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 1ajq_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNMWVIGKSK AQDAKAIMVN GPQFGWYAPA YTYGIGLHGA GYDVTGNTPF DATA SEQUENCE AYPGLVFGHN GVISWGSTAG FGDDVDIFAE RLSAEKPGYY LHNGKWVKML DATA SEQUENCE SREETITVKN GQAETFTVWR TVHGNILQTD QTTQTAYAKS RAWDGKEVAS DATA SEQUENCE LLAWTHQMKA KNWQQWTQQA AKQALTINWY YADVNGNIGY VHTGAYPDRQ DATA SEQUENCE SGHDPRLPVP GTGKWDWKGL LPFEMNPKVY NPQSGYIANW NNSPQKDYPA DATA SEQUENCE SDLFAFLWGG ADRVTEIDRL LEQKPRLTAD QAWDVIRQTS RQDLNLRLFL DATA SEQUENCE PTLQAATSGL TQSDPRRQLV ETLTRWDGIN LLNDDGKTWQ QPGSAILNVW DATA SEQUENCE LTSMLKRTVV AAVPMPFDKW YSASGYETTQ DGPTGSLNIS VGAKILYEAV DATA SEQUENCE QGDKSPIPQA VDLFAGKPQQ EVVLAALEDT WETLSKRYGN NVSNWKTPAM DATA SEQUENCE ALTFRANNFF GVPQAAAEET RHQAEYQNRG TENDMIVFSP TTSDRPVLAW DATA SEQUENCE DVVAPGQSGF IAPDGTVDKH YEDQLKMYEN FGRKSLWLTK QDVEAHKESQ DATA SEQUENCE EVLHVQR 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.685 174.600 0.141 0.000 1.055 1 S CA 0.000 58.288 58.200 0.146 0.000 1.107 1 S CB 0.000 63.233 63.200 0.055 0.000 0.593 2 N N 0.313 118.885 118.700 -0.214 0.000 2.469 2 N HA 0.875 5.612 4.740 -0.006 0.000 0.286 2 N C -1.190 174.121 175.510 -0.332 0.000 1.275 2 N CA -0.951 51.900 53.050 -0.332 0.000 0.790 2 N CB 1.858 39.826 38.487 -0.864 0.000 1.446 2 N HN 0.516 nan 8.380 nan 0.000 0.501 3 M N 0.531 119.967 119.600 -0.273 0.000 2.333 3 M HA 0.409 4.886 4.480 -0.006 0.000 0.286 3 M C -2.530 173.666 176.300 -0.173 0.000 1.113 3 M CA -0.401 54.617 55.300 -0.470 0.000 0.959 3 M CB 1.365 33.545 32.600 -0.701 0.000 1.776 3 M HN 0.790 nan 8.290 nan 0.000 0.492 4 W N 3.956 125.114 121.300 -0.237 0.000 2.785 4 W HA 0.860 5.517 4.660 -0.005 0.000 0.333 4 W C -1.840 174.630 176.519 -0.082 0.000 1.062 4 W CA -1.324 55.934 57.345 -0.145 0.000 1.233 4 W CB 0.858 30.225 29.460 -0.155 0.000 1.413 4 W HN 0.515 nan 8.180 nan 0.000 0.489 5 V N 4.417 124.437 119.914 0.177 0.000 2.487 5 V HA 0.489 4.606 4.120 -0.006 0.000 0.298 5 V C -0.394 175.821 176.094 0.202 0.000 1.028 5 V CA -1.096 61.291 62.300 0.145 0.000 0.860 5 V CB 1.505 33.430 31.823 0.170 0.000 0.991 5 V HN 0.607 nan 8.190 nan 0.000 0.427 6 I N 3.692 124.359 120.570 0.161 0.000 2.382 6 I HA 0.640 4.807 4.170 -0.006 0.000 0.286 6 I C 0.942 177.123 176.117 0.108 0.000 1.002 6 I CA -0.039 61.351 61.300 0.150 0.000 1.135 6 I CB 1.778 39.851 38.000 0.122 0.000 1.288 6 I HN 0.755 nan 8.210 nan 0.000 0.448 7 G N 4.067 112.922 108.800 0.091 0.000 2.525 7 G HA2 0.233 4.189 3.960 -0.006 0.000 0.287 7 G HA3 0.233 4.189 3.960 -0.006 0.000 0.287 7 G C 0.628 175.548 174.900 0.035 0.000 1.350 7 G CA -0.412 44.714 45.100 0.045 0.000 1.039 7 G HN 0.623 nan 8.290 nan 0.000 0.513 8 K N -0.729 119.677 120.400 0.010 0.000 2.059 8 K HA -0.185 4.132 4.320 -0.006 0.000 0.212 8 K C 2.816 179.422 176.600 0.011 0.000 1.050 8 K CA 2.094 58.387 56.287 0.009 0.000 0.927 8 K CB -0.208 32.286 32.500 -0.010 0.000 0.714 8 K HN 0.479 nan 8.250 nan 0.000 0.447 9 S N -0.015 115.688 115.700 0.006 0.000 2.555 9 S HA -0.014 4.453 4.470 -0.006 0.000 0.230 9 S C 1.484 176.096 174.600 0.021 0.000 0.978 9 S CA 0.753 58.959 58.200 0.009 0.000 0.934 9 S CB 0.192 63.394 63.200 0.002 0.000 0.766 9 S HN 0.177 nan 8.310 nan 0.000 0.533 10 K N 0.257 120.677 120.400 0.034 0.000 2.440 10 K HA 0.427 4.743 4.320 -0.006 0.000 0.207 10 K C 0.231 176.845 176.600 0.024 0.000 1.112 10 K CA 0.257 56.565 56.287 0.034 0.000 1.036 10 K CB 1.183 33.724 32.500 0.068 0.000 0.935 10 K HN 0.408 nan 8.250 nan 0.000 0.564 11 A N 1.591 124.429 122.820 0.030 0.000 2.310 11 A HA 0.335 4.652 4.320 -0.006 0.000 0.299 11 A C -0.494 177.102 177.584 0.020 0.000 1.147 11 A CA -0.152 51.903 52.037 0.031 0.000 0.818 11 A CB 0.921 19.949 19.000 0.046 0.000 1.096 11 A HN 0.094 nan 8.150 nan 0.000 0.495 12 Q N 1.182 120.991 119.800 0.015 0.000 2.322 12 Q HA 0.460 4.797 4.340 -0.006 0.000 0.265 12 Q C -0.889 175.120 176.000 0.014 0.000 0.985 12 Q CA 0.082 55.891 55.803 0.009 0.000 0.849 12 Q CB 0.919 29.655 28.738 -0.002 0.000 1.274 12 Q HN 0.707 nan 8.270 nan 0.000 0.449 13 D N 1.493 121.903 120.400 0.016 0.000 3.041 13 D HA -0.176 4.461 4.640 -0.006 0.000 0.220 13 D C -0.917 175.402 176.300 0.032 0.000 1.157 13 D CA 1.425 55.437 54.000 0.021 0.000 0.876 13 D CB -1.427 39.383 40.800 0.016 0.000 1.107 13 D HN 0.719 nan 8.370 nan 0.000 0.422 14 A N -1.170 121.673 122.820 0.038 0.000 2.483 14 A HA 0.588 4.904 4.320 -0.006 0.000 0.294 14 A C 0.124 177.743 177.584 0.059 0.000 1.077 14 A CA -0.517 51.552 52.037 0.053 0.000 0.633 14 A CB 0.929 19.964 19.000 0.058 0.000 1.318 14 A HN -0.103 nan 8.150 nan 0.000 0.455 15 K N -0.328 120.121 120.400 0.082 0.000 2.367 15 K HA 0.553 4.869 4.320 -0.006 0.000 0.195 15 K C 0.314 176.962 176.600 0.080 0.000 1.060 15 K CA 1.013 57.340 56.287 0.067 0.000 1.022 15 K CB 1.265 33.798 32.500 0.055 0.000 0.894 15 K HN 1.149 nan 8.250 nan 0.000 0.540 16 A N 1.373 124.270 122.820 0.128 0.000 2.594 16 A HA 0.674 4.991 4.320 -0.006 0.000 0.296 16 A C -1.614 176.056 177.584 0.142 0.000 1.061 16 A CA -0.699 51.424 52.037 0.143 0.000 0.689 16 A CB 1.209 20.307 19.000 0.163 0.000 1.280 16 A HN 0.119 nan 8.150 nan 0.000 0.406 17 I N 2.152 122.786 120.570 0.107 0.000 2.571 17 I HA 0.503 4.669 4.170 -0.006 0.000 0.289 17 I C -0.438 175.707 176.117 0.046 0.000 1.115 17 I CA -0.220 61.118 61.300 0.063 0.000 1.045 17 I CB 2.162 40.205 38.000 0.072 0.000 1.238 17 I HN 0.831 nan 8.210 nan 0.000 0.424 18 M N 7.679 127.272 119.600 -0.012 0.000 2.321 18 M HA 0.749 5.226 4.480 -0.006 0.000 0.315 18 M C -2.068 174.128 176.300 -0.173 0.000 1.052 18 M CA -0.463 54.797 55.300 -0.066 0.000 0.936 18 M CB 1.926 34.512 32.600 -0.023 0.000 1.639 18 M HN 0.341 nan 8.290 nan 0.000 0.433 19 V N 4.483 124.152 119.914 -0.408 0.000 2.656 19 V HA 0.551 4.667 4.120 -0.006 0.000 0.307 19 V C -0.939 174.670 176.094 -0.807 0.000 1.051 19 V CA -0.688 61.239 62.300 -0.621 0.000 0.893 19 V CB 2.002 33.208 31.823 -1.029 0.000 0.999 19 V HN 1.010 nan 8.190 nan 0.000 0.426 20 N N 2.003 120.354 118.700 -0.583 0.000 2.310 20 N HA 0.702 5.439 4.740 -0.006 0.000 0.292 20 N C -0.463 174.750 175.510 -0.495 0.000 1.049 20 N CA -0.406 52.347 53.050 -0.496 0.000 0.849 20 N CB 2.108 40.462 38.487 -0.222 0.000 1.532 20 N HN 0.939 nan 8.380 nan 0.000 0.479 21 G N 3.186 111.699 108.800 -0.478 0.000 3.405 21 G HA2 0.314 4.271 3.960 -0.006 0.000 0.318 21 G HA3 0.314 4.271 3.960 -0.006 0.000 0.318 21 G C -2.916 171.781 174.900 -0.338 0.000 1.597 21 G CA -0.911 43.955 45.100 -0.391 0.000 1.022 21 G HN 0.365 nan 8.290 nan 0.000 0.506 22 P HA 0.143 nan 4.420 nan 0.000 0.276 22 P C -0.626 176.291 177.300 -0.638 0.000 1.235 22 P CA 0.103 62.895 63.100 -0.513 0.000 0.772 22 P CB 1.625 32.972 31.700 -0.590 0.000 0.871 23 Q N 2.413 121.853 119.800 -0.599 0.000 2.372 23 Q HA 0.339 4.676 4.340 -0.006 0.000 0.259 23 Q C -0.567 175.065 176.000 -0.613 0.000 0.993 23 Q CA -0.298 55.202 55.803 -0.505 0.000 0.854 23 Q CB 0.865 29.493 28.738 -0.184 0.000 1.231 23 Q HN 0.448 nan 8.270 nan 0.000 0.462 24 F N 0.684 120.332 119.950 -0.503 0.000 2.724 24 F HA 0.370 4.893 4.527 -0.005 0.000 0.310 24 F C 0.979 176.497 175.800 -0.470 0.000 1.107 24 F CA 0.123 57.788 58.000 -0.558 0.000 1.218 24 F CB 1.167 39.468 39.000 -1.164 0.000 1.042 24 F HN 0.739 nan 8.300 nan 0.000 0.540 25 G N -0.411 108.081 108.800 -0.514 0.000 2.592 25 G HA2 -0.141 3.815 3.960 -0.006 0.000 0.684 25 G HA3 -0.141 3.815 3.960 -0.006 0.000 0.684 25 G C -1.313 173.069 174.900 -0.863 0.000 1.291 25 G CA -1.147 43.660 45.100 -0.488 0.000 0.891 25 G HN 0.073 nan 8.290 nan 0.000 0.544 26 W N -0.218 120.669 121.300 -0.688 0.000 2.781 26 W HA 0.635 5.291 4.660 -0.006 0.000 0.333 26 W C -1.079 174.987 176.519 -0.754 0.000 1.047 26 W CA -0.741 56.221 57.345 -0.640 0.000 1.236 26 W CB 2.012 30.929 29.460 -0.905 0.000 1.394 26 W HN 0.582 nan 8.180 nan 0.000 0.466 27 Y N 0.686 121.156 120.300 0.283 0.000 2.581 27 Y HA 0.658 5.205 4.550 -0.006 0.000 0.345 27 Y C -0.158 175.904 175.900 0.269 0.000 1.036 27 Y CA -1.291 56.966 58.100 0.261 0.000 1.042 27 Y CB 2.051 40.636 38.460 0.207 0.000 1.289 27 Y HN 0.361 nan 8.280 nan 0.000 0.471 28 A N 2.843 125.854 122.820 0.318 0.000 2.353 28 A HA 0.773 5.090 4.320 -0.006 0.000 0.299 28 A C -3.040 174.609 177.584 0.108 0.000 1.089 28 A CA -1.905 50.208 52.037 0.127 0.000 0.736 28 A CB 0.991 20.020 19.000 0.048 0.000 1.195 28 A HN 0.345 nan 8.150 nan 0.000 0.447 29 P HA 0.369 nan 4.420 nan 0.000 0.274 29 P C 0.267 177.597 177.300 0.049 0.000 1.256 29 P CA -0.176 62.923 63.100 -0.002 0.000 0.795 29 P CB 0.553 32.256 31.700 0.005 0.000 1.038 30 A N 0.520 123.352 122.820 0.020 0.000 2.565 30 A HA -0.108 4.209 4.320 -0.006 0.000 0.237 30 A C 0.964 178.547 177.584 -0.002 0.000 1.053 30 A CA 0.177 52.248 52.037 0.057 0.000 0.755 30 A CB -1.003 18.001 19.000 0.007 0.000 0.980 30 A HN 0.658 nan 8.150 nan 0.000 0.506 31 Y N 2.676 122.924 120.300 -0.088 0.000 2.224 31 Y HA -0.091 4.456 4.550 -0.005 0.000 0.289 31 Y C 1.798 177.461 175.900 -0.394 0.000 1.146 31 Y CA 2.177 60.079 58.100 -0.330 0.000 1.182 31 Y CB -0.022 38.304 38.460 -0.222 0.000 0.983 31 Y HN 0.787 nan 8.280 nan 0.000 0.524 32 T N -2.641 111.885 114.554 -0.047 0.000 2.948 32 T HA 0.369 4.716 4.350 -0.006 0.000 0.285 32 T C -1.544 173.158 174.700 0.004 0.000 1.019 32 T CA -0.609 61.461 62.100 -0.050 0.000 1.013 32 T CB 1.893 70.828 68.868 0.113 0.000 1.117 32 T HN 0.113 nan 8.240 nan 0.000 0.533 33 Y N -0.253 119.981 120.300 -0.110 0.000 2.386 33 Y HA 0.585 5.131 4.550 -0.006 0.000 0.334 33 Y C -0.059 175.812 175.900 -0.048 0.000 1.002 33 Y CA -0.692 57.352 58.100 -0.092 0.000 1.068 33 Y CB 1.547 39.931 38.460 -0.127 0.000 1.203 33 Y HN 1.137 nan 8.280 nan 0.000 0.443 34 G N 5.073 113.523 108.800 -0.584 0.000 2.377 34 G HA2 0.559 4.516 3.960 -0.006 0.000 0.299 34 G HA3 0.559 4.516 3.960 -0.006 0.000 0.299 34 G C -1.765 172.931 174.900 -0.341 0.000 1.150 34 G CA -0.476 44.433 45.100 -0.318 0.000 0.847 34 G HN 0.759 nan 8.290 nan 0.000 0.501 35 I N 0.593 121.101 120.570 -0.104 0.000 2.753 35 I HA 0.644 4.811 4.170 -0.006 0.000 0.291 35 I C -0.241 175.863 176.117 -0.021 0.000 1.425 35 I CA -0.335 60.958 61.300 -0.012 0.000 1.039 35 I CB 1.997 40.078 38.000 0.136 0.000 1.349 35 I HN 0.772 nan 8.210 nan 0.000 0.430 36 G N 7.189 115.975 108.800 -0.022 0.000 2.461 36 G HA2 0.727 4.683 3.960 -0.006 0.000 0.323 36 G HA3 0.727 4.683 3.960 -0.006 0.000 0.323 36 G C -1.738 173.006 174.900 -0.260 0.000 1.229 36 G CA -0.665 44.373 45.100 -0.103 0.000 0.941 36 G HN 0.612 nan 8.290 nan 0.000 0.477 37 L N 2.789 123.698 121.223 -0.522 0.000 2.406 37 L HA 0.452 4.788 4.340 -0.006 0.000 0.272 37 L C -0.973 175.587 176.870 -0.517 0.000 0.980 37 L CA -0.910 53.703 54.840 -0.377 0.000 0.831 37 L CB 2.157 44.088 42.059 -0.212 0.000 1.253 37 L HN 0.487 nan 8.230 nan 0.000 0.406 38 H N 2.928 122.048 119.070 0.084 0.000 2.991 38 H HA 0.713 5.265 4.556 -0.006 0.000 0.304 38 H C 0.026 175.416 175.328 0.102 0.000 1.040 38 H CA -0.573 55.534 56.048 0.098 0.000 1.410 38 H CB 2.066 31.868 29.762 0.066 0.000 1.529 38 H HN 0.832 nan 8.280 nan 0.000 0.509 39 G N 0.337 109.266 108.800 0.215 0.000 2.345 39 G HA2 0.377 4.334 3.960 -0.006 0.000 0.310 39 G HA3 0.377 4.334 3.960 -0.006 0.000 0.310 39 G C -0.241 174.785 174.900 0.211 0.000 1.476 39 G CA -0.260 44.945 45.100 0.174 0.000 0.978 39 G HN 0.874 nan 8.290 nan 0.000 0.656 40 A N -1.083 121.824 122.820 0.146 0.000 2.822 40 A HA 0.382 4.699 4.320 -0.006 0.000 0.287 40 A C 2.504 180.120 177.584 0.054 0.000 1.479 40 A CA 2.145 54.260 52.037 0.130 0.000 0.779 40 A CB -1.520 17.602 19.000 0.203 0.000 1.022 40 A HN 3.256 nan 8.150 nan 0.000 0.532 41 G N -3.827 104.971 108.800 -0.003 0.000 2.199 41 G HA2 -0.266 3.690 3.960 -0.006 0.000 0.254 41 G HA3 -0.266 3.690 3.960 -0.006 0.000 0.254 41 G C 0.000 174.784 174.900 -0.194 0.000 0.982 41 G CA 0.737 45.759 45.100 -0.130 0.000 0.632 41 G HN 1.512 nan 8.290 nan 0.000 0.529 42 Y N 0.486 120.825 120.300 0.065 0.000 2.334 42 Y HA 0.629 5.175 4.550 -0.007 0.000 0.328 42 Y C 0.151 176.091 175.900 0.066 0.000 1.130 42 Y CA -0.804 57.333 58.100 0.062 0.000 1.163 42 Y CB 1.895 40.377 38.460 0.036 0.000 1.207 42 Y HN 0.037 nan 8.280 nan 0.000 0.471 43 D N 2.075 122.619 120.400 0.238 0.000 2.668 43 D HA 0.325 4.961 4.640 -0.006 0.000 0.247 43 D C -1.595 174.778 176.300 0.122 0.000 1.268 43 D CA -0.111 54.005 54.000 0.194 0.000 0.842 43 D CB 0.371 41.306 40.800 0.226 0.000 1.399 43 D HN 0.327 nan 8.370 nan 0.000 0.530 44 V N -0.837 119.058 119.914 -0.031 0.000 3.074 44 V HA 0.964 5.081 4.120 -0.006 0.000 0.314 44 V C -0.397 175.610 176.094 -0.145 0.000 1.117 44 V CA -0.497 61.802 62.300 -0.002 0.000 1.014 44 V CB 2.121 34.053 31.823 0.181 0.000 1.057 44 V HN 0.207 nan 8.190 nan 0.000 0.438 45 T N 0.705 115.145 114.554 -0.189 0.000 3.041 45 T HA 0.856 5.203 4.350 -0.006 0.000 0.321 45 T C -0.249 174.358 174.700 -0.155 0.000 1.184 45 T CA 0.558 62.557 62.100 -0.169 0.000 1.050 45 T CB 0.996 69.760 68.868 -0.173 0.000 1.159 45 T HN 2.180 nan 8.240 nan 0.000 0.469 46 G N 3.217 111.974 108.800 -0.072 0.000 2.367 46 G HA2 0.449 4.406 3.960 -0.006 0.000 0.272 46 G HA3 0.449 4.406 3.960 -0.006 0.000 0.272 46 G C -1.919 172.999 174.900 0.029 0.000 1.271 46 G CA -0.155 44.937 45.100 -0.014 0.000 0.893 46 G HN 1.215 nan 8.290 nan 0.000 0.485 47 N N -1.800 116.975 118.700 0.125 0.000 2.484 47 N HA 0.719 5.456 4.740 -0.006 0.000 0.269 47 N C -1.161 174.497 175.510 0.247 0.000 1.237 47 N CA -0.101 53.030 53.050 0.135 0.000 0.838 47 N CB 2.481 41.018 38.487 0.083 0.000 1.593 47 N HN 0.754 nan 8.380 nan 0.000 0.485 48 T N 0.094 114.740 114.554 0.154 0.000 2.982 48 T HA 0.539 4.886 4.350 -0.006 0.000 0.321 48 T C -3.097 171.517 174.700 -0.143 0.000 1.229 48 T CA -1.356 60.768 62.100 0.039 0.000 1.044 48 T CB 1.299 70.140 68.868 -0.044 0.000 1.184 48 T HN 0.472 nan 8.240 nan 0.000 0.477 49 P HA 0.269 nan 4.420 nan 0.000 0.265 49 P C 0.066 176.800 177.300 -0.943 0.000 1.193 49 P CA 0.278 62.985 63.100 -0.654 0.000 0.765 49 P CB -0.314 31.036 31.700 -0.583 0.000 0.823 50 F N 1.107 120.572 119.950 -0.807 0.000 3.100 50 F HA -0.279 4.245 4.527 -0.006 0.000 0.284 50 F C 1.285 176.783 175.800 -0.503 0.000 0.875 50 F CA 0.963 58.594 58.000 -0.615 0.000 1.039 50 F CB -2.473 36.195 39.000 -0.554 0.000 1.111 50 F HN 0.584 nan 8.300 nan 0.000 0.575 51 A N -2.373 120.257 122.820 -0.317 0.000 2.745 51 A HA -0.250 4.067 4.320 -0.006 0.000 0.296 51 A C 0.560 178.066 177.584 -0.130 0.000 1.500 51 A CA 0.920 52.816 52.037 -0.235 0.000 0.766 51 A CB -2.354 16.367 19.000 -0.466 0.000 1.030 51 A HN 0.547 nan 8.150 nan 0.000 0.489 52 Y N -1.424 118.820 120.300 -0.094 0.000 2.709 52 Y HA 0.185 4.731 4.550 -0.006 0.000 0.348 52 Y C -0.347 175.481 175.900 -0.120 0.000 1.267 52 Y CA -0.631 57.392 58.100 -0.129 0.000 1.486 52 Y CB -0.477 37.865 38.460 -0.197 0.000 1.356 52 Y HN 0.204 nan 8.280 nan 0.000 0.639 53 P HA -0.057 nan 4.420 nan 0.000 0.216 53 P C 0.381 177.652 177.300 -0.049 0.000 1.150 53 P CA 1.620 64.698 63.100 -0.036 0.000 0.837 53 P CB 0.172 31.833 31.700 -0.066 0.000 0.786 54 G N -0.146 108.644 108.800 -0.016 0.000 2.348 54 G HA2 0.457 4.414 3.960 -0.006 0.000 0.312 54 G HA3 0.457 4.414 3.960 -0.006 0.000 0.312 54 G C -1.037 173.868 174.900 0.009 0.000 1.126 54 G CA -0.305 44.792 45.100 -0.005 0.000 0.865 54 G HN -0.061 nan 8.290 nan 0.000 0.474 55 L N 2.700 123.971 121.223 0.080 0.000 2.325 55 L HA 0.152 4.488 4.340 -0.006 0.000 0.284 55 L C 1.464 178.446 176.870 0.186 0.000 1.089 55 L CA 0.093 55.025 54.840 0.154 0.000 0.836 55 L CB 1.594 43.849 42.059 0.328 0.000 1.184 55 L HN 0.344 nan 8.230 nan 0.000 0.444 56 V N 3.707 123.516 119.914 -0.175 0.000 2.809 56 V HA -0.065 4.052 4.120 -0.006 0.000 0.256 56 V C 0.087 175.937 176.094 -0.407 0.000 1.080 56 V CA 1.083 63.126 62.300 -0.428 0.000 1.102 56 V CB -0.750 30.520 31.823 -0.922 0.000 0.705 56 V HN 0.456 nan 8.190 nan 0.000 0.475 57 F N -0.499 119.651 119.950 0.334 0.000 2.536 57 F HA 0.796 5.319 4.527 -0.006 0.000 0.322 57 F C 0.453 176.196 175.800 -0.095 0.000 1.144 57 F CA -0.367 57.701 58.000 0.114 0.000 0.924 57 F CB 1.648 40.699 39.000 0.085 0.000 1.181 57 F HN 0.026 nan 8.300 nan 0.000 0.438 58 G N 1.665 110.187 108.800 -0.463 0.000 2.333 58 G HA2 0.473 4.430 3.960 -0.006 0.000 0.288 58 G HA3 0.473 4.430 3.960 -0.006 0.000 0.288 58 G C -2.190 171.976 174.900 -1.223 0.000 1.286 58 G CA -0.678 44.094 45.100 -0.546 0.000 0.865 58 G HN 1.052 nan 8.290 nan 0.000 0.506 59 H N -2.116 116.422 119.070 -0.887 0.000 2.990 59 H HA 0.732 5.285 4.556 -0.005 0.000 0.336 59 H C -0.095 175.125 175.328 -0.180 0.000 1.306 59 H CA -0.368 55.214 56.048 -0.776 0.000 1.118 59 H CB 1.528 31.057 29.762 -0.388 0.000 1.856 59 H HN 0.605 nan 8.280 nan 0.000 0.538 60 N N -0.318 118.460 118.700 0.129 0.000 2.299 60 N HA 0.223 4.960 4.740 -0.006 0.000 0.246 60 N C 1.089 176.754 175.510 0.258 0.000 1.254 60 N CA -0.032 53.141 53.050 0.206 0.000 0.879 60 N CB 0.889 39.622 38.487 0.409 0.000 1.214 60 N HN 1.249 nan 8.380 nan 0.000 0.510 61 G N -0.815 108.258 108.800 0.454 0.000 2.245 61 G HA2 -0.342 3.614 3.960 -0.006 0.000 0.264 61 G HA3 -0.342 3.614 3.960 -0.006 0.000 0.264 61 G C 0.580 175.728 174.900 0.413 0.000 0.985 61 G CA 0.776 46.138 45.100 0.437 0.000 0.625 61 G HN 0.308 nan 8.290 nan 0.000 0.536 62 V N 0.641 120.759 119.914 0.340 0.000 2.948 62 V HA 0.459 4.576 4.120 -0.006 0.000 0.234 62 V C 1.172 177.207 176.094 -0.098 0.000 1.205 62 V CA 1.476 63.859 62.300 0.139 0.000 1.234 62 V CB 0.233 32.128 31.823 0.120 0.000 1.020 62 V HN 0.783 nan 8.190 nan 0.000 0.491 63 I N -0.752 119.876 120.570 0.097 0.000 2.846 63 I HA 0.863 5.030 4.170 -0.006 0.000 0.307 63 I C -0.427 175.843 176.117 0.255 0.000 1.053 63 I CA -0.420 60.828 61.300 -0.087 0.000 1.050 63 I CB 2.417 40.344 38.000 -0.122 0.000 1.239 63 I HN 0.177 nan 8.210 nan 0.000 0.439 64 S N 2.153 117.928 115.700 0.125 0.000 2.634 64 S HA 0.858 5.324 4.470 -0.006 0.000 0.296 64 S C -1.297 173.349 174.600 0.077 0.000 1.104 64 S CA -0.649 57.561 58.200 0.017 0.000 0.920 64 S CB 1.416 64.602 63.200 -0.023 0.000 1.111 64 S HN 1.011 nan 8.310 nan 0.000 0.493 65 W N -0.856 120.495 121.300 0.086 0.000 3.075 65 W HA 0.893 5.549 4.660 -0.006 0.000 0.334 65 W C -0.443 176.210 176.519 0.223 0.000 1.243 65 W CA -0.766 56.657 57.345 0.131 0.000 1.170 65 W CB 0.877 30.437 29.460 0.167 0.000 1.452 65 W HN 1.082 nan 8.180 nan 0.000 0.572 66 G N 0.125 109.266 108.800 0.569 0.000 2.559 66 G HA2 0.575 4.531 3.960 -0.006 0.000 0.291 66 G HA3 0.575 4.531 3.960 -0.006 0.000 0.291 66 G C -1.941 173.383 174.900 0.706 0.000 1.424 66 G CA -0.878 44.567 45.100 0.575 0.000 0.786 66 G HN 0.628 nan 8.290 nan 0.000 0.485 67 S N -1.339 114.808 115.700 0.746 0.000 2.627 67 S HA 0.916 5.383 4.470 -0.006 0.000 0.283 67 S C -0.352 174.701 174.600 0.755 0.000 1.127 67 S CA -0.114 58.574 58.200 0.813 0.000 0.863 67 S CB 2.028 65.681 63.200 0.754 0.000 1.121 67 S HN 1.408 nan 8.310 nan 0.000 0.479 68 T N -0.909 114.096 114.554 0.751 0.000 2.896 68 T HA 0.814 5.161 4.350 -0.006 0.000 0.297 68 T C -0.387 174.601 174.700 0.480 0.000 1.108 68 T CA -0.795 61.628 62.100 0.539 0.000 1.004 68 T CB 1.349 70.527 68.868 0.517 0.000 1.159 68 T HN 0.768 nan 8.240 nan 0.000 0.499 69 A N 0.715 123.758 122.820 0.372 0.000 2.511 69 A HA 0.568 4.885 4.320 -0.006 0.000 0.242 69 A C 1.484 179.248 177.584 0.300 0.000 1.069 69 A CA 0.085 52.248 52.037 