.003 0.000 0.266 328 T C 0.185 174.921 174.700 0.060 0.000 1.093 328 T CA 0.953 62.930 62.100 -0.205 0.000 1.129 328 T CB -0.010 68.756 68.868 -0.171 0.000 0.899 328 T HN 0.302 nan 8.240 nan 0.000 0.491 329 D N -0.052 120.338 120.400 -0.016 0.000 2.478 329 D HA 0.277 4.919 4.640 0.003 0.000 0.240 329 D C 0.514 176.805 176.300 -0.014 0.000 1.364 329 D CA -0.479 53.534 54.000 0.022 0.000 0.987 329 D CB 1.116 41.922 40.800 0.011 0.000 1.328 329 D HN 0.168 nan 8.370 nan 0.000 0.584 330 L N 1.884 123.106 121.223 -0.002 0.000 2.492 330 L HA 0.087 4.429 4.340 0.003 0.000 0.223 330 L C 1.162 178.020 176.870 -0.021 0.000 1.132 330 L CA 0.375 55.196 54.840 -0.033 0.000 0.850 330 L CB 0.200 42.228 42.059 -0.050 0.000 0.966 330 L HN 0.260 nan 8.230 nan 0.000 0.454 331 D N -0.217 120.180 120.400 -0.004 0.000 2.259 331 D HA -0.007 4.635 4.640 0.003 0.000 0.216 331 D C 0.680 176.973 176.300 -0.012 0.000 0.961 331 D CA 0.800 54.796 54.000 -0.006 0.000 0.878 331 D CB 0.122 40.925 40.800 0.005 0.000 1.009 331 D HN 0.213 nan 8.370 nan 0.000 0.490 332 N N 1.523 120.217 118.700 -0.009 0.000 3.105 332 N HA 0.145 4.887 4.740 0.003 0.000 0.256 332 N C -0.580 174.915 175.510 -0.025 0.000 1.174 332 N CA -0.233 52.808 53.050 -0.015 0.000 1.030 332 N CB 1.372 39.854 38.487 -0.009 0.000 1.305 332 N HN 0.070 nan 8.380 nan 0.000 0.509 333 L N 1.892 123.098 121.223 -0.028 0.000 2.325 333 L HA 0.165 4.507 4.340 0.003 0.000 0.284 333 L C 0.165 177.012 176.870 -0.038 0.000 1.089 333 L CA -0.034 54.785 54.840 -0.035 0.000 0.836 333 L CB 0.179 42.222 42.059 -0.027 0.000 1.184 333 L HN 0.078 nan 8.230 nan 0.000 0.444 334 K N 4.021 124.387 120.400 -0.057 0.000 2.276 334 K HA 0.433 4.755 4.320 0.003 0.000 0.285 334 K C -0.164 176.396 176.600 -0.067 0.000 1.062 334 K CA -0.288 55.961 56.287 -0.063 0.000 0.918 334 K CB 0.804 33.255 32.500 -0.082 0.000 1.055 334 K HN 0.745 nan 8.250 nan 0.000 0.477 335 T N -1.088 113.438 114.554 -0.047 0.000 2.906 335 T HA 0.409 4.761 4.350 0.003 0.000 0.295 335 T C -0.330 174.341 174.700 -0.047 0.000 1.075 335 T CA -0.802 61.272 62.100 -0.043 0.000 1.005 335 T CB 1.804 70.670 68.868 -0.003 0.000 1.136 335 T HN 0.262 nan 8.240 nan 0.000 0.498 336 T N 2.007 116.527 114.554 -0.057 0.000 2.791 336 T HA 0.411 4.763 4.350 0.003 0.000 0.288 336 T C -0.591 174.082 174.700 -0.044 0.000 0.999 336 T CA -0.604 61.464 62.100 -0.053 0.000 0.952 336 T CB 1.108 69.936 68.868 -0.067 0.000 0.938 336 T HN 0.805 nan 8.240 nan 0.000 0.444 337 E N 4.791 124.974 120.200 -0.029 0.000 1.993 337 E HA 0.283 4.635 4.350 0.003 0.000 0.271 337 E C -0.641 175.942 176.600 -0.028 0.000 1.008 337 E CA -0.460 55.928 56.400 -0.021 0.000 0.814 337 E CB 0.291 29.990 29.700 -0.002 0.000 1.098 337 E HN 0.591 nan 8.360 nan 0.000 0.407 338 I N 3.569 124.112 120.570 -0.045 0.000 2.312 338 I HA 0.075 4.247 4.170 0.003 0.000 0.291 338 I C 0.276 176.344 176.117 -0.082 0.000 1.031 338 I CA -0.414 60.849 61.300 -0.062 0.000 1.293 338 I CB 1.457 39.412 38.000 -0.075 0.000 1.403 338 I HN 0.385 nan 8.210 nan 0.000 0.484 339 S N 5.251 120.910 115.700 -0.069 0.000 2.498 339 S HA 0.378 4.850 4.470 0.003 0.000 0.281 339 S C 0.584 175.001 174.600 -0.304 0.000 1.265 339 S CA -0.202 57.934 58.200 -0.107 0.000 1.071 339 S CB 1.056 64.289 63.200 0.056 0.000 0.894 339 S HN 0.799 nan 8.310 nan 0.000 0.491 340 A N 3.596 126.076 122.820 -0.567 0.000 2.385 340 A HA 0.801 5.123 4.320 0.003 0.000 0.209 340 A C -0.172 176.887 177.584 -0.875 0.000 2.123 340 A CA -0.186 51.525 52.037 -0.545 0.000 1.674 340 A CB 0.142 18.947 19.000 -0.324 0.000 1.212 340 A HN 0.589 nan 8.150 nan 0.000 0.422 341 E N -0.122 119.693 120.200 -0.641 0.000 2.343 341 E HA 0.504 4.856 4.350 0.003 0.000 0.278 341 E C -1.084 175.390 176.600 -0.209 0.000 0.910 341 E CA -0.496 55.647 56.400 -0.429 0.000 0.757 341 E CB 1.238 30.840 29.700 -0.163 0.000 1.218 341 E HN 0.437 nan 8.360 nan 0.000 0.435 342 R N 2.264 122.746 120.500 -0.030 0.000 2.738 342 R HA 0.295 4.637 4.340 0.003 0.000 0.268 342 R C -0.299 175.839 176.300 -0.270 0.000 1.062 342 R CA 0.265 56.181 56.100 -0.307 0.000 1.158 342 R CB 0.068 30.010 30.300 -0.596 0.000 1.046 342 R HN 0.672 nan 8.270 nan 0.000 0.493 343 F N -1.511 118.452 119.950 0.021 0.000 2.999 343 F HA -0.203 4.326 4.527 0.003 0.000 0.291 343 F C -0.037 175.791 175.800 0.046 0.000 0.824 343 F CA -0.212 57.802 58.000 0.023 0.000 1.255 343 F CB -2.165 36.848 39.000 0.022 0.000 1.333 343 F HN 0.400 nan 8.300 nan 0.000 0.502 344 L N 0.487 121.763 121.223 0.089 0.000 2.540 344 L HA 0.124 4.466 4.340 0.003 0.000 0.276 344 L C 1.397 178.390 176.870 0.204 0.000 1.212 344 L CA 0.706 55.601 54.840 0.092 0.000 0.893 344 L CB 0.516 42.589 42.059 0.023 0.000 1.138 344 L HN 0.367 nan 8.230 nan 0.000 0.491 345 H N 1.227 120.350 119.070 0.089 0.000 4.643 345 H HA 0.206 4.764 4.556 0.003 0.000 0.109 345 H C -0.546 174.860 175.328 0.130 0.000 1.249 345 H CA 0.238 56.365 56.048 0.133 0.000 0.820 345 H CB 0.567 30.426 29.762 0.162 0.000 1.474 345 H HN 0.722 nan 8.280 nan 0.000 0.233 346 D N -0.091 120.324 120.400 0.026 0.000 2.442 346 D HA 0.566 5.207 4.640 0.003 0.000 0.254 346 D C 0.320 176.654 176.300 0.058 0.000 1.069 346 D CA -0.351 53.639 54.000 -0.017 0.000 1.017 346 D CB 1.960 42.716 40.800 -0.072 0.000 1.172 346 D HN 0.701 nan 8.370 nan 0.000 0.561 347 G N -2.545 106.342 108.800 0.145 0.000 2.322 347 G HA2 0.597 4.559 3.960 0.003 0.000 0.295 347 G HA3 0.597 4.559 3.960 0.003 0.000 0.295 347 G C -1.197 173.910 174.900 0.345 0.000 1.369 347 G CA -0.348 44.840 45.100 0.148 0.000 0.821 347 G HN 0.838 nan 8.290 nan 0.000 0.536 348 G N -1.455 107.556 108.800 0.352 0.000 2.682 348 G HA2 0.668 4.630 3.960 0.003 0.000 0.290 348 G HA3 0.668 4.630 3.960 0.003 0.000 0.290 348 G C -1.013 174.181 174.900 0.491 0.000 1.425 348 G CA -0.891 44.526 45.100 0.528 0.000 0.807 348 G HN 0.699 nan 8.290 nan 0.000 0.482 349 L N 1.351 122.937 121.223 0.605 0.000 2.399 349 L HA 0.305 4.647 4.340 0.003 0.000 0.266 349 L C 0.806 177.810 176.870 0.224 0.000 1.114 349 L CA -1.025 54.011 54.840 0.326 0.000 0.804 349 L CB 0.967 43.175 42.059 0.247 0.000 1.146 349 L HN 0.765 nan 8.230 nan 0.000 0.451 350 D N 1.360 121.819 120.400 0.099 0.000 2.346 350 D HA -0.028 4.614 4.640 0.003 0.000 0.249 350 D C 1.132 177.369 176.300 -0.106 0.000 1.308 350 D CA 0.056 54.115 54.000 0.099 0.000 0.987 350 D CB 0.754 41.661 40.800 0.177 0.000 1.114 350 D HN 0.613 nan 8.370 nan 0.000 0.529 351 G N -0.847 107.903 108.800 -0.084 0.000 2.432 351 G HA2 -0.259 3.703 3.960 0.003 0.000 0.219 351 G HA3 -0.259 3.703 3.960 0.003 0.000 0.219 351 G C 1.527 176.220 174.900 -0.345 0.000 1.135 351 G CA 1.258 46.218 45.100 -0.234 0.000 0.767 351 G HN 0.588 nan 8.290 nan 0.000 0.550 352 S N -0.822 114.795 115.700 -0.137 0.000 2.527 352 S HA 0.010 4.482 4.470 0.003 0.000 0.222 352 S C 1.163 175.797 174.600 0.057 0.000 0.985 352 S CA 0.794 58.992 58.200 -0.003 0.000 0.921 352 S CB -0.346 62.932 63.200 0.130 0.000 0.772 352 S HN 0.578 nan 8.310 nan 0.000 0.529 353 H N -0.098 118.976 119.070 0.007 0.000 2.992 353 H HA -0.134 4.424 4.556 0.002 0.000 0.266 353 H C 1.174 176.507 175.328 0.009 0.000 1.200 353 H CA 1.217 57.195 56.048 -0.116 0.000 1.135 353 H CB -1.502 27.996 29.762 -0.440 0.000 1.282 353 H HN 0.614 nan 8.280 nan 0.000 0.351 354 R N -0.151 120.332 120.500 -0.028 0.000 2.146 354 R HA 0.070 4.412 4.340 0.003 0.000 0.206 354 R C -0.102 175.814 176.300 -0.641 0.000 1.049 354 R CA 0.504 56.235 56.100 -0.615 0.000 1.029 354 R CB 0.622 30.311 30.300 -1.017 0.000 0.949 354 R HN 0.056 nan 8.270 nan 0.000 0.471 355 Y N -0.139 120.115 120.300 -0.076 0.000 2.341 355 Y HA 0.280 4.831 4.550 0.003 0.000 0.337 355 Y C -0.718 175.153 175.900 -0.048 0.000 1.014 355 Y CA -1.316 56.723 58.100 -0.102 0.000 1.111 355 Y CB 1.196 39.605 38.460 -0.085 0.000 1.194 355 Y HN -0.081 nan 8.280 nan 0.000 0.462 356 F N 5.228 125.108 119.950 -0.117 0.000 2.405 356 F HA 0.595 5.123 4.527 0.002 0.000 0.355 356 F C -0.879 174.760 175.800 -0.269 0.000 1.121 356 F CA -1.617 56.294 58.000 -0.148 0.000 1.112 356 F CB 0.190 39.120 39.000 -0.117 0.000 1.126 356 F HN 0.337 nan 8.300 nan 0.000 0.481 357 I N 6.098 126.201 120.570 -0.778 0.000 2.382 357 I HA 0.299 4.471 4.170 0.003 0.000 0.285 357 I C -0.137 175.314 176.117 -1.109 0.000 1.007 357 I CA -0.378 60.312 61.300 -1.018 