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 1gm9_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 KNWQEWTQQA AKQALTINWY YADVNGNIGY VHTGAYPDRQ DATA SEQUENCE SGHDPRLPVP GTGKWDWKGL LPFEMNPKVY NPQSGYIANW NNSPQKDYPA DATA SEQUENCE SDLFAFLWGG ADRVTEIDRL LEQKPRLTAD QAWDVIRQTS RQDLNLRLFL DATA SEQUENCE PTLQAATSGL TQSDPRRQLV ETLTRWDGIN LLNDDGKTWQ QPGSAILNVW DATA SEQUENCE LTSMLKRTVV AAVPMPFDKW YSASGYETTQ DGPTGSLNIS VGAKILYEAV DATA SEQUENCE QGDKSPIPQA VDLFAGKPQQ EVVLAALEDT WETLSKRYGN NVSNWKTPAM DATA SEQUENCE ALTFRANNFF GVPQAAAEET RHQAEYQNRG TENDMIVFSP TTSDRPVLAW DATA SEQUENCE DVVAPGQSGF IAPDGTVDKH YEDQLKMYEN FGRKSLWLTK QDVEAHKESQ DATA SEQUENCE EVLHVQR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.685 174.600 0.142 0.000 1.055 1 S CA 0.000 58.281 58.200 0.135 0.000 1.107 1 S CB 0.000 63.239 63.200 0.065 0.000 0.593 2 N N 0.630 119.196 118.700 -0.224 0.000 2.402 2 N HA 0.896 5.653 4.740 0.028 0.000 0.294 2 N C -0.855 174.446 175.510 -0.348 0.000 1.203 2 N CA -0.903 51.931 53.050 -0.359 0.000 0.838 2 N CB 1.098 39.075 38.487 -0.851 0.000 1.306 2 N HN 0.583 nan 8.380 nan 0.000 0.510 3 M N -0.039 119.389 119.600 -0.286 0.000 2.365 3 M HA 0.601 5.098 4.480 0.028 0.000 0.288 3 M C -2.523 173.678 176.300 -0.165 0.000 1.152 3 M CA -0.401 54.607 55.300 -0.486 0.000 0.948 3 M CB 1.550 33.714 32.600 -0.727 0.000 1.729 3 M HN 0.787 nan 8.290 nan 0.000 0.487 4 W N 3.813 124.972 121.300 -0.236 0.000 2.900 4 W HA 0.783 5.457 4.660 0.024 0.000 0.336 4 W C -2.048 174.422 176.519 -0.081 0.000 1.064 4 W CA -1.253 56.008 57.345 -0.141 0.000 1.237 4 W CB 0.593 29.957 29.460 -0.160 0.000 1.391 4 W HN 0.492 nan 8.180 nan 0.000 0.468 5 V N 4.861 124.868 119.914 0.155 0.000 2.384 5 V HA 0.452 4.589 4.120 0.028 0.000 0.287 5 V C -0.159 176.051 176.094 0.194 0.000 1.020 5 V CA -0.995 61.386 62.300 0.136 0.000 0.850 5 V CB 1.165 33.090 31.823 0.170 0.000 0.987 5 V HN 0.603 nan 8.190 nan 0.000 0.436 6 I N 4.315 124.980 120.570 0.158 0.000 2.330 6 I HA 0.602 4.789 4.170 0.028 0.000 0.289 6 I C 1.010 177.191 176.117 0.107 0.000 1.001 6 I CA -0.032 61.355 61.300 0.146 0.000 1.193 6 I CB 1.516 39.586 38.000 0.117 0.000 1.345 6 I HN 0.725 nan 8.210 nan 0.000 0.461 7 G N 3.945 112.799 108.800 0.091 0.000 2.557 7 G HA2 0.198 4.175 3.960 0.028 0.000 0.292 7 G HA3 0.198 4.175 3.960 0.028 0.000 0.292 7 G C 0.681 175.600 174.900 0.030 0.000 1.237 7 G CA -0.497 44.627 45.100 0.041 0.000 0.978 7 G HN 0.698 nan 8.290 nan 0.000 0.498 8 K N -0.722 119.680 120.400 0.003 0.000 2.089 8 K HA -0.204 4.133 4.320 0.028 0.000 0.210 8 K C 2.498 179.102 176.600 0.007 0.000 1.048 8 K CA 2.195 58.484 56.287 0.003 0.000 0.926 8 K CB -0.216 32.274 32.500 -0.016 0.000 0.714 8 K HN 0.468 nan 8.250 nan 0.000 0.448 9 S N -0.770 114.932 115.700 0.003 0.000 2.561 9 S HA 0.067 4.554 4.470 0.028 0.000 0.225 9 S C 1.365 175.978 174.600 0.021 0.000 0.977 9 S CA 0.324 58.528 58.200 0.007 0.000 0.926 9 S CB 0.304 63.503 63.200 -0.001 0.000 0.769 9 S HN 0.158 nan 8.310 nan 0.000 0.533 10 K N 0.620 121.041 120.400 0.034 0.000 2.440 10 K HA 0.471 4.808 4.320 0.028 0.000 0.207 10 K C 0.329 176.943 176.600 0.023 0.000 1.112 10 K CA 0.318 56.627 56.287 0.037 0.000 1.036 10 K CB 1.090 33.635 32.500 0.075 0.000 0.935 10 K HN 0.418 nan 8.250 nan 0.000 0.564 11 A N 1.497 124.334 122.820 0.029 0.000 2.310 11 A HA 0.409 4.746 4.320 0.028 0.000 0.299 11 A C -0.404 177.191 177.584 0.017 0.000 1.147 11 A CA -0.162 51.892 52.037 0.028 0.000 0.818 11 A CB 0.788 19.813 19.000 0.043 0.000 1.096 11 A HN 0.063 nan 8.150 nan 0.000 0.495 12 Q N 1.135 120.941 119.800 0.011 0.000 2.293 12 Q HA 0.437 4.795 4.340 0.028 0.000 0.261 12 Q C -0.756 175.250 176.000 0.010 0.000 0.960 12 Q CA 0.158 55.964 55.803 0.005 0.000 0.882 12 Q CB 0.852 29.587 28.738 -0.006 0.000 1.275 12 Q HN 0.718 nan 8.270 nan 0.000 0.445 13 D N 1.337 121.744 120.400 0.012 0.000 3.012 13 D HA -0.202 4.455 4.640 0.028 0.000 0.222 13 D C -1.079 175.236 176.300 0.026 0.000 1.167 13 D CA 1.452 55.461 54.000 0.015 0.000 0.854 13 D CB -1.332 39.474 40.800 0.010 0.000 1.107 13 D HN 0.655 nan 8.370 nan 0.000 0.421 14 A N -1.217 121.622 122.820 0.032 0.000 2.586 14 A HA 0.526 4.863 4.320 0.028 0.000 0.291 14 A C 0.439 178.054 177.584 0.051 0.000 1.062 14 A CA -0.612 51.452 52.037 0.046 0.000 0.666 14 A CB 1.138 20.169 19.000 0.050 0.000 1.281 14 A HN -0.107 nan 8.150 nan 0.000 0.421 15 K N -0.201 120.241 120.400 0.069 0.000 2.284 15 K HA 