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 1ajn_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 0.000 174.682 174.600 0.137 0.000 1.055 1 S CA 0.000 58.274 58.200 0.124 0.000 1.107 1 S CB 0.000 63.240 63.200 0.066 0.000 0.593 2 N N 0.844 119.431 118.700 -0.188 0.000 2.453 2 N HA 0.877 5.614 4.740 -0.006 0.000 0.290 2 N C -1.106 174.226 175.510 -0.296 0.000 1.250 2 N CA -0.977 51.902 53.050 -0.286 0.000 0.815 2 N CB 1.755 39.730 38.487 -0.854 0.000 1.381 2 N HN 0.488 nan 8.380 nan 0.000 0.510 3 M N 0.565 120.027 119.600 -0.230 0.000 2.365 3 M HA 0.433 4.910 4.480 -0.006 0.000 0.288 3 M C -2.494 173.744 176.300 -0.104 0.000 1.152 3 M CA -0.378 54.672 55.300 -0.418 0.000 0.948 3 M CB 1.522 33.703 32.600 -0.699 0.000 1.729 3 M HN 0.801 nan 8.290 nan 0.000 0.487 4 W N 3.914 125.085 121.300 -0.215 0.000 2.839 4 W HA 0.832 5.489 4.660 -0.005 0.000 0.334 4 W C -2.012 174.475 176.519 -0.054 0.000 1.064 4 W CA -1.266 56.010 57.345 -0.115 0.000 1.236 4 W CB 0.739 30.123 29.460 -0.127 0.000 1.405 4 W HN 0.501 nan 8.180 nan 0.000 0.478 5 V N 4.657 124.692 119.914 0.201 0.000 2.487 5 V HA 0.478 4.595 4.120 -0.006 0.000 0.298 5 V C -0.383 175.841 176.094 0.216 0.000 1.028 5 V CA -1.057 61.340 62.300 0.162 0.000 0.860 5 V CB 1.469 33.408 31.823 0.193 0.000 0.991 5 V HN 0.610 nan 8.190 nan 0.000 0.427 6 I N 3.815 124.490 120.570 0.175 0.000 2.362 6 I HA 0.635 4.802 4.170 -0.006 0.000 0.289 6 I C 0.967 177.154 176.117 0.116 0.000 0.994 6 I CA 0.088 61.485 61.300 0.161 0.000 1.158 6 I CB 1.717 39.795 38.000 0.131 0.000 1.315 6 I HN 0.754 nan 8.210 nan 0.000 0.451 7 G N 4.079 112.938 108.800 0.099 0.000 2.543 7 G HA2 0.233 4.189 3.960 -0.006 0.000 0.290 7 G HA3 0.233 4.189 3.960 -0.006 0.000 0.290 7 G C 0.653 175.576 174.900 0.038 0.000 1.310 7 G CA -0.427 44.704 45.100 0.050 0.000 1.025 7 G HN 0.628 nan 8.290 nan 0.000 0.502 8 K N -0.757 119.651 120.400 0.013 0.000 2.052 8 K HA -0.226 4.090 4.320 -0.006 0.000 0.215 8 K C 2.817 179.425 176.600 0.013 0.000 1.053 8 K CA 2.357 58.650 56.287 0.010 0.000 0.934 8 K CB -0.220 32.275 32.500 -0.010 0.000 0.717 8 K HN 0.486 nan 8.250 nan 0.000 0.450 9 S N -0.167 115.539 115.700 0.009 0.000 2.522 9 S HA -0.007 4.460 4.470 -0.006 0.000 0.227 9 S C 1.495 176.110 174.600 0.025 0.000 0.986 9 S CA 0.711 58.918 58.200 0.012 0.000 0.929 9 S CB 0.199 63.402 63.200 0.004 0.000 0.769 9 S HN 0.201 nan 8.310 nan 0.000 0.529 10 K N 0.461 120.884 120.400 0.039 0.000 2.380 10 K HA 0.418 4.734 4.320 -0.006 0.000 0.198 10 K C 0.342 176.959 176.600 0.027 0.000 1.070 10 K CA 0.241 56.551 56.287 0.039 0.000 1.040 10 K CB 0.870 33.413 32.500 0.071 0.000 0.903 10 K HN 0.421 nan 8.250 nan 0.000 0.549 11 A N 1.658 124.499 122.820 0.034 0.000 2.331 11 A HA 0.256 4.572 4.320 -0.006 0.000 0.283 11 A C -0.477 177.121 177.584 0.023 0.000 1.142 11 A CA -0.097 51.961 52.037 0.035 0.000 0.812 11 A CB 0.771 19.801 19.000 0.049 0.000 1.074 11 A HN 0.098 nan 8.150 nan 0.000 0.497 12 Q N 1.362 121.173 119.800 0.018 0.000 2.322 12 Q HA 0.451 4.787 4.340 -0.006 0.000 0.265 12 Q C -0.868 175.142 176.000 0.018 0.000 0.985 12 Q CA 0.061 55.872 55.803 0.012 0.000 0.849 12 Q CB 0.924 29.663 28.738 0.001 0.000 1.274 12 Q HN 0.716 nan 8.270 nan 0.000 0.449 13 D N 1.536 121.947 120.400 0.020 0.000 2.981 13 D HA -0.180 4.457 4.640 -0.006 0.000 0.223 13 D C -1.022 175.300 176.300 0.036 0.000 1.151 13 D CA 1.433 55.447 54.000 0.024 0.000 0.827 13 D CB -1.382 39.430 40.800 0.019 0.000 1.101 13 D HN 0.703 nan 8.370 nan 0.000 0.426 14 A N -1.287 121.558 122.820 0.042 0.000 2.515 14 A HA 0.564 4.881 4.320 -0.006 0.000 0.292 14 A C 0.198 177.819 177.584 0.062 0.000 1.065 14 A CA -0.578 51.493 52.037 0.058 0.000 0.641 14 A CB 0.948 19.987 19.000 0.064 0.000 1.306 14 A HN -0.096 nan 8.150 nan 0.000 0.441 15 K N -0.493 119.956 120.400 0.083 0.000 2.348 15 K HA 0.536 4.852 4.320 -0.006 0.000 0.194 15 K C 0.261 176.910 176.600 0.082 0.000 1.052 15 K CA 1.095 57.423 56.287 0.068 0.000 1.004 15 K CB 1.055 33.590 32.500 0.060 0.000 0.873 15 K HN 1.099 nan 8.250 nan 0.000 0.523 16 A N 1.243 124.142 122.820 0.132 0.000 2.555 16 A HA 0.597 4.913 4.320 -0.006 0.000 0.297 16 A C -1.576 176.101 177.584 0.156 0.000 1.060 16 A CA -0.709 51.416 52.037 0.146 0.000 0.710 16 A CB 1.013 20.105 19.000 0.152 0.000 1.282 16 A HN 0.097 nan 8.150 nan 0.000 0.399 17 I N 2.237 122.875 120.570 0.115 0.000 2.499 17 I HA 0.559 4.726 4.170 -0.006 0.000 0.288 17 I C -0.317 175.833 176.117 0.055 0.000 1.048 17 I CA -0.281 61.063 61.300 0.074 0.000 1.062 17 I CB 2.180 40.227 38.000 0.078 0.000 1.238 17 I HN 0.801 nan 8.210 nan 0.000 0.426 18 M N 7.548 127.146 119.600 -0.004 0.000 2.253 18 M HA 0.681 5.157 4.480 -0.006 0.000 0.314 18 M C -2.016 174.180 176.300 -0.174 0.000 1.019 18 M CA -0.529 54.733 55.300 -0.063 0.000 0.932 18 M CB 1.717 34.304 32.600 -0.022 0.000 1.606 18 M HN 0.347 nan 8.290 nan 0.000 0.430 19 V N 4.983 124.649 119.914 -0.412 0.000 2.487 19 V HA 0.498 4.614 4.120 -0.006 0.000 0.298 19 V C -0.786 174.820 176.094 -0.815 0.000 1.028 19 V CA -0.669 61.242 62.300 -0.649 0.000 0.860 19 V CB 1.728 32.898 31.823 -1.088 0.000 0.991 19 V HN 0.976 nan 8.190 nan 0.000 0.427 20 N N 2.605 120.971 118.700 -0.557 0.000 2.258 20 N HA 0.707 5.443 4.740 -0.006 0.000 0.299 20 N C -0.278 174.940 175.510 -0.486 0.000 1.047 20 N CA -0.416 52.348 53.050 -0.477 0.000 0.814 20 N CB 2.061 40.419 38.487 -0.215 0.000 1.413 20 N HN 0.894 nan 8.380 nan 0.000 0.478 21 G N 3.263 111.783 108.800 -0.466 0.000 4.040 21 G HA2 0.287 4.244 3.960 -0.006 0.000 0.328 21 G HA3 0.287 4.244 3.960 -0.006 0.000 0.328 21 G C -2.866 171.838 174.900 -0.326 0.000 1.503 21 G CA -0.874 43.994 45.100 -0.387 0.000 0.909 21 G HN 0.388 nan 8.290 nan 0.000 0.495 22 P HA 0.102 nan 4.420 nan 0.000 0.271 22 P C -0.594 176.350 177.300 -0.593 0.000 1.220 22 P CA 0.268 63.093 63.100 -0.458 0.000 0.768 22 P CB 1.445 32.897 31.700 -0.413 0.000 0.848 23 Q N 2.459 121.881 119.800 -0.630 0.000 2.425 23 Q HA 0.321 4.657 4.340 -0.006 0.000 0.254 23 Q C -0.468 175.158 176.000 -0.625 0.000 1.032 23 Q CA -0.280 55.214 55.803 -0.514 0.000 0.798 23 Q CB 0.747 29.374 28.738 -0.186 0.000 1.210 23 Q HN 0.457 nan 8.270 nan 0.000 0.491 24 F N 0.350 120.009 119.950 -0.486 0.000 2.706 24 F HA 0.376 4.899 4.527 -0.006 0.000 0.313 24 F C 1.140 176.676 175.800 -0.439 0.000 1.096 24 F CA 0.171 57.857 58.000 -0.523 0.000 1.219 24 F CB 1.235 39.611 39.000 -1.039 0.000 1.051 24 F HN 0.704 nan 8.300 nan 0.000 0.568 25 G N -0.358 108.116 108.800 -0.543 0.000 2.566 25 G HA2 -0.140 3.817 3.960 -0.006 0.000 0.599 25 G HA3 -0.140 3.817 3.960 -0.006 0.000 0.599 25 G C -1.376 172.915 174.900 -1.014 0.000 1.292 25 G CA -1.186 43.532 45.100 -0.637 0.000 0.922 25 G HN 0.069 nan 8.290 nan 0.000 0.514 26 W N -0.105 120.746 121.300 -0.749 0.000 2.683 26 W HA 0.652 5.308 4.660 -0.006 0.000 0.329 26 W C -1.024 174.978 176.519 -0.862 0.000 1.037 26 W CA -0.697 56.202 57.345 -0.743 0.000 1.232 26 W CB 1.900 30.787 29.460 -0.956 0.000 1.390 26 W HN 0.556 nan 8.180 nan 0.000 0.465 27 Y N 0.698 121.166 120.300 0.280 0.000 2.581 27 Y HA 0.667 5.214 4.550 -0.006 0.000 0.345 27 Y C -0.109 175.951 175.900 0.267 0.000 1.036 27 Y CA -1.399 56.856 58.100 0.258 0.000 1.042 27 Y CB 1.862 40.440 38.460 0.196 0.000 1.289 27 Y HN 0.368 nan 8.280 nan 0.000 0.471 28 A N 2.935 125.942 122.820 0.311 0.000 2.353 28 A HA 0.762 5.078 4.320 -0.006 0.000 0.299 28 A C -2.969 174.675 177.584 0.100 0.000 1.089 28 A CA -1.928 50.180 52.037 0.118 0.000 0.736 28 A CB 1.069 20.096 19.000 0.044 0.000 1.195 28 A HN 0.368 nan 8.150 nan 0.000 0.447 29 P HA 0.364 nan 4.420 nan 0.000 0.275 29 P C 0.242 177.563 177.300 0.035 0.000 1.266 29 P CA -0.121 62.965 63.100 -0.022 0.000 0.793 29 P CB 0.622 32.308 31.700 -0.023 0.000 1.074 30 A N 0.543 123.371 122.820 0.013 0.000 2.565 30 A HA -0.114 4.202 4.320 -0.006 0.000 0.237 30 A C 1.071 178.651 177.584 -0.006 0.000 1.053 30 A CA 0.119 52.188 52.037 0.053 0.000 0.755 30 A CB -0.977 18.026 19.000 0.005 0.000 0.980 30 A HN 0.658 nan 8.150 nan 0.000 0.506 31 Y N 2.706 122.968 120.300 -0.063 0.000 2.181 31 Y HA -0.097 4.449 4.550 -0.005 0.000 0.288 31 Y C 1.849 177.542 175.900 -0.345 0.000 1.146 31 Y CA 2.259 60.202 58.100 -0.261 0.000 1.164 31 Y CB -0.114 38.260 38.460 -0.144 0.000 0.982 31 Y HN 0.786 nan 8.280 nan 0.000 0.515 32 T N -2.557 111.965 114.554 -0.054 0.000 2.948 32 T HA 0.342 4.688 4.350 -0.006 0.000 0.285 32 T C -1.502 173.191 174.700 -0.011 0.000 1.019 32 T CA -0.588 61.474 62.100 -0.063 0.000 1.013 32 T CB 1.767 70.708 68.868 0.121 0.000 1.117 32 T HN 0.131 nan 8.240 nan 0.000 0.533 33 Y N -0.033 120.196 120.300 -0.117 0.000 2.346 33 Y HA 0.573 5.119 4.550 -0.006 0.000 0.332 33 Y C 0.132 176.005 175.900 -0.046 0.000 0.985 33 Y CA -0.697 57.347 58.100 -0.093 0.000 1.112 33 Y CB 1.385 39.766 38.460 -0.132 0.000 1.170 33 Y HN 1.132 nan 8.280 nan 0.000 0.447 34 G N 5.222 113.667 108.800 -0.592 0.000 2.415 34 G HA2 0.511 4.467 3.960 -0.006 0.000 0.269 34 G HA3 0.511 4.467 3.960 -0.006 0.000 0.269 34 G C -1.633 173.074 174.900 -0.321 0.000 1.209 34 G CA -0.300 44.601 45.100 -0.332 0.000 0.835 34 G HN 0.705 nan 8.290 nan 0.000 0.534 35 I N 0.668 121.185 120.570 -0.088 0.000 2.753 35 I HA 0.612 4.779 4.170 -0.006 0.000 0.291 35 I C -0.248 175.863 176.117 -0.010 0.000 1.425 35 I CA -0.309 60.994 61.300 0.005 0.000 1.039 35 I CB 1.980 40.063 38.000 0.138 0.000 1.349 35 I HN 0.765 nan 8.210 nan 0.000 0.430 36 G N 7.271 116.061 108.800 -0.016 0.000 2.530 36 G HA2 0.719 4.675 3.960 -0.006 0.000 0.316 36 G HA3 0.719 4.675 3.960 -0.006 0.000 0.316 36 G C -1.762 172.955 174.900 -0.304 0.000 1.298 36 G CA -0.610 44.431 45.100 -0.099 0.000 0.948 36 G HN 0.589 nan 8.290 nan 0.000 0.486 37 L N 3.002 123.878 121.223 -0.577 0.000 2.406 37 L HA 0.465 4.801 4.340 -0.006 0.000 0.272 37 L C -0.967 175.556 176.870 -0.579 0.000 0.980 37 L CA -0.946 53.630 54.840 -0.441 0.000 0.831 37 L CB 2.143 44.065 42.059 -0.229 0.000 1.253 37 L HN 0.485 nan 8.230 nan 0.000 0.406 38 H N 2.907 122.028 119.070 0.085 0.000 2.953 38 H HA 0.726 5.278 4.556 -0.007 0.000 0.290 38 H C 0.056 175.443 175.328 0.099 0.000 1.113 38 H CA -0.610 55.496 56.048 0.097 0.000 1.454 38 H CB 1.993 31.794 29.762 0.066 0.000 1.525 38 H HN 0.838 nan 8.280 nan 0.000 0.505 39 G N 0.224 109.149 108.800 0.209 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 -0.227 174.800 174.900 0.211 0.000 1.476 39 G CA -0.249 44.952 45.100 0.168 0.000 0.978 39 G HN 0.847 nan 8.290 nan 0.000 0.656 40 A N -1.183 121.729 122.820 0.152 0.000 2.783 40 A HA 0.357 4.673 4.320 -0.006 0.000 0.292 40 A C 2.529 180.151 177.584 0.063 0.000 1.495 40 A CA 2.321 54.442 52.037 0.140 0.000 0.787 40 A CB -1.500 17.628 19.000 0.213 0.000 1.017 40 A HN 3.247 nan 8.150 nan 0.000 0.516 41 G N -3.740 105.061 108.800 0.001 0.000 2.234 41 G HA2 -0.260 3.697 3.960 -0.006 0.000 0.235 41 G HA3 -0.260 3.697 3.960 -0.006 0.000 0.235 41 G C 0.028 174.799 174.900 -0.215 0.000 0.997 41 G CA 0.556 45.568 45.100 -0.146 0.000 0.623 41 G HN 1.447 nan 8.290 nan 0.000 0.514 42 Y N 0.896 121.233 120.300 0.062 0.000 2.323 42 Y HA 0.624 5.170 4.550 -0.007 0.000 0.331 42 Y C 0.134 176.077 175.900 0.071 0.000 1.092 42 Y CA -0.634 57.504 58.100 0.062 0.000 1.150 42 Y CB 1.743 40.223 38.460 0.034 0.000 1.200 42 Y HN 0.047 nan 8.280 nan 0.000 0.472 43 D N 2.341 122.887 120.400 0.243 0.000 2.668 43 D HA 0.331 4.967 4.640 -0.006 0.000 0.247 43 D C -1.594 174.800 176.300 0.157 0.000 1.268 43 D CA -0.150 53.985 54.000 0.225 0.000 0.842 43 D CB 0.415 41.349 40.800 0.224 0.000 1.399 43 D HN 0.332 nan 8.370 nan 0.000 0.530 44 V N -0.729 119.206 119.914 0.036 0.000 3.001 44 V HA 0.960 5.076 4.120 -0.006 0.000 0.314 44 V C -0.412 175.619 176.094 -0.104 0.000 1.099 44 V CA -0.498 61.810 62.300 0.013 0.000 0.989 44 V CB 2.079 34.019 31.823 0.195 0.000 1.040 44 V HN 0.212 nan 8.190 nan 0.000 0.434 45 T N 0.916 115.369 114.554 -0.170 0.000 2.956 45 T HA 0.878 5.224 4.350 -0.006 0.000 0.312 45 T C -0.191 174.450 174.700 -0.099 0.000 1.151 45 T CA 0.604 62.632 62.100 -0.120 0.000 1.024 45 T CB 1.091 69.902 68.868 -0.096 0.000 1.140 45 T HN 2.256 nan 8.240 nan 0.000 0.473 46 G N 3.234 112.015 108.800 -0.033 0.000 2.398 46 G HA2 0.396 4.352 3.960 -0.006 0.000 0.251 46 G HA3 0.396 4.352 3.960 -0.006 0.000 0.251 46 G C -1.837 173.091 174.900 0.045 0.000 1.277 46 G CA -0.080 45.026 45.100 0.009 0.000 0.927 46 G HN 1.252 nan 8.290 nan 0.000 0.477 47 N N -1.725 117.056 118.700 0.135 0.000 2.494 47 N HA 0.727 5.464 4.740 -0.006 0.000 0.270 47 N C -1.160 174.504 175.510 0.257 0.000 1.285 47 N CA -0.026 53.111 53.050 0.145 0.000 0.812 47 N CB 2.462 41.004 38.487 0.091 0.000 1.557 47 N HN 0.760 nan 8.380 nan 0.000 0.487 48 T N 0.187 114.836 114.554 0.159 0.000 2.982 48 T HA 0.531 4.877 4.350 -0.006 0.000 0.321 48 T C -3.080 171.529 174.700 -0.153 0.000 1.229 48 T CA -1.267 60.854 62.100 0.035 0.000 1.044 48 T CB 1.342 70.199 68.868 -0.018 0.000 1.184 48 T HN 0.459 nan 8.240 nan 0.000 0.477 49 P HA 0.278 nan 4.420 nan 0.000 0.265 49 P C 0.063 176.753 177.300 -1.016 0.000 1.193 49 P CA 0.272 62.952 63.100 -0.701 0.000 0.765 49 P CB -0.244 31.072 31.700 -0.640 0.000 0.823 50 F N 0.896 120.327 119.950 -0.866 0.000 3.100 50 F HA -0.288 4.235 4.527 -0.006 0.000 0.284 50 F C 1.311 176.809 175.800 -0.504 0.000 0.875 50 F CA 0.846 58.458 58.000 -0.646 0.000 1.039 50 F CB -2.525 36.136 39.000 -0.566 0.000 1.111 50 F HN 0.548 nan 8.300 nan 0.000 0.575 51 A N -2.232 120.408 122.820 -0.300 0.000 2.704 51 A HA -0.270 4.046 4.320 -0.006 0.000 0.299 51 A C 0.597 178.139 177.584 -0.071 0.000 1.507 51 A CA 0.824 52.741 52.037 -0.200 0.000 0.776 51 A CB -2.254 16.461 19.000 -0.475 0.000 1.027 51 A HN 0.536 nan 8.150 nan 0.000 0.475 52 Y N -1.812 118.432 120.300 -0.093 0.000 3.142 52 Y HA -0.010 4.536 4.550 -0.006 0.000 0.347 52 Y C -0.251 175.576 175.900 -0.121 0.000 1.269 52 Y CA -0.200 57.822 58.100 -0.130 0.000 1.560 52 Y CB -0.577 37.763 38.460 -0.200 0.000 1.220 52 Y HN 0.278 nan 8.280 nan 0.000 0.626 53 P HA -0.133 nan 4.420 nan 0.000 0.216 53 P C 0.473 177.744 177.300 -0.049 0.000 1.157 53 P CA 1.965 65.039 63.100 -0.044 0.000 0.880 53 P CB 0.143 31.795 31.700 -0.080 0.000 0.791 54 G N -0.391 108.391 108.800 -0.031 0.000 2.372 54 G HA2 0.421 4.377 3.960 -0.006 0.000 0.283 54 G HA3 0.421 4.377 3.960 -0.006 0.000 0.283 54 G C -0.935 173.973 174.900 0.012 0.000 1.177 54 G CA -0.305 44.789 45.100 -0.010 0.000 0.842 54 G HN -0.046 nan 8.290 nan 0.000 0.503 55 L N 2.769 124.046 121.223 0.091 0.000 2.315 55 L HA 0.141 4.478 4.340 -0.006 0.000 0.283 55 L C 1.495 178.481 176.870 0.193 0.000 1.089 55 L CA 0.098 55.037 54.840 0.165 0.000 0.833 55 L CB 1.521 43.782 42.059 0.336 0.000 1.170 55 L HN 0.345 nan 8.230 nan 0.000 0.442 56 V N 3.594 123.408 119.914 -0.166 0.000 2.667 56 V HA -0.085 4.031 4.120 -0.006 0.000 0.252 56 V C 0.170 176.019 176.094 -0.408 0.000 1.065 56 V CA 1.166 63.211 62.300 -0.425 0.000 1.083 56 V CB -0.639 30.634 31.823 -0.917 0.000 0.692 56 V HN 0.476 nan 8.190 nan 0.000 0.468 57 F N -0.303 119.845 119.950 0.329 0.000 2.496 57 F HA 0.794 5.317 4.527 -0.006 0.000 0.341 57 F C 0.470 176.222 175.800 -0.080 0.000 1.134 57 F CA -0.308 57.771 58.000 0.131 0.000 0.968 57 F CB 1.472 40.531 39.000 0.098 0.000 1.205 57 F HN 0.039 nan 8.300 nan 0.000 0.436 58 G N 1.560 110.104 108.800 -0.427 0.000 2.335 58 G HA2 0.483 4.439 3.960 -0.006 0.000 0.291 58 G HA3 0.483 4.439 3.960 -0.006 0.000 0.291 58 G C -2.068 172.171 174.900 -1.102 0.000 1.261 58 G CA -0.699 44.105 45.100 -0.494 0.000 0.871 58 G HN 0.948 nan 8.290 nan 0.000 0.491 59 H N -1.002 117.525 119.070 -0.904 0.000 3.014 59 H HA 0.480 5.033 4.556 -0.005 0.000 0.337 59 H C -0.919 174.312 175.328 -0.162 0.000 1.320 59 H CA -0.258 55.322 56.048 -0.779 0.000 1.128 59 H CB 1.378 30.891 29.762 -0.415 0.000 1.862 59 H HN 0.642 nan 8.280 nan 0.000 0.536 60 N N -0.240 118.486 118.700 0.044 0.000 2.282 60 N HA 0.221 4.958 4.740 -0.006 0.000 0.240 60 N C 1.213 176.847 175.510 0.207 0.000 1.182 60 N CA 0.260 53.388 53.050 0.130 0.000 0.874 60 N CB 0.700 39.409 38.487 0.369 0.000 1.126 60 N HN 1.061 nan 8.380 nan 0.000 0.516 61 G N -1.058 108.006 108.800 0.440 0.000 2.241 61 G HA2 -0.322 3.634 3.960 -0.006 0.000 0.244 61 G HA3 -0.322 3.634 3.960 -0.006 0.000 0.244 61 G C 0.550 175.707 174.900 0.428 0.000 0.998 61 G CA 0.513 45.874 45.100 0.435 0.000 0.621 61 G HN 0.279 nan 8.290 nan 0.000 0.519 62 V N 0.708 120.838 119.914 0.360 0.000 2.996 62 V HA 0.466 4.582 4.120 -0.006 0.000 0.235 62 V C 1.163 177.239 176.094 -0.031 0.000 1.205 62 V CA 1.508 63.914 62.300 0.176 0.000 1.225 62 V CB 0.228 32.134 31.823 0.138 0.000 0.995 62 V HN 0.796 nan 8.190 nan 0.000 0.484 63 I N -0.800 119.852 120.570 0.137 0.000 2.910 63 I HA 0.872 5.038 4.170 -0.006 0.000 0.310 63 I C -0.393 175.898 176.117 0.291 0.000 1.043 63 I CA -0.433 60.859 61.300 -0.013 0.000 1.053 63 I CB 2.364 40.307 38.000 -0.094 0.000 1.242 63 I HN 0.141 nan 8.210 nan 0.000 0.452 64 S N 2.114 117.898 115.700 0.140 0.000 2.570 64 S HA 0.832 5.298 4.470 -0.006 0.000 0.286 64 S C -1.366 173.257 174.600 0.040 0.000 1.099 64 S CA -0.621 57.580 58.200 0.000 0.000 0.913 64 S CB 1.257 64.453 63.200 -0.007 0.000 1.085 64 S HN 1.012 nan 8.310 nan 0.000 0.480 65 W N 0.138 121.492 121.300 0.091 0.000 3.029 65 W HA 0.931 5.587 4.660 -0.006 0.000 0.339 65 W C -0.340 176.320 176.519 0.235 0.000 1.198 65 W CA -0.770 56.658 57.345 0.139 0.000 1.148 65 W CB 0.921 30.485 29.460 0.173 0.000 1.451 65 W HN 1.089 nan 8.180 nan 0.000 0.564 66 G N 0.160 109.308 108.800 0.580 0.000 2.559 66 G HA2 0.582 4.538 3.960 -0.006 0.000 0.291 66 G HA3 0.582 4.538 3.960 -0.006 0.000 0.291 66 G C -1.906 173.438 174.900 0.741 0.000 1.424 66 G CA -0.939 44.520 45.100 0.599 0.000 0.786 66 G HN 0.626 nan 8.290 nan 0.000 0.485 67 S N -1.241 114.925 115.700 0.777 0.000 2.595 67 S HA 0.913 5.379 4.470 -0.006 0.000 0.281 67 S C -0.344 174.692 174.600 0.726 0.000 1.117 67 S CA -0.143 58.557 58.200 0.835 0.000 0.873 67 S CB 2.075 65.754 63.200 0.797 0.000 1.108 67 S HN 1.426 nan 8.310 nan 0.000 0.477 68 T N -1.072 113.922 114.554 0.734 0.000 2.896 68 T HA 0.814 5.160 4.350 -0.006 0.000 0.297 68 T C -0.435 174.548 174.700 0.472 0.000 1.108 68 T CA -0.816 61.596 62.100 0.520 0.000 1.004 68 T CB 1.319 70.487 68.868 0.500 0.000 1.159 68 T HN 0.787 nan 8.240 nan 0.000 0.499 69 A N 0.616 123.655 122.820 0.365 0.000 2.520 69 A HA 0.549 4.866 4.320 -0.006 0.000 0.245 69 A C 1.500 179.279 177.584 0.325 0.000 1.072 69 A CA 0.132 52.305 52.037 0.225 0.000 0.761 69 A CB -0.467 18.592 19.000 0.098 0.000 1.004 69 A HN 1.286 nan 8.150 nan 0.000 0.499 70 G N 0.931 109.864 108.800 0.222 0.000 2.408 70 G HA2 0.180 4.136 3.960 -0.006 0.000 0.215 70 G HA3 0.180 4.136 3.960 -0.006 0.000 0.215 70 G C 0.435 175.755 174.900 0.701 0.000 1.156 70 G CA 0.431 45.814 45.100 0.472 0.000 0.793 70 G HN 0.876 nan 8.290 nan 0.000 0.535 71 F N 0.222 120.380 119.950 0.347 0.000 3.067 71 F HA -0.167 4.357 4.527 -0.006 0.000 0.279 71 F C 1.492 177.450 175.800 0.264 0.000 0.945 71 F CA -0.051 58.008 58.000 0.099 0.000 0.948 71 F CB -1.537 37.255 39.000 -0.347 0.000 0.898 71 F HN 0.316 nan 8.300 nan 0.000 0.746 72 G N -0.197 108.957 108.800 0.590 0.000 2.547 72 G HA2 0.389 4.345 3.960 -0.006 0.000 0.291 72 G HA3 0.389 4.345 