0.210 0.000 0.763 69 A CB -0.388 18.590 19.000 -0.037 0.000 1.001 69 A HN 1.294 nan 8.150 nan 0.000 0.498 70 G N 0.343 109.265 108.800 0.202 0.000 2.453 70 G HA2 0.236 4.192 3.960 -0.006 0.000 0.215 70 G HA3 0.236 4.192 3.960 -0.006 0.000 0.215 70 G C 0.393 175.690 174.900 0.660 0.000 1.147 70 G CA 0.453 45.845 45.100 0.486 0.000 0.802 70 G HN 0.873 nan 8.290 nan 0.000 0.535 71 F N -0.026 120.124 119.950 0.334 0.000 3.093 71 F HA -0.179 4.344 4.527 -0.005 0.000 0.287 71 F C 1.581 177.484 175.800 0.172 0.000 0.882 71 F CA -0.109 57.926 58.000 0.058 0.000 1.063 71 F CB -1.598 37.150 39.000 -0.420 0.000 1.097 71 F HN 0.322 nan 8.300 nan 0.000 0.604 72 G N -0.207 108.920 108.800 0.545 0.000 2.621 72 G HA2 0.357 4.314 3.960 -0.006 0.000 0.271 72 G HA3 0.357 4.314 3.960 -0.006 0.000 0.271 72 G C -0.686 174.395 174.900 0.302 0.000 1.236 72 G CA -0.131 45.288 45.100 0.533 0.000 0.958 72 G HN 0.187 nan 8.290 nan 0.000 0.512 73 D N -0.252 120.265 120.400 0.195 0.000 2.428 73 D HA 0.214 4.851 4.640 -0.006 0.000 0.221 73 D C -0.083 176.359 176.300 0.237 0.000 1.123 73 D CA -0.666 53.418 54.000 0.140 0.000 0.869 73 D CB 0.989 41.798 40.800 0.015 0.000 1.032 73 D HN 0.295 nan 8.370 nan 0.000 0.506 74 D N 2.049 122.597 120.400 0.246 0.000 2.535 74 D HA 0.091 4.727 4.640 -0.006 0.000 0.229 74 D C -0.361 176.043 176.300 0.172 0.000 1.238 74 D CA -0.266 53.840 54.000 0.176 0.000 0.824 74 D CB 0.100 40.979 40.800 0.131 0.000 1.045 74 D HN 0.058 nan 8.370 nan 0.000 0.500 75 V N 0.763 120.800 119.914 0.206 0.000 2.638 75 V HA 0.481 4.597 4.120 -0.006 0.000 0.306 75 V C -1.019 175.236 176.094 0.268 0.000 1.052 75 V CA -0.685 61.756 62.300 0.235 0.000 0.885 75 V CB 2.248 34.173 31.823 0.171 0.000 0.999 75 V HN 0.019 nan 8.190 nan 0.000 0.424 76 D N 3.304 123.915 120.400 0.352 0.000 2.552 76 D HA 0.565 5.201 4.640 -0.006 0.000 0.239 76 D C -1.082 175.291 176.300 0.121 0.000 1.139 76 D CA -0.408 53.734 54.000 0.237 0.000 0.914 76 D CB 2.628 43.611 40.800 0.306 0.000 1.461 76 D HN 0.171 nan 8.370 nan 0.000 0.462 77 I N 1.011 121.567 120.570 -0.024 0.000 2.404 77 I HA 0.363 4.529 4.170 -0.006 0.000 0.293 77 I C -0.618 175.402 176.117 -0.162 0.000 0.992 77 I CA -0.471 60.832 61.300 0.006 0.000 1.149 77 I CB 0.670 38.688 38.000 0.029 0.000 1.315 77 I HN 0.188 nan 8.210 nan 0.000 0.446 78 F N 3.932 123.827 119.950 -0.091 0.000 2.427 78 F HA 0.564 5.088 4.527 -0.006 0.000 0.346 78 F C 0.660 176.376 175.800 -0.142 0.000 1.120 78 F CA -0.718 57.142 58.000 -0.235 0.000 1.033 78 F CB 1.764 40.363 39.000 -0.668 0.000 1.126 78 F HN 0.496 nan 8.300 nan 0.000 0.462 79 A N 3.878 126.685 122.820 -0.021 0.000 2.316 79 A HA 0.447 4.764 4.320 -0.006 0.000 0.311 79 A C -0.205 177.303 177.584 -0.125 0.000 1.339 79 A CA -0.652 51.281 52.037 -0.174 0.000 0.960 79 A CB -0.163 18.743 19.000 -0.157 0.000 1.152 79 A HN 0.602 nan 8.150 nan 0.000 0.547 80 E N 1.901 122.014 120.200 -0.144 0.000 2.227 80 E HA 0.134 4.481 4.350 -0.006 0.000 0.282 80 E C -0.205 176.384 176.600 -0.019 0.000 1.015 80 E CA -0.492 55.885 56.400 -0.038 0.000 0.823 80 E CB 1.496 31.156 29.700 -0.067 0.000 1.081 80 E HN 0.625 nan 8.360 nan 0.000 0.396 81 R N 4.232 124.766 120.500 0.057 0.000 2.291 81 R HA 0.178 4.515 4.340 -0.006 0.000 0.333 81 R C -0.022 176.407 176.300 0.216 0.000 1.082 81 R CA -0.089 56.061 56.100 0.083 0.000 0.948 81 R CB -0.118 30.204 30.300 0.036 0.000 1.009 81 R HN 0.425 nan 8.270 nan 0.000 0.460 82 L N 1.463 122.807 121.223 0.201 0.000 2.567 82 L HA 0.431 4.768 4.340 -0.006 0.000 0.238 82 L C 0.392 177.453 176.870 0.319 0.000 1.168 82 L CA -0.723 54.282 54.840 0.275 0.000 0.817 82 L CB 1.160 43.277 42.059 0.097 0.000 1.409 82 L HN 0.500 nan 8.230 nan 0.000 0.502 83 S N -1.413 114.374 115.700 0.144 0.000 2.668 83 S HA 0.505 4.971 4.470 -0.006 0.000 0.277 83 S C 0.368 174.911 174.600 -0.095 0.000 1.170 83 S CA -0.085 58.081 58.200 -0.056 0.000 0.994 83 S CB 1.666 64.546 63.200 -0.534 0.000 1.051 83 S HN 0.686 nan 8.310 nan 0.000 0.484 84 A N 3.570 126.350 122.820 -0.067 0.000 1.927 84 A HA -0.087 4.229 4.320 -0.006 0.000 0.220 84 A C 0.931 178.460 177.584 -0.091 0.000 1.185 84 A CA 1.832 53.832 52.037 -0.062 0.000 0.639 84 A CB -0.666 18.308 19.000 -0.044 0.000 0.820 84 A HN 0.938 nan 8.150 nan 0.000 0.451 85 E N -0.022 120.094 120.200 -0.141 0.000 2.079 85 E HA 0.426 4.772 4.350 -0.006 0.000 0.252 85 E C -0.391 176.056 176.600 -0.255 0.000 0.992 85 E CA -0.362 55.938 56.400 -0.168 0.000 0.829 85 E CB 0.207 29.806 29.700 -0.169 0.000 1.158 85 E HN 0.344 nan 8.360 nan 0.000 0.435 86 K N 2.199 122.488 120.400 -0.185 0.000 2.475 86 K HA -0.015 4.302 4.320 -0.006 0.000 0.377 86 K C -3.013 173.556 176.600 -0.051 0.000 1.155 86 K CA -0.373 55.794 56.287 -0.199 0.000 0.637 86 K CB -1.295 30.949 32.500 -0.425 0.000 2.099 86 K HN 0.402 nan 8.250 nan 0.000 0.493 87 P HA 0.233 nan 4.420 nan 0.000 0.272 87 P C 0.955 178.336 177.300 0.134 0.000 1.223 87 P CA 1.740 64.854 63.100 0.023 0.000 0.784 87 P CB 0.765 32.445 31.700 -0.034 0.000 0.923 88 G N -0.270 108.528 108.800 -0.003 0.000 2.176 88 G HA2 -0.196 3.760 3.960 -0.006 0.000 0.232 88 G HA3 -0.196 3.760 3.960 -0.006 0.000 0.232 88 G C -0.505 174.405 174.900 0.016 0.000 0.986 88 G CA -0.281 44.810 45.100 -0.016 0.000 0.643 88 G HN 0.459 nan 8.290 nan 0.000 0.522 89 Y N -0.256 120.125 120.300 0.135 0.000 2.549 89 Y HA 0.735 5.282 4.550 -0.005 0.000 0.339 89 Y C 0.183 176.346 175.900 0.438 0.000 1.053 89 Y CA -1.266 56.986 58.100 0.253 0.000 1.105 89 Y CB 1.618 40.207 38.460 0.216 0.000 1.258 89 Y HN 0.450 nan 8.280 nan 0.000 0.478 90 Y N -0.390 120.176 120.300 0.444 0.000 2.571 90 Y HA 0.649 5.195 4.550 -0.006 0.000 0.341 90 Y C -1.869 174.091 175.900 0.100 0.000 1.076 90 Y CA -1.862 56.422 58.100 0.307 0.000 1.029 90 Y CB 0.694 39.225 38.460 0.118 0.000 1.308 90 Y HN 0.459 nan 8.280 nan 0.000 0.461 91 L N 4.666 125.731 121.223 -0.263 0.000 2.369 91 L HA 0.347 4.684 4.340 -0.006 0.000 0.279 91 L C -0.731 176.045 176.870 -0.156 0.000 1.108 91 L CA 0.432 54.889 54.840 -0.638 0.000 0.852 91 L CB -0.487 40.990 42.059 -0.969 0.000 1.169 91 L HN 0.895 nan 8.230 nan 0.000 0.452 92 H N 5.041 123.920 119.070 -0.318 0.000 2.782 92 H HA 0.236 4.788 4.556 -0.006 0.000 0.347 92 H C -0.095 175.141 175.328 -0.153 0.000 1.038 92 H CA -0.619 55.347 56.048 -0.137 0.000 1.255 92 H CB 0.826 30.540 29.762 -0.081 0.000 1.623 92 H HN 0.779 nan 8.280 nan 0.000 0.525 93 N N 3.252 121.659 118.700 -0.488 0.000 2.698 93 N HA -0.268 4.468 4.740 -0.006 0.000 0.258 93 N C 0.990 176.352 175.510 -0.247 0.000 0.978 93 N CA 0.826 53.640 53.050 -0.394 0.000 0.777 93 N CB -0.712 37.484 38.487 -0.485 0.000 0.907 93 N HN 1.023 nan 8.380 nan 0.000 0.543 94 G N -0.979 107.687 108.800 -0.224 0.000 2.205 94 G HA2 -0.369 3.588 3.960 -0.006 0.000 0.261 94 G HA3 -0.369 3.588 3.960 -0.006 0.000 0.261 94 G C -0.046 174.740 174.900 -0.190 0.000 0.980 94 G CA 1.019 46.007 45.100 -0.187 0.000 0.632 94 G HN 0.581 nan 8.290 nan 0.000 0.533 95 K N -1.091 119.185 120.400 -0.207 0.000 2.350 95 K HA 0.594 4.910 4.320 -0.006 0.000 0.241 95 K C -1.127 175.354 176.600 -0.198 0.000 0.994 95 K CA -1.217 54.993 56.287 -0.129 0.000 0.839 95 K CB 1.480 33.951 32.500 -0.050 0.000 1.244 95 K HN 0.054 nan 8.250 nan 0.000 0.443 96 W N 1.594 122.878 121.300 -0.028 0.000 2.311 96 W HA 0.302 4.959 4.660 -0.006 0.000 0.317 96 W C -0.440 176.133 176.519 0.090 0.000 1.065 96 W CA -0.541 56.807 57.345 0.005 0.000 1.364 96 W CB 1.020 30.477 29.460 -0.006 0.000 1.233 96 W HN 0.120 nan 8.180 nan 0.000 0.409 97 V N 4.115 124.027 119.914 -0.004 0.000 2.567 97 V HA 0.234 4.351 4.120 -0.006 0.000 0.289 97 V C 0.414 176.335 176.094 -0.288 0.000 1.049 97 V CA -1.416 60.762 62.300 -0.202 0.000 0.969 97 V CB 1.277 32.768 31.823 -0.553 0.000 0.995 97 V HN 0.338 nan 8.190 nan 0.000 0.471 98 K N 3.575 123.782 120.400 -0.322 0.000 2.218 98 K HA 0.457 4.774 4.320 -0.006 0.000 0.276 98 K C -0.232 176.342 176.600 -0.043 0.000 1.022 98 K CA -0.409 55.539 56.287 -0.564 0.000 0.946 98 K CB 0.684 32.874 32.500 -0.517 0.000 1.000 98 K HN 0.614 nan 8.250 nan 0.000 0.468 99 M N 3.813 123.472 119.600 0.098 0.000 2.255 99 M HA 0.208 4.684 4.480 -0.006 0.000 0.336 99 M C -0.194 176.201 176.300 0.159 0.000 1.135 99 M CA -0.512 54.950 55.300 0.270 0.000 1.145 99 M CB 0.831 33.682 32.600 0.418 0.000 1.473 99 M HN 0.422 nan 8.290 nan 0.000 0.462 100 L N 1.435 122.715 121.223 0.095 0.000 2.452 100 L HA 0.351 4.687 4.340 -0.006 0.000 0.267 100 L C 0.210 177.043 176.870 -0.060 0.000 1.188 100 L CA -0.180 54.660 54.840 -0.001 0.000 0.821 100 L CB 0.649 42.691 42.059 -0.029 0.000 1.102 100 L HN 0.818 nan 8.230 nan 0.000 0.470 101 S N 1.968 117.527 115.700 -0.235 0.000 2.550 101 S HA 0.807 5.273 4.470 -0.006 0.000 0.270 101 S C -0.991 173.361 174.600 -0.412 0.000 1.145 101 S CA -1.108 56.769 58.200 -0.537 0.000 0.852 101 S CB 2.590 65.127 63.200 -1.105 0.000 1.119 101 S HN 0.806 nan 8.310 nan 0.000 0.465 102 R N 0.670 120.905 120.500 -0.441 0.000 2.707 102 R HA 0.642 4.978 4.340 -0.006 0.000 0.272 102 R C -1.551 174.517 176.300 -0.387 0.000 1.011 102 R CA -0.762 55.141 56.100 -0.328 0.000 0.893 102 R CB 1.568 31.723 30.300 -0.243 0.000 1.233 102 R HN 0.711 nan 8.270 nan 0.000 0.464 103 E N 1.223 121.230 120.200 -0.321 0.000 2.204 103 E HA 0.223 4.570 4.350 -0.006 0.000 0.276 103 E C -0.945 175.435 176.600 -0.368 0.000 0.974 103 E CA -0.722 55.472 56.400 -0.342 0.000 0.815 103 E CB 1.472 31.036 29.700 -0.227 0.000 1.119 103 E HN 0.410 nan 8.360 nan 0.000 0.393 104 E N 1.624 121.504 120.200 -0.532 0.000 2.266 104 E HA 0.356 4.703 4.350 -0.006 0.000 0.268 104 E C -1.195 175.267 176.600 -0.230 0.000 0.879 104 E CA -0.648 55.496 56.400 -0.426 0.000 0.762 104 E CB 2.322 31.647 29.700 -0.625 0.000 1.199 104 E HN 0.355 nan 8.360 nan 0.000 0.422 105 T N 2.501 117.011 114.554 -0.073 0.000 2.807 105 T HA 0.457 4.803 4.350 -0.006 0.000 0.279 105 T C 0.055 174.789 174.700 0.058 0.000 0.993 105 T CA -0.626 61.483 62.100 0.015 0.000 0.970 105 T CB 0.714 69.579 68.868 -0.005 0.000 0.950 105 T HN 0.194 nan 8.240 nan 0.000 0.441 106 I N 3.671 124.304 120.570 0.105 0.000 2.307 106 I HA 0.253 4.420 4.170 -0.006 0.000 0.289 106 I C 0.885 177.030 176.117 0.047 0.000 1.021 106 I CA -0.482 60.870 61.300 0.087 0.000 1.224 106 I CB 0.567 38.630 38.000 0.105 0.000 1.376 106 I HN 0.559 nan 8.210 nan 0.000 0.470 107 T N 5.879 120.449 114.554 0.026 0.000 2.913 107 T HA 0.466 4.813 4.350 -0.006 0.000 0.297 107 T C 0.214 174.922 174.700 0.013 0.000 1.029 107 T CA -0.239 61.870 62.100 0.015 0.000 1.104 107 T CB 1.575 70.447 68.868 0.006 0.000 0.964 107 T HN 0.302 nan 8.240 nan 0.000 0.532 108 V N 3.440 123.361 119.914 0.011 0.000 2.482 108 V HA 0.352 4.468 4.120 -0.006 0.000 0.295 108 V C -0.019 176.078 176.094 0.006 0.000 1.026 108 V CA -1.221 61.084 62.300 0.008 0.000 0.856 108 V CB 1.686 33.515 31.823 0.010 0.000 1.001 108 V HN 0.726 nan 8.190 nan 0.000 0.424 109 K N 4.373 124.775 120.400 0.004 0.000 2.472 109 K HA 0.075 4.392 4.320 -0.006 0.000 0.280 109 K C 0.584 177.188 176.600 0.006 0.000 1.028 109 K CA 1.000 57.289 56.287 0.004 0.000 1.045 109 K CB -0.828 31.674 32.500 0.003 0.000 0.902 109 K HN 0.733 nan 8.250 nan 0.000 0.478 110 N N 1.731 120.435 118.700 0.006 0.000 2.735 110 N HA -0.219 4.517 4.740 -0.006 0.000 0.248 110 N C -0.331 175.183 175.510 0.007 0.000 1.083 110 N CA 0.687 53.741 53.050 0.007 0.000 0.703 110 N CB -0.895 37.596 38.487 0.007 0.000 1.005 110 N HN 0.786 nan 8.380 nan 0.000 0.550 111 G N -0.665 108.140 108.800 0.008 0.000 2.721 111 G HA2 0.507 4.464 3.960 -0.006 0.000 0.296 111 G HA3 0.507 4.464 3.960 -0.006 0.000 0.296 111 G C -1.563 173.343 174.900 0.011 0.000 1.383 111 G CA -0.656 44.450 45.100 0.009 0.000 0.788 111 G HN 0.103 nan 8.290 nan 0.000 0.500 112 Q N -0.466 119.341 119.800 0.013 0.000 2.299 112 Q HA 0.606 4.942 4.340 -0.006 0.000 0.246 112 Q C 0.392 176.403 176.000 0.019 0.000 0.935 112 Q CA -0.359 55.453 55.803 0.015 0.000 0.887 112 Q CB 1.333 30.081 28.738 0.016 0.000 1.223 112 Q HN 0.806 nan 8.270 nan 0.000 0.439 113 A N 3.133 125.965 122.820 0.021 0.000 2.351 113 A HA 0.279 4.595 4.320 -0.006 0.000 0.257 113 A C -0.659 176.949 177.584 0.041 0.000 1.087 113 A CA -0.187 51.867 52.037 0.028 0.000 0.798 113 A CB 0.550 19.564 19.000 0.024 0.000 1.033 113 A HN 0.793 nan 8.150 nan 0.000 0.488 114 E N 0.004 120.240 120.200 0.061 0.000 2.199 114 E HA 0.498 4.844 4.350 -0.006 0.000 0.269 114 E C -0.670 176.019 176.600 0.149 0.000 0.899 114 E CA -0.487 55.967 56.400 0.090 0.000 0.772 114 E CB 2.011 31.759 29.700 0.080 0.000 1.155 114 E HN 0.725 nan 8.360 nan 0.000 0.408 115 T N 1.155 115.798 114.554 0.149 0.000 2.887 115 T HA 0.742 5.088 4.350 -0.006 0.000 0.288 115 T C -0.926 173.921 174.700 0.245 0.000 1.021 115 T CA -0.629 61.560 62.100 0.149 0.000 1.000 115 T CB 0.630 69.516 68.868 0.029 0.000 1.034 115 T HN 0.425 nan 8.240 nan 0.000 0.467 116 F N -0.606 119.341 119.950 -0.005 0.000 2.711 116 F HA 0.779 5.302 4.527 -0.006 0.000 0.313 116 F C -1.102 174.681 175.800 -0.028 0.000 1.141 116 F CA -1.046 56.958 58.000 0.007 0.000 0.941 116 F CB 0.962 39.976 39.000 0.024 0.000 1.349 116 F HN 0.557 nan 8.300 nan 0.000 0.464 117 T N 1.850 116.347 114.554 -0.095 0.000 2.859 117 T HA 0.678 5.024 4.350 -0.006 0.000 0.281 117 T C -0.892 173.672 174.700 -0.227 0.000 1.005 117 T CA -0.609 61.298 62.100 -0.321 0.000 1.025 117 T CB 1.807 70.521 68.868 -0.257 0.000 0.977 117 T HN 0.582 nan 8.240 nan 0.000 0.458 118 V N 2.513 122.207 119.914 -0.368 0.000 2.483 118 V HA 0.516 4.633 4.120 -0.006 0.000 0.295 118 V C -1.010 174.899 176.094 -0.308 0.000 1.035 118 V CA -0.974 61.237 62.300 -0.148 0.000 0.896 118 V CB 1.256 33.035 31.823 -0.074 0.000 0.986 118 V HN 0.843 nan 8.190 nan 0.000 0.447 119 W N 3.584 124.888 121.300 0.007 0.000 2.606 119 W HA 0.825 5.482 4.660 -0.005 0.000 0.332 119 W C 0.124 176.619 176.519 -0.040 0.000 1.052 119 W CA -0.589 56.746 57.345 -0.017 0.000 1.223 119 W CB 1.508 30.965 29.460 -0.005 0.000 1.383 119 W HN 0.447 nan 8.180 nan 0.000 0.524 120 R N 1.308 121.915 120.500 0.179 0.000 2.626 120 R HA 0.617 4.953 4.340 -0.006 0.000 0.274 120 R C -0.565 175.714 176.300 -0.035 0.000 1.031 120 R CA -0.357 55.764 56.100 0.034 0.000 0.898 120 R CB 1.716 32.009 30.300 -0.012 0.000 1.222 120 R HN 0.600 nan 8.270 nan 0.000 0.455 121 T N -0.939 113.512 114.554 -0.172 0.000 2.841 121 T HA 0.190 4.537 4.350 -0.006 0.000 0.276 121 T C 0.902 175.426 174.700 -0.293 0.000 1.003 121 T CA -0.420 61.462 62.100 -0.362 0.000 0.995 121 T CB 1.194 69.548 68.868 -0.857 0.000 1.260 121 T HN 0.282 nan 8.240 nan 0.000 0.581 122 V N 0.649 120.349 119.914 -0.356 0.000 2.568 122 V HA -0.170 3.946 4.120 -0.006 0.000 0.253 122 V C 2.042 177.778 176.094 -0.596 0.000 1.072 122 V CA 2.099 64.128 62.300 -0.452 0.000 1.084 122 V CB -1.277 30.186 31.823 -0.600 0.000 0.676 122 V HN 0.952 nan 8.190 nan 0.000 0.469 123 H N -0.440 118.352 119.070 -0.463 0.000 2.525 123 H HA 0.512 5.064 4.556 -0.006 0.000 0.275 123 H C 0.881 176.002 175.328 -0.345 0.000 0.984 123 H CA 0.586 56.298 56.048 -0.559 0.000 1.264 123 H CB 0.382 29.678 29.762 -0.776 0.000 1.432 123 H HN 0.632 nan 8.280 nan 0.000 0.549 124 G N -0.579 108.123 108.800 -0.163 0.000 2.362 124 G HA2 -0.099 3.858 3.960 -0.006 0.000 0.288 124 G HA3 -0.099 3.858 3.960 -0.006 0.000 0.288 124 G C -1.558 173.305 174.900 -0.062 0.000 1.305 124 G CA -1.144 43.891 45.100 -0.109 0.000 0.910 124 G HN 0.056 nan 8.290 nan 0.000 0.518 125 N N 0.092 118.779 118.700 -0.022 0.000 2.453 125 N HA 0.334 5.070 4.740 -0.006 0.000 0.253 125 N C 0.522 176.065 175.510 0.055 0.000 1.252 125 N CA -0.291 52.775 53.050 0.028 0.000 0.917 125 N CB 0.464 38.981 38.487 0.050 0.000 1.117 125 N HN 0.401 nan 8.380 nan 0.000 0.442 126 I N 2.814 123.442 120.570 0.097 0.000 2.452 126 I HA -0.005 4.161 4.170 -0.006 0.000 0.287 126 I C 1.580 177.778 176.117 0.135 0.000 1.079 126 I CA 0.057 61.423 61.300 0.109 0.000 1.387 126 I CB 0.139 38.216 38.000 0.128 0.000 1.404 126 I HN 0.483 nan 8.210 nan 0.000 0.522 127 L N 5.735 127.040 121.223 0.136 0.000 2.049 127 L HA -0.077 4.259 4.340 -0.006 0.000 0.203 127 L C 0.898 177.853 176.870 0.142 0.000 1.074 127 L CA 1.193 56.112 54.840 0.133 0.000 0.749 127 L CB 0.018 42.150 42.059 0.123 0.000 0.907 127 L HN 0.729 nan 8.230 nan 0.000 0.439 128 Q N -1.687 118.220 119.800 0.179 0.000 2.482 128 Q HA 0.494 4.830 4.340 -0.006 0.000 0.286 128 Q C -1.168 174.956 176.000 0.207 0.000 1.007 128 Q CA -0.896 55.015 55.803 0.181 0.000 0.801 128 Q CB 1.779 30.616 28.738 0.164 0.000 1.455 128 Q HN 0.011 nan 8.270 nan 0.000 0.398 129 T N -1.668 112.966 114.554 0.133 0.000 2.893 129 T HA 0.473 4.820 4.350 -0.006 0.000 0.291 129 T C -1.098 173.650 174.700 0.081 0.000 1.028 129 T CA -0.717 61.421 62.100 0.063 0.000 0.995 129 T CB 1.730 70.593 68.868 -0.009 0.000 1.051 129 T HN 0.569 nan 8.240 nan 0.000 0.470 130 D N 1.195 121.622 120.400 0.046 0.000 2.472 130 D HA 0.275 4.911 4.640 -0.006 0.000 0.234 130 D C 1.031 177.341 176.300 0.018 0.000 1.088 130 D CA -0.413 53.621 54.000 0.058 0.000 0.882 130 D CB 1.498 42.354 40.800 0.093 0.000 1.037 130 D HN 0.624 nan 8.370 nan 0.000 0.520 131 Q N 0.709 120.520 119.800 0.019 0.000 2.084 131 Q HA -0.150 4.187 4.340 -0.006 0.000 0.202 131 Q C 2.024 178.031 176.000 0.012 0.000 0.978 131 Q CA 2.098 57.905 55.803 0.007 0.000 0.844 131 Q CB 0.029 28.772 28.738 0.008 0.000 0.898 131 Q HN 0.661 nan 8.270 nan 0.000 0.426 132 T N -2.411 112.156 114.554 0.021 0.000 2.720 132 T HA -0.197 4.149 4.350 -0.006 0.000 0.268 132 T C 1.911 176.623 174.700 0.020 0.000 1.037 132 T CA 1.804 63.917 62.100 0.022 0.000 1.144 132 T CB -0.504 68.381 68.868 0.028 0.000 0.864 132 T HN 0.228 nan 8.240 nan 0.000 0.444 133 T N 0.299 114.866 114.554 0.020 0.000 3.086 133 T HA 0.120 4.467 4.350 -0.006 0.000 0.250 133 T C 0.104 174.808 174.700 0.007 0.000 1.074 133 T CA -0.032 62.078 62.100 0.015 0.000 0.988 133 T CB -0.587 68.291 68.868 0.018 0.000 0.988 133 T HN 0.467 nan 8.240 nan 0.000 0.530 134 Q N 1.649 121.451 119.800 0.003 0.000 2.453 134 Q HA -0.112 4.225 4.340 -0.006 0.000 0.330 134 Q C -0.648 175.343 176.000 -0.016 0.000 1.417 134 Q CA 0.794 56.601 55.803 0.005 0.000 0.902 134 Q CB -2.622 26.137 28.738 0.035 0.000 1.154 134 Q HN 0.480 nan 8.270 nan 0.000 0.395 135 T N -0.189 114.321 114.554 -0.073 0.000 2.861 135 T HA 0.774 5.121 4.350 -0.006 0.000 0.287 135 T C -0.499 174.050 174.700 -0.252 0.000 1.003 135 T CA 0.017 62.006 62.100 -0.185 0.000 0.977 135 T CB 1.955 70.669 68.868 -0.256 0.000 0.996 135 T HN 0.404 nan 8.240 nan 0.000 0.448 136 A N 2.533 125.180 122.820 -0.289 0.000 2.371 136 A HA 0.793 5.110 4.320 -0.006 0.000 0.311 136 A C -1.651 175.750 177.584 -0.305 0.000 1.068 136 A CA -0.677 51.226 52.037 -0.223 0.000 0.744 136 A CB 0.833 19.756 19.000 -0.128 0.000 1.239 136 A HN 0.784 nan 8.150 nan 0.000 0.435 137 Y N 0.742 121.044 120.300 0.004 0.000 2.323 137 Y HA 0.560 5.106 4.550 -0.006 0.000 0.331 137 Y C 0.678 176.585 175.900 0.011 0.000 1.092 137 Y CA 0.029 58.134 58.100 0.008 0.000 1.150 137 Y CB 1.939 40.410 38.460 0.017 0.000 1.200 137 Y HN 0.827 nan 8.280 nan 0.000 0.472 138 A N 3.899 126.811 122.820 0.152 0.000 2.318 138 A HA 0.541 4.857 4.320 -0.006 0.000 0.317 138 A C -0.813 176.848 177.584 0.127 0.000 1.159 138 A CA -1.040 51.053 52.037 0.093 0.000 0.799 138 A CB 0.794 19.808 19.000 0.024 0.000 1.194 138 A HN 0.726 nan 8.150 nan 0.000 0.479 139 K N 1.790 