0.457 4.794 4.320 0.028 0.000 0.198 15 K C 0.505 177.149 176.600 0.073 0.000 1.048 15 K CA 1.306 57.628 56.287 0.059 0.000 0.987 15 K CB 0.521 33.052 32.500 0.053 0.000 0.800 15 K HN 0.996 nan 8.250 nan 0.000 0.486 16 A N 1.051 123.946 122.820 0.125 0.000 2.594 16 A HA 0.627 4.964 4.320 0.028 0.000 0.296 16 A C -1.559 176.114 177.584 0.148 0.000 1.061 16 A CA -0.736 51.383 52.037 0.137 0.000 0.689 16 A CB 1.177 20.268 19.000 0.152 0.000 1.280 16 A HN 0.085 nan 8.150 nan 0.000 0.406 17 I N 1.808 122.444 120.570 0.111 0.000 2.534 17 I HA 0.523 4.711 4.170 0.028 0.000 0.288 17 I C -0.428 175.722 176.117 0.055 0.000 1.077 17 I CA -0.250 61.094 61.300 0.073 0.000 1.051 17 I CB 2.195 40.243 38.000 0.080 0.000 1.234 17 I HN 0.792 nan 8.210 nan 0.000 0.425 18 M N 7.397 126.996 119.600 -0.000 0.000 2.253 18 M HA 0.667 5.164 4.480 0.028 0.000 0.314 18 M C -1.988 174.213 176.300 -0.165 0.000 1.019 18 M CA -0.547 54.716 55.300 -0.062 0.000 0.932 18 M CB 1.725 34.314 32.600 -0.019 0.000 1.606 18 M HN 0.353 nan 8.290 nan 0.000 0.430 19 V N 4.704 124.375 119.914 -0.405 0.000 2.443 19 V HA 0.506 4.643 4.120 0.028 0.000 0.293 19 V C -0.832 174.725 176.094 -0.895 0.000 1.021 19 V CA -0.753 61.153 62.300 -0.656 0.000 0.848 19 V CB 1.638 32.884 31.823 -0.962 0.000 0.998 19 V HN 0.877 nan 8.190 nan 0.000 0.424 20 N N 2.946 121.300 118.700 -0.577 0.000 2.284 20 N HA 0.724 5.481 4.740 0.028 0.000 0.300 20 N C -0.113 175.095 175.510 -0.502 0.000 1.047 20 N CA -0.232 52.520 53.050 -0.498 0.000 0.821 20 N CB 2.356 40.724 38.487 -0.199 0.000 1.337 20 N HN 0.809 nan 8.380 nan 0.000 0.482 21 G N 2.787 111.290 108.800 -0.495 0.000 4.138 21 G HA2 0.293 4.270 3.960 0.028 0.000 0.335 21 G HA3 0.293 4.270 3.960 0.028 0.000 0.335 21 G C -2.787 171.906 174.900 -0.346 0.000 1.517 21 G CA -1.012 43.844 45.100 -0.407 0.000 0.960 21 G HN 0.400 nan 8.290 nan 0.000 0.493 22 P HA 0.150 nan 4.420 nan 0.000 0.276 22 P C -0.609 176.292 177.300 -0.666 0.000 1.243 22 P CA 0.110 62.893 63.100 -0.528 0.000 0.768 22 P CB 1.610 32.970 31.700 -0.567 0.000 0.856 23 Q N 2.566 121.986 119.800 -0.632 0.000 2.400 23 Q HA 0.325 4.682 4.340 0.028 0.000 0.255 23 Q C -0.531 175.093 176.000 -0.627 0.000 1.008 23 Q CA -0.304 55.188 55.803 -0.518 0.000 0.841 23 Q CB 0.753 29.389 28.738 -0.170 0.000 1.220 23 Q HN 0.449 nan 8.270 nan 0.000 0.474 24 F N 0.500 120.147 119.950 -0.504 0.000 2.706 24 F HA 0.347 4.886 4.527 0.021 0.000 0.313 24 F C 1.088 176.574 175.800 -0.523 0.000 1.096 24 F CA 0.193 57.828 58.000 -0.609 0.000 1.219 24 F CB 1.050 39.321 39.000 -1.215 0.000 1.051 24 F HN 0.714 nan 8.300 nan 0.000 0.568 25 G N -0.292 108.163 108.800 -0.575 0.000 2.710 25 G HA2 -0.176 3.801 3.960 0.028 0.000 0.668 25 G HA3 -0.176 3.801 3.960 0.028 0.000 0.668 25 G C -1.130 173.217 174.900 -0.921 0.000 1.320 25 G CA -1.095 43.651 45.100 -0.589 0.000 0.860 25 G HN 0.095 nan 8.290 nan 0.000 0.538 26 W N -0.243 120.635 121.300 -0.704 0.000 2.683 26 W HA 0.646 5.287 4.660 -0.030 0.000 0.329 26 W C -1.002 174.941 176.519 -0.959 0.000 1.037 26 W CA -0.726 56.200 57.345 -0.699 0.000 1.232 26 W CB 1.924 30.849 29.460 -0.892 0.000 1.390 26 W HN 0.549 nan 8.180 nan 0.000 0.465 27 Y N 0.701 121.190 120.300 0.315 0.000 2.553 27 Y HA 0.644 5.231 4.550 0.062 0.000 0.347 27 Y C -0.125 175.944 175.900 0.281 0.000 1.019 27 Y CA -1.351 56.918 58.100 0.282 0.000 1.032 27 Y CB 1.970 40.571 38.460 0.235 0.000 1.284 27 Y HN 0.379 nan 8.280 nan 0.000 0.466 28 A N 3.248 126.260 122.820 0.321 0.000 2.353 28 A HA 0.761 5.098 4.320 0.028 0.000 0.299 28 A C -2.948 174.702 177.584 0.109 0.000 1.089 28 A CA -1.956 50.156 52.037 0.125 0.000 0.736 28 A CB 1.017 20.045 19.000 0.046 0.000 1.195 28 A HN 0.366 nan 8.150 nan 0.000 0.447 29 P HA 0.317 nan 4.420 nan 0.000 0.273 29 P C 0.346 177.667 177.300 0.035 0.000 1.250 29 P CA -0.012 63.073 63.100 -0.025 0.000 0.793 29 P CB 0.544 32.236 31.700 -0.013 0.000 1.011 30 A N 0.629 123.450 122.820 0.002 0.000 2.587 30 A HA -0.128 4.209 4.320 0.028 0.000 0.233 30 A C 1.078 178.674 177.584 0.020 0.000 1.049 30 A CA 0.158 52.228 52.037 0.056 0.000 0.754 30 A CB -0.937 18.062 19.000 -0.001 0.000 0.977 30 A HN 0.670 nan 8.150 nan 0.000 0.509 31 Y N 2.154 122.430 120.300 -0.040 0.000 2.224 31 Y HA -0.067 4.505 4.550 0.037 0.000 0.289 31 Y C 1.772 177.443 175.900 -0.383 0.000 1.146 31 Y CA 2.148 60.094 58.100 -0.257 0.000 1.182 31 Y CB -0.045 38.355 38.460 -0.101 0.000 0.983 31 Y HN 