3.960 -0.006 0.000 0.291 72 G C -0.799 174.306 174.900 0.341 0.000 1.211 72 G CA -0.341 45.115 45.100 0.593 0.000 0.950 72 G HN 0.181 nan 8.290 nan 0.000 0.504 73 D N -0.073 120.450 120.400 0.206 0.000 2.411 73 D HA 0.200 4.836 4.640 -0.006 0.000 0.225 73 D C -0.081 176.364 176.300 0.240 0.000 1.156 73 D CA -0.588 53.502 54.000 0.150 0.000 0.874 73 D CB 1.089 41.909 40.800 0.034 0.000 1.034 73 D HN 0.317 nan 8.370 nan 0.000 0.502 74 D N 1.966 122.513 120.400 0.244 0.000 2.513 74 D HA 0.091 4.727 4.640 -0.006 0.000 0.222 74 D C -0.376 176.012 176.300 0.147 0.000 1.210 74 D CA -0.261 53.843 54.000 0.173 0.000 0.825 74 D CB 0.134 41.019 40.800 0.141 0.000 1.037 74 D HN 0.057 nan 8.370 nan 0.000 0.506 75 V N 1.002 121.029 119.914 0.188 0.000 2.525 75 V HA 0.406 4.523 4.120 -0.006 0.000 0.299 75 V C -1.098 175.150 176.094 0.256 0.000 1.034 75 V CA -0.702 61.728 62.300 0.216 0.000 0.863 75 V CB 2.126 34.041 31.823 0.153 0.000 0.999 75 V HN 0.014 nan 8.190 nan 0.000 0.423 76 D N 3.854 124.482 120.400 0.380 0.000 2.490 76 D HA 0.565 5.201 4.640 -0.006 0.000 0.232 76 D C -0.774 175.629 176.300 0.172 0.000 1.053 76 D CA -0.415 53.752 54.000 0.278 0.000 0.914 76 D CB 2.672 43.705 40.800 0.388 0.000 1.431 76 D HN 0.172 nan 8.370 nan 0.000 0.483 77 I N 1.045 121.635 120.570 0.034 0.000 2.359 77 I HA 0.338 4.504 4.170 -0.006 0.000 0.294 77 I C -0.416 175.637 176.117 -0.108 0.000 0.987 77 I CA -0.473 60.854 61.300 0.044 0.000 1.225 77 I CB 0.487 38.513 38.000 0.042 0.000 1.366 77 I HN 0.173 nan 8.210 nan 0.000 0.466 78 F N 3.816 123.688 119.950 -0.129 0.000 2.426 78 F HA 0.510 5.034 4.527 -0.006 0.000 0.348 78 F C 0.666 176.358 175.800 -0.181 0.000 1.124 78 F CA -0.726 57.098 58.000 -0.295 0.000 1.008 78 F CB 1.682 40.191 39.000 -0.818 0.000 1.139 78 F HN 0.511 nan 8.300 nan 0.000 0.452 79 A N 4.206 126.999 122.820 -0.045 0.000 2.437 79 A HA 0.350 4.666 4.320 -0.006 0.000 0.303 79 A C 0.024 177.532 177.584 -0.126 0.000 1.324 79 A CA -0.575 51.347 52.037 -0.192 0.000 0.983 79 A CB -0.357 18.539 19.000 -0.173 0.000 1.142 79 A HN 0.577 nan 8.150 nan 0.000 0.541 80 E N 1.630 121.746 120.200 -0.140 0.000 2.283 80 E HA 0.153 4.500 4.350 -0.006 0.000 0.278 80 E C -0.075 176.518 176.600 -0.011 0.000 1.027 80 E CA -0.480 55.906 56.400 -0.023 0.000 0.843 80 E CB 1.247 30.916 29.700 -0.051 0.000 1.062 80 E HN 0.598 nan 8.360 nan 0.000 0.401 81 R N 3.456 123.997 120.500 0.070 0.000 2.248 81 R HA 0.205 4.541 4.340 -0.006 0.000 0.337 81 R C -0.179 176.254 176.300 0.221 0.000 1.085 81 R CA -0.056 56.099 56.100 0.091 0.000 0.934 81 R CB -0.163 30.163 30.300 0.045 0.000 1.034 81 R HN 0.414 nan 8.270 nan 0.000 0.465 82 L N 1.537 122.891 121.223 0.217 0.000 2.472 82 L HA 0.475 4.812 4.340 -0.006 0.000 0.256 82 L C 0.256 177.330 176.870 0.340 0.000 1.111 82 L CA -0.847 54.172 54.840 0.298 0.000 0.800 82 L CB 1.421 43.545 42.059 0.109 0.000 1.286 82 L HN 0.527 nan 8.230 nan 0.000 0.479 83 S N -1.251 114.546 115.700 0.161 0.000 2.614 83 S HA 0.519 4.985 4.470 -0.006 0.000 0.288 83 S C 0.485 175.025 174.600 -0.100 0.000 1.137 83 S CA -0.111 58.040 58.200 -0.081 0.000 0.992 83 S CB 1.740 64.561 63.200 -0.631 0.000 1.026 83 S HN 0.669 nan 8.310 nan 0.000 0.486 84 A N 4.044 126.818 122.820 -0.075 0.000 1.948 84 A HA -0.032 4.284 4.320 -0.006 0.000 0.220 84 A C 0.547 178.074 177.584 -0.096 0.000 1.177 84 A CA 1.397 53.394 52.037 -0.067 0.000 0.636 84 A CB -0.599 18.372 19.000 -0.048 0.000 0.815 84 A HN 0.861 nan 8.150 nan 0.000 0.449 85 E N -0.521 119.589 120.200 -0.151 0.000 2.191 85 E HA 0.479 4.825 4.350 -0.006 0.000 0.278 85 E C -0.326 176.119 176.600 -0.260 0.000 0.972 85 E CA -0.460 55.836 56.400 -0.173 0.000 0.804 85 E CB 0.869 30.462 29.700 -0.179 0.000 1.110 85 E HN 0.392 nan 8.360 nan 0.000 0.394 86 K N -0.106 120.159 120.400 -0.225 0.000 3.244 86 K HA -0.092 4.225 4.320 -0.006 0.000 0.269 86 K C -2.645 173.900 176.600 -0.092 0.000 1.150 86 K CA -0.130 55.981 56.287 -0.293 0.000 0.799 86 K CB -1.890 30.259 32.500 -0.585 0.000 1.286 86 K HN 0.372 nan 8.250 nan 0.000 0.488 87 P HA 0.265 nan 4.420 nan 0.000 0.279 87 P C 0.976 178.381 177.300 0.173 0.000 1.239 87 P CA 1.335 64.465 63.100 0.051 0.000 0.789 87 P CB 1.334 33.033 31.700 -0.002 0.000 0.933 88 G N 0.149 108.979 108.800 0.050 0.000 2.159 88 G HA2 -0.209 3.747 3.960 -0.006 0.000 0.227 88 G HA3 -0.209 3.747 3.960 -0.006 0.000 0.227 88 G C -0.488 174.459 174.900 0.078 0.000 0.986 88 G CA -0.290 44.823 45.100 0.022 0.000 0.651 88 G HN 0.445 nan 8.290 nan 0.000 0.523 89 Y N -0.495 119.908 120.300 0.171 0.000 2.598 89 Y HA 0.746 5.293 4.550 -0.006 0.000 0.340 89 Y C 0.164 176.353 175.900 0.482 0.000 1.038 89 Y CA -1.057 57.222 58.100 0.298 0.000 1.100 89 Y CB 1.744 40.360 38.460 0.259 0.000 1.281 89 Y HN 0.499 nan 8.280 nan 0.000 0.488 90 Y N -0.495 120.084 120.300 0.466 0.000 2.552 90 Y HA 0.592 5.139 4.550 -0.006 0.000 0.337 90 Y C -2.053 173.854 175.900 0.013 0.000 1.094 90 Y CA -1.741 56.525 58.100 0.278 0.000 1.028 90 Y CB 0.506 39.030 38.460 0.107 0.000 1.321 90 Y HN 0.462 nan 8.280 nan 0.000 0.456 91 L N 4.901 125.888 121.223 -0.394 0.000 2.361 91 L HA 0.363 4.699 4.340 -0.006 0.000 0.278 91 L C -0.692 176.037 176.870 -0.235 0.000 1.113 91 L CA 0.506 54.900 54.840 -0.742 0.000 0.849 91 L CB -0.380 41.107 42.059 -0.953 0.000 1.155 91 L HN 0.898 nan 8.230 nan 0.000 0.452 92 H N 5.302 124.142 119.070 -0.383 0.000 2.934 92 H HA 0.224 4.776 4.556 -0.006 0.000 0.340 92 H C -0.217 175.002 175.328 -0.182 0.000 1.008 92 H CA -0.563 55.371 56.048 -0.190 0.000 1.317 92 H CB 0.774 30.445 29.762 -0.151 0.000 1.670 92 H HN 0.798 nan 8.280 nan 0.000 0.516 93 N N 3.251 121.678 118.700 -0.456 0.000 2.686 93 N HA -0.230 4.506 4.740 -0.006 0.000 0.261 93 N C 0.804 176.166 175.510 -0.247 0.000 1.001 93 N CA 0.715 53.535 53.050 -0.382 0.000 0.764 93 N CB -0.709 37.483 38.487 -0.492 0.000 0.898 93 N HN 1.024 nan 8.380 nan 0.000 0.544 94 G N -0.332 108.338 108.800 -0.218 0.000 2.179 94 G HA2 -0.358 3.599 3.960 -0.006 0.000 0.257 94 G HA3 -0.358 3.599 3.960 -0.006 0.000 0.257 94 G C -0.194 174.599 174.900 -0.179 0.000 1.010 94 G CA 1.182 46.174 45.100 -0.181 0.000 0.736 94 G HN 0.648 nan 8.290 nan 0.000 0.513 95 K N -1.950 118.309 120.400 -0.235 0.000 2.509 95 K HA 0.542 4.859 4.320 -0.006 0.000 0.266 95 K C -1.255 175.190 176.600 -0.257 0.000 0.987 95 K CA -1.272 54.923 56.287 -0.153 0.000 0.868 95 K CB 1.306 33.767 32.500 -0.064 0.000 1.421 95 K HN 0.036 nan 8.250 nan 0.000 0.444 96 W N 1.812 123.098 121.300 -0.024 0.000 2.317 96 W HA 0.328 4.985 4.660 -0.006 0.000 0.327 96 W C -0.394 176.186 176.519 0.103 0.000 1.036 96 W CA -0.524 56.831 57.345 0.017 0.000 1.419 96 W CB 0.979 30.444 29.460 0.009 0.000 1.253 96 W HN 0.122 nan 8.180 nan 0.000 0.392 97 V N 4.317 124.199 119.914 -0.055 0.000 2.649 97 V HA 0.174 4.291 4.120 -0.006 0.000 0.292 97 V C 0.672 176.588 176.094 -0.296 0.000 1.055 97 V CA -1.168 60.992 62.300 -0.234 0.000 1.023 97 V CB 1.017 32.489 31.823 -0.585 0.000 0.992 97 V HN 0.274 nan 8.190 nan 0.000 0.480 98 K N 3.312 123.512 120.400 -0.334 0.000 2.185 98 K HA 0.443 4.759 4.320 -0.006 0.000 0.271 98 K C -0.311 176.267 176.600 -0.037 0.000 1.013 98 K CA -0.454 55.488 56.287 -0.575 0.000 0.943 98 K CB 0.865 33.019 32.500 -0.577 0.000 0.998 98 K HN 0.589 nan 8.250 nan 0.000 0.468 99 M N 3.382 123.035 119.600 0.088 0.000 2.255 99 M HA 0.213 4.690 4.480 -0.006 0.000 0.336 99 M C -0.093 176.299 176.300 0.152 0.000 1.135 99 M CA -0.474 54.984 55.300 0.263 0.000 1.145 99 M CB 0.792 33.659 32.600 0.446 0.000 1.473 99 M HN 0.372 nan 8.290 nan 0.000 0.462 100 L N 1.798 123.073 121.223 0.087 0.000 2.439 100 L HA 0.329 4.665 4.340 -0.006 0.000 0.269 100 L C 0.184 177.001 176.870 -0.088 0.000 1.179 100 L CA -0.180 54.653 54.840 -0.011 0.000 0.828 100 L CB 0.700 42.739 42.059 -0.033 0.000 1.106 100 L HN 0.783 nan 8.230 nan 0.000 0.467 101 S N 2.926 118.469 115.700 -0.262 0.000 2.556 101 S HA 0.810 5.276 4.470 -0.006 0.000 0.271 101 S C -0.965 173.380 174.600 -0.424 0.000 1.135 101 S CA -1.056 56.800 58.200 -0.574 0.000 0.858 101 S CB 2.689 65.180 63.200 -1.181 0.000 1.114 101 S HN 0.803 nan 8.310 nan 0.000 0.468 102 R N 0.963 121.198 120.500 -0.442 0.000 2.668 102 R HA 0.598 4.934 4.340 -0.006 0.000 0.272 102 R C -1.610 174.475 176.300 -0.360 0.000 1.019 102 R CA -0.700 55.211 56.100 -0.314 0.000 0.894 102 R CB 1.587 31.750 30.300 -0.229 0.000 1.228 102 R HN 0.716 nan 8.270 nan 0.000 0.460 103 E N 1.432 121.450 120.200 -0.303 0.000 2.191 103 E HA 0.244 4.591 4.350 -0.006 0.000 0.274 103 E C -0.979 175.412 176.600 -0.349 0.000 0.948 103 E CA -0.768 55.439 56.400 -0.323 0.000 0.802 103 E CB 1.680 31.248 29.700 -0.219 0.000 1.137 103 E HN 0.415 nan 8.360 nan 0.000 0.397 104 E N 1.531 121.428 120.200 -0.504 0.000 2.272 104 E HA 0.344 4.690 4.350 -0.006 0.000 0.269 104 E C -1.219 175.196 176.600 -0.309 0.000 0.877 104 E CA -0.614 55.503 56.400 -0.472 0.000 0.755 104 E CB 2.346 31.602 29.700 -0.741 0.000 1.192 104 E HN 0.312 nan 8.360 nan 0.000 0.422 105 T N 2.748 117.224 114.554 -0.131 0.000 2.792 105 T HA 0.428 4.774 4.350 -0.006 0.000 0.280 105 T C 0.052 174.769 174.700 0.029 0.000 0.990 105 T CA -0.619 61.464 62.100 -0.028 0.000 0.960 105 T CB 0.597 69.447 68.868 -0.031 0.000 0.939 105 T HN 0.187 nan 8.240 nan 0.000 0.439 106 I N 3.811 124.436 120.570 0.092 0.000 2.297 106 I HA 0.239 4.405 4.170 -0.006 0.000 0.291 106 I C 0.960 177.107 176.117 0.051 0.000 1.033 106 I CA -0.512 60.843 61.300 0.092 0.000 1.253 106 I CB 0.282 38.359 38.000 0.129 0.000 1.396 106 I HN 0.540 nan 8.210 nan 0.000 0.476 107 T N 6.007 120.578 114.554 0.028 0.000 2.907 107 T HA 0.442 4.788 4.350 -0.006 0.000 0.298 107 T C 0.248 174.958 174.700 0.018 0.000 1.017 107 T CA -0.202 61.909 62.100 0.018 0.000 1.118 107 T CB 1.365 70.238 68.868 0.007 0.000 0.948 107 T HN 0.298 nan 8.240 nan 0.000 0.531 108 V N 3.806 123.729 119.914 0.016 0.000 2.443 108 V HA 0.352 4.468 4.120 -0.006 0.000 0.293 108 V C 0.019 176.119 176.094 0.010 0.000 1.021 108 V CA -1.258 61.050 62.300 0.014 0.000 0.848 108 V CB 1.643 33.477 31.823 0.017 0.000 0.998 108 V HN 0.752 nan 8.190 nan 0.000 0.424 109 K N 4.448 124.853 120.400 0.008 0.000 2.453 109 K HA 0.060 4.376 4.320 -0.006 0.000 0.280 109 K C 0.557 177.162 176.600 0.009 0.000 1.045 109 K CA 1.057 57.348 56.287 0.007 0.000 1.059 109 K CB -0.845 31.658 32.500 0.006 0.000 0.901 109 K HN 0.731 nan 8.250 nan 0.000 0.475 110 N N 1.558 120.263 118.700 0.008 0.000 2.725 110 N HA -0.212 4.525 4.740 -0.006 0.000 0.249 110 N C -0.321 175.195 175.510 0.010 0.000 1.103 110 N CA 0.818 53.873 53.050 0.009 0.000 0.707 110 N CB -0.918 37.574 38.487 0.009 0.000 1.043 110 N HN 0.791 nan 8.380 nan 0.000 0.553 111 G N -0.702 108.105 108.800 0.011 0.000 2.788 111 G HA2 0.545 4.501 3.960 -0.006 0.000 0.293 111 G HA3 0.545 4.501 3.960 -0.006 0.000 0.293 111 G C -1.508 173.400 174.900 0.014 0.000 1.392 111 G CA -0.610 44.498 45.100 0.013 0.000 0.810 111 G HN 0.098 nan 8.290 nan 0.000 0.508 112 Q N -0.442 119.368 119.800 0.016 0.000 2.259 112 Q HA 0.601 4.937 4.340 -0.006 0.000 0.246 112 Q C 0.350 176.364 176.000 0.023 0.000 0.920 112 Q CA -0.490 55.324 55.803 0.018 0.000 0.895 112 Q CB 1.351 30.100 28.738 0.019 0.000 1.220 112 Q HN 0.774 nan 8.270 nan 0.000 0.439 113 A N 3.300 126.135 122.820 0.024 0.000 2.351 113 A HA 0.266 4.582 4.320 -0.006 0.000 0.257 113 A C -0.655 176.956 177.584 0.045 0.000 1.087 113 A CA -0.104 51.952 52.037 0.032 0.000 0.798 113 A CB 0.504 19.518 19.000 0.024 0.000 1.033 113 A HN 0.803 nan 8.150 nan 0.000 0.488 114 E N 0.008 120.249 120.200 0.068 0.000 2.248 114 E HA 0.510 4.856 4.350 -0.006 0.000 0.267 114 E C -0.764 175.928 176.600 0.152 0.000 0.877 114 E CA -0.551 55.909 56.400 0.101 0.000 0.759 114 E CB 2.111 31.876 29.700 0.108 0.000 1.182 114 E HN 0.753 nan 8.360 nan 0.000 0.418 115 T N 0.404 115.046 114.554 0.146 0.000 2.876 115 T HA 0.753 5.100 4.350 -0.006 0.000 0.289 115 T C -0.771 174.053 174.700 0.208 0.000 1.014 115 T CA -0.691 61.478 62.100 0.115 0.000 0.986 115 T CB 0.610 69.480 68.868 0.003 0.000 1.021 115 T HN 0.431 nan 8.240 nan 0.000 0.458 116 F N -0.744 119.209 119.950 0.004 0.000 2.711 116 F HA 0.820 5.344 4.527 -0.006 0.000 0.313 116 F C -1.108 174.685 175.800 -0.012 0.000 1.141 116 F CA -1.055 56.956 58.000 0.019 0.000 0.941 116 F CB 1.105 40.125 39.000 0.034 0.000 1.349 116 F HN 0.579 nan 8.300 nan 0.000 0.464 117 T N 1.756 116.328 114.554 0.029 0.000 2.856 117 T HA 0.672 5.018 4.350 -0.006 0.000 0.283 117 T C -1.010 173.650 174.700 -0.066 0.000 1.008 117 T CA -0.636 61.348 62.100 -0.194 0.000 0.997 117 T CB 1.859 70.626 68.868 -0.168 0.000 0.992 117 T HN 0.587 nan 8.240 nan 0.000 0.454 118 V N 2.504 122.264 119.914 -0.257 0.000 2.435 118 V HA 0.544 4.661 4.120 -0.006 0.000 0.290 118 V C -1.055 174.889 176.094 -0.250 0.000 1.030 118 V CA -0.978 61.281 62.300 -0.068 0.000 0.881 118 V CB 1.199 33.015 31.823 -0.013 0.000 0.983 118 V HN 0.845 nan 8.190 nan 0.000 0.445 119 W N 3.438 124.753 121.300 0.024 0.000 2.666 119 W HA 0.826 5.483 4.660 -0.005 0.000 0.334 119 W C 0.091 176.590 176.519 -0.033 0.000 1.051 119 W CA -0.620 56.721 57.345 -0.007 0.000 1.224 119 W CB 1.618 31.078 29.460 0.000 0.000 1.405 119 W HN 0.432 nan 8.180 nan 0.000 0.513 120 R N 1.353 121.960 120.500 0.178 0.000 2.584 120 R HA 0.576 4.912 4.340 -0.006 0.000 0.276 120 R C -0.372 175.907 176.300 -0.036 0.000 1.046 120 R CA -0.311 55.811 56.100 0.036 0.000 0.906 120 R CB 1.694 31.991 30.300 -0.005 0.000 1.215 120 R HN 0.624 nan 8.270 nan 0.000 0.449 121 T N -0.995 113.457 114.554 -0.169 0.000 2.768 121 T HA 0.185 4.531 4.350 -0.006 0.000 0.268 121 T C 0.895 175.439 174.700 -0.260 0.000 0.969 121 T CA -0.378 61.509 62.100 -0.356 0.000 1.008 121 T CB 0.970 69.334 68.868 -0.839 0.000 1.371 121 T HN 0.266 nan 8.240 nan 0.000 0.587 122 V N 0.595 120.318 119.914 -0.319 0.000 2.720 122 V HA -0.118 3.998 4.120 -0.006 0.000 0.256 122 V C 2.109 177.906 176.094 -0.496 0.000 1.082 122 V CA 1.634 63.702 62.300 -0.386 0.000 1.101 122 V CB -1.265 30.259 31.823 -0.498 0.000 0.693 122 V HN 0.841 nan 8.190 nan 0.000 0.479 123 H N -0.215 118.575 119.070 -0.467 0.000 2.497 123 H HA 0.438 4.990 4.556 -0.006 0.000 0.282 123 H C 1.047 176.155 175.328 -0.366 0.000 1.003 123 H CA 0.956 56.659 56.048 -0.574 0.000 1.307 123 H CB 0.679 29.974 29.762 -0.779 0.000 1.437 123 H HN 0.590 nan 8.280 nan 0.000 0.544 124 G N 0.292 109.005 108.800 -0.145 0.000 2.352 124 G HA2 -0.123 3.833 3.960 -0.006 0.000 0.283 124 G HA3 -0.123 3.833 3.960 -0.006 0.000 0.283 124 G C -1.399 173.466 174.900 -0.058 0.000 1.308 124 G CA -1.025 44.012 45.100 -0.104 0.000 0.892 124 G HN 0.068 nan 8.290 nan 0.000 0.504 125 N N 0.212 118.900 118.700 -0.019 0.000 2.479 125 N HA 0.373 5.110 4.740 -0.006 0.000 0.257 125 N C 0.440 175.982 175.510 0.053 0.000 1.232 125 N CA -0.225 52.844 53.050 0.031 0.000 0.920 125 N CB 0.520 39.038 38.487 0.052 0.000 1.105 125 N HN 0.411 nan 8.380 nan 0.000 0.444 126 I N 2.965 123.591 120.570 0.094 0.000 2.337 126 I HA 0.032 4.198 4.170 -0.006 0.000 0.291 126 I C 1.547 177.740 176.117 0.127 0.000 1.046 126 I CA -0.049 61.311 61.300 0.100 0.000 1.324 126 I CB 0.475 38.541 38.000 0.110 0.000 1.409 126 I HN 0.503 nan 8.210 nan 0.000 0.494 127 L N 5.840 127.139 121.223 0.127 0.000 2.007 127 L HA -0.092 4.244 4.340 -0.006 0.000 0.205 127 L C 0.842 177.791 176.870 0.130 0.000 1.073 127 L CA 1.240 56.153 54.840 0.123 0.000 0.744 127 L CB 0.127 42.256 42.059 0.115 0.000 0.898 127 L HN 0.711 nan 8.230 nan 0.000 0.435 128 Q N -1.821 118.082 119.800 0.172 0.000 2.522 128 Q HA 0.469 4.805 4.340 -0.006 0.000 0.285 128 Q C -1.147 174.972 176.000 0.198 0.000 0.982 128 Q CA -0.880 55.025 55.803 0.170 0.000 0.805 128 Q CB 1.787 30.620 28.738 0.159 0.000 1.457 128 Q HN 0.028 nan 8.270 nan 0.000 0.394 129 T N -2.025 112.605 114.554 0.126 0.000 2.900 129 T HA 0.506 4.852 4.350 -0.006 0.000 0.295 129 T C -1.243 173.501 174.700 0.073 0.000 1.044 129 T CA -0.696 61.439 62.100 0.058 0.000 0.995 129 T CB 1.846 70.703 68.868 -0.018 0.000 1.072 129 T HN 0.571 nan 8.240 nan 0.000 0.473 130 D N 1.138 121.561 120.400 0.038 0.000 2.464 130 D HA 0.270 4.907 4.640 -0.006 0.000 0.243 130 D C 1.136 177.444 176.300 0.014 0.000 1.104 130 D CA -0.480 53.551 54.000 0.051 0.000 0.883 130 D CB 1.421 42.271 40.800 0.083 0.000 1.050 130 D HN 0.615 nan 8.370 nan 0.000 0.524 131 Q N 1.075 120.884 119.800 0.015 0.000 2.124 131 Q HA -0.142 4.195 4.340 -0.006 0.000 0.202 131 Q C 1.850 177.855 176.000 0.010 0.000 0.977 131 Q CA 1.880 57.685 55.803 0.004 0.000 0.850 131 Q CB -0.125 28.616 28.738 0.004 0.000 0.901 131 Q HN 0.661 nan 8.270 nan 0.000 0.429 132 T N -0.677 113.888 114.554 0.019 0.000 2.665 132 T HA -0.185 4.161 4.350 -0.006 0.000 0.268 132 T C 2.074 176.785 174.700 0.019 0.000 1.035 132 T CA 1.901 64.013 62.100 0.020 0.000 1.151 132 T CB -0.790 68.093 68.868 0.026 0.000 0.862 132 T HN 0.436 nan 8.240 nan 0.000 0.438 133 T N -1.824 112.741 114.554 0.019 0.000 3.107 133 T HA 0.172 4.518 4.350 -0.006 0.000 0.249 133 T C 0.477 175.182 174.700 0.008 0.000 1.096 133 T CA -0.084 62.025 62.100 0.015 0.000 1.012 133 T CB -0.294 68.584 68.868 0.015 0.000 0.977 133 T HN 0.380 nan 8.240 nan 0.000 0.527 134 Q N 1.066 120.868 119.800 0.004 0.000 2.452 134 Q HA -0.117 4.220 4.340 -0.006 0.000 0.318 134 Q C -0.779 175.214 176.000 -0.012 0.000 1.386 134 Q CA 0.892 56.699 55.803 0.007 0.000 0.872 134 Q CB -2.656 26.103 28.738 0.036 0.000 1.151 134 Q HN 0.657 nan 8.270 nan 0.000 0.417 135 T N -0.327 114.185 114.554 -0.069 0.000 2.893 135 T HA 0.800 5.147 4.350 -0.006 0.000 0.293 135 T C -0.565 173.989 174.700 -0.242 0.000 1.027 135 T CA 0.001 61.993 62.100 -0.179 0.000 0.988 135 T CB 2.025 70.742 68.868 -0.251 0.000 1.043 135 T HN 0.397 nan 8.240 nan 0.000 0.461 136 A N 2.339 124.984 122.820 -0.292 0.000 2.386 136 A HA 0.789 5.105 4.320 -0.006 0.000 0.311 136 A C -1.742 175.659 177.584 -0.306 0.000 1.068 136 A CA -0.715 51.189 52.037 -0.220 0.000 0.743 136 A CB 0.914 19.836 19.000 -0.130 0.000 1.258 136 A HN 0.800 nan 8.150 nan 0.000 0.429 137 Y N 0.934 121.232 120.300 -0.004 0.000 2.328 137 Y HA 0.543 5.089 4.550 -0.006 0.000 0.337 137 Y C 0.717 176.617 175.900 -0.001 0.000 1.008 137 Y CA -0.049 58.050 58.100 -0.001 0.000 1.129 137 Y CB 1.866 40.331 38.460 0.008 0.000 1.185 137 Y HN 0.812 nan 8.280 nan 0.000 0.476 138 A N 4.298 127.192 122.820 0.124 0.000 2.288 138 A HA 0.485 4.802 4.320 -0.006 0.000 0.320 138 A C -0.492 177.151 177.584 0.098 0.000 1.217 138 A CA -0.991 51.087 52.037 0.068 0.000 0.840 138 A CB 0.537 19.533 19.000 -0.007 0.000 1.179 138 A HN 0.747 nan 8.150 nan 0.000 0.504 139 K N 2.016 122.458 120.400 0.070 0.000 2.276 139 K HA 0.372 4.689 4.320 -0.006 0.000 0.285 139 K C -0.310 176.299 176.600 0.014 0.000 1.062 139 K CA 0.018 56.343 56.287 0.064 0.000 0.918 139 K CB 0.597 33.129 32.500 0.053 0.000 1.055 139 K HN 0.586 nan 8.250 nan 0.000 0.477 140 S N 4.767 120.495 115.700 0.048 0.000 2.474 140 S HA 0.409 4.876 4.470 -0.006 0.000 0.321 140 S C -0.846 173.799 174.600 0.076 0.000 1.080 140 S CA -0.954 57.220 58.200 -0.044 0.000 1.106 140 S CB 0.533 63.612 63.200 -0.202 0.000 0.984 140 S HN 0.664 nan 8.310 nan 0.000 0.464 141 R N 2.915 123.334 120.500 -0.136 0.000 2.349 141 R HA 0.584 4.921 4.340 -0.006 0.000 0.299 141 R C 1.285 177.516 