0.000 1.142 357 I CB 1.668 38.851 38.000 -1.361 0.000 1.289 357 I HN 0.574 nan 8.210 nan 0.000 0.453 358 T N 4.680 118.669 114.554 -0.942 0.000 2.900 358 T HA 0.735 5.087 4.350 0.003 0.000 0.295 358 T C -0.747 173.773 174.700 -0.300 0.000 1.044 358 T CA -0.517 61.191 62.100 -0.653 0.000 0.995 358 T CB 1.516 69.869 68.868 -0.860 0.000 1.072 358 T HN 0.592 nan 8.240 nan 0.000 0.473 359 A N 2.681 125.435 122.820 -0.109 0.000 2.309 359 A HA 0.696 5.017 4.320 0.003 0.000 0.290 359 A C 0.610 178.209 177.584 0.025 0.000 1.206 359 A CA -0.343 51.683 52.037 -0.018 0.000 0.850 359 A CB -0.015 19.003 19.000 0.030 0.000 1.118 359 A HN 1.151 nan 8.150 nan 0.000 0.523 360 A N 3.712 126.543 122.820 0.019 0.000 2.923 360 A HA 0.342 4.664 4.320 0.003 0.000 0.306 360 A C 1.160 178.820 177.584 0.127 0.000 1.542 360 A CA -0.247 51.842 52.037 0.086 0.000 1.225 360 A CB -0.820 18.208 19.000 0.046 0.000 1.147 360 A HN 1.003 nan 8.150 nan 0.000 0.542 361 N N 2.689 121.470 118.700 0.136 0.000 2.061 361 N HA -0.254 4.488 4.740 0.003 0.000 0.193 361 N C 1.443 176.994 175.510 0.070 0.000 1.030 361 N CA 2.225 55.331 53.050 0.092 0.000 0.856 361 N CB -0.611 37.920 38.487 0.074 0.000 1.023 361 N HN 0.495 nan 8.380 nan 0.000 0.424 362 A N -0.017 122.836 122.820 0.055 0.000 2.070 362 A HA 0.002 4.324 4.320 0.003 0.000 0.220 362 A C 2.013 179.610 177.584 0.023 0.000 1.159 362 A CA 0.933 52.929 52.037 -0.068 0.000 0.656 362 A CB -0.383 18.357 19.000 -0.433 0.000 0.800 362 A HN 0.391 nan 8.150 nan 0.000 0.453 363 R N -0.939 119.636 120.500 0.125 0.000 2.393 363 R HA 0.095 4.437 4.340 0.003 0.000 0.244 363 R C -0.312 176.039 176.300 0.084 0.000 0.920 363 R CA 0.036 56.209 56.100 0.122 0.000 1.076 363 R CB 0.178 30.587 30.300 0.182 0.000 1.119 363 R HN 0.424 nan 8.270 nan 0.000 0.524 364 N N 1.583 120.331 118.700 0.079 0.000 2.725 364 N HA -0.162 4.579 4.740 0.003 0.000 0.249 364 N C -0.942 174.614 175.510 0.076 0.000 1.103 364 N CA 1.346 54.447 53.050 0.085 0.000 0.707 364 N CB -0.596 37.932 38.487 0.069 0.000 1.043 364 N HN 0.197 nan 8.380 nan 0.000 0.553 365 K N 0.210 120.645 120.400 0.058 0.000 2.281 365 K HA 0.577 4.899 4.320 0.003 0.000 0.242 365 K C 0.374 176.971 176.600 -0.005 0.000 0.971 365 K CA -0.621 55.681 56.287 0.025 0.000 0.834 365 K CB 1.760 34.263 32.500 0.005 0.000 1.181 365 K HN 0.031 nan 8.250 nan 0.000 0.435 366 L N 1.782 122.983 121.223 -0.037 0.000 2.298 366 L HA 0.371 4.713 4.340 0.003 0.000 0.284 366 L C -0.455 176.303 176.870 -0.186 0.000 1.013 366 L CA -1.143 53.633 54.840 -0.105 0.000 0.824 366 L CB 1.725 43.737 42.059 -0.078 0.000 1.221 366 L HN 0.128 nan 8.230 nan 0.000 0.418 367 V N 4.403 124.164 119.914 -0.256 0.000 2.465 367 V HA 0.354 4.476 4.120 0.003 0.000 0.279 367 V C 0.131 175.971 176.094 -0.423 0.000 1.045 367 V CA -0.546 61.575 62.300 -0.298 0.000 0.938 367 V CB 1.974 33.634 31.823 -0.272 0.000 0.986 367 V HN 0.402 nan 8.190 nan 0.000 0.467 368 V N 5.972 125.623 119.914 -0.438 0.000 2.448 368 V HA 0.510 4.632 4.120 0.003 0.000 0.295 368 V C -0.371 175.457 176.094 -0.443 0.000 1.025 368 V CA -0.538 61.415 62.300 -0.578 0.000 0.859 368 V CB 1.678 32.938 31.823 -0.937 0.000 0.988 368 V HN 0.562 nan 8.190 nan 0.000 0.431 369 I N 3.282 123.673 120.570 -0.298 0.000 2.474 369 I HA 0.417 4.589 4.170 0.003 0.000 0.294 369 I C -0.228 175.833 176.117 -0.093 0.000 1.005 369 I CA -0.661 60.548 61.300 -0.151 0.000 1.113 369 I CB 1.860 39.856 38.000 -0.007 0.000 1.289 369 I HN 0.598 nan 8.210 nan 0.000 0.436 370 D N 3.842 124.186 120.400 -0.093 0.000 2.380 370 D HA 0.103 4.744 4.640 0.003 0.000 0.230 370 D C 1.279 177.431 176.300 -0.247 0.000 1.154 370 D CA -0.129 53.768 54.000 -0.171 0.000 0.859 370 D CB 1.124 41.885 40.800 -0.064 0.000 1.045 370 D HN 0.687 nan 8.370 nan 0.000 0.495 371 T N 1.111 115.470 114.554 -0.324 0.000 3.035 371 T HA -0.113 4.238 4.350 0.003 0.000 0.268 371 T C 1.547 176.103 174.700 -0.239 0.000 1.109 371 T CA 0.816 62.774 62.100 -0.237 0.000 1.119 371 T CB 0.081 68.847 68.868 -0.170 0.000 0.900 371 T HN 0.365 nan 8.240 nan 0.000 0.503 372 K N 0.556 120.730 120.400 -0.377 0.000 2.076 372 K HA -0.002 4.320 4.320 0.003 0.000 0.204 372 K C 1.991 178.514 176.600 -0.128 0.000 1.051 372 K CA 0.931 57.078 56.287 -0.233 0.000 0.949 372 K CB 0.161 32.454 32.500 -0.345 0.000 0.726 372 K HN 0.200 nan 8.250 nan 0.000 0.443 373 E N -0.451 119.663 120.200 -0.144 0.000 2.447 373 E HA 0.050 4.402 4.350 0.003 0.000 0.195 373 E C 0.523 177.073 176.600 -0.083 0.000 1.028 373 E CA 0.709 57.058 56.400 -0.086 0.000 0.876 373 E CB 0.732 30.395 29.700 -0.062 0.000 0.885 373 E HN 0.541 nan 8.360 nan 0.000 0.500 374 G N 2.772 111.510 108.800 -0.104 0.000 2.298 374 G HA2 -0.293 3.669 3.960 0.003 0.000 0.287 374 G HA3 -0.293 3.669 3.960 0.003 0.000 0.287 374 G C -0.043 174.808 174.900 -0.082 0.000 1.075 374 G CA 0.953 45.996 45.100 -0.095 0.000 0.960 374 G HN 0.324 nan 8.290 nan 0.000 0.502 375 K N -1.298 119.051 120.400 -0.086 0.000 2.556 375 K HA 0.742 5.064 4.320 0.003 0.000 0.274 375 K C -0.440 176.100 176.600 -0.100 0.000 0.966 375 K CA -1.482 54.757 56.287 -0.080 0.000 0.865 375 K CB 1.689 34.150 32.500 -0.064 0.000 1.444 375 K HN 0.544 nan 8.250 nan 0.000 0.433 376 L N 2.099 123.258 121.223 -0.107 0.000 2.453 376 L HA 0.071 4.413 4.340 0.003 0.000 0.272 376 L C 0.118 176.892 176.870 -0.160 0.000 1.182 376 L CA 0.470 55.222 54.840 -0.146 0.000 0.858 376 L CB 1.222 43.199 42.059 -0.138 0.000 1.120 376 L HN 0.696 nan 8.230 nan 0.000 0.474 377 V N 4.177 123.942 119.914 -0.248 0.000 3.307 377 V HA 0.585 4.707 4.120 0.003 0.000 0.244 377 V C 0.541 176.453 176.094 -0.302 0.000 1.196 377 V CA 0.659 62.783 62.300 -0.293 0.000 1.132 377 V CB 0.016 31.541 31.823 -0.496 0.000 0.875 377 V HN 0.962 nan 8.190 nan 0.000 0.468 378 A N -0.143 122.472 122.820 -0.342 0.000 2.599 378 A HA 0.787 5.109 4.320 0.003 0.000 0.294 378 A C -1.674 175.783 177.584 -0.213 0.000 1.055 378 A CA -0.343 51.551 52.037 -0.238 0.000 0.683 378 A CB 1.365 20.229 19.000 -0.228 0.000 1.278 378 A HN 0.110 nan 8.150 nan 0.000 0.412 379 I N 1.453 121.944 120.570 -0.132 0.000 2.500 379 I HA 0.466 4.638 4.170 0.003 0.000 0.286 379 I C -1.050 175.032 176.117 -0.060 0.000 1.063 379 I CA -0.424 60.809 61.300 -0.111 0.000 1.062 379 I CB 2.009 39.949 38.000 -0.100 0.000 1.223 379 I HN 0.531 nan 8.210 nan 0.000 0.435 380 E N 4.351 124.521 120.200 -0.049 0.000 2.292 380 E HA 0.263 4.614 4.350 0.003 0.000 0.272 380 E C -1.415 175.185 176.600 0.000 0.000 0.881 380 E CA -0.666 55.724 56.400 -0.016 0.000 0.754 380 E CB 3.038 32.736 29.700 -0.004 0.000 1.201 380 E HN 0.477 nan 8.360 nan 0.000 0.425 381 D N 1.352 121.759 120.400 0.011 0.000 2.308 381 D HA 0.030 4.671 4.640 0.003 0.000 0.251 381 D C 1.004 177.326 176.300 0.036 0.000 1.127 381 D CA 0.123 54.139 54.000 0.027 0.000 0.876 381 D CB 1.205 42.018 40.800 0.021 0.000 1.176 381 D HN 0.436 nan 8.370 nan 0.000 0.446 382 T N 0.757 115.355 114.554 0.073 0.000 3.055 382 T HA 0.134 4.486 4.350 0.003 0.000 0.265 382 T C 1.513 176.234 174.700 0.036 0.000 1.111 382 T CA 0.779 62.941 62.100 0.102 0.000 1.118 382 T CB 0.011 69.047 68.868 0.279 0.000 0.909 382 T HN 0.666 nan 8.240 nan 0.000 0.501 383 G N 0.360 109.162 108.800 0.004 0.000 2.176 383 G HA2 -0.041 3.921 3.960 0.003 0.000 0.253 383 G HA3 -0.041 3.921 3.960 0.003 0.000 0.253 383 G C 0.372 175.196 174.900 -0.128 0.000 0.979 383 G CA -0.052 45.021 45.100 -0.046 0.000 0.641 383 G HN 1.086 nan 8.290 nan 0.000 0.530 384 G N -1.291 107.381 108.800 -0.213 0.000 2.667 384 G HA2 0.614 4.576 3.960 0.003 0.000 0.310 384 G HA3 0.614 4.576 3.960 0.003 0.000 0.310 384 G C -0.620 174.158 174.900 -0.205 0.000 1.259 384 G CA -0.446 44.340 45.100 -0.524 0.000 1.019 384 G HN 0.207 nan 8.290 nan 0.000 0.496 385 Q N 0.820 120.527 119.800 -0.156 0.000 2.372 385 Q HA 0.389 4.731 4.340 0.003 0.000 0.259 385 Q C -0.528 175.562 176.000 0.150 0.000 0.993 385 Q CA -0.182 55.631 55.803 0.016 0.000 0.854 385 Q CB 1.163 29.889 28.738 -0.021 0.000 1.231 385 Q HN 0.718 nan 8.270 nan 0.000 0.462 386 T N 2.380 117.028 114.554 0.157 0.000 3.389 386 T HA -0.087 4.265 4.350 0.003 0.000 0.422 386 T C -2.462 172.313 174.700 0.124 0.000 0.767 386 T CA -0.293 61.875 62.100 0.115 0.000 2.199 386 T CB -1.113 67.781 68.868 0.043 0.000 1.700 386 T HN 0.448 nan 8.240 nan 0.000 0.698 387 P HA 