0.798 nan 8.280 nan 0.000 0.524 32 T N -2.644 111.872 114.554 -0.064 0.000 2.949 32 T HA 0.359 4.726 4.350 0.028 0.000 0.287 32 T C -1.559 173.135 174.700 -0.010 0.000 1.034 32 T CA -0.621 61.439 62.100 -0.067 0.000 1.018 32 T CB 1.871 70.812 68.868 0.120 0.000 1.135 32 T HN 0.106 nan 8.240 nan 0.000 0.532 33 Y N -0.025 120.201 120.300 -0.124 0.000 2.346 33 Y HA 0.578 5.144 4.550 0.027 0.000 0.332 33 Y C 0.127 175.998 175.900 -0.049 0.000 0.985 33 Y CA -0.702 57.340 58.100 -0.098 0.000 1.112 33 Y CB 1.473 39.848 38.460 -0.142 0.000 1.170 33 Y HN 1.136 nan 8.280 nan 0.000 0.447 34 G N 5.261 113.742 108.800 -0.532 0.000 2.390 34 G HA2 0.499 4.476 3.960 0.028 0.000 0.270 34 G HA3 0.499 4.476 3.960 0.028 0.000 0.270 34 G C -1.605 173.088 174.900 -0.346 0.000 1.211 34 G CA -0.199 44.706 45.100 -0.324 0.000 0.842 34 G HN 0.675 nan 8.290 nan 0.000 0.519 35 I N 0.697 121.206 120.570 -0.102 0.000 2.771 35 I HA 0.633 4.820 4.170 0.028 0.000 0.291 35 I C -0.288 175.818 176.117 -0.019 0.000 1.527 35 I CA -0.386 60.909 61.300 -0.007 0.000 1.024 35 I CB 1.995 40.079 38.000 0.140 0.000 1.388 35 I HN 0.778 nan 8.210 nan 0.000 0.447 36 G N 7.101 115.885 108.800 -0.025 0.000 2.513 36 G HA2 0.710 4.687 3.960 0.028 0.000 0.317 36 G HA3 0.710 4.687 3.960 0.028 0.000 0.317 36 G C -1.806 172.919 174.900 -0.292 0.000 1.277 36 G CA -0.620 44.413 45.100 -0.113 0.000 0.955 36 G HN 0.602 nan 8.290 nan 0.000 0.484 37 L N 2.066 122.955 121.223 -0.556 0.000 2.381 37 L HA 0.505 4.863 4.340 0.028 0.000 0.274 37 L C -1.065 175.442 176.870 -0.604 0.000 0.988 37 L CA -0.934 53.645 54.840 -0.434 0.000 0.824 37 L CB 2.212 44.116 42.059 -0.258 0.000 1.263 37 L HN 0.623 nan 8.230 nan 0.000 0.410 38 H N 1.965 121.087 119.070 0.087 0.000 3.013 38 H HA 0.740 5.313 4.556 0.029 0.000 0.326 38 H C 0.110 175.503 175.328 0.108 0.000 0.973 38 H CA -0.447 55.664 56.048 0.106 0.000 1.369 38 H CB 1.962 31.768 29.762 0.073 0.000 1.598 38 H HN 0.849 nan 8.280 nan 0.000 0.518 39 G N 0.857 109.792 108.800 0.224 0.000 2.357 39 G HA2 0.430 4.407 3.960 0.028 0.000 0.643 39 G HA3 0.430 4.407 3.960 0.028 0.000 0.643 39 G C -0.075 174.952 174.900 0.213 0.000 1.358 39 G CA -0.416 44.790 45.100 0.177 0.000 0.986 39 G HN 1.349 nan 8.290 nan 0.000 0.620 40 A N -1.235 121.678 122.820 0.156 0.000 2.832 40 A HA 0.384 4.721 4.320 0.028 0.000 0.280 40 A C 2.437 180.094 177.584 0.123 0.000 1.464 40 A CA 2.124 54.257 52.037 0.160 0.000 0.804 40 A CB -1.557 17.570 19.000 0.211 0.000 1.020 40 A HN 3.299 nan 8.150 nan 0.000 0.563 41 G N -4.051 104.773 108.800 0.040 0.000 2.195 41 G HA2 -0.259 3.718 3.960 0.028 0.000 0.246 41 G HA3 -0.259 3.718 3.960 0.028 0.000 0.246 41 G C -0.001 174.783 174.900 -0.193 0.000 0.984 41 G CA 0.684 45.721 45.100 -0.104 0.000 0.633 41 G HN 1.471 nan 8.290 nan 0.000 0.525 42 Y N 0.472 120.816 120.300 0.073 0.000 2.352 42 Y HA 0.625 5.193 4.550 0.029 0.000 0.326 42 Y C 0.124 176.078 175.900 0.090 0.000 1.166 42 Y CA -0.686 57.458 58.100 0.073 0.000 1.182 42 Y CB 1.870 40.351 38.460 0.034 0.000 1.216 42 Y HN 0.048 nan 8.280 nan 0.000 0.474 43 D N 2.015 122.571 120.400 0.260 0.000 2.411 43 D HA 0.389 5.046 4.640 0.028 0.000 0.239 43 D C -1.714 174.704 176.300 0.197 0.000 1.307 43 D CA -0.183 53.970 54.000 0.255 0.000 0.930 43 D CB 0.472 41.420 40.800 0.246 0.000 1.395 43 D HN 0.355 nan 8.370 nan 0.000 0.536 44 V N -0.272 119.678 119.914 0.062 0.000 3.078 44 V HA 0.949 5.086 4.120 0.028 0.000 0.311 44 V C -0.592 175.446 176.094 -0.093 0.000 1.138 44 V CA -0.551 61.781 62.300 0.054 0.000 1.007 44 V CB 1.999 33.977 31.823 0.258 0.000 1.045 44 V HN 0.273 nan 8.190 nan 0.000 0.432 45 T N 0.841 115.286 114.554 -0.181 0.000 2.933 45 T HA 0.910 5.277 4.350 0.028 0.000 0.305 45 T C -0.149 174.451 174.700 -0.167 0.000 1.092 45 T CA 0.593 62.593 62.100 -0.167 0.000 1.008 45 T CB 1.191 69.951 68.868 -0.181 0.000 1.102 45 T HN 2.235 nan 8.240 nan 0.000 0.469 46 G N 3.207 111.964 108.800 -0.071 0.000 2.452 46 G HA2 0.426 4.404 3.960 0.028 0.000 0.224 46 G HA3 0.426 4.404 3.960 0.028 0.000 0.224 46 G C -1.809 173.112 174.900 0.035 0.000 1.208 46 G CA -0.092 44.998 45.100 -0.018 0.000 0.946 46 G HN 1.215 nan 8.290 nan 0.000 0.481 47 N N -1.891 116.891 118.700 0.137 0.000 2.708 47 N HA 0.729 5.486 4.740 0.028 0.000 0.257 47 N C -1.137 174.533 175.510 0.266 0.000 1.373 47 N CA -0.089 53.051 53.050 0.151 0.000 0.843 47 N CB 2.440 40.989 38.487 0.104 0.000 1.503 47 N HN 0.771 nan 