176.300 -0.116 0.000 1.027 141 R CA -0.052 55.834 56.100 -0.356 0.000 0.958 141 R CB 0.874 30.364 30.300 -1.350 0.000 1.047 141 R HN 0.717 nan 8.270 nan 0.000 0.468 142 A N 3.690 126.487 122.820 -0.039 0.000 2.067 142 A HA -0.093 4.223 4.320 -0.006 0.000 0.219 142 A C 1.007 178.571 177.584 -0.034 0.000 1.158 142 A CA 0.704 52.727 52.037 -0.022 0.000 0.661 142 A CB -0.399 18.451 19.000 -0.250 0.000 0.801 142 A HN 0.960 nan 8.150 nan 0.000 0.452 143 W N -0.499 120.800 121.300 -0.003 0.000 3.290 143 W HA 0.237 4.893 4.660 -0.006 0.000 0.287 143 W C -0.444 176.073 176.519 -0.004 0.000 1.288 143 W CA -0.333 56.984 57.345 -0.046 0.000 1.725 143 W CB -0.886 28.526 29.460 -0.080 0.000 1.103 143 W HN 0.251 nan 8.180 nan 0.000 0.670 144 D N 1.710 122.038 120.400 -0.121 0.000 2.531 144 D HA 0.191 4.828 4.640 -0.006 0.000 0.239 144 D C 1.529 177.856 176.300 0.045 0.000 1.144 144 D CA 2.474 56.423 54.000 -0.085 0.000 0.869 144 D CB 0.527 41.215 40.800 -0.187 0.000 1.160 144 D HN 0.348 nan 8.370 nan 0.000 0.484 145 G N 3.729 112.580 108.800 0.084 0.000 2.175 145 G HA2 -0.284 3.673 3.960 -0.006 0.000 0.244 145 G HA3 -0.284 3.673 3.960 -0.006 0.000 0.244 145 G C 0.747 175.687 174.900 0.066 0.000 0.982 145 G CA 0.478 45.612 45.100 0.056 0.000 0.641 145 G HN 0.581 nan 8.290 nan 0.000 0.527 146 K N -0.544 119.924 120.400 0.113 0.000 2.589 146 K HA 0.290 4.607 4.320 -0.006 0.000 0.198 146 K C 1.296 177.934 176.600 0.063 0.000 1.114 146 K CA 0.142 56.471 56.287 0.069 0.000 1.070 146 K CB 0.675 33.203 32.500 0.047 0.000 0.860 146 K HN 0.232 nan 8.250 nan 0.000 0.536 147 E N 0.900 121.161 120.200 0.101 0.000 2.038 147 E HA -0.164 4.183 4.350 -0.006 0.000 0.195 147 E C 1.770 178.356 176.600 -0.023 0.000 1.000 147 E CA 1.530 57.951 56.400 0.034 0.000 0.803 147 E CB -0.067 29.678 29.700 0.075 0.000 0.750 147 E HN -0.020 nan 8.360 nan 0.000 0.448 148 V N 1.004 120.910 119.914 -0.013 0.000 2.343 148 V HA -0.263 3.854 4.120 -0.006 0.000 0.247 148 V C 2.211 178.281 176.094 -0.040 0.000 1.051 148 V CA 1.786 64.065 62.300 -0.034 0.000 1.036 148 V CB -0.853 30.956 31.823 -0.023 0.000 0.654 148 V HN 0.367 nan 8.190 nan 0.000 0.451 149 A N -0.500 122.301 122.820 -0.032 0.000 2.019 149 A HA -0.180 4.137 4.320 -0.006 0.000 0.219 149 A C 2.452 179.997 177.584 -0.065 0.000 1.164 149 A CA 2.076 54.086 52.037 -0.045 0.000 0.644 149 A CB -0.507 18.466 19.000 -0.046 0.000 0.805 149 A HN 0.515 nan 8.150 nan 0.000 0.449 150 S N -0.587 115.076 115.700 -0.062 0.000 2.387 150 S HA -0.045 4.421 4.470 -0.006 0.000 0.226 150 S C 1.842 176.473 174.600 0.051 0.000 1.026 150 S CA 0.966 59.128 58.200 -0.063 0.000 0.972 150 S CB -0.408 62.745 63.200 -0.079 0.000 0.814 150 S HN 0.597 nan 8.310 nan 0.000 0.477 151 L N 1.426 122.655 121.223 0.009 0.000 2.012 151 L HA -0.120 4.216 4.340 -0.006 0.000 0.210 151 L C 1.989 178.843 176.870 -0.026 0.000 1.073 151 L CA 1.479 56.308 54.840 -0.018 0.000 0.748 151 L CB -0.268 41.722 42.059 -0.116 0.000 0.891 151 L HN 0.308 nan 8.230 nan 0.000 0.431 152 L N -0.443 120.727 121.223 -0.088 0.000 2.093 152 L HA -0.149 4.187 4.340 -0.006 0.000 0.208 152 L C 2.803 179.541 176.870 -0.219 0.000 1.085 152 L CA 0.968 55.677 54.840 -0.219 0.000 0.755 152 L CB -0.699 41.258 42.059 -0.170 0.000 0.904 152 L HN 0.348 nan 8.230 nan 0.000 0.435 153 A N -0.958 121.817 122.820 -0.074 0.000 1.969 153 A HA -0.229 4.087 4.320 -0.006 0.000 0.218 153 A C 2.081 179.696 177.584 0.052 0.000 1.169 153 A CA 0.940 52.950 52.037 -0.045 0.000 0.635 153 A CB -0.729 18.177 19.000 -0.157 0.000 0.810 153 A HN 0.563 nan 8.150 nan 0.000 0.445 154 W N 1.081 122.376 121.300 -0.009 0.000 2.519 154 W HA -0.051 4.605 4.660 -0.006 0.000 0.266 154 W C 1.858 178.268 176.519 -0.181 0.000 1.253 154 W CA 1.734 59.051 57.345 -0.047 0.000 1.274 154 W CB -0.663 28.784 29.460 -0.020 0.000 1.114 154 W HN 0.398 nan 8.180 nan 0.000 0.596 155 T N -1.658 112.911 114.554 0.027 0.000 2.770 155 T HA -0.142 4.205 4.350 -0.006 0.000 0.258 155 T C 1.331 176.055 174.700 0.040 0.000 1.039 155 T CA 1.464 63.530 62.100 -0.056 0.000 1.143 155 T CB -0.576 68.178 68.868 -0.190 0.000 0.866 155 T HN 0.223 nan 8.240 nan 0.000 0.428 156 H N 1.534 120.649 119.070 0.074 0.000 2.457 156 H HA -0.078 4.475 4.556 -0.006 0.000 0.294 156 H C 2.546 177.849 175.328 -0.043 0.000 1.064 156 H CA 1.163 57.233 56.048 0.037 0.000 1.330 156 H CB 0.006 29.759 29.762 -0.015 0.000 1.395 156 H HN 0.473 nan 8.280 nan 0.000 0.541 157 Q N 0.748 120.542 119.800 -0.010 0.000 2.291 157 Q HA -0.135 4.201 4.340 -0.006 0.000 0.206 157 Q C 1.745 177.594 176.000 -0.252 0.000 0.976 157 Q CA 1.475 57.194 55.803 -0.139 0.000 0.875 157 Q CB -0.355 28.174 28.738 -0.348 0.000 0.927 157 Q HN 0.495 nan 8.270 nan 0.000 0.450 158 M N 0.345 119.748 119.600 -0.328 0.000 2.374 158 M HA -0.058 4.419 4.480 -0.006 0.000 0.264 158 M C 1.390 177.708 176.300 0.030 0.000 1.067 158 M CA 1.406 56.482 55.300 -0.374 0.000 1.103 158 M CB -0.178 32.417 32.600 -0.009 0.000 1.402 158 M HN 0.195 nan 8.290 nan 0.000 0.444 159 K N 0.628 121.045 120.400 0.028 0.000 2.400 159 K HA 0.246 4.562 4.320 -0.006 0.000 0.194 159 K C 0.745 177.384 176.600 0.065 0.000 1.033 159 K CA -0.036 56.251 56.287 -0.001 0.000 1.021 159 K CB 0.024 32.429 32.500 -0.157 0.000 0.808 159 K HN 0.222 nan 8.250 nan 0.000 0.505 160 A N 1.977 124.869 122.820 0.120 0.000 2.520 160 A HA -0.013 4.304 4.320 -0.006 0.000 0.235 160 A C 0.643 178.363 177.584 0.228 0.000 1.065 160 A CA 0.399 52.550 52.037 0.191 0.000 0.764 160 A CB 0.305 19.503 19.000 0.331 0.000 1.002 160 A HN 0.167 nan 8.150 nan 0.000 0.502 161 K N 0.414 120.936 120.400 0.204 0.000 2.438 161 K HA 0.091 4.408 4.320 -0.006 0.000 0.206 161 K C -0.442 176.297 176.600 0.233 0.000 1.081 161 K CA 0.378 56.780 56.287 0.191 0.000 1.053 161 K CB 0.263 32.841 32.500 0.130 0.000 0.908 161 K HN 0.936 nan 8.250 nan 0.000 0.556 162 N N -2.201 116.680 118.700 0.301 0.000 3.277 162 N HA -0.006 4.731 4.740 -0.006 0.000 0.278 162 N C -0.017 175.728 175.510 0.392 0.000 1.544 162 N CA -0.934 52.333 53.050 0.362 0.000 0.869 162 N CB -0.197 38.429 38.487 0.232 0.000 1.584 162 N HN -0.058 nan 8.380 nan 0.000 0.564 163 W N 0.387 121.682 121.300 -0.009 0.000 2.381 163 W HA -0.123 4.533 4.660 -0.006 0.000 0.301 163 W C 0.973 177.455 176.519 -0.062 0.000 1.205 163 W CA 1.944 59.106 57.345 -0.305 0.000 1.285 163 W CB 0.055 29.144 29.460 -0.618 0.000 1.133 163 W HN 0.672 nan 8.180 nan 0.000 0.521 164 Q N 0.476 120.290 119.800 0.023 0.000 2.050 164 Q HA -0.272 4.064 4.340 -0.006 0.000 0.202 164 Q C 2.306 178.261 176.000 -0.076 0.000 0.980 164 Q CA 2.219 57.983 55.803 -0.066 0.000 0.840 164 Q CB -0.662 28.089 28.738 0.022 0.000 0.898 164 Q HN 0.429 nan 8.270 nan 0.000 0.424 165 Q N -0.691 119.126 119.800 0.028 0.000 2.079 165 Q HA -0.173 4.163 4.340 -0.006 0.000 0.200 165 Q C 1.703 177.723 176.000 0.034 0.000 0.974 165 Q CA 1.129 56.946 55.803 0.024 0.000 0.840 165 Q CB -0.224 28.561 28.738 0.078 0.000 0.898 165 Q HN 0.448 nan 8.270 nan 0.000 0.430 166 W N 1.518 122.764 121.300 -0.090 0.000 2.358 166 W HA -0.184 4.472 4.660 -0.006 0.000 0.303 166 W C 2.251 178.635 176.519 -0.224 0.000 1.208 166 W CA 2.270 59.570 57.345 -0.075 0.000 1.274 166 W CB -0.233 29.295 29.460 0.113 0.000 1.138 166 W HN 0.159 nan 8.180 nan 0.000 0.515 167 T N -1.805 112.524 114.554 -0.375 0.000 3.035 167 T HA -0.177 4.170 4.350 -0.006 0.000 0.268 167 T C 1.558 175.899 174.700 -0.598 0.000 1.109 167 T CA 1.390 63.130 62.100 -0.600 0.000 1.119 167 T CB -0.432 68.059 68.868 -0.628 0.000 0.900 167 T HN 0.345 nan 8.240 nan 0.000 0.503 168 Q N 0.295 119.843 119.800 -0.420 0.000 2.124 168 Q HA -0.106 4.231 4.340 -0.006 0.000 0.202 168 Q C 2.563 178.302 176.000 -0.436 0.000 0.977 168 Q CA 1.249 56.816 55.803 -0.392 0.000 0.850 168 Q CB -0.069 28.526 28.738 -0.238 0.000 0.901 168 Q HN 0.520 nan 8.270 nan 0.000 0.429 169 Q N -0.696 118.866 119.800 -0.397 0.000 2.269 169 Q HA 0.035 4.372 4.340 -0.006 0.000 0.201 169 Q C 1.926 177.580 176.000 -0.576 0.000 0.946 169 Q CA 1.015 56.602 55.803 -0.360 0.000 0.877 169 Q CB -0.108 28.506 28.738 -0.206 0.000 0.963 169 Q HN 0.327 nan 8.270 nan 0.000 0.472 170 A N 1.256 123.598 122.820 -0.796 0.000 1.933 170 A HA -0.048 4.268 4.320 -0.006 0.000 0.218 170 A C 2.238 179.207 177.584 -1.024 0.000 1.175 170 A CA 1.639 52.973 52.037 -1.173 0.000 0.628 170 A CB -0.515 17.877 19.000 -1.013 0.000 0.814 170 A HN 0.322 nan 8.150 nan 0.000 0.444 171 A N -0.530 121.615 122.820 -1.125 0.000 2.172 171 A HA -0.064 4.253 4.320 -0.006 0.000 0.216 171 A C 1.907 179.102 177.584 -0.647 0.000 1.154 171 A CA 1.435 52.749 52.037 -1.205 0.000 0.701 171 A CB -0.269 17.852 19.000 -1.465 0.000 0.789 171 A HN 0.550 nan 8.150 nan 0.000 0.465 172 K N -0.733 119.334 120.400 -0.555 0.000 2.361 172 K HA 0.079 4.396 4.320 -0.006 0.000 0.194 172 K C 0.529 176.889 176.600 -0.399 0.000 1.032 172 K CA -0.165 55.892 56.287 -0.382 0.000 1.048 172 K CB 0.294 32.628 32.500 -0.276 0.000 0.842 172 K HN 0.301 nan 8.250 nan 0.000 0.526 173 Q N 1.139 120.580 119.800 -0.599 0.000 2.307 173 Q HA 0.154 4.490 4.340 -0.006 0.000 0.261 173 Q C 0.125 175.827 176.000 -0.498 0.000 1.051 173 Q CA 0.023 55.452 55.803 -0.622 0.000 0.911 173 Q CB 1.387 29.435 28.738 -1.149 0.000 1.227 173 Q HN 0.224 nan 8.270 nan 0.000 0.418 174 A N 5.433 128.060 122.820 -0.322 0.000 2.238 174 A HA 0.205 4.522 4.320 -0.006 0.000 0.210 174 A C 0.643 178.079 177.584 -0.246 0.000 1.179 174 A CA -0.050 51.844 52.037 -0.238 0.000 0.827 174 A CB 0.302 19.253 19.000 -0.081 0.000 0.856 174 A HN 0.656 nan 8.150 nan 0.000 0.488 175 L N -0.390 120.640 121.223 -0.322 0.000 2.399 175 L HA 0.255 4.591 4.340 -0.006 0.000 0.266 175 L C 0.814 177.526 176.870 -0.263 0.000 1.114 175 L CA -0.425 54.200 54.840 -0.358 0.000 0.804 175 L CB 1.000 42.843 42.059 -0.360 0.000 1.146 175 L HN 0.073 nan 8.230 nan 0.000 0.451 176 T N 4.081 118.543 114.554 -0.153 0.000 2.775 176 T HA 0.399 4.745 4.350 -0.006 0.000 0.287 176 T C -0.393 174.263 174.700 -0.073 0.000 0.909 176 T CA -0.276 61.789 62.100 -0.057 0.000 1.081 176 T CB -0.753 68.223 68.868 0.181 0.000 0.891 176 T HN 0.235 nan 8.240 nan 0.000 0.544 177 I N 4.617 125.104 120.570 -0.138 0.000 2.692 177 I HA 0.361 4.527 4.170 -0.006 0.000 0.293 177 I C -0.278 175.834 176.117 -0.009 0.000 1.200 177 I CA -1.134 60.183 61.300 0.030 0.000 1.036 177 I CB 2.077 40.154 38.000 0.128 0.000 1.258 177 I HN 0.498 nan 8.210 nan 0.000 0.421 178 N N 3.900 122.757 118.700 0.261 0.000 2.514 178 N HA 0.253 4.990 4.740 -0.006 0.000 0.277 178 N C -1.113 174.637 175.510 0.399 0.000 1.126 178 N CA -0.029 53.187 53.050 0.277 0.000 0.978 178 N CB 1.388 40.218 38.487 0.573 0.000 1.106 178 N HN 0.389 nan 8.380 nan 0.000 0.461 179 W N 1.938 123.154 121.300 -0.140 0.000 2.689 179 W HA 0.424 5.080 4.660 -0.006 0.000 0.340 179 W C -0.696 175.884 176.519 0.102 0.000 1.060 179 W CA -0.503 56.909 57.345 0.112 0.000 1.218 179 W CB 0.524 30.004 29.460 0.032 0.000 1.410 179 W HN 0.358 nan 8.180 nan 0.000 0.528 180 Y N 1.771 122.580 120.300 0.848 0.000 2.545 180 Y HA 0.453 5.000 4.550 -0.006 0.000 0.348 180 Y C -0.984 175.138 175.900 0.371 0.000 1.002 180 Y CA -1.556 56.931 58.100 0.645 0.000 1.039 180 Y CB 2.001 40.742 38.460 0.468 0.000 1.271 180 Y HN 0.312 nan 8.280 nan 0.000 0.467 181 Y N 1.208 121.617 120.300 0.182 0.000 2.462 181 Y HA 0.869 5.415 4.550 -0.006 0.000 0.346 181 Y C -1.164 174.767 175.900 0.051 0.000 0.976 181 Y CA -0.955 57.026 58.100 -0.199 0.000 1.044 181 Y CB 1.534 39.751 38.460 -0.405 0.000 1.230 181 Y HN 0.786 nan 8.280 nan 0.000 0.455 182 A N 4.034 126.548 122.820 -0.510 0.000 2.587 182 A HA 0.731 5.047 4.320 -0.006 0.000 0.293 182 A C -1.861 175.307 177.584 -0.693 0.000 1.087 182 A CA -0.408 51.450 52.037 -0.298 0.000 0.692 182 A CB 1.606 20.648 19.000 0.070 0.000 1.291 182 A HN 0.807 nan 8.150 nan 0.000 0.407 183 D N -1.314 118.692 120.400 -0.657 0.000 2.626 183 D HA 0.433 5.070 4.640 -0.006 0.000 0.278 183 D C 0.668 176.220 176.300 -1.246 0.000 1.211 183 D CA 0.121 53.506 54.000 -1.025 0.000 0.903 183 D CB 0.404 40.944 40.800 -0.435 0.000 1.408 183 D HN 0.638 nan 8.370 nan 0.000 0.454 184 V N -0.990 118.279 119.914 -1.074 0.000 2.720 184 V HA -0.102 4.015 4.120 -0.006 0.000 0.256 184 V C 1.091 177.075 176.094 -0.182 0.000 1.082 184 V CA 1.213 63.207 62.300 -0.509 0.000 1.101 184 V CB -0.992 30.753 31.823 -0.130 0.000 0.693 184 V HN 0.544 nan 8.190 nan 0.000 0.479 185 N N 0.850 119.455 118.700 -0.157 0.000 2.398 185 N HA 0.181 4.918 4.740 -0.006 0.000 0.188 185 N C 1.600 177.083 175.510 -0.046 0.000 1.122 185 N CA 1.003 54.021 53.050 -0.053 0.000 0.866 185 N CB 0.959 39.440 38.487 -0.010 0.000 0.970 185 N HN 0.718 nan 8.380 nan 0.000 0.462 186 G N 0.821 109.575 108.800 -0.078 0.000 2.157 186 G HA2 -0.241 3.716 3.960 -0.006 0.000 0.248 186 G HA3 -0.241 3.716 3.960 -0.006 0.000 0.248 186 G C -0.065 174.804 174.900 -0.053 0.000 0.979 186 G CA -0.434 44.645 45.100 -0.036 0.000 0.650 186 G HN 0.280 nan 8.290 nan 0.000 0.529 187 N N 0.752 119.420 118.700 -0.053 0.000 2.525 187 N HA 0.590 5.327 4.740 -0.006 0.000 0.271 187 N C 0.607 176.114 175.510 -0.005 0.000 1.194 187 N CA 0.824 53.816 53.050 -0.097 0.000 0.964 187 N CB 1.270 39.775 38.487 0.031 0.000 1.126 187 N HN 0.832 nan 8.380 nan 0.000 0.452 188 I N -3.195 117.305 120.570 -0.116 0.000 2.865 188 I HA 0.873 5.040 4.170 -0.006 0.000 0.302 188 I C -0.122 176.030 176.117 0.058 0.000 1.140 188 I CA -1.017 60.340 61.300 0.096 0.000 1.021 188 I CB 2.389 40.443 38.000 0.089 0.000 1.233 188 I HN 0.449 nan 8.210 nan 0.000 0.427 189 G N 2.417 111.433 108.800 0.361 0.000 2.677 189 G HA2 0.592 4.548 3.960 -0.006 0.000 0.291 189 G HA3 0.592 4.548 3.960 -0.006 0.000 0.291 189 G C -2.641 172.689 174.900 0.717 0.000 1.435 189 G CA -0.602 44.747 45.100 0.415 0.000 0.826 189 G HN 0.834 nan 8.290 nan 0.000 0.491 190 Y N 0.200 120.843 120.300 0.572 0.000 2.470 190 Y HA 0.680 5.226 4.550 -0.006 0.000 0.341 190 Y C -1.445 174.697 175.900 0.404 0.000 1.021 190 Y CA -1.083 57.252 58.100 0.392 0.000 1.025 190 Y CB 2.268 40.867 38.460 0.231 0.000 1.266 190 Y HN 0.573 nan 8.280 nan 0.000 0.448 191 V N 5.239 124.911 119.914 -0.403 0.000 2.623 191 V HA 0.206 4.322 4.120 -0.006 0.000 0.304 191 V C -1.115 174.558 176.094 -0.702 0.000 1.054 191 V CA -0.887 61.144 62.300 -0.448 0.000 0.882 191 V CB 1.456 33.191 31.823 -0.147 0.000 1.002 191 V HN 0.857 nan 8.190 nan 0.000 0.424 192 H N 3.519 122.132 119.070 -0.762 0.000 3.109 192 H HA 0.454 5.007 4.556 -0.006 0.000 0.266 192 H C 0.703 175.887 175.328 -0.240 0.000 1.334 192 H CA 0.251 56.049 56.048 -0.417 0.000 1.456 192 H CB 0.403 29.942 29.762 -0.372 0.000 1.587 192 H HN 0.882 nan 8.280 nan 0.000 0.500 193 T N 1.730 115.985 114.554 -0.498 0.000 2.754 193 T HA 0.623 4.969 4.350 -0.006 0.000 0.286 193 T C 0.674 175.175 174.700 -0.333 0.000 0.997 193 T CA 0.041 61.862 62.100 -0.466 0.000 0.982 193 T CB 1.182 69.530 68.868 -0.867 0.000 1.027 193 T HN 1.033 nan 8.240 nan 0.000 0.529 194 G N -0.707 107.912 108.800 -0.301 0.000 2.392 194 G HA2 0.491 4.447 3.960 -0.006 0.000 0.677 194 G HA3 0.491 4.447 3.960 -0.006 0.000 0.677 194 G C -0.662 173.939 174.900 -0.499 0.000 1.334 194 G CA -0.472 44.381 45.100 -0.412 0.000 0.961 194 G HN 1.409 nan 8.290 nan 0.000 0.616 195 A N 0.203 122.672 122.820 -0.584 0.000 2.276 195 A HA 0.795 5.112 4.320 -0.006 0.000 0.300 195 A C -0.881 176.234 177.584 -0.782 0.000 1.235 195 A CA -0.252 51.517 52.037 -0.448 0.000 0.867 195 A CB 0.253 19.129 19.000 -0.206 0.000 1.137 195 A HN 1.156 nan 8.150 nan 0.000 0.527 196 Y N 3.107 123.368 120.300 -0.065 0.000 2.409 196 Y HA 0.481 5.027 4.550 -0.006 0.000 0.343 196 Y C -2.094 173.636 175.900 -0.283 0.000 0.973 196 Y CA -2.785 55.234 58.100 -0.135 0.000 1.064 196 Y CB 1.617 40.061 38.460 -0.027 0.000 1.207 196 Y HN 0.511 nan 8.280 nan 0.000 0.452 197 P HA -0.032 nan 4.420 nan 0.000 0.269 197 P C -0.578 176.483 177.300 -0.398 0.000 1.209 197 P CA -0.019 62.607 63.100 -0.789 0.000 0.776 197 P CB 1.055 31.526 31.700 -2.048 0.000 0.876 198 D N 2.549 122.811 120.400 -0.230 0.000 2.467 198 D HA 0.156 4.793 4.640 -0.006 0.000 0.220 198 D C -0.179 176.128 176.300 0.013 0.000 1.103 198 D CA -0.420 53.543 54.000 -0.062 0.000 0.886 198 D CB 0.094 40.904 40.800 0.015 0.000 1.025 198 D HN 0.156 nan 8.370 nan 0.000 0.514 199 R N 2.361 122.849 120.500 -0.020 0.000 2.459 199 R HA 0.259 4.595 4.340 -0.006 0.000 0.281 199 R C 0.574 176.997 176.300 0.204 0.000 1.050 199 R CA -0.834 55.331 56.100 0.109 0.000 1.055 199 R CB 0.882 31.106 30.300 -0.126 0.000 1.045 199 R HN 0.369 nan 8.270 nan 0.000 0.495 200 Q N 0.760 120.764 119.800 0.341 0.000 2.428 200 Q HA 0.017 4.353 4.340 -0.006 0.000 0.276 200 Q C -0.078 176.096 176.000 0.291 0.000 1.059 200 Q CA 0.460 56.425 55.803 0.269 0.000 0.923 200 Q CB 0.617 29.514 28.738 0.266 0.000 1.283 200 Q HN 0.516 nan 8.270 nan 0.000 0.447 201 S N 0.349 116.160 115.700 0.185 0.000 2.546 201 S HA 0.281 4.748 4.470 -0.006 0.000 0.290 201 S C 1.062 175.843 174.600 0.301 0.000 1.290 201 S CA 0.819 59.130 58.200 0.186 0.000 1.069 201 S CB 0.105 63.369 63.200 0.106 0.000 0.846 201 S HN 0.797 nan 8.310 nan 0.000 0.495 202 G N 2.232 111.205 108.800 0.289 0.000 2.176 202 G HA2 -0.254 3.702 3.960 -0.006 0.000 0.253 202 G HA3 -0.254 3.702 3.960 -0.006 0.000 0.253 202 G C -0.050 175.045 174.900 0.324 0.000 0.979 202 G CA 0.417 45.710 45.100 0.322 0.000 0.641 202 G HN 0.926 nan 8.290 nan 0.000 0.530 203 H N 1.034 120.265 119.070 0.270 0.000 2.800 203 H HA 0.470 5.023 4.556 -0.006 0.000 0.291 203 H C -0.539 174.791 175.328 0.003 0.000 1.076 203 H CA -0.304 55.796 56.048 0.087 0.000 1.452 203 H CB 0.646 30.558 29.762 0.251 0.000 1.461 203 H HN 0.113 nan 8.280 nan 0.000 0.488 204 D N 7.468 127.955 120.400 0.145 0.000 2.347 204 D HA 0.061 4.697 4.640 -0.006 0.000 0.235 204 D C -1.736 174.684 176.300 0.200 0.000 1.149 204 D CA -2.453 51.614 54.000 0.110 0.000 0.850 204 D CB 1.591 42.392 40.800 0.003 0.000 1.061 204 D HN 0.464 nan 8.370 nan 0.000 0.487 205 P HA 0.008 nan 4.420 nan 0.000 0.242 205 P C 0.537 177.885 177.300 0.080 0.000 1.197 205 P CA 0.272 63.445 63.100 0.123 0.000 0.765 205 P CB 0.268 31.954 31.700 -0.025 0.000 0.936 206 R N -1.040 119.491 120.500 0.052 0.000 2.312 206 R HA 0.310 4.646 4.340 -0.006 0.000 0.205 206 R C 0.764 177.076 176.300 0.021 0.000 0.904 206 R CA 0.195 56.317 56.100 0.036 0.000 1.052 206 R CB 0.062 30.383 30.300 0.035 0.000 1.014 206 R HN 0.226 nan 8.270 nan 0.000 0.503 207 L N -0.001 121.220 121.223 -0.004 0.000 2.327 207 L HA 0.511 4.847 4.340 -0.006 0.000 0.258 207 L C -2.453 174.353 176.870 -0.106 0.000 1.024 207 L CA -2.704 52.105 54.840 -0.051 0.000 0.825 207 L CB 1.749 43.765 42.059 -0.072 0.000 1.386 207 L HN -0.267 nan 8.230 nan 0.000 0.417 208 P HA 0.183 nan 4.420 nan 0.000 0.269 208 P C -1.275 175.823 177.300 -0.338 0.000 1.215 208 P CA -0.301 62.701 63.100 -0.162 0.000 0.780 208 P CB 0.705 32.407 31.700 0.003 0.000 0.898 209 V N -1.177 118.434 119.914 -0.504 0.000 2.769 209 V HA 0.633 4.750 4.120 -0.006 0.000 0.312 209 V C -2.745 173.107 176.094 -0.404 0.000 1.061 209 V CA -3.272 58.627 62.300 -0.669 0.000 0.931 209 V CB 1.487 32.725 31.823 -0.975 0.000 1.010 209 V HN 0.293 nan 8.190 nan 0.000 0.433 210 P HA 0.205 nan 4.420 nan 0.000 0.265 210 P C 0.809 178.209 177.300 0.166 0.000 1.193 210 P CA 