0.094 nan 4.420 nan 0.000 0.267 387 P C -0.261 176.969 177.300 -0.116 0.000 1.205 387 P CA 0.320 63.249 63.100 -0.285 0.000 0.765 387 P CB 0.482 32.030 31.700 -0.252 0.000 0.828 388 H N 6.242 125.153 119.070 -0.265 0.000 2.607 388 H HA 0.223 4.780 4.556 0.003 0.000 0.248 388 H C -2.065 173.128 175.328 -0.225 0.000 1.355 388 H CA -2.024 53.894 56.048 -0.216 0.000 1.524 388 H CB 1.540 31.099 29.762 -0.339 0.000 1.563 388 H HN 0.214 nan 8.280 nan 0.000 0.509 389 P HA 0.044 nan 4.420 nan 0.000 0.227 389 P C 1.096 178.348 177.300 -0.080 0.000 1.161 389 P CA 1.465 64.457 63.100 -0.179 0.000 0.788 389 P CB 1.016 32.710 31.700 -0.009 0.000 0.822 390 G N 1.761 110.465 108.800 -0.159 0.000 2.591 390 G HA2 -0.365 3.596 3.960 0.003 0.000 0.298 390 G HA3 -0.365 3.596 3.960 0.003 0.000 0.298 390 G C 1.029 176.003 174.900 0.125 0.000 1.195 390 G CA 0.585 45.802 45.100 0.194 0.000 0.989 390 G HN 0.288 nan 8.290 nan 0.000 0.551 391 R N 1.685 122.222 120.500 0.063 0.000 2.297 391 R HA 0.432 4.774 4.340 0.003 0.000 0.197 391 R C 1.499 177.824 176.300 0.042 0.000 0.943 391 R CA 1.128 57.147 56.100 -0.134 0.000 1.038 391 R CB -0.107 29.742 30.300 -0.751 0.000 0.957 391 R HN 2.016 nan 8.270 nan 0.000 0.484 392 G N 0.426 109.218 108.800 -0.014 0.000 2.725 392 G HA2 -0.066 3.896 3.960 0.003 0.000 0.220 392 G HA3 -0.066 3.896 3.960 0.003 0.000 0.220 392 G C -1.052 173.743 174.900 -0.176 0.000 1.357 392 G CA -0.518 44.362 45.100 -0.367 0.000 0.866 392 G HN 0.377 nan 8.290 nan 0.000 0.548 393 A N 0.167 122.744 122.820 -0.404 0.000 2.385 393 A HA 0.727 5.048 4.320 0.003 0.000 0.290 393 A C -0.271 177.391 177.584 0.130 0.000 1.094 393 A CA -0.522 51.547 52.037 0.053 0.000 0.729 393 A CB 0.969 20.063 19.000 0.156 0.000 1.194 393 A HN 0.782 nan 8.150 nan 0.000 0.442 394 N N 1.943 120.811 118.700 0.279 0.000 2.438 394 N HA 0.756 5.498 4.740 0.003 0.000 0.282 394 N C -0.884 174.813 175.510 0.311 0.000 1.037 394 N CA 0.301 53.498 53.050 0.246 0.000 0.942 394 N CB 1.446 40.050 38.487 0.196 0.000 1.136 394 N HN 0.660 nan 8.380 nan 0.000 0.481 395 F N -2.032 117.978 119.950 0.099 0.000 2.741 395 F HA 0.512 5.041 4.527 0.004 0.000 0.313 395 F C -1.219 174.626 175.800 0.075 0.000 1.153 395 F CA -1.223 56.822 58.000 0.075 0.000 0.931 395 F CB 0.644 39.696 39.000 0.088 0.000 1.335 395 F HN -0.016 nan 8.300 nan 0.000 0.460 396 V N 2.516 122.599 119.914 0.282 0.000 2.320 396 V HA 0.196 4.318 4.120 0.003 0.000 0.265 396 V C 0.002 176.262 176.094 0.277 0.000 1.048 396 V CA -0.402 61.989 62.300 0.151 0.000 0.865 396 V CB 0.058 31.943 31.823 0.102 0.000 1.043 396 V HN 0.827 nan 8.190 nan 0.000 0.474 397 H N 7.959 127.084 119.070 0.091 0.000 2.803 397 H HA 0.151 4.710 4.556 0.004 0.000 0.330 397 H C -1.781 173.579 175.328 0.053 0.000 1.057 397 H CA -1.587 54.571 56.048 0.183 0.000 1.458 397 H CB 2.032 31.881 29.762 0.145 0.000 1.470 397 H HN 0.328 nan 8.280 nan 0.000 0.560 398 P HA -0.120 nan 4.420 nan 0.000 0.217 398 P C 0.926 178.246 177.300 0.033 0.000 1.148 398 P CA 1.611 64.686 63.100 -0.041 0.000 0.828 398 P CB 0.449 32.061 31.700 -0.146 0.000 0.783 399 T N -2.454 112.172 114.554 0.121 0.000 3.045 399 T HA 0.115 4.467 4.350 0.003 0.000 0.239 399 T C 1.120 175.813 174.700 -0.012 0.000 1.008 399 T CA 0.503 62.580 62.100 -0.038 0.000 1.143 399 T CB -0.495 68.189 68.868 -0.308 0.000 0.894 399 T HN -0.092 nan 8.240 nan 0.000 0.451 400 F N 1.863 121.869 119.950 0.094 0.000 2.456 400 F HA 0.388 4.916 4.527 0.003 0.000 0.298 400 F C 1.922 177.501 175.800 -0.368 0.000 1.104 400 F CA 0.165 58.055 58.000 -0.183 0.000 1.435 400 F CB -0.963 37.778 39.000 -0.432 0.000 1.078 400 F HN 0.374 nan 8.300 nan 0.000 0.546 401 G N -0.245 108.457 108.800 -0.163 0.000 2.568 401 G HA2 -0.195 3.766 3.960 0.003 0.000 0.222 401 G HA3 -0.195 3.766 3.960 0.003 0.000 0.222 401 G C -2.801 171.928 174.900 -0.285 0.000 1.321 401 G CA -1.210 43.594 45.100 -0.494 0.000 0.893 401 G HN -0.027 nan 8.290 nan 0.000 0.569 402 P HA 0.393 nan 4.420 nan 0.000 0.260 402 P C 0.231 177.385 177.300 -0.243 0.000 1.185 402 P CA 0.685 63.670 63.100 -0.193 0.000 0.763 402 P CB 0.810 32.433 31.700 -0.129 0.000 0.776 403 V N 1.390 121.137 119.914 -0.279 0.000 3.040 403 V HA 0.727 4.849 4.120 0.003 0.000 0.312 403 V C -1.583 174.420 176.094 -0.151 0.000 1.115 403 V CA -1.301 60.831 62.300 -0.281 0.000 0.998 403 V CB 2.459 34.044 31.823 -0.395 0.000 1.042 403 V HN 0.549 nan 8.190 nan 0.000 0.433 404 W N 2.314 123.491 121.300 -0.205 0.000 2.702 404 W HA 0.856 5.518 4.660 0.003 0.000 0.331 404 W C -0.340 176.159 176.519 -0.033 0.000 1.049 404 W CA -0.225 57.083 57.345 -0.062 0.000 1.230 404 W CB 1.833 31.309 29.460 0.027 0.000 1.408 404 W HN 1.036 nan 8.180 nan 0.000 0.492 405 A N 3.561 126.179 122.820 -0.336 0.000 2.356 405 A HA 0.789 5.111 4.320 0.003 0.000 0.323 405 A C -0.956 176.140 177.584 -0.813 0.000 1.119 405 A CA -0.540 51.298 52.037 -0.331 0.000 0.790 405 A CB 1.913 20.930 19.000 0.028 0.000 1.273 405 A HN 0.509 nan 8.150 nan 0.000 0.452 406 T N 0.043 114.301 114.554 -0.493 0.000 2.909 406 T HA 0.651 5.003 4.350 0.003 0.000 0.299 406 T C 0.068 174.596 174.700 -0.286 0.000 1.073 406 T CA 0.181 62.005 62.100 -0.460 0.000 0.999 406 T CB 1.097 69.737 68.868 -0.380 0.000 1.098 406 T HN 1.422 nan 8.240 nan 0.000 0.477 407 S N 2.608 118.167 115.700 -0.235 0.000 2.745 407 S HA 0.774 5.245 4.470 0.003 0.000 0.292 407 S C -0.912 173.529 174.600 -0.265 0.000 1.127 407 S CA -0.581 57.544 58.200 -0.125 0.000 1.007 407 S CB 0.758 63.944 63.200 -0.024 0.000 1.165 407 S HN 0.831 nan 8.310 nan 0.000 0.544 408 H N -0.943 118.094 119.070 -0.056 0.000 2.768 408 H HA 0.484 5.041 4.556 0.003 0.000 0.371 408 H C 0.390 175.681 175.328 -0.063 0.000 1.151 408 H CA -0.745 55.277 56.048 -0.044 0.000 1.165 408 H CB 1.468 31.204 29.762 -0.043 0.000 1.722 408 H HN 0.495 nan 8.280 nan 0.000 0.543 409 M N 0.766 120.385 119.600 0.033 0.000 2.334 409 M HA 0.054 4.535 4.480 0.003 0.000 0.266 409 M C 1.941 178.238 176.300 -0.006 0.000 1.082 409 M CA 1.459 56.731 55.300 -0.045 0.000 1.141 409 M CB 0.184 32.715 32.600 -0.116 0.000 1.380 409 M HN 0.860 nan 8.290 nan 0.000 0.440 410 G N 0.437 109.256 108.800 0.032 0.000 2.777 410 G HA2 -0.016 3.946 3.960 0.003 0.000 0.211 410 G HA3 -0.016 3.946 3.960 0.003 0.000 0.211 410 G C -0.095 174.801 174.900 -0.007 0.000 1.149 410 G CA 0.411 45.515 45.100 0.007 0.000 0.785 410 G HN 0.544 nan 8.290 nan 0.000 0.536 411 D N -1.716 118.684 120.400 -0.000 0.000 2.759 411 D HA 0.212 4.854 4.640 0.003 0.000 0.321 411 D C -0.337 175.959 176.300 -0.007 0.000 1.267 411 D CA -0.453 53.529 54.000 -0.030 0.000 0.933 411 D CB 0.164 40.915 40.800 -0.082 0.000 1.431 411 D HN -0.045 nan 8.370 nan 0.000 0.504 412 D N -1.085 119.309 120.400 -0.010 0.000 2.325 412 D HA 0.105 4.747 4.640 0.003 0.000 0.225 412 D C -0.003 176.308 176.300 0.018 0.000 1.096 412 D CA -0.223 53.787 54.000 0.016 0.000 0.844 412 D CB -0.470 40.354 40.800 0.039 0.000 0.925 412 D HN 0.380 nan 8.370 nan 0.000 0.513 413 S N -0.590 115.087 115.700 -0.038 0.000 2.586 413 S HA 0.516 4.988 4.470 0.003 0.000 0.274 413 S C -0.095 174.510 174.600 0.008 0.000 1.281 413 S CA -0.810 57.339 58.200 -0.084 0.000 1.035 413 S CB 1.812 64.870 63.200 -0.236 0.000 0.962 413 S HN -0.022 nan 8.310 nan 0.000 0.512 414 V N 2.126 121.895 119.914 -0.241 0.000 2.448 414 V HA 0.756 4.878 4.120 0.003 0.000 0.295 414 V C 0.285 176.087 176.094 -0.487 0.000 1.025 414 V CA -0.510 61.559 62.300 -0.385 0.000 0.859 414 V CB 0.997 32.376 31.823 -0.739 0.000 0.988 414 V HN 1.204 nan 8.190 nan 0.000 0.431 415 A N 6.124 128.835 122.820 -0.182 0.000 2.337 415 A HA 0.928 5.250 4.320 0.003 0.000 0.329 415 A C -0.921 176.619 177.584 -0.075 0.000 1.146 415 A CA -0.595 51.380 52.037 -0.104 0.000 0.800 415 A CB 1.028 20.079 19.000 0.085 0.000 1.220 415 A HN 0.788 nan 8.150 nan 0.000 0.472 416 L N 2.656 123.849 121.223 -0.049 0.000 2.322 416 L HA 0.615 4.957 4.340 0.003 0.000 0.281 416 L C -0.507 176.337 176.870 -0.044 0.000 1.014 416 L CA -0.395 54.435 54.840 -0.017 0.000 0.815 416 L CB 1.647 43.711 42.059 0.008 0.000 1.247 416 L HN 0.718 nan 8.230 nan 0.000 0.421 417 I N 1.137 121.724 120.570 0.028 0.000 2.509 417 I HA 0.545 4.717 4.170 0.003 0.000 0.293 417 I C 0.474 176.523 176.117 -0.113 0.000 1.020 417 I CA -0.397 60.897 61.300 -0.009 0.000 1.088 417 I CB 1.893 