122.244 120.400 0.089 0.000 2.262 139 K HA 0.403 4.720 4.320 -0.006 0.000 0.282 139 K C -0.420 176.200 176.600 0.032 0.000 1.066 139 K CA 0.025 56.359 56.287 0.079 0.000 0.901 139 K CB 0.660 33.196 32.500 0.061 0.000 1.089 139 K HN 0.560 nan 8.250 nan 0.000 0.476 140 S N 4.871 120.609 115.700 0.063 0.000 2.594 140 S HA 0.387 4.853 4.470 -0.006 0.000 0.322 140 S C -0.849 173.810 174.600 0.098 0.000 1.085 140 S CA -0.924 57.265 58.200 -0.020 0.000 1.116 140 S CB 0.379 63.517 63.200 -0.104 0.000 0.979 140 S HN 0.641 nan 8.310 nan 0.000 0.465 141 R N 2.795 123.235 120.500 -0.100 0.000 2.349 141 R HA 0.547 4.884 4.340 -0.006 0.000 0.299 141 R C 1.299 177.563 176.300 -0.062 0.000 1.027 141 R CA -0.111 55.818 56.100 -0.285 0.000 0.958 141 R CB 0.927 30.552 30.300 -1.126 0.000 1.047 141 R HN 0.685 nan 8.270 nan 0.000 0.468 142 A N 3.930 126.766 122.820 0.026 0.000 2.015 142 A HA -0.109 4.208 4.320 -0.006 0.000 0.219 142 A C 1.175 178.746 177.584 -0.021 0.000 1.163 142 A CA 0.817 52.865 52.037 0.018 0.000 0.646 142 A CB -0.408 18.465 19.000 -0.211 0.000 0.806 142 A HN 0.965 nan 8.150 nan 0.000 0.448 143 W N -0.429 120.870 121.300 -0.001 0.000 3.197 143 W HA 0.218 4.874 4.660 -0.006 0.000 0.274 143 W C -0.374 176.141 176.519 -0.007 0.000 1.297 143 W CA -0.231 57.085 57.345 -0.048 0.000 1.662 143 W CB -1.014 28.397 29.460 -0.082 0.000 1.106 143 W HN 0.281 nan 8.180 nan 0.000 0.663 144 D N 1.676 121.980 120.400 -0.159 0.000 2.581 144 D HA 0.192 4.829 4.640 -0.006 0.000 0.238 144 D C 1.529 177.840 176.300 0.019 0.000 1.145 144 D CA 2.687 56.608 54.000 -0.132 0.000 0.866 144 D CB 0.364 41.038 40.800 -0.209 0.000 1.151 144 D HN 0.352 nan 8.370 nan 0.000 0.500 145 G N 3.783 112.622 108.800 0.064 0.000 2.194 145 G HA2 -0.282 3.674 3.960 -0.006 0.000 0.236 145 G HA3 -0.282 3.674 3.960 -0.006 0.000 0.236 145 G C 0.774 175.708 174.900 0.057 0.000 0.987 145 G CA 0.436 45.561 45.100 0.042 0.000 0.635 145 G HN 0.575 nan 8.290 nan 0.000 0.520 146 K N -0.175 120.289 120.400 0.106 0.000 2.536 146 K HA 0.343 4.659 4.320 -0.006 0.000 0.203 146 K C 1.294 177.941 176.600 0.077 0.000 1.063 146 K CA 0.139 56.470 56.287 0.074 0.000 1.063 146 K CB 0.678 33.208 32.500 0.050 0.000 0.843 146 K HN 0.245 nan 8.250 nan 0.000 0.521 147 E N 0.875 121.145 120.200 0.118 0.000 2.051 147 E HA -0.149 4.198 4.350 -0.006 0.000 0.192 147 E C 1.764 178.357 176.600 -0.012 0.000 0.991 147 E CA 1.265 57.700 56.400 0.057 0.000 0.799 147 E CB -0.029 29.730 29.700 0.098 0.000 0.748 147 E HN -0.008 nan 8.360 nan 0.000 0.449 148 V N 0.815 120.727 119.914 -0.003 0.000 2.379 148 V HA -0.201 3.916 4.120 -0.006 0.000 0.245 148 V C 2.190 178.265 176.094 -0.031 0.000 1.044 148 V CA 1.647 63.932 62.300 -0.025 0.000 1.036 148 V CB -0.746 31.068 31.823 -0.016 0.000 0.664 148 V HN 0.348 nan 8.190 nan 0.000 0.453 149 A N -0.399 122.407 122.820 -0.024 0.000 2.019 149 A HA -0.187 4.129 4.320 -0.006 0.000 0.219 149 A C 2.452 180.004 177.584 -0.055 0.000 1.164 149 A CA 2.147 54.163 52.037 -0.036 0.000 0.644 149 A CB -0.521 18.453 19.000 -0.042 0.000 0.805 149 A HN 0.509 nan 8.150 nan 0.000 0.449 150 S N -0.638 115.031 115.700 -0.052 0.000 2.387 150 S HA -0.043 4.424 4.470 -0.006 0.000 0.226 150 S C 1.827 176.463 174.600 0.061 0.000 1.026 150 S CA 0.963 59.132 58.200 -0.053 0.000 0.972 150 S CB -0.394 62.766 63.200 -0.066 0.000 0.814 150 S HN 0.603 nan 8.310 nan 0.000 0.477 151 L N 1.326 122.557 121.223 0.014 0.000 2.079 151 L HA -0.085 4.251 4.340 -0.006 0.000 0.210 151 L C 1.871 178.735 176.870 -0.009 0.000 1.081 151 L CA 1.388 56.225 54.840 -0.005 0.000 0.752 151 L CB -0.213 41.782 42.059 -0.107 0.000 0.896 151 L HN 0.306 nan 8.230 nan 0.000 0.433 152 L N -0.544 120.637 121.223 -0.071 0.000 2.131 152 L HA -0.089 4.248 4.340 -0.006 0.000 0.206 152 L C 2.854 179.602 176.870 -0.203 0.000 1.087 152 L CA 0.837 55.553 54.840 -0.207 0.000 0.767 152 L CB -0.761 41.209 42.059 -0.148 0.000 0.917 152 L HN 0.320 nan 8.230 nan 0.000 0.441 153 A N -0.542 122.242 122.820 -0.060 0.000 1.940 153 A HA -0.253 4.063 4.320 -0.006 0.000 0.219 153 A C 2.103 179.730 177.584 0.072 0.000 1.176 153 A CA 1.301 53.318 52.037 -0.034 0.000 0.631 153 A CB -0.818 18.089 19.000 -0.155 0.000 0.814 153 A HN 0.577 nan 8.150 nan 0.000 0.446 154 W N 0.979 122.284 121.300 0.008 0.000 2.467 154 W HA -0.049 4.607 4.660 -0.006 0.000 0.275 154 W C 1.998 178.415 176.519 -0.169 0.000 1.239 154 W CA 1.737 59.069 57.345 -0.022 0.000 1.266 154 W CB -0.731 28.727 29.460 -0.004 0.000 1.112 154 W HN 0.407 nan 8.180 nan 0.000 0.576 155 T N -1.301 113.280 114.554 0.046 0.000 2.732 155 T HA -0.171 4.176 4.350 -0.006 0.000 0.261 155 T C 1.346 176.065 174.700 0.031 0.000 1.040 155 T CA 1.692 63.763 62.100 -0.049 0.000 1.145 155 T CB -0.655 68.111 68.868 -0.169 0.000 0.866 155 T HN 0.221 nan 8.240 nan 0.000 0.427 156 H N 1.783 120.911 119.070 0.097 0.000 2.387 156 H HA -0.110 4.442 4.556 -0.006 0.000 0.299 156 H C 2.573 177.891 175.328 -0.017 0.000 1.090 156 H CA 1.340 57.422 56.048 0.058 0.000 1.332 156 H CB -0.119 29.642 29.762 -0.002 0.000 1.386 156 H HN 0.502 nan 8.280 nan 0.000 0.516 157 Q N 0.778 120.578 119.800 0.001 0.000 2.297 157 Q HA -0.151 4.185 4.340 -0.006 0.000 0.208 157 Q C 1.698 177.572 176.000 -0.210 0.000 0.981 157 Q CA 1.613 57.351 55.803 -0.108 0.000 0.876 157 Q CB -0.413 28.130 28.738 -0.325 0.000 0.921 157 Q HN 0.519 nan 8.270 nan 0.000 0.446 158 M N 0.110 119.539 119.600 -0.285 0.000 2.632 158 M HA -0.025 4.451 4.480 -0.006 0.000 0.256 158 M C 1.267 177.608 176.300 0.069 0.000 1.080 158 M CA 1.210 56.304 55.300 -0.344 0.000 1.084 158 M CB -0.060 32.530 32.600 -0.016 0.000 1.439 158 M HN 0.165 nan 8.290 nan 0.000 0.509 159 K N 0.428 120.865 120.400 0.061 0.000 2.367 159 K HA 0.271 4.587 4.320 -0.006 0.000 0.194 159 K C 0.610 177.256 176.600 0.076 0.000 1.027 159 K CA -0.212 56.087 56.287 0.021 0.000 1.075 159 K CB 0.371 32.785 32.500 -0.143 0.000 0.845 159 K HN 0.216 nan 8.250 nan 0.000 0.529 160 A N 1.749 124.648 122.820 0.132 0.000 2.483 160 A HA 0.025 4.342 4.320 -0.006 0.000 0.238 160 A C 0.512 178.234 177.584 0.230 0.000 1.070 160 A CA 0.400 52.554 52.037 0.196 0.000 0.770 160 A CB 0.307 19.500 19.000 0.321 0.000 1.008 160 A HN 0.175 nan 8.150 nan 0.000 0.497 161 K N 0.415 120.938 120.400 0.206 0.000 2.438 161 K HA 0.107 4.424 4.320 -0.006 0.000 0.206 161 K C -0.494 176.243 176.600 0.228 0.000 1.081 161 K CA 0.304 56.705 56.287 0.191 0.000 1.053 161 K CB 0.271 32.850 32.500 0.131 0.000 0.908 161 K HN 0.916 nan 8.250 nan 0.000 0.556 162 N N -2.092 116.786 118.700 0.297 0.000 3.277 162 N HA 0.005 4.742 4.740 -0.006 0.000 0.278 162 N C -0.032 175.729 175.510 0.418 0.000 1.544 162 N CA -0.973 52.296 53.050 0.365 0.000 0.869 162 N CB -0.197 38.430 38.487 0.234 0.000 1.584 162 N HN -0.032 nan 8.380 nan 0.000 0.564 163 W N 0.288 121.595 121.300 0.012 0.000 2.381 163 W HA -0.141 4.516 4.660 -0.006 0.000 0.301 163 W C 0.777 177.273 176.519 -0.038 0.000 1.205 163 W CA 2.016 59.204 57.345 -0.262 0.000 1.285 163 W CB 0.071 29.162 29.460 -0.616 0.000 1.133 163 W HN 0.640 nan 8.180 nan 0.000 0.521 164 Q N 0.667 120.494 119.800 0.044 0.000 2.124 164 Q HA -0.230 4.107 4.340 -0.006 0.000 0.202 164 Q C 2.200 178.157 176.000 -0.073 0.000 0.977 164 Q CA 2.127 57.883 55.803 -0.079 0.000 0.850 164 Q CB -0.841 27.900 28.738 0.005 0.000 0.901 164 Q HN 0.435 nan 8.270 nan 0.000 0.429 165 Q N -0.967 118.856 119.800 0.038 0.000 2.123 165 Q HA -0.146 4.190 4.340 -0.006 0.000 0.199 165 Q C 1.657 177.687 176.000 0.049 0.000 0.966 165 Q CA 1.065 56.886 55.803 0.031 0.000 0.845 165 Q CB -0.278 28.509 28.738 0.081 0.000 0.907 165 Q HN 0.476 nan 8.270 nan 0.000 0.439 166 W N 1.629 122.891 121.300 -0.062 0.000 2.363 166 W HA -0.182 4.475 4.660 -0.006 0.000 0.296 166 W C 2.248 178.652 176.519 -0.192 0.000 1.212 166 W CA 2.220 59.541 57.345 -0.041 0.000 1.260 166 W CB -0.172 29.391 29.460 0.173 0.000 1.131 166 W HN 0.149 nan 8.180 nan 0.000 0.530 167 T N -1.853 112.485 114.554 -0.361 0.000 3.035 167 T HA -0.140 4.206 4.350 -0.006 0.000 0.268 167 T C 1.506 175.844 174.700 -0.603 0.000 1.109 167 T CA 1.350 63.090 62.100 -0.601 0.000 1.119 167 T CB -0.327 68.145 68.868 -0.660 0.000 0.900 167 T HN 0.351 nan 8.240 nan 0.000 0.503 168 Q N 0.160 119.703 119.800 -0.429 0.000 2.172 168 Q HA -0.040 4.297 4.340 -0.006 0.000 0.200 168 Q C 2.518 178.253 176.000 -0.442 0.000 0.964 168 Q CA 1.015 56.572 55.803 -0.410 0.000 0.855 168 Q CB 0.000 28.588 28.738 -0.250 0.000 0.918 168 Q HN 0.528 nan 8.270 nan 0.000 0.444 169 Q N -0.548 119.010 119.800 -0.402 0.000 2.212 169 Q HA 0.037 4.374 4.340 -0.006 0.000 0.199 169 Q C 1.968 177.600 176.000 -0.615 0.000 0.950 169 Q CA 1.037 56.622 55.803 -0.364 0.000 0.863 169 Q CB -0.117 28.506 28.738 -0.191 0.000 0.944 169 Q HN 0.320 nan 8.270 nan 0.000 0.465 170 A N 1.449 123.764 122.820 -0.841 0.000 1.933 170 A HA -0.057 4.259 4.320 -0.006 0.000 0.218 170 A C 2.275 179.234 177.584 -1.042 0.000 1.175 170 A CA 1.671 52.971 52.037 -1.228 0.000 0.628 170 A CB -0.573 17.804 19.000 -1.040 0.000 0.814 170 A HN 0.331 nan 8.150 nan 0.000 0.444 171 A N -0.778 121.342 122.820 -1.168 0.000 2.178 171 A HA -0.090 4.227 4.320 -0.006 0.000 0.218 171 A C 1.932 179.121 177.584 -0.658 0.000 1.157 171 A CA 1.590 52.894 52.037 -1.223 0.000 0.689 171 A CB -0.284 17.855 19.000 -1.436 0.000 0.787 171 A HN 0.538 nan 8.150 nan 0.000 0.465 172 K N -0.925 119.135 120.400 -0.567 0.000 2.353 172 K HA 0.087 4.403 4.320 -0.006 0.000 0.195 172 K C 0.508 176.873 176.600 -0.392 0.000 1.031 172 K CA -0.187 55.870 56.287 -0.384 0.000 1.079 172 K CB 0.339 32.666 32.500 -0.289 0.000 0.857 172 K HN 0.304 nan 8.250 nan 0.000 0.535 173 Q N 0.807 120.253 119.800 -0.591 0.000 2.295 173 Q HA 0.178 4.515 4.340 -0.006 0.000 0.259 173 Q C 0.038 175.749 176.000 -0.482 0.000 0.976 173 Q CA 0.038 55.480 55.803 -0.601 0.000 0.923 173 Q CB 1.559 29.643 28.738 -1.091 0.000 1.185 173 Q HN 0.218 nan 8.270 nan 0.000 0.410 174 A N 5.438 128.069 122.820 -0.314 0.000 2.267 174 A HA 0.221 4.537 4.320 -0.006 0.000 0.213 174 A C 0.687 178.119 177.584 -0.252 0.000 1.192 174 A CA -0.113 51.783 52.037 -0.235 0.000 0.851 174 A CB 0.284 19.240 19.000 -0.072 0.000 0.881 174 A HN 0.671 nan 8.150 nan 0.000 0.494 175 L N -0.548 120.479 121.223 -0.327 0.000 2.466 175 L HA 0.200 4.537 4.340 -0.006 0.000 0.257 175 L C 0.952 177.648 176.870 -0.290 0.000 1.189 175 L CA -0.267 54.345 54.840 -0.380 0.000 0.813 175 L CB 0.522 42.360 42.059 -0.369 0.000 1.118 175 L HN 0.087 nan 8.230 nan 0.000 0.471 176 T N 3.651 118.093 114.554 -0.187 0.000 2.987 176 T HA 0.410 4.757 4.350 -0.006 0.000 0.288 176 T C -0.421 174.223 174.700 -0.094 0.000 0.981 176 T CA -0.343 61.709 62.100 -0.079 0.000 1.031 176 T CB -0.858 68.106 68.868 0.160 0.000 0.976 176 T HN 0.227 nan 8.240 nan 0.000 0.612 177 I N 4.454 124.918 120.570 -0.177 0.000 2.607 177 I HA 0.359 4.525 4.170 -0.006 0.000 0.290 177 I C -0.309 175.791 176.117 -0.027 0.000 1.129 177 I CA -1.094 60.209 61.300 0.006 0.000 1.042 177 I CB 2.044 40.104 38.000 0.099 0.000 1.242 177 I HN 0.460 nan 8.210 nan 0.000 0.421 178 N N 4.413 123.250 118.700 0.230 0.000 2.497 178 N HA 0.237 4.974 4.740 -0.006 0.000 0.271 178 N C -1.079 174.641 175.510 0.349 0.000 1.142 178 N CA -0.027 53.164 53.050 0.234 0.000 0.965 178 N CB 1.362 40.145 38.487 0.493 0.000 1.077 178 N HN 0.384 nan 8.380 nan 0.000 0.462 179 W N 2.044 123.252 121.300 -0.153 0.000 2.689 179 W HA 0.430 5.087 4.660 -0.006 0.000 0.340 179 W C -0.622 175.980 176.519 0.138 0.000 1.060 179 W CA -0.527 56.879 57.345 0.101 0.000 1.218 179 W CB 0.451 29.934 29.460 0.038 0.000 1.410 179 W HN 0.354 nan 8.180 nan 0.000 0.528 180 Y N 1.676 122.494 120.300 0.863 0.000 2.524 180 Y HA 0.418 4.965 4.550 -0.006 0.000 0.347 180 Y C -0.988 175.135 175.900 0.372 0.000 1.005 180 Y CA -1.505 56.990 58.100 0.659 0.000 1.025 180 Y CB 2.040 40.778 38.460 0.464 0.000 1.275 180 Y HN 0.316 nan 8.280 nan 0.000 0.460 181 Y N 1.375 121.783 120.300 0.181 0.000 2.462 181 Y HA 0.880 5.427 4.550 -0.006 0.000 0.346 181 Y C -1.112 174.814 175.900 0.043 0.000 0.976 181 Y CA -0.962 57.022 58.100 -0.195 0.000 1.044 181 Y CB 1.551 39.754 38.460 -0.430 0.000 1.230 181 Y HN 0.779 nan 8.280 nan 0.000 0.455 182 A N 3.861 126.416 122.820 -0.442 0.000 2.587 182 A HA 0.722 5.038 4.320 -0.006 0.000 0.293 182 A C -1.871 175.297 177.584 -0.693 0.000 1.087 182 A CA -0.426 51.442 52.037 -0.281 0.000 0.692 182 A CB 1.583 20.625 19.000 0.070 0.000 1.291 182 A HN 0.798 nan 8.150 nan 0.000 0.407 183 D N -1.300 118.718 120.400 -0.636 0.000 2.579 183 D HA 0.433 5.069 4.640 -0.006 0.000 0.257 183 D C 0.714 176.302 176.300 -1.187 0.000 1.176 183 D CA 0.062 53.459 54.000 -1.005 0.000 0.914 183 D CB 0.429 40.968 40.800 -0.435 0.000 1.431 183 D HN 0.575 nan 8.370 nan 0.000 0.454 184 V N -0.471 118.751 119.914 -1.154 0.000 2.568 184 V HA -0.171 3.945 4.120 -0.006 0.000 0.253 184 V C 1.168 177.154 176.094 -0.179 0.000 1.072 184 V CA 1.455 63.445 62.300 -0.516 0.000 1.084 184 V CB -0.998 30.737 31.823 -0.146 0.000 0.676 184 V HN 0.569 nan 8.190 nan 0.000 0.469 185 N N 0.615 119.222 118.700 -0.154 0.000 2.336 185 N HA 0.185 4.922 4.740 -0.006 0.000 0.189 185 N C 1.600 177.086 175.510 -0.040 0.000 1.113 185 N CA 1.005 54.025 53.050 -0.050 0.000 0.858 185 N CB 0.977 39.457 38.487 -0.011 0.000 0.970 185 N HN 0.707 nan 8.380 nan 0.000 0.471 186 G N 0.835 109.593 108.800 -0.069 0.000 2.157 186 G HA2 -0.243 3.714 3.960 -0.006 0.000 0.248 186 G HA3 -0.243 3.714 3.960 -0.006 0.000 0.248 186 G C -0.070 174.804 174.900 -0.043 0.000 0.979 186 G CA -0.438 44.645 45.100 -0.028 0.000 0.650 186 G HN 0.279 nan 8.290 nan 0.000 0.529 187 N N 0.798 119.474 118.700 -0.040 0.000 2.518 187 N HA 0.553 5.290 4.740 -0.006 0.000 0.266 187 N C 0.622 176.143 175.510 0.019 0.000 1.196 187 N CA 0.885 53.890 53.050 -0.074 0.000 0.947 187 N CB 1.233 39.756 38.487 0.060 0.000 1.098 187 N HN 0.838 nan 8.380 nan 0.000 0.450 188 I N -3.027 117.482 120.570 -0.102 0.000 2.828 188 I HA 0.882 5.049 4.170 -0.006 0.000 0.302 188 I C -0.060 176.066 176.117 0.015 0.000 1.101 188 I CA -0.978 60.374 61.300 0.087 0.000 1.031 188 I CB 2.381 40.431 38.000 0.084 0.000 1.231 188 I HN 0.454 nan 8.210 nan 0.000 0.427 189 G N 2.409 111.394 108.800 0.309 0.000 2.660 189 G HA2 0.603 4.560 3.960 -0.006 0.000 0.290 189 G HA3 0.603 4.560 3.960 -0.006 0.000 0.290 189 G C -2.619 172.691 174.900 0.684 0.000 1.432 189 G CA -0.603 44.691 45.100 0.323 0.000 0.807 189 G HN 0.847 nan 8.290 nan 0.000 0.485 190 Y N -0.241 120.402 120.300 0.570 0.000 2.513 190 Y HA 0.669 5.216 4.550 -0.006 0.000 0.340 190 Y C -1.535 174.625 175.900 0.433 0.000 1.055 190 Y CA -1.118 57.242 58.100 0.433 0.000 1.020 190 Y CB 2.197 40.818 38.460 0.269 0.000 1.301 190 Y HN 0.603 nan 8.280 nan 0.000 0.453 191 V N 5.142 124.838 119.914 -0.362 0.000 2.668 191 V HA 0.214 4.331 4.120 -0.006 0.000 0.304 191 V C -1.175 174.510 176.094 -0.681 0.000 1.071 191 V CA -0.857 61.175 62.300 -0.446 0.000 0.894 191 V CB 1.457 33.193 31.823 -0.145 0.000 1.008 191 V HN 0.861 nan 8.190 nan 0.000 0.425 192 H N 3.511 122.114 119.070 -0.779 0.000 3.004 192 H HA 0.491 5.044 4.556 -0.005 0.000 0.267 192 H C 0.636 175.808 175.328 -0.259 0.000 1.165 192 H CA 0.374 56.168 56.048 -0.424 0.000 1.450 192 H CB 0.660 30.184 29.762 -0.397 0.000 1.488 192 H HN 0.884 nan 8.280 nan 0.000 0.478 193 T N 1.907 116.143 114.554 -0.531 0.000 2.770 193 T HA 0.688 5.034 4.350 -0.006 0.000 0.281 193 T C 0.606 175.102 174.700 -0.340 0.000 0.981 193 T CA 0.014 61.830 62.100 -0.475 0.000 0.955 193 T CB 1.208 69.558 68.868 -0.863 0.000 1.060 193 T HN 1.052 nan 8.240 nan 0.000 0.531 194 G N -0.802 107.818 108.800 -0.300 0.000 2.392 194 G HA2 0.492 4.449 3.960 -0.006 0.000 0.677 194 G HA3 0.492 4.449 3.960 -0.006 0.000 0.677 194 G C -0.681 173.939 174.900 -0.466 0.000 1.334 194 G CA -0.460 44.397 45.100 -0.404 0.000 0.961 194 G HN 1.390 nan 8.290 nan 0.000 0.616 195 A N 0.182 122.670 122.820 -0.553 0.000 2.276 195 A HA 0.809 5.125 4.320 -0.006 0.000 0.300 195 A C -0.832 176.300 177.584 -0.753 0.000 1.235 195 A CA -0.239 51.543 52.037 -0.425 0.000 0.867 195 A CB 0.277 19.157 19.000 -0.201 0.000 1.137 195 A HN 1.126 nan 8.150 nan 0.000 0.527 196 Y N 2.784 123.045 120.300 -0.066 0.000 2.468 196 Y HA 0.524 5.071 4.550 -0.006 0.000 0.342 196 Y C -2.098 173.629 175.900 -0.288 0.000 1.021 196 Y CA -2.655 55.362 58.100 -0.139 0.000 1.079 196 Y CB 1.755 40.193 38.460 -0.038 0.000 1.226 196 Y HN 0.498 nan 8.280 nan 0.000 0.460 197 P HA 0.026 nan 4.420 nan 0.000 0.275 197 P C -0.760 176.302 177.300 -0.398 0.000 1.228 197 P CA -0.162 62.478 63.100 -0.767 0.000 0.786 197 P CB 1.129 31.611 31.700 -2.031 0.000 0.927 198 D N 2.592 122.858 120.400 -0.223 0.000 2.485 198 D HA 0.155 4.791 4.640 -0.006 0.000 0.221 198 D C -0.127 176.178 176.300 0.008 0.000 1.112 198 D CA -0.443 53.517 54.000 -0.066 0.000 0.911 198 D CB 0.037 40.839 40.800 0.004 0.000 1.019 198 D HN 0.130 nan 8.370 nan 0.000 0.516 199 R N 2.004 122.491 120.500 -0.022 0.000 2.560 199 R HA 0.279 4.616 4.340 -0.006 0.000 0.270 199 R C 0.513 176.941 176.300 0.213 0.000 1.074 199 R CA -0.735 55.438 56.100 0.121 0.000 1.140 199 R CB 0.737 30.993 30.300 -0.073 0.000 1.073 199 R HN 0.401 nan 8.270 nan 0.000 0.527 200 Q N 0.644 120.660 119.800 0.360 0.000 2.373 200 Q HA 0.074 4.411 4.340 -0.006 0.000 0.255 200 Q C -0.134 176.053 176.000 0.312 0.000 0.980 200 Q CA 0.157 56.127 55.803 0.279 0.000 0.882 200 Q CB 1.197 30.088 28.738 0.256 0.000 1.249 200 Q HN 0.523 nan 8.270 nan 0.000 0.438 201 S N 0.540 116.359 115.700 0.197 0.000 2.593 201 S HA 0.176 4.642 4.470 -0.006 0.000 0.300 201 S C 1.092 175.885 174.600 0.321 0.000 1.267 201 S CA 1.159 59.477 58.200 0.196 0.000 1.065 201 S CB -0.127 63.142 63.200 0.116 0.000 0.807 201 S HN 0.842 nan 8.310 nan 0.000 0.499 202 G N 2.450 111.420 108.800 0.284 0.000 2.176 202 G HA2 -0.250 3.706 3.960 -0.006 0.000 0.253 202 G HA3 -0.250 3.706 3.960 -0.006 0.000 0.253 202 G C -0.066 175.007 174.900 0.289 0.000 0.979 202 G CA 0.417 45.695 45.100 0.297 0.000 0.641 202 G HN 0.950 nan 8.290 nan 0.000 0.530 203 H N 0.934 120.141 119.070 0.228 0.000 2.723 203 H HA 0.490 5.043 4.556 -0.006 0.000 0.294 203 H C -0.658 174.665 175.328 -0.009 0.000 1.079 203 H CA -0.383 55.702 56.048 0.062 0.000 1.411 203 H CB 0.732 30.639 29.762 0.241 0.000 1.439 203 H HN 0.113 nan 8.280 nan 0.000 0.474 204 D N 7.307 127.804 120.400 0.162 0.000 2.313 204 D HA 0.067 4.703 4.640 -0.006 0.000 0.239 204 D C -1.785 174.622 176.300 0.179 0.000 1.142 204 D CA -2.385 51.680 54.000 0.107 0.000 0.847 204 D CB 1.695 42.501 40.800 0.010 0.000 1.082 204 D HN 0.471 nan 8.370 nan 0.000 0.480 205 P HA 0.042 nan 4.420 nan 0.000 0.247 205 P C 0.651 177.984 177.300 0.055 0.000 1.225 205 P CA 0.223 63.358 63.100 0.059 0.000 0.768 205 P CB 0.290 31.949 31.700 -0.067 0.000 1.020 206 R N -1.070 119.455 120.500 0.042 0.000 2.290 206 R HA 0.307 4.643 4.340 -0.006 0.000 0.197 206 R C 0.775 177.089 176.300 0.023 0.000 0.913 206 R CA 0.202 56.321 56.100 0.032 0.000 1.040 206 R CB 0.168 30.487 30.300 0.031 0.000 0.992 206 R HN 0.225 nan 8.270 nan 0.000 0.500 207 L N 0.008 121.232 121.223 0.003 0.000 2.327 207 L HA 0.509 4.846 4.340 -0.006 0.000 0.258 207 L C -2.408 174.410 176.870 -0.087 0.000 1.024 207 L CA -2.644 52.174 54.840 -0.037 0.000 0.825 207 L CB 1.751 43.773 42.059 -0.061 0.000 1.386 207 L HN -0.242 nan 8.230 nan 0.000 0.417 208 P HA 0.163 nan 4.420 