0.493 63.588 63.100 -0.008 0.000 0.765 210 P CB 0.661 32.430 31.700 0.116 0.000 0.823 211 G N 1.253 110.163 108.800 0.184 0.000 3.314 211 G HA2 -0.012 3.944 3.960 -0.006 0.000 0.238 211 G HA3 -0.012 3.944 3.960 -0.006 0.000 0.238 211 G C 0.951 176.130 174.900 0.464 0.000 1.184 211 G CA 0.124 45.428 45.100 0.341 0.000 0.806 211 G HN 0.540 nan 8.290 nan 0.000 0.536 212 T N -3.896 110.858 114.554 0.333 0.000 3.113 212 T HA 0.390 4.737 4.350 -0.006 0.000 0.256 212 T C 1.738 176.580 174.700 0.237 0.000 1.131 212 T CA 1.254 63.500 62.100 0.243 0.000 1.074 212 T CB 0.352 69.282 68.868 0.102 0.000 0.944 212 T HN 0.841 nan 8.240 nan 0.000 0.516 213 G N 1.367 110.351 108.800 0.307 0.000 3.345 213 G HA2 -0.162 3.795 3.960 -0.006 0.000 0.199 213 G HA3 -0.162 3.795 3.960 -0.006 0.000 0.199 213 G C 0.865 175.821 174.900 0.094 0.000 1.057 213 G CA -0.003 45.185 45.100 0.148 0.000 0.865 213 G HN 0.395 nan 8.290 nan 0.000 0.449 214 K N 0.288 120.691 120.400 0.006 0.000 2.288 214 K HA 0.193 4.509 4.320 -0.006 0.000 0.201 214 K C 1.396 177.774 176.600 -0.369 0.000 1.048 214 K CA 0.993 57.138 56.287 -0.236 0.000 0.956 214 K CB -0.303 31.953 32.500 -0.407 0.000 0.746 214 K HN 0.597 nan 8.250 nan 0.000 0.461 215 W N 1.745 123.145 121.300 0.166 0.000 3.278 215 W HA 0.158 4.814 4.660 -0.006 0.000 0.308 215 W C -0.470 176.274 176.519 0.376 0.000 1.253 215 W CA -0.772 56.686 57.345 0.188 0.000 1.759 215 W CB 0.199 29.671 29.460 0.020 0.000 1.093 215 W HN -0.146 nan 8.180 nan 0.000 0.648 216 D N 0.350 121.061 120.400 0.519 0.000 2.472 216 D HA -0.100 4.537 4.640 -0.006 0.000 0.237 216 D C 0.556 177.150 176.300 0.490 0.000 1.141 216 D CA 0.385 54.664 54.000 0.466 0.000 0.875 216 D CB 0.467 41.441 40.800 0.290 0.000 1.192 216 D HN -0.188 nan 8.370 nan 0.000 0.450 217 W N 1.652 123.200 121.300 0.413 0.000 2.160 217 W HA 0.021 4.678 4.660 -0.006 0.000 0.352 217 W C 1.547 178.169 176.519 0.171 0.000 1.288 217 W CA -0.397 57.116 57.345 0.280 0.000 1.279 217 W CB -0.117 29.481 29.460 0.230 0.000 1.181 217 W HN 0.406 nan 8.180 nan 0.000 0.593 218 K N 0.685 121.305 120.400 0.367 0.000 2.323 218 K HA 0.276 4.593 4.320 -0.006 0.000 0.197 218 K C 1.046 177.753 176.600 0.178 0.000 1.043 218 K CA 0.871 57.284 56.287 0.211 0.000 0.997 218 K CB 0.635 33.223 32.500 0.145 0.000 0.807 218 K HN 0.628 nan 8.250 nan 0.000 0.497 219 G N 0.447 109.372 108.800 0.208 0.000 2.441 219 G HA2 0.155 4.112 3.960 -0.006 0.000 0.222 219 G HA3 0.155 4.112 3.960 -0.006 0.000 0.222 219 G C -1.897 173.053 174.900 0.083 0.000 1.254 219 G CA -0.971 44.216 45.100 0.145 0.000 0.959 219 G HN -0.020 nan 8.290 nan 0.000 0.474 220 L N 0.525 121.767 121.223 0.031 0.000 2.370 220 L HA 0.641 4.978 4.340 -0.006 0.000 0.266 220 L C 0.035 176.903 176.870 -0.002 0.000 1.002 220 L CA -0.903 53.921 54.840 -0.026 0.000 0.818 220 L CB 2.063 44.106 42.059 -0.027 0.000 1.325 220 L HN 0.435 nan 8.230 nan 0.000 0.418 221 L N 2.454 123.680 121.223 0.005 0.000 2.436 221 L HA 0.350 4.686 4.340 -0.006 0.000 0.265 221 L C -1.889 175.010 176.870 0.048 0.000 1.168 221 L CA -1.592 53.268 54.840 0.033 0.000 0.815 221 L CB 0.437 42.530 42.059 0.058 0.000 1.109 221 L HN 0.363 nan 8.230 nan 0.000 0.462 222 P HA 0.003 nan 4.420 nan 0.000 0.274 222 P C 0.356 177.706 177.300 0.084 0.000 1.237 222 P CA -0.377 62.759 63.100 0.061 0.000 0.793 222 P CB 0.519 32.246 31.700 0.045 0.000 0.977 223 F N 1.271 121.195 119.950 -0.045 0.000 2.250 223 F HA -0.163 4.360 4.527 -0.005 0.000 0.301 223 F C 2.133 177.905 175.800 -0.048 0.000 1.077 223 F CA 1.712 59.672 58.000 -0.068 0.000 1.348 223 F CB -0.278 38.650 39.000 -0.122 0.000 1.040 223 F HN 0.458 nan 8.300 nan 0.000 0.509 224 E N -0.292 119.857 120.200 -0.085 0.000 2.204 224 E HA -0.220 4.126 4.350 -0.006 0.000 0.195 224 E C 2.004 178.497 176.600 -0.177 0.000 0.990 224 E CA 1.460 57.770 56.400 -0.149 0.000 0.821 224 E CB -0.101 29.577 29.700 -0.036 0.000 0.750 224 E HN 0.348 nan 8.360 nan 0.000 0.477 225 M N 0.857 120.388 119.600 -0.116 0.000 2.394 225 M HA 0.009 4.485 4.480 -0.006 0.000 0.264 225 M C 0.083 176.315 176.300 -0.113 0.000 1.073 225 M CA 0.453 55.708 55.300 -0.075 0.000 1.111 225 M CB -0.919 31.679 32.600 -0.004 0.000 1.401 225 M HN -0.032 nan 8.290 nan 0.000 0.448 226 N N 2.099 120.663 118.700 -0.225 0.000 2.468 226 N HA 0.108 4.845 4.740 -0.006 0.000 0.265 226 N C -2.478 172.868 175.510 -0.273 0.000 1.199 226 N CA -0.730 52.185 53.050 -0.225 0.000 0.928 226 N CB -0.093 38.210 38.487 -0.306 0.000 1.059 226 N HN 0.014 nan 8.380 nan 0.000 0.467 227 P HA -0.026 nan 4.420 nan 0.000 0.262 227 P C -0.642 176.541 177.300 -0.193 0.000 1.182 227 P CA 0.418 63.395 63.100 -0.206 0.000 0.761 227 P CB 0.270 31.779 31.700 -0.319 0.000 0.795 228 K N 0.862 121.217 120.400 -0.074 0.000 2.572 228 K HA 0.708 5.024 4.320 -0.006 0.000 0.263 228 K C -2.201 174.508 176.600 0.181 0.000 0.932 228 K CA -1.027 55.269 56.287 0.015 0.000 0.838 228 K CB 1.752 34.233 32.500 -0.031 0.000 1.366 228 K HN 0.193 nan 8.250 nan 0.000 0.425 229 V N 2.909 123.009 119.914 0.310 0.000 2.971 229 V HA 0.589 4.706 4.120 -0.006 0.000 0.309 229 V C -2.163 174.051 176.094 0.200 0.000 1.130 229 V CA -0.584 61.853 62.300 0.228 0.000 0.964 229 V CB 2.081 34.008 31.823 0.174 0.000 1.029 229 V HN 0.805 nan 8.190 nan 0.000 0.427 230 Y N 5.525 125.735 120.300 -0.150 0.000 2.361 230 Y HA 0.512 5.059 4.550 -0.006 0.000 0.337 230 Y C 0.416 176.145 175.900 -0.286 0.000 0.965 230 Y CA -0.827 56.984 58.100 -0.482 0.000 1.091 230 Y CB 1.349 39.258 38.460 -0.918 0.000 1.182 230 Y HN 0.826 nan 8.280 nan 0.000 0.450 231 N N 4.835 123.135 118.700 -0.667 0.000 2.688 231 N HA -0.144 4.592 4.740 -0.006 0.000 0.258 231 N C -2.750 172.625 175.510 -0.224 0.000 1.016 231 N CA 0.798 53.559 53.050 -0.481 0.000 0.747 231 N CB -0.825 37.254 38.487 -0.680 0.000 0.895 231 N HN 0.513 nan 8.380 nan 0.000 0.543 232 P HA -0.060 nan 4.420 nan 0.000 0.266 232 P C 0.742 177.980 177.300 -0.103 0.000 1.193 232 P CA 0.172 63.210 63.100 -0.104 0.000 0.770 232 P CB 0.705 32.334 31.700 -0.117 0.000 0.836 233 Q N 1.490 121.240 119.800 -0.083 0.000 2.181 233 Q HA -0.168 4.168 4.340 -0.006 0.000 0.205 233 Q C 2.208 178.169 176.000 -0.066 0.000 0.980 233 Q CA 2.128 57.892 55.803 -0.065 0.000 0.862 233 Q CB -0.514 28.195 28.738 -0.049 0.000 0.905 233 Q HN 0.664 nan 8.270 nan 0.000 0.429 234 S N -0.571 115.064 115.700 -0.108 0.000 2.399 234 S HA -0.064 4.403 4.470 -0.006 0.000 0.231 234 S C 1.699 176.283 174.600 -0.027 0.000 1.022 234 S CA 0.992 59.124 58.200 -0.113 0.000 0.983 234 S CB -0.298 62.691 63.200 -0.352 0.000 0.803 234 S HN 0.610 nan 8.310 nan 0.000 0.480 235 G N -0.033 108.742 108.800 -0.042 0.000 2.176 235 G HA2 -0.176 3.781 3.960 -0.006 0.000 0.232 235 G HA3 -0.176 3.781 3.960 -0.006 0.000 0.232 235 G C -0.083 174.909 174.900 0.152 0.000 0.986 235 G CA 0.349 45.479 45.100 0.050 0.000 0.643 235 G HN 1.408 nan 8.290 nan 0.000 0.522 236 Y N -1.687 118.617 120.300 0.006 0.000 2.656 236 Y HA 0.774 5.320 4.550 -0.006 0.000 0.334 236 Y C -1.075 174.852 175.900 0.046 0.000 1.179 236 Y CA -2.331 55.790 58.100 0.035 0.000 1.050 236 Y CB 0.961 39.439 38.460 0.031 0.000 1.308 236 Y HN 0.181 nan 8.280 nan 0.000 0.456 237 I N 2.645 123.345 120.570 0.216 0.000 2.447 237 I HA 0.793 4.960 4.170 -0.006 0.000 0.287 237 I C -0.679 175.603 176.117 0.275 0.000 1.023 237 I CA -0.946 60.441 61.300 0.144 0.000 1.083 237 I CB 1.862 39.997 38.000 0.225 0.000 1.245 237 I HN 0.898 nan 8.210 nan 0.000 0.434 238 A N 6.067 129.027 122.820 0.234 0.000 2.386 238 A HA 0.802 5.118 4.320 -0.006 0.000 0.311 238 A C -1.053 176.620 177.584 0.149 0.000 1.068 238 A CA -0.569 51.611 52.037 0.240 0.000 0.743 238 A CB 1.738 20.917 19.000 0.299 0.000 1.258 238 A HN 0.712 nan 8.150 nan 0.000 0.429 239 N N 0.967 119.770 118.700 0.172 0.000 2.405 239 N HA 0.314 5.051 4.740 -0.006 0.000 0.274 239 N C -2.013 173.688 175.510 0.318 0.000 1.170 239 N CA -0.191 52.990 53.050 0.219 0.000 0.848 239 N CB 1.910 40.577 38.487 0.300 0.000 1.629 239 N HN 0.708 nan 8.380 nan 0.000 0.481 240 W N 3.446 124.837 121.300 0.152 0.000 0.903 240 W HA 0.337 4.994 4.660 -0.006 0.000 0.284 240 W C -0.483 176.165 176.519 0.214 0.000 0.850 240 W CA -0.550 56.890 57.345 0.159 0.000 1.925 240 W CB -1.316 28.210 29.460 0.110 0.000 1.309 240 W HN 0.850 nan 8.180 nan 0.000 0.480 241 N N 1.327 120.344 118.700 0.528 0.000 2.829 241 N HA -0.240 4.496 4.740 -0.006 0.000 0.250 241 N C 0.182 176.046 175.510 0.591 0.000 1.090 241 N CA 1.033 54.448 53.050 0.608 0.000 0.781 241 N CB -1.069 37.811 38.487 0.654 0.000 1.124 241 N HN 0.368 nan 8.380 nan 0.000 0.559 242 N N -0.161 118.693 118.700 0.257 0.000 2.405 242 N HA 0.198 4.935 4.740 -0.006 0.000 0.269 242 N C -0.015 175.047 175.510 -0.748 0.000 1.249 242 N CA -0.393 52.570 53.050 -0.145 0.000 0.974 242 N CB 0.806 39.229 38.487 -0.107 0.000 1.204 242 N HN 0.049 nan 8.380 nan 0.000 0.565 243 S N -0.253 114.584 115.700 -1.438 0.000 2.549 243 S HA 0.103 4.570 4.470 -0.006 0.000 0.286 243 S C -1.394 172.807 174.600 -0.664 0.000 1.314 243 S CA -1.081 56.178 58.200 -1.567 0.000 1.062 243 S CB 0.194 62.849 63.200 -0.909 0.000 0.865 243 S HN 0.439 nan 8.310 nan 0.000 0.498 244 P HA -0.016 nan 4.420 nan 0.000 0.216 244 P C 0.060 177.251 177.300 -0.183 0.000 1.153 244 P CA 1.012 63.957 63.100 -0.258 0.000 0.848 244 P CB 0.136 31.558 31.700 -0.463 0.000 0.787 245 Q N -1.955 117.722 119.800 -0.205 0.000 2.522 245 Q HA 0.275 4.612 4.340 -0.006 0.000 0.285 245 Q C -1.079 174.912 176.000 -0.015 0.000 0.982 245 Q CA -0.955 54.794 55.803 -0.089 0.000 0.805 245 Q CB 1.851 30.533 28.738 -0.093 0.000 1.457 245 Q HN -0.271 nan 8.270 nan 0.000 0.394 246 K N 1.767 122.167 120.400 0.001 0.000 2.472 246 K HA -0.062 4.255 4.320 -0.006 0.000 0.280 246 K C -0.783 175.857 176.600 0.066 0.000 1.028 246 K CA 1.156 57.461 56.287 0.030 0.000 1.045 246 K CB 0.212 32.724 32.500 0.019 0.000 0.902 246 K HN 0.635 nan 8.250 nan 0.000 0.478 247 D N 1.497 121.950 120.400 0.088 0.000 2.981 247 D HA -0.251 4.386 4.640 -0.006 0.000 0.203 247 D C -0.880 175.493 176.300 0.123 0.000 1.049 247 D CA 0.855 54.910 54.000 0.092 0.000 1.003 247 D CB -1.503 39.334 40.800 0.062 0.000 1.085 247 D HN 0.560 nan 8.370 nan 0.000 0.432 248 Y N 2.419 122.738 120.300 0.031 0.000 2.359 248 Y HA 0.402 4.948 4.550 -0.006 0.000 0.334 248 Y C -1.892 174.121 175.900 0.189 0.000 1.058 248 Y CA -1.452 56.672 58.100 0.040 0.000 1.244 248 Y CB 0.896 39.320 38.460 -0.060 0.000 1.187 248 Y HN -0.167 nan 8.280 nan 0.000 0.510 249 P HA 0.349 nan 4.420 nan 0.000 0.284 249 P C -1.186 176.062 177.300 -0.086 0.000 1.253 249 P CA -0.371 62.645 63.100 -0.140 0.000 0.800 249 P CB 1.402 32.983 31.700 -0.198 0.000 0.961 250 A N 2.229 125.026 122.820 -0.039 0.000 2.252 250 A HA 0.452 4.768 4.320 -0.006 0.000 0.305 250 A C 0.649 178.127 177.584 -0.175 0.000 1.097 250 A CA -0.458 51.363 52.037 -0.361 0.000 0.849 250 A CB -0.107 18.416 19.000 -0.795 0.000 1.142 250 A HN 0.577 nan 8.150 nan 0.000 0.499 251 S N -0.882 114.712 115.700 -0.177 0.000 2.536 251 S HA -0.074 4.393 4.470 -0.006 0.000 0.290 251 S C 0.812 175.374 174.600 -0.062 0.000 1.302 251 S CA 0.750 58.897 58.200 -0.087 0.000 1.037 251 S CB -0.028 63.049 63.200 -0.205 0.000 0.804 251 S HN 0.770 nan 8.310 nan 0.000 0.506 252 D N 2.574 122.962 120.400 -0.020 0.000 2.352 252 D HA 0.062 4.698 4.640 -0.006 0.000 0.232 252 D C 0.369 176.662 176.300 -0.013 0.000 1.055 252 D CA 0.093 54.093 54.000 -0.001 0.000 0.891 252 D CB -0.497 40.317 40.800 0.024 0.000 0.897 252 D HN 0.425 nan 8.370 nan 0.000 0.529 253 L N 1.049 122.231 121.223 -0.068 0.000 2.490 253 L HA 0.042 4.378 4.340 -0.006 0.000 0.274 253 L C 1.289 178.074 176.870 -0.142 0.000 1.201 253 L CA -0.676 54.060 54.840 -0.174 0.000 0.869 253 L CB 0.251 42.172 42.059 -0.230 0.000 1.123 253 L HN 0.091 nan 8.230 nan 0.000 0.484 254 F N 1.672 121.549 119.950 -0.123 0.000 2.293 254 F HA 0.000 4.524 4.527 -0.006 0.000 0.300 254 F C 1.872 177.621 175.800 -0.085 0.000 1.086 254 F CA 0.738 58.683 58.000 -0.092 0.000 1.375 254 F CB -0.680 38.201 39.000 -0.198 0.000 1.045 254 F HN 0.405 nan 8.300 nan 0.000 0.516 255 A N -0.802 121.721 122.820 -0.495 0.000 2.259 255 A HA 0.187 4.504 4.320 -0.006 0.000 0.208 255 A C -0.032 177.490 177.584 -0.104 0.000 1.201 255 A CA -0.086 51.815 52.037 -0.227 0.000 0.824 255 A CB -1.169 17.568 19.000 -0.439 0.000 0.838 255 A HN 0.414 nan 8.150 nan 0.000 0.485 256 F N 0.020 119.817 119.950 -0.255 0.000 2.493 256 F HA 0.689 5.212 4.527 -0.006 0.000 0.329 256 F C -0.877 174.754 175.800 -0.282 0.000 1.126 256 F CA -1.046 56.765 58.000 -0.316 0.000 0.937 256 F CB 1.159 39.902 39.000 -0.429 0.000 1.146 256 F HN -0.058 nan 8.300 nan 0.000 0.442 257 L N 4.725 125.562 121.223 -0.644 0.000 2.424 257 L HA 0.417 4.753 4.340 -0.006 0.000 0.258 257 L C -1.604 174.969 176.870 -0.495 0.000 0.995 257 L CA -0.810 53.786 54.840 -0.407 0.000 0.821 257 L CB 2.349 44.329 42.059 -0.132 0.000 1.383 257 L HN 0.529 nan 8.230 nan 0.000 0.410 258 W N 1.910 123.115 121.300 -0.160 0.000 2.296 258 W HA 0.678 5.334 4.660 -0.006 0.000 0.316 258 W C 0.217 176.709 176.519 -0.045 0.000 1.022 258 W CA -0.959 56.321 57.345 -0.107 0.000 1.324 258 W CB 1.461 30.926 29.460 0.009 0.000 1.227 258 W HN 0.540 nan 8.180 nan 0.000 0.409 259 G N 0.269 109.158 108.800 0.148 0.000 3.105 259 G HA2 0.474 4.431 3.960 -0.006 0.000 0.277 259 G HA3 0.474 4.431 3.960 -0.006 0.000 0.277 259 G C 0.729 175.674 174.900 0.076 0.000 1.375 259 G CA -0.142 45.023 45.100 0.109 0.000 0.962 259 G HN 0.394 nan 8.290 nan 0.000 0.541 260 G N -0.302 108.566 108.800 0.114 0.000 2.422 260 G HA2 0.269 4.225 3.960 -0.006 0.000 0.218 260 G HA3 0.269 4.225 3.960 -0.006 0.000 0.218 260 G C 0.949 175.781 174.900 -0.112 0.000 1.146 260 G CA 1.532 46.701 45.100 0.116 0.000 0.769 260 G HN 1.178 nan 8.290 nan 0.000 0.547 261 A N 0.416 123.055 122.820 -0.302 0.000 2.310 261 A HA 0.535 4.851 4.320 -0.006 0.000 0.300 261 A C -0.690 176.739 177.584 -0.259 0.000 1.269 261 A CA -0.358 51.347 52.037 -0.554 0.000 0.909 261 A CB 0.369 18.974 19.000 -0.658 0.000 1.144 261 A HN 0.218 nan 8.150 nan 0.000 0.540 262 D N 2.086 122.353 120.400 -0.221 0.000 2.934 262 D HA 0.176 4.813 4.640 -0.006 0.000 0.230 262 D C 0.958 177.160 176.300 -0.165 0.000 1.204 262 D CA -0.490 53.421 54.000 -0.149 0.000 0.873 262 D CB 1.359 42.113 40.800 -0.076 0.000 1.645 262 D HN 0.622 nan 8.370 nan 0.000 0.502 263 R N 1.786 122.154 120.500 -0.219 0.000 2.285 263 R HA -0.030 4.306 4.340 -0.006 0.000 0.213 263 R C 1.591 177.877 176.300 -0.024 0.000 1.068 263 R CA 0.486 56.428 56.100 -0.264 0.000 1.004 263 R CB -0.305 29.580 30.300 -0.691 0.000 0.873 263 R HN 0.195 nan 8.270 nan 0.000 0.467 264 V N 1.715 121.671 119.914 0.069 0.000 2.759 264 V HA -0.173 3.944 4.120 -0.006 0.000 0.256 264 V C 1.451 177.610 176.094 0.108 0.000 1.080 264 V CA 2.208 64.635 62.300 0.212 0.000 1.101 264 V CB -0.354 31.573 31.823 0.173 0.000 0.698 264 V HN 0.472 nan 8.190 nan 0.000 0.477 265 T N 0.108 114.675 114.554 0.022 0.000 2.803 265 T HA -0.164 4.182 4.350 -0.006 0.000 0.269 265 T C 1.727 176.410 174.700 -0.027 0.000 1.052 265 T CA 1.545 63.635 62.100 -0.016 0.000 1.136 265 T CB -0.264 68.569 68.868 -0.059 0.000 0.864 265 T HN 0.531 nan 8.240 nan 0.000 0.467 266 E N 0.789 120.988 120.200 -0.000 0.000 2.110 266 E HA -0.012 4.334 4.350 -0.006 0.000 0.193 266 E C 2.162 178.717 176.600 -0.076 0.000 0.988 266 E CA 0.768 57.157 56.400 -0.017 0.000 0.804 266 E CB -0.291 29.454 29.700 0.076 0.000 0.745 266 E HN 0.547 nan 8.360 nan 0.000 0.458 267 I N 1.188 121.725 120.570 -0.055 0.000 2.277 267 I HA -0.195 3.972 4.170 -0.006 0.000 0.243 267 I C 1.843 177.810 176.117 -0.251 0.000 1.094 267 I CA 0.745 61.894 61.300 -0.251 0.000 1.393 267 I CB -0.176 37.698 38.000 -0.209 0.000 1.078 267 I HN -0.087 nan 8.210 nan 0.000 0.417 268 D N 1.451 121.790 120.400 -0.101 0.000 2.133 268 D HA -0.210 4.426 4.640 -0.006 0.000 0.192 268 D C 2.233 178.447 176.300 -0.145 0.000 1.001 268 D CA 1.505 55.460 54.000 -0.075 0.000 0.844 268 D CB -0.330 40.493 40.800 0.038 0.000 0.944 268 D HN 0.415 nan 8.370 nan 0.000 0.447 269 R N 0.594 121.017 120.500 -0.129 0.000 2.083 269 R HA -0.075 4.262 4.340 -0.006 0.000 0.237 269 R C 2.678 178.865 176.300 -0.189 0.000 1.137 269 R CA 0.945 56.965 56.100 -0.133 0.000 0.951 269 R CB -0.757 29.471 30.300 -0.120 0.000 0.851 269 R HN 0.221 nan 8.270 nan 0.000 0.434 270 L N 0.945 122.020 121.223 -0.248 0.000 2.093 270 L HA -0.097 4.239 4.340 -0.006 0.000 0.208 270 L C 2.405 179.077 176.870 -0.331 0.000 1.085 270 L CA 1.048 55.713 54.840 -0.291 0.000 0.755 270 L CB -0.446 41.400 42.059 -0.356 0.000 0.904 270 L HN 0.157 nan 8.230 nan 0.000 0.435 271 L N -0.744 120.225 121.223 -0.424 0.000 2.240 271 L HA -0.102 4.234 4.340 -0.006 0.000 0.211 271 L C 2.170 178.801 176.870 -0.398 0.000 1.106 271 L CA 0.893 55.424 54.840 -0.516 0.000 0.793 271 L CB -0.348 41.175 42.059 -0.894 0.000 0.927 271 L HN 0.283 nan 8.230 nan 0.000 0.446 272 E N -0.335 119.698 120.200 -0.278 0.000 2.371 272 E HA -0.151 4.195 4.350 -0.006 0.000 0.194 272 E C 2.018 178.551 176.600 -0.112 0.000 1.012 272 E CA 0.112 56.430 56.400 -0.138 0.000 0.860 272 E CB 0.206 29.873 29.700 -0.056 0.000 0.811 272 E HN 0.437 nan 8.360 nan 0.000 0.502 273 Q N 0.661 120.378 119.800 -0.137 0.000 2.170 273 Q HA -0.067 4.270 4.340 -0.006 0.000 0.203 273 Q C 0.183 176.125 176.000 -0.097 0.000 0.976 273 Q CA 1.092 56.827 55.803 -0.113 0.000 0.858 273 Q CB 0.326 28.985 28.738 -0.132 0.000 0.907 273 Q HN -0.062 nan 8.270 nan 0.000 0.433 274 K N -0.745 119.590 120.400 -0.108 0.000 2.270 274 K HA 0.193 4.510 4.320 -0.006 0.000 0.255 274 K C -2.104 174.453 176.600 -0.071 0.000 0.936 274 K CA -2.006 54.231 56.287 -0.084 0.000 0.809 274 K CB 1.743 34.189 32.500 -0.091 0.000 1.131 274 K HN -0.193 nan 8.250 nan 0.000 0.427 275 P HA -0.099 nan 4.420 nan 0.000 0.215 275 P C -0.399 176.885 177.300 -0.027 0.000 1.157 275 P CA 1.217 64.299 63.100 -0.030 0.000 0.863 275 P CB 0.384 32.071 31.700 -0.022 0.000 0.787 276 R N -1.372 119.110 120.500 -0.031 0.000 2.837 276 R HA 0.659 4.996 4.340 -0.006 0.000 0.271 276 R C -1.061 175.218 176.300 -0.035 0.000 0.993 276 R CA -0.968 55.118 56.100 -0.023 0.000 0.931 276 R CB 1.520 31.814 30.300 -0.010 0.000 1.206 276 R HN -0.115 nan 8.270 nan 0.000 0.474 277 L N 0.386 121.593 121.223 -0.027 0.000 2.354 277 L HA 0.463 4.800 4.340 -0.006 0.000 0.269 277 L C 0.400 177.266 176.870 -0.007 0.000 1.005 277 L CA -0.491 54.331 54.840 -0.029 0.000 0.819 277 L CB 2.186 44.221 42.059 -0.039 0.000 1.311 277 L HN 0.774 nan 8.230 nan 0.000 0.423 278 T N -1.270 113.278 114.554 -0.010 0.000 2.862 278 T HA 0.558 4.905 4.350 -0.006 0.000 0.276 278 T C 1.220 175.924 174.700 0.006 0.000 0.974 278 T CA -0.061 62.037 62.100 -0.003 0.000 0.966 278 T CB 1.336 70.194 68.868 -0.016 0.000 1.072 278 T HN 0.613 nan 8.240 nan 0.000 0.538 279 A N 0.686 123.507 122.820 0.001 0.000 1.908 279 A HA -0.105 4.211 4.320 -0.006 0.000 0.218 279 A C 2.040 179.605 177.584 -0.031 0.000 1.181 279 A CA 1.834 53.864 52.037 -0.012 0.000 0.627 279 A CB -1.146 17.823 19.000 -0.051 0.000 0.818 279 A HN 0.910 nan 8.150 nan 0.000 0.445 280 D N -0.470 119.889 120.400 -0.069 0.000 2.144 280 D HA -0.146 4.491 4.640 -0.006 0.000 0.199 280 D C 2.219 178.525 176.300 0.011 0.000 0.984 280 D CA 1.521 55.485 54.000 -0.060 0.000 0.834 280 D CB -0.339 40.409 40.800 -0.087 0.000 0.955 280 D HN 0.676 nan 8.370 nan 0.000 0.465 281 Q N 0.254 120.050 119.800 -0.006 0.000 2.123 281 Q HA 0.036 4.373 4.340 -0.006 0.000 0.199 281 Q C 2.233 178.236 176.000 0.005 0.000 0.966 281 Q CA 1.092 56.882 55.803 -0.022 0.000 0.845 281 Q CB -0.039 28.669 28.738 -0.049 0.000 0.907 281 Q HN 0.181 nan 8.270 nan 0.000 0.439 282 A N 1.109 123.972 122.820 0.072 0.000 1.933 282 A HA -0.190 4.127 4.320 -0.006 0.000 0.218 282 A C 1.736 179.508 177.584 0.313 0.000 1.175 282 A CA 0.975 53.133 52.037 0.201 0.000 0.628 282 A CB -0.982 18.159 19.000 0.236 0.000 0.814 282 A HN 0.678 nan 8.150 nan 0.000 0.444 283 W N 0.774 122.086 121.300 0.019 0.000 2.381 283 W HA -0.155 4.501 4.660 -0.006 0.000 0.301 283 W C 1.367 177.872 176.519 -0.024 0.000 1.205 283 W CA 1.921 59.254 57.345 -0.021 0.000 1.285 283 W CB -0.329 29.035 29.460 -0.161 0.000 1.133 283 W HN 0.497 nan 8.180 nan 0.000 0.521 284 D N 0.207 120.627 120.400 0.032 0.000 2.221 284 D HA -0.179 4.458 4.640 -0.006 0.000 0.204 284 D C 2.134 178.291 176.300 -0.239 0.000 0.982 284 D CA 1.246 55.169 54.000 -0.127 0.000 0.857 284 D CB -0.100 40.646 40.800 -0.090 0.000 0.934 284 D HN -0.064 nan 8.370 nan 0.000 0.475 285 V N 0.441 120.222 119.914 -0.222 0.000 2.568 285 V HA -0.239 3.877 4.120 -0.006 0.000 0.253 285 V C 2.339 178.240 176.094 -0.322 0.000 1.072 285 V CA 1.115 63.178 62.300 -0.394 0.000 1.084 285 V CB -0.412 30.930 31.823 -0.801 0.000 0.676 285 V HN 0.338 nan 8.190 nan 0.000 0.469 286 I N -0.149 120.322 120.570 -0.166 0.000 2.179 286 I HA -0.263 3.904 4.170 -0.006 0.000 0.242 286 I C 2.724 178.658 176.117 -0.306 0.000 1.088 286 I CA 1.953 63.138 61.300 -0.192 0.000 1.357 286 I CB -0.460 37.276 38.000 -0.439 0.000 1.051 286 I HN 0.221 nan 8.210 nan 0.000 0.409 287 R N 1.037 121.206 120.500 -0.552 0.000 2.066 287 R HA -0.202 4.134 4.340 -0.006 0.000 0.232 287 R C 2.315 178.347 176.300 -0.447 0.000 1.131 287 R CA 1.634 57.216 56.100 -0.862 0.000 0.955 287 R CB -0.139 29.453 30.300 -1.180 0.000 0.851 287 R HN 0.429 nan 8.270 nan 0.000 0.432 288 Q N -0.230 119.364 119.800 -0.344 0.000 2.050 288 Q HA -0.141 4.195 4.340 -0.006 0.000 0.202 288 Q C 2.166 178.058 176.000 -0.180 0.000 0.980 288 Q CA 2.268 57.922 55.803 -0.248 0.000 0.840 288 Q CB -0.311 28.278 28.738 -0.249 0.000 0.898 288 Q HN 0.529 nan 8.270 nan 0.000 0.424 289 T N -1.639 112.801 114.554 -0.190 0.000 2.867 289 T HA -0.079 4.268 4.350 -0.006 0.000 0.268 289 T C 2.096 176.829 174.700 0.054 0.000 1.057 289 T CA 1.295 63.352 62.100 -0.071 0.000 1.136 289 T CB -0.312 68.439 68.868 -0.195 0.000 0.874 289 T HN 0.043 nan 8.240 nan 0.000 0.466 290 S N 1.381 117.085 115.700 0.007 0.000 2.387 290 S HA -0.040 4.426 4.470 -0.006 0.000 0.230 290 S C 2.076 176.748 174.600 0.121 0.000 1.035 290 S CA 1.135 59.390 58.200 0.091 0.000 1.014 290 S CB -0.256 63.014 63.200 0.117 0.000 0.836 290 S HN 0.572 nan 8.310 nan 0.000 0.466 291 R N 0.112 120.642 120.500 0.050 0.000 2.362 291 R HA 0.208 4.544 4.340 -0.006 0.000 0.227 291 R C 0.248 176.530 176.300 -0.030 0.000 0.905 291 R CA -0.097 56.026 56.100 0.040 0.000 1.067 291 R CB 0.244 30.540 30.300 -0.007 0.000 1.078 291 R HN 0.181 nan 8.270 nan 0.000 0.516 292 Q N 1.991 121.775 119.800 -0.026 0.000 2.295 292 Q HA -0.008 4.329 4.340 -0.006 0.000 0.259 292 Q C -0.724 175.230 176.000 -0.075 0.000 0.976 292 Q CA -0.026 55.719 55.803 -0.098 0.000 0.923 292 Q CB 0.814 29.508 28.738 -0.073 0.000 1.185 292 Q HN 0.002 nan 8.270 nan 0.000 0.410 293 D N 4.137 124.443 120.400 -0.156 0.000 2.458 293 D HA -0.052 4.585 4.640 -0.006 0.000 0.243 293 D C 0.243 176.506 176.300 -0.061 0.000 1.146 293 D CA 0.236 54.210 54.000 -0.044 0.000 0.877 293 D CB 0.856 41.667 40.800 0.019 0.000 1.176 293 D HN 0.772 nan 8.370 nan 0.000 0.461 294 L N 3.380 124.579 121.223 -0.040 0.000 2.509 294 L HA 0.028 4.364 4.340 -0.006 0.000 0.222 294 L C 1.538 178.394 176.870 -0.024 0.000 1.123 294 L CA 0.325 55.117 54.840 -0.081 0.000 0.856 294 L CB -0.177 41.790 42.059 -0.152 0.000 0.985 294 L HN 0.367 nan 8.230 nan 0.000 0.456 295 N N -0.595 118.168 118.700 0.106 0.000 2.388 295 N HA -0.034 4.703 4.740 -0.006 0.000 0.176 295 N C 1.604 177.272 175.510 0.264 0.000 1.062 295 N CA -0.077 53.131 53.050 0.264 0.000 0.895 295 N CB 0.273 39.050 38.487 0.483 0.000 1.018 295 N HN 0.045 nan 8.380 nan 0.000 0.456 296 L N 1.963 123.283 121.223 0.162 0.000 1.990 296 L HA -0.159 4.178 4.340 -0.006 0.000 0.213 296 L C 2.261 179.154 176.870 0.039 0.000 1.072 296 L CA 1.781 56.687 54.840 0.110 0.000 0.755 296 L CB -0.445 41.584 42.059 -0.050 0.000 0.889 296 L HN 0.077 nan 8.230 nan 0.000 0.432 297 R N -0.792 119.681 120.500 -0.046 0.000 2.096 297 R HA -0.200 4.136 4.340 -0.006 0.000 0.240 297 R C 2.294 178.542 176.300 -0.088 0.000 1.139 297 R CA 2.215 58.268 56.100 -0.079 0.000 0.952 297 R CB -0.395 29.835 30.300 -0.117 0.000 0.854 297 R HN 0.486 nan 8.270 nan 0.000 0.436 298 L N -1.030 120.089 121.223 -0.173 0.000 2.056 298 L HA -0.111 4.226 4.340 -0.006 0.000 0.207 298 L C 1.430 178.095 176.870 -0.342 0.000 1.078 298 L CA 1.266 55.871 54.840 -0.391 0.000 0.749 298 L CB -0.156 41.402 42.059 -0.835 0.000 0.901 298 L HN 0.191 nan 8.230 nan 0.000 0.433 299 F N -2.160 117.902 119.950 0.188 0.000 2.706 299 F HA 0.128 4.652 4.527 -0.006 0.000 0.313 299 F C 1.591 177.397 175.800 0.010 0.000 1.096 299 F CA -0.312 57.798 58.000 0.183 0.000 1.219 299 F CB -0.003 39.184 39.000 0.312 0.000 1.051 299 F HN -0.148 nan 8.300 nan 0.000 0.568 300 L N 2.327 123.621 121.223 0.118 0.000 2.017 300 L HA 0.021 4.358 4.340 -0.006 0.000 0.208 300 L C -0.693 176.188 176.870 0.019 0.000 1.073 300 L CA 2.130 56.991 54.840 0.035 0.000 0.745 300 L CB -1.519 40.554 42.059 0.023 0.000 0.894 300 L HN -0.132 nan 8.230 nan 0.000 0.432 301 P HA -0.143 nan 4.420 nan 0.000 0.216 301 P C 1.578 178.901 177.300 0.038 0.000 1.150 301 P CA 1.888 65.004 63.100 0.026 0.000 0.843 301 P CB -0.230 31.487 31.700 0.028 0.000 0.787 302 T N -0.350 114.255 114.554 0.085 0.000 2.777 302 T HA -0.071 4.275 4.350 -0.006 0.000 0.266 302 T C 1.753 176.487 174.700 0.056 0.000 1.040 302 T CA 1.094 63.264 62.100 0.116 0.000 1.141 302 T CB -0.874 68.162 68.868 0.280 0.000 0.868 302 T HN 0.054 nan 8.240 nan 0.000 0.444 303 L N 0.617 121.824 121.223 -0.027 0.000 2.056 303 L HA -0.118 4.218 4.340 -0.006 0.000 0.207 303 L C 2.882 179.712 176.870 -0.068 0.000 1.078 303 L CA 1.368 56.131 54.840 -0.127 0.000 0.749 303 L CB -0.564 41.317 42.059 -0.297 0.000 0.901 303 L HN 0.273 nan 8.230 nan 0.000 0.433 304 Q N -0.279 119.495 119.800 -0.043 0.000 2.079 304 Q HA -0.165 4.171 4.340 -0.006 0.000 0.200 304 Q C 2.484 178.470 176.000 -0.023 0.000 0.974 304 Q CA 1.544 57.327 55.803 -0.033 0.000 0.840 304 Q CB -0.269 28.455 28.738 -0.024 0.000 0.898 304 Q HN 0.560 nan 8.270 nan 0.000 0.430 305 A N 1.098 123.911 122.820 -0.012 0.000 1.902 305 A HA -0.123 4.193 4.320 -0.006 0.000 0.217 305 A C 2.289 179.867 177.584 -0.011 0.000 1.181 305 A CA 1.606 53.636 52.037 -0.010 0.000 0.623 305 A CB -0.809 18.188 19.000 -0.005 0.000 0.818 305 A HN 0.398 nan 8.150 nan 0.000 0.443 306 A N -0.493 122.325 122.820 -0.002 0.000 1.972 306 A HA -0.055 4.261 4.320 -0.006 0.000 0.219 306 A C 2.203 179.783 177.584 -0.008 0.000 1.169 306 A CA 2.271 54.310 52.037 0.003 0.000 0.635 306 A CB -0.989 18.032 19.000 0.034 0.000 0.810 306 A HN 0.795 nan 8.150 nan 0.000 0.446 307 T N -2.609 111.932 114.554 -0.021 0.000 3.069 307 T HA 0.091 4.437 4.350 -0.006 0.000 0.252 307 T C 1.691 176.371 174.700 -0.034 0.000 1.053 307 T CA 0.908 62.989 62.100 -0.031 0.000 0.964 307 T CB -0.213 68.627 68.868 -0.048 0.000 1.005 307 T HN 0.582 nan 8.240 nan 0.000 0.532 308 S N 1.664 117.347 115.700 -0.029 0.000 2.383 308 S HA 0.018 4.485 4.470 -0.006 0.000 0.229 308 S C 2.070 176.653 174.600 -0.028 0.000 1.030 308 S CA 1.062 59.245 58.200 -0.028 0.000 1.002 308 S CB -1.164 62.022 63.200 -0.024 0.000 0.829 308 S HN 0.621 nan 8.310 nan 0.000 0.467 309 G N 0.993 109.778 108.800 -0.025 0.000 3.314 309 G HA2 0.450 4.407 3.960 -0.006 0.000 0.238 309 G HA3 0.450 4.407 3.960 -0.006 0.000 0.238 309 G C 0.144 175.027 174.900 -0.028 0.000 1.184 309 G CA -0.490 44.596 45.100 -0.025 0.000 0.806 309 G HN 0.426 nan 8.290 nan 0.000 0.536 310 L N 1.282 122.484 121.223 -0.035 0.000 2.379 310 L HA 0.390 4.727 4.340 -0.006 0.000 0.269 310 L C 1.080 177.920 176.870 -0.049 0.000 1.084 310 L CA -0.743 54.071 54.840 -0.043 0.000 0.802 310 L CB 1.529 43.557 42.059 -0.052 0.000 1.175 310 L HN 0.150 nan 8.230 nan 0.000 0.448 311 T N -2.215 112.307 114.554 -0.053 0.000 2.882 311 T HA 0.036 4.383 4.350 -0.006 0.000 0.287 311 T C 0.725 175.383 174.700 -0.071 0.000 1.014 311 T CA -0.500 61.568 62.100 -0.054 0.000 1.049 311 T CB 1.410 70.248 68.868 -0.049 0.000 1.001 311 T HN 0.698 nan 8.240 nan 0.000 0.525 312 Q N 0.846 120.606 119.800 -0.067 0.000 2.234 312 Q HA -0.162 4.175 4.340 -0.006 0.000 0.206 312 Q C 1.897 177.840 176.000 -0.095 0.000 0.980 312 Q CA 1.863 57.620 55.803 -0.076 0.000 0.869 312 Q CB -0.352 28.349 28.738 -0.061 0.000 0.912 312 Q HN 0.919 nan 8.270 nan 0.000 0.436 313 S N -0.532 115.114 115.700 -0.090 0.000 2.593 313 S HA 0.015 4.481 4.470 -0.006 0.000 0.217 313 S C 0.281 174.792 174.600 -0.149 0.000 0.966 313 S CA -0.215 57.921 58.200 -0.106 0.000 0.914 313 S CB 0.235 63.391 63.200 -0.073 0.000 0.776 313 S HN 0.239 nan 8.310 nan 0.000 0.523 314 D N 3.142 123.452 120.400 -0.151 0.000 2.339 314 D HA 0.230 4.866 4.640 -0.006 0.000 0.256 314 D C -1.690 174.433 176.300 -0.296 0.000 1.214 314 D CA -2.055 51.831 54.000 -0.189 0.000 0.877 314 D CB 1.658 42.378 40.800 -0.132 0.000 1.111 314 D HN 0.025 nan 8.370 nan 0.000 0.478 315 P HA -0.146 nan 4.420 nan 0.000 0.216 315 P C 1.192 178.168 177.300 -0.540 0.000 1.150 315 P CA 1.177 63.767 63.100 -0.850 0.000 0.843 315 P CB 0.250 30.842 31.700 -1.847 0.000 0.787 316 R N -0.395 119.915 120.500 -0.316 0.000 2.103 316 R HA -0.167 4.170 4.340 -0.006 0.000 0.242 316 R C 2.544 178.774 176.300 -0.117 0.000 1.142 316 R CA 1.725 57.751 56.100 -0.123 0.000 0.960 316 R CB -0.640 29.629 30.300 -0.052 0.000 0.858 316 R HN 0.192 nan 8.270 nan 0.000 0.439 317 R N 1.015 121.428 120.500 -0.145 0.000 2.093 317 R HA -0.085 4.252 4.340 -0.006 0.000 0.224 317 R C 2.029 178.250 176.300 -0.132 0.000 1.101 317 R CA 1.205 57.234 56.100 -0.118 0.000 0.979 317 R CB 0.068 30.306 30.300 -0.105 0.000 0.877 317 R HN 0.289 nan 8.270 nan 0.000 0.441 318 Q N 0.623 120.314 119.800 -0.182 0.000 2.084 318 Q HA -0.169 4.167 4.340 -0.006 0.000 0.202 318 Q C 2.295 178.205 176.000 -0.150 0.000 0.978 318 Q CA 1.591 57.285 55.803 -0.181 0.000 0.844 318 Q CB -0.175 28.410 28.738 -0.255 0.000 0.898 318 Q HN 0.406 nan 8.270 nan 0.000 0.426 319 L N 0.260 121.410 121.223 -0.122 0.000 2.043 319 L HA -0.213 4.123 4.340 -0.006 0.000 0.212 319 L C 2.399 179.225 176.870 -0.073 0.000 1.075 319 L CA 1.032 55.838 54.840 -0.056 0.000 0.752 319 L CB -0.580 41.508 42.059 0.048 0.000 0.891 319 L HN 0.098 nan 8.230 nan 0.000 0.432 320 V N -0.505 119.358 119.914 -0.085 0.000 2.667 320 V HA -0.194 3.922 4.120 -0.006 0.000 0.252 320 V C 2.307 178.363 176.094 -0.063 0.000 1.065 320 V CA 1.436 63.686 62.300 -0.084 0.000 1.083 320 V CB -0.465 31.303 31.823 -0.092 0.000 0.692 320 V HN 0.465 nan 8.190 nan 0.000 0.468 321 E N 0.002 120.158 120.200 -0.074 0.000 2.152 321 E HA -0.140 4.207 4.350 -0.006 0.000 0.192 321 E C 2.276 178.843 176.600 -0.055 0.000 0.983 321 E CA 1.573 57.936 56.400 -0.062 0.000 0.818 321 E CB -0.271 29.385 29.700 -0.073 0.000 0.758 321 E HN 0.571 nan 8.360 nan 0.000 0.467 322 T N 2.236 116.741 114.554 -0.082 0.000 2.652 322 T HA -0.137 4.210 4.350 -0.006 0.000 0.267 322 T C 2.055 176.735 174.700 -0.032 0.000 1.039 322 T CA 0.926 62.968 62.100 -0.096 0.000 1.153 322 T CB -0.268 68.500 68.868 -0.166 0.000 0.863 322 T HN 0.098 nan 8.240 nan 0.000 0.428 323 L N 0.707 121.930 121.223 0.000 0.000 2.079 323 L HA -0.122 4.214 4.340 -0.006 0.000 0.210 323 L C 2.820 179.775 176.870 0.142 0.000 1.081 323 L CA 1.186 56.100 54.840 0.124 0.000 0.752 323 L CB -1.090 41.023 42.059 0.091 0.000 0.896 323 L HN 0.294 nan 8.230 nan 0.000 0.433 324 T N -0.928 113.660 114.554 0.056 0.000 2.951 324 T HA -0.084 4.263 4.350 -0.006 0.000 0.268 324 T C 1.953 176.684 174.700 0.051 0.000 1.073 324 T CA 0.855 62.979 62.100 0.039 0.000 1.134 324 T CB -0.085 68.783 68.868 0.001 0.000 0.884 324 T HN 0.292 nan 8.240 nan 0.000 0.479 325 R N -0.791 119.746 120.500 0.062 0.000 2.240 325 R HA 0.054 4.390 4.340 -0.006 0.000 0.203 325 R C 0.331 176.721 176.300 0.149 0.000 1.011 325 R CA 0.055 56.195 56.100 0.066 0.000 1.007 325 R CB 0.138 30.456 30.300 0.030 0.000 0.911 325 R HN 0.295 nan 8.270 nan 0.000 0.468 326 W N 2.616 123.886 121.300 -0.050 0.000 2.316 326 W HA 0.053 4.710 4.660 -0.006 0.000 0.321 326 W C 0.191 176.679 176.519 -0.051 0.000 1.203 326 W CA -1.419 55.895 57.345 -0.051 0.000 1.214 326 W CB 0.884 30.313 29.460 -0.051 0.000 1.169 326 W HN 0.076 nan 8.180 nan 0.000 0.561 327 D N 1.438 121.708 120.400 -0.217 0.000 2.339 327 D HA 0.162 4.799 4.640 -0.006 0.000 0.217 327 D C 1.606 177.442 176.300 -0.773 0.000 1.050 327 D CA 0.514 54.294 54.000 -0.367 0.000 0.856 327 D CB -0.163 40.498 40.800 -0.232 0.000 0.922 327 D HN 0.692 nan 8.370 nan 0.000 0.518 328 G N 0.205 107.917 108.800 -1.814 0.000 2.179 328 G HA2 -0.246 3.711 3.960 -0.006 0.000 0.260 328 G HA3 -0.246 3.711 3.960 -0.006 0.000 0.260 328 G C -0.030 174.212 174.900 -1.096 0.000 0.977 328 G CA 0.086 43.897 45.100 -2.149 0.000 0.641 328 G HN 0.332 nan 8.290 nan 0.000 0.533 329 I N 1.784 121.974 120.570 -0.635 0.000 2.379 329 I HA 0.215 4.382 4.170 -0.006 0.000 0.290 329 I C 0.255 176.336 176.117 -0.059 0.000 1.063 329 I CA -0.955 60.193 61.300 -0.254 0.000 1.351 329 I CB 0.336 38.235 38.000 -0.168 0.000 1.410 329 I HN 0.032 nan 8.210 nan 0.000 0.505 330 N N 7.474 126.103 118.700 -0.117 0.000 2.514 330 N HA 0.467 5.203 4.740 -0.006 0.000 0.277 330 N C -0.608 174.857 175.510 -0.075 0.000 1.126 330 N CA -0.182 52.700 53.050 -0.279 0.000 0.978 330 N CB 1.744 39.628 38.487 -1.005 0.000 1.106 330 N HN 0.432 nan 8.380 nan 0.000 0.461 331 L N 2.292 123.550 121.223 0.059 0.000 2.436 331 L HA 0.433 4.770 4.340 -0.006 0.000 0.268 331 L C -0.079 177.011 176.870 0.366 0.000 0.974 331 L CA -0.714 54.248 54.840 0.203 0.000 0.826 331 L CB 2.151 44.292 42.059 0.136 0.000 1.291 331 L HN 0.240 nan 8.230 nan 0.000 0.406 332 L N 2.833 124.270 121.223 0.356 0.000 2.461 332 L HA 0.178 4.515 4.340 -0.006 0.000 0.272 332 L C 0.656 177.637 176.870 0.185 0.000 1.197 332 L CA -0.159 54.858 54.840 0.295 0.000 0.836 332 L CB 0.312 42.480 42.059 0.182 0.000 1.105 332 L HN 0.646 nan 8.230 nan 0.000 0.477 333 N N 0.989 119.773 118.700 0.141 0.000 2.285 333 N HA -0.021 4.716 4.740 -0.006 0.000 0.262 333 N C 0.407 175.958 175.510 0.069 0.000 1.299 333 N CA -0.401 52.704 53.050 0.091 0.000 0.930 333 N CB 0.424 38.951 38.487 0.067 0.000 1.157 333 N HN 0.511 nan 8.380 nan 0.000 0.532 334 D N 0.120 120.551 120.400 0.052 0.000 2.263 334 D HA -0.143 4.493 4.640 -0.006 0.000 0.208 334 D C 0.924 177.243 176.300 0.032 0.000 0.971 334 D CA 0.940 54.965 54.000 0.041 0.000 0.867 334 D CB -0.243 40.577 40.800 0.034 0.000 0.929 334 D HN 0.579 nan 8.370 nan 0.000 0.492 335 D N -0.202 120.214 120.400 0.027 0.000 2.348 335 D HA -0.005 4.631 4.640 -0.006 0.000 0.216 335 D C 1.612 177.918 176.300 0.009 0.000 0.970 335 D CA 0.917 54.926 54.000 0.015 0.000 0.889 335 D CB -0.607 40.198 40.800 0.008 0.000 0.912 335 D HN 0.170 nan 8.370 nan 0.000 0.524 336 G N 1.185 109.995 108.800 0.018 0.000 2.179 336 G HA2 -0.371 3.586 3.960 -0.006 0.000 0.257 336 G HA3 -0.371 3.586 3.960 -0.006 0.000 0.257 336 G C 0.695 175.582 174.900 -0.021 0.000 1.010 336 G CA 0.880 45.986 45.100 0.011 0.000 0.736 336 G HN 0.663 nan 8.290 nan 0.000 0.513 337 K N -1.600 118.777 120.400 -0.040 0.000 2.608 337 K HA 0.268 4.585 4.320 -0.006 0.000 0.209 337 K C 0.462 176.977 176.600 -0.141 0.000 1.369 337 K CA 0.535 56.767 56.287 -0.091 0.000 1.029 337 K CB 0.439 32.898 32.500 -0.069 0.000 1.139 337 K HN 0.711 nan 8.250 nan 0.000 0.623 338 T N -2.201 112.297 114.554 -0.094 0.000 2.916 338 T HA 0.471 4.817 4.350 -0.006 0.000 0.292 338 T C -0.922 173.785 174.700 0.011 0.000 1.055 338 T CA -0.728 61.318 62.100 -0.090 0.000 1.009 338 T CB 1.421 70.276 68.868 -0.022 0.000 1.118 338 T HN 0.142 nan 8.240 nan 0.000 0.497 339 W N 1.318 122.626 121.300 0.013 0.000 2.303 339 W HA 0.355 5.011 4.660 -0.006 0.000 0.334 339 W C 1.627 178.143 176.519 -0.005 0.000 1.197 339 W CA -0.983 56.377 57.345 0.025 0.000 1.262 339 W CB 0.736 30.220 29.460 0.041 0.000 1.153 339 W HN 0.924 nan 8.180 nan 0.000 0.596 340 Q N 0.426 120.381 119.800 0.258 0.000 2.167 340 Q HA -0.145 4.191 4.340 -0.006 0.000 0.202 340 Q C 0.258 176.270 176.000 0.021 0.000 0.970 340 Q CA 1.106 56.979 55.803 0.116 0.000 0.855 340 Q CB 0.274 29.076 28.738 0.108 0.000 0.911 340 Q HN 0.274 nan 8.270 nan 0.000 0.438 341 Q N -0.527 119.239 119.800 -0.057 0.000 2.375 341 Q HA 0.220 4.556 4.340 -0.006 0.000 0.271 341 Q C -2.126 173.684 176.000 -0.316 0.000 1.074 341 Q CA -1.905 53.729 55.803 -0.282 0.000 0.808 341 Q CB 1.572 29.930 28.738 -0.634 0.000 1.327 341 Q HN -0.030 nan 8.270 nan 0.000 0.441 342 P HA 0.012 nan 4.420 nan 0.000 0.253 342 P C 1.010 178.146 177.300 -0.275 0.000 1.260 342 P CA 0.359 63.372 63.100 -0.146 0.000 0.800 342 P CB 0.141 31.901 31.700 0.099 0.000 1.162 343 G N 1.138 109.494 108.800 -0.741 0.000 2.513 343 G HA2 -0.311 3.646 3.960 -0.006 0.000 0.219 343 G HA3 -0.311 3.646 3.960 -0.006 0.000 0.219 343 G C 1.680 176.445 174.900 -0.225 0.000 1.160 343 G CA 1.056 45.672 45.100 -0.807 0.000 0.767 343 G HN 0.270 nan 8.290 nan 0.000 0.571 344 S N 0.837 116.464 115.700 -0.121 0.000 2.383 344 S HA 0.079 4.546 4.470 -0.006 0.000 0.227 344 S C 2.768 177.287 174.600 -0.136 0.000 1.026 344 S CA 1.135 59.372 58.200 0.062 0.000 0.981 344 S CB -0.318 63.015 63.200 0.221 0.000 0.818 344 S HN 0.627 nan 8.310 nan 0.000 0.472 345 A N 1.479 124.283 122.820 -0.027 0.000 1.898 345 A HA -0.005 4.311 4.320 -0.006 0.000 0.216 345 A C 2.036 179.619 177.584 -0.002 0.000 1.181 345 A CA 1.032 53.055 52.037 -0.023 0.000 0.620 345 A CB -0.696 18.334 19.000 0.049 0.000 0.819 345 A HN 0.458 nan 8.150 nan 0.000 0.442 346 I N -0.241 120.366 120.570 0.061 0.000 2.118 346 I HA -0.312 3.854 4.170 -0.006 0.000 0.241 346 I C 2.397 178.594 176.117 0.133 0.000 1.070 346 I CA 1.450 62.825 61.300 0.127 0.000 1.327 346 I CB -0.386 37.683 38.000 0.115 0.000 1.034 346 I HN 0.290 nan 8.210 nan 0.000 0.405 347 L N 0.345 121.626 121.223 0.097 0.000 2.083 347 L HA -0.237 4.099 4.340 -0.006 0.000 0.209 347 L C 2.407 179.360 176.870 0.139 0.000 1.083 347 L CA 1.263 56.224 54.840 0.203 0.000 0.752 347 L CB -0.793 41.437 42.059 0.285 0.000 0.899 347 L HN 0.372 nan 8.230 nan 0.000 0.433 348 N N 0.419 118.982 118.700 -0.227 0.000 2.025 348 N HA -0.167 4.569 4.740 -0.006 0.000 0.194 348 N C 1.722 177.240 175.510 0.014 0.000 1.044 348 N CA 1.913 54.804 53.050 -0.264 0.000 0.851 348 N CB -0.353 37.829 38.487 -0.509 0.000 1.036 348 N HN 0.054 nan 8.380 nan 0.000 0.422 349 V N -0.371 119.569 119.914 0.043 0.000 2.407 349 V HA -0.165 3.952 4.120 -0.006 0.000 0.248 349 V C 2.034 178.212 176.094 0.140 0.000 1.055 349 