39.967 38.000 0.123 0.000 1.267 417 I HN 0.659 nan 8.210 nan 0.000 0.430 418 G N 3.206 111.852 108.800 -0.257 0.000 2.365 418 G HA2 0.305 4.266 3.960 0.003 0.000 0.249 418 G HA3 0.305 4.266 3.960 0.003 0.000 0.249 418 G C 0.475 174.993 174.900 -0.636 0.000 1.288 418 G CA 0.164 45.026 45.100 -0.398 0.000 0.887 418 G HN 0.741 nan 8.290 nan 0.000 0.524 419 T N -1.154 113.046 114.554 -0.590 0.000 3.252 419 T HA 0.234 4.586 4.350 0.003 0.000 0.286 419 T C -0.125 174.178 174.700 -0.661 0.000 1.013 419 T CA -0.382 61.255 62.100 -0.772 0.000 0.914 419 T CB 0.549 69.301 68.868 -0.192 0.000 1.131 419 T HN 0.366 nan 8.240 nan 0.000 0.529 420 D N 1.681 121.718 120.400 -0.603 0.000 2.400 420 D HA 0.378 5.020 4.640 0.003 0.000 0.272 420 D C -1.978 174.152 176.300 -0.283 0.000 1.220 420 D CA -2.385 51.440 54.000 -0.291 0.000 0.897 420 D CB 1.853 42.609 40.800 -0.072 0.000 1.134 420 D HN -0.037 nan 8.370 nan 0.000 0.507 421 P HA -0.096 nan 4.420 nan 0.000 0.218 421 P C 1.086 178.342 177.300 -0.073 0.000 1.149 421 P CA 0.832 63.806 63.100 -0.211 0.000 0.817 421 P CB 0.695 32.349 31.700 -0.078 0.000 0.785 422 E N -0.485 119.704 120.200 -0.019 0.000 2.051 422 E HA -0.003 4.349 4.350 0.003 0.000 0.189 422 E C 2.212 178.796 176.600 -0.025 0.000 0.979 422 E CA 1.507 57.909 56.400 0.003 0.000 0.803 422 E CB -1.147 28.578 29.700 0.040 0.000 0.761 422 E HN 0.149 nan 8.360 nan 0.000 0.451 423 G N -1.825 106.966 108.800 -0.016 0.000 2.539 423 G HA2 -0.089 3.873 3.960 0.003 0.000 0.215 423 G HA3 -0.089 3.873 3.960 0.003 0.000 0.215 423 G C 0.040 174.781 174.900 -0.266 0.000 1.141 423 G CA 0.221 45.272 45.100 -0.081 0.000 0.806 423 G HN 0.221 nan 8.290 nan 0.000 0.533 424 H N -0.119 118.895 119.070 -0.094 0.000 2.511 424 H HA 0.251 4.809 4.556 0.003 0.000 0.228 424 H C -1.630 173.606 175.328 -0.154 0.000 1.424 424 H CA -1.249 54.736 56.048 -0.104 0.000 1.321 424 H CB 1.804 31.500 29.762 -0.110 0.000 1.720 424 H HN 0.102 nan 8.280 nan 0.000 0.512 425 P HA -0.175 nan 4.420 nan 0.000 0.216 425 P C 0.660 177.905 177.300 -0.092 0.000 1.150 425 P CA 1.216 64.261 63.100 -0.091 0.000 0.837 425 P CB 0.656 32.319 31.700 -0.061 0.000 0.786 426 D N -0.728 119.637 120.400 -0.058 0.000 2.264 426 D HA -0.082 4.560 4.640 0.003 0.000 0.208 426 D C 1.450 177.700 176.300 -0.082 0.000 0.966 426 D CA 0.824 54.793 54.000 -0.051 0.000 0.864 426 D CB -0.505 40.283 40.800 -0.021 0.000 0.933 426 D HN 0.173 nan 8.370 nan 0.000 0.499 427 N N 0.118 118.755 118.700 -0.105 0.000 2.325 427 N HA 0.107 4.849 4.740 0.003 0.000 0.182 427 N C 0.237 175.563 175.510 -0.307 0.000 1.088 427 N CA 0.010 52.949 53.050 -0.185 0.000 0.879 427 N CB 0.206 38.596 38.487 -0.161 0.000 0.983 427 N HN -0.010 nan 8.380 nan 0.000 0.471 428 A N 0.361 122.948 122.820 -0.387 0.000 2.524 428 A HA 0.132 4.453 4.320 0.003 0.000 0.250 428 A C -0.090 177.121 177.584 -0.622 0.000 1.078 428 A CA -0.111 51.458 52.037 -0.780 0.000 0.761 428 A CB -0.744 17.703 19.000 -0.922 0.000 1.012 428 A HN 0.513 nan 8.150 nan 0.000 0.500 429 W N 0.490 121.672 121.300 -0.197 0.000 4.551 429 W HA -0.196 4.465 4.660 0.003 0.000 0.343 429 W C 0.217 176.645 176.519 -0.151 0.000 1.269 429 W CA 0.610 57.841 57.345 -0.190 0.000 0.799 429 W CB -1.261 28.079 29.460 -0.200 0.000 2.352 429 W HN 0.550 nan 8.180 nan 0.000 1.462 430 K N 0.734 121.103 120.400 -0.052 0.000 2.203 430 K HA 0.438 4.760 4.320 0.003 0.000 0.251 430 K C 0.216 176.747 176.600 -0.115 0.000 0.944 430 K CA -1.112 55.131 56.287 -0.074 0.000 0.829 430 K CB 1.457 33.886 32.500 -0.118 0.000 1.125 430 K HN -0.187 nan 8.250 nan 0.000 0.430 431 I N 4.502 125.020 120.570 -0.087 0.000 2.421 431 I HA -0.001 4.171 4.170 0.003 0.000 0.291 431 I C 1.440 177.443 176.117 -0.191 0.000 1.089 431 I CA 0.247 61.486 61.300 -0.101 0.000 1.354 431 I CB -0.336 37.636 38.000 -0.046 0.000 1.413 431 I HN 0.473 nan 8.210 nan 0.000 0.513 432 L N 3.987 125.016 121.223 -0.322 0.000 2.416 432 L HA 0.196 4.538 4.340 0.003 0.000 0.216 432 L C 0.362 176.981 176.870 -0.419 0.000 1.098 432 L CA 0.627 55.097 54.840 -0.616 0.000 0.840 432 L CB 0.021 41.324 42.059 -1.259 0.000 0.981 432 L HN 0.577 nan 8.230 nan 0.000 0.462 433 D N -1.720 118.583 120.400 -0.161 0.000 2.648 433 D HA 0.339 4.980 4.640 0.003 0.000 0.244 433 D C -1.556 174.767 176.300 0.038 0.000 1.244 433 D CA -0.168 53.877 54.000 0.076 0.000 0.772 433 D CB 2.196 43.205 40.800 0.348 0.000 1.379 433 D HN -0.257 nan 8.370 nan 0.000 0.428 434 S N 1.215 116.963 115.700 0.080 0.000 2.649 434 S HA 0.742 5.214 4.470 0.003 0.000 0.274 434 S C -1.731 172.906 174.600 0.063 0.000 1.176 434 S CA -0.685 57.468 58.200 -0.077 0.000 0.988 434 S CB -0.047 63.120 63.200 -0.054 0.000 1.071 434 S HN 0.349 nan 8.310 nan 0.000 0.478 435 F N 2.331 122.301 119.950 0.032 0.000 2.645 435 F HA 0.854 5.382 4.527 0.003 0.000 0.310 435 F C -3.036 172.815 175.800 0.086 0.000 1.102 435 F CA -2.363 55.675 58.000 0.064 0.000 0.952 435 F CB 0.760 39.803 39.000 0.072 0.000 1.326 435 F HN 0.265 nan 8.300 nan 0.000 0.456 436 P HA 0.494 nan 4.420 nan 0.000 0.282 436 P C -0.934 176.653 177.300 0.479 0.000 1.249 436 P CA 0.042 63.331 63.100 0.315 0.000 0.806 436 P CB 1.830 33.693 31.700 0.273 0.000 0.984 437 A N 2.600 125.556 122.820 0.226 0.000 3.791 437 A HA 0.425 4.747 4.320 0.003 0.000 0.159 437 A C 1.641 179.048 177.584 -0.295 0.000 1.359 437 A CA -0.491 51.470 52.037 -0.126 0.000 0.899 437 A CB -0.628 18.374 19.000 0.002 0.000 1.642 437 A HN 0.457 nan 8.150 nan 0.000 0.612 438 L N -0.588 120.407 121.223 -0.379 0.000 2.017 438 L HA 0.189 4.531 4.340 0.003 0.000 0.208 438 L C 1.293 178.161 176.870 -0.003 0.000 1.073 438 L CA 1.470 56.232 54.840 -0.131 0.000 0.745 438 L CB -0.326 41.654 42.059 -0.132 0.000 0.894 438 L HN 0.918 nan 8.230 nan 0.000 0.432 439 G N -2.435 106.355 108.800 -0.015 0.000 2.322 439 G HA2 0.371 4.333 3.960 0.003 0.000 0.295 439 G HA3 0.371 4.333 3.960 0.003 0.000 0.295 439 G C -0.786 174.112 174.900 -0.002 0.000 1.369 439 G CA -0.374 44.729 45.100 0.005 0.000 0.821 439 G HN 0.170 nan 8.290 nan 0.000 0.536 440 G N -1.729 107.069 108.800 -0.003 0.000 2.667 440 G HA2 0.543 4.505 3.960 0.003 0.000 0.250 440 G HA3 0.543 4.505 3.960 0.003 0.000 0.250 440 G C 1.301 176.191 174.900 -0.018 0.000 1.212 440 G CA 1.190 46.286 45.100 -0.007 0.000 0.874 440 G HN 2.352 nan 8.290 nan 0.000 0.561 441 G N -1.547 107.236 108.800 -0.027 0.000 2.136 441 G HA2 -0.161 3.801 3.960 0.003 0.000 0.242 441 G HA3 -0.161 3.801 3.960 0.003 0.000 0.242 441 G C 0.595 175.459 174.900 -0.060 0.000 0.989 441 G CA 0.725 45.797 45.100 -0.046 0.000 0.682 441 G HN 1.369 nan 8.290 nan 0.000 0.522 442 S N -0.900 114.768 115.700 -0.053 0.000 2.564 442 S HA 0.637 5.109 4.470 0.003 0.000 0.278 442 S C 1.558 176.053 174.600 -0.174 0.000 1.333 442 S CA 0.052 58.218 58.200 -0.057 0.000 1.048 442 S CB 0.851 64.043 63.200 -0.014 0.000 0.900 442 S HN 0.415 nan 8.310 nan 0.000 0.505 443 L N 2.578 123.674 121.223 -0.213 0.000 2.624 443 L HA 0.450 4.791 4.340 0.003 0.000 0.222 443 L C -0.788 175.706 176.870 -0.627 0.000 1.046 443 L CA 0.154 54.639 54.840 -0.592 0.000 0.872 443 L CB 0.261 41.884 42.059 -0.726 0.000 1.190 443 L HN 0.523 nan 8.230 nan 0.000 0.487 444 F N -0.043 119.991 119.950 0.140 0.000 2.561 444 F HA 0.496 5.026 4.527 0.004 0.000 0.313 444 F C -0.428 175.457 175.800 0.142 0.000 1.126 444 F CA -0.683 57.405 58.000 0.147 0.000 0.918 444 F CB 2.176 41.268 39.000 0.153 0.000 1.199 444 F HN -0.284 nan 8.300 nan 0.000 0.444 445 I N 3.164 123.904 120.570 0.283 0.000 2.530 445 I HA 0.651 4.823 4.170 0.003 0.000 0.297 445 I C -1.228 175.054 176.117 0.276 0.000 1.011 445 I CA -0.616 60.824 61.300 0.234 0.000 1.107 445 I CB 1.530 39.580 38.000 0.083 0.000 1.285 445 I HN 0.593 nan 8.210 nan 0.000 0.436 446 K N 3.843 124.468 120.400 0.376 0.000 2.523 446 K HA 0.668 4.990 4.320 0.003 0.000 0.257 446 K C -1.152 175.801 176.600 0.589 0.000 0.932 446 K CA -0.431 56.119 56.287 0.438 0.000 0.812 446 K CB 2.172 34.911 32.500 0.398 0.000 1.326 446 K HN 0.644 nan 8.250 nan 0.000 0.433 447 T N 0.613 115.478 114.554 0.518 0.000 2.731 447 T HA 0.465 4.817 4.350 0.003 0.000 0.300 447 T C -2.201 172.498 174.700 -0.001 0.000 1.283 447 T CA -0.477 61.866 62.100 0.405 0.000 1.005 447 T CB 0.766 69.798 68.868 0.272 0.000 1.420 447 T HN 0.579 nan 8.240 nan 0.000 0.503 448 H N 0.220 119.065 