8.380 nan 0.000 0.504 48 T N -0.321 114.335 114.554 0.170 0.000 2.942 48 T HA 0.507 4.874 4.350 0.028 0.000 0.327 48 T C -3.125 171.466 174.700 -0.182 0.000 1.360 48 T CA -1.186 60.935 62.100 0.034 0.000 1.055 48 T CB 1.363 70.198 68.868 -0.056 0.000 1.261 48 T HN 0.436 nan 8.240 nan 0.000 0.485 49 P HA 0.307 nan 4.420 nan 0.000 0.264 49 P C -0.043 176.622 177.300 -1.058 0.000 1.193 49 P CA 0.295 62.938 63.100 -0.761 0.000 0.763 49 P CB -0.270 31.006 31.700 -0.707 0.000 0.810 50 F N 1.350 120.793 119.950 -0.846 0.000 3.100 50 F HA -0.282 4.260 4.527 0.026 0.000 0.283 50 F C 1.262 176.735 175.800 -0.546 0.000 0.900 50 F CA 0.866 58.480 58.000 -0.644 0.000 1.010 50 F CB -2.444 36.232 39.000 -0.540 0.000 1.029 50 F HN 0.550 nan 8.300 nan 0.000 0.637 51 A N -2.174 120.420 122.820 -0.376 0.000 2.640 51 A HA -0.250 4.087 4.320 0.028 0.000 0.300 51 A C 0.494 177.970 177.584 -0.179 0.000 1.499 51 A CA 0.966 52.821 52.037 -0.303 0.000 0.759 51 A CB -2.270 16.378 19.000 -0.586 0.000 1.048 51 A HN 0.532 nan 8.150 nan 0.000 0.450 52 Y N -1.569 118.661 120.300 -0.117 0.000 2.550 52 Y HA 0.231 4.798 4.550 0.028 0.000 0.343 52 Y C -0.413 175.403 175.900 -0.140 0.000 1.245 52 Y CA -0.875 57.138 58.100 -0.144 0.000 1.462 52 Y CB -0.451 37.881 38.460 -0.213 0.000 1.340 52 Y HN 0.185 nan 8.280 nan 0.000 0.604 53 P HA -0.103 nan 4.420 nan 0.000 0.216 53 P C 0.359 177.621 177.300 -0.064 0.000 1.150 53 P CA 1.750 64.818 63.100 -0.053 0.000 0.843 53 P CB 0.181 31.834 31.700 -0.078 0.000 0.787 54 G N -0.114 108.670 108.800 -0.026 0.000 2.325 54 G HA2 0.425 4.402 3.960 0.028 0.000 0.298 54 G HA3 0.425 4.402 3.960 0.028 0.000 0.298 54 G C -0.860 174.023 174.900 -0.027 0.000 1.134 54 G CA -0.298 44.791 45.100 -0.019 0.000 0.876 54 G HN -0.060 nan 8.290 nan 0.000 0.452 55 L N 2.915 124.173 121.223 0.057 0.000 2.361 55 L HA 0.121 4.478 4.340 0.028 0.000 0.278 55 L C 1.509 178.461 176.870 0.138 0.000 1.113 55 L CA 0.121 55.039 54.840 0.131 0.000 0.849 55 L CB 1.581 43.831 42.059 0.319 0.000 1.155 55 L HN 0.348 nan 8.230 nan 0.000 0.452 56 V N 3.337 123.120 119.914 -0.218 0.000 2.719 56 V HA -0.050 4.087 4.120 0.028 0.000 0.252 56 V C 0.097 175.956 176.094 -0.392 0.000 1.065 56 V CA 1.051 63.076 62.300 -0.457 0.000 1.086 56 V CB -0.599 30.628 31.823 -0.994 0.000 0.700 56 V HN 0.471 nan 8.190 nan 0.000 0.467 57 F N -0.126 120.041 119.950 0.361 0.000 2.496 57 F HA 0.797 5.342 4.527 0.030 0.000 0.341 57 F C 0.475 176.261 175.800 -0.022 0.000 1.134 57 F CA -0.522 57.579 58.000 0.168 0.000 0.968 57 F CB 1.471 40.543 39.000 0.120 0.000 1.205 57 F HN 0.026 nan 8.300 nan 0.000 0.436 58 G N 1.663 110.240 108.800 -0.372 0.000 2.321 58 G HA2 0.464 4.441 3.960 0.028 0.000 0.296 58 G HA3 0.464 4.441 3.960 0.028 0.000 0.296 58 G C -2.170 171.947 174.900 -1.304 0.000 1.287 58 G CA -0.808 43.950 45.100 -0.569 0.000 0.846 58 G HN 0.944 nan 8.290 nan 0.000 0.508 59 H N -1.517 116.973 119.070 -0.968 0.000 2.990 59 H HA 0.513 5.086 4.556 0.028 0.000 0.336 59 H C -0.760 174.432 175.328 -0.226 0.000 1.306 59 H CA -0.209 55.343 56.048 -0.828 0.000 1.118 59 H CB 1.307 30.808 29.762 -0.436 0.000 1.856 59 H HN 0.701 nan 8.280 nan 0.000 0.538 60 N N -0.547 118.250 118.700 0.162 0.000 2.299 60 N HA 0.270 5.027 4.740 0.028 0.000 0.246 60 N C 0.759 176.459 175.510 0.316 0.000 1.254 60 N CA -0.082 53.126 53.050 0.263 0.000 0.879 60 N CB 1.100 39.850 38.487 0.438 0.000 1.214 60 N HN 0.922 nan 8.380 nan 0.000 0.510 61 G N 0.280 109.395 108.800 0.527 0.000 2.234 61 G HA2 -0.328 3.649 3.960 0.028 0.000 0.260 61 G HA3 -0.328 3.649 3.960 0.028 0.000 0.260 61 G C 0.618 175.719 174.900 0.336 0.000 0.987 61 G CA 0.701 46.037 45.100 0.393 0.000 0.625 61 G HN 0.275 nan 8.290 nan 0.000 0.532 62 V N 0.526 120.626 119.914 0.311 0.000 2.996 62 V HA 0.477 4.614 4.120 0.028 0.000 0.235 62 V C 1.135 177.218 176.094 -0.017 0.000 1.205 62 V CA 1.491 63.888 62.300 0.161 0.000 1.225 62 V CB 0.230 32.135 31.823 0.137 0.000 0.995 62 V HN 0.821 nan 8.190 nan 0.000 0.484 63 I N -0.973 119.669 120.570 0.120 0.000 3.002 63 I HA 0.882 5.069 4.170 0.028 0.000 0.310 63 I C -0.541 175.718 176.117 0.237 0.000 1.087 63 I CA -0.493 60.757 61.300 -0.084 0.000 1.017 63 I CB 2.474 40.385 38.000 -0.150 0.000 1.226 63 I HN 0.140 nan 8.210 nan 0.000 0.443 64 S N 1.731 117.491 115.700 0.101 0.000 2.599 64 S HA 0.863 5.350 4.470 0.028 0.000 0.287 64 S C -1.375 173.243 174.600 0.030 0.000 1.105 64 S CA -0.599 57.584 