V CA 1.676 64.025 62.300 0.082 0.000 1.049 349 V CB -0.868 31.005 31.823 0.084 0.000 0.662 349 V HN 0.460 nan 8.190 nan 0.000 0.455 350 W N 0.362 121.674 121.300 0.020 0.000 2.333 350 W HA -0.212 4.444 4.660 -0.006 0.000 0.316 350 W C 2.138 178.651 176.519 -0.011 0.000 1.215 350 W CA 1.654 59.012 57.345 0.022 0.000 1.278 350 W CB -0.456 29.023 29.460 0.033 0.000 1.154 350 W HN 0.165 nan 8.180 nan 0.000 0.486 351 L N 0.599 121.813 121.223 -0.016 0.000 2.083 351 L HA -0.165 4.172 4.340 -0.006 0.000 0.209 351 L C 2.437 179.177 176.870 -0.216 0.000 1.083 351 L CA 2.577 57.259 54.840 -0.264 0.000 0.752 351 L CB -1.425 40.650 42.059 0.027 0.000 0.899 351 L HN -0.028 nan 8.230 nan 0.000 0.433 352 T N -1.888 112.621 114.554 -0.074 0.000 2.746 352 T HA -0.192 4.155 4.350 -0.006 0.000 0.267 352 T C 2.114 176.749 174.700 -0.108 0.000 1.039 352 T CA 1.596 63.664 62.100 -0.052 0.000 1.142 352 T CB -0.312 68.556 68.868 0.001 0.000 0.866 352 T HN 0.394 nan 8.240 nan 0.000 0.444 353 S N 0.508 116.123 115.700 -0.142 0.000 2.368 353 S HA -0.068 4.399 4.470 -0.006 0.000 0.224 353 S C 2.137 176.598 174.600 -0.232 0.000 1.029 353 S CA 0.848 58.959 58.200 -0.148 0.000 0.988 353 S CB -0.332 62.809 63.200 -0.099 0.000 0.838 353 S HN 0.200 nan 8.310 nan 0.000 0.462 354 M N 0.838 120.175 119.600 -0.438 0.000 2.213 354 M HA 0.018 4.495 4.480 -0.006 0.000 0.263 354 M C 2.058 178.176 176.300 -0.303 0.000 1.062 354 M CA 1.165 56.180 55.300 -0.474 0.000 1.105 354 M CB -1.300 30.743 32.600 -0.927 0.000 1.385 354 M HN 0.375 nan 8.290 nan 0.000 0.417 355 L N -0.522 120.554 121.223 -0.245 0.000 2.072 355 L HA -0.179 4.157 4.340 -0.006 0.000 0.205 355 L C 2.511 179.321 176.870 -0.100 0.000 1.079 355 L CA 1.038 55.792 54.840 -0.143 0.000 0.752 355 L CB -0.589 41.428 42.059 -0.069 0.000 0.906 355 L HN 0.262 nan 8.230 nan 0.000 0.436 356 K N 0.497 120.843 120.400 -0.089 0.000 2.147 356 K HA -0.175 4.141 4.320 -0.006 0.000 0.205 356 K C 2.180 178.739 176.600 -0.069 0.000 1.049 356 K CA 1.340 57.591 56.287 -0.060 0.000 0.936 356 K CB 0.075 32.545 32.500 -0.050 0.000 0.722 356 K HN 0.180 nan 8.250 nan 0.000 0.446 357 R N -0.379 120.067 120.500 -0.090 0.000 2.200 357 R HA -0.020 4.316 4.340 -0.006 0.000 0.208 357 R C 1.913 178.151 176.300 -0.104 0.000 1.033 357 R CA 1.517 57.572 56.100 -0.075 0.000 1.000 357 R CB 0.193 30.457 30.300 -0.059 0.000 0.906 357 R HN 0.466 nan 8.270 nan 0.000 0.462 358 T N -3.291 111.167 114.554 -0.160 0.000 3.518 358 T HA 0.081 4.428 4.350 -0.006 0.000 0.211 358 T C 1.833 176.414 174.700 -0.199 0.000 0.940 358 T CA 0.175 62.130 62.100 -0.240 0.000 1.307 358 T CB -0.621 68.009 68.868 -0.397 0.000 1.392 358 T HN -0.146 nan 8.240 nan 0.000 0.382 359 V N 2.307 122.113 119.914 -0.181 0.000 2.261 359 V HA -0.127 3.990 4.120 -0.006 0.000 0.246 359 V C 2.977 179.001 176.094 -0.116 0.000 1.047 359 V CA 1.773 63.974 62.300 -0.164 0.000 1.015 359 V CB -1.140 30.609 31.823 -0.124 0.000 0.642 359 V HN 0.428 nan 8.190 nan 0.000 0.446 360 V N 0.537 120.422 119.914 -0.048 0.000 2.332 360 V HA -0.299 3.817 4.120 -0.006 0.000 0.248 360 V C 2.769 178.840 176.094 -0.039 0.000 1.055 360 V CA 2.184 64.481 62.300 -0.006 0.000 1.038 360 V CB -1.231 30.595 31.823 0.006 0.000 0.651 360 V HN 0.575 nan 8.190 nan 0.000 0.450 361 A N -0.243 122.541 122.820 -0.061 0.000 1.972 361 A HA -0.059 4.258 4.320 -0.006 0.000 0.219 361 A C 2.267 179.811 177.584 -0.066 0.000 1.169 361 A CA 1.902 53.904 52.037 -0.059 0.000 0.635 361 A CB -0.563 18.400 19.000 -0.063 0.000 0.810 361 A HN 0.609 nan 8.150 nan 0.000 0.446 362 A N -1.000 121.766 122.820 -0.091 0.000 2.208 362 A HA 0.429 4.746 4.320 -0.006 0.000 0.209 362 A C 0.608 178.137 177.584 -0.092 0.000 1.161 362 A CA 0.469 52.449 52.037 -0.095 0.000 0.782 362 A CB -0.156 18.768 19.000 -0.126 0.000 0.816 362 A HN 0.276 nan 8.150 nan 0.000 0.477 363 V N 2.156 122.021 119.914 -0.081 0.000 2.435 363 V HA 0.321 4.438 4.120 -0.006 0.000 0.290 363 V C -2.451 173.634 176.094 -0.016 0.000 1.030 363 V CA -2.039 60.227 62.300 -0.056 0.000 0.881 363 V CB 1.426 33.224 31.823 -0.042 0.000 0.983 363 V HN 0.196 nan 8.190 nan 0.000 0.445 364 P HA 0.177 nan 4.420 nan 0.000 0.268 364 P C -0.266 177.051 177.300 0.028 0.000 1.205 364 P CA -0.137 62.980 63.100 0.029 0.000 0.771 364 P CB 0.428 32.164 31.700 0.060 0.000 0.858 365 M N 4.411 123.976 119.600 -0.058 0.000 2.245 365 M HA 0.109 4.585 4.480 -0.006 0.000 0.344 365 M C -1.264 174.866 176.300 -0.284 0.000 1.170 365 M CA -0.879 54.317 55.300 -0.174 0.000 1.135 365 M CB 0.206 32.725 32.600 -0.135 0.000 1.574 365 M HN 0.285 nan 8.290 nan 0.000 0.452 366 P HA 0.167 nan 4.420 nan 0.000 0.259 366 P C 0.099 176.859 177.300 -0.900 0.000 1.530 366 P CA 0.259 62.980 63.100 -0.632 0.000 1.022 366 P CB -0.062 31.303 31.700 -0.558 0.000 1.514 367 F N 1.607 121.233 119.950 -0.540 0.000 2.661 367 F HA -0.055 4.468 4.527 -0.006 0.000 0.298 367 F C 2.151 177.625 175.800 -0.543 0.000 1.137 367 F CA 0.731 58.146 58.000 -0.975 0.000 1.454 367 F CB -0.695 37.736 39.000 -0.948 0.000 1.103 367 F HN 0.009 nan 8.300 nan 0.000 0.577 368 D N 0.459 120.770 120.400 -0.148 0.000 2.178 368 D HA -0.203 4.434 4.640 -0.006 0.000 0.201 368 D C 1.677 177.997 176.300 0.034 0.000 0.980 368 D CA 0.984 54.994 54.000 0.016 0.000 0.842 368 D CB -0.280 40.509 40.800 -0.019 0.000 0.948 368 D HN 0.085 nan 8.370 nan 0.000 0.472 369 K N 0.085 120.447 120.400 -0.063 0.000 2.280 369 K HA -0.074 4.242 4.320 -0.006 0.000 0.202 369 K C 1.627 178.306 176.600 0.131 0.000 1.047 369 K CA 0.400 56.697 56.287 0.017 0.000 0.942 369 K CB -0.639 31.859 32.500 -0.004 0.000 0.739 369 K HN 0.357 nan 8.250 nan 0.000 0.457 370 W N -0.677 120.523 121.300 -0.167 0.000 2.525 370 W HA -0.054 4.603 4.660 -0.006 0.000 0.259 370 W C 0.676 176.909 176.519 -0.476 0.000 1.253 370 W CA 0.510 57.641 57.345 -0.357 0.000 1.262 370 W CB -0.649 28.337 29.460 -0.789 0.000 1.122 370 W HN 0.114 nan 8.180 nan 0.000 0.607 371 Y N -0.441 120.001 120.300 0.237 0.000 2.557 371 Y HA 0.061 4.608 4.550 -0.006 0.000 0.247 371 Y C 2.102 178.052 175.900 0.083 0.000 1.164 371 Y CA 0.385 58.578 58.100 0.154 0.000 1.218 371 Y CB -0.507 38.016 38.460 0.105 0.000 1.210 371 Y HN -0.140 nan 8.280 nan 0.000 0.529 372 S N -0.709 115.090 115.700 0.165 0.000 2.528 372 S HA 0.355 4.821 4.470 -0.006 0.000 0.219 372 S C 1.130 175.780 174.600 0.083 0.000 0.985 372 S CA -0.004 58.255 58.200 0.099 0.000 0.914 372 S CB -0.089 63.152 63.200 0.068 0.000 0.776 372 S HN 0.188 nan 8.310 nan 0.000 0.526 373 A N 2.149 125.025 122.820 0.093 0.000 2.388 373 A HA 0.581 4.898 4.320 -0.006 0.000 0.257 373 A C 1.288 178.928 177.584 0.094 0.000 1.095 373 A CA -0.020 52.068 52.037 0.086 0.000 0.791 373 A CB 0.440 19.486 19.000 0.077 0.000 1.029 373 A HN 0.471 nan 8.150 nan 0.000 0.489 374 S N 1.312 117.086 115.700 0.124 0.000 2.501 374 S HA 0.379 4.845 4.470 -0.006 0.000 0.220 374 S C 1.282 175.975 174.600 0.156 0.000 0.997 374 S CA 0.868 59.175 58.200 0.177 0.000 0.919 374 S CB 0.079 63.443 63.200 0.272 0.000 0.778 374 S HN 2.536 nan 8.310 nan 0.000 0.523 375 G N -0.050 108.801 108.800 0.085 0.000 2.163 375 G HA2 -0.227 3.729 3.960 -0.006 0.000 0.213 375 G HA3 -0.227 3.729 3.960 -0.006 0.000 0.213 375 G C 0.186 174.984 174.900 -0.170 0.000 0.991 375 G CA 0.209 45.269 45.100 -0.067 0.000 0.653 375 G HN 0.545 nan 8.290 nan 0.000 0.518 376 Y N 0.610 120.948 120.300 0.064 0.000 2.481 376 Y HA 0.425 4.972 4.550 -0.006 0.000 0.247 376 Y C 1.100 177.025 175.900 0.042 0.000 1.151 376 Y CA -0.272 57.870 58.100 0.071 0.000 1.238 376 Y CB 0.608 39.133 38.460 0.110 0.000 1.179 376 Y HN 0.230 nan 8.280 nan 0.000 0.524 377 E N 1.353 121.645 120.200 0.154 0.000 2.465 377 E HA 0.198 4.544 4.350 -0.006 0.000 0.260 377 E C 0.560 177.193 176.600 0.055 0.000 0.980 377 E CA 0.540 56.998 56.400 0.097 0.000 0.927 377 E CB 0.426 30.170 29.700 0.074 0.000 0.934 377 E HN 0.321 nan 8.360 nan 0.000 0.459 378 T N -0.816 113.763 114.554 0.041 0.000 2.671 378 T HA 0.724 5.071 4.350 -0.006 0.000 0.300 378 T C -0.075 174.633 174.700 0.014 0.000 1.238 378 T CA -0.513 61.593 62.100 0.010 0.000 1.020 378 T CB 1.437 70.286 68.868 -0.033 0.000 1.503 378 T HN 0.426 nan 8.240 nan 0.000 0.497 379 T N -2.241 112.318 114.554 0.008 0.000 2.676 379 T HA 0.459 4.806 4.350 -0.006 0.000 0.269 379 T C 1.013 175.713 174.700 -0.000 0.000 0.952 379 T CA -0.728 61.378 62.100 0.010 0.000 1.040 379 T CB 1.104 69.987 68.868 0.026 0.000 1.352 379 T HN 0.613 nan 8.240 nan 0.000 0.554 380 Q N -0.065 119.740 119.800 0.007 0.000 2.170 380 Q HA -0.138 4.199 4.340 -0.006 0.000 0.203 380 Q C 1.154 177.170 176.000 0.027 0.000 0.976 380 Q CA 1.569 57.374 55.803 0.004 0.000 0.858 380 Q CB -0.230 28.511 28.738 0.005 0.000 0.907 380 Q HN 0.572 nan 8.270 nan 0.000 0.433 381 D N -0.572 119.858 120.400 0.050 0.000 2.348 381 D HA 0.057 4.693 4.640 -0.006 0.000 0.216 381 D C 0.829 177.147 176.300 0.030 0.000 0.970 381 D CA 1.026 55.069 54.000 0.072 0.000 0.889 381 D CB 0.223 41.070 40.800 0.078 0.000 0.912 381 D HN 0.384 nan 8.370 nan 0.000 0.524 382 G N 0.898 109.700 108.800 0.003 0.000 2.710 382 G HA2 -0.178 3.779 3.960 -0.006 0.000 0.668 382 G HA3 -0.178 3.779 3.960 -0.006 0.000 0.668 382 G C -2.633 172.254 174.900 -0.021 0.000 1.320 382 G CA -1.133 43.945 45.100 -0.036 0.000 0.860 382 G HN -0.058 nan 8.290 nan 0.000 0.538 383 P HA 0.145 nan 4.420 nan 0.000 0.266 383 P C 1.313 178.724 177.300 0.185 0.000 1.186 383 P CA 1.014 64.117 63.100 0.004 0.000 0.767 383 P CB 0.385 32.002 31.700 -0.137 0.000 0.820 384 T N -0.771 113.901 114.554 0.196 0.000 3.081 384 T HA 0.316 4.663 4.350 -0.006 0.000 0.255 384 T C 0.859 175.730 174.700 0.287 0.000 1.113 384 T CA 0.605 62.842 62.100 0.229 0.000 1.082 384 T CB -0.242 68.722 68.868 0.161 0.000 0.939 384 T HN 0.503 nan 8.240 nan 0.000 0.506 385 G N 1.111 110.113 108.800 0.336 0.000 2.947 385 G HA2 0.512 4.469 3.960 -0.006 0.000 0.293 385 G HA3 0.512 4.469 3.960 -0.006 0.000 0.293 385 G C -0.746 174.404 174.900 0.418 0.000 1.243 385 G CA -0.266 44.977 45.100 0.239 0.000 0.802 385 G HN 0.485 nan 8.290 nan 0.000 0.560 386 S N -0.609 115.261 115.700 0.284 0.000 2.579 386 S HA 0.480 4.947 4.470 -0.006 0.000 0.275 386 S C -0.101 174.650 174.600 0.251 0.000 1.345 386 S CA -0.329 58.085 58.200 0.357 0.000 1.031 386 S CB 0.986 64.352 63.200 0.275 0.000 0.892 386 S HN 0.446 nan 8.310 nan 0.000 0.529 387 L N 2.722 124.099 121.223 0.257 0.000 2.349 387 L HA 0.499 4.836 4.340 -0.006 0.000 0.275 387 L C 0.542 177.357 176.870 -0.091 0.000 1.115 387 L CA 0.366 55.244 54.840 0.062 0.000 0.820 387 L CB 0.323 42.434 42.059 0.086 0.000 1.135 387 L HN 0.988 nan 8.230 nan 0.000 0.445 388 N N 1.647 120.255 118.700 -0.153 0.000 2.831 388 N HA 0.565 5.302 4.740 -0.006 0.000 0.276 388 N C -1.203 174.185 175.510 -0.204 0.000 1.416 388 N CA -0.887 52.023 53.050 -0.233 0.000 0.799 388 N CB 1.479 39.850 38.487 -0.195 0.000 1.554 388 N HN 0.367 nan 8.380 nan 0.000 0.541 389 I N 1.605 122.060 120.570 -0.192 0.000 2.325 389 I HA 0.133 4.300 4.170 -0.006 0.000 0.291 389 I C 0.562 176.634 176.117 -0.076 0.000 1.019 389 I CA -0.243 60.989 61.300 -0.115 0.000 1.302 389 I CB 1.231 39.164 38.000 -0.111 0.000 1.401 389 I HN 0.467 nan 8.210 nan 0.000 0.485 390 S N 5.325 121.012 115.700 -0.021 0.000 2.584 390 S HA 0.101 4.568 4.470 -0.006 0.000 0.270 390 S C 1.441 176.065 174.600 0.040 0.000 1.346 390 S CA -0.735 57.468 58.200 0.006 0.000 1.018 390 S CB 1.233 64.459 63.200 0.043 0.000 0.899 390 S HN 0.457 nan 8.310 nan 0.000 0.542 391 V N 1.846 121.791 119.914 0.053 0.000 2.282 391 V HA -0.059 4.058 4.120 -0.006 0.000 0.249 391 V C 2.759 178.977 176.094 0.206 0.000 1.057 391 V CA 2.071 64.439 62.300 0.113 0.000 1.032 391 V CB -2.326 29.617 31.823 0.200 0.000 0.645 391 V HN 1.004 nan 8.190 nan 0.000 0.447 392 G N 0.130 109.078 108.800 0.246 0.000 2.446 392 G HA2 -0.216 3.740 3.960 -0.006 0.000 0.217 392 G HA3 -0.216 3.740 3.960 -0.006 0.000 0.217 392 G C 1.734 176.733 174.900 0.165 0.000 1.168 392 G CA 1.471 46.716 45.100 0.241 0.000 0.771 392 G HN 0.786 nan 8.290 nan 0.000 0.551 393 A N 0.431 123.352 122.820 0.168 0.000 1.972 393 A HA 0.037 4.354 4.320 -0.006 0.000 0.219 393 A C 2.311 180.087 177.584 0.320 0.000 1.169 393 A CA 1.969 54.163 52.037 0.263 0.000 0.635 393 A CB -0.283 18.886 19.000 0.281 0.000 0.810 393 A HN 0.407 nan 8.150 nan 0.000 0.446 394 K N -0.481 120.034 120.400 0.193 0.000 2.103 394 K HA 0.080 4.396 4.320 -0.006 0.000 0.204 394 K C 1.706 178.427 176.600 0.201 0.000 1.052 394 K CA 1.195 57.579 56.287 0.162 0.000 0.945 394 K CB -0.262 32.274 32.500 0.060 0.000 0.722 394 K HN 0.506 nan 8.250 nan 0.000 0.443 395 I N 0.947 121.613 120.570 0.159 0.000 2.226 395 I HA -0.272 3.895 4.170 -0.006 0.000 0.245 395 I C 2.252 178.439 176.117 0.117 0.000 1.100 395 I CA 0.797 62.163 61.300 0.109 0.000 1.374 395 I CB -0.163 37.866 38.000 0.048 0.000 1.057 395 I HN 0.128 nan 8.210 nan 0.000 0.413 396 L N -0.084 121.233 121.223 0.156 0.000 2.141 396 L HA -0.246 4.090 4.340 -0.006 0.000 0.209 396 L C 2.433 179.509 176.870 0.343 0.000 1.094 396 L CA 1.700 56.642 54.840 0.170 0.000 0.763 396 L CB -0.783 41.345 42.059 0.115 0.000 0.908 396 L HN 0.230 nan 8.230 nan 0.000 0.437 397 Y N 0.202 120.679 120.300 0.295 0.000 2.224 397 Y HA -0.188 4.359 4.550 -0.006 0.000 0.289 397 Y C 2.347 178.324 175.900 0.127 0.000 1.146 397 Y CA 1.835 60.059 58.100 0.206 0.000 1.182 397 Y CB 0.020 38.498 38.460 0.030 0.000 0.983 397 Y HN 0.274 nan 8.280 nan 0.000 0.524 398 E N 0.393 120.667 120.200 0.123 0.000 2.047 398 E HA -0.184 4.163 4.350 -0.006 0.000 0.191 398 E C 2.479 179.082 176.600 0.005 0.000 0.987 398 E CA 1.134 57.550 56.400 0.027 0.000 0.799 398 E CB -0.892 28.856 29.700 0.080 0.000 0.752 398 E HN 0.544 nan 8.360 nan 0.000 0.449 399 A N 1.481 124.336 122.820 0.058 0.000 1.917 399 A HA -0.181 4.135 4.320 -0.006 0.000 0.219 399 A C 2.480 180.204 177.584 0.234 0.000 1.182 399 A CA 2.213 54.317 52.037 0.111 0.000 0.633 399 A CB -0.863 18.151 19.000 0.024 0.000 0.819 399 A HN 0.228 nan 8.150 nan 0.000 0.448 400 V N -3.180 116.863 119.914 0.214 0.000 3.380 400 V HA -0.059 4.057 4.120 -0.006 0.000 0.268 400 V C 1.588 177.673 176.094 -0.016 0.000 1.168 400 V CA 1.591 64.004 62.300 0.189 0.000 1.156 400 V CB -0.531 31.459 31.823 0.279 0.000 0.785 400 V HN 0.488 nan 8.190 nan 0.000 0.487 401 Q N 1.022 120.749 119.800 -0.123 0.000 2.424 401 Q HA 0.264 4.601 4.340 -0.006 0.000 0.204 401 Q C 1.622 177.587 176.000 -0.059 0.000 0.933 401 Q CA 0.883 56.588 55.803 -0.162 0.000 0.929 401 Q CB 0.334 28.925 28.738 -0.244 0.000 1.037 401 Q HN 0.908 nan 8.270 nan 0.000 0.511 402 G N 2.467 111.264 108.800 -0.007 0.000 2.550 402 G HA2 -0.379 3.577 3.960 -0.006 0.000 0.277 402 G HA3 -0.379 3.577 3.960 -0.006 0.000 0.277 402 G C 0.026 174.928 174.900 0.004 0.000 1.190 402 G CA 0.416 45.522 45.100 0.010 0.000 0.971 402 G HN 0.457 nan 8.290 nan 0.000 0.559 403 D N 0.395 120.796 120.400 0.001 0.000 2.336 403 D HA 0.299 4.936 4.640 -0.006 0.000 0.229 403 D C 1.613 177.912 176.300 -0.001 0.000 1.061 403 D CA 0.914 54.916 54.000 0.003 0.000 0.875 403 D CB 0.357 41.160 40.800 0.005 0.000 0.904 403 D HN 0.443 nan 8.370 nan 0.000 0.525 404 K N 0.479 120.872 120.400 -0.011 0.000 2.418 404 K HA 0.073 4.389 4.320 -0.006 0.000 0.195 404 K C 0.378 176.974 176.600 -0.008 0.000 1.035 404 K CA 0.004 56.284 56.287 -0.012 0.000 1.003 404 K CB 0.156 32.641 32.500 -0.024 0.000 0.793 404 K HN 0.108 nan 8.250 nan 0.000 0.494 405 S N 0.745 116.440 115.700 -0.009 0.000 2.537 405 S HA 0.250 4.716 4.470 -0.006 0.000 0.275 405 S C -1.722 172.890 174.600 0.019 0.000 1.272 405 S CA -1.456 56.748 58.200 0.005 0.000 1.050 405 S CB 0.894 64.094 63.200 0.000 0.000 0.961 405 S HN 0.084 nan 8.310 nan 0.000 0.496 406 P HA 0.119 nan 4.420 nan 0.000 0.233 406 P C -0.100 177.219 177.300 0.031 0.000 1.167 406 P CA 0.299 63.418 63.100 0.031 0.000 0.770 406 P CB -0.082 31.641 31.700 0.039 0.000 0.837 407 I N 2.634 123.223 120.570 0.033 0.000 2.301 407 I HA 0.230 4.396 4.170 -0.006 0.000 0.292 407 I C -2.278 173.852 176.117 0.021 0.000 1.046 407 I CA -3.500 57.818 61.300 0.030 0.000 1.282 407 I CB 0.143 38.165 38.000 0.037 0.000 1.409 407 I HN -0.205 nan 8.210 nan 0.000 0.484 408 P HA -0.011 nan 4.420 nan 0.000 0.261 408 P C -0.369 176.935 177.300 0.007 0.000 1.183 408 P CA -0.015 63.092 63.100 0.012 0.000 0.761 408 P CB 0.292 31.998 31.700 0.010 0.000 0.785 409 Q N 2.744 122.549 119.800 0.008 0.000 2.678 409 Q HA 0.218 4.555 4.340 -0.006 0.000 0.222 409 Q C 1.353 177.351 176.000 -0.004 0.000 1.281 409 Q CA -0.235 55.570 55.803 0.002 0.000 0.994 409 Q CB 0.455 29.203 28.738 0.016 0.000 1.452 409 Q HN 0.481 nan 8.270 nan 0.000 0.570 410 A N 2.103 124.915 122.820 -0.012 0.000 1.908 410 A HA -0.083 4.234 4.320 -0.006 0.000 0.218 410 A C 1.084 178.656 177.584 -0.020 0.000 1.181 410 A CA 1.460 53.487 52.037 -0.015 0.000 0.627 410 A CB -0.003 18.984 19.000 -0.020 0.000 0.818 410 A HN 0.431 nan 8.150 nan 0.000 0.445 411 V N -1.723 118.172 119.914 -0.032 0.000 2.581 411 V HA 0.548 4.664 4.120 -0.006 0.000 0.303 411 V C -0.785 175.290 176.094 -0.031 0.000 1.041 411 V CA -1.106 61.173 62.300 -0.035 0.000 0.907 411 V CB 1.620 33.411 31.823 -0.054 0.000 0.994 411 V HN 0.266 nan 8.190 nan 0.000 0.442 412 D N 2.641 123.033 120.400 -0.013 0.000 2.325 412 D HA 0.262 4.899 4.640 -0.006 0.000 0.251 412 D C 0.771 177.047 176.300 -0.040 0.000 1.196 412 D CA -0.019 53.987 54.000 0.010 0.000 0.866 412 D CB 1.213 42.044 40.800 0.052 0.000 1.101 412 D HN 0.586 nan 8.370 nan 0.000 0.476 413 L N 3.100 124.249 121.223 -0.124 0.000 2.395 413 L HA -0.028 4.309 4.340 -0.006 0.000 0.218 413 L C 1.142 177.783 176.870 -0.383 0.000 1.130 413 L CA 0.377 55.046 54.840 -0.284 0.000 0.826 413 L CB -0.176 41.633 42.059 -0.416 0.000 0.941 413 L HN 0.461 nan 8.230 nan 0.000 0.451 414 F N 0.127 120.070 119.950 -0.013 0.000 2.797 414 F HA 0.245 4.769 4.527 -0.006 0.000 0.302 414 F C 1.628 177.423 175.800 -0.008 0.000 1.130 414 F CA 0.201 58.197 58.000 -0.008 0.000 1.387 414 F CB -0.502 38.499 39.000 0.003 0.000 1.107 414 F HN 0.044 nan 8.300 nan 0.000 0.577 415 A N 0.444 123.322 122.820 0.097 0.000 2.640 415 A HA 0.015 4.332 4.320 -0.006 0.000 0.300 415 A C 1.830 179.455 177.584 0.068 0.000 1.499 415 A CA 1.044 53.114 52.037 0.055 0.000 0.759 415 A CB -1.860 17.156 19.000 0.026 0.000 1.048 415 A HN 1.399 nan 8.150 nan 0.000 0.450 416 G N -1.661 107.188 108.800 0.080 0.000 2.284 416 G HA2 -0.314 3.642 3.960 -0.006 0.000 0.247 416 G HA3 -0.314 3.642 3.960 -0.006 0.000 0.247 416 G C 0.248 175.182 174.900 0.057 0.000 1.012 416 G CA 1.014 46.148 45.100 0.058 0.000 0.618 416 G HN 1.280 nan 8.290 nan 0.000 0.521 417 K N 1.838 122.286 120.400 0.080 0.000 2.218 417 K HA 0.483 4.799 4.320 -0.006 0.000 0.276 417 K C -2.419 174.189 176.600 0.014 0.000 1.022 417 K CA -1.628 54.690 56.287 0.053 0.000 0.946 417 K CB 0.791 33.332 32.500 0.069 0.000 1.000 417 K HN 0.084 nan 8.250 nan 0.000 0.468 418 P HA -0.044 nan 4.420 nan 0.000 0.265 418 P C 0.213 177.395 177.300 -0.196 0.000 1.193 418 P CA 0.125 63.167 63.100 -0.098 0.000 0.765 418 P CB 0.607 32.269 31.700 -0.063 0.000 0.823 419 Q N 1.742 121.298 119.800 -0.407 0.000 2.096 419 Q HA -0.313 4.023 4.340 -0.006 0.000 0.208 419 Q C 2.068 177.906 176.000 -0.269 0.000 0.993 419 Q CA 2.148 57.530 55.803 -0.701 0.000 