119.070 -0.375 0.000 3.046 448 H HA 0.346 4.906 4.556 0.006 0.000 0.363 448 H C -2.418 172.796 175.328 -0.190 0.000 1.203 448 H CA -1.439 54.319 56.048 -0.483 0.000 1.169 448 H CB 2.448 31.474 29.762 -1.227 0.000 1.851 448 H HN 0.318 nan 8.280 nan 0.000 0.546 449 P HA -0.130 nan 4.420 nan 0.000 0.217 449 P C 0.748 178.093 177.300 0.075 0.000 1.148 449 P CA 1.253 64.280 63.100 -0.122 0.000 0.828 449 P CB 0.407 31.988 31.700 -0.199 0.000 0.783 450 N N -1.610 117.277 118.700 0.313 0.000 2.398 450 N HA 0.013 4.755 4.740 0.003 0.000 0.188 450 N C 0.480 176.085 175.510 0.158 0.000 1.122 450 N CA 0.459 53.641 53.050 0.219 0.000 0.866 450 N CB -0.108 38.511 38.487 0.221 0.000 0.970 450 N HN 0.082 nan 8.380 nan 0.000 0.462 451 S N 0.326 116.117 115.700 0.152 0.000 2.565 451 S HA 0.180 4.652 4.470 0.003 0.000 0.290 451 S C 0.855 175.476 174.600 0.035 0.000 1.150 451 S CA -0.663 57.639 58.200 0.169 0.000 1.058 451 S CB 1.311 64.716 63.200 0.343 0.000 1.032 451 S HN 0.299 nan 8.310 nan 0.000 0.510 452 Q N 2.126 121.838 119.800 -0.146 0.000 2.280 452 Q HA 0.217 4.559 4.340 0.003 0.000 0.201 452 Q C -1.081 174.644 176.000 -0.458 0.000 0.890 452 Q CA -0.016 55.578 55.803 -0.349 0.000 0.947 452 Q CB -0.027 28.419 28.738 -0.486 0.000 1.081 452 Q HN 0.646 nan 8.270 nan 0.000 0.502 453 Y N 0.457 120.800 120.300 0.072 0.000 2.468 453 Y HA 0.533 5.083 4.550 0.000 0.000 0.342 453 Y C -0.851 175.054 175.900 0.008 0.000 1.021 453 Y CA -1.770 56.313 58.100 -0.027 0.000 1.079 453 Y CB 1.824 40.192 38.460 -0.153 0.000 1.226 453 Y HN 0.051 nan 8.280 nan 0.000 0.460 454 L N 3.505 124.798 121.223 0.117 0.000 2.319 454 L HA 0.528 4.870 4.340 0.003 0.000 0.281 454 L C -1.866 175.141 176.870 0.228 0.000 1.005 454 L CA -0.829 54.123 54.840 0.187 0.000 0.828 454 L CB 0.190 42.287 42.059 0.064 0.000 1.227 454 L HN 0.446 nan 8.230 nan 0.000 0.415 455 Y N 4.158 124.675 120.300 0.362 0.000 2.320 455 Y HA 0.652 5.203 4.550 0.001 0.000 0.334 455 Y C -0.098 175.981 175.900 0.299 0.000 1.055 455 Y CA -0.736 57.565 58.100 0.334 0.000 1.143 455 Y CB 1.685 40.414 38.460 0.449 0.000 1.193 455 Y HN 0.265 nan 8.280 nan 0.000 0.477 456 V N 3.738 123.854 119.914 0.337 0.000 2.525 456 V HA 0.258 4.380 4.120 0.003 0.000 0.299 456 V C -0.684 175.493 176.094 0.137 0.000 1.034 456 V CA -1.095 61.348 62.300 0.239 0.000 0.863 456 V CB 1.457 33.406 31.823 0.209 0.000 0.999 456 V HN 0.812 nan 8.190 nan 0.000 0.423 457 D N 3.918 124.424 120.400 0.177 0.000 2.423 457 D HA 0.677 5.319 4.640 0.003 0.000 0.255 457 D C 0.261 176.591 176.300 0.050 0.000 1.174 457 D CA -0.472 53.595 54.000 0.112 0.000 1.008 457 D CB 1.791 42.721 40.800 0.217 0.000 1.101 457 D HN 0.692 nan 8.370 nan 0.000 0.516 458 A N -0.274 122.562 122.820 0.025 0.000 2.897 458 A HA 0.305 4.627 4.320 0.003 0.000 0.230 458 A C 1.099 178.691 177.584 0.014 0.000 0.896 458 A CA -0.425 51.613 52.037 0.000 0.000 1.114 458 A CB -0.590 18.393 19.000 -0.029 0.000 1.230 458 A HN 0.476 nan 8.150 nan 0.000 0.481 459 T N 0.781 115.369 114.554 0.058 0.000 2.649 459 T HA -0.210 4.141 4.350 0.003 0.000 0.268 459 T C 1.465 176.197 174.700 0.054 0.000 1.036 459 T CA 2.037 64.197 62.100 0.100 0.000 1.157 459 T CB -0.319 68.671 68.868 0.202 0.000 0.861 459 T HN 0.484 nan 8.240 nan 0.000 0.445 460 L N 0.640 121.874 121.223 0.018 0.000 2.592 460 L HA 0.203 4.545 4.340 0.003 0.000 0.227 460 L C 1.089 177.943 176.870 -0.027 0.000 1.127 460 L CA -0.363 54.473 54.840 -0.007 0.000 0.884 460 L CB -0.464 41.587 42.059 -0.014 0.000 1.065 460 L HN 0.231 nan 8.230 nan 0.000 0.457 461 N N 2.362 121.047 118.700 -0.024 0.000 2.412 461 N HA -0.015 4.727 4.740 0.003 0.000 0.254 461 N C -1.522 173.966 175.510 -0.036 0.000 1.232 461 N CA -0.744 52.289 53.050 -0.028 0.000 0.880 461 N CB 1.444 39.916 38.487 -0.025 0.000 1.076 461 N HN -0.045 nan 8.380 nan 0.000 0.458 462 P HA -0.042 nan 4.420 nan 0.000 0.229 462 P C -0.116 177.160 177.300 -0.040 0.000 1.160 462 P CA 0.851 63.926 63.100 -0.042 0.000 0.777 462 P CB 0.286 31.962 31.700 -0.039 0.000 0.814 463 E N -0.052 120.127 120.200 -0.035 0.000 2.130 463 E HA 0.382 4.734 4.350 0.003 0.000 0.284 463 E C 1.140 177.717 176.600 -0.039 0.000 1.018 463 E CA -0.421 55.959 56.400 -0.034 0.000 0.817 463 E CB 0.904 30.588 29.700 -0.027 0.000 1.078 463 E HN -0.095 nan 8.360 nan 0.000 0.396 464 A N 5.045 127.839 122.820 -0.042 0.000 1.903 464 A HA -0.271 4.051 4.320 0.003 0.000 0.219 464 A C 1.734 179.287 177.584 -0.050 0.000 1.191 464 A CA 1.864 53.873 52.037 -0.047 0.000 0.638 464 A CB -0.396 18.577 19.000 -0.045 0.000 0.823 464 A HN 0.851 nan 8.150 nan 0.000 0.451 465 E N -0.692 119.479 120.200 -0.049 0.000 2.153 465 E HA -0.138 4.214 4.350 0.003 0.000 0.194 465 E C 1.889 178.450 176.600 -0.065 0.000 0.988 465 E CA 1.127 57.491 56.400 -0.060 0.000 0.811 465 E CB -0.245 29.423 29.700 -0.053 0.000 0.746 465 E HN 0.743 nan 8.360 nan 0.000 0.466 466 I N 0.910 121.450 120.570 -0.050 0.000 2.233 466 I HA -0.214 3.957 4.170 0.003 0.000 0.243 466 I C 2.615 178.699 176.117 -0.055 0.000 1.093 466 I CA 1.066 62.337 61.300 -0.048 0.000 1.380 466 I CB -0.255 37.727 38.000 -0.030 0.000 1.067 466 I HN 0.098 nan 8.210 nan 0.000 0.413 467 S N 0.610 116.283 115.700 -0.045 0.000 2.447 467 S HA -0.061 4.411 4.470 0.003 0.000 0.233 467 S C 1.802 176.380 174.600 -0.038 0.000 1.006 467 S CA 0.962 59.143 58.200 -0.032 0.000 0.957 467 S CB -0.669 62.514 63.200 -0.028 0.000 0.773 467 S HN 0.471 nan 8.310 nan 0.000 0.507 468 G N 0.092 108.853 108.800 -0.064 0.000 3.284 468 G HA2 0.508 4.470 3.960 0.003 0.000 0.236 468 G HA3 0.508 4.470 3.960 0.003 0.000 0.236 468 G C -0.056 174.754 174.900 -0.151 0.000 1.158 468 G CA -0.300 44.750 45.100 -0.084 0.000 0.774 468 G HN 0.467 nan 8.290 nan 0.000 0.545 469 S N -1.433 114.170 115.700 -0.161 0.000 2.667 469 S HA 0.738 5.210 4.470 0.003 0.000 0.292 469 S C -1.051 173.405 174.600 -0.239 0.000 1.126 469 S CA -0.532 57.528 58.200 -0.233 0.000 0.881 469 S CB 2.641 65.723 63.200 -0.197 0.000 1.132 469 S HN -0.035 nan 8.310 nan 0.000 0.492 470 V N 1.116 120.849 119.914 -0.301 0.000 2.709 470 V HA 0.757 4.879 4.120 0.003 0.000 0.308 470 V C -0.253 175.713 176.094 -0.214 0.000 1.062 470 V CA -0.818 61.319 62.300 -0.273 0.000 0.901 470 V CB 1.706 33.242 31.823 -0.478 0.000 1.003 470 V HN 1.045 nan 8.190 nan 0.000 0.425 471 A N 4.082 126.769 122.820 -0.221 0.000 2.331 471 A HA 0.788 5.109 4.320 0.003 0.000 0.283 471 A C -0.623 176.790 177.584 -0.285 0.000 1.142 471 A CA -0.360 51.451 52.037 -0.378 0.000 0.812 471 A CB 0.879 19.350 19.000 -0.881 0.000 1.074 471 A HN 0.806 nan 8.150 nan 0.000 0.497 472 V N 3.081 122.798 119.914 -0.327 0.000 2.443 472 V HA 0.388 4.510 4.120 0.003 0.000 0.293 472 V C -1.027 174.889 176.094 -0.296 0.000 1.021 472 V CA -0.264 61.831 62.300 -0.341 0.000 0.848 472 V CB 0.670 32.204 31.823 -0.481 0.000 0.998 472 V HN 0.712 nan 8.190 nan 0.000 0.424 473 F N 1.982 121.938 119.950 0.010 0.000 2.399 473 F HA 0.439 4.968 4.527 0.003 0.000 0.334 473 F C 0.647 176.515 175.800 0.114 0.000 1.097 473 F CA -0.552 57.492 58.000 0.073 0.000 1.076 473 F CB 1.046 40.082 39.000 0.059 0.000 1.162 473 F HN 0.410 nan 8.300 nan 0.000 0.495 474 D N 3.401 123.971 120.400 0.283 0.000 2.393 474 D HA 0.187 4.829 4.640 0.003 0.000 0.232 474 D C 1.167 177.464 176.300 -0.005 0.000 1.192 474 D CA 0.207 54.315 54.000 0.179 0.000 0.882 474 D CB 0.477 41.375 40.800 0.162 0.000 1.038 474 D HN 0.494 nan 8.370 nan 0.000 0.499 475 I N 3.277 123.774 120.570 -0.122 0.000 2.208 475 I HA -0.296 3.875 4.170 0.003 0.000 0.245 475 I C 2.304 178.322 176.117 -0.165 0.000 1.097 475 I CA 1.001 62.175 61.300 -0.209 0.000 1.363 475 I CB -0.016 37.790 38.000 -0.323 0.000 1.051 475 I HN 0.345 nan 8.210 nan 0.000 0.413 476 K N 0.708 121.020 120.400 -0.148 0.000 2.152 476 K HA -0.146 4.176 4.320 0.003 0.000 0.206 476 K C 2.037 178.576 176.600 -0.102 0.000 1.048 476 K CA 1.492 57.710 56.287 -0.115 0.000 0.933 476 K CB -0.212 32.224 32.500 -0.107 0.000 0.721 476 K HN 0.359 nan 8.250 nan 0.000 0.447 477 A N 0.757 123.526 122.820 -0.085 0.000 2.169 477 A HA 0.071 4.393 4.320 0.003 0.000 0.212 477 A C 0.882 178.408 177.584 -0.097 0.000 1.153 477 A CA 0.092 52.089 52.037 -0.066 0.000 0.756 477 A CB -0.198 18.785 19.000 -0.027 0.000 0.813 477 A HN 0.151 nan 8.150 nan 0.000 0.471 478 M N 0.685 120.189 119.600 -0.159 0.000 2.238 478 M HA 0.104 4.586 4.480 0.003 0.000 0.350 478 M C 1.351 177.514 176.300 -0.229 0.000 1.321 478 M CA 0.723 55.893 55.300 -0.217 0.000 1.097 478 M CB 0.845 33.232 32.600 -0.356 0.000 1.713 478 M HN 0.422 nan 8.290 nan 0.000 0.455 479 T N -2.497 111.993 114.554 -0.108 0.000 2.955 479 T HA 0.280 4.632 4.350 0.003 0.000 0.251 479 T C 1.217 175.877 174.700 -0.067 0.000 1.002 479 T CA 0.357 62.409 62.100 -0.080 0.000 0.970 479 T CB 0.259 69.095 68.868 -0.052 0.000 1.091 479 T HN 0.980 nan 8.240 nan 0.000 0.495 480 G N 3.393 112.204 108.800 0.018 0.000 2.221 480 G HA2 -0.249 3.713 3.960 0.003 0.000 0.265 480 G HA3 -0.249 3.713 3.960 0.003 0.000 0.265 480 G C 0.295 175.220 174.900 0.043 0.000 1.041 480 G CA 0.476 45.555 45.100 -0.036 0.000 0.807 480 G HN 0.775 nan 8.290 nan 0.000 0.502 481 D N -0.979 119.449 120.400 0.047 0.000 2.340 481 D HA 0.354 4.996 4.640 0.003 0.000 0.220 481 D C 1.839 178.190 176.300 0.085 0.000 1.039 481 D CA 0.691 54.723 54.000 0.054 0.000 0.866 481 D CB -0.401 40.414 40.800 0.025 0.000 0.913 481 D HN 1.548 nan 8.370 nan 0.000 0.523 482 G N 0.053 108.925 108.800 0.121 0.000 2.213 482 G HA2 -0.279 3.683 3.960 0.003 0.000 0.236 482 G HA3 -0.279 3.683 3.960 0.003 0.000 0.236 482 G C 0.495 175.459 174.900 0.105 0.000 0.991 482 G CA 0.349 45.523 45.100 0.123 0.000 0.629 482 G HN 0.814 nan 8.290 nan 0.000 0.517 483 S N 0.163 115.911 115.700 0.080 0.000 2.634 483 S HA 0.547 5.019 4.470 0.003 0.000 0.261 483 S C -0.426 174.220 174.600 0.077 0.000 1.271 483 S CA -0.088 58.152 58.200 0.066 0.000 0.985 483 S CB 1.446 64.668 63.200 0.037 0.000 0.968 483 S HN 0.117 nan 8.310 nan 0.000 0.568 484 D N 2.575 123.023 120.400 0.082 0.000 2.347 484 D HA 0.415 5.057 4.640 0.003 0.000 0.235 484 D C -2.310 174.020 176.300 0.051 0.000 1.149 484 D CA -1.295 52.772 54.000 0.112 0.000 0.850 484 D CB 0.669 41.573 40.800 0.172 0.000 1.061 484 D HN 0.368 nan 8.370 nan 0.000 0.487 485 P HA -0.001 nan 4.420 nan 0.000 0.262 485 P C 0.240 177.648 177.300 0.180 0.000 1.182 485 P CA -0.038 63.033 63.100 -0.048 0.000 0.761 485 P CB 0.496 31.990 31.700 -0.344 0.000 0.795 486 E N 3.214 123.460 120.200 0.077 0.000 2.374 486 E HA 0.402 4.754 4.350 0.003 0.000 0.260 486 E C -0.703 175.876 176.600 -0.035 0.000 1.101 486 E CA -0.540 55.836 56.400 -0.040 0.000 0.907 486 E CB 0.377 30.006 29.700 -0.118 0.000 1.014 486 E HN 0.389 nan 8.360 nan 0.000 0.427 487 F N -1.236 118.559 119.950 -0.260 0.000 2.599 487 F HA 0.562 5.090 4.527 0.002 0.000 0.311 487 F C -0.625 174.978 175.800 -0.328 0.000 1.076 487 F CA -1.570 56.117 58.000 -0.523 0.000 0.937 487 F CB 1.423 39.722 39.000 -1.168 0.000 1.282 487 F HN 0.371 nan 8.300 nan 0.000 0.460 488 K N 0.817 121.157 120.400 -0.101 0.000 2.143 488 K HA 0.531 4.853 4.320 0.003 0.000 0.272 488 K C -1.011 175.581 176.600 -0.014 0.000 1.001 488 K CA -0.429 55.794 56.287 -0.107 0.000 0.915 488 K CB 1.338 33.755 32.500 -0.138 0.000 1.047 488 K HN 0.881 nan 8.250 nan 0.000 0.458 489 T N 4.995 119.525 114.554 -0.040 0.000 2.753 489 T HA 0.306 4.658 4.350 0.003 0.000 0.297 489 T C -0.267 174.319 174.700 -0.189 0.000 0.981 489 T CA -0.599 61.469 62.100 -0.053 0.000 0.956 489 T CB 0.213 69.073 68.868 -0.013 0.000 0.936 489 T HN 0.392 nan 8.240 nan 0.000 0.463 490 L N 6.423 127.478 121.223 -0.282 0.000 2.265 490 L HA 0.354 4.695 4.340 0.003 0.000 0.288 490 L C -1.754 174.702 176.870 -0.690 0.000 1.058 490 L CA -2.183 52.337 54.840 -0.534 0.000 0.809 490 L CB 0.992 42.760 42.059 -0.485 0.000 1.179 490 L HN 0.346 nan 8.230 nan 0.000 0.429 491 P HA 0.092 nan 4.420 nan 0.000 0.225 491 P C 1.019 177.784 177.300 -0.891 0.000 1.813 491 P CA -0.319 62.335 63.100 -0.743 0.000 1.013 491 P CB 0.243 31.584 31.700 -0.598 0.000 1.961 492 I N 1.441 121.603 120.570 -0.679 0.000 2.118 492 I HA -0.268 3.904 4.170 0.003 0.000 0.241 492 I C 2.341 178.358 176.117 -0.167 0.000 1.070 492 I CA 1.808 62.869 61.300 -0.398 0.000 1.327 492 I CB -1.936 35.865 38.000 -0.332 0.000 1.034 492 I HN 0.155 nan 8.210 nan 0.000 0.405 493 A N 0.177 122.905 122.820 -0.154 0.000 1.902 493 A HA -0.245 4.077 4.320 0.003 0.000 0.217 493 A C 2.388 179.947 177.584 -0.042 0.000 1.181 493 A CA 1.811 53.809 52.037 -0.065 0.000 0.623 493 A CB -0.714 18.250 19.000 -0.060 0.000 0.818 493 A HN 0.540 nan 8.150 nan 0.000 0.443 494 E N -1.168 118.975 120.200 -0.095 0.000 2.077 494 E HA -0.228 4.124 4.350 0.003 0.000 0.193 494 E C 1.723 178.386 176.600 0.106 0.000 0.989 494 E CA 1.346 57.727 56.400 -0.031 0.000 0.800 494 E CB -0.210 29.437 29.700 -0.088 0.000 0.746 494 E HN 0.768 nan 8.360 nan 0.000 0.452 495 W N 0.324 121.584 121.300 -0.068 0.000 2.350 495 W HA -0.053 4.613 4.660 0.011 0.000 0.289 495 W C 2.330 178.794 176.519 -0.092 0.000 1.215 495 W CA 1.054 58.351 57.345 -0.081 0.000 1.236 495 W CB -1.004 28.403 29.460 -0.088 0.000 1.130 495 W HN 0.205 nan 8.180 nan 0.000 0.541 496 A N -0.269 122.634 122.820 0.138 0.000 2.119 496 A HA 0.299 4.620 4.320 0.003 0.000 0.217 496 A C 1.749 179.340 177.584 0.012 0.000 1.153 496 A CA 1.236 53.297 52.037 0.040 0.000 0.692 496 A CB -0.987 18.030 19.000 0.028 0.000 0.799 496 A HN 0.563 nan 8.150 nan 0.000 0.458 497 G N -0.354 108.462 108.800 0.027 0.000 2.359 497 G HA2 -0.216 3.746 3.960 0.003 0.000 0.298 497 G HA3 -0.216 3.746 3.960 0.003 0.000 0.298 497 G C -0.188 174.712 174.900 -0.000 0.000 1.030 497 G CA 0.450 45.555 45.100 0.009 0.000 1.149 497 G HN 0.522 nan 8.290 nan 0.000 0.512 498 I N 0.612 121.183 120.570 0.002 0.000 2.339 498 I HA 0.261 4.433 4.170 0.003 0.000 0.290 498 I C 1.574 177.689 176.117 -0.004 0.000 0.994 498 I CA -0.655 60.645 61.300 0.000 0.000 1.191 498 I CB 1.540 39.544 38.000 0.006 0.000 1.343 498 I HN 0.172 nan 8.210 nan 0.000 0.458 499 T N 3.467 118.019 114.554 -0.004 0.000 2.770 499 T HA -0.058 4.294 4.350 0.003 0.000 0.258 499 T C 0.807 175.502 174.700 -0.008 0.000 1.039 499 T CA 0.662 62.758 62.100 -0.007 0.000 1.143 499 T CB -0.063 68.801 68.868 -0.006 0.000 0.866 499 T HN 0.680 nan 8.240 nan 0.000 0.428 500 E N 2.146 122.344 120.200 -0.005 0.000 2.373 500 E HA 0.391 4.742 4.350 0.003 0.000 0.267 500 E C 0.884 177.477 176.600 -0.012 0.000 1.032 500 E CA 0.157 56.553 56.400 -0.006 0.000 0.889 500 E CB 0.318 30.017 29.700 -0.001 0.000 0.984 500 E HN 0.411 nan 8.360 nan 0.000 0.425 501 G N 2.957 111.746 108.800 -0.018 0.000 2.633 501 G HA2 -0.297 3.664 3.960 0.003 0.000 0.263 501 G HA3 -0.297 3.664 3.960 0.003 0.000 0.263 501 G C -0.751 174.129 174.900 -0.034 0.000 1.310 501 G CA 0.385 45.467 45.100 -0.029 0.000 0.914 501 G HN 0.609 nan 8.290 nan 0.000 0.569 502 Q N 1.101 120.872 119.800 -0.049 0.000 2.907 502 Q HA 0.428 4.770 4.340 0.003 0.000 0.262 502 Q C -2.149 173.813 176.000 -0.064 0.000 0.997 502 Q CA -1.228 54.544 55.803 -0.052 0.000 0.797 502 Q CB 1.537 30.240 28.738 -0.058 0.000 1.228 502 Q HN 0.645 nan 8.270 nan 0.000 0.466 503 P HA 0.007 nan 4.420 nan 0.000 0.267 503 P C -0.486 176.803 177.300 -0.017 0.000 1.200 503 P CA -0.054 63.028 63.100 -0.029 0.000 0.772 503 P CB 0.843 32.553 31.700 0.017 0.000 0.855 504 R N 1.555 122.056 120.500 0.003 0.000 2.346 504 R HA 0.418 4.760 4.340 0.003 0.000 0.311 504 R C -0.490 175.921 176.300 0.185 0.000 0.983 504 R CA -1.029 55.109 56.100 0.064 0.000 0.880 504 R CB 1.020 31.342 30.300 0.037 0.000 1.100 504 R HN 0.279 nan 8.270 nan 0.000 0.453 505 V N 3.567 123.559 119.914 0.131 0.000 2.432 505 V HA 0.310 4.432 4.120 0.003 0.000 0.275 505 V C 0.102 176.338 176.094 0.237 0.000 1.043 505 V CA -0.445 61.945 62.300 0.150 0.000 0.925 505 V CB 1.576 33.405 31.823 0.009 0.000 0.985 505 V HN 0.465 nan 8.190 nan 0.000 0.466 506 V N 5.446 125.547 119.914 0.311 0.000 2.888 506 V HA 0.539 4.661 4.120 0.003 0.000 0.309 506 V C -0.476 175.796 176.094 0.296 0.000 1.114 506 V CA -0.352 62.163 62.300 0.359 0.000 0.940 506 V CB 1.774 33.835 31.823 0.396 0.000 1.021 506 V HN 1.057 nan 8.190 nan 0.000 0.426 507 Q N 3.282 123.270 119.800 0.313 0.000 2.449 507 Q HA -0.131 4.210 4.340 0.003 0.000 0.300 507 Q C 0.003 175.920 176.000 -0.139 0.000 1.317 507 Q CA 0.756 56.548 55.803 -0.019 0.000 0.836 507 Q CB -0.884 27.486 28.738 -0.613 0.000 0.935 507 Q HN 1.475 nan 8.270 nan 0.000 0.305 508 G N 3.135 111.847 108.800 -0.147 0.000 2.398 508 G HA2 0.305 4.267 3.960 0.003 0.000 0.246 508 G HA3 0.305 4.267 3.960 0.003 0.000 0.246 508 