58.200 -0.028 0.000 0.899 64 S CB 1.449 64.634 63.200 -0.024 0.000 1.100 64 S HN 1.018 nan 8.310 nan 0.000 0.482 65 W N -0.451 120.915 121.300 0.110 0.000 3.075 65 W HA 0.919 5.595 4.660 0.027 0.000 0.334 65 W C -0.316 176.348 176.519 0.242 0.000 1.243 65 W CA -0.658 56.781 57.345 0.156 0.000 1.170 65 W CB 0.783 30.367 29.460 0.206 0.000 1.452 65 W HN 1.106 nan 8.180 nan 0.000 0.572 66 G N -0.062 109.097 108.800 0.598 0.000 2.548 66 G HA2 0.629 4.606 3.960 0.028 0.000 0.301 66 G HA3 0.629 4.606 3.960 0.028 0.000 0.301 66 G C -1.736 173.604 174.900 0.734 0.000 1.349 66 G CA -0.876 44.585 45.100 0.602 0.000 0.792 66 G HN 0.708 nan 8.290 nan 0.000 0.481 67 S N -1.485 114.687 115.700 0.786 0.000 2.596 67 S HA 0.882 5.369 4.470 0.028 0.000 0.270 67 S C -0.752 174.306 174.600 0.764 0.000 1.155 67 S CA -0.096 58.625 58.200 0.867 0.000 0.827 67 S CB 1.955 65.644 63.200 0.816 0.000 1.130 67 S HN 1.573 nan 8.310 nan 0.000 0.467 68 T N -1.212 113.805 114.554 0.772 0.000 2.916 68 T HA 0.809 5.176 4.350 0.028 0.000 0.305 68 T C -0.401 174.610 174.700 0.520 0.000 1.119 68 T CA -0.714 61.726 62.100 0.565 0.000 1.008 68 T CB 1.423 70.606 68.868 0.526 0.000 1.129 68 T HN 0.906 nan 8.240 nan 0.000 0.480 69 A N 1.195 124.264 122.820 0.415 0.000 2.511 69 A HA 0.564 4.901 4.320 0.028 0.000 0.242 69 A C 1.508 179.315 177.584 0.371 0.000 1.069 69 A CA 0.155 52.351 52.037 0.265 0.000 0.763 69 A CB -0.390 18.647 19.000 0.061 0.000 1.001 69 A HN 1.341 nan 8.150 nan 0.000 0.498 70 G N 0.428 109.354 108.800 0.211 0.000 2.426 70 G HA2 0.197 4.175 3.960 0.028 0.000 0.214 70 G HA3 0.197 4.175 3.960 0.028 0.000 0.214 70 G C 0.439 175.766 174.900 0.712 0.000 1.156 70 G CA 0.562 45.942 45.100 0.468 0.000 0.802 70 G HN 0.893 nan 8.290 nan 0.000 0.534 71 F N 0.043 120.209 119.950 0.360 0.000 3.093 71 F HA -0.178 4.364 4.527 0.026 0.000 0.287 71 F C 1.612 177.516 175.800 0.174 0.000 0.882 71 F CA -0.131 57.916 58.000 0.079 0.000 1.063 71 F CB -1.625 37.184 39.000 -0.319 0.000 1.097 71 F HN 0.324 nan 8.300 nan 0.000 0.604 72 G N -0.039 109.129 108.800 0.614 0.000 2.651 72 G HA2 0.308 4.285 3.960 0.028 0.000 0.260 72 G HA3 0.308 4.285 3.960 0.028 0.000 0.260 72 G C -0.487 174.608 174.900 0.325 0.000 1.216 72 G CA -0.133 45.335 45.100 0.613 0.000 0.913 72 G HN 0.198 nan 8.290 nan 0.000 0.535 73 D N 0.004 120.524 120.400 0.200 0.000 2.468 73 D HA 0.152 4.809 4.640 0.028 0.000 0.218 73 D C 0.178 176.615 176.300 0.229 0.000 1.155 73 D CA -0.618 53.458 54.000 0.127 0.000 0.924 73 D CB 0.685 41.490 40.800 0.008 0.000 1.029 73 D HN 0.317 nan 8.370 nan 0.000 0.515 74 D N 1.938 122.485 120.400 0.244 0.000 2.462 74 D HA 0.060 4.717 4.640 0.028 0.000 0.221 74 D C -0.270 176.143 176.300 0.188 0.000 1.173 74 D CA -0.293 53.808 54.000 0.169 0.000 0.831 74 D CB 0.170 41.025 40.800 0.091 0.000 1.001 74 D HN 0.038 nan 8.370 nan 0.000 0.499 75 V N 0.715 120.760 119.914 0.218 0.000 2.623 75 V HA 0.405 4.543 4.120 0.028 0.000 0.304 75 V C -1.040 175.216 176.094 0.270 0.000 1.054 75 V CA -0.752 61.696 62.300 0.247 0.000 0.882 75 V CB 2.202 34.129 31.823 0.173 0.000 1.002 75 V HN -0.022 nan 8.190 nan 0.000 0.424 76 D N 3.269 123.884 120.400 0.358 0.000 2.601 76 D HA 0.616 5.273 4.640 0.028 0.000 0.230 76 D C -0.690 175.649 176.300 0.064 0.000 1.106 76 D CA -0.335 53.799 54.000 0.223 0.000 0.873 76 D CB 2.877 43.884 40.800 0.344 0.000 1.515 76 D HN 0.312 nan 8.370 nan 0.000 0.468 77 I N 1.127 121.665 120.570 -0.052 0.000 2.377 77 I HA 0.320 4.507 4.170 0.028 0.000 0.293 77 I C -0.560 175.418 176.117 -0.231 0.000 0.987 77 I CA -0.658 60.628 61.300 -0.024 0.000 1.185 77 I CB 0.877 38.899 38.000 0.037 0.000 1.341 77 I HN 0.074 nan 8.210 nan 0.000 0.455 78 F N 4.070 123.943 119.950 -0.130 0.000 2.427 78 F HA 0.488 5.032 4.527 0.028 0.000 0.346 78 F C 0.621 176.322 175.800 -0.165 0.000 1.120 78 F CA -0.590 57.250 58.000 -0.266 0.000 1.033 78 F CB 1.653 40.240 39.000 -0.688 0.000 1.126 78 F HN 0.429 nan 8.300 nan 0.000 0.462 79 A N 3.911 126.712 122.820 -0.031 0.000 2.415 79 A HA 0.360 4.697 4.320 0.028 0.000 0.309 79 A C -0.065 177.425 177.584 -0.156 0.000 1.356 79 A CA -0.635 51.276 52.037 -0.211 0.000 0.998 79 A CB -0.345 18.562 19.000 -0.155 0.000 1.145 79 A HN 0.576 nan 8.150 nan 0.000 0.545 80 E N 1.337 121.430 120.200 -0.178 0.000 2.338 80 E HA 0.138 4.505 4.350 0.028 0.000 0.272 80 E C 0.103 176.695 176.600 -0.015 0.000 1.029 80 E CA -0.245 56.125 56.400 -0.051 0.000 