0.862 419 Q CB -0.180 28.125 28.738 -0.721 0.000 0.915 419 Q HN 0.617 nan 8.270 nan 0.000 0.416 420 Q N 0.534 120.248 119.800 -0.144 0.000 2.181 420 Q HA -0.252 4.084 4.340 -0.006 0.000 0.205 420 Q C 1.783 177.786 176.000 0.005 0.000 0.980 420 Q CA 1.733 57.514 55.803 -0.037 0.000 0.862 420 Q CB -0.099 28.619 28.738 -0.033 0.000 0.905 420 Q HN 0.423 nan 8.270 nan 0.000 0.429 421 E N -0.269 119.924 120.200 -0.011 0.000 2.106 421 E HA -0.149 4.198 4.350 -0.006 0.000 0.192 421 E C 1.868 178.505 176.600 0.062 0.000 0.984 421 E CA 1.353 57.768 56.400 0.025 0.000 0.806 421 E CB 0.153 29.862 29.700 0.015 0.000 0.750 421 E HN 0.355 nan 8.360 nan 0.000 0.458 422 V N 0.567 120.527 119.914 0.077 0.000 2.453 422 V HA -0.187 3.930 4.120 -0.006 0.000 0.247 422 V C 2.392 178.589 176.094 0.172 0.000 1.048 422 V CA 1.124 63.510 62.300 0.143 0.000 1.049 422 V CB -0.108 31.884 31.823 0.282 0.000 0.672 422 V HN 0.188 nan 8.190 nan 0.000 0.457 423 V N -0.114 119.921 119.914 0.203 0.000 2.358 423 V HA -0.224 3.893 4.120 -0.006 0.000 0.246 423 V C 2.287 178.577 176.094 0.328 0.000 1.047 423 V CA 1.882 64.396 62.300 0.356 0.000 1.035 423 V CB -0.474 31.544 31.823 0.325 0.000 0.658 423 V HN 0.436 nan 8.190 nan 0.000 0.452 424 L N -0.123 121.211 121.223 0.185 0.000 2.109 424 L HA -0.064 4.272 4.340 -0.006 0.000 0.207 424 L C 2.681 179.638 176.870 0.145 0.000 1.086 424 L CA 1.278 56.202 54.840 0.141 0.000 0.760 424 L CB -0.692 41.414 42.059 0.078 0.000 0.910 424 L HN 0.339 nan 8.230 nan 0.000 0.437 425 A N 0.103 123.001 122.820 0.129 0.000 1.902 425 A HA -0.155 4.162 4.320 -0.006 0.000 0.217 425 A C 2.524 180.188 177.584 0.132 0.000 1.181 425 A CA 1.645 53.747 52.037 0.109 0.000 0.623 425 A CB -0.660 18.389 19.000 0.081 0.000 0.818 425 A HN 0.380 nan 8.150 nan 0.000 0.443 426 A N -0.429 122.482 122.820 0.151 0.000 1.933 426 A HA -0.020 4.297 4.320 -0.006 0.000 0.218 426 A C 2.125 179.897 177.584 0.313 0.000 1.175 426 A CA 1.426 53.542 52.037 0.132 0.000 0.628 426 A CB -0.544 18.400 19.000 -0.093 0.000 0.814 426 A HN 0.467 nan 8.150 nan 0.000 0.444 427 L N -0.899 120.565 121.223 0.402 0.000 2.201 427 L HA -0.147 4.190 4.340 -0.006 0.000 0.212 427 L C 2.584 179.620 176.870 0.276 0.000 1.105 427 L CA 1.530 56.584 54.840 0.357 0.000 0.775 427 L CB -0.233 41.961 42.059 0.226 0.000 0.913 427 L HN 0.614 nan 8.230 nan 0.000 0.440 428 E N -0.037 120.297 120.200 0.223 0.000 2.112 428 E HA -0.197 4.149 4.350 -0.006 0.000 0.190 428 E C 1.433 178.171 176.600 0.230 0.000 0.979 428 E CA 0.890 57.420 56.400 0.218 0.000 0.814 428 E CB 0.226 30.017 29.700 0.150 0.000 0.762 428 E HN 0.402 nan 8.360 nan 0.000 0.460 429 D N 0.174 120.682 120.400 0.181 0.000 2.117 429 D HA -0.128 4.508 4.640 -0.006 0.000 0.197 429 D C 1.880 178.276 176.300 0.160 0.000 0.987 429 D CA 1.607 55.689 54.000 0.137 0.000 0.829 429 D CB -0.457 40.398 40.800 0.092 0.000 0.961 429 D HN 0.173 nan 8.370 nan 0.000 0.460 430 T N 0.384 115.073 114.554 0.225 0.000 2.674 430 T HA -0.171 4.176 4.350 -0.006 0.000 0.265 430 T C 1.668 176.530 174.700 0.269 0.000 1.039 430 T CA 0.913 63.158 62.100 0.242 0.000 1.150 430 T CB -0.410 68.650 68.868 0.320 0.000 0.864 430 T HN 0.377 nan 8.240 nan 0.000 0.427 431 W N 2.425 123.820 121.300 0.159 0.000 2.338 431 W HA -0.140 4.516 4.660 -0.006 0.000 0.304 431 W C 2.192 178.793 176.519 0.136 0.000 1.212 431 W CA 1.572 59.024 57.345 0.177 0.000 1.264 431 W CB -0.189 29.355 29.460 0.139 0.000 1.142 431 W HN 0.326 nan 8.180 nan 0.000 0.512 432 E N -0.091 120.163 120.200 0.089 0.000 2.031 432 E HA -0.204 4.143 4.350 -0.006 0.000 0.193 432 E C 1.940 178.453 176.600 -0.146 0.000 0.994 432 E CA 2.503 58.874 56.400 -0.049 0.000 0.800 432 E CB -0.497 29.239 29.700 0.059 0.000 0.752 432 E HN 0.101 nan 8.360 nan 0.000 0.447 433 T N 2.130 116.634 114.554 -0.084 0.000 2.652 433 T HA -0.142 4.205 4.350 -0.006 0.000 0.267 433 T C 2.082 176.644 174.700 -0.231 0.000 1.039 433 T CA 1.558 63.582 62.100 -0.127 0.000 1.153 433 T CB -0.282 68.550 68.868 -0.061 0.000 0.863 433 T HN 0.156 nan 8.240 nan 0.000 0.428 434 L N 1.433 122.518 121.223 -0.230 0.000 2.056 434 L HA -0.075 4.261 4.340 -0.006 0.000 0.207 434 L C 2.976 179.488 176.870 -0.597 0.000 1.078 434 L CA 1.441 56.041 54.840 -0.399 0.000 0.749 434 L CB -0.813 41.062 42.059 -0.306 0.000 0.901 434 L HN 0.387 nan 8.230 nan 0.000 0.433 435 S N -0.587 114.755 115.700 -0.597 0.000 2.402 435 S HA -0.207 4.259 4.470 -0.006 0.000 0.229 435 S C 2.008 176.369 174.600 -0.399 0.000 1.021 435 S CA 0.851 58.696 58.200 -0.593 0.000 0.974 435 S CB -0.287 62.230 63.200 -1.139 0.000 0.800 435 S HN 0.304 nan 8.310 nan 0.000 0.484 436 K N 1.323 121.499 120.400 -0.372 0.000 2.097 436 K HA -0.067 4.250 4.320 -0.006 0.000 0.205 436 K C 2.571 178.978 176.600 -0.321 0.000 1.050 436 K CA 1.289 57.412 56.287 -0.272 0.000 0.938 436 K CB -0.133 32.236 32.500 -0.219 0.000 0.718 436 K HN 0.553 nan 8.250 nan 0.000 0.442 437 R N -0.941 119.270 120.500 -0.482 0.000 2.112 437 R HA -0.064 4.272 4.340 -0.006 0.000 0.216 437 R C 1.275 177.144 176.300 -0.718 0.000 1.080 437 R CA 1.046 56.757 56.100 -0.647 0.000 0.996 437 R CB -0.009 29.755 30.300 -0.893 0.000 0.902 437 R HN 0.106 nan 8.270 nan 0.000 0.449 438 Y N -0.279 119.741 120.300 -0.468 0.000 2.481 438 Y HA 0.423 4.970 4.550 -0.006 0.000 0.258 438 Y C 1.022 176.804 175.900 -0.197 0.000 1.103 438 Y CA 0.393 58.209 58.100 -0.474 0.000 1.287 438 Y CB 0.929 38.711 38.460 -1.130 0.000 1.108 438 Y HN 0.392 nan 8.280 nan 0.000 0.529 439 G N 0.541 109.321 108.800 -0.033 0.000 2.631 439 G HA2 -0.245 3.711 3.960 -0.006 0.000 0.504 439 G HA3 -0.245 3.711 3.960 -0.006 0.000 0.504 439 G C 0.101 175.161 174.900 0.266 0.000 1.306 439 G CA -0.188 44.973 45.100 0.102 0.000 0.897 439 G HN 0.153 nan 8.290 nan 0.000 0.520 440 N N 0.288 119.142 118.700 0.257 0.000 2.373 440 N HA -0.008 4.729 4.740 -0.006 0.000 0.181 440 N C 0.752 176.476 175.510 0.357 0.000 1.082 440 N CA 0.352 53.619 53.050 0.363 0.000 0.885 440 N CB 0.068 38.761 38.487 0.345 0.000 0.977 440 N HN 0.498 nan 8.380 nan 0.000 0.462 441 N N 1.505 120.362 118.700 0.263 0.000 2.482 441 N HA 0.073 4.809 4.740 -0.006 0.000 0.242 441 N C 0.964 176.420 175.510 -0.090 0.000 1.100 441 N CA -0.082 53.029 53.050 0.102 0.000 0.946 441 N CB 0.783 39.329 38.487 0.098 0.000 1.227 441 N HN -0.262 nan 8.380 nan 0.000 0.508 442 V N 2.417 122.091 119.914 -0.400 0.000 2.594 442 V HA -0.181 3.936 4.120 -0.006 0.000 0.253 442 V C 1.849 177.563 176.094 -0.634 0.000 1.069 442 V CA 1.608 63.269 62.300 -1.065 0.000 1.082 442 V CB -0.452 30.858 31.823 -0.856 0.000 0.680 442 V HN 0.615 nan 8.190 nan 0.000 0.469 443 S N 0.929 116.458 115.700 -0.285 0.000 2.481 443 S HA -0.105 4.361 4.470 -0.006 0.000 0.231 443 S C 1.382 175.949 174.600 -0.056 0.000 0.996 443 S CA 1.238 59.349 58.200 -0.149 0.000 0.942 443 S CB -0.512 62.632 63.200 -0.092 0.000 0.768 443 S HN 0.971 nan 8.310 nan 0.000 0.520 444 N N -0.957 117.753 118.700 0.017 0.000 2.234 444 N HA 0.030 4.766 4.740 -0.006 0.000 0.227 444 N C -0.957 174.670 175.510 0.194 0.000 1.151 444 N CA -0.463 52.643 53.050 0.094 0.000 0.865 444 N CB 0.093 38.636 38.487 0.094 0.000 1.066 444 N HN 0.177 nan 8.380 nan 0.000 0.515 445 W N 2.646 123.875 121.300 -0.118 0.000 2.469 445 W HA 0.245 4.901 4.660 -0.006 0.000 0.321 445 W C 0.293 176.638 176.519 -0.289 0.000 1.415 445 W CA -0.808 56.371 57.345 -0.278 0.000 1.308 445 W CB 0.356 29.602 29.460 -0.356 0.000 1.368 445 W HN -0.105 nan 8.180 nan 0.000 0.546 446 K N 3.310 123.634 120.400 -0.127 0.000 2.414 446 K HA 0.214 4.531 4.320 -0.006 0.000 0.251 446 K C 0.284 176.776 176.600 -0.179 0.000 1.037 446 K CA -0.304 55.934 56.287 -0.083 0.000 0.980 446 K CB 0.787 33.283 32.500 -0.007 0.000 1.280 446 K HN 0.374 nan 8.250 nan 0.000 0.451 447 T N -0.199 114.253 114.554 -0.171 0.000 2.909 447 T HA 0.391 4.738 4.350 -0.006 0.000 0.286 447 T C -2.417 172.258 174.700 -0.043 0.000 1.002 447 T CA -2.271 59.750 62.100 -0.132 0.000 1.074 447 T CB 1.219 70.035 68.868 -0.085 0.000 0.984 447 T HN 0.175 nan 8.240 nan 0.000 0.495 448 P HA 0.357 nan 4.420 nan 0.000 0.276 448 P C -0.417 176.600 177.300 -0.470 0.000 1.243 448 P CA -0.340 62.650 63.100 -0.184 0.000 0.768 448 P CB 0.322 31.951 31.700 -0.118 0.000 0.856 449 A N 4.820 127.188 122.820 -0.754 0.000 2.332 449 A HA 0.466 4.782 4.320 -0.006 0.000 0.258 449 A C 0.466 177.527 177.584 -0.873 0.000 1.087 449 A CA -0.576 50.527 52.037 -1.557 0.000 0.802 449 A CB 0.025 18.261 19.000 -1.272 0.000 1.042 449 A HN 0.527 nan 8.150 nan 0.000 0.489 450 M N 1.250 120.389 119.600 -0.769 0.000 2.211 450 M HA 0.434 4.910 4.480 -0.006 0.000 0.356 450 M C 0.498 176.746 176.300 -0.087 0.000 1.216 450 M CA 0.103 55.249 55.300 -0.257 0.000 1.134 450 M CB 1.264 33.805 32.600 -0.098 0.000 1.564 450 M HN 0.840 nan 8.290 nan 0.000 0.463 451 A N 2.829 125.621 122.820 -0.045 0.000 2.284 451 A HA 0.895 5.212 4.320 -0.006 0.000 0.317 451 A C -1.454 176.148 177.584 0.030 0.000 1.120 451 A CA -0.654 51.389 52.037 0.009 0.000 0.900 451 A CB 1.141 20.144 19.000 0.005 0.000 1.319 451 A HN 0.663 nan 8.150 nan 0.000 0.494 452 L N -0.097 121.101 121.223 -0.041 0.000 2.409 452 L HA 0.633 4.970 4.340 -0.006 0.000 0.272 452 L C -0.701 176.035 176.870 -0.224 0.000 0.980 452 L CA 0.190 54.890 54.840 -0.233 0.000 0.826 452 L CB 1.702 43.475 42.059 -0.477 0.000 1.268 452 L HN 0.619 nan 8.230 nan 0.000 0.407 453 T N 5.582 119.980 114.554 -0.259 0.000 2.770 453 T HA 0.484 4.831 4.350 -0.006 0.000 0.283 453 T C -0.512 174.045 174.700 -0.237 0.000 0.988 453 T CA 0.049 62.018 62.100 -0.220 0.000 0.957 453 T CB 0.266 69.052 68.868 -0.137 0.000 0.930 453 T HN 0.231 nan 8.240 nan 0.000 0.443 454 F N 3.536 123.385 119.950 -0.168 0.000 2.405 454 F HA 0.343 4.867 4.527 -0.006 0.000 0.358 454 F C 1.356 177.111 175.800 -0.075 0.000 1.151 454 F CA -0.824 57.126 58.000 -0.083 0.000 1.161 454 F CB 0.298 39.251 39.000 -0.077 0.000 1.245 454 F HN 0.221 nan 8.300 nan 0.000 0.545 455 R N 1.533 122.078 120.500 0.074 0.000 2.539 455 R HA 0.406 4.743 4.340 -0.006 0.000 0.275 455 R C 1.001 177.438 176.300 0.229 0.000 1.077 455 R CA 0.015 56.194 56.100 0.131 0.000 1.097 455 R CB 0.803 31.192 30.300 0.148 0.000 1.018 455 R HN 0.751 nan 8.270 nan 0.000 0.483 456 A N 2.901 125.828 122.820 0.178 0.000 2.123 456 A HA -0.030 4.287 4.320 -0.006 0.000 0.214 456 A C 0.428 178.120 177.584 0.181 0.000 1.152 456 A CA 0.549 52.685 52.037 0.165 0.000 0.728 456 A CB -0.226 18.847 19.000 0.122 0.000 0.814 456 A HN 0.753 nan 8.150 nan 0.000 0.464 457 N N 1.471 120.300 118.700 0.215 0.000 2.455 457 N HA 0.224 4.961 4.740 -0.006 0.000 0.280 457 N C -0.527 175.162 175.510 0.298 0.000 1.055 457 N CA -0.542 52.636 53.050 0.214 0.000 0.961 457 N CB 0.731 39.334 38.487 0.194 0.000 1.121 457 N HN 0.575 nan 8.380 nan 0.000 0.476 458 N N 1.580 120.371 118.700 0.152 0.000 2.294 458 N HA -0.054 4.682 4.740 -0.006 0.000 0.248 458 N C 0.762 176.311 175.510 0.064 0.000 1.300 458 N CA -0.290 52.745 53.050 -0.026 0.000 0.925 458 N CB 0.068 38.532 38.487 -0.038 0.000 1.188 458 N HN 0.517 nan 8.380 nan 0.000 0.512 459 F N -1.764 118.137 119.950 -0.082 0.000 2.365 459 F HA 0.182 4.706 4.527 -0.006 0.000 0.300 459 F C 1.105 176.892 175.800 -0.023 0.000 1.090 459 F CA 0.286 58.287 58.000 0.001 0.000 1.408 459 F CB -0.795 38.163 39.000 -0.070 0.000 1.060 459 F HN 0.265 nan 8.300 nan 0.000 0.534 460 F N 1.323 121.036 119.950 -0.395 0.000 2.661 460 F HA 0.336 4.860 4.527 -0.006 0.000 0.298 460 F C 2.172 177.969 175.800 -0.006 0.000 1.137 460 F CA 0.664 58.562 58.000 -0.169 0.000 1.454 460 F CB -0.597 38.235 39.000 -0.280 0.000 1.103 460 F HN 0.239 nan 8.300 nan 0.000 0.577 461 G N 0.068 108.986 108.800 0.196 0.000 2.159 461 G HA2 -0.202 3.754 3.960 -0.006 0.000 0.227 461 G HA3 -0.202 3.754 3.960 -0.006 0.000 0.227 461 G C -0.180 174.795 174.900 0.126 0.000 0.986 461 G CA -0.095 45.104 45.100 0.165 0.000 0.651 461 G HN 0.153 nan 8.290 nan 0.000 0.523 462 V N 1.753 121.736 119.914 0.116 0.000 2.472 462 V HA 0.541 4.658 4.120 -0.006 0.000 0.290 462 V C -1.813 174.325 176.094 0.074 0.000 1.037 462 V CA -1.934 60.405 62.300 0.064 0.000 0.908 462 V CB 1.766 33.590 31.823 0.002 0.000 0.985 462 V HN 0.094 nan 8.190 nan 0.000 0.454 463 P HA 0.115 nan 4.420 nan 0.000 0.264 463 P C -0.272 177.064 177.300 0.059 0.000 1.193 463 P CA 0.079 63.221 63.100 0.070 0.000 0.763 463 P CB 0.187 31.922 31.700 0.058 0.000 0.810 464 Q N 2.181 122.026 119.800 0.074 0.000 2.118 464 Q HA 0.644 4.980 4.340 -0.006 0.000 0.219 464 Q C -0.207 175.836 176.000 0.072 0.000 0.794 464 Q CA -0.596 55.244 55.803 0.062 0.000 1.035 464 Q CB 0.786 29.556 28.738 0.053 0.000 1.177 464 Q HN 0.347 nan 8.270 nan 0.000 0.478 465 A N 0.325 123.193 122.820 0.081 0.000 2.566 465 A HA 0.791 5.107 4.320 -0.006 0.000 0.290 465 A C -1.424 176.209 177.584 0.081 0.000 1.071 465 A CA -0.482 51.608 52.037 0.089 0.000 0.658 465 A CB 0.438 19.501 19.000 0.106 0.000 1.285 465 A HN 0.349 nan 8.150 nan 0.000 0.427 466 A N -0.007 122.859 122.820 0.077 0.000 2.332 466 A HA 0.644 4.961 4.320 -0.006 0.000 0.258 466 A C 1.488 179.118 177.584 0.076 0.000 1.087 466 A CA 0.491 52.566 52.037 0.064 0.000 0.802 466 A CB -0.042 18.987 19.000 0.049 0.000 1.042 466 A HN 2.380 nan 8.150 nan 0.000 0.489 467 A N 0.401 123.263 122.820 0.071 0.000 1.940 467 A HA -0.140 4.177 4.320 -0.006 0.000 0.219 467 A C 1.532 179.168 177.584 0.086 0.000 1.176 467 A CA 2.118 54.203 52.037 0.079 0.000 0.631 467 A CB -0.711 18.332 19.000 0.072 0.000 0.814 467 A HN 0.874 nan 8.150 nan 0.000 0.446 468 E N 0.488 120.734 120.200 0.077 0.000 2.401 468 E HA -0.122 4.224 4.350 -0.006 0.000 0.199 468 E C 1.390 178.049 176.600 0.098 0.000 1.023 468 E CA 1.065 57.515 56.400 0.082 0.000 0.859 468 E CB -0.205 29.531 29.700 0.060 0.000 0.780 468 E HN 0.757 nan 8.360 nan 0.000 0.523 469 E N 0.466 120.729 120.200 0.105 0.000 2.502 469 E HA 0.015 4.362 4.350 -0.006 0.000 0.194 469 E C -0.059 176.597 176.600 0.093 0.000 1.062 469 E CA 0.133 56.610 56.400 0.129 0.000 0.867 469 E CB 0.152 29.944 29.700 0.154 0.000 0.888 469 E HN 0.089 nan 8.360 nan 0.000 0.510 470 T N 2.204 116.809 114.554 0.084 0.000 2.928 470 T HA 0.072 4.418 4.350 -0.006 0.000 0.305 470 T C 0.242 174.940 174.700 -0.004 0.000 1.035 470 T CA 0.237 62.360 62.100 0.039 0.000 1.145 470 T CB 0.466 69.354 68.868 0.032 0.000 0.963 470 T HN -0.049 nan 8.240 nan 0.000 0.545 471 R N 2.262 122.735 120.500 -0.044 0.000 2.637 471 R HA 0.416 4.753 4.340 -0.006 0.000 0.291 471 R C -0.874 175.360 176.300 -0.110 0.000 0.963 471 R CA -0.742 55.344 56.100 -0.024 0.000 0.901 471 R CB 1.300 31.549 30.300 -0.086 0.000 1.160 471 R HN 0.713 nan 8.270 nan 0.000 0.457 472 H N 0.504 119.657 119.070 0.137 0.000 2.466 472 H HA 0.306 4.858 4.556 -0.006 0.000 0.338 472 H C -0.391 175.001 175.328 0.106 0.000 1.091 472 H CA -0.467 55.645 56.048 0.105 0.000 1.207 472 H CB 2.066 31.863 29.762 0.057 0.000 1.466 472 H HN 0.314 nan 8.280 nan 0.000 0.493 473 Q N 2.536 122.443 119.800 0.178 0.000 2.337 473 Q HA 0.555 4.892 4.340 -0.006 0.000 0.270 473 Q C -0.193 175.849 176.000 0.070 0.000 1.043 473 Q CA -0.780 55.097 55.803 0.123 0.000 0.794 473 Q CB 1.842 30.665 28.738 0.142 0.000 1.281 473 Q HN 0.814 nan 8.270 nan 0.000 0.446 474 A N 3.699 126.554 122.820 0.059 0.000 1.898 474 A HA -0.104 4.212 4.320 -0.006 0.000 0.216 474 A C 0.735 178.338 177.584 0.031 0.000 1.181 474 A CA 1.181 53.240 52.037 0.036 0.000 0.620 474 A CB -0.144 18.875 19.000 0.033 0.000 0.819 474 A HN 0.781 nan 8.150 nan 0.000 0.442 475 E N -0.334 119.892 120.200 0.044 0.000 2.089 475 E HA 0.288 4.635 4.350 -0.006 0.000 0.284 475 E C -1.200 175.431 176.600 0.051 0.000 1.023 475 E CA -0.827 55.623 56.400 0.084 0.000 0.819 475 E CB 0.289 30.056 29.700 0.111 0.000 1.076 475 E HN 0.396 nan 8.360 nan 0.000 0.396 476 Y N 4.148 124.448 120.300 0.001 0.000 2.620 476 Y HA -0.017 4.530 4.550 -0.006 0.000 0.330 476 Y C -0.605 175.321 175.900 0.043 0.000 1.186 476 Y CA 0.583 58.651 58.100 -0.052 0.000 1.467 476 Y CB 0.543 39.011 38.460 0.013 0.000 1.262 476 Y HN 0.489 nan 8.280 nan 0.000 0.550 477 Q N 4.838 124.147 119.800 -0.819 0.000 2.321 477 Q HA 0.188 4.525 4.340 -0.006 0.000 0.270 477 Q C -1.078 174.540 176.000 -0.636 0.000 1.032 477 Q CA -1.002 54.526 55.803 -0.459 0.000 0.784 477 Q CB 1.356 29.965 28.738 -0.214 0.000 1.264 477 Q HN 0.609 nan 8.270 nan 0.000 0.448 478 N N 3.668 122.257 118.700 -0.185 0.000 2.895 478 N HA 0.078 4.815 4.740 -0.006 0.000 0.277 478 N C -1.252 174.404 175.510 0.243 0.000 1.185 478 N CA 0.006 53.155 53.050 0.165 0.000 1.106 478 N CB 0.062 38.816 38.487 0.446 0.000 1.422 478 N HN 0.598 nan 8.380 nan 0.000 0.521 479 R N -0.546 120.088 120.500 0.222 0.000 2.766 479 R HA 0.671 5.007 4.340 -0.006 0.000 0.270 479 R C -0.072 176.310 176.300 0.136 0.000 1.035 479 R CA -1.142 55.031 56.100 0.121 0.000 0.911 479 R CB -0.009 30.324 30.300 0.055 0.000 1.243 479 R HN 0.094 nan 8.270 nan 0.000 0.460 480 G N -0.097 108.691 108.800 -0.020 0.000 2.544 480 G HA2 0.185 4.142 3.960 -0.006 0.000 0.242 480 G HA3 0.185 4.142 3.960 -0.006 0.000 0.242 480 G C 0.448 175.368 174.900 0.032 0.000 1.247 480 G CA -0.210 44.832 45.100 -0.097 0.000 0.840 480 G HN 0.598 nan 8.290 nan 0.000 0.578 481 T N 0.662 115.101 114.554 -0.192 0.000 2.699 481 T HA -0.094 4.252 4.350 -0.006 0.000 0.268 481 T C 0.841 175.567 174.700 0.043 0.000 1.036 481 T CA 2.156 64.107 62.100 -0.249 0.000 1.147 481 T CB -0.184 68.561 68.868 -0.206 0.000 0.862 481 T HN 0.829 nan 8.240 nan 0.000 0.446 482 E N 0.321 120.542 120.200 0.035 0.000 2.369 482 E HA 0.586 4.932 4.350 -0.006 0.000 0.270 482 E C -1.485 175.107 176.600 -0.014 0.000 0.909 482 E CA -1.032 55.416 56.400 0.080 0.000 0.775 482 E CB 0.847 30.556 29.700 0.015 0.000 1.270 482 E HN 0.066 nan 8.360 nan 0.000 0.445 483 N N 0.625 119.352 118.700 0.046 0.000 2.269 483 N HA 0.439 5.176 4.740 -0.006 0.000 0.304 483 N C -1.768 173.802 175.510 0.101 0.000 1.072 483 N CA -0.759 52.263 53.050 -0.047 0.000 0.802 483 N CB 1.319 39.715 38.487 -0.151 0.000 1.348 483 N HN 0.643 nan 8.380 nan 0.000 0.484 484 D N 1.242 121.657 120.400 0.024 0.000 2.857 484 D HA 0.320 4.956 4.640 -0.006 0.000 0.227 484 D C -1.162 175.208 176.300 0.117 0.000 1.192 484 D CA -0.550 53.516 54.000 0.109 0.000 0.857 484 D CB 1.997 42.808 40.800 0.018 0.000 1.645 484 D HN 0.346 nan 8.370 nan 0.000 0.482 485 M N 1.874 121.587 119.600 0.187 0.000 2.395 485 M HA 0.508 4.985 4.480 -0.006 0.000 0.307 485 M C -2.137 174.199 176.300 0.060 0.000 1.091 485 M CA -0.718 54.670 55.300 0.147 0.000 0.919 485 M CB 1.799 34.560 32.600 0.267 0.000 1.662 485 M HN 0.407 nan 8.290 nan 0.000 0.440 486 I N 5.040 125.563 120.570 -0.079 0.000 2.418 486 I HA 0.466 4.632 4.170 -0.006 0.000 0.287 486 I C -0.990 174.963 176.117 -0.274 0.000 1.008 486 I CA -0.549 60.570 61.300 -0.301 0.000 1.104 486 I CB 2.002 39.709 38.000 -0.489 0.000 1.264 486 I HN 0.357 nan 8.210 nan 0.000 0.438 487 V N 6.513 126.250 119.914 -0.295 0.000 2.378 487 V HA 0.434 4.550 4.120 -0.006 0.000 0.288 487 V C -0.582 175.339 176.094 -0.290 0.000 1.016 487 V CA -0.555 61.650 62.300 -0.158 0.000 0.840 487 V CB 1.091 32.947 31.823 0.055 0.000 0.994 487 V HN 0.348 nan 8.190 nan 0.000 0.431 488 F N 2.271 122.188 119.950 -0.054 0.000 2.421 488 F HA 0.433 4.956 4.527 -0.006 0.000 0.337 488 F C 1.264 177.050 175.800 -0.023 