nan 0.000 0.269 208 P C -1.217 175.901 177.300 -0.304 0.000 1.215 208 P CA -0.276 62.739 63.100 -0.141 0.000 0.780 208 P CB 0.654 32.364 31.700 0.016 0.000 0.898 209 V N -1.289 118.345 119.914 -0.466 0.000 2.864 209 V HA 0.675 4.792 4.120 -0.006 0.000 0.314 209 V C -2.734 173.146 176.094 -0.357 0.000 1.073 209 V CA -3.222 58.706 62.300 -0.620 0.000 0.956 209 V CB 1.551 32.821 31.823 -0.921 0.000 1.023 209 V HN 0.292 nan 8.190 nan 0.000 0.435 210 P HA 0.266 nan 4.420 nan 0.000 0.271 210 P C 0.716 178.115 177.300 0.165 0.000 1.216 210 P CA 0.339 63.441 63.100 0.003 0.000 0.771 210 P CB 0.899 32.662 31.700 0.106 0.000 0.864 211 G N 1.234 110.122 108.800 0.148 0.000 3.314 211 G HA2 -0.027 3.929 3.960 -0.006 0.000 0.238 211 G HA3 -0.027 3.929 3.960 -0.006 0.000 0.238 211 G C 0.989 176.091 174.900 0.337 0.000 1.184 211 G CA 0.128 45.345 45.100 0.195 0.000 0.806 211 G HN 0.536 nan 8.290 nan 0.000 0.536 212 T N -3.555 111.157 114.554 0.263 0.000 3.113 212 T HA 0.350 4.696 4.350 -0.006 0.000 0.263 212 T C 1.790 176.608 174.700 0.196 0.000 1.143 212 T CA 1.348 63.570 62.100 0.204 0.000 1.090 212 T CB 0.200 69.112 68.868 0.073 0.000 0.922 212 T HN 0.913 nan 8.240 nan 0.000 0.521 213 G N 1.162 110.116 108.800 0.257 0.000 3.006 213 G HA2 -0.169 3.788 3.960 -0.006 0.000 0.195 213 G HA3 -0.169 3.788 3.960 -0.006 0.000 0.195 213 G C 0.874 175.804 174.900 0.050 0.000 1.034 213 G CA 0.010 45.178 45.100 0.113 0.000 0.807 213 G HN 0.437 nan 8.290 nan 0.000 0.469 214 K N 0.170 120.545 120.400 -0.041 0.000 2.228 214 K HA 0.187 4.503 4.320 -0.006 0.000 0.202 214 K C 1.461 177.795 176.600 -0.444 0.000 1.051 214 K CA 1.059 57.173 56.287 -0.289 0.000 0.960 214 K CB -0.255 31.970 32.500 -0.459 0.000 0.743 214 K HN 0.580 nan 8.250 nan 0.000 0.458 215 W N 1.856 123.239 121.300 0.139 0.000 3.290 215 W HA 0.134 4.791 4.660 -0.006 0.000 0.287 215 W C -0.428 176.298 176.519 0.347 0.000 1.288 215 W CA -0.707 56.740 57.345 0.169 0.000 1.725 215 W CB 0.161 29.633 29.460 0.019 0.000 1.103 215 W HN -0.137 nan 8.180 nan 0.000 0.670 216 D N 0.284 120.953 120.400 0.448 0.000 2.472 216 D HA -0.099 4.538 4.640 -0.006 0.000 0.237 216 D C 0.515 177.098 176.300 0.471 0.000 1.141 216 D CA 0.328 54.572 54.000 0.407 0.000 0.875 216 D CB 0.444 41.405 40.800 0.269 0.000 1.192 216 D HN -0.194 nan 8.370 nan 0.000 0.450 217 W N 1.777 123.314 121.300 0.396 0.000 2.253 217 W HA -0.026 4.630 4.660 -0.006 0.000 0.348 217 W C 1.607 178.227 176.519 0.167 0.000 1.267 217 W CA -0.358 57.154 57.345 0.277 0.000 1.298 217 W CB -0.123 29.475 29.460 0.231 0.000 1.181 217 W HN 0.415 nan 8.180 nan 0.000 0.585 218 K N 0.963 121.576 120.400 0.356 0.000 2.243 218 K HA 0.218 4.534 4.320 -0.006 0.000 0.201 218 K C 1.133 177.839 176.600 0.175 0.000 1.051 218 K CA 1.026 57.437 56.287 0.207 0.000 0.970 218 K CB 0.393 32.977 32.500 0.140 0.000 0.755 218 K HN 0.626 nan 8.250 nan 0.000 0.465 219 G N 0.263 109.182 108.800 0.198 0.000 2.455 219 G HA2 0.190 4.147 3.960 -0.006 0.000 0.223 219 G HA3 0.190 4.147 3.960 -0.006 0.000 0.223 219 G C -1.896 173.050 174.900 0.076 0.000 1.226 219 G CA -0.951 44.231 45.100 0.137 0.000 0.948 219 G HN -0.022 nan 8.290 nan 0.000 0.478 220 L N 0.726 121.967 121.223 0.030 0.000 2.362 220 L HA 0.608 4.945 4.340 -0.006 0.000 0.271 220 L C -0.005 176.863 176.870 -0.004 0.000 1.002 220 L CA -0.852 53.974 54.840 -0.024 0.000 0.818 220 L CB 2.005 44.050 42.059 -0.023 0.000 1.298 220 L HN 0.420 nan 8.230 nan 0.000 0.420 221 L N 2.836 124.060 121.223 0.002 0.000 2.452 221 L HA 0.309 4.646 4.340 -0.006 0.000 0.267 221 L C -1.862 175.035 176.870 0.045 0.000 1.188 221 L CA -1.637 53.220 54.840 0.029 0.000 0.821 221 L CB 0.101 42.191 42.059 0.051 0.000 1.102 221 L HN 0.352 nan 8.230 nan 0.000 0.470 222 P HA -0.036 nan 4.420 nan 0.000 0.272 222 P C 0.368 177.718 177.300 0.083 0.000 1.230 222 P CA -0.291 62.843 63.100 0.058 0.000 0.788 222 P CB 0.437 32.162 31.700 0.041 0.000 0.949 223 F N 1.144 121.063 119.950 -0.052 0.000 2.250 223 F HA -0.155 4.369 4.527 -0.005 0.000 0.301 223 F C 2.090 177.856 175.800 -0.056 0.000 1.077 223 F CA 1.598 59.552 58.000 -0.076 0.000 1.348 223 F CB -0.260 38.661 39.000 -0.132 0.000 1.040 223 F HN 0.439 nan 8.300 nan 0.000 0.509 224 E N -0.393 119.754 120.200 -0.089 0.000 2.153 224 E HA -0.214 4.132 4.350 -0.006 0.000 0.194 224 E C 2.038 178.529 176.600 -0.181 0.000 0.988 224 E CA 1.266 57.571 56.400 -0.159 0.000 0.811 224 E CB -0.039 29.633 29.700 -0.047 0.000 0.746 224 E HN 0.345 nan 8.360 nan 0.000 0.466 225 M N 0.775 120.305 119.600 -0.115 0.000 2.492 225 M HA -0.002 4.475 4.480 -0.006 0.000 0.262 225 M C 0.149 176.386 176.300 -0.105 0.000 1.090 225 M CA 0.427 55.685 55.300 -0.070 0.000 1.110 225 M CB -0.856 31.741 32.600 -0.004 0.000 1.407 225 M HN -0.069 nan 8.290 nan 0.000 0.470 226 N N 2.014 120.585 118.700 -0.215 0.000 2.447 226 N HA 0.098 4.834 4.740 -0.006 0.000 0.263 226 N C -2.458 172.896 175.510 -0.260 0.000 1.226 226 N CA -0.687 52.233 53.050 -0.216 0.000 0.906 226 N CB 0.049 38.331 38.487 -0.341 0.000 1.060 226 N HN -0.002 nan 8.380 nan 0.000 0.468 227 P HA -0.016 nan 4.420 nan 0.000 0.264 227 P C -0.717 176.457 177.300 -0.211 0.000 1.183 227 P CA 0.417 63.395 63.100 -0.203 0.000 0.763 227 P CB 0.307 31.823 31.700 -0.306 0.000 0.807 228 K N 0.689 121.034 120.400 -0.092 0.000 2.578 228 K HA 0.729 5.046 4.320 -0.006 0.000 0.269 228 K C -2.174 174.529 176.600 0.172 0.000 0.941 228 K CA -1.029 55.254 56.287 -0.006 0.000 0.847 228 K CB 1.740 34.214 32.500 -0.043 0.000 1.397 228 K HN 0.205 nan 8.250 nan 0.000 0.422 229 V N 2.460 122.560 119.914 0.311 0.000 3.012 229 V HA 0.625 4.741 4.120 -0.006 0.000 0.307 229 V C -2.238 173.985 176.094 0.215 0.000 1.166 229 V CA -0.543 61.900 62.300 0.239 0.000 0.974 229 V CB 2.161 34.093 31.823 0.182 0.000 1.040 229 V HN 0.817 nan 8.190 nan 0.000 0.428 230 Y N 5.275 125.496 120.300 -0.131 0.000 2.373 230 Y HA 0.525 5.072 4.550 -0.006 0.000 0.336 230 Y C 0.316 176.046 175.900 -0.283 0.000 0.979 230 Y CA -0.850 56.970 58.100 -0.467 0.000 1.080 230 Y CB 1.472 39.407 38.460 -0.874 0.000 1.190 230 Y HN 0.832 nan 8.280 nan 0.000 0.446 231 N N 4.917 123.173 118.700 -0.740 0.000 2.667 231 N HA -0.144 4.592 4.740 -0.006 0.000 0.263 231 N C -2.743 172.620 175.510 -0.244 0.000 1.038 231 N CA 0.825 53.565 53.050 -0.517 0.000 0.749 231 N CB -0.758 37.311 38.487 -0.696 0.000 0.892 231 N HN 0.513 nan 8.380 nan 0.000 0.546 232 P HA -0.047 nan 4.420 nan 0.000 0.267 232 P C 0.710 177.944 177.300 -0.109 0.000 1.200 232 P CA 0.092 63.126 63.100 -0.110 0.000 0.772 232 P CB 0.691 32.320 31.700 -0.117 0.000 0.855 233 Q N 1.334 121.080 119.800 -0.089 0.000 2.181 233 Q HA -0.156 4.181 4.340 -0.006 0.000 0.205 233 Q C 2.111 178.066 176.000 -0.075 0.000 0.980 233 Q CA 2.018 57.778 55.803 -0.071 0.000 0.862 233 Q CB -0.607 28.099 28.738 -0.053 0.000 0.905 233 Q HN 0.626 nan 8.270 nan 0.000 0.429 234 S N -0.372 115.254 115.700 -0.123 0.000 2.399 234 S HA -0.019 4.448 4.470 -0.006 0.000 0.231 234 S C 1.704 176.287 174.600 -0.028 0.000 1.022 234 S CA 0.775 58.899 58.200 -0.126 0.000 0.983 234 S CB -0.278 62.684 63.200 -0.397 0.000 0.803 234 S HN 0.620 nan 8.310 nan 0.000 0.480 235 G N 0.201 108.974 108.800 -0.044 0.000 2.175 235 G HA2 -0.185 3.772 3.960 -0.006 0.000 0.244 235 G HA3 -0.185 3.772 3.960 -0.006 0.000 0.244 235 G C -0.115 174.874 174.900 0.150 0.000 0.982 235 G CA 0.336 45.462 45.100 0.045 0.000 0.641 235 G HN 1.322 nan 8.290 nan 0.000 0.527 236 Y N -1.623 118.676 120.300 -0.002 0.000 2.656 236 Y HA 0.783 5.330 4.550 -0.006 0.000 0.334 236 Y C -1.158 174.762 175.900 0.033 0.000 1.179 236 Y CA -2.481 55.633 58.100 0.023 0.000 1.050 236 Y CB 0.954 39.425 38.460 0.019 0.000 1.308 236 Y HN 0.221 nan 8.280 nan 0.000 0.456 237 I N 2.420 123.138 120.570 0.246 0.000 2.499 237 I HA 0.811 4.978 4.170 -0.006 0.000 0.288 237 I C -0.823 175.457 176.117 0.272 0.000 1.048 237 I CA -1.023 60.371 61.300 0.156 0.000 1.062 237 I CB 1.975 40.101 38.000 0.209 0.000 1.238 237 I HN 0.929 nan 8.210 nan 0.000 0.426 238 A N 6.007 128.959 122.820 0.220 0.000 2.414 238 A HA 0.792 5.109 4.320 -0.006 0.000 0.306 238 A C -1.252 176.412 177.584 0.133 0.000 1.054 238 A CA -0.586 51.582 52.037 0.218 0.000 0.724 238 A CB 1.979 21.150 19.000 0.284 0.000 1.267 238 A HN 0.723 nan 8.150 nan 0.000 0.418 239 N N 0.999 119.786 118.700 0.144 0.000 2.405 239 N HA 0.308 5.044 4.740 -0.006 0.000 0.274 239 N C -1.997 173.692 175.510 0.297 0.000 1.170 239 N CA -0.193 52.979 53.050 0.203 0.000 0.848 239 N CB 1.892 40.563 38.487 0.307 0.000 1.629 239 N HN 0.702 nan 8.380 nan 0.000 0.481 240 W N 3.373 124.761 121.300 0.146 0.000 1.048 240 W HA 0.316 4.973 4.660 -0.006 0.000 0.296 240 W C -0.510 176.136 176.519 0.212 0.000 0.846 240 W CA -0.623 56.816 57.345 0.156 0.000 2.078 240 W CB -1.246 28.277 29.460 0.106 0.000 1.618 240 W HN 0.801 nan 8.180 nan 0.000 0.497 241 N N 1.299 120.320 118.700 0.535 0.000 2.776 241 N HA -0.255 4.481 4.740 -0.006 0.000 0.249 241 N C 0.019 175.887 175.510 0.597 0.000 1.111 241 N CA 1.178 54.599 53.050 0.618 0.000 0.711 241 N CB -1.241 37.645 38.487 0.665 0.000 1.065 241 N HN 0.410 nan 8.380 nan 0.000 0.556 242 N N -0.863 118.004 118.700 0.278 0.000 2.413 242 N HA 0.243 4.979 4.740 -0.006 0.000 0.266 242 N C -0.104 174.928 175.510 -0.796 0.000 1.238 242 N CA -0.485 52.476 53.050 -0.149 0.000 0.972 242 N CB 0.934 39.352 38.487 -0.115 0.000 1.210 242 N HN 0.063 nan 8.380 nan 0.000 0.547 243 S N -0.237 114.472 115.700 -1.650 0.000 2.552 243 S HA 0.087 4.554 4.470 -0.006 0.000 0.289 243 S C -1.406 172.758 174.600 -0.727 0.000 1.304 243 S CA -1.051 56.093 58.200 -1.761 0.000 1.063 243 S CB 0.157 62.809 63.200 -0.914 0.000 0.848 243 S HN 0.441 nan 8.310 nan 0.000 0.499 244 P HA 0.013 nan 4.420 nan 0.000 0.217 244 P C -0.001 177.191 177.300 -0.180 0.000 1.151 244 P CA 0.878 63.813 63.100 -0.275 0.000 0.828 244 P CB 0.162 31.553 31.700 -0.515 0.000 0.788 245 Q N -2.021 117.658 119.800 -0.203 0.000 2.578 245 Q HA 0.230 4.566 4.340 -0.006 0.000 0.284 245 Q C -1.144 174.849 176.000 -0.011 0.000 0.960 245 Q CA -0.908 54.844 55.803 -0.085 0.000 0.809 245 Q CB 1.645 30.330 28.738 -0.089 0.000 1.462 245 Q HN -0.264 nan 8.270 nan 0.000 0.392 246 K N 1.727 122.130 120.400 0.004 0.000 2.484 246 K HA -0.051 4.266 4.320 -0.006 0.000 0.280 246 K C -0.721 175.923 176.600 0.073 0.000 1.013 246 K CA 1.148 57.456 56.287 0.034 0.000 1.029 246 K CB 0.257 32.770 32.500 0.022 0.000 0.902 246 K HN 0.649 nan 8.250 nan 0.000 0.481 247 D N 1.232 121.689 120.400 0.095 0.000 3.006 247 D HA -0.259 4.378 4.640 -0.006 0.000 0.205 247 D C -0.836 175.543 176.300 0.132 0.000 1.075 247 D CA 0.950 55.008 54.000 0.097 0.000 1.000 247 D CB -1.537 39.302 40.800 0.064 0.000 1.097 247 D HN 0.572 nan 8.370 nan 0.000 0.426 248 Y N 2.234 122.559 120.300 0.042 0.000 2.335 248 Y HA 0.391 4.937 4.550 -0.006 0.000 0.331 248 Y C -1.875 174.146 175.900 0.202 0.000 1.094 248 Y CA -1.370 56.765 58.100 0.058 0.000 1.253 248 Y CB 0.918 39.357 38.460 -0.035 0.000 1.203 248 Y HN -0.162 nan 8.280 nan 0.000 0.508 249 P HA 0.339 nan 4.420 nan 0.000 0.284 249 P C -1.276 175.966 177.300 -0.097 0.000 1.253 249 P CA -0.370 62.650 63.100 -0.133 0.000 0.800 249 P CB 1.459 33.038 31.700 -0.202 0.000 0.961 250 A N 2.243 125.006 122.820 -0.094 0.000 2.252 250 A HA 0.450 4.767 4.320 -0.006 0.000 0.305 250 A C 0.655 178.108 177.584 -0.219 0.000 1.097 250 A CA -0.462 51.308 52.037 -0.445 0.000 0.849 250 A CB -0.044 18.476 19.000 -0.800 0.000 1.142 250 A HN 0.589 nan 8.150 nan 0.000 0.499 251 S N -0.885 114.676 115.700 -0.231 0.000 2.536 251 S HA -0.080 4.387 4.470 -0.006 0.000 0.290 251 S C 0.837 175.383 174.600 -0.089 0.000 1.302 251 S CA 0.800 58.922 58.200 -0.130 0.000 1.037 251 S CB 0.011 63.049 63.200 -0.269 0.000 0.804 251 S HN 0.790 nan 8.310 nan 0.000 0.506 252 D N 2.532 122.910 120.400 -0.038 0.000 2.349 252 D HA 0.067 4.703 4.640 -0.006 0.000 0.224 252 D C 0.465 176.752 176.300 -0.022 0.000 1.029 252 D CA 0.023 54.016 54.000 -0.012 0.000 0.879 252 D CB -0.508 40.301 40.800 0.014 0.000 0.906 252 D HN 0.467 nan 8.370 nan 0.000 0.528 253 L N 1.172 122.348 121.223 -0.077 0.000 2.615 253 L HA -0.044 4.293 4.340 -0.006 0.000 0.284 253 L C 1.311 178.089 176.870 -0.154 0.000 1.237 253 L CA -0.475 54.255 54.840 -0.183 0.000 0.905 253 L CB 0.154 42.073 42.059 -0.233 0.000 1.149 253 L HN 0.118 nan 8.230 nan 0.000 0.499 254 F N 1.697 121.571 119.950 -0.126 0.000 2.234 254 F HA 0.000 4.524 4.527 -0.005 0.000 0.299 254 F C 1.888 177.625 175.800 -0.105 0.000 1.087 254 F CA 0.729 58.664 58.000 -0.108 0.000 1.340 254 F CB -0.672 38.184 39.000 -0.240 0.000 1.031 254 F HN 0.409 nan 8.300 nan 0.000 0.500 255 A N -0.776 121.717 122.820 -0.545 0.000 2.276 255 A HA 0.190 4.506 4.320 -0.006 0.000 0.212 255 A C -0.114 177.402 177.584 -0.114 0.000 1.230 255 A CA -0.089 51.804 52.037 -0.239 0.000 0.844 255 A CB -1.281 17.455 19.000 -0.440 0.000 0.860 255 A HN 0.411 nan 8.150 nan 0.000 0.486 256 F N 0.061 119.863 119.950 -0.246 0.000 2.477 256 F HA 0.691 5.215 4.527 -0.006 0.000 0.335 256 F C -0.854 174.787 175.800 -0.265 0.000 1.130 256 F CA -1.074 56.749 58.000 -0.295 0.000 0.948 256 F CB 1.095 39.861 39.000 -0.389 0.000 1.154 256 F HN -0.051 nan 8.300 nan 0.000 0.439 257 L N 4.563 125.412 121.223 -0.623 0.000 2.424 257 L HA 0.421 4.757 4.340 -0.006 0.000 0.258 257 L C -1.631 174.978 176.870 -0.435 0.000 0.995 257 L CA -0.833 53.791 54.840 -0.361 0.000 0.821 257 L CB 2.466 44.456 42.059 -0.114 0.000 1.383 257 L HN 0.524 nan 8.230 nan 0.000 0.410 258 W N 1.688 122.919 121.300 -0.115 0.000 2.336 258 W HA 0.677 5.333 4.660 -0.006 0.000 0.315 258 W C 0.185 176.685 176.519 -0.032 0.000 1.016 258 W CA -0.966 56.333 57.345 -0.078 0.000 1.318 258 W CB 1.514 30.998 29.460 0.041 0.000 1.247 258 W HN 0.535 nan 8.180 nan 0.000 0.414 259 G N 0.290 109.182 108.800 0.154 0.000 3.176 259 G HA2 0.480 4.436 3.960 -0.006 0.000 0.272 259 G HA3 0.480 4.436 3.960 -0.006 0.000 0.272 259 G C 0.657 175.592 174.900 0.058 0.000 1.349 259 G CA -0.157 45.005 45.100 0.103 0.000 0.953 259 G HN 0.388 nan 8.290 nan 0.000 0.559 260 G N -0.566 108.285 108.800 0.084 0.000 2.443 260 G HA2 0.336 4.293 3.960 -0.006 0.000 0.219 260 G HA3 0.336 4.293 3.960 -0.006 0.000 0.219 260 G C 0.859 175.642 174.900 -0.196 0.000 1.131 260 G CA 1.407 46.540 45.100 0.056 0.000 0.775 260 G HN 1.092 nan 8.290 nan 0.000 0.547 261 A N 0.406 122.983 122.820 -0.405 0.000 2.276 261 A HA 0.563 4.879 4.320 -0.006 0.000 0.300 261 A C -0.772 176.639 177.584 -0.288 0.000 1.235 261 A CA -0.378 51.279 52.037 -0.634 0.000 0.867 261 A CB 0.540 19.125 19.000 -0.691 0.000 1.137 261 A HN 0.174 nan 8.150 nan 0.000 0.527 262 D N 1.812 122.068 120.400 -0.239 0.000 2.927 262 D HA 0.141 4.777 4.640 -0.006 0.000 0.219 262 D C 0.772 176.978 176.300 -0.157 0.000 1.248 262 D CA -0.449 53.459 54.000 -0.154 0.000 0.861 262 D CB 1.311 42.063 40.800 -0.080 0.000 1.677 262 D HN 0.624 nan 8.370 nan 0.000 0.511 263 R N 1.903 122.280 120.500 -0.205 0.000 2.339 263 R HA 0.025 4.362 4.340 -0.006 0.000 0.199 263 R C 1.425 177.750 176.300 0.042 0.000 1.018 263 R CA 0.283 56.245 56.100 -0.230 0.000 1.036 263 R CB -0.159 29.754 30.300 -0.645 0.000 0.899 263 R HN 0.173 nan 8.270 nan 0.000 0.473 264 V N 1.470 121.451 119.914 0.113 0.000 2.626 264 V HA -0.165 3.951 4.120 -0.006 0.000 0.252 264 V C 1.471 177.637 176.094 0.120 0.000 1.067 264 V CA 2.174 64.618 62.300 0.239 0.000 1.081 264 V CB -0.273 31.658 31.823 0.181 0.000 0.686 264 V HN 0.463 nan 8.190 nan 0.000 0.468 265 T N 0.096 114.667 114.554 0.028 0.000 2.849 265 T HA -0.143 4.204 4.350 -0.006 0.000 0.270 265 T C 1.703 176.391 174.700 -0.020 0.000 1.066 265 T CA 1.414 63.509 62.100 -0.008 0.000 1.130 265 T CB -0.246 68.591 68.868 -0.052 0.000 0.864 265 T HN 0.546 nan 8.240 nan 0.000 0.481 266 E N 0.840 121.045 120.200 0.008 0.000 2.153 266 E HA -0.016 4.330 4.350 -0.006 0.000 0.194 266 E C 2.135 178.688 176.600 -0.078 0.000 0.988 266 E CA 0.768 57.157 56.400 -0.017 0.000 0.811 266 E CB -0.252 29.491 29.700 0.071 0.000 0.746 266 E HN 0.545 nan 8.360 nan 0.000 0.466 267 I N 1.248 121.785 120.570 -0.055 0.000 2.333 267 I HA -0.195 3.971 4.170 -0.006 0.000 0.246 267 I C 1.822 177.785 176.117 -0.257 0.000 1.106 267 I CA 0.716 61.859 61.300 -0.262 0.000 1.411 267 I CB -0.138 37.730 38.000 -0.220 0.000 1.082 267 I HN -0.093 nan 8.210 nan 0.000 0.420 268 D N 1.414 121.750 120.400 -0.107 0.000 2.116 268 D HA -0.201 4.435 4.640 -0.006 0.000 0.193 268 D C 2.233 178.448 176.300 -0.142 0.000 0.998 268 D CA 1.435 55.390 54.000 -0.075 0.000 0.836 268 D CB -0.327 40.499 40.800 0.043 0.000 0.951 268 D HN 0.401 nan 8.370 nan 0.000 0.449 269 R N 0.612 121.038 120.500 -0.123 0.000 2.091 269 R HA -0.071 4.266 4.340 -0.006 0.000 0.238 269 R C 2.633 178.822 176.300 -0.185 0.000 1.136 269 R CA 0.894 56.917 56.100 -0.129 0.000 0.959 269 R CB -0.707 29.525 30.300 -0.114 0.000 0.856 269 R HN 0.231 nan 8.270 nan 0.000 0.437 270 L N 0.907 121.982 121.223 -0.247 0.000 2.141 270 L HA -0.098 4.239 4.340 -0.006 0.000 0.209 270 L C 2.343 179.015 176.870 -0.331 0.000 1.094 270 L CA 1.040 55.706 54.840 -0.291 0.000 0.763 270 L CB -0.436 41.407 42.059 -0.360 0.000 0.908 270 L HN 0.170 nan 8.230 nan 0.000 0.437 271 L N -0.873 120.096 121.223 -0.424 0.000 2.240 271 L HA -0.078 4.259 4.340 -0.006 0.000 0.211 271 L C 2.210 178.857 176.870 -0.371 0.000 1.106 271 L CA 0.785 55.322 54.840 -0.505 0.000 0.793 271 L CB -0.381 41.141 42.059 -0.894 0.000 0.927 271 L HN 0.237 nan 8.230 nan 0.000 0.446 272 E N -0.048 119.995 120.200 -0.263 0.000 2.358 272 E HA -0.180 4.166 4.350 -0.006 0.000 0.195 272 E C 2.052 178.590 176.600 -0.104 0.000 1.010 272 E CA 0.289 56.618 56.400 -0.118 0.000 0.856 272 E CB 0.112 29.788 29.700 -0.040 0.000 0.795 272 E HN 0.469 nan 8.360 nan 0.000 0.504 273 Q N 0.489 120.209 119.800 -0.133 0.000 2.226 273 Q HA -0.062 4.275 4.340 -0.006 0.000 0.204 273 Q C 0.213 176.155 176.000 -0.096 0.000 0.975 273 Q CA 1.003 56.740 55.803 -0.111 0.000 0.866 273 Q CB 0.311 28.971 28.738 -0.131 0.000 0.915 273 Q HN -0.059 nan 8.270 nan 0.000 0.440 274 K N -0.586 119.750 120.400 -0.107 0.000 2.345 274 K HA 0.188 4.504 4.320 -0.006 0.000 0.255 274 K C -2.102 174.456 176.600 -0.071 0.000 0.934 274 K CA -1.973 54.263 56.287 -0.086 0.000 0.801 274 K CB 1.835 34.277 32.500 -0.097 0.000 1.137 274 K HN -0.204 nan 8.250 nan 0.000 0.424 275 P HA -0.126 nan 4.420 nan 0.000 0.215 275 P C -0.340 176.944 177.300 -0.027 0.000 1.153 275 P CA 1.269 64.351 63.100 -0.030 0.000 0.853 275 P CB 0.384 32.071 31.700 -0.022 0.000 0.788 276 R N -1.632 118.848 120.500 -0.033 0.000 2.837 276 R HA 0.670 5.007 4.340 -0.006 0.000 0.271 276 R C -1.014 175.263 176.300 -0.039 0.000 0.993 276 R CA -0.967 55.117 56.100 -0.026 0.000 0.931 276 R CB 1.489 31.782 30.300 -0.012 0.000 1.206 276 R HN -0.126 nan 8.270 nan 0.000 0.474 277 L N 0.171 121.376 121.223 -0.031 0.000 2.370 277 L HA 0.503 4.840 4.340 -0.006 0.000 0.266 277 L C 0.255 177.119 176.870 -0.011 0.000 1.002 277 L CA -0.526 54.293 54.840 -0.034 0.000 0.818 277 L CB 2.246 44.279 42.059 -0.044 0.000 1.325 277 L HN 0.780 nan 8.230 nan 0.000 0.418 278 T N -1.593 112.952 114.554 -0.014 0.000 2.862 278 T HA 0.583 4.930 4.350 -0.006 0.000 0.276 278 T C 1.185 175.887 174.700 0.003 0.000 0.974 278 T CA -0.087 62.009 62.100 -0.006 0.000 0.966 278 T CB 1.353 70.209 68.868 -0.019 0.000 1.072 278 T HN 0.608 nan 8.240 nan 0.000 0.538 279 A N 0.673 