0.872 80 E CB 1.161 30.794 29.700 -0.111 0.000 1.015 80 E HN 0.635 nan 8.360 nan 0.000 0.417 81 R N 3.505 124.057 120.500 0.087 0.000 2.221 81 R HA 0.310 4.667 4.340 0.028 0.000 0.327 81 R C -0.407 176.052 176.300 0.265 0.000 1.033 81 R CA -0.197 55.972 56.100 0.115 0.000 0.887 81 R CB 0.170 30.515 30.300 0.074 0.000 1.057 81 R HN 0.404 nan 8.270 nan 0.000 0.455 82 L N 1.843 123.213 121.223 0.246 0.000 2.335 82 L HA 0.587 4.944 4.340 0.028 0.000 0.268 82 L C -0.073 176.964 176.870 0.278 0.000 1.016 82 L CA -1.102 53.916 54.840 0.297 0.000 0.805 82 L CB 1.891 44.016 42.059 0.109 0.000 1.311 82 L HN 0.611 nan 8.230 nan 0.000 0.456 83 S N -1.101 114.655 115.700 0.093 0.000 2.575 83 S HA 0.538 5.026 4.470 0.028 0.000 0.278 83 S C 0.314 174.834 174.600 -0.133 0.000 1.139 83 S CA -0.073 58.053 58.200 -0.122 0.000 0.954 83 S CB 1.833 64.698 63.200 -0.559 0.000 1.054 83 S HN 0.679 nan 8.310 nan 0.000 0.483 84 A N 3.474 126.236 122.820 -0.096 0.000 2.067 84 A HA 0.038 4.375 4.320 0.028 0.000 0.219 84 A C 1.529 179.043 177.584 -0.118 0.000 1.158 84 A CA 1.291 53.279 52.037 -0.082 0.000 0.661 84 A CB -0.453 18.515 19.000 -0.054 0.000 0.801 84 A HN 0.908 nan 8.150 nan 0.000 0.452 85 E N -0.548 119.543 120.200 -0.181 0.000 2.358 85 E HA -0.029 4.338 4.350 0.028 0.000 0.195 85 E C 0.091 176.542 176.600 -0.250 0.000 1.010 85 E CA 0.646 56.923 56.400 -0.205 0.000 0.856 85 E CB 0.040 29.596 29.700 -0.240 0.000 0.795 85 E HN 0.415 nan 8.360 nan 0.000 0.504 86 K N 1.374 121.597 120.400 -0.296 0.000 2.920 86 K HA 0.207 4.545 4.320 0.028 0.000 0.175 86 K C -2.727 173.854 176.600 -0.033 0.000 1.099 86 K CA -1.740 54.376 56.287 -0.286 0.000 0.939 86 K CB 1.567 33.698 32.500 -0.615 0.000 1.148 86 K HN -0.093 nan 8.250 nan 0.000 0.613 87 P HA -0.059 nan 4.420 nan 0.000 0.262 87 P C 0.786 178.186 177.300 0.166 0.000 1.182 87 P CA 1.061 64.190 63.100 0.049 0.000 0.761 87 P CB 0.737 32.455 31.700 0.030 0.000 0.795 88 G N 0.926 109.746 108.800 0.034 0.000 2.157 88 G HA2 -0.236 3.741 3.960 0.028 0.000 0.248 88 G HA3 -0.236 3.741 3.960 0.028 0.000 0.248 88 G C -0.413 174.541 174.900 0.089 0.000 0.979 88 G CA -0.179 44.948 45.100 0.046 0.000 0.650 88 G HN 0.466 nan 8.290 nan 0.000 0.529 89 Y N -0.577 119.813 120.300 0.149 0.000 2.598 89 Y HA 0.732 5.300 4.550 0.029 0.000 0.340 89 Y C 0.192 176.355 175.900 0.439 0.000 1.038 89 Y CA -1.134 57.120 58.100 0.258 0.000 1.100 89 Y CB 1.672 40.266 38.460 0.223 0.000 1.281 89 Y HN 0.460 nan 8.280 nan 0.000 0.488 90 Y N -0.436 120.143 120.300 0.463 0.000 2.571 90 Y HA 0.646 5.213 4.550 0.029 0.000 0.341 90 Y C -1.947 174.013 175.900 0.101 0.000 1.076 90 Y CA -1.880 56.414 58.100 0.324 0.000 1.029 90 Y CB 0.662 39.197 38.460 0.125 0.000 1.308 90 Y HN 0.475 nan 8.280 nan 0.000 0.461 91 L N 4.494 125.554 121.223 -0.272 0.000 2.313 91 L HA 0.424 4.781 4.340 0.028 0.000 0.282 91 L C -0.862 175.908 176.870 -0.166 0.000 1.092 91 L CA 0.354 54.785 54.840 -0.682 0.000 0.831 91 L CB -0.079 41.387 42.059 -0.988 0.000 1.159 91 L HN 0.887 nan 8.230 nan 0.000 0.442 92 H N 5.334 124.202 119.070 -0.336 0.000 3.017 92 H HA 0.225 4.798 4.556 0.029 0.000 0.340 92 H C -0.247 174.981 175.328 -0.168 0.000 1.014 92 H CA -0.407 55.547 56.048 -0.157 0.000 1.341 92 H CB 0.819 30.514 29.762 -0.113 0.000 1.739 92 H HN 0.844 nan 8.280 nan 0.000 0.506 93 N N 3.160 121.529 118.700 -0.552 0.000 2.716 93 N HA -0.255 4.502 4.740 0.028 0.000 0.250 93 N C 0.936 176.296 175.510 -0.250 0.000 1.033 93 N CA 0.761 53.570 53.050 -0.402 0.000 0.727 93 N CB -0.760 37.466 38.487 -0.435 0.000 0.950 93 N HN 1.024 nan 8.380 nan 0.000 0.541 94 G N -1.160 107.495 108.800 -0.242 0.000 2.179 94 G HA2 -0.354 3.623 3.960 0.028 0.000 0.260 94 G HA3 -0.354 3.623 3.960 0.028 0.000 0.260 94 G C -0.023 174.742 174.900 -0.225 0.000 0.977 94 G CA 0.924 45.900 45.100 -0.207 0.000 0.641 94 G HN 0.472 nan 8.290 nan 0.000 0.533 95 K N -1.171 119.073 120.400 -0.259 0.000 2.340 95 K HA 0.490 4.827 4.320 0.028 0.000 0.244 95 K C -0.931 175.469 176.600 -0.332 0.000 0.973 95 K CA -1.035 55.129 56.287 -0.206 0.000 0.828 95 K CB 1.474 33.921 32.500 -0.088 0.000 1.226 95 K HN 0.093 nan 8.250 nan 0.000 0.437 96 W N 1.737 123.019 121.300 -0.031 0.000 2.388 96 W HA 0.274 4.951 4.660 0.028 0.000 0.308 96 W C -0.283 176.283 176.519 0.078 0.000 1.263 96 W CA -0.495 56.852 57.345 0.004 0.000 1.286 96 W CB 0.809 30.244 29.460 -0.041 0.000 1.294 96 W HN 0.034 nan 8.180 nan 0.000 0.493 