G C -0.440 174.210 174.900 -0.417 0.000 1.289 508 G CA 0.272 44.941 45.100 -0.718 0.000 0.869 508 G HN 0.558 nan 8.290 nan 0.000 0.543 509 E N 1.110 121.038 120.200 -0.452 0.000 2.278 509 E HA 0.517 4.869 4.350 0.003 0.000 0.272 509 E C -1.248 175.287 176.600 -0.109 0.000 0.890 509 E CA -0.727 55.567 56.400 -0.176 0.000 0.770 509 E CB 0.914 30.500 29.700 -0.190 0.000 1.212 509 E HN 0.247 nan 8.360 nan 0.000 0.415 510 F N 2.786 122.725 119.950 -0.018 0.000 2.370 510 F HA 0.346 4.873 4.527 0.000 0.000 0.319 510 F C 1.287 177.107 175.800 0.034 0.000 1.129 510 F CA -0.366 57.657 58.000 0.039 0.000 1.109 510 F CB 0.620 39.646 39.000 0.044 0.000 1.262 510 F HN 0.537 nan 8.300 nan 0.000 0.534 511 N N 1.094 120.003 118.700 0.348 0.000 2.327 511 N HA 0.054 4.795 4.740 0.003 0.000 0.257 511 N C 0.661 176.224 175.510 0.088 0.000 1.281 511 N CA -0.486 52.706 53.050 0.237 0.000 0.942 511 N CB 0.241 38.946 38.487 0.363 0.000 1.199 511 N HN 0.685 nan 8.380 nan 0.000 0.532 512 K N -0.747 119.674 120.400 0.034 0.000 2.063 512 K HA -0.166 4.155 4.320 0.003 0.000 0.208 512 K C 0.197 176.775 176.600 -0.036 0.000 1.048 512 K CA 1.645 57.934 56.287 0.004 0.000 0.928 512 K CB -0.130 32.316 32.500 -0.090 0.000 0.713 512 K HN 0.463 nan 8.250 nan 0.000 0.442 513 D N -0.438 119.940 120.400 -0.036 0.000 2.347 513 D HA 0.017 4.658 4.640 0.003 0.000 0.215 513 D C 0.823 177.026 176.300 -0.160 0.000 0.976 513 D CA 1.146 55.118 54.000 -0.047 0.000 0.884 513 D CB 0.135 40.936 40.800 0.002 0.000 0.915 513 D HN 0.529 nan 8.370 nan 0.000 0.526 514 G N 0.914 109.506 108.800 -0.347 0.000 2.246 514 G HA2 -0.301 3.660 3.960 0.003 0.000 0.273 514 G HA3 -0.301 3.660 3.960 0.003 0.000 0.273 514 G C 0.996 175.904 174.900 0.012 0.000 1.055 514 G CA 1.096 45.781 45.100 -0.693 0.000 0.851 514 G HN 0.427 nan 8.290 nan 0.000 0.500 515 T N -3.889 110.760 114.554 0.159 0.000 2.971 515 T HA 0.467 4.819 4.350 0.003 0.000 0.252 515 T C 0.488 175.340 174.700 0.254 0.000 1.022 515 T CA 0.768 62.994 62.100 0.210 0.000 0.980 515 T CB 0.887 69.840 68.868 0.141 0.000 1.044 515 T HN 0.495 nan 8.240 nan 0.000 0.501 516 E N 0.377 120.736 120.200 0.266 0.000 2.314 516 E HA 0.633 4.985 4.350 0.003 0.000 0.272 516 E C -1.954 174.667 176.600 0.035 0.000 0.884 516 E CA -0.961 55.557 56.400 0.197 0.000 0.753 516 E CB 3.337 33.207 29.700 0.284 0.000 1.213 516 E HN 0.074 nan 8.360 nan 0.000 0.432 517 V N 3.160 122.960 119.914 -0.190 0.000 2.531 517 V HA 0.491 4.613 4.120 0.003 0.000 0.301 517 V C -1.686 174.246 176.094 -0.271 0.000 1.034 517 V CA -0.499 61.429 62.300 -0.620 0.000 0.865 517 V CB 0.665 31.640 31.823 -1.413 0.000 0.995 517 V HN 0.587 nan 8.190 nan 0.000 0.424 518 W N 5.797 126.720 121.300 -0.628 0.000 2.496 518 W HA 0.741 5.401 4.660 -0.001 0.000 0.327 518 W C -0.625 175.457 176.519 -0.729 0.000 1.086 518 W CA -0.976 56.070 57.345 -0.499 0.000 1.222 518 W CB 1.144 30.346 29.460 -0.428 0.000 1.304 518 W HN 0.394 nan 8.180 nan 0.000 0.547 519 F N 1.020 120.998 119.950 0.048 0.000 2.551 519 F HA 0.442 4.970 4.527 0.001 0.000 0.316 519 F C 0.433 176.248 175.800 0.024 0.000 1.089 519 F CA -1.077 56.933 58.000 0.016 0.000 0.915 519 F CB 1.670 40.670 39.000 0.000 0.000 1.186 519 F HN -0.022 nan 8.300 nan 0.000 0.456 520 S N 1.412 117.235 115.700 0.204 0.000 2.537 520 S HA 0.498 4.970 4.470 0.003 0.000 0.275 520 S C -0.453 174.266 174.600 0.199 0.000 1.272 520 S CA -0.669 57.620 58.200 0.148 0.000 1.050 520 S CB 1.253 64.494 63.200 0.069 0.000 0.961 520 S HN 0.338 nan 8.310 nan 0.000 0.496 521 V N 4.347 124.362 119.914 0.168 0.000 2.239 521 V HA 0.190 4.312 4.120 0.003 0.000 0.267 521 V C -0.725 175.511 176.094 0.236 0.000 1.056 521 V CA -0.722 61.678 62.300 0.168 0.000 0.830 521 V CB -0.195 31.685 31.823 0.095 0.000 1.090 521 V HN 0.909 nan 8.190 nan 0.000 0.459 522 W N 5.893 127.229 121.300 0.059 0.000 2.416 522 W HA 0.493 5.155 4.660 0.003 0.000 0.318 522 W C -0.151 176.407 176.519 0.066 0.000 1.150 522 W CA -0.636 56.751 57.345 0.069 0.000 1.392 522 W CB 0.340 29.858 29.460 0.096 0.000 1.311 522 W HN 0.427 nan 8.180 nan 0.000 0.436 523 N N 2.623 121.452 118.700 0.216 0.000 2.525 523 N HA 0.612 5.354 4.740 0.003 0.000 0.288 523 N C 0.212 175.760 175.510 0.063 0.000 1.242 523 N CA -0.278 52.791 53.050 0.031 0.000 0.905 523 N CB 1.420 39.938 38.487 0.052 0.000 1.258 523 N HN 0.479 nan 8.380 nan 0.000 0.551 524 G N 0.090 108.898 108.800 0.014 0.000 2.732 524 G HA2 -0.016 3.945 3.960 0.003 0.000 0.244 524 G HA3 -0.016 3.945 3.960 0.003 0.000 0.244 524 G C 0.892 175.865 174.900 0.122 0.000 1.226 524 G CA -0.087 45.053 45.100 0.066 0.000 0.860 524 G HN 0.696 nan 8.290 nan 0.000 0.583 525 K N -0.752 119.733 120.400 0.142 0.000 2.103 525 K HA -0.104 4.217 4.320 0.003 0.000 0.207 525 K C 0.748 177.407 176.600 0.098 0.000 1.048 525 K CA 1.715 58.084 56.287 0.136 0.000 0.930 525 K CB 0.070 32.658 32.500 0.145 0.000 0.716 525 K HN 0.451 nan 8.250 nan 0.000 0.444 526 D N 0.426 120.873 120.400 0.079 0.000 2.424 526 D HA 0.071 4.712 4.640 0.003 0.000 0.220 526 D C -0.146 176.183 176.300 0.048 0.000 1.150 526 D CA 0.229 54.265 54.000 0.059 0.000 0.831 526 D CB 0.660 41.490 40.800 0.051 0.000 0.981 526 D HN 0.328 nan 8.370 nan 0.000 0.500 527 Q N 0.199 120.031 119.800 0.054 0.000 2.418 527 Q HA 0.334 4.676 4.340 0.003 0.000 0.276 527 Q C -0.309 175.720 176.000 0.049 0.000 1.081 527 Q CA -0.780 55.048 55.803 0.042 0.000 0.864 527 Q CB 2.195 30.952 28.738 0.031 0.000 1.384 527 Q HN -0.036 nan 8.270 nan 0.000 0.467 528 E N 0.514 120.737 120.200 0.037 0.000 2.194 528 E HA 0.277 4.629 4.350 0.003 0.000 0.284 528 E C -1.071 175.560 176.600 0.050 0.000 1.035 528 E CA -0.013 56.410 56.400 0.037 0.000 0.836 528 E CB 0.834 30.547 29.700 0.021 0.000 1.070 528 E HN 0.414 nan 8.360 nan 0.000 0.401 529 S N 1.596 117.334 115.700 0.063 0.000 2.759 529 S HA 0.946 5.418 4.470 0.003 0.000 0.310 529 S C -1.053 173.578 174.600 0.052 0.000 1.123 529 S CA -0.429 57.821 58.200 0.084 0.000 0.959 529 S CB 1.843 65.123 63.200 0.133 0.000 1.172 529 S HN 0.720 nan 8.310 nan 0.000 0.539 530 A N 0.343 123.196 122.820 0.054 0.000 2.586 530 A HA 0.718 5.039 4.320 0.003 0.000 0.290 530 A C -2.212 175.382 177.584 0.016 0.000 1.086 530 A CA -0.721 51.325 52.037 0.014 0.000 0.665 530 A CB 0.613 19.606 19.000 -0.012 0.000 1.279 530 A HN 0.606 nan 8.150 nan 0.000 0.423 531 L N 0.592 121.790 121.223 -0.041 0.000 2.329 531 L HA 0.687 5.029 4.340 0.003 0.000 0.279 531 L C -0.897 175.876 176.870 -0.161 0.000 1.014 531 L CA -1.095 53.703 54.840 -0.070 0.000 0.814 531 L CB 1.799 43.791 42.059 -0.111 0.000 1.257 531 L HN 0.421 nan 8.230 nan 0.000 0.424 532 V N 3.667 123.526 119.914 -0.092 0.000 2.417 532 V HA 0.371 4.493 4.120 0.003 0.000 0.291 532 V C -0.037 175.949 176.094 -0.181 0.000 1.024 532 V CA -0.632 61.613 62.300 -0.092 0.000 0.861 532 V CB 2.190 34.071 31.823 0.097 0.000 0.985 532 V HN 0.432 nan 8.190 nan 0.000 0.436 533 V N 6.019 125.702 119.914 -0.385 0.000 2.370 533 V HA 0.438 4.560 4.120 0.003 0.000 0.279 533 V C -0.050 175.938 176.094 -0.178 0.000 1.029 533 V CA -0.515 61.489 62.300 -0.492 0.000 0.870 533 V CB 1.684 32.963 31.823 -0.906 0.000 0.984 533 V HN 0.605 nan 8.190 nan 0.000 0.451 534 V N 3.564 123.466 119.914 -0.021 0.000 2.435 534 V HA 0.302 4.424 4.120 0.003 0.000 0.290 534 V C -0.063 176.077 176.094 0.077 0.000 1.030 534 V CA -0.668 61.691 62.300 0.098 0.000 0.881 534 V CB 1.909 33.902 31.823 0.284 0.000 0.983 534 V HN 0.972 nan 8.190 nan 0.000 0.445 535 D N 2.542 122.986 120.400 0.074 0.000 2.338 535 D HA 0.068 4.709 4.640 0.003 0.000 0.255 535 D C 0.960 177.377 176.300 0.194 0.000 1.237 535 D CA 0.028 54.095 54.000 0.111 0.000 0.883 535 D CB 1.039 41.880 40.800 0.068 0.000 1.087 535 D HN 0.701 nan 8.370 nan 0.000 0.485 536 D N 2.992 123.548 120.400 0.260 0.000 2.144 536 D HA -0.196 4.446 4.640 0.003 0.000 0.199 536 D C 1.363 177.924 176.300 0.434 0.000 0.984 536 D CA 1.172 55.426 54.000 0.423 0.000 0.834 536 D CB 0.397 41.514 40.800 0.529 0.000 0.955 536 D HN 0.200 nan 8.370 nan 0.000 0.465 537 K N -0.524 120.062 120.400 0.310 0.000 2.097 537 K HA -0.058 4.263 4.320 0.003 0.000 0.205 537 K C 2.233 178.995 176.600 0.269 0.000 1.050 537 K CA 1.683 58.139 56.287 0.282 0.000 0.938 537 K CB -0.796 31.812 32.500 0.180 0.000 0.718 537 K HN 0.454 nan 8.250 nan 0.000 0.442 538 T N -2.192 