123.491 122.820 -0.002 0.000 1.883 279 A HA -0.116 4.201 4.320 -0.006 0.000 0.217 279 A C 2.030 179.595 177.584 -0.030 0.000 1.186 279 A CA 1.848 53.877 52.037 -0.013 0.000 0.624 279 A CB -1.165 17.799 19.000 -0.060 0.000 0.822 279 A HN 0.901 nan 8.150 nan 0.000 0.444 280 D N -0.531 119.825 120.400 -0.073 0.000 2.144 280 D HA -0.139 4.497 4.640 -0.006 0.000 0.199 280 D C 2.196 178.502 176.300 0.011 0.000 0.984 280 D CA 1.423 55.386 54.000 -0.062 0.000 0.834 280 D CB -0.353 40.392 40.800 -0.092 0.000 0.955 280 D HN 0.659 nan 8.370 nan 0.000 0.465 281 Q N 0.127 119.922 119.800 -0.009 0.000 2.172 281 Q HA 0.011 4.348 4.340 -0.006 0.000 0.200 281 Q C 2.157 178.158 176.000 0.001 0.000 0.964 281 Q CA 1.113 56.901 55.803 -0.025 0.000 0.855 281 Q CB 0.005 28.713 28.738 -0.051 0.000 0.918 281 Q HN 0.193 nan 8.270 nan 0.000 0.444 282 A N 0.796 123.659 122.820 0.072 0.000 1.930 282 A HA -0.165 4.152 4.320 -0.006 0.000 0.217 282 A C 1.701 179.470 177.584 0.308 0.000 1.175 282 A CA 0.721 52.875 52.037 0.196 0.000 0.627 282 A CB -0.905 18.234 19.000 0.233 0.000 0.815 282 A HN 0.669 nan 8.150 nan 0.000 0.443 283 W N 0.800 122.108 121.300 0.012 0.000 2.436 283 W HA -0.127 4.529 4.660 -0.006 0.000 0.284 283 W C 1.060 177.565 176.519 -0.023 0.000 1.225 283 W CA 1.794 59.128 57.345 -0.017 0.000 1.271 283 W CB -0.136 29.232 29.460 -0.153 0.000 1.114 283 W HN 0.494 nan 8.180 nan 0.000 0.559 284 D N -0.092 120.317 120.400 0.017 0.000 2.347 284 D HA -0.119 4.518 4.640 -0.006 0.000 0.215 284 D C 2.049 178.207 176.300 -0.237 0.000 0.976 284 D CA 0.673 54.592 54.000 -0.135 0.000 0.884 284 D CB 0.048 40.792 40.800 -0.093 0.000 0.915 284 D HN -0.101 nan 8.370 nan 0.000 0.526 285 V N 0.390 120.173 119.914 -0.218 0.000 2.720 285 V HA -0.190 3.926 4.120 -0.006 0.000 0.256 285 V C 2.223 178.127 176.094 -0.317 0.000 1.082 285 V CA 0.964 63.025 62.300 -0.398 0.000 1.101 285 V CB -0.363 30.968 31.823 -0.819 0.000 0.693 285 V HN 0.325 nan 8.190 nan 0.000 0.479 286 I N -0.123 120.341 120.570 -0.176 0.000 2.163 286 I HA -0.229 3.938 4.170 -0.006 0.000 0.240 286 I C 2.717 178.663 176.117 -0.285 0.000 1.081 286 I CA 1.813 63.003 61.300 -0.184 0.000 1.353 286 I CB -0.442 37.312 38.000 -0.410 0.000 1.054 286 I HN 0.175 nan 8.210 nan 0.000 0.407 287 R N 0.920 121.103 120.500 -0.528 0.000 2.096 287 R HA -0.249 4.087 4.340 -0.006 0.000 0.240 287 R C 2.317 178.365 176.300 -0.419 0.000 1.139 287 R CA 1.946 57.548 56.100 -0.830 0.000 0.952 287 R CB -0.189 29.467 30.300 -1.072 0.000 0.854 287 R HN 0.442 nan 8.270 nan 0.000 0.436 288 Q N -0.505 119.094 119.800 -0.334 0.000 2.020 288 Q HA -0.148 4.188 4.340 -0.006 0.000 0.202 288 Q C 2.227 178.123 176.000 -0.172 0.000 0.982 288 Q CA 2.274 57.931 55.803 -0.243 0.000 0.838 288 Q CB -0.333 28.255 28.738 -0.250 0.000 0.899 288 Q HN 0.551 nan 8.270 nan 0.000 0.423 289 T N -1.502 112.944 114.554 -0.179 0.000 2.833 289 T HA -0.082 4.264 4.350 -0.006 0.000 0.269 289 T C 2.095 176.836 174.700 0.068 0.000 1.054 289 T CA 1.319 63.387 62.100 -0.054 0.000 1.135 289 T CB -0.341 68.419 68.868 -0.179 0.000 0.869 289 T HN 0.050 nan 8.240 nan 0.000 0.466 290 S N 1.505 117.222 115.700 0.029 0.000 2.387 290 S HA -0.066 4.401 4.470 -0.006 0.000 0.230 290 S C 2.031 176.711 174.600 0.133 0.000 1.035 290 S CA 1.258 59.523 58.200 0.108 0.000 1.014 290 S CB -0.269 63.006 63.200 0.124 0.000 0.836 290 S HN 0.583 nan 8.310 nan 0.000 0.466 291 R N 0.124 120.660 120.500 0.061 0.000 2.397 291 R HA 0.212 4.549 4.340 -0.006 0.000 0.241 291 R C 0.226 176.514 176.300 -0.021 0.000 0.914 291 R CA -0.121 56.010 56.100 0.051 0.000 1.071 291 R CB 0.293 30.595 30.300 0.003 0.000 1.116 291 R HN 0.199 nan 8.270 nan 0.000 0.524 292 Q N 1.944 121.734 119.800 -0.016 0.000 2.288 292 Q HA -0.000 4.336 4.340 -0.006 0.000 0.258 292 Q C -0.705 175.255 176.000 -0.065 0.000 0.957 292 Q CA -0.040 55.710 55.803 -0.089 0.000 0.919 292 Q CB 0.890 29.583 28.738 -0.074 0.000 1.185 292 Q HN -0.002 nan 8.270 nan 0.000 0.408 293 D N 4.138 124.452 120.400 -0.145 0.000 2.425 293 D HA -0.021 4.615 4.640 -0.006 0.000 0.247 293 D C 0.220 176.493 176.300 -0.044 0.000 1.147 293 D CA 0.129 54.117 54.000 -0.020 0.000 0.879 293 D CB 0.873 41.700 40.800 0.046 0.000 1.179 293 D HN 0.788 nan 8.370 nan 0.000 0.456 294 L N 3.386 124.591 121.223 -0.029 0.000 2.509 294 L HA 0.045 4.381 4.340 -0.006 0.000 0.222 294 L C 1.779 178.633 176.870 -0.026 0.000 1.123 294 L CA 0.064 54.858 54.840 -0.077 0.000 0.856 294 L CB -0.152 41.814 42.059 -0.155 0.000 0.985 294 L HN 0.389 nan 8.230 nan 0.000 0.456 295 N N -0.195 118.566 118.700 0.102 0.000 2.356 295 N HA -0.008 4.728 4.740 -0.006 0.000 0.178 295 N C 1.757 177.425 175.510 0.263 0.000 1.075 295 N CA 0.237 53.438 53.050 0.253 0.000 0.889 295 N CB 0.558 39.325 38.487 0.468 0.000 0.999 295 N HN 0.162 nan 8.380 nan 0.000 0.464 296 L N 2.559 123.880 121.223 0.163 0.000 1.971 296 L HA -0.169 4.168 4.340 -0.006 0.000 0.215 296 L C 2.536 179.437 176.870 0.051 0.000 1.072 296 L CA 1.791 56.700 54.840 0.116 0.000 0.758 296 L CB -0.578 41.453 42.059 -0.046 0.000 0.889 296 L HN 0.033 nan 8.230 nan 0.000 0.433 297 R N -0.661 119.819 120.500 -0.034 0.000 2.119 297 R HA -0.207 4.130 4.340 -0.006 0.000 0.246 297 R C 2.269 178.533 176.300 -0.060 0.000 1.146 297 R CA 2.214 58.278 56.100 -0.060 0.000 0.962 297 R CB -0.465 29.778 30.300 -0.095 0.000 0.863 297 R HN 0.519 nan 8.270 nan 0.000 0.442 298 L N -0.836 120.308 121.223 -0.132 0.000 2.056 298 L HA -0.103 4.233 4.340 -0.006 0.000 0.207 298 L C 1.415 178.107 176.870 -0.297 0.000 1.078 298 L CA 1.227 55.872 54.840 -0.326 0.000 0.749 298 L CB -0.132 41.497 42.059 -0.717 0.000 0.901 298 L HN 0.205 nan 8.230 nan 0.000 0.433 299 F N -2.223 117.841 119.950 0.190 0.000 2.706 299 F HA 0.116 4.640 4.527 -0.006 0.000 0.313 299 F C 1.554 177.358 175.800 0.007 0.000 1.096 299 F CA -0.351 57.751 58.000 0.171 0.000 1.219 299 F CB 0.021 39.188 39.000 0.278 0.000 1.051 299 F HN -0.155 nan 8.300 nan 0.000 0.568 300 L N 2.205 123.503 121.223 0.126 0.000 2.046 300 L HA 0.008 4.345 4.340 -0.006 0.000 0.208 300 L C -0.761 176.122 176.870 0.021 0.000 1.077 300 L CA 2.227 57.090 54.840 0.039 0.000 0.747 300 L CB -1.541 40.536 42.059 0.030 0.000 0.896 300 L HN -0.124 nan 8.230 nan 0.000 0.432 301 P HA -0.143 nan 4.420 nan 0.000 0.216 301 P C 1.567 178.888 177.300 0.035 0.000 1.153 301 P CA 1.939 65.054 63.100 0.025 0.000 0.858 301 P CB -0.183 31.532 31.700 0.024 0.000 0.789 302 T N -0.670 113.934 114.554 0.083 0.000 2.821 302 T HA -0.056 4.291 4.350 -0.006 0.000 0.267 302 T C 1.708 176.439 174.700 0.052 0.000 1.046 302 T CA 0.972 63.138 62.100 0.110 0.000 1.139 302 T CB -0.794 68.238 68.868 0.273 0.000 0.871 302 T HN 0.048 nan 8.240 nan 0.000 0.454 303 L N 0.544 121.748 121.223 -0.032 0.000 2.027 303 L HA -0.104 4.233 4.340 -0.006 0.000 0.206 303 L C 2.909 179.740 176.870 -0.066 0.000 1.074 303 L CA 1.366 56.129 54.840 -0.128 0.000 0.745 303 L CB -0.495 41.397 42.059 -0.278 0.000 0.898 303 L HN 0.258 nan 8.230 nan 0.000 0.433 304 Q N -0.399 119.375 119.800 -0.042 0.000 2.046 304 Q HA -0.180 4.156 4.340 -0.006 0.000 0.200 304 Q C 2.456 178.442 176.000 -0.023 0.000 0.975 304 Q CA 1.573 57.357 55.803 -0.032 0.000 0.836 304 Q CB -0.257 28.468 28.738 -0.022 0.000 0.896 304 Q HN 0.556 nan 8.270 nan 0.000 0.428 305 A N 1.060 123.872 122.820 -0.013 0.000 1.902 305 A HA -0.158 4.158 4.320 -0.006 0.000 0.217 305 A C 2.273 179.851 177.584 -0.011 0.000 1.181 305 A CA 1.697 53.727 52.037 -0.011 0.000 0.623 305 A CB -0.796 18.200 19.000 -0.007 0.000 0.818 305 A HN 0.413 nan 8.150 nan 0.000 0.443 306 A N -0.567 122.251 122.820 -0.003 0.000 1.930 306 A HA -0.052 4.265 4.320 -0.006 0.000 0.217 306 A C 2.217 179.798 177.584 -0.006 0.000 1.175 306 A CA 2.285 54.324 52.037 0.004 0.000 0.627 306 A CB -0.999 18.021 19.000 0.033 0.000 0.815 306 A HN 0.826 nan 8.150 nan 0.000 0.443 307 T N -2.518 112.025 114.554 -0.018 0.000 3.105 307 T HA 0.116 4.463 4.350 -0.006 0.000 0.253 307 T C 1.553 176.233 174.700 -0.032 0.000 1.047 307 T CA 0.865 62.948 62.100 -0.028 0.000 0.944 307 T CB -0.184 68.658 68.868 -0.043 0.000 1.016 307 T HN 0.550 nan 8.240 nan 0.000 0.544 308 S N 1.106 116.790 115.700 -0.027 0.000 2.423 308 S HA 0.097 4.564 4.470 -0.006 0.000 0.231 308 S C 2.019 176.603 174.600 -0.027 0.000 1.014 308 S CA 0.748 58.932 58.200 -0.027 0.000 0.965 308 S CB -0.871 62.315 63.200 -0.023 0.000 0.785 308 S HN 0.601 nan 8.310 nan 0.000 0.495 309 G N 0.788 109.573 108.800 -0.024 0.000 3.337 309 G HA2 0.451 4.408 3.960 -0.006 0.000 0.246 309 G HA3 0.451 4.408 3.960 -0.006 0.000 0.246 309 G C 0.178 175.062 174.900 -0.027 0.000 1.131 309 G CA -0.488 44.598 45.100 -0.024 0.000 0.773 309 G HN 0.404 nan 8.290 nan 0.000 0.544 310 L N 1.372 122.575 121.223 -0.033 0.000 2.399 310 L HA 0.401 4.737 4.340 -0.006 0.000 0.265 310 L C 1.088 177.930 176.870 -0.047 0.000 1.089 310 L CA -0.749 54.066 54.840 -0.041 0.000 0.802 310 L CB 1.408 43.438 42.059 -0.049 0.000 1.180 310 L HN 0.129 nan 8.230 nan 0.000 0.454 311 T N -2.435 112.088 114.554 -0.052 0.000 2.882 311 T HA 0.041 4.388 4.350 -0.006 0.000 0.287 311 T C 0.715 175.373 174.700 -0.071 0.000 1.014 311 T CA -0.537 61.531 62.100 -0.054 0.000 1.049 311 T CB 1.411 70.249 68.868 -0.049 0.000 1.001 311 T HN 0.701 nan 8.240 nan 0.000 0.525 312 Q N 0.777 120.536 119.800 -0.067 0.000 2.234 312 Q HA -0.170 4.166 4.340 -0.006 0.000 0.206 312 Q C 1.936 177.877 176.000 -0.099 0.000 0.980 312 Q CA 1.909 57.665 55.803 -0.079 0.000 0.869 312 Q CB -0.377 28.323 28.738 -0.063 0.000 0.912 312 Q HN 0.910 nan 8.270 nan 0.000 0.436 313 S N -0.478 115.166 115.700 -0.094 0.000 2.593 313 S HA -0.008 4.459 4.470 -0.006 0.000 0.217 313 S C 0.321 174.827 174.600 -0.157 0.000 0.966 313 S CA -0.111 58.021 58.200 -0.113 0.000 0.914 313 S CB 0.190 63.342 63.200 -0.079 0.000 0.776 313 S HN 0.270 nan 8.310 nan 0.000 0.523 314 D N 3.153 123.461 120.400 -0.153 0.000 2.343 314 D HA 0.227 4.864 4.640 -0.006 0.000 0.255 314 D C -1.690 174.436 176.300 -0.291 0.000 1.187 314 D CA -2.097 51.789 54.000 -0.189 0.000 0.875 314 D CB 1.749 42.472 40.800 -0.128 0.000 1.136 314 D HN 0.054 nan 8.370 nan 0.000 0.469 315 P HA -0.066 nan 4.420 nan 0.000 0.222 315 P C 1.147 178.146 177.300 -0.501 0.000 1.147 315 P CA 0.823 63.439 63.100 -0.807 0.000 0.790 315 P CB 0.329 30.941 31.700 -1.813 0.000 0.780 316 R N -0.236 120.093 120.500 -0.284 0.000 2.096 316 R HA -0.083 4.254 4.340 -0.006 0.000 0.235 316 R C 2.579 178.820 176.300 -0.098 0.000 1.127 316 R CA 1.361 57.400 56.100 -0.101 0.000 0.968 316 R CB -0.497 29.779 30.300 -0.040 0.000 0.861 316 R HN 0.141 nan 8.270 nan 0.000 0.440 317 R N 0.953 121.374 120.500 -0.131 0.000 2.073 317 R HA -0.090 4.247 4.340 -0.006 0.000 0.229 317 R C 2.066 178.294 176.300 -0.121 0.000 1.120 317 R CA 1.302 57.336 56.100 -0.109 0.000 0.967 317 R CB 0.042 30.281 30.300 -0.101 0.000 0.862 317 R HN 0.239 nan 8.270 nan 0.000 0.436 318 Q N 0.493 120.192 119.800 -0.169 0.000 2.061 318 Q HA -0.191 4.146 4.340 -0.006 0.000 0.204 318 Q C 2.269 178.190 176.000 -0.132 0.000 0.984 318 Q CA 1.805 57.507 55.803 -0.169 0.000 0.846 318 Q CB -0.175 28.413 28.738 -0.250 0.000 0.902 318 Q HN 0.412 nan 8.270 nan 0.000 0.421 319 L N 0.056 121.218 121.223 -0.101 0.000 2.043 319 L HA -0.213 4.124 4.340 -0.006 0.000 0.212 319 L C 2.337 179.175 176.870 -0.054 0.000 1.075 319 L CA 0.977 55.797 54.840 -0.033 0.000 0.752 319 L CB -0.473 41.623 42.059 0.062 0.000 0.891 319 L HN 0.114 nan 8.230 nan 0.000 0.432 320 V N -0.757 119.115 119.914 -0.070 0.000 2.719 320 V HA -0.168 3.949 4.120 -0.006 0.000 0.252 320 V C 2.255 178.318 176.094 -0.053 0.000 1.065 320 V CA 1.314 63.571 62.300 -0.071 0.000 1.086 320 V CB -0.403 31.370 31.823 -0.083 0.000 0.700 320 V HN 0.444 nan 8.190 nan 0.000 0.467 321 E N 0.238 120.400 120.200 -0.063 0.000 2.107 321 E HA -0.142 4.204 4.350 -0.006 0.000 0.191 321 E C 2.294 178.866 176.600 -0.046 0.000 0.982 321 E CA 1.597 57.966 56.400 -0.053 0.000 0.809 321 E CB -0.280 29.380 29.700 -0.066 0.000 0.756 321 E HN 0.568 nan 8.360 nan 0.000 0.459 322 T N 2.135 116.646 114.554 -0.071 0.000 2.665 322 T HA -0.167 4.180 4.350 -0.006 0.000 0.268 322 T C 1.993 176.682 174.700 -0.018 0.000 1.035 322 T CA 0.955 63.006 62.100 -0.081 0.000 1.151 322 T CB -0.220 68.561 68.868 -0.144 0.000 0.862 322 T HN 0.106 nan 8.240 nan 0.000 0.438 323 L N 0.537 121.771 121.223 0.018 0.000 2.093 323 L HA -0.090 4.247 4.340 -0.006 0.000 0.208 323 L C 2.832 179.795 176.870 0.154 0.000 1.085 323 L CA 1.158 56.079 54.840 0.134 0.000 0.755 323 L CB -0.853 41.259 42.059 0.088 0.000 0.904 323 L HN 0.299 nan 8.230 nan 0.000 0.435 324 T N -1.059 113.534 114.554 0.065 0.000 2.951 324 T HA -0.089 4.258 4.350 -0.006 0.000 0.268 324 T C 1.866 176.600 174.700 0.057 0.000 1.073 324 T CA 0.807 62.934 62.100 0.046 0.000 1.134 324 T CB -0.087 68.785 68.868 0.007 0.000 0.884 324 T HN 0.256 nan 8.240 nan 0.000 0.479 325 R N -0.711 119.830 120.500 0.068 0.000 2.313 325 R HA 0.088 4.424 4.340 -0.006 0.000 0.199 325 R C 0.088 176.478 176.300 0.150 0.000 0.958 325 R CA -0.048 56.092 56.100 0.068 0.000 1.047 325 R CB 0.189 30.509 30.300 0.033 0.000 0.955 325 R HN 0.312 nan 8.270 nan 0.000 0.481 326 W N 1.741 123.015 121.300 -0.044 0.000 2.516 326 W HA 0.118 4.775 4.660 -0.006 0.000 0.343 326 W C 0.086 176.577 176.519 -0.048 0.000 1.094 326 W CA -1.465 55.852 57.345 -0.046 0.000 1.250 326 W CB 1.065 30.498 29.460 -0.046 0.000 1.308 326 W HN 0.026 nan 8.180 nan 0.000 0.588 327 D N 1.162 121.403 120.400 -0.264 0.000 2.349 327 D HA 0.178 4.815 4.640 -0.006 0.000 0.214 327 D C 1.533 177.380 176.300 -0.755 0.000 1.063 327 D CA 0.441 54.212 54.000 -0.381 0.000 0.847 327 D CB -0.108 40.555 40.800 -0.228 0.000 0.933 327 D HN 0.775 nan 8.370 nan 0.000 0.513 328 G N 0.382 108.134 108.800 -1.747 0.000 2.159 328 G HA2 -0.237 3.720 3.960 -0.006 0.000 0.256 328 G HA3 -0.237 3.720 3.960 -0.006 0.000 0.256 328 G C -0.040 174.217 174.900 -1.072 0.000 0.977 328 G CA 0.101 43.947 45.100 -2.089 0.000 0.652 328 G HN 0.348 nan 8.290 nan 0.000 0.531 329 I N 1.598 121.780 120.570 -0.647 0.000 2.352 329 I HA 0.232 4.398 4.170 -0.006 0.000 0.290 329 I C 0.147 176.225 176.117 -0.064 0.000 1.036 329 I CA -0.874 60.271 61.300 -0.260 0.000 1.336 329 I CB 0.602 38.496 38.000 -0.177 0.000 1.407 329 I HN 0.022 nan 8.210 nan 0.000 0.497 330 N N 7.477 126.106 118.700 -0.119 0.000 2.529 330 N HA 0.504 5.241 4.740 -0.006 0.000 0.278 330 N C -0.625 174.840 175.510 -0.074 0.000 1.146 330 N CA -0.198 52.684 53.050 -0.279 0.000 0.980 330 N CB 1.938 39.798 38.487 -1.046 0.000 1.124 330 N HN 0.437 nan 8.380 nan 0.000 0.458 331 L N 2.119 123.376 121.223 0.058 0.000 2.431 331 L HA 0.434 4.771 4.340 -0.006 0.000 0.266 331 L C -0.170 176.912 176.870 0.354 0.000 0.978 331 L CA -0.714 54.244 54.840 0.197 0.000 0.822 331 L CB 2.189 44.327 42.059 0.132 0.000 1.310 331 L HN 0.234 nan 8.230 nan 0.000 0.409 332 L N 2.596 124.024 121.223 0.341 0.000 2.452 332 L HA 0.221 4.558 4.340 -0.006 0.000 0.267 332 L C 0.609 177.587 176.870 0.180 0.000 1.188 332 L CA -0.222 54.792 54.840 0.290 0.000 0.821 332 L CB 0.401 42.569 42.059 0.181 0.000 1.102 332 L HN 0.628 nan 8.230 nan 0.000 0.470 333 N N 0.840 119.623 118.700 0.138 0.000 2.322 333 N HA -0.004 4.733 4.740 -0.006 0.000 0.270 333 N C 0.386 175.937 175.510 0.068 0.000 1.286 333 N CA -0.324 52.780 53.050 0.091 0.000 0.948 333 N CB 0.430 38.956 38.487 0.066 0.000 1.164 333 N HN 0.505 nan 8.380 nan 0.000 0.551 334 D N -0.114 120.317 120.400 0.051 0.000 2.348 334 D HA -0.115 4.521 4.640 -0.006 0.000 0.216 334 D C 0.687 177.006 176.300 0.031 0.000 0.970 334 D CA 0.687 54.712 54.000 0.041 0.000 0.889 334 D CB -0.152 40.668 40.800 0.034 0.000 0.912 334 D HN 0.563 nan 8.370 nan 0.000 0.524 335 D N 0.036 120.452 120.400 0.026 0.000 2.348 335 D HA -0.005 4.631 4.640 -0.006 0.000 0.216 335 D C 1.675 177.979 176.300 0.008 0.000 0.970 335 D CA 0.870 54.878 54.000 0.014 0.000 0.889 335 D CB -0.534 40.270 40.800 0.006 0.000 0.912 335 D HN 0.169 nan 8.370 nan 0.000 0.524 336 G N 1.013 109.823 108.800 0.017 0.000 2.155 336 G HA2 -0.374 3.582 3.960 -0.006 0.000 0.257 336 G HA3 -0.374 3.582 3.960 -0.006 0.000 0.257 336 G C 0.768 175.655 174.900 -0.023 0.000 0.983 336 G CA 0.848 45.953 45.100 0.009 0.000 0.676 336 G HN 0.645 nan 8.290 nan 0.000 0.528 337 K N -1.440 118.935 120.400 -0.042 0.000 2.589 337 K HA 0.259 4.576 4.320 -0.006 0.000 0.218 337 K C 0.525 177.033 176.600 -0.153 0.000 1.468 337 K CA 0.630 56.860 56.287 -0.096 0.000 1.002 337 K CB 0.524 32.979 32.500 -0.076 0.000 1.200 337 K HN 0.710 nan 8.250 nan 0.000 0.614 338 T N -1.994 112.500 114.554 -0.100 0.000 2.907 338 T HA 0.464 4.811 4.350 -0.006 0.000 0.292 338 T C -0.880 173.826 174.700 0.010 0.000 1.043 338 T CA -0.748 61.291 62.100 -0.103 0.000 1.003 338 T CB 1.461 70.311 68.868 -0.030 0.000 1.084 338 T HN 0.128 nan 8.240 nan 0.000 0.483 339 W N 1.267 122.570 121.300 0.006 0.000 2.237 339 W HA 0.356 5.013 4.660 -0.006 0.000 0.335 339 W C 1.644 178.158 176.519 -0.008 0.000 1.230 339 W CA -1.006 56.352 57.345 0.020 0.000 1.253 339 W CB 0.698 30.176 29.460 0.030 0.000 1.129 339 W HN 0.922 nan 8.180 nan 0.000 0.590 340 Q N 0.314 120.265 119.800 0.252 0.000 2.167 340 Q HA -0.135 4.202 4.340 -0.006 0.000 0.202 340 Q C 0.323 176.339 176.000 0.026 0.000 0.970 340 Q CA 1.132 57.005 55.803 0.117 0.000 0.855 340 Q CB 0.278 29.081 28.738 0.107 0.000 0.911 340 Q HN 0.311 nan 8.270 nan 0.000 0.438 341 Q N -0.448 119.322 119.800 -0.050 0.000 2.394 341 Q HA 0.232 4.568 4.340 -0.006 0.000 0.273 341 Q C -2.154 173.647 176.000 -0.331 0.000 1.089 341 Q CA -1.834 53.800 55.803 -0.282 0.000 0.812 341 Q CB 1.677 30.045 28.738 -0.617 0.000 1.353 341 Q HN -0.012 nan 8.270 nan 0.000 0.438 342 P HA 0.049 nan 4.420 nan 0.000 0.257 342 P C 1.001 178.133 177.300 -0.280 0.000 1.281 342 P CA 0.279 63.289 63.100 -0.149 0.000 0.826 342 P CB 0.149 31.922 31.700 0.123 0.000 1.237 343 G N 0.952 109.308 108.800 -0.740 0.000 2.469 343 G HA2 -0.276 3.680 3.960 -0.006 0.000 0.219 343 G HA3 -0.276 3.680 3.960 -0.006 0.000 0.219 343 G C 1.655 176.403 174.900 -0.254 0.000 1.150 343 G CA 0.887 45.508 45.100 -0.799 0.000 0.763 343 G HN 0.249 nan 8.290 nan 0.000 0.561 344 S N 0.828 116.436 115.700 -0.153 0.000 2.371 344 S HA 0.096 4.563 4.470 -0.006 0.000 0.224 344 S C 2.781 177.270 174.600 -0.186 0.000 1.029 344 S CA 1.026 59.232 58.200 0.011 0.000 0.978 344 S CB -0.311 62.981 63.200 0.153 0.000 0.833 344 S HN 0.596 nan 8.310 nan 0.000 0.466 345 A N 1.412 124.192 122.820 -0.067 0.000 1.933 345 A HA -0.039 4.278 4.320 -0.006 0.000 0.218 345 A C 2.026 179.595 177.584 -0.026 0.000 1.175 345 A CA 1.098 53.098 52.037 -0.061 0.000 0.628 345 A CB -0.665 18.335 19.000 0.000 0.000 0.814 345 A HN 0.481 nan 8.150 nan 0.000 0.444 346 I N -0.483 120.108 120.570 0.034 0.000 2.163 346 I HA -0.252 3.915 4.170 -0.006 0.000 0.240 346 I C 2.365 178.565 176.117 0.139 0.000 1.081 346 I CA 1.162 62.533 61.300 0.119 0.000 1.353 346 I CB -0.327 37.746 38.000 0.121 0.000 1.054 346 I HN 0.278 nan 8.210 nan 0.000 0.407 347 L N 0.419 121.705 121.223 0.105 0.000 2.083 347 L HA -0.250 4.086 4.340 -0.006 0.000 0.209 347 L C 2.360 179.341 176.870 0.185 0.000 1.083 347 L CA 1.603 56.578 54.840 0.225 0.000 0.752 347 L CB -0.810 41.435 42.059 0.310 0.000 0.899 347 L HN 0.435 nan 8.230 nan 0.000 0.433 348 N N 0.047 118.651 118.700 -0.160 0.000 2.039 348 N HA -0.176 4.561 4.740 -0.006 0.000 0.193 