97 V N 5.083 125.020 119.914 0.039 0.000 2.513 97 V HA 0.283 4.421 4.120 0.028 0.000 0.299 97 V C 0.351 176.284 176.094 -0.269 0.000 1.035 97 V CA -1.610 60.577 62.300 -0.187 0.000 0.889 97 V CB 1.546 33.016 31.823 -0.589 0.000 0.988 97 V HN 0.206 nan 8.190 nan 0.000 0.440 98 K N 4.388 124.609 120.400 -0.298 0.000 2.298 98 K HA 0.374 4.711 4.320 0.028 0.000 0.280 98 K C -0.192 176.354 176.600 -0.091 0.000 1.032 98 K CA -0.041 55.906 56.287 -0.567 0.000 0.958 98 K CB 0.740 32.965 32.500 -0.459 0.000 0.978 98 K HN 0.619 nan 8.250 nan 0.000 0.472 99 M N 3.761 123.389 119.600 0.045 0.000 2.240 99 M HA 0.140 4.637 4.480 0.028 0.000 0.333 99 M C 0.560 176.937 176.300 0.130 0.000 1.110 99 M CA -0.166 55.284 55.300 0.250 0.000 1.173 99 M CB 0.503 33.328 32.600 0.375 0.000 1.458 99 M HN 0.305 nan 8.290 nan 0.000 0.458 100 L N 1.391 122.665 121.223 0.084 0.000 2.418 100 L HA 0.420 4.777 4.340 0.028 0.000 0.265 100 L C 0.171 176.999 176.870 -0.069 0.000 1.143 100 L CA -0.165 54.669 54.840 -0.011 0.000 0.809 100 L CB 1.337 43.374 42.059 -0.036 0.000 1.124 100 L HN 0.878 nan 8.230 nan 0.000 0.456 101 S N 2.354 117.921 115.700 -0.222 0.000 2.570 101 S HA 0.776 5.263 4.470 0.028 0.000 0.270 101 S C -1.052 173.305 174.600 -0.405 0.000 1.149 101 S CA -1.071 56.834 58.200 -0.492 0.000 0.837 101 S CB 2.597 65.173 63.200 -1.040 0.000 1.124 101 S HN 0.778 nan 8.310 nan 0.000 0.465 102 R N 0.709 120.933 120.500 -0.460 0.000 2.668 102 R HA 0.584 4.941 4.340 0.028 0.000 0.272 102 R C -1.528 174.520 176.300 -0.420 0.000 1.019 102 R CA -0.740 55.148 56.100 -0.353 0.000 0.894 102 R CB 1.522 31.670 30.300 -0.254 0.000 1.228 102 R HN 0.698 nan 8.270 nan 0.000 0.460 103 E N 1.734 121.735 120.200 -0.333 0.000 2.231 103 E HA 0.223 4.590 4.350 0.028 0.000 0.277 103 E C -0.759 175.650 176.600 -0.318 0.000 0.999 103 E CA -0.734 55.465 56.400 -0.334 0.000 0.827 103 E CB 1.651 31.224 29.700 -0.211 0.000 1.101 103 E HN 0.394 nan 8.360 nan 0.000 0.393 104 E N 1.312 121.268 120.200 -0.406 0.000 2.272 104 E HA 0.325 4.692 4.350 0.028 0.000 0.269 104 E C -1.165 175.388 176.600 -0.078 0.000 0.877 104 E CA -0.594 55.646 56.400 -0.266 0.000 0.755 104 E CB 2.361 31.828 29.700 -0.389 0.000 1.192 104 E HN 0.272 nan 8.360 nan 0.000 0.422 105 T N 2.954 117.508 114.554 0.000 0.000 2.770 105 T HA 0.416 4.783 4.350 0.028 0.000 0.283 105 T C 0.189 174.934 174.700 0.077 0.000 0.988 105 T CA -0.615 61.517 62.100 0.054 0.000 0.957 105 T CB 0.466 69.343 68.868 0.015 0.000 0.930 105 T HN 0.182 nan 8.240 nan 0.000 0.443 106 I N 3.938 124.573 120.570 0.109 0.000 2.301 106 I HA 0.217 4.404 4.170 0.028 0.000 0.292 106 I C 0.998 177.138 176.117 0.038 0.000 1.046 106 I CA -0.384 60.959 61.300 0.073 0.000 1.282 106 I CB 0.148 38.186 38.000 0.062 0.000 1.409 106 I HN 0.520 nan 8.210 nan 0.000 0.484 107 T N 6.204 120.771 114.554 0.022 0.000 2.897 107 T HA 0.498 4.865 4.350 0.028 0.000 0.294 107 T C 0.173 174.877 174.700 0.007 0.000 1.004 107 T CA -0.267 61.840 62.100 0.012 0.000 1.106 107 T CB 1.483 70.354 68.868 0.005 0.000 0.949 107 T HN 0.313 nan 8.240 nan 0.000 0.520 108 V N 3.614 123.531 119.914 0.006 0.000 2.525 108 V HA 0.356 4.493 4.120 0.028 0.000 0.299 108 V C -0.040 176.055 176.094 0.002 0.000 1.034 108 V CA -1.226 61.075 62.300 0.003 0.000 0.863 108 V CB 1.752 33.578 31.823 0.004 0.000 0.999 108 V HN 0.700 nan 8.190 nan 0.000 0.423 109 K N 4.143 124.543 120.400 0.000 0.000 2.453 109 K HA 0.106 4.444 4.320 0.028 0.000 0.280 109 K C 0.721 177.322 176.600 0.003 0.000 1.045 109 K CA 1.071 57.359 56.287 0.001 0.000 1.059 109 K CB -0.819 31.681 32.500 0.000 0.000 0.901 109 K HN 0.754 nan 8.250 nan 0.000 0.475 110 N N 1.594 120.296 118.700 0.003 0.000 2.741 110 N HA -0.224 4.533 4.740 0.028 0.000 0.250 110 N C -0.208 175.305 175.510 0.005 0.000 1.115 110 N CA 0.539 53.591 53.050 0.004 0.000 0.724 110 N CB -0.884 37.606 38.487 0.005 0.000 1.090 110 N HN 0.732 nan 8.380 nan 0.000 0.558 111 G N -0.377 108.426 108.800 0.005 0.000 2.721 111 G HA2 0.494 4.471 3.960 0.028 0.000 0.296 111 G HA3 0.494 4.471 3.960 0.028 0.000 0.296 111 G C -1.725 173.179 174.900 0.007 0.000 1.383 111 G CA -0.662 44.441 45.100 0.006 0.000 0.788 111 G HN 0.105 nan 8.290 nan 0.000 0.500 112 Q N -0.077 119.729 119.800 0.009 0.000 2.261 112 Q HA 0.611 4.969 4.340 0.028 0.000 0.252 112 Q C 0.389 176.398 176.000 0.015 0.000 0.915 112 Q CA -0.487 55.323 55.803 0.012 0.000 0.915 112 Q CB 1.254 30.000 28.738 