112.474 114.554 0.187 0.000 2.990 538 T HA 0.224 4.575 4.350 0.003 0.000 0.250 538 T C 0.953 175.704 174.700 0.085 0.000 1.041 538 T CA -0.192 61.982 62.100 0.124 0.000 1.010 538 T CB -0.025 68.887 68.868 0.073 0.000 1.003 538 T HN 0.174 nan 8.240 nan 0.000 0.499 539 L N 0.422 121.702 121.223 0.094 0.000 4.089 539 L HA -0.163 4.179 4.340 0.003 0.000 0.408 539 L C -0.262 176.709 176.870 0.168 0.000 1.184 539 L CA 0.419 55.312 54.840 0.088 0.000 0.947 539 L CB -2.064 39.941 42.059 -0.090 0.000 2.066 539 L HN 0.508 nan 8.230 nan 0.000 0.851 540 E N 0.100 120.339 120.200 0.065 0.000 2.222 540 E HA 0.531 4.883 4.350 0.003 0.000 0.267 540 E C -0.248 176.162 176.600 -0.316 0.000 0.963 540 E CA -1.264 55.067 56.400 -0.115 0.000 0.837 540 E CB 2.170 31.797 29.700 -0.122 0.000 1.183 540 E HN 0.099 nan 8.360 nan 0.000 0.403 541 L N 2.462 123.172 121.223 -0.855 0.000 2.513 541 L HA -0.013 4.329 4.340 0.003 0.000 0.272 541 L C 0.787 177.417 176.870 -0.399 0.000 1.187 541 L CA 0.687 55.036 54.840 -0.818 0.000 0.895 541 L CB 0.440 41.750 42.059 -1.249 0.000 1.147 541 L HN 0.446 nan 8.230 nan 0.000 0.483 542 K N 3.364 123.606 120.400 -0.263 0.000 2.190 542 K HA 0.147 4.469 4.320 0.003 0.000 0.202 542 K C -0.419 176.067 176.600 -0.191 0.000 1.045 542 K CA 0.865 57.046 56.287 -0.177 0.000 0.976 542 K CB 0.045 32.477 32.500 -0.114 0.000 0.849 542 K HN 0.826 nan 8.250 nan 0.000 0.468 543 H N -1.616 117.178 119.070 -0.460 0.000 3.094 543 H HA 0.463 5.021 4.556 0.003 0.000 0.346 543 H C -1.956 173.073 175.328 -0.500 0.000 1.238 543 H CA -0.739 54.982 56.048 -0.545 0.000 1.209 543 H CB 1.584 30.758 29.762 -0.981 0.000 1.911 543 H HN -0.165 nan 8.280 nan 0.000 0.540 544 V N 5.885 125.355 119.914 -0.740 0.000 2.357 544 V HA 0.334 4.456 4.120 0.003 0.000 0.284 544 V C 0.124 175.933 176.094 -0.474 0.000 1.018 544 V CA -0.523 61.489 62.300 -0.481 0.000 0.841 544 V CB 1.073 32.705 31.823 -0.318 0.000 0.991 544 V HN 0.569 nan 8.190 nan 0.000 0.437 545 I N 5.722 126.120 120.570 -0.288 0.000 2.297 545 I HA 0.434 4.606 4.170 0.003 0.000 0.291 545 I C 0.126 176.181 176.117 -0.103 0.000 1.033 545 I CA -0.149 61.055 61.300 -0.160 0.000 1.253 545 I CB 0.683 38.576 38.000 -0.179 0.000 1.396 545 I HN 0.510 nan 8.210 nan 0.000 0.476 546 K N 5.385 125.742 120.400 -0.072 0.000 2.427 546 K HA 0.529 4.851 4.320 0.003 0.000 0.252 546 K C -1.376 175.216 176.600 -0.013 0.000 0.931 546 K CA -0.883 55.381 56.287 -0.039 0.000 0.793 546 K CB 2.767 35.238 32.500 -0.047 0.000 1.211 546 K HN 0.470 nan 8.250 nan 0.000 0.426 547 D N 1.332 121.733 120.400 0.002 0.000 2.769 547 D HA 0.042 4.684 4.640 0.003 0.000 0.219 547 D C 0.136 176.447 176.300 0.019 0.000 1.245 547 D CA -0.269 53.739 54.000 0.012 0.000 0.801 547 D CB 1.853 42.664 40.800 0.018 0.000 1.598 547 D HN 0.402 nan 8.370 nan 0.000 0.485 548 E N 1.338 121.550 120.200 0.020 0.000 2.209 548 E HA -0.126 4.225 4.350 0.003 0.000 0.196 548 E C 1.404 178.023 176.600 0.032 0.000 0.993 548 E CA 0.950 57.365 56.400 0.025 0.000 0.819 548 E CB 0.124 29.837 29.700 0.023 0.000 0.745 548 E HN 0.415 nan 8.360 nan 0.000 0.477 549 R N 0.009 120.528 120.500 0.032 0.000 2.275 549 R HA 0.058 4.400 4.340 0.003 0.000 0.199 549 R C 0.853 177.177 176.300 0.040 0.000 0.989 549 R CA -0.100 56.022 56.100 0.037 0.000 1.016 549 R CB -0.028 30.293 30.300 0.035 0.000 0.918 549 R HN -0.047 nan 8.270 nan 0.000 0.473 550 L N 2.048 123.294 121.223 0.039 0.000 2.384 550 L HA 0.135 4.477 4.340 0.003 0.000 0.258 550 L C -0.797 176.105 176.870 0.053 0.000 1.266 550 L CA 0.020 54.885 54.840 0.043 0.000 1.162 550 L CB 0.568 42.649 42.059 0.037 0.000 1.375 550 L HN -0.207 nan 8.230 nan 0.000 0.420 551 V N 2.984 122.931 119.914 0.055 0.000 2.407 551 V HA 0.256 4.377 4.120 0.003 0.000 0.278 551 V C 0.737 176.881 176.094 0.084 0.000 1.037 551 V CA -0.030 62.315 62.300 0.075 0.000 0.900 551 V CB 1.149 33.014 31.823 0.070 0.000 0.983 551 V HN 0.839 nan 8.190 nan 0.000 0.459 552 T N 4.069 118.713 114.554 0.151 0.000 3.549 552 T HA -0.115 4.237 4.350 0.003 0.000 0.398 552 T C -1.728 172.982 174.700 0.017 0.000 0.766 552 T CA -0.050 62.187 62.100 0.228 0.000 2.007 552 T CB -1.735 67.294 68.868 0.268 0.000 1.727 552 T HN 0.569 nan 8.240 nan 0.000 0.693 553 P HA 0.237 nan 4.420 nan 0.000 0.271 553 P C 0.979 178.139 177.300 -0.233 0.000 1.226 553 P CA 0.124 63.183 63.100 -0.068 0.000 0.765 553 P CB 1.500 33.210 31.700 0.017 0.000 0.835 554 T N 0.964 115.320 114.554 -0.329 0.000 2.638 554 T HA 0.372 4.724 4.350 0.003 0.000 0.169 554 T C 0.997 175.512 174.700 -0.307 0.000 0.790 554 T CA 0.085 61.899 62.100 -0.477 0.000 1.151 554 T CB -0.793 67.625 68.868 -0.750 0.000 2.581 554 T HN 0.325 nan 8.240 nan 0.000 0.391 555 G N 1.911 110.539 108.800 -0.286 0.000 2.441 555 G HA2 0.503 4.464 3.960 0.003 0.000 0.243 555 G HA3 0.503 4.464 3.960 0.003 0.000 0.243 555 G C -1.022 173.661 174.900 -0.361 0.000 1.281 555 G CA -0.480 44.427 45.100 -0.322 0.000 0.854 555 G HN 0.660 nan 8.290 nan 0.000 0.560 556 K N 0.725 120.701 120.400 -0.707 0.000 2.443 556 K HA 0.479 4.800 4.320 0.003 0.000 0.252 556 K C -1.625 174.390 176.600 -0.975 0.000 0.933 556 K CA -0.474 55.515 56.287 -0.497 0.000 0.792 556 K CB 2.352 34.749 32.500 -0.172 0.000 1.185 556 K HN 0.353 nan 8.250 nan 0.000 0.425 557 F N 1.563 121.470 119.950 -0.071 0.000 2.553 557 F HA 0.247 4.777 4.527 0.004 0.000 0.335 557 F C 0.261 175.865 175.800 -0.326 0.000 1.148 557 F CA -0.980 56.929 58.000 -0.151 0.000 0.963 557 F CB 1.412 40.364 39.000 -0.080 0.000 1.217 557 F HN 0.466 nan 8.300 nan 0.000 0.441 558 N N 2.505 120.919 118.700 -0.476 0.000 2.497 558 N HA 0.062 4.804 4.740 0.003 0.000 0.268 558 N C 1.016 176.382 175.510 -0.240 0.000 1.171 558 N CA 0.037 52.626 53.050 -0.769 0.000 0.948 558 N CB 1.469 39.396 38.487 -0.932 0.000 1.069 558 N HN 0.470 nan 8.380 nan 0.000 0.460 559 V N 4.668 124.483 119.914 -0.166 0.000 2.252 559 V HA -0.289 3.833 4.120 0.003 0.000 0.249 559 V C 1.807 177.925 176.094 0.041 0.000 1.056 559 V CA 1.825 64.121 62.300 -0.006 0.000 1.022 559 V CB -1.080 30.769 31.823 0.045 0.000 0.641 559 V HN 0.754 nan 8.190 nan 0.000 0.445 560 Y N 1.625 121.901 120.300 -0.041 0.000 2.145 560 Y HA -0.208 4.346 4.550 0.007 0.000 0.286 560 Y C 2.532 178.456 175.900 0.041 0.000 1.145 560 Y CA 2.045 60.151 58.100 0.011 0.000 1.148 560 Y CB -0.282 38.189 38.460 0.018 0.000 0.981 560 Y HN 0.312 nan 8.280 nan 0.000 0.507 561 N N -0.920 117.872 118.700 0.153 0.000 2.309 561 N HA -0.120 4.621 4.740 0.003 0.000 0.182 561 N C 1.608 177.191 175.510 0.122 0.000 1.018 561 N CA 1.726 54.869 53.050 0.155 0.000 0.876 561 N CB -0.498 38.119 38.487 0.217 0.000 0.972 561 N HN 0.389 nan 8.380 nan 0.000 0.434 562 T N 1.619 116.226 114.554 0.088 0.000 2.894 562 T HA 0.019 4.371 4.350 0.003 0.000 0.258 562 T C 2.034 176.763 174.700 0.048 0.000 1.043 562 T CA 0.758 62.928 62.100 0.117 0.000 1.141 562 T CB -0.065 68.869 68.868 0.110 0.000 0.873 562 T HN 0.361 nan 8.240 nan 0.000 0.449 563 M N 1.985 121.567 119.600 -0.030 0.000 2.296 563 M HA -0.010 4.472 4.480 0.003 0.000 0.265 563 M C 2.026 178.249 176.300 -0.129 0.000 1.064 563 M CA 1.808 57.063 55.300 -0.073 0.000 1.109 563 M CB -1.089 31.455 32.600 -0.094 0.000 1.396 563 M HN 0.215 nan 8.290 nan 0.000 0.430 564 T N -4.003 110.433 114.554 -0.197 0.000 3.069 564 T HA 0.148 4.500 4.350 0.003 0.000 0.252 564 T C -0.037 174.631 174.700 -0.052 0.000 1.053 564 T CA -0.029 61.951 62.100 -0.201 0.000 0.964 564 T CB -0.289 68.340 68.868 -0.399 0.000 1.005 564 T HN 0.449 nan 8.240 nan 0.000 0.532 565 D N 1.382 121.825 120.400 0.072 0.000 2.697 565 D HA -0.110 4.532 4.640 0.003 0.000 0.238 565 D C -0.720 175.529 176.300 -0.084 0.000 1.152 565 D CA 0.906 55.003 54.000 0.162 0.000 0.666 565 D CB -1.907 39.022 40.800 0.215 0.000 1.037 565 D HN 0.428 nan 8.370 nan 0.000 0.423 566 T N 1.274 115.848 114.554 0.035 0.000 2.811 566 T HA 0.488 4.840 4.350 0.003 0.000 0.309 566 T C -0.010 174.739 174.700 0.082 0.000 1.005 566 T CA -0.446 61.644 62.100 -0.016 0.000 0.955 566 T CB 0.240 69.150 68.868 0.070 0.000 0.970 566 T HN 0.267 nan 8.240 nan 0.000 0.496 567 Y N 0.000 120.376 120.300 0.126 0.000 2.660 567 Y HA 0.000 4.551 4.550 0.002 0.000 0.201 567 Y CA 0.000 58.183 58.100 0.139 0.000 1.940 567 Y CB 0.000 38.581 38.460 0.202 0.000 1.050 567 Y HN 0.000 nan 8.280 nan 0.000 0.758