0.000 1.105 488 F CA -0.501 57.464 58.000 -0.058 0.000 1.049 488 F CB 1.781 40.745 39.000 -0.060 0.000 1.139 488 F HN 0.623 nan 8.300 nan 0.000 0.479 489 S N 2.513 118.338 115.700 0.209 0.000 3.405 489 S HA -0.137 4.330 4.470 -0.006 0.000 0.373 489 S C -2.587 172.059 174.600 0.077 0.000 0.939 489 S CA -0.517 57.755 58.200 0.118 0.000 1.295 489 S CB -1.945 61.317 63.200 0.103 0.000 0.919 489 S HN 0.333 nan 8.310 nan 0.000 0.535 490 P HA 0.119 nan 4.420 nan 0.000 0.267 490 P C 1.352 178.678 177.300 0.042 0.000 1.209 490 P CA 0.035 63.163 63.100 0.047 0.000 0.763 490 P CB 0.547 32.271 31.700 0.041 0.000 0.816 491 T N -1.164 113.414 114.554 0.039 0.000 3.007 491 T HA -0.117 4.230 4.350 -0.006 0.000 0.270 491 T C 1.244 175.963 174.700 0.030 0.000 1.107 491 T CA 1.567 63.686 62.100 0.032 0.000 1.118 491 T CB -1.133 67.751 68.868 0.026 0.000 0.889 491 T HN 0.477 nan 8.240 nan 0.000 0.506 492 T N -1.026 113.549 114.554 0.034 0.000 3.188 492 T HA 0.414 4.761 4.350 -0.006 0.000 0.250 492 T C 0.444 175.167 174.700 0.038 0.000 1.077 492 T CA -0.055 62.066 62.100 0.035 0.000 0.967 492 T CB -0.232 68.659 68.868 0.039 0.000 1.006 492 T HN 0.446 nan 8.240 nan 0.000 0.552 493 S N 0.394 116.114 115.700 0.034 0.000 2.625 493 S HA 0.449 4.915 4.470 -0.006 0.000 0.271 493 S C -0.681 173.936 174.600 0.027 0.000 1.161 493 S CA -0.280 57.939 58.200 0.031 0.000 0.820 493 S CB 1.485 64.703 63.200 0.029 0.000 1.137 493 S HN 0.217 nan 8.310 nan 0.000 0.470 494 D N 0.404 120.819 120.400 0.025 0.000 2.367 494 D HA 0.148 4.784 4.640 -0.006 0.000 0.207 494 D C 0.367 176.683 176.300 0.026 0.000 1.034 494 D CA 0.041 54.056 54.000 0.024 0.000 0.861 494 D CB -0.121 40.691 40.800 0.021 0.000 0.943 494 D HN 0.326 nan 8.370 nan 0.000 0.515 495 R N 1.524 122.037 120.500 0.022 0.000 2.491 495 R HA 0.139 4.476 4.340 -0.006 0.000 0.283 495 R C -1.581 174.733 176.300 0.023 0.000 1.072 495 R CA -0.980 55.132 56.100 0.020 0.000 1.048 495 R CB 0.337 30.639 30.300 0.004 0.000 0.983 495 R HN 0.093 nan 8.270 nan 0.000 0.450 496 P HA -0.050 nan 4.420 nan 0.000 0.223 496 P C 0.100 177.448 177.300 0.079 0.000 1.151 496 P CA 0.883 64.031 63.100 0.080 0.000 0.787 496 P CB 0.355 32.123 31.700 0.112 0.000 0.788 497 V N -1.043 118.850 119.914 -0.034 0.000 3.007 497 V HA 0.482 4.598 4.120 -0.006 0.000 0.311 497 V C -0.481 175.424 176.094 -0.316 0.000 1.120 497 V CA -0.904 61.242 62.300 -0.257 0.000 0.980 497 V CB 2.727 34.294 31.823 -0.426 0.000 1.033 497 V HN -0.212 nan 8.190 nan 0.000 0.429 498 L N 1.956 122.893 121.223 -0.475 0.000 2.455 498 L HA 0.936 5.273 4.340 -0.006 0.000 0.264 498 L C -0.421 175.955 176.870 -0.822 0.000 0.968 498 L CA -0.556 53.909 54.840 -0.625 0.000 0.827 498 L CB 2.207 43.946 42.059 -0.533 0.000 1.317 498 L HN 0.934 nan 8.230 nan 0.000 0.407 499 A N 2.702 124.920 122.820 -1.004 0.000 2.539 499 A HA 0.896 5.212 4.320 -0.006 0.000 0.296 499 A C -1.946 175.163 177.584 -0.791 0.000 1.073 499 A CA -0.487 51.136 52.037 -0.690 0.000 0.700 499 A CB 1.760 20.449 19.000 -0.519 0.000 1.296 499 A HN 0.692 nan 8.150 nan 0.000 0.405 500 W N 0.437 121.546 121.300 -0.319 0.000 3.032 500 W HA 0.557 5.214 4.660 -0.005 0.000 0.341 500 W C -0.988 175.399 176.519 -0.221 0.000 1.202 500 W CA -0.175 56.965 57.345 -0.341 0.000 1.132 500 W CB 2.250 31.442 29.460 -0.447 0.000 1.465 500 W HN 1.028 nan 8.180 nan 0.000 0.576 501 D N -1.108 119.324 120.400 0.054 0.000 2.838 501 D HA 0.504 5.141 4.640 -0.006 0.000 0.334 501 D C -1.898 174.457 176.300 0.093 0.000 1.315 501 D CA -0.557 53.493 54.000 0.083 0.000 0.917 501 D CB 1.853 42.669 40.800 0.026 0.000 1.435 501 D HN 0.187 nan 8.370 nan 0.000 0.517 502 V N -0.281 119.710 119.914 0.128 0.000 2.775 502 V HA 0.493 4.609 4.120 -0.006 0.000 0.295 502 V C -1.929 174.241 176.094 0.127 0.000 1.226 502 V CA -0.433 61.956 62.300 0.148 0.000 0.934 502 V CB 1.530 33.512 31.823 0.266 0.000 1.056 502 V HN 0.611 nan 8.190 nan 0.000 0.436 503 V N 7.192 127.138 119.914 0.053 0.000 2.327 503 V HA 0.816 4.933 4.120 -0.006 0.000 0.272 503 V C 0.538 176.615 176.094 -0.029 0.000 1.019 503 V CA 0.205 62.512 62.300 0.012 0.000 0.814 503 V CB 1.218 33.020 31.823 -0.035 0.000 1.040 503 V HN 1.172 nan 8.190 nan 0.000 0.440 504 A N 5.970 128.756 122.820 -0.057 0.000 2.312 504 A HA 0.858 5.174 4.320 -0.006 0.000 0.328 504 A C -1.708 175.737 177.584 -0.231 0.000 1.158 504 A CA -1.619 50.310 52.037 -0.180 0.000 0.821 504 A CB 1.278 20.122 19.000 -0.259 0.000 1.170 504 A HN 0.556 nan 8.150 nan 0.000 0.490 505 P HA 0.113 nan 4.420 nan 0.000 0.217 505 P C 0.729 177.889 177.300 -0.233 0.000 1.151 505 P CA 1.660 64.511 63.100 -0.415 0.000 0.828 505 P CB 0.259 31.651 31.700 -0.513 0.000 0.788 506 G N -1.974 106.720 108.800 -0.177 0.000 2.548 506 G HA2 0.217 4.173 3.960 -0.006 0.000 0.301 506 G HA3 0.217 4.173 3.960 -0.006 0.000 0.301 506 G C -0.264 174.595 174.900 -0.069 0.000 1.349 506 G CA -0.173 44.877 45.100 -0.083 0.000 0.792 506 G HN -0.137 nan 8.290 nan 0.000 0.481 507 Q N -0.031 119.736 119.800 -0.056 0.000 2.124 507 Q HA 0.075 4.412 4.340 -0.006 0.000 0.202 507 Q C 1.423 177.422 176.000 -0.001 0.000 0.977 507 Q CA 2.033 57.772 55.803 -0.106 0.000 0.850 507 Q CB -0.165 28.467 28.738 -0.177 0.000 0.901 507 Q HN 0.605 nan 8.270 nan 0.000 0.429 508 S N -1.911 113.851 115.700 0.103 0.000 2.608 508 S HA 0.624 5.091 4.470 -0.006 0.000 0.291 508 S C 0.432 175.154 174.600 0.204 0.000 1.146 508 S CA -0.342 57.975 58.200 0.194 0.000 1.043 508 S CB 1.455 64.823 63.200 0.279 0.000 1.037 508 S HN 0.391 nan 8.310 nan 0.000 0.520 509 G N 2.423 111.374 108.800 0.251 0.000 3.519 509 G HA2 0.220 4.176 3.960 -0.006 0.000 0.269 509 G HA3 0.220 4.176 3.960 -0.006 0.000 0.269 509 G C -0.272 174.858 174.900 0.383 0.000 1.028 509 G CA -0.328 44.937 45.100 0.276 0.000 0.809 509 G HN 0.595 nan 8.290 nan 0.000 0.521 510 F N 1.857 121.938 119.950 0.217 0.000 2.456 510 F HA 0.613 5.137 4.527 -0.004 0.000 0.358 510 F C -0.202 175.623 175.800 0.041 0.000 1.095 510 F CA -1.439 56.632 58.000 0.118 0.000 1.216 510 F CB 0.612 39.663 39.000 0.084 0.000 1.125 510 F HN -0.149 nan 8.300 nan 0.000 0.549 511 I N 6.482 126.532 120.570 -0.866 0.000 2.447 511 I HA 0.411 4.578 4.170 -0.006 0.000 0.287 511 I C 0.027 175.442 176.117 -1.171 0.000 1.023 511 I CA -0.956 59.833 61.300 -0.852 0.000 1.083 511 I CB 1.418 39.145 38.000 -0.455 0.000 1.245 511 I HN 0.785 nan 8.210 nan 0.000 0.434 512 A N 8.002 130.231 122.820 -0.985 0.000 2.366 512 A HA 0.394 4.710 4.320 -0.006 0.000 0.250 512 A C -1.637 175.802 177.584 -0.243 0.000 1.099 512 A CA -0.833 50.909 52.037 -0.493 0.000 0.794 512 A CB -0.329 18.595 19.000 -0.126 0.000 1.056 512 A HN 0.580 nan 8.150 nan 0.000 0.499 513 P HA -0.125 nan 4.420 nan 0.000 0.218 513 P C 0.473 177.740 177.300 -0.056 0.000 1.149 513 P CA 1.556 64.629 63.100 -0.046 0.000 0.817 513 P CB -0.078 31.626 31.700 0.007 0.000 0.785 514 D N -1.545 118.822 120.400 -0.056 0.000 2.363 514 D HA 0.054 4.690 4.640 -0.006 0.000 0.226 514 D C 1.384 177.637 176.300 -0.079 0.000 1.020 514 D CA 0.757 54.725 54.000 -0.053 0.000 0.892 514 D CB -0.963 39.816 40.800 -0.035 0.000 0.900 514 D HN 0.253 nan 8.370 nan 0.000 0.531 515 G N -0.598 108.128 108.800 -0.123 0.000 2.157 515 G HA2 -0.234 3.723 3.960 -0.006 0.000 0.239 515 G HA3 -0.234 3.723 3.960 -0.006 0.000 0.239 515 G C 0.205 175.000 174.900 -0.175 0.000 0.982 515 G CA 0.181 45.194 45.100 -0.145 0.000 0.650 515 G HN 0.427 nan 8.290 nan 0.000 0.527 516 T N 1.187 115.636 114.554 -0.175 0.000 2.761 516 T HA 0.493 4.839 4.350 -0.006 0.000 0.296 516 T C 0.524 175.070 174.700 -0.257 0.000 0.934 516 T CA -0.201 61.800 62.100 -0.166 0.000 1.091 516 T CB 2.346 71.156 68.868 -0.097 0.000 0.896 516 T HN 0.318 nan 8.240 nan 0.000 0.515 517 V N 3.814 123.564 119.914 -0.273 0.000 2.546 517 V HA 0.126 4.242 4.120 -0.006 0.000 0.284 517 V C 0.726 176.704 176.094 -0.193 0.000 1.050 517 V CA -0.605 61.458 62.300 -0.394 0.000 0.981 517 V CB 1.462 32.964 31.823 -0.536 0.000 0.990 517 V HN 0.924 nan 8.190 nan 0.000 0.474 518 D N 3.033 123.380 120.400 -0.088 0.000 2.443 518 D HA -0.065 4.571 4.640 -0.006 0.000 0.234 518 D C 1.375 177.702 176.300 0.046 0.000 1.172 518 D CA 0.577 54.636 54.000 0.098 0.000 0.878 518 D CB 0.583 41.542 40.800 0.266 0.000 1.204 518 D HN 0.663 nan 8.370 nan 0.000 0.453 519 K N 1.848 122.232 120.400 -0.028 0.000 2.209 519 K HA -0.178 4.139 4.320 -0.006 0.000 0.204 519 K C 0.470 176.932 176.600 -0.231 0.000 1.048 519 K CA 1.158 57.339 56.287 -0.177 0.000 0.940 519 K CB 0.053 32.367 32.500 -0.310 0.000 0.729 519 K HN 0.519 nan 8.250 nan 0.000 0.451 520 H N -0.536 118.606 119.070 0.120 0.000 2.488 520 H HA 0.028 4.581 4.556 -0.006 0.000 0.294 520 H C 0.044 175.445 175.328 0.123 0.000 1.088 520 H CA -0.233 55.874 56.048 0.097 0.000 1.086 520 H CB 0.119 29.923 29.762 0.069 0.000 1.569 520 H HN 0.318 nan 8.280 nan 0.000 0.548 521 Y N 2.147 122.498 120.300 0.085 0.000 2.395 521 Y HA -0.083 4.463 4.550 -0.006 0.000 0.293 521 Y C 1.104 177.007 175.900 0.006 0.000 1.123 521 Y CA 1.359 59.486 58.100 0.044 0.000 1.227 521 Y CB 0.805 39.275 38.460 0.017 0.000 1.012 521 Y HN 0.327 nan 8.280 nan 0.000 0.552 522 E N -1.526 118.723 120.200 0.083 0.000 2.904 522 E HA 0.042 4.389 4.350 -0.006 0.000 0.162 522 E C -0.094 176.505 176.600 -0.001 0.000 0.909 522 E CA 0.363 56.739 56.400 -0.041 0.000 1.368 522 E CB -0.544 29.169 29.700 0.021 0.000 1.007 522 E HN 0.408 nan 8.360 nan 0.000 0.451 523 D N 0.902 121.332 120.400 0.049 0.000 2.336 523 D HA -0.087 4.550 4.640 -0.006 0.000 0.229 523 D C 1.177 177.502 176.300 0.041 0.000 1.061 523 D CA 0.165 54.205 54.000 0.066 0.000 0.875 523 D CB 0.249 41.129 40.800 0.133 0.000 0.904 523 D HN 0.324 nan 8.370 nan 0.000 0.525 524 Q N -0.678 119.123 119.800 0.001 0.000 2.189 524 Q HA 0.168 4.504 4.340 -0.006 0.000 0.223 524 Q C 1.450 177.450 176.000 0.000 0.000 0.828 524 Q CA -0.308 55.500 55.803 0.008 0.000 0.967 524 Q CB 0.564 29.300 28.738 -0.003 0.000 1.139 524 Q HN 0.096 nan 8.270 nan 0.000 0.497 525 L N 1.214 122.399 121.223 -0.062 0.000 2.056 525 L HA -0.146 4.190 4.340 -0.006 0.000 0.207 525 L C 1.898 178.775 176.870 0.011 0.000 1.078 525 L CA 1.814 56.591 54.840 -0.105 0.000 0.749 525 L CB -0.004 41.930 42.059 -0.209 0.000 0.901 525 L HN -0.059 nan 8.230 nan 0.000 0.433 526 K N -1.021 119.392 120.400 0.022 0.000 2.167 526 K HA -0.098 4.219 4.320 -0.006 0.000 0.203 526 K C 2.047 178.677 176.600 0.049 0.000 1.052 526 K CA 1.429 57.738 56.287 0.037 0.000 0.956 526 K CB -0.437 32.080 32.500 0.029 0.000 0.735 526 K HN 0.404 nan 8.250 nan 0.000 0.451 527 M N -0.106 119.531 119.600 0.062 0.000 2.108 527 M HA -0.251 4.225 4.480 -0.006 0.000 0.261 527 M C 2.138 178.488 176.300 0.082 0.000 1.066 527 M CA 1.675 57.017 55.300 0.069 0.000 1.107 527 M CB -0.270 32.375 32.600 0.075 0.000 1.356 527 M HN 0.058 nan 8.290 nan 0.000 0.406 528 Y N 1.169 121.464 120.300 -0.007 0.000 2.097 528 Y HA -0.319 4.227 4.550 -0.006 0.000 0.282 528 Y C 2.411 178.219 175.900 -0.154 0.000 1.152 528 Y CA 2.573 60.665 58.100 -0.014 0.000 1.136 528 Y CB -0.633 37.868 38.460 0.068 0.000 0.975 528 Y HN 0.481 nan 8.280 nan 0.000 0.498 529 E N -0.132 120.048 120.200 -0.035 0.000 2.085 529 E HA -0.226 4.120 4.350 -0.006 0.000 0.194 529 E C 0.869 177.254 176.600 -0.358 0.000 0.994 529 E CA 1.570 57.850 56.400 -0.201 0.000 0.801 529 E CB -0.365 29.326 29.700 -0.015 0.000 0.743 529 E HN 0.629 nan 8.360 nan 0.000 0.453 530 N N 0.027 118.619 118.700 -0.180 0.000 2.313 530 N HA -0.017 4.720 4.740 -0.006 0.000 0.207 530 N C -0.380 175.156 175.510 0.044 0.000 1.141 530 N CA 0.334 53.352 53.050 -0.053 0.000 0.830 530 N CB 0.087 38.605 38.487 0.052 0.000 1.008 530 N HN 0.154 nan 8.380 nan 0.000 0.481 531 F N -0.601 119.345 119.950 -0.007 0.000 3.018 531 F HA -0.195 4.328 4.527 -0.006 0.000 0.287 531 F C 1.298 177.249 175.800 0.252 0.000 0.813 531 F CA 0.446 58.502 58.000 0.093 0.000 1.209 531 F CB -1.878 37.161 39.000 0.065 0.000 1.321 531 F HN 0.138 nan 8.300 nan 0.000 0.477 532 G N 0.178 109.096 108.800 0.198 0.000 2.543 532 G HA2 0.755 4.712 3.960 -0.006 0.000 0.290 532 G HA3 0.755 4.712 3.960 -0.006 0.000 0.290 532 G C -0.139 174.797 174.900 0.061 0.000 1.310 532 G CA -0.267 44.888 45.100 0.091 0.000 1.025 532 G HN 0.478 nan 8.290 nan 0.000 0.502 533 R N -1.442 118.988 120.500 -0.116 0.000 2.690 533 R HA 0.519 4.856 4.340 -0.006 0.000 0.269 533 R C -1.130 175.133 176.300 -0.062 0.000 1.037 533 R CA -1.117 54.898 56.100 -0.142 0.000 0.877 533 R CB 1.382 31.332 30.300 -0.583 0.000 1.255 533 R HN 0.671 nan 8.270 nan 0.000 0.467 534 K N 1.063 121.461 120.400 -0.003 0.000 2.208 534 K HA 0.475 4.791 4.320 -0.006 0.000 0.247 534 K C -0.800 175.726 176.600 -0.124 0.000 0.953 534 K CA -0.768 55.499 56.287 -0.034 0.000 0.837 534 K CB 2.180 34.638 32.500 -0.070 0.000 1.131 534 K HN 0.478 nan 8.250 nan 0.000 0.431 535 S N 1.838 117.293 115.700 -0.408 0.000 2.564 535 S HA 0.193 4.660 4.470 -0.006 0.000 0.278 535 S C -0.116 173.782 174.600 -1.170 0.000 1.333 535 S CA -0.605 56.982 58.200 -1.022 0.000 1.048 535 S CB 0.127 62.424 63.200 -1.504 0.000 0.900 535 S HN 0.409 nan 8.310 nan 0.000 0.505 536 L N 3.039 123.634 121.223 -1.047 0.000 2.295 536 L HA 0.454 4.790 4.340 -0.006 0.000 0.285 536 L C -0.730 175.696 176.870 -0.739 0.000 1.035 536 L CA -0.445 53.957 54.840 -0.729 0.000 0.806 536 L CB 0.843 42.686 42.059 -0.360 0.000 1.214 536 L HN 0.700 nan 8.230 nan 0.000 0.426 537 W N 3.937 125.149 121.300 -0.146 0.000 2.516 537 W HA 0.443 5.099 4.660 -0.006 0.000 0.343 537 W C 0.442 176.944 176.519 -0.029 0.000 1.094 537 W CA -0.645 56.630 57.345 -0.117 0.000 1.250 537 W CB 1.472 30.864 29.460 -0.114 0.000 1.308 537 W HN 0.359 nan 8.180 nan 0.000 0.588 538 L N 1.118 122.497 121.223 0.260 0.000 2.664 538 L HA 0.221 4.558 4.340 -0.006 0.000 0.198 538 L C 1.323 178.251 176.870 0.097 0.000 1.057 538 L CA 0.761 55.712 54.840 0.184 0.000 0.871 538 L CB -0.478 41.669 42.059 0.148 0.000 1.364 538 L HN 0.371 nan 8.230 nan 0.000 0.483 539 T N -1.956 112.644 114.554 0.077 0.000 2.856 539 T HA 0.082 4.428 4.350 -0.006 0.000 0.306 539 T C 1.066 175.721 174.700 -0.074 0.000 1.062 539 T CA -0.100 61.999 62.100 -0.001 0.000 1.083 539 T CB 0.726 69.604 68.868 0.016 0.000 0.984 539 T HN 0.251 nan 8.240 nan 0.000 0.542 540 K N 0.444 120.780 120.400 -0.107 0.000 2.032 540 K HA -0.191 4.125 4.320 -0.006 0.000 0.209 540 K C 2.450 178.987 176.600 -0.105 0.000 1.048 540 K CA 1.748 57.959 56.287 -0.127 0.000 0.927 540 K CB -0.236 32.206 32.500 -0.096 0.000 0.712 540 K HN 0.795 nan 8.250 nan 0.000 0.441 541 Q N 0.893 120.640 119.800 -0.087 0.000 2.061 541 Q HA -0.212 4.124 4.340 -0.006 0.000 0.204 541 Q C 1.358 177.268 176.000 -0.150 0.000 0.984 541 Q CA 1.829 57.571 55.803 -0.101 0.000 0.846 541 Q CB 0.054 28.746 28.738 -0.076 0.000 0.902 541 Q HN 0.243 nan 8.270 nan 0.000 0.421 542 D N -0.352 119.957 120.400 -0.151 0.000 2.117 542 D HA -0.125 4.512 4.640 -0.006 0.000 0.197 542 D C 2.018 178.111 176.300 -0.344 0.000 0.987 542 D CA 1.080 54.907 54.000 -0.288 0.000 0.829 542 D CB -0.097 40.572 40.800 -0.219 0.000 0.961 542 D HN 0.145 nan 8.370 nan 0.000 0.460 543 V N 1.645 121.449 119.914 -0.183 0.000 2.295 543 V HA -0.191 3.925 4.120 -0.006 0.000 0.246 543 V C 2.430 178.447 176.094 -0.129 0.000 1.049 543 V CA 1.487 63.715 62.300 -0.120 0.000 1.024 543 V CB -0.351 31.436 31.823 -0.060 0.000 0.648 543 V HN 0.110 nan 8.190 nan 0.000 0.447 544 E N 0.479 120.599 120.200 -0.134 0.000 2.051 544 E HA -0.190 4.157 4.350 -0.006 0.000 0.192 544 E C 2.383 178.876 176.600 -0.178 0.000 0.991 544 E CA 1.568 57.894 56.400 -0.123 0.000 0.799 544 E CB -0.601 29.034 29.700 -0.108 0.000 0.748 544 E HN 0.563 nan 8.360 nan 0.000 0.449 545 A N 1.111 123.772 122.820 -0.266 0.000 2.024 545 A HA -0.169 4.147 4.320 -0.006 0.000 0.220 545 A C 1.498 178.714 177.584 -0.614 0.000 1.164 545 A CA 1.274 53.049 52.037 -0.436 0.000 0.643 545 A CB -0.503 18.165 19.000 -0.553 0.000 0.806 545 A HN 0.266 nan 8.150 nan 0.000 0.451 546 H N -1.160 117.707 119.070 -0.339 0.000 2.486 546 H HA 0.175 4.728 4.556 -0.006 0.000 0.284 546 H C 0.120 175.390 175.328 -0.095 0.000 1.103 546 H CA -0.145 55.763 56.048 -0.234 0.000 1.089 546 H CB 0.011 29.545 29.762 -0.380 0.000 1.603 546 H HN 0.527 nan 8.280 nan 0.000 0.557 547 K N 2.189 122.573 120.400 -0.028 0.000 2.326 547 K HA -0.005 4.312 4.320 -0.006 0.000 0.275 547 K C 0.955 177.573 176.600 0.031 0.000 1.018 547 K CA -0.005 56.288 56.287 0.010 0.000 0.962 547 K CB 0.841 33.329 32.500 -0.019 0.000 0.953 547 K HN 0.409 nan 8.250 nan 0.000 0.475 548 E N 1.489 121.725 120.200 0.060 0.000 2.434 548 E HA 0.072 4.419 4.350 -0.006 0.000 0.207 548 E C -0.431 176.204 176.600 0.057 0.000 0.929 548 E CA -0.332 56.111 56.400 0.071 0.000 1.001 548 E CB 0.535 30.306 29.700 0.119 0.000 1.016 548 E HN 0.513 nan 8.360 nan 0.000 0.502 549 S N -0.526 115.204 115.700 0.050 0.000 2.611 549 S HA 0.386 4.852 4.470 -0.006 0.000 0.268 549 S C -1.399 173.219 174.600 0.030 0.000 1.156 549 S CA -1.015 57.209 58.200 0.040 0.000 0.817 549 S CB 1.915 65.144 63.200 0.049 0.000 1.122 549 S HN 0.144 nan 8.310 nan 0.000 0.466 550 Q N -0.037 119.776 119.800 0.023 0.000 2.345 550 Q HA 0.602 4.939 4.340 -0.006 0.000 0.275 550 Q C -1.996 174.012 176.000 0.012 0.000 1.063 550 Q CA -0.330 55.482 55.803 0.016 0.000 0.819 550 Q CB 2.195 30.938 28.738 0.009 0.000 1.356 550 Q HN 0.822 nan 8.270 nan 0.000 0.418 551 E N 2.394 122.598 120.200 0.007 0.000 2.275 551 E HA 0.541 4.887 4.350 -0.006 0.000 0.270 551 E C -1.806 174.783 176.600 -0.017 0.000 0.882 551 E CA -0.672 55.728 56.400 -0.000 0.000 0.758 551 E CB 2.101 31.801 29.700 -0.000 0.000 1.195 551 E HN 0.386 nan 8.360 nan 0.000 0.419 552 V N 5.359 125.258 119.914 -0.025 0.000 2.555 552 V HA 0.491 4.607 4.120 -0.006 0.000 0.302 552 V C -0.349 175.671 176.094 -0.125 0.000 1.038 552 V CA -0.660 61.589 62.300 -0.085 0.000 0.887 552 V CB 1.489 33.272 31.823 -0.067 0.000 0.991 552 V HN 0.623 nan 8.190 nan 0.000 0.434 553 L N 3.979 125.073 121.223 -0.214 0.000 2.342 553 L HA 0.653 4.989 4.340 -0.006 0.000 0.271 553 L C -1.052 175.603 176.870 -0.358 0.000 1.008 553 L CA -0.757 53.983 54.840 -0.167 0.000 0.818 553 L CB 2.017 44.028 42.059 -0.080 0.000 1.296 553 L HN 0.641 nan 8.230 nan 0.000 0.427 554 H N 0.984 120.058 119.070 0.006 0.000 2.800 554 H HA 0.647 5.204 4.556 0.002 0.000 0.322 554 H C -1.147 174.184 175.328 0.005 0.000 0.979 554 H CA -0.412 55.640 56.048 0.007 0.000 1.277 554 H CB 1.817 31.583 29.762 0.006 0.000 1.484 554 H HN 0.197 nan 8.280 nan 0.000 0.512 555 V N 2.877 122.840 119.914 0.081 0.000 2.841 555 V HA 0.373 4.489 4.120 -0.006 0.000 0.310 555 V C -0.785 175.335 176.094 0.044 0.000 1.090 555 V CA -0.868 61.462 62.300 0.050 0.000 0.930 555 V CB 2.243 34.078 31.823 0.021 0.000 1.014 555 V HN 0.558 nan 8.190 nan 0.000 0.425 556 Q N 2.067 121.888 119.800 0.035 0.000 2.375 556 Q HA 0.537 4.874 4.340 -0.006 0.000 0.271 556 Q C -0.433 175.578 176.000 0.018 0.000 1.074 556 Q CA -0.632 55.187 55.803 0.027 0.000 0.808 556 Q CB 2.512 31.267 28.738 0.028 0.000 1.327 556 Q HN 0.799 nan 8.270 nan 0.000 0.441 557 R N 0.000 120.509 120.500 0.015 0.000 2.786 557 R HA 0.000 4.336 4.340 -0.006 0.000 0.208 557 R CA 0.000 56.106 56.100 0.011 0.000 0.921 557 R CB 0.000 30.306 30.300 0.011 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535