348 N C 1.870 177.420 175.510 0.066 0.000 1.044 348 N CA 1.524 54.489 53.050 -0.141 0.000 0.847 348 N CB 0.114 38.348 38.487 -0.421 0.000 1.030 348 N HN 0.029 nan 8.380 nan 0.000 0.422 349 V N 0.182 120.134 119.914 0.064 0.000 2.332 349 V HA -0.213 3.904 4.120 -0.006 0.000 0.248 349 V C 1.934 178.119 176.094 0.152 0.000 1.055 349 V CA 1.899 64.256 62.300 0.096 0.000 1.038 349 V CB -0.866 31.009 31.823 0.086 0.000 0.651 349 V HN 0.546 nan 8.190 nan 0.000 0.450 350 W N 0.178 121.497 121.300 0.032 0.000 2.355 350 W HA -0.191 4.466 4.660 -0.006 0.000 0.309 350 W C 2.101 178.619 176.519 -0.002 0.000 1.206 350 W CA 1.565 58.929 57.345 0.031 0.000 1.284 350 W CB -0.395 29.091 29.460 0.042 0.000 1.145 350 W HN 0.172 nan 8.180 nan 0.000 0.502 351 L N 0.660 121.908 121.223 0.041 0.000 2.093 351 L HA -0.140 4.196 4.340 -0.006 0.000 0.208 351 L C 2.449 179.201 176.870 -0.197 0.000 1.085 351 L CA 2.501 57.201 54.840 -0.234 0.000 0.755 351 L CB -1.336 40.765 42.059 0.070 0.000 0.904 351 L HN -0.039 nan 8.230 nan 0.000 0.435 352 T N -1.953 112.567 114.554 -0.056 0.000 2.746 352 T HA -0.198 4.149 4.350 -0.006 0.000 0.267 352 T C 2.109 176.744 174.700 -0.109 0.000 1.039 352 T CA 1.607 63.680 62.100 -0.045 0.000 1.142 352 T CB -0.310 68.563 68.868 0.009 0.000 0.866 352 T HN 0.387 nan 8.240 nan 0.000 0.444 353 S N 0.444 116.054 115.700 -0.150 0.000 2.368 353 S HA -0.046 4.420 4.470 -0.006 0.000 0.224 353 S C 2.138 176.592 174.600 -0.244 0.000 1.029 353 S CA 0.743 58.850 58.200 -0.154 0.000 0.988 353 S CB -0.326 62.814 63.200 -0.099 0.000 0.838 353 S HN 0.211 nan 8.310 nan 0.000 0.462 354 M N 0.901 120.223 119.600 -0.464 0.000 2.159 354 M HA 0.001 4.477 4.480 -0.006 0.000 0.263 354 M C 2.083 178.193 176.300 -0.316 0.000 1.063 354 M CA 1.205 56.205 55.300 -0.501 0.000 1.110 354 M CB -1.293 30.726 32.600 -0.969 0.000 1.374 354 M HN 0.379 nan 8.290 nan 0.000 0.411 355 L N -0.465 120.607 121.223 -0.251 0.000 2.072 355 L HA -0.179 4.158 4.340 -0.006 0.000 0.205 355 L C 2.541 179.349 176.870 -0.103 0.000 1.079 355 L CA 1.029 55.782 54.840 -0.145 0.000 0.752 355 L CB -0.604 41.411 42.059 -0.073 0.000 0.906 355 L HN 0.280 nan 8.230 nan 0.000 0.436 356 K N 0.500 120.846 120.400 -0.090 0.000 2.152 356 K HA -0.187 4.130 4.320 -0.006 0.000 0.206 356 K C 2.176 178.732 176.600 -0.073 0.000 1.048 356 K CA 1.360 57.610 56.287 -0.062 0.000 0.933 356 K CB 0.082 32.553 32.500 -0.050 0.000 0.721 356 K HN 0.215 nan 8.250 nan 0.000 0.447 357 R N -0.422 120.019 120.500 -0.098 0.000 2.161 357 R HA -0.023 4.313 4.340 -0.006 0.000 0.213 357 R C 2.047 178.278 176.300 -0.115 0.000 1.055 357 R CA 1.550 57.599 56.100 -0.084 0.000 0.996 357 R CB 0.144 30.402 30.300 -0.069 0.000 0.901 357 R HN 0.445 nan 8.270 nan 0.000 0.456 358 T N -2.784 111.666 114.554 -0.172 0.000 3.571 358 T HA 0.077 4.424 4.350 -0.006 0.000 0.217 358 T C 1.878 176.455 174.700 -0.205 0.000 0.925 358 T CA 0.198 62.144 62.100 -0.256 0.000 1.376 358 T CB -0.649 67.970 68.868 -0.415 0.000 1.375 358 T HN -0.139 nan 8.240 nan 0.000 0.404 359 V N 2.240 122.042 119.914 -0.186 0.000 2.295 359 V HA -0.125 3.992 4.120 -0.006 0.000 0.246 359 V C 2.988 179.017 176.094 -0.108 0.000 1.049 359 V CA 1.675 63.877 62.300 -0.164 0.000 1.024 359 V CB -1.134 30.611 31.823 -0.130 0.000 0.648 359 V HN 0.424 nan 8.190 nan 0.000 0.447 360 V N 0.580 120.468 119.914 -0.043 0.000 2.324 360 V HA -0.313 3.804 4.120 -0.006 0.000 0.250 360 V C 2.783 178.858 176.094 -0.032 0.000 1.060 360 V CA 2.225 64.526 62.300 0.001 0.000 1.042 360 V CB -1.252 30.577 31.823 0.010 0.000 0.650 360 V HN 0.576 nan 8.190 nan 0.000 0.450 361 A N -0.226 122.560 122.820 -0.057 0.000 1.972 361 A HA -0.095 4.222 4.320 -0.006 0.000 0.219 361 A C 2.306 179.853 177.584 -0.061 0.000 1.169 361 A CA 2.013 54.016 52.037 -0.056 0.000 0.635 361 A CB -0.613 18.349 19.000 -0.063 0.000 0.810 361 A HN 0.615 nan 8.150 nan 0.000 0.446 362 A N -1.017 121.753 122.820 -0.084 0.000 2.119 362 A HA 0.400 4.717 4.320 -0.006 0.000 0.216 362 A C 0.727 178.263 177.584 -0.080 0.000 1.152 362 A CA 0.635 52.619 52.037 -0.087 0.000 0.708 362 A CB -0.197 18.733 19.000 -0.117 0.000 0.805 362 A HN 0.292 nan 8.150 nan 0.000 0.460 363 V N 2.032 121.905 119.914 -0.067 0.000 2.435 363 V HA 0.318 4.435 4.120 -0.006 0.000 0.290 363 V C -2.430 173.661 176.094 -0.006 0.000 1.030 363 V CA -2.037 60.238 62.300 -0.041 0.000 0.881 363 V CB 1.390 33.206 31.823 -0.011 0.000 0.983 363 V HN 0.189 nan 8.190 nan 0.000 0.445 364 P HA 0.160 nan 4.420 nan 0.000 0.268 364 P C -0.319 177.009 177.300 0.048 0.000 1.205 364 P CA -0.047 63.076 63.100 0.039 0.000 0.771 364 P CB 0.388 32.127 31.700 0.065 0.000 0.858 365 M N 4.453 124.030 119.600 -0.038 0.000 2.238 365 M HA 0.148 4.625 4.480 -0.006 0.000 0.347 365 M C -1.434 174.714 176.300 -0.252 0.000 1.173 365 M CA -1.012 54.196 55.300 -0.153 0.000 1.147 365 M CB 0.309 32.831 32.600 -0.129 0.000 1.547 365 M HN 0.261 nan 8.290 nan 0.000 0.455 366 P HA 0.201 nan 4.420 nan 0.000 0.269 366 P C 0.172 176.960 177.300 -0.853 0.000 1.478 366 P CA 0.194 62.931 63.100 -0.606 0.000 1.045 366 P CB -0.017 31.346 31.700 -0.562 0.000 1.512 367 F N 1.615 121.220 119.950 -0.575 0.000 2.558 367 F HA -0.076 4.447 4.527 -0.006 0.000 0.298 367 F C 2.117 177.583 175.800 -0.557 0.000 1.119 367 F CA 0.869 58.262 58.000 -1.012 0.000 1.451 367 F CB -0.793 37.656 39.000 -0.918 0.000 1.091 367 F HN 0.009 nan 8.300 nan 0.000 0.563 368 D N 1.069 121.387 120.400 -0.136 0.000 2.144 368 D HA -0.210 4.426 4.640 -0.006 0.000 0.199 368 D C 1.420 177.733 176.300 0.023 0.000 0.984 368 D CA 1.140 55.153 54.000 0.022 0.000 0.834 368 D CB -0.557 40.237 40.800 -0.009 0.000 0.955 368 D HN 0.259 nan 8.370 nan 0.000 0.465 369 K N -0.324 120.033 120.400 -0.071 0.000 2.442 369 K HA -0.100 4.216 4.320 -0.006 0.000 0.198 369 K C 1.687 178.369 176.600 0.136 0.000 1.044 369 K CA 0.464 56.762 56.287 0.018 0.000 0.948 369 K CB -0.190 32.311 32.500 0.001 0.000 0.762 369 K HN 0.321 nan 8.250 nan 0.000 0.472 370 W N -0.199 121.001 121.300 -0.166 0.000 2.595 370 W HA -0.058 4.599 4.660 -0.005 0.000 0.257 370 W C 0.918 177.160 176.519 -0.462 0.000 1.267 370 W CA 0.448 57.577 57.345 -0.360 0.000 1.300 370 W CB -0.532 28.451 29.460 -0.795 0.000 1.120 370 W HN 0.096 nan 8.180 nan 0.000 0.618 371 Y N -0.324 120.121 120.300 0.241 0.000 2.557 371 Y HA 0.064 4.611 4.550 -0.006 0.000 0.247 371 Y C 2.115 178.068 175.900 0.089 0.000 1.164 371 Y CA 0.313 58.508 58.100 0.159 0.000 1.218 371 Y CB -0.510 38.018 38.460 0.114 0.000 1.210 371 Y HN -0.132 nan 8.280 nan 0.000 0.529 372 S N -0.792 115.008 115.700 0.167 0.000 2.558 372 S HA 0.360 4.826 4.470 -0.006 0.000 0.217 372 S C 1.078 175.728 174.600 0.083 0.000 0.975 372 S CA -0.021 58.239 58.200 0.101 0.000 0.912 372 S CB -0.107 63.135 63.200 0.071 0.000 0.776 372 S HN 0.178 nan 8.310 nan 0.000 0.526 373 A N 2.042 124.918 122.820 0.094 0.000 2.388 373 A HA 0.595 4.912 4.320 -0.006 0.000 0.257 373 A C 1.265 178.904 177.584 0.091 0.000 1.095 373 A CA -0.036 52.052 52.037 0.084 0.000 0.791 373 A CB 0.502 19.547 19.000 0.074 0.000 1.029 373 A HN 0.511 nan 8.150 nan 0.000 0.489 374 S N 1.378 117.148 115.700 0.116 0.000 2.501 374 S HA 0.373 4.839 4.470 -0.006 0.000 0.220 374 S C 1.317 175.991 174.600 0.124 0.000 0.997 374 S CA 0.894 59.193 58.200 0.164 0.000 0.919 374 S CB 0.073 63.436 63.200 0.273 0.000 0.778 374 S HN 2.518 nan 8.310 nan 0.000 0.523 375 G N 0.002 108.837 108.800 0.059 0.000 2.179 375 G HA2 -0.240 3.717 3.960 -0.006 0.000 0.220 375 G HA3 -0.240 3.717 3.960 -0.006 0.000 0.220 375 G C 0.248 175.053 174.900 -0.157 0.000 0.990 375 G CA 0.199 45.245 45.100 -0.090 0.000 0.646 375 G HN 0.549 nan 8.290 nan 0.000 0.517 376 Y N 0.929 121.269 120.300 0.067 0.000 2.467 376 Y HA 0.444 4.991 4.550 -0.006 0.000 0.250 376 Y C 1.077 177.002 175.900 0.041 0.000 1.155 376 Y CA -0.233 57.909 58.100 0.071 0.000 1.249 376 Y CB 0.594 39.120 38.460 0.110 0.000 1.146 376 Y HN 0.243 nan 8.280 nan 0.000 0.524 377 E N 1.350 121.642 120.200 0.154 0.000 2.415 377 E HA 0.157 4.504 4.350 -0.006 0.000 0.260 377 E C 0.494 177.128 176.600 0.057 0.000 1.016 377 E CA 0.443 56.901 56.400 0.097 0.000 0.924 377 E CB 0.394 30.139 29.700 0.075 0.000 0.961 377 E HN 0.299 nan 8.360 nan 0.000 0.459 378 T N -0.661 113.918 114.554 0.040 0.000 2.681 378 T HA 0.711 5.058 4.350 -0.006 0.000 0.296 378 T C 0.052 174.760 174.700 0.012 0.000 1.157 378 T CA -0.653 61.453 62.100 0.010 0.000 1.025 378 T CB 1.492 70.340 68.868 -0.034 0.000 1.441 378 T HN 0.398 nan 8.240 nan 0.000 0.504 379 T N -2.231 112.327 114.554 0.008 0.000 2.718 379 T HA 0.447 4.794 4.350 -0.006 0.000 0.267 379 T C 1.076 175.773 174.700 -0.004 0.000 0.957 379 T CA -0.738 61.367 62.100 0.009 0.000 1.025 379 T CB 1.133 70.016 68.868 0.025 0.000 1.355 379 T HN 0.609 nan 8.240 nan 0.000 0.572 380 Q N -0.101 119.699 119.800 0.000 0.000 2.124 380 Q HA -0.148 4.188 4.340 -0.006 0.000 0.202 380 Q C 1.342 177.350 176.000 0.013 0.000 0.977 380 Q CA 1.673 57.471 55.803 -0.008 0.000 0.850 380 Q CB -0.269 28.463 28.738 -0.009 0.000 0.901 380 Q HN 0.601 nan 8.270 nan 0.000 0.429 381 D N -0.518 119.910 120.400 0.047 0.000 2.310 381 D HA 0.016 4.652 4.640 -0.006 0.000 0.212 381 D C 0.849 177.174 176.300 0.042 0.000 0.965 381 D CA 1.131 55.180 54.000 0.083 0.000 0.879 381 D CB 0.103 40.960 40.800 0.095 0.000 0.921 381 D HN 0.403 nan 8.370 nan 0.000 0.510 382 G N 0.531 109.335 108.800 0.006 0.000 2.661 382 G HA2 -0.149 3.807 3.960 -0.006 0.000 0.685 382 G HA3 -0.149 3.807 3.960 -0.006 0.000 0.685 382 G C -2.733 172.152 174.900 -0.025 0.000 1.298 382 G CA -1.082 43.996 45.100 -0.036 0.000 0.855 382 G HN -0.081 nan 8.290 nan 0.000 0.560 383 P HA 0.196 nan 4.420 nan 0.000 0.267 383 P C 1.227 178.636 177.300 0.182 0.000 1.200 383 P CA 0.839 63.931 63.100 -0.013 0.000 0.772 383 P CB 0.408 31.999 31.700 -0.181 0.000 0.855 384 T N -1.278 113.395 114.554 0.198 0.000 3.065 384 T HA 0.324 4.670 4.350 -0.006 0.000 0.252 384 T C 0.910 175.794 174.700 0.307 0.000 1.099 384 T CA 0.458 62.702 62.100 0.240 0.000 1.063 384 T CB -0.193 68.773 68.868 0.164 0.000 0.948 384 T HN 0.511 nan 8.240 nan 0.000 0.506 385 G N 1.240 110.243 108.800 0.339 0.000 3.058 385 G HA2 0.536 4.493 3.960 -0.006 0.000 0.282 385 G HA3 0.536 4.493 3.960 -0.006 0.000 0.282 385 G C -0.702 174.455 174.900 0.428 0.000 1.248 385 G CA -0.327 44.925 45.100 0.253 0.000 0.822 385 G HN 0.428 nan 8.290 nan 0.000 0.579 386 S N -0.696 115.177 115.700 0.288 0.000 2.585 386 S HA 0.519 4.986 4.470 -0.006 0.000 0.273 386 S C -0.079 174.675 174.600 0.258 0.000 1.339 386 S CA -0.408 58.011 58.200 0.364 0.000 1.028 386 S CB 1.067 64.432 63.200 0.276 0.000 0.906 386 S HN 0.411 nan 8.310 nan 0.000 0.528 387 L N 2.736 124.121 121.223 0.270 0.000 2.395 387 L HA 0.563 4.900 4.340 -0.006 0.000 0.269 387 L C 0.489 177.292 176.870 -0.111 0.000 1.133 387 L CA 0.434 55.306 54.840 0.053 0.000 0.812 387 L CB 0.648 42.763 42.059 0.092 0.000 1.125 387 L HN 0.910 nan 8.230 nan 0.000 0.452 388 N N 1.036 119.634 118.700 -0.170 0.000 2.902 388 N HA 0.464 5.200 4.740 -0.006 0.000 0.268 388 N C -1.180 174.199 175.510 -0.218 0.000 1.450 388 N CA -0.611 52.286 53.050 -0.254 0.000 0.819 388 N CB 1.225 39.579 38.487 -0.221 0.000 1.540 388 N HN 0.336 nan 8.380 nan 0.000 0.545 389 I N 1.363 121.809 120.570 -0.207 0.000 2.396 389 I HA 0.127 4.293 4.170 -0.006 0.000 0.289 389 I C 0.978 177.042 176.117 -0.088 0.000 1.056 389 I CA -0.299 60.926 61.300 -0.125 0.000 1.365 389 I CB 0.773 38.702 38.000 -0.119 0.000 1.407 389 I HN 0.466 nan 8.210 nan 0.000 0.509 390 S N 5.273 120.954 115.700 -0.031 0.000 2.573 390 S HA 0.087 4.554 4.470 -0.006 0.000 0.277 390 S C 1.417 176.038 174.600 0.036 0.000 1.346 390 S CA -0.747 57.453 58.200 -0.001 0.000 1.034 390 S CB 1.271 64.495 63.200 0.040 0.000 0.879 390 S HN 0.477 nan 8.310 nan 0.000 0.528 391 V N 1.712 121.654 119.914 0.046 0.000 2.332 391 V HA -0.050 4.067 4.120 -0.006 0.000 0.248 391 V C 2.676 178.894 176.094 0.207 0.000 1.055 391 V CA 2.016 64.379 62.300 0.107 0.000 1.038 391 V CB -2.257 29.685 31.823 0.199 0.000 0.651 391 V HN 0.994 nan 8.190 nan 0.000 0.450 392 G N 0.009 108.958 108.800 0.248 0.000 2.418 392 G HA2 -0.155 3.802 3.960 -0.006 0.000 0.217 392 G HA3 -0.155 3.802 3.960 -0.006 0.000 0.217 392 G C 1.723 176.724 174.900 0.168 0.000 1.158 392 G CA 1.233 46.478 45.100 0.242 0.000 0.771 392 G HN 0.772 nan 8.290 nan 0.000 0.545 393 A N 0.602 123.526 122.820 0.173 0.000 1.930 393 A HA 0.036 4.352 4.320 -0.006 0.000 0.217 393 A C 2.293 180.071 177.584 0.323 0.000 1.175 393 A CA 1.893 54.094 52.037 0.274 0.000 0.627 393 A CB -0.298 18.896 19.000 0.323 0.000 0.815 393 A HN 0.382 nan 8.150 nan 0.000 0.443 394 K N -0.589 119.922 120.400 0.185 0.000 2.097 394 K HA 0.036 4.352 4.320 -0.006 0.000 0.205 394 K C 1.686 178.405 176.600 0.199 0.000 1.050 394 K CA 1.268 57.645 56.287 0.150 0.000 0.938 394 K CB -0.256 32.275 32.500 0.052 0.000 0.718 394 K HN 0.525 nan 8.250 nan 0.000 0.442 395 I N 0.706 121.373 120.570 0.162 0.000 2.353 395 I HA -0.237 3.930 4.170 -0.006 0.000 0.248 395 I C 2.177 178.367 176.117 0.123 0.000 1.119 395 I CA 0.580 61.945 61.300 0.108 0.000 1.417 395 I CB -0.054 37.968 38.000 0.037 0.000 1.078 395 I HN 0.108 nan 8.210 nan 0.000 0.421 396 L N -0.112 121.211 121.223 0.166 0.000 2.141 396 L HA -0.243 4.093 4.340 -0.006 0.000 0.209 396 L C 2.419 179.501 176.870 0.353 0.000 1.094 396 L CA 1.753 56.701 54.840 0.180 0.000 0.763 396 L CB -0.745 41.388 42.059 0.123 0.000 0.908 396 L HN 0.235 nan 8.230 nan 0.000 0.437 397 Y N 0.154 120.636 120.300 0.303 0.000 2.200 397 Y HA -0.186 4.361 4.550 -0.006 0.000 0.290 397 Y C 2.372 178.356 175.900 0.140 0.000 1.137 397 Y CA 1.821 60.054 58.100 0.222 0.000 1.163 397 Y CB 0.048 38.530 38.460 0.036 0.000 0.988 397 Y HN 0.260 nan 8.280 nan 0.000 0.518 398 E N 0.408 120.733 120.200 0.208 0.000 2.077 398 E HA -0.211 4.135 4.350 -0.006 0.000 0.193 398 E C 2.425 179.053 176.600 0.047 0.000 0.989 398 E CA 1.158 57.613 56.400 0.092 0.000 0.800 398 E CB -0.761 29.006 29.700 0.112 0.000 0.746 398 E HN 0.578 nan 8.360 nan 0.000 0.452 399 A N 1.462 124.337 122.820 0.092 0.000 1.933 399 A HA -0.142 4.175 4.320 -0.006 0.000 0.218 399 A C 2.467 180.205 177.584 0.257 0.000 1.175 399 A CA 1.833 53.955 52.037 0.143 0.000 0.628 399 A CB -0.713 18.322 19.000 0.059 0.000 0.814 399 A HN 0.221 nan 8.150 nan 0.000 0.444 400 V N -2.814 117.239 119.914 0.231 0.000 3.380 400 V HA -0.063 4.053 4.120 -0.006 0.000 0.268 400 V C 1.582 177.665 176.094 -0.019 0.000 1.168 400 V CA 1.577 63.985 62.300 0.179 0.000 1.156 400 V CB -0.537 31.442 31.823 0.259 0.000 0.785 400 V HN 0.486 nan 8.190 nan 0.000 0.487 401 Q N 1.105 120.838 119.800 -0.110 0.000 2.389 401 Q HA 0.252 4.589 4.340 -0.006 0.000 0.204 401 Q C 1.619 177.590 176.000 -0.048 0.000 0.944 401 Q CA 0.932 56.648 55.803 -0.144 0.000 0.908 401 Q CB 0.183 28.804 28.738 -0.194 0.000 1.002 401 Q HN 0.930 nan 8.270 nan 0.000 0.493 402 G N 2.290 111.091 108.800 0.001 0.000 2.550 402 G HA2 -0.366 3.590 3.960 -0.006 0.000 0.277 402 G HA3 -0.366 3.590 3.960 -0.006 0.000 0.277 402 G C -0.099 174.808 174.900 0.012 0.000 1.190 402 G CA 0.325 45.434 45.100 0.015 0.000 0.971 402 G HN 0.434 nan 8.290 nan 0.000 0.559 403 D N 0.469 120.874 120.400 0.008 0.000 2.336 403 D HA 0.278 4.914 4.640 -0.006 0.000 0.229 403 D C 1.671 177.975 176.300 0.007 0.000 1.061 403 D CA 0.840 54.846 54.000 0.010 0.000 0.875 403 D CB 0.323 41.129 40.800 0.010 0.000 0.904 403 D HN 0.494 nan 8.370 nan 0.000 0.525 404 K N 0.313 120.713 120.400 -0.001 0.000 2.296 404 K HA 0.028 4.345 4.320 -0.006 0.000 0.200 404 K C 0.705 177.309 176.600 0.007 0.000 1.048 404 K CA 0.144 56.430 56.287 -0.002 0.000 0.966 404 K CB 0.220 32.709 32.500 -0.018 0.000 0.754 404 K HN 0.104 nan 8.250 nan 0.000 0.466 405 S N 0.948 116.653 115.700 0.008 0.000 2.545 405 S HA 0.163 4.630 4.470 -0.006 0.000 0.275 405 S C -1.552 173.068 174.600 0.033 0.000 1.299 405 S CA -1.474 56.743 58.200 0.027 0.000 1.048 405 S CB 0.968 64.186 63.200 0.030 0.000 0.938 405 S HN 0.070 nan 8.310 nan 0.000 0.496 406 P HA 0.099 nan 4.420 nan 0.000 0.233 406 P C -0.054 177.271 177.300 0.040 0.000 1.167 406 P CA 0.279 63.403 63.100 0.040 0.000 0.770 406 P CB -0.025 31.702 31.700 0.047 0.000 0.837 407 I N 2.461 123.058 120.570 0.045 0.000 2.352 407 I HA 0.251 4.418 4.170 -0.006 0.000 0.290 407 I C -2.298 173.837 176.117 0.031 0.000 1.036 407 I CA -3.477 57.848 61.300 0.040 0.000 1.336 407 I CB 0.266 38.294 38.000 0.048 0.000 1.407 407 I HN -0.191 nan 8.210 nan 0.000 0.497 408 P HA 0.096 nan 4.420 nan 0.000 0.271 408 P C -0.531 176.777 177.300 0.014 0.000 1.226 408 P CA -0.281 62.831 63.100 0.019 0.000 0.765 408 P CB 0.346 32.056 31.700 0.016 0.000 0.835 409 Q N 2.767 122.576 119.800 0.016 0.000 2.844 409 Q HA 0.203 4.539 4.340 -0.006 0.000 0.235 409 Q C 1.299 177.301 176.000 0.003 0.000 1.336 409 Q CA -0.225 55.585 55.803 0.011 0.000 1.026 409 Q CB 0.396 29.150 28.738 0.025 0.000 1.513 409 Q HN 0.484 nan 8.270 nan 0.000 0.577 410 A N 2.169 124.985 122.820 -0.006 0.000 1.892 410 A HA -0.102 4.215 4.320 -0.006 0.000 0.218 410 A C 1.134 178.709 177.584 -0.015 0.000 1.188 410 A CA 1.540 53.571 52.037 -0.010 0.000 0.631 410 A CB -0.114 18.877 19.000 -0.016 0.000 0.822 410 A HN 0.441 nan 8.150 nan 0.000 0.447 411 V N -1.672 118.226 119.914 -0.026 0.000 2.630 411 V HA 0.553 4.669 4.120 -0.006 0.000 0.305 411 V C -0.698 175.382 176.094 -0.023 0.000 1.046 411 V CA -1.042 61.240 62.300 -0.030 0.000 0.934 411 V CB 1.609 33.402 31.823 -0.051 0.000 1.003 411 V HN 0.298 nan 8.190 nan 0.000 0.451 412 D N 2.172 122.567 120.400 -0.008 0.000 2.295 412 D HA 0.317 4.953 4.640 -0.006 0.000 0.248 412 D C 0.677 176.958 176.300 -0.033 0.000 1.154 412 D CA -0.123 53.888 54.000 0.017 0.000 0.857 412 D CB 1.383 42.217 40.800 0.057 0.000 1.117 412 D HN 0.556 nan 8.370 nan 0.000 0.468 413 L N 2.955 124.110 121.223 -0.113 0.000 2.313 413 L HA 0.001 4.338 4.340 -0.006 0.000 0.214 413 L C 1.152 177.796 176.870 -0.377 0.000 1.119 413 L CA 0.394 55.063 54.840 -0.285 0.000 0.809 413 L CB -0.157 41.642 42.059 -0.433 0.000 0.933 413 L HN 0.460 nan 8.230 nan 0.000 0.449 414 F N 0.190 120.133 119.950 -0.012 0.000 2.773 414 F HA 0.258 4.782 4.527 -0.006 0.000 0.304 414 F C 1.604 177.399 175.800 -0.007 0.000 1.129 414 F CA 0.110 58.106 58.000 -0.008 0.000 1.378 414 F CB -0.633 38.369 39.000 0.003 0.000 1.095 414 F HN 0.018 nan 8.300 nan 0.000 0.565 415 A N 0.606 123.480 122.820 0.090 0.000 2.462 415 A HA 0.009 4.326 4.320 -0.006 0.000 0.294 415 A C 1.843 179.467 177.584 0.067 0.000 1.461 415 A CA 1.045 53.114 52.037 0.053 0.000 0.765 415 A CB -1.815 17.197 19.000 0.021 0.000 1.071 415 A HN 1.395 nan 8.150 nan 0.000 0.401 416 G N -1.556 107.293 108.800 0.082 0.000 2.253 416 G HA2 -0.301 3.655 3.960 -0.006 0.000 0.251 416 G HA3 -0.301 3.655 3.960 -0.006 0.000 0.251 416 G C 0.203 175.139 174.900 0.060 0.000 0.998 416 G CA 0.968 46.104 45.100 0.060 0.000 0.621 416 G HN 1.269 nan 8.290 nan 0.000 0.524 417 K N 1.375 121.826 120.400 0.086 0.000 2.144 417 K HA 0.512 4.829 4.320 -0.006 0.000 0.270 417 K C -2.560 174.055 176.600 0.025 0.000 1.005 417 K CA -1.864 54.459 56.287 0.061 0.000 0.932 417 K CB 0.815 33.361 32.500 0.076 0.000 1.021 417 K HN 0.022 nan 8.250 nan 0.000 0.462 418 P HA -0.050 nan 4.420 nan 0.000 0.265 418 P C 0.298 177.485 177.300 -0.189 0.000 1.193 418 P CA 0.132 63.179 63.100 -0.088 0.000 0.765 418 P CB 0.548 32.215 31.700 -0.056 0.000 0.823 419 Q N 1.996 121.558 119.800 -0.396 0.000 2.096 419 Q HA -0.335 4.002 4.340 -0.006 0.000 0.208 419 Q C 2.059 177.905 176.000 -0.256 0.000 0.993 419 Q CA 2.192 57.593 55.803 -0.671 0.000 0.862 419 Q CB -0.165 28.186 28.738 -0.646 0.000 0.915 419 Q HN 0.614 nan 8.270 nan 0.000 0.416 420 Q N 0.638 120.357 119.800 -0.134 0.000 2.152 420 Q HA -0.275 4.061 4.340 -0.006 0.000 0.206 420 Q C 1.810 177.817 176.000 0.011 0.000 0.985 420 Q CA 1.997 57.781 55.803 -0.032 0.000 0.863 420 Q CB -0.205 28.516 28.738 -0.028 0.000 0.904 420 Q HN 0.434 nan 8.270 nan 0.000 0.422 421 E N -0.212 119.987 120.200 -0.001 0.000 2.077 421 E HA -0.163 4.184 4.350 -0.006 0.000 0.193 421 E C 1.927 178.570 176.600 0.071 0.000 0.989 421 E CA 1.504 57.924 56.400 0.033 0.000 0.800 421 E CB 0.078 29.792 29.700 0.023 0.000 0.746 421 E HN 0.361 nan 8.360 nan 0.000 0.452 422 V N 0.542 120.510 119.914 0.090 0.000 2.427 422 V HA -0.199 3.917 4.120 -0.006 0.000 0.248 422 V C 2.390 178.591 176.094 0.177 0.000 1.051 422 V CA 1.220 63.611 62.300 0.153 0.000 1.048 422 V CB -0.162 31.837 31.823 0.293 0.000 0.666 422 V HN 0.204 nan 8.190 nan 0.000 0.456 423 V N -0.076 119.961 119.914 0.205 0.000 2.358 423 V HA -0.224 3.893 4.120 -0.006 0.000 0.246 423 V C 2.295 178.586 176.094 0.327 0.000 1.047 423 V CA 1.901 64.413 62.300 0.354 0.000 1.035 423 V CB -0.486 31.535 31.823 0.331 0.000 0.658 423 V HN 0.441 nan 8.190 nan 0.000 0.452 424 L N 0.042 121.376 121.223 0.185 0.000 2.141 424 L HA -0.096 4.241 4.340 -0.006 0.000 0.209 424 L C 2.679 179.638 176.870 0.149 0.000 1.094 424 L CA 1.336 56.263 54.840 0.145 0.000 0.763 424 L CB -0.746 41.361 42.059 0.080 0.000 0.908 424 L HN 0.343 nan 8.230 nan 0.000 0.437 425 A N 0.099 122.997 122.820 0.131 0.000 1.933 425 A HA -0.131 4.186 4.320 -0.006 0.000 0.218 425 A C 2.523 180.186 177.584 0.132 0.000 1.175 425 A CA 1.638 53.742 52.037 0.111 0.000 0.628 425 A CB -0.588 18.462 19.000 0.083 0.000 0.814 425 A HN 0.383 nan 8.150 nan 0.000 0.444 426 A N -0.481 122.432 122.820 0.155 0.000 1.930 426 A HA 0.061 4.378 4.320 -0.006 0.000 0.217 426 A C 2.102 179.875 177.584 0.316 0.000 1.175 426 A CA 1.246 53.362 52.037 0.131 0.000 0.627 426 A CB -0.489 18.452 19.000 -0.099 0.000 0.815 426 A HN 0.453 nan 8.150 nan 0.000 0.443 427 L N -0.713 120.753 121.223 0.406 0.000 2.201 427 L HA -0.169 4.168 4.340 -0.006 0.000 0.212 427 L C 2.583 179.618 176.870 0.276 0.000 1.105 427 L CA 1.628 56.682 54.840 0.357 0.000 0.775 427 L CB -0.285 41.915 42.059 0.235 0.000 0.913 427 L HN 0.666 nan 8.230 nan 0.000 0.440 428 E N 0.211 120.544 120.200 0.221 0.000 2.072 428 E HA -0.231 4.115 4.350 -0.006 0.000 0.190 428 E C 1.550 178.286 176.600 0.227 0.000 0.982 428 E CA 1.350 57.877 56.400 0.213 0.000 0.803 428 E CB 0.146 29.934 29.700 0.147 0.000 0.755 428 E HN 0.364 nan 8.360 nan 0.000 0.453 429 D N 0.058 120.564 120.400 0.177 0.000 2.117 429 D HA -0.131 4.506 4.640 -0.006 0.000 0.197 429 D C 1.923 178.316 176.300 0.154 0.000 0.987 429 D CA 1.756 55.836 54.000 0.134 0.000 0.829 429 D CB -0.466 40.389 40.800 0.090 0.000 0.961 429 D HN 0.225 nan 8.370 nan 0.000 0.460 430 T N 0.189 114.876 114.554 0.222 0.000 2.777 430 T HA -0.150 4.196 4.350 -0.006 0.000 0.266 430 T C 1.676 176.532 174.700 0.261 0.000 1.040 430 T CA 0.721 62.962 62.100 0.234 0.000 1.141 430 T CB -0.319 68.739 68.868 0.317 0.000 0.868 430 T HN 0.375 nan 8.240 nan 0.000 0.444 431 W N 2.461 123.857 121.300 0.159 0.000 2.358 431 W HA -0.110 4.547 4.660 -0.006 0.000 0.303 431 W C 2.103 178.704 176.519 0.137 0.000 1.208 431 W CA 1.419 58.871 57.345 0.179 0.000 1.274 431 W CB -0.185 29.361 29.460 0.143 0.000 1.138 431 W HN 0.337 nan 8.180 nan 0.000 0.515 432 E N -0.184 120.064 120.200 0.080 0.000 2.051 432 E HA -0.203 4.144 4.350 -0.006 0.000 0.192 432 E C 1.967 178.478 176.600 -0.149 0.000 0.991 432 E CA 2.364 58.733 56.400 -0.052 0.000 0.799 432 E CB -0.353 29.378 29.700 0.052 0.000 0.748 432 E HN 0.087 nan 8.360 nan 0.000 0.449 433 T N 1.810 116.310 114.554 -0.090 0.000 2.674 433 T HA -0.109 4.238 4.350 -0.006 0.000 0.265 433 T C 2.030 176.592 174.700 -0.230 0.000 1.039 433 T CA 1.247 63.269 62.100 -0.129 0.000 1.150 433 T CB -0.202 68.628 68.868 -0.063 0.000 0.864 433 T HN 0.139 nan 8.240 nan 0.000 0.427 434 L N 1.413 122.498 121.223 -0.230 0.000 2.027 434 L HA -0.079 4.258 4.340 -0.006 0.000 0.206 434 L C 2.963 179.491 176.870 -0.570 0.000 1.074 434 L CA 1.516 56.122 54.840 -0.390 0.000 0.745 434 L CB -0.799 41.063 42.059 -0.330 0.000 0.898 434 L HN 0.384 nan 8.230 nan 0.000 0.433 435 S N -0.649 114.701 115.700 -0.583 0.000 2.419 435 S HA -0.211 4.255 4.470 -0.006 0.000 0.233 435 S C 1.993 176.363 174.600 -0.384 0.000 1.016 435 S CA 0.907 58.764 58.200 -0.572 0.000 0.974 435 S CB -0.281 62.199 63.200 -1.200 0.000 0.786 435 S HN 0.306 nan 8.310 nan 0.000 0.492 436 K N 1.440 121.623 120.400 -0.363 0.000 2.097 436 K HA -0.063 4.254 4.320 -0.006 0.000 0.205 436 K C 2.570 178.982 176.600 -0.314 0.000 1.050 436 K CA 1.301 57.429 56.287 -0.266 0.000 0.938 436 K CB -0.141 32.227 32.500 -0.219 0.000 0.718 436 K HN 0.570 nan 8.250 nan 0.000 0.442 437 R N -1.005 119.209 120.500 -0.477 0.000 2.112 437 R HA -0.059 4.277 4.340 -0.006 0.000 0.216 437 R C 1.248 177.097 176.300 -0.751 0.000 1.080 437 R CA 1.035 56.746 56.100 -0.648 0.000 0.996 437 R CB -0.030 29.745 30.300 -0.875 0.000 0.902 437 R HN 0.109 nan 8.270 nan 0.000 0.449 438 Y N -0.282 119.750 120.300 -0.447 0.000 2.481 438 Y HA 0.433 4.980 4.550 -0.006 0.000 0.258 438 Y C 1.025 176.841 175.900 -0.141 0.000 1.103 438 Y CA 0.417 58.261 58.100 -0.427 0.000 1.287 438 Y CB 1.009 38.838 38.460 -1.052 0.000 1.108 438 Y HN 0.383 nan 8.280 nan 0.000 0.529 439 G N 0.474 109.279 108.800 0.009 0.000 2.498 439 G HA2 -0.227 3.729 3.960 -0.006 0.000 0.651 439 G HA3 -0.227 3.729 3.960 -0.006 0.000 0.651 439 G C 0.015 175.090 174.900 0.292 0.000 1.284 439 G CA -0.217 44.967 45.100 0.139 0.000 0.950 439 G HN 0.149 nan 8.290 nan 0.000 0.511 440 N N 0.052 118.917 118.700 0.274 0.000 2.325 440 N HA -0.018 4.719 4.740 -0.006 0.000 0.182 440 N C 0.715 176.430 175.510 0.343 0.000 1.088 440 N CA 0.263 53.539 53.050 0.376 0.000 0.879 440 N CB 0.391 39.092 38.487 0.358 0.000 0.983 440 N HN 0.602 nan 8.380 nan 0.000 0.471 441 N N 1.534 120.375 118.700 0.235 0.000 2.469 441 N HA 0.094 4.831 4.740 -0.006 0.000 0.239 441 N C 1.030 176.437 175.510 -0.172 0.000 1.053 441 N CA -0.281 52.808 53.050 0.065 0.000 0.937 441 N CB 0.975 39.509 38.487 0.078 0.000 1.163 441 N HN -0.264 nan 8.380 nan 0.000 0.509 442 V N 2.664 122.284 119.914 -0.490 0.000 2.392 442 V HA -0.212 3.904 4.120 -0.006 0.000 0.249 442 V C 2.014 177.708 176.094 -0.667 0.000 1.059 442 V CA 1.570 63.162 62.300 -1.180 0.000 1.051 442 V CB -0.318 30.985 31.823 -0.866 0.000 0.658 442 V HN 0.659 nan 8.190 nan 0.000 0.455 443 S N 0.875 116.390 115.700 -0.309 0.000 2.507 443 S HA -0.121 4.345 4.470 -0.006 0.000 0.235 443 S C 1.354 175.914 174.600 -0.067 0.000 0.988 443 S CA 1.315 59.418 58.200 -0.161 0.000 0.944 443 S CB -0.603 62.536 63.200 -0.102 0.000 0.762 443 S HN 0.963 nan 8.310 nan 0.000 0.526 444 N N -1.113 117.587 118.700 0.001 0.000 2.234 444 N HA 0.030 4.767 4.740 -0.006 0.000 0.227 444 N C -0.899 174.724 175.510 0.189 0.000 1.151 444 N CA -0.456 52.645 53.050 0.084 0.000 0.865 444 N CB 0.095 38.635 38.487 0.088 0.000 1.066 444 N HN 0.178 nan 8.380 nan 0.000 0.515 445 W N 2.618 123.853 121.300 -0.108 0.000 2.381 445 W HA 0.236 4.893 4.660 -0.006 0.000 0.321 445 W C 0.339 176.693 176.519 -0.277 0.000 1.407 445 W CA -0.679 56.511 57.345 -0.257 0.000 1.274 445 W CB 0.407 29.671 29.460 -0.327 0.000 1.310 445 W HN -0.096 nan 8.180 nan 0.000 0.551 446 K N 3.266 123.593 120.400 -0.122 0.000 2.478 446 K HA 0.209 4.525 4.320 -0.006 0.000 0.236 446 K C 0.256 176.749 176.600 -0.179 0.000 1.021 446 K CA -0.292 55.949 56.287 -0.078 0.000 1.010 446 K CB 0.816 33.314 32.500 -0.003 0.000 1.331 446 K HN 0.383 nan 8.250 nan 0.000 0.470 447 T N -0.451 113.996 114.554 -0.180 0.000 2.918 447 T HA 0.412 4.758 4.350 -0.006 0.000 0.283 447 T C -2.437 172.215 174.700 -0.081 0.000 1.001 447 T CA -2.190 59.804 62.100 -0.175 0.000 1.041 447 T CB 1.235 70.024 68.868 -0.132 0.000 1.028 447 T HN 0.171 nan 8.240 nan 0.000 0.511 448 P HA 0.377 nan 4.420 nan 0.000 0.282 448 P C -0.430 176.563 177.300 -0.512 0.000 1.262 448 P CA -0.361 62.613 63.100 -0.210 0.000 0.773 448 P CB 0.431 32.050 31.700 -0.135 0.000 0.879 449 A N 4.967 127.317 122.820 -0.783 0.000 2.313 449 A HA 0.458 4.774 4.320 -0.006 0.000 0.261 449 A C 0.487 177.521 177.584 -0.916 0.000 1.090 449 A CA -0.493 50.566 52.037 -1.630 0.000 0.807 449 A CB 0.033 18.226 19.000 -1.345 0.000 1.055 449 A HN 0.524 nan 8.150 nan 0.000 0.492 450 M N 0.842 119.966 119.600 -0.793 0.000 2.274 450 M HA 0.469 4.945 4.480 -0.006 0.000 0.344 450 M C 0.446 176.698 176.300 -0.080 0.000 1.161 450 M CA 0.045 55.194 55.300 -0.252 0.000 1.126 450 M CB 1.421 33.964 32.600 -0.094 0.000 1.522 450 M HN 0.835 nan 8.290 nan 0.000 0.461 451 A N 2.332 125.127 122.820 -0.043 0.000 2.282 451 A HA 0.900 5.216 4.320 -0.006 0.000 0.324 451 A C -1.522 176.086 177.584 0.040 0.000 1.119 451 A CA -0.671 51.374 52.037 0.013 0.000 0.880 451 A CB 1.198 20.197 19.000 -0.002 0.000 1.294 451 A HN 0.704 nan 8.150 nan 0.000 0.493 452 L N -0.290 120.920 121.223 -0.021 0.000 2.385 452 L HA 0.699 5.035 4.340 -0.006 0.000 0.273 452 L C -0.627 176.132 176.870 -0.185 0.000 0.990 452 L CA 0.280 54.994 54.840 -0.210 0.000 0.821 452 L CB 2.164 43.957 42.059 -0.443 0.000 1.279 452 L HN 0.623 nan 8.230 nan 0.000 0.412 453 T N 5.042 119.459 114.554 -0.228 0.000 2.807 453 T HA 0.519 4.865 4.350 -0.006 0.000 0.279 453 T C -0.796 173.758 174.700 -0.243 0.000 0.993 453 T CA 0.071 62.063 62.100 -0.179 0.000 0.970 453 T CB 0.589 69.405 68.868 -0.087 0.000 0.950 453 T HN 0.255 nan 8.240 nan 0.000 0.441 454 F N 3.185 123.034 119.950 -0.169 0.000 2.335 454 F HA 0.403 4.927 4.527 -0.006 0.000 0.365 454 F C 1.199 176.947 175.800 -0.087 0.000 1.122 454 F CA -0.909 57.041 58.000 -0.084 0.000 1.151 454 F CB 0.405 39.359 39.000 -0.077 0.000 1.282 454 F HN 0.210 nan 8.300 nan 0.000 0.513 455 R N 1.250 121.777 120.500 0.044 0.000 2.539 455 R HA 0.440 4.777 4.340 -0.006 0.000 0.275 455 R C 0.992 177.417 176.300 0.209 0.000 1.077 455 R CA 0.045 56.202 56.100 0.094 0.000 1.097 455 R CB 0.831 31.183 30.300 0.087 0.000 1.018 455 R HN 0.742 nan 8.270 nan 0.000 0.483 456 A N 2.321 125.244 122.820 0.171 0.000 2.132 456 A HA 0.023 4.340 4.320 -0.006 0.000 0.213 456 A C 0.276 177.975 177.584 0.192 0.000 1.154 456 A CA 0.434 52.572 52.037 0.169 0.000 0.753 456 A CB -0.032 19.042 19.000 0.123 0.000 0.826 456 A HN 0.566 nan 8.150 nan 0.000 0.469 457 N N 1.497 120.328 118.700 0.219 0.000 2.518 457 N HA 0.276 5.012 4.740 -0.006 0.000 0.283 457 N C -0.055 175.635 175.510 0.301 0.000 1.119 457 N CA -0.356 52.822 53.050 0.214 0.000 0.983 457 N CB 0.753 39.356 38.487 0.193 0.000 1.139 457 N HN 0.611 nan 8.380 nan 0.000 0.465 458 N N 0.526 119.335 118.700 0.183 0.000 2.374 458 N HA 0.068 4.804 4.740 -0.006 0.000 0.284 458 N C 0.987 176.575 175.510 0.130 0.000 1.280 458 N CA -0.432 52.660 53.050 0.069 0.000 0.963 458 N CB -0.157 38.337 38.487 0.012 0.000 1.141 458 N HN 0.513 nan 8.380 nan 0.000 0.565 459 F N -1.871 118.064 119.950 -0.025 0.000 2.250 459 F HA 0.120 4.643 4.527 -0.006 0.000 0.301 459 F C 1.189 177.024 175.800 0.057 0.000 1.077 459 F CA 0.524 58.563 58.000 0.065 0.000 1.348 459 F CB -0.803 38.180 39.000 -0.028 0.000 1.040 459 F HN 0.251 nan 8.300 nan 0.000 0.509 460 F N 1.174 120.820 119.950 -0.507 0.000 2.748 460 F HA 0.323 4.847 4.527 -0.006 0.000 0.299 460 F C 2.169 177.940 175.800 -0.048 0.000 1.154 460 F CA 0.764 58.597 58.000 -0.279 0.000 1.446 460 F CB -0.311 38.449 39.000 -0.400 0.000 1.112 460 F HN 0.293 nan 8.300 nan 0.000 0.584 461 G N -0.191 108.714 108.800 0.174 0.000 2.194 461 G HA2 -0.237 3.719 3.960 -0.006 0.000 0.236 461 G HA3 -0.237 3.719 3.960 -0.006 0.000 0.236 461 G C 0.012 174.982 174.900 0.118 0.000 0.987 461 G CA -0.036 45.156 45.100 0.153 0.000 0.635 461 G HN 0.127 nan 8.290 nan 0.000 0.520 462 V N 2.848 122.823 119.914 0.102 0.000 2.481 462 V HA 0.514 4.630 4.120 -0.006 0.000 0.286 462 V C -1.685 174.454 176.094 0.076 0.000 1.042 462 V CA -1.716 60.619 62.300 0.058 0.000 0.928 462 V CB 1.587 33.407 31.823 -0.005 0.000 0.986 462 V HN 0.137 nan 8.190 nan 0.000 0.462 463 P HA 0.100 nan 4.420 nan 0.000 0.267 463 P C -0.335 177.007 177.300 0.070 0.000 1.205 463 P CA 0.058 63.204 63.100 0.077 0.000 0.765 463 P CB 0.245 31.983 31.700 0.062 0.000 0.828 464 Q N 2.075 121.929 119.800 0.089 0.000 2.118 464 Q HA 0.638 4.974 4.340 -0.006 0.000 0.219 464 Q C -0.225 175.828 176.000 0.087 0.000 0.794 464 Q CA -0.609 55.243 55.803 0.080 0.000 1.035 464 Q CB 0.786 29.573 28.738 0.083 0.000 1.177 464 Q HN 0.372 nan 8.270 nan 0.000 0.478 465 A N 0.308 123.183 122.820 0.091 0.000 2.567 465 A HA 0.768 5.085 4.320 -0.006 0.000 0.291 465 A C -1.490 176.145 177.584 0.085 0.000 1.048 465 A CA -0.468 51.627 52.037 0.097 0.000 0.661 465 A CB 0.380 19.449 19.000 0.116 0.000 1.288 465 A HN 0.355 nan 8.150 nan 0.000 0.424 466 A N 0.035 122.902 122.820 0.079 0.000 2.304 466 A HA 0.661 4.977 4.320 -0.006 0.000 0.271 466 A C 1.452 179.081 177.584 0.075 0.000 1.091 466 A CA 0.469 52.545 52.037 0.065 0.000 0.812 466 A CB 0.083 19.111 19.000 0.047 0.000 1.056 466 A HN 2.389 nan 8.150 nan 0.000 0.489 467 A N 0.518 123.379 122.820 0.068 0.000 1.978 467 A HA -0.121 4.195 4.320 -0.006 0.000 0.220 467 A C 1.504 179.137 177.584 0.081 0.000 1.170 467 A CA 2.102 54.185 52.037 0.076 0.000 0.636 467 A CB -0.631 18.410 19.000 0.070 0.000 0.810 467 A HN 0.856 nan 8.150 nan 0.000 0.448 468 E N 0.579 120.823 120.200 0.073 0.000 2.409 468 E HA -0.097 4.250 4.350 -0.006 0.000 0.198 468 E C 1.332 177.987 176.600 0.092 0.000 1.024 468 E CA 1.002 57.449 56.400 0.078 0.000 0.861 468 E CB -0.230 29.505 29.700 0.059 0.000 0.788 468 E HN 0.763 nan 8.360 nan 0.000 0.521 469 E N 0.528 120.788 120.200 0.101 0.000 2.502 469 E HA 0.018 4.364 4.350 -0.006 0.000 0.194 469 E C -0.072 176.578 176.600 0.084 0.000 1.062 469 E CA 0.144 56.621 56.400 0.128 0.000 0.867 469 E CB 0.078 29.877 29.700 0.165 0.000 0.888 469 E HN 0.093 nan 8.360 nan 0.000 0.510 470 T N 2.302 116.898 114.554 0.069 0.000 2.934 470 T HA 0.057 4.403 4.350 -0.006 0.000 0.306 470 T C 0.302 174.976 174.700 -0.044 0.000 1.042 470 T CA 0.239 62.345 62.100 0.011 0.000 1.145 470 T CB 0.486 69.352 68.868 -0.003 0.000 0.982 470 T HN -0.037 nan 8.240 nan 0.000 0.544 471 R N 2.072 122.523 120.500 -0.081 0.000 2.711 471 R HA 0.439 4.776 4.340 -0.006 0.000 0.284 471 R C -0.492 175.726 176.300 -0.137 0.000 0.968 471 R CA -0.702 55.364 56.100 -0.057 0.000 0.924 471 R CB 1.328 31.556 30.300 -0.120 0.000 1.162 471 R HN 0.692 nan 8.270 nan 0.000 0.465 472 H N 1.222 120.378 119.070 0.143 0.000 2.538 472 H HA 0.286 4.839 4.556 -0.006 0.000 0.353 472 H C -0.674 174.721 175.328 0.111 0.000 1.109 472 H CA -0.502 55.615 56.048 0.116 0.000 1.192 472 H CB 2.948 32.746 29.762 0.060 0.000 1.555 472 H HN 0.402 nan 8.280 nan 0.000 0.518 473 Q N 1.428 121.349 119.800 0.202 0.000 2.356 473 Q HA 0.563 4.900 4.340 -0.006 0.000 0.270 473 Q C -0.293 175.752 176.000 0.075 0.000 1.058 473 Q CA -0.703 55.180 55.803 0.133 0.000 0.802 473 Q CB 2.054 30.881 28.738 0.148 0.000 1.303 473 Q HN 0.753 nan 8.270 nan 0.000 0.444 474 A N 3.539 126.393 122.820 0.058 0.000 1.898 474 A HA -0.082 4.235 4.320 -0.006 0.000 0.216 474 A C 0.713 178.316 177.584 0.032 0.000 1.181 474 A CA 1.096 53.153 52.037 0.033 0.000 0.620 474 A CB -0.140 18.878 19.000 0.029 0.000 0.819 474 A HN 0.781 nan 8.150 nan 0.000 0.442 475 E N -0.398 119.831 120.200 0.048 0.000 2.130 475 E HA 0.288 4.635 4.350 -0.006 0.000 0.284 475 E C -1.251 175.381 176.600 0.052 0.000 1.018 475 E CA -0.799 55.654 56.400 0.089 0.000 0.817 475 E CB 0.317 30.084 29.700 0.111 0.000 1.078 475 E HN 0.399 nan 8.360 nan 0.000 0.396 476 Y N 4.120 124.421 120.300 0.002 0.000 2.620 476 Y HA -0.024 4.522 4.550 -0.006 0.000 0.330 476 Y C -0.523 175.413 175.900 0.059 0.000 1.186 476 Y CA 0.629 58.706 58.100 -0.038 0.000 1.467 476 Y CB 0.509 38.974 38.460 0.008 0.000 1.262 476 Y HN 0.487 nan 8.280 nan 0.000 0.550 477 Q N 4.864 124.159 119.800 -0.842 0.000 2.321 477 Q HA 0.180 4.517 4.340 -0.006 0.000 0.270 477 Q C -1.061 174.551 176.000 -0.647 0.000 1.032 477 Q CA -1.018 54.517 55.803 -0.447 0.000 0.784 477 Q CB 1.389 29.998 28.738 -0.215 0.000 1.264 477 Q HN 0.595 nan 8.270 nan 0.000 0.448 478 N N 3.639 122.243 118.700 -0.161 0.000 2.968 478 N HA 0.070 4.806 4.740 -0.006 0.000 0.271 478 N C -1.158 174.508 175.510 0.261 0.000 1.174 478 N CA 0.029 53.188 53.050 0.181 0.000 1.096 478 N CB 0.081 38.837 38.487 0.448 0.000 1.403 478 N HN 0.592 nan 8.380 nan 0.000 0.522 479 R N -0.602 120.034 120.500 0.226 0.000 2.846 479 R HA 0.710 5.046 4.340 -0.006 0.000 0.263 479 R C -0.010 176.376 176.300 0.144 0.000 1.080 479 R CA -1.133 55.048 56.100 0.135 0.000 0.961 479 R CB -0.019 30.320 30.300 0.065 0.000 1.231 479 R HN 0.086 nan 8.270 nan 0.000 0.465 480 G N -0.249 108.547 108.800 -0.006 0.000 2.483 480 G HA2 0.188 4.144 3.960 -0.006 0.000 0.248 480 G HA3 0.188 4.144 3.960 -0.006 0.000 0.248 480 G C 0.399 175.328 174.900 0.049 0.000 1.248 480 G CA -0.357 44.691 45.100 -0.087 0.000 0.838 480 G HN 0.589 nan 8.290 nan 0.000 0.566 481 T N 0.738 115.183 114.554 -0.181 0.000 2.803 481 T HA -0.071 4.275 4.350 -0.006 0.000 0.269 481 T C 0.822 175.546 174.700 0.040 0.000 1.052 481 T CA 2.074 64.036 62.100 -0.230 0.000 1.136 481 T CB -0.168 68.532 68.868 -0.280 0.000 0.864 481 T HN 0.831 nan 8.240 nan 0.000 0.467 482 E N 0.257 120.474 120.200 0.027 0.000 2.393 482 E HA 0.603 4.950 4.350 -0.006 0.000 0.273 482 E C -1.468 175.133 176.600 0.002 0.000 0.918 482 E CA -1.070 55.374 56.400 0.074 0.000 0.773 482 E CB 0.877 30.576 29.700 -0.002 0.000 1.275 482 E HN 0.008 nan 8.360 nan 0.000 0.451 483 N N 0.386 119.124 118.700 0.064 0.000 2.272 483 N HA 0.473 5.210 4.740 -0.006 0.000 0.305 483 N C -1.808 173.761 175.510 0.099 0.000 1.103 483 N CA -0.750 52.271 53.050 -0.048 0.000 0.791 483 N CB 1.463 39.830 38.487 -0.200 0.000 1.356 483 N HN 0.653 nan 8.380 nan 0.000 0.486 484 D N 0.696 121.108 120.400 0.019 0.000 2.857 484 D HA 0.333 4.970 4.640 -0.006 0.000 0.227 484 D C -1.193 175.181 176.300 0.123 0.000 1.192 484 D CA -0.534 53.537 54.000 0.119 0.000 0.857 484 D CB 1.949 42.761 40.800 0.021 0.000 1.645 484 D HN 0.365 nan 8.370 nan 0.000 0.482 485 M N 1.871 121.592 119.600 0.201 0.000 2.395 485 M HA 0.533 5.010 4.480 -0.006 0.000 0.307 485 M C -2.116 174.221 176.300 0.063 0.000 1.091 485 M CA -0.656 54.736 55.300 0.155 0.000 0.919 485 M CB 1.856 34.630 32.600 0.289 0.000 1.662 485 M HN 0.434 nan 8.290 nan 0.000 0.440 486 I N 4.633 125.156 120.570 -0.079 0.000 2.465 486 I HA 0.525 4.692 4.170 -0.006 0.000 0.291 486 I C -1.036 174.909 176.117 -0.287 0.000 1.014 486 I CA -0.669 60.449 61.300 -0.303 0.000 1.093 486 I CB 2.140 39.841 38.000 -0.498 0.000 1.267 486 I HN 0.361 nan 8.210 nan 0.000 0.431 487 V N 6.203 125.913 119.914 -0.339 0.000 2.378 487 V HA 0.434 4.551 4.120 -0.006 0.000 0.288 487 V C -0.637 175.245 176.094 -0.353 0.000 1.016 487 V CA -0.536 61.647 62.300 -0.196 0.000 0.840 487 V CB 1.153 32.996 31.823 0.033 0.000 0.994 487 V HN 0.361 nan 8.190 nan 0.000 0.431 488 F N 2.128 122.035 119.950 -0.071 0.000 2.399 488 F HA 0.428 4.952 4.527 -0.006 0.000 0.334 488 F C 1.280 177.060 175.800 -0.032 0.000 1.097 488 F CA -0.426 57.530 58.000 -0.073 0.000 1.076 488 F CB 1.733 40.690 39.000 -0.072 0.000 1.162 488 F HN 0.603 nan 8.300 nan 0.000 0.495 489 S N 2.256 118.077 115.700 0.201 0.000 3.405 489 S HA -0.136 4.331 4.470 -0.006 0.000 0.373 489 S C -2.584 172.058 174.600 0.070 0.000 0.939 489 S CA -0.581 57.686 58.200 0.112 0.000 1.295 489 S CB -1.927 61.334 63.200 0.102 0.000 0.919 489 S HN 0.317 nan 8.310 nan 0.000 0.535 490 P HA 0.136 nan 4.420 nan 0.000 0.267 490 P C 1.343 178.666 177.300 0.039 0.000 1.205 490 P CA -0.054 63.071 63.100 0.042 0.000 0.765 490 P CB 0.569 32.291 31.700 0.037 0.000 0.828 491 T N -1.519 113.056 114.554 0.035 0.000 2.995 491 T HA -0.101 4.246 4.350 -0.006 0.000 0.269 491 T C 1.242 175.959 174.700 0.028 0.000 1.091 491 T CA 1.478 63.595 62.100 0.029 0.000 1.128 491 T CB -1.181 67.702 68.868 0.024 0.000 0.891 491 T HN 0.468 nan 8.240 nan 0.000 0.492 492 T N -0.693 113.880 114.554 0.032 0.000 3.219 492 T HA 0.397 4.744 4.350 -0.006 0.000 0.249 492 T C 0.474 175.196 174.700 0.037 0.000 1.099 492 T CA -0.042 62.077 62.100 0.033 0.000 0.988 492 T CB -0.319 68.571 68.868 0.036 0.000 0.999 492 T HN 0.463 nan 8.240 nan 0.000 0.550 493 S N 0.411 116.131 115.700 0.034 0.000 2.615 493 S HA 0.350 4.816 4.470 -0.006 0.000 0.269 493 S C -0.499 174.117 174.600 0.027 0.000 1.161 493 S CA -0.299 57.920 58.200 0.032 0.000 0.817 493 S CB 1.473 64.692 63.200 0.031 0.000 1.131 493 S HN 0.301 nan 8.310 nan 0.000 0.467 494 D N 0.524 120.939 120.400 0.025 0.000 2.367 494 D HA 0.072 4.709 4.640 -0.006 0.000 0.207 494 D C 0.082 176.397 176.300 0.026 0.000 1.034 494 D CA -0.258 53.757 54.000 0.024 0.000 0.861 494 D CB 0.038 40.851 40.800 0.021 0.000 0.943 494 D HN 0.341 nan 8.370 nan 0.000 0.515 495 R N 1.670 122.184 120.500 0.022 0.000 2.543 495 R HA 0.152 4.489 4.340 -0.006 0.000 0.277 495 R C -1.509 174.804 176.300 0.022 0.000 1.074 495 R CA -1.101 55.012 56.100 0.021 0.000 1.076 495 R CB 0.498 30.802 30.300 0.007 0.000 0.993 495 R HN 0.035 nan 8.270 nan 0.000 0.459 496 P HA -0.048 nan 4.420 nan 0.000 0.223 496 P C 0.073 177.411 177.300 0.062 0.000 1.151 496 P CA 0.906 64.051 63.100 0.075 0.000 0.787 496 P CB 0.349 32.114 31.700 0.110 0.000 0.788 497 V N -0.845 119.043 119.914 -0.043 0.000 2.925 497 V HA 0.446 4.562 4.120 -0.006 0.000 0.311 497 V C -0.414 175.484 176.094 -0.326 0.000 1.104 497 V CA -0.877 61.259 62.300 -0.273 0.000 0.954 497 V CB 2.619 34.173 31.823 -0.448 0.000 1.022 497 V HN -0.199 nan 8.190 nan 0.000 0.427 498 L N 2.401 123.343 121.223 -0.469 0.000 2.388 498 L HA 1.002 5.339 4.340 -0.006 0.000 0.264 498 L C -0.195 176.186 176.870 -0.815 0.000 0.998 498 L CA -0.663 53.801 54.840 -0.626 0.000 0.817 498 L CB 2.244 43.960 42.059 -0.571 0.000 1.338 498 L HN 0.919 nan 8.230 nan 0.000 0.414 499 A N 1.914 124.125 122.820 -1.016 0.000 2.572 499 A HA 0.876 5.192 4.320 -0.006 0.000 0.295 499 A C -2.020 175.075 177.584 -0.815 0.000 1.072 499 A CA -0.502 51.135 52.037 -0.667 0.000 0.691 499 A CB 1.737 20.494 19.000 -0.404 0.000 1.291 499 A HN 0.687 nan 8.150 nan 0.000 0.404 500 W N 0.375 121.498 121.300 -0.295 0.000 3.062 500 W HA 0.545 5.202 4.660 -0.005 0.000 0.336 500 W C -1.090 175.303 176.519 -0.210 0.000 1.224 500 W CA -0.164 56.986 57.345 -0.325 0.000 1.159 500 W CB 2.263 31.459 29.460 -0.440 0.000 1.454 500 W HN 1.038 nan 8.180 nan 0.000 0.569 501 D N -1.086 119.346 120.400 0.052 0.000 2.838 501 D HA 0.537 5.174 4.640 -0.006 0.000 0.334 501 D C -1.850 174.509 176.300 0.099 0.000 1.315 501 D CA -0.584 53.470 54.000 0.091 0.000 0.917 501 D CB 1.856 42.674 40.800 0.030 0.000 1.435 501 D HN 0.160 nan 8.370 nan 0.000 0.517 502 V N -0.497 119.497 119.914 0.133 0.000 2.789 502 V HA 0.539 4.656 4.120 -0.006 0.000 0.300 502 V C -1.891 174.277 176.094 0.124 0.000 1.184 502 V CA -0.446 61.943 62.300 0.149 0.000 0.930 502 V CB 1.710 33.690 31.823 0.262 0.000 1.041 502 V HN 0.614 nan 8.190 nan 0.000 0.430 503 V N 7.048 126.994 119.914 0.054 0.000 2.380 503 V HA 0.810 4.926 4.120 -0.006 0.000 0.272 503 V C 0.417 176.493 176.094 -0.031 0.000 1.011 503 V CA 0.193 62.499 62.300 0.009 0.000 0.826 503 V CB 1.216 33.018 31.823 -0.036 0.000 1.040 503 V HN 1.175 nan 8.190 nan 0.000 0.441 504 A N 5.865 128.647 122.820 -0.062 0.000 2.312 504 A HA 0.888 5.205 4.320 -0.006 0.000 0.328 504 A C -1.832 175.615 177.584 -0.227 0.000 1.158 504 A CA -1.661 50.266 52.037 -0.183 0.000 0.821 504 A CB 1.414 20.253 19.000 -0.269 0.000 1.170 504 A HN 0.538 nan 8.150 nan 0.000 0.490 505 P HA 0.145 nan 4.420 nan 0.000 0.221 505 P C 0.709 177.867 177.300 -0.238 0.000 1.150 505 P CA 1.582 64.432 63.100 -0.417 0.000 0.800 505 P CB 0.288 31.679 31.700 -0.515 0.000 0.787 506 G N -1.658 107.036 108.800 -0.176 0.000 2.430 506 G HA2 0.182 4.138 3.960 -0.006 0.000 0.300 506 G HA3 0.182 4.138 3.960 -0.006 0.000 0.300 506 G C -0.288 174.576 174.900 -0.059 0.000 1.330 506 G CA -0.143 44.907 45.100 -0.083 0.000 0.813 506 G HN -0.128 nan 8.290 nan 0.000 0.487 507 Q N 0.005 119.781 119.800 -0.040 0.000 2.119 507 Q HA 0.127 4.464 4.340 -0.006 0.000 0.201 507 Q C 1.419 177.428 176.000 0.016 0.000 0.972 507 Q CA 2.064 57.813 55.803 -0.091 0.000 0.847 507 Q CB -0.156 28.488 28.738 -0.158 0.000 0.903 507 Q HN 0.662 nan 8.270 nan 0.000 0.433 508 S N -1.871 113.895 115.700 0.110 0.000 2.608 508 S HA 0.627 5.093 4.470 -0.006 0.000 0.291 508 S C 0.482 175.214 174.600 0.220 0.000 1.146 508 S CA -0.355 57.965 58.200 0.199 0.000 1.043 508 S CB 1.450 64.815 63.200 0.275 0.000 1.037 508 S HN 0.390 nan 8.310 nan 0.000 0.520 509 G N 2.257 111.216 108.800 0.265 0.000 3.453 509 G HA2 0.218 4.175 3.960 -0.006 0.000 0.263 509 G HA3 0.218 4.175 3.960 -0.006 0.000 0.263 509 G C -0.250 174.889 174.900 0.399 0.000 1.060 509 G CA -0.308 44.975 45.100 0.306 0.000 0.793 509 G HN 0.586 nan 8.290 nan 0.000 0.532 510 F N 1.649 121.727 119.950 0.214 0.000 2.412 510 F HA 0.649 5.173 4.527 -0.004 0.000 0.348 510 F C -0.305 175.507 175.800 0.021 0.000 1.102 510 F CA -1.691 56.373 58.000 0.107 0.000 1.196 510 F CB 0.725 39.772 39.000 0.079 0.000 1.144 510 F HN -0.156 nan 8.300 nan 0.000 0.541 511 I N 6.106 126.176 120.570 -0.834 0.000 2.447 511 I HA 0.426 4.592 4.170 -0.006 0.000 0.287 511 I C -0.014 175.400 176.117 -1.173 0.000 1.023 511 I CA -0.929 59.867 61.300 -0.842 0.000 1.083 511 I CB 1.496 39.218 38.000 -0.463 0.000 1.245 511 I HN 0.810 nan 8.210 nan 0.000 0.434 512 A N 7.974 130.180 122.820 -1.022 0.000 2.409 512 A HA 0.361 4.678 4.320 -0.006 0.000 0.246 512 A C -1.628 175.799 177.584 -0.262 0.000 1.099 512 A CA -0.733 50.988 52.037 -0.527 0.000 0.789 512 A CB -0.382 18.514 19.000 -0.173 0.000 1.053 512 A HN 0.594 nan 8.150 nan 0.000 0.503 513 P HA -0.095 nan 4.420 nan 0.000 0.220 513 P C 0.427 177.690 177.300 -0.061 0.000 1.148 513 P CA 1.437 64.504 63.100 -0.055 0.000 0.803 513 P CB -0.080 31.620 31.700 0.000 0.000 0.782 514 D N -1.426 118.937 120.400 -0.062 0.000 2.349 514 D HA 0.067 4.704 4.640 -0.006 0.000 0.224 514 D C 1.416 177.666 176.300 -0.084 0.000 1.029 514 D CA 0.630 54.596 54.000 -0.058 0.000 0.879 514 D CB -0.891 39.885 40.800 -0.039 0.000 0.906 514 D HN 0.249 nan 8.370 nan 0.000 0.528 515 G N -0.463 108.260 108.800 -0.129 0.000 2.175 515 G HA2 -0.254 3.702 3.960 -0.006 0.000 0.244 515 G HA3 -0.254 3.702 3.960 -0.006 0.000 0.244 515 G C 0.357 175.146 174.900 -0.186 0.000 0.982 515 G CA 0.197 45.206 45.100 -0.152 0.000 0.641 515 G HN 0.433 nan 8.290 nan 0.000 0.527 516 T N 1.400 115.848 114.554 -0.177 0.000 2.817 516 T HA 0.439 4.786 4.350 -0.006 0.000 0.295 516 T C 0.589 175.130 174.700 -0.265 0.000 0.958 516 T CA 0.063 62.061 62.100 -0.171 0.000 1.157 516 T CB 2.169 70.974 68.868 -0.105 0.000 0.898 516 T HN 0.348 nan 8.240 nan 0.000 0.536 517 V N 3.690 123.438 119.914 -0.276 0.000 2.567 517 V HA 0.154 4.271 4.120 -0.006 0.000 0.289 517 V C 0.679 176.662 176.094 -0.186 0.000 1.049 517 V CA -0.677 61.388 62.300 -0.392 0.000 0.969 517 V CB 1.692 33.195 31.823 -0.533 0.000 0.995 517 V HN 0.921 nan 8.190 nan 0.000 0.471 518 D N 2.679 123.026 120.400 -0.087 0.000 2.419 518 D HA -0.031 4.605 4.640 -0.006 0.000 0.236 518 D C 1.321 177.650 176.300 0.048 0.000 1.165 518 D CA 0.421 54.483 54.000 0.104 0.000 0.882 518 D CB 0.619 41.582 40.800 0.271 0.000 1.201 518 D HN 0.638 nan 8.370 nan 0.000 0.443 519 K N 1.470 121.853 120.400 -0.029 0.000 2.280 519 K HA -0.180 4.136 4.320 -0.006 0.000 0.202 519 K C 0.358 176.809 176.600 -0.248 0.000 1.047 519 K CA 1.262 57.438 56.287 -0.184 0.000 0.942 519 K CB -0.082 32.219 32.500 -0.330 0.000 0.739 519 K HN 0.588 nan 8.250 nan 0.000 0.457 520 H N -1.028 118.116 119.070 0.123 0.000 2.503 520 H HA 0.072 4.625 4.556 -0.006 0.000 0.296 520 H C 0.042 175.444 175.328 0.123 0.000 1.097 520 H CA -0.424 55.682 56.048 0.096 0.000 1.055 520 H CB 0.332 30.133 29.762 0.066 0.000 1.580 520 H HN 0.238 nan 8.280 nan 0.000 0.546 521 Y N 1.960 122.306 120.300 0.076 0.000 2.337 521 Y HA -0.066 4.481 4.550 -0.006 0.000 0.293 521 Y C 1.118 177.020 175.900 0.003 0.000 1.123 521 Y CA 1.270 59.395 58.100 0.042 0.000 1.201 521 Y CB 0.761 39.230 38.460 0.015 0.000 1.011 521 Y HN 0.379 nan 8.280 nan 0.000 0.545 522 E N -1.280 118.953 120.200 0.054 0.000 3.083 522 E HA 0.057 4.404 4.350 -0.006 0.000 0.168 522 E C -0.099 176.492 176.600 -0.014 0.000 0.934 522 E CA 0.372 56.730 56.400 -0.071 0.000 1.361 522 E CB -0.536 29.149 29.700 -0.025 0.000 1.032 522 E HN 0.414 nan 8.360 nan 0.000 0.447 523 D N 0.889 121.311 120.400 0.036 0.000 2.363 523 D HA -0.115 4.522 4.640 -0.006 0.000 0.226 523 D C 1.196 177.516 176.300 0.033 0.000 1.020 523 D CA 0.286 54.318 54.000 0.053 0.000 0.892 523 D CB 0.191 41.057 40.800 0.111 0.000 0.900 523 D HN 0.357 nan 8.370 nan 0.000 0.531 524 Q N -0.722 119.075 119.800 -0.005 0.000 2.217 524 Q HA 0.179 4.515 4.340 -0.006 0.000 0.217 524 Q C 1.493 177.491 176.000 -0.003 0.000 0.844 524 Q CA -0.385 55.422 55.803 0.007 0.000 0.957 524 Q CB 0.477 29.218 28.738 0.006 0.000 1.127 524 Q HN 0.085 nan 8.270 nan 0.000 0.503 525 L N 1.431 122.613 121.223 -0.068 0.000 2.012 525 L HA -0.206 4.131 4.340 -0.006 0.000 0.210 525 L C 1.882 178.756 176.870 0.006 0.000 1.073 525 L CA 1.895 56.670 54.840 -0.108 0.000 0.748 525 L CB -0.068 41.869 42.059 -0.204 0.000 0.891 525 L HN -0.019 nan 8.230 nan 0.000 0.431 526 K N -1.077 119.333 120.400 0.016 0.000 2.228 526 K HA -0.104 4.213 4.320 -0.006 0.000 0.202 526 K C 2.027 178.651 176.600 0.041 0.000 1.051 526 K CA 1.379 57.684 56.287 0.031 0.000 0.960 526 K CB -0.404 32.111 32.500 0.024 0.000 0.743 526 K HN 0.445 nan 8.250 nan 0.000 0.458 527 M N -0.210 119.424 119.600 0.056 0.000 2.117 527 M HA -0.219 4.257 4.480 -0.006 0.000 0.262 527 M C 2.108 178.456 176.300 0.081 0.000 1.065 527 M CA 1.555 56.895 55.300 0.066 0.000 1.114 527 M CB -0.242 32.401 32.600 0.072 0.000 1.361 527 M HN 0.033 nan 8.290 nan 0.000 0.408 528 Y N 1.349 121.642 120.300 -0.011 0.000 2.070 528 Y HA -0.322 4.224 4.550 -0.006 0.000 0.280 528 Y C 2.402 178.201 175.900 -0.169 0.000 1.148 528 Y CA 2.608 60.696 58.100 -0.021 0.000 1.125 528 Y CB -0.726 37.772 38.460 0.063 0.000 0.975 528 Y HN 0.468 nan 8.280 nan 0.000 0.492 529 E N 0.203 120.368 120.200 -0.059 0.000 2.114 529 E HA -0.305 4.042 4.350 -0.006 0.000 0.199 529 E C 0.931 177.311 176.600 -0.368 0.000 1.008 529 E CA 1.970 58.242 56.400 -0.214 0.000 0.810 529 E CB -0.478 29.207 29.700 -0.025 0.000 0.739 529 E HN 0.801 nan 8.360 nan 0.000 0.456 530 N N -0.674 117.913 118.700 -0.188 0.000 2.370 530 N HA 0.088 4.825 4.740 -0.006 0.000 0.198 530 N C -0.589 174.957 175.510 0.059 0.000 1.156 530 N CA 0.244 53.265 53.050 -0.049 0.000 0.839 530 N CB 0.134 38.653 38.487 0.053 0.000 0.989 530 N HN 0.108 nan 8.380 nan 0.000 0.468 531 F N -1.162 118.781 119.950 -0.012 0.000 2.988 531 F HA -0.212 4.311 4.527 -0.006 0.000 0.287 531 F C 1.254 177.203 175.800 0.249 0.000 0.781 531 F CA 0.336 58.382 58.000 0.077 0.000 1.221 531 F CB -1.943 37.091 39.000 0.056 0.000 1.392 531 F HN 0.183 nan 8.300 nan 0.000 0.425 532 G N 0.180 109.102 108.800 0.203 0.000 2.557 532 G HA2 0.751 4.708 3.960 -0.006 0.000 0.292 532 G HA3 0.751 4.708 3.960 -0.006 0.000 0.292 532 G C -0.113 174.834 174.900 0.078 0.000 1.237 532 G CA -0.308 44.854 45.100 0.102 0.000 0.978 532 G HN 0.451 nan 8.290 nan 0.000 0.498 533 R N -1.426 119.006 120.500 -0.114 0.000 2.716 533 R HA 0.594 4.931 4.340 -0.006 0.000 0.271 533 R C -1.157 175.105 176.300 -0.063 0.000 1.028 533 R CA -1.142 54.875 56.100 -0.139 0.000 0.883 533 R CB 1.538 31.491 30.300 -0.579 0.000 1.250 533 R HN 0.655 nan 8.270 nan 0.000 0.465 534 K N 0.697 121.095 120.400 -0.002 0.000 2.328 534 K HA 0.484 4.801 4.320 -0.006 0.000 0.246 534 K C -0.895 175.625 176.600 -0.133 0.000 0.955 534 K CA -0.810 55.456 56.287 -0.036 0.000 0.817 534 K CB 2.300 34.756 32.500 -0.073 0.000 1.208 534 K HN 0.458 nan 8.250 nan 0.000 0.432 535 S N 1.737 117.190 115.700 -0.411 0.000 2.576 535 S HA 0.240 4.706 4.470 -0.006 0.000 0.276 535 S C -0.217 173.682 174.600 -1.169 0.000 1.339 535 S CA -0.621 56.963 58.200 -1.026 0.000 1.039 535 S CB 0.133 62.430 63.200 -1.505 0.000 0.902 535 S HN 0.407 nan 8.310 nan 0.000 0.516 536 L N 2.957 123.547 121.223 -1.054 0.000 2.287 536 L HA 0.460 4.797 4.340 -0.006 0.000 0.287 536 L C -0.887 175.578 176.870 -0.674 0.000 1.022 536 L CA -0.452 53.962 54.840 -0.710 0.000 0.814 536 L CB 0.921 42.766 42.059 -0.356 0.000 1.217 536 L HN 0.700 nan 8.230 nan 0.000 0.420 537 W N 3.976 125.183 121.300 -0.154 0.000 2.438 537 W HA 0.403 5.060 4.660 -0.006 0.000 0.324 537 W C 0.442 176.936 176.519 -0.042 0.000 1.119 537 W CA -0.664 56.611 57.345 -0.117 0.000 1.221 537 W CB 1.444 30.838 29.460 -0.109 0.000 1.253 537 W HN 0.369 nan 8.180 nan 0.000 0.555 538 L N 1.723 123.092 121.223 0.244 0.000 2.777 538 L HA 0.237 4.574 4.340 -0.006 0.000 0.172 538 L C 1.432 178.375 176.870 0.122 0.000 1.179 538 L CA 0.969 55.918 54.840 0.183 0.000 0.859 538 L CB -0.674 41.467 42.059 0.136 0.000 1.269 538 L HN 0.374 nan 8.230 nan 0.000 0.511 539 T N -1.819 112.789 114.554 0.089 0.000 2.900 539 T HA 0.068 4.415 4.350 -0.006 0.000 0.307 539 T C 1.065 175.727 174.700 -0.063 0.000 1.065 539 T CA -0.075 62.033 62.100 0.012 0.000 1.105 539 T CB 0.659 69.543 68.868 0.027 0.000 0.979 539 T HN 0.290 nan 8.240 nan 0.000 0.544 540 K N 0.843 121.181 120.400 -0.102 0.000 2.063 540 K HA -0.208 4.109 4.320 -0.006 0.000 0.208 540 K C 2.451 178.986 176.600 -0.108 0.000 1.048 540 K CA 1.861 58.071 56.287 -0.129 0.000 0.928 540 K CB -0.199 32.242 32.500 -0.098 0.000 0.713 540 K HN 0.808 nan 8.250 nan 0.000 0.442 541 Q N 0.912 120.660 119.800 -0.087 0.000 2.084 541 Q HA -0.207 4.129 4.340 -0.006 0.000 0.202 541 Q C 1.371 177.279 176.000 -0.153 0.000 0.978 541 Q CA 1.738 57.480 55.803 -0.102 0.000 0.844 541 Q CB 0.091 28.783 28.738 -0.076 0.000 0.898 541 Q HN 0.230 nan 8.270 nan 0.000 0.426 542 D N -0.336 119.971 120.400 -0.156 0.000 2.117 542 D HA -0.130 4.507 4.640 -0.006 0.000 0.197 542 D C 2.019 178.107 176.300 -0.353 0.000 0.987 542 D CA 1.138 54.958 54.000 -0.300 0.000 0.829 542 D CB -0.107 40.554 40.800 -0.231 0.000 0.961 542 D HN 0.139 nan 8.370 nan 0.000 0.460 543 V N 1.706 121.503 119.914 -0.196 0.000 2.255 543 V HA -0.207 3.909 4.120 -0.006 0.000 0.247 543 V C 2.439 178.449 176.094 -0.141 0.000 1.051 543 V CA 1.563 63.782 62.300 -0.135 0.000 1.018 543 V CB -0.367 31.411 31.823 -0.075 0.000 0.641 543 V HN 0.133 nan 8.190 nan 0.000 0.445 544 E N 0.277 120.392 120.200 -0.142 0.000 2.118 544 E HA -0.195 4.152 4.350 -0.006 0.000 0.195 544 E C 2.338 178.826 176.600 -0.186 0.000 0.992 544 E CA 1.536 57.858 56.400 -0.130 0.000 0.804 544 E CB -0.521 29.110 29.700 -0.114 0.000 0.741 544 E HN 0.583 nan 8.360 nan 0.000 0.458 545 A N 0.413 123.069 122.820 -0.274 0.000 2.019 545 A HA -0.165 4.151 4.320 -0.006 0.000 0.219 545 A C 1.228 178.404 177.584 -0.681 0.000 1.164 545 A CA 1.425 53.193 52.037 -0.447 0.000 0.644 545 A CB -0.507 18.193 19.000 -0.500 0.000 0.805 545 A HN 0.248 nan 8.150 nan 0.000 0.449 546 H N -1.381 117.489 119.070 -0.333 0.000 2.592 546 H HA 0.233 4.785 4.556 -0.006 0.000 0.279 546 H C 0.422 175.693 175.328 -0.095 0.000 1.089 546 H CA -0.057 55.855 56.048 -0.227 0.000 1.150 546 H CB 0.211 29.757 29.762 -0.360 0.000 1.575 546 H HN 0.445 nan 8.280 nan 0.000 0.547 547 K N 1.474 121.848 120.400 -0.043 0.000 2.448 547 K HA -0.064 4.252 4.320 -0.006 0.000 0.278 547 K C 0.943 177.555 176.600 0.019 0.000 1.009 547 K CA 0.212 56.499 56.287 -0.001 0.000 0.995 547 K CB 0.861 33.344 32.500 -0.028 0.000 0.917 547 K HN 0.379 nan 8.250 nan 0.000 0.481 548 E N 1.889 122.118 120.200 0.048 0.000 2.290 548 E HA -0.003 4.343 4.350 -0.006 0.000 0.197 548 E C -0.601 176.030 176.600 0.053 0.000 0.948 548 E CA 0.229 56.668 56.400 0.065 0.000 0.895 548 E CB 0.447 30.215 29.700 0.114 0.000 0.865 548 E HN 0.720 nan 8.360 nan 0.000 0.486 549 S N -0.962 114.765 115.700 0.044 0.000 2.611 549 S HA 0.385 4.852 4.470 -0.006 0.000 0.268 549 S C -1.232 173.383 174.600 0.024 0.000 1.156 549 S CA -0.984 57.237 58.200 0.035 0.000 0.817 549 S CB 1.965 65.193 63.200 0.047 0.000 1.122 549 S HN 0.097 nan 8.310 nan 0.000 0.466 550 Q N -0.002 119.809 119.800 0.018 0.000 2.309 550 Q HA 0.546 4.883 4.340 -0.006 0.000 0.273 550 Q C -2.073 173.932 176.000 0.009 0.000 1.040 550 Q CA -0.295 55.514 55.803 0.011 0.000 0.834 550 Q CB 2.157 30.898 28.738 0.005 0.000 1.345 550 Q HN 0.816 nan 8.270 nan 0.000 0.414 551 E N 2.541 122.743 120.200 0.003 0.000 2.275 551 E HA 0.516 4.863 4.350 -0.006 0.000 0.270 551 E C -1.753 174.833 176.600 -0.022 0.000 0.882 551 E CA -0.634 55.764 56.400 -0.004 0.000 0.758 551 E CB 2.147 31.845 29.700 -0.003 0.000 1.195 551 E HN 0.397 nan 8.360 nan 0.000 0.419 552 V N 5.287 125.182 119.914 -0.031 0.000 2.540 552 V HA 0.481 4.598 4.120 -0.006 0.000 0.302 552 V C -0.287 175.717 176.094 -0.150 0.000 1.035 552 V CA -0.675 61.570 62.300 -0.093 0.000 0.873 552 V CB 1.539 33.321 31.823 -0.069 0.000 0.992 552 V HN 0.608 nan 8.190 nan 0.000 0.428 553 L N 3.968 125.040 121.223 -0.251 0.000 2.342 553 L HA 0.635 4.972 4.340 -0.006 0.000 0.271 553 L C -0.934 175.644 176.870 -0.488 0.000 1.008 553 L CA -0.701 54.005 54.840 -0.224 0.000 0.818 553 L CB 1.892 43.885 42.059 -0.110 0.000 1.296 553 L HN 0.643 nan 8.230 nan 0.000 0.427 554 H N 1.125 120.199 119.070 0.007 0.000 2.708 554 H HA 0.635 5.192 4.556 0.002 0.000 0.320 554 H C -1.112 174.220 175.328 0.007 0.000 0.991 554 H CA -0.436 55.617 56.048 0.008 0.000 1.243 554 H CB 1.748 31.514 29.762 0.006 0.000 1.446 554 H HN 0.180 nan 8.280 nan 0.000 0.502 555 V N 3.030 122.989 119.914 0.074 0.000 2.841 555 V HA 0.285 4.402 4.120 -0.006 0.000 0.310 555 V C -0.747 175.373 176.094 0.044 0.000 1.090 555 V CA -0.897 61.431 62.300 0.047 0.000 0.930 555 V CB 2.214 34.047 31.823 0.016 0.000 1.014 555 V HN 0.588 nan 8.190 nan 0.000 0.425 556 Q N 2.929 122.750 119.800 0.036 0.000 2.333 556 Q HA 0.508 4.845 4.340 -0.006 0.000 0.267 556 Q C -0.364 175.648 176.000 0.019 0.000 1.012 556 Q CA -0.451 55.369 55.803 0.029 0.000 0.824 556 Q CB 2.092 30.846 28.738 0.027 0.000 1.290 556 Q HN 0.798 nan 8.270 nan 0.000 0.449 557 R N 0.000 120.510 120.500 0.017 0.000 2.786 557 R HA 0.000 4.337 4.340 -0.006 0.000 0.208 557 R CA 0.000 56.108 56.100 0.012 0.000 0.921 557 R CB 0.000 30.308 30.300 0.013 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535