0.013 0.000 1.204 112 Q HN 0.819 nan 8.270 nan 0.000 0.421 113 A N 4.094 126.924 122.820 0.017 0.000 2.366 113 A HA 0.257 4.594 4.320 0.028 0.000 0.249 113 A C -0.679 176.925 177.584 0.034 0.000 1.084 113 A CA -0.125 51.926 52.037 0.024 0.000 0.794 113 A CB 0.436 19.449 19.000 0.022 0.000 1.034 113 A HN 0.837 nan 8.150 nan 0.000 0.491 114 E N 0.342 120.571 120.200 0.049 0.000 2.234 114 E HA 0.464 4.831 4.350 0.028 0.000 0.266 114 E C -0.944 175.732 176.600 0.127 0.000 0.877 114 E CA -0.684 55.758 56.400 0.071 0.000 0.758 114 E CB 1.965 31.697 29.700 0.054 0.000 1.170 114 E HN 0.726 nan 8.360 nan 0.000 0.415 115 T N -0.160 114.473 114.554 0.132 0.000 2.859 115 T HA 0.747 5.114 4.350 0.028 0.000 0.281 115 T C -0.446 174.407 174.700 0.255 0.000 1.005 115 T CA -0.732 61.461 62.100 0.154 0.000 1.025 115 T CB 0.559 69.462 68.868 0.057 0.000 0.977 115 T HN 0.435 nan 8.240 nan 0.000 0.458 116 F N -1.122 118.826 119.950 -0.003 0.000 2.685 116 F HA 0.806 5.351 4.527 0.030 0.000 0.315 116 F C -1.110 174.674 175.800 -0.026 0.000 1.126 116 F CA -1.177 56.830 58.000 0.012 0.000 0.950 116 F CB 0.993 40.012 39.000 0.033 0.000 1.360 116 F HN 0.576 nan 8.300 nan 0.000 0.469 117 T N 1.864 116.298 114.554 -0.200 0.000 2.855 117 T HA 0.668 5.035 4.350 0.028 0.000 0.281 117 T C -0.975 173.469 174.700 -0.427 0.000 1.007 117 T CA -0.578 61.252 62.100 -0.450 0.000 1.009 117 T CB 1.752 70.413 68.868 -0.345 0.000 0.983 117 T HN 0.578 nan 8.240 nan 0.000 0.455 118 V N 2.965 122.540 119.914 -0.565 0.000 2.435 118 V HA 0.523 4.660 4.120 0.028 0.000 0.290 118 V C -0.995 174.861 176.094 -0.395 0.000 1.030 118 V CA -0.920 61.225 62.300 -0.258 0.000 0.881 118 V CB 1.167 32.885 31.823 -0.175 0.000 0.983 118 V HN 0.833 nan 8.190 nan 0.000 0.445 119 W N 3.513 124.802 121.300 -0.019 0.000 2.639 119 W HA 0.841 5.518 4.660 0.027 0.000 0.347 119 W C 0.117 176.606 176.519 -0.050 0.000 1.067 119 W CA -0.691 56.633 57.345 -0.035 0.000 1.218 119 W CB 1.426 30.875 29.460 -0.018 0.000 1.393 119 W HN 0.405 nan 8.180 nan 0.000 0.557 120 R N 0.973 121.568 120.500 0.158 0.000 2.584 120 R HA 0.556 4.913 4.340 0.028 0.000 0.276 120 R C -0.556 175.720 176.300 -0.040 0.000 1.046 120 R CA -0.344 55.771 56.100 0.025 0.000 0.906 120 R CB 1.695 31.983 30.300 -0.021 0.000 1.215 120 R HN 0.628 nan 8.270 nan 0.000 0.449 121 T N -0.935 113.515 114.554 -0.174 0.000 2.841 121 T HA 0.178 4.545 4.350 0.028 0.000 0.276 121 T C 0.937 175.458 174.700 -0.299 0.000 1.003 121 T CA -0.465 61.430 62.100 -0.341 0.000 0.995 121 T CB 1.284 69.640 68.868 -0.853 0.000 1.260 121 T HN 0.282 nan 8.240 nan 0.000 0.581 122 V N 0.716 120.400 119.914 -0.383 0.000 2.688 122 V HA -0.153 3.984 4.120 0.028 0.000 0.256 122 V C 1.829 177.542 176.094 -0.636 0.000 1.084 122 V CA 1.742 63.743 62.300 -0.498 0.000 1.103 122 V CB -1.239 30.172 31.823 -0.687 0.000 0.688 122 V HN 0.877 nan 8.190 nan 0.000 0.480 123 H N -0.316 118.478 119.070 -0.459 0.000 2.575 123 H HA 0.487 5.060 4.556 0.028 0.000 0.267 123 H C 0.986 176.118 175.328 -0.326 0.000 0.966 123 H CA 0.852 56.576 56.048 -0.541 0.000 1.165 123 H CB 0.619 29.948 29.762 -0.722 0.000 1.433 123 H HN 0.588 nan 8.280 nan 0.000 0.544 124 G N 0.633 109.338 108.800 -0.159 0.000 2.347 124 G HA2 -0.178 3.799 3.960 0.028 0.000 0.341 124 G HA3 -0.178 3.799 3.960 0.028 0.000 0.341 124 G C -1.265 173.598 174.900 -0.062 0.000 1.287 124 G CA -1.082 43.954 45.100 -0.106 0.000 0.984 124 G HN 0.093 nan 8.290 nan 0.000 0.526 125 N N 0.013 118.699 118.700 -0.024 0.000 2.508 125 N HA 0.381 5.138 4.740 0.028 0.000 0.264 125 N C 0.581 176.125 175.510 0.058 0.000 1.216 125 N CA -0.310 52.756 53.050 0.026 0.000 0.943 125 N CB 0.589 39.108 38.487 0.052 0.000 1.113 125 N HN 0.447 nan 8.380 nan 0.000 0.447 126 I N 2.599 123.229 120.570 0.101 0.000 2.441 126 I HA 0.023 4.210 4.170 0.028 0.000 0.287 126 I C 1.595 177.801 176.117 0.148 0.000 1.049 126 I CA 0.011 61.379 61.300 0.113 0.000 1.381 126 I CB 0.585 38.660 38.000 0.124 0.000 1.409 126 I HN 0.456 nan 8.210 nan 0.000 0.523 127 L N 5.165 126.475 121.223 0.145 0.000 2.168 127 L HA 0.013 4.370 4.340 0.028 0.000 0.203 127 L C 0.704 177.662 176.870 0.148 0.000 1.078 127 L CA 0.706 55.631 54.840 0.143 0.000 0.780 127 L CB 0.041 42.181 42.059 0.134 0.000 0.939 127 L HN 0.704 nan 8.230 nan 0.000 0.451 128 Q N -1.153 118.751 119.800 0.173 0.000 2.578 128 Q HA 0.437 4.794 4.340 0.028 0.000 0.284 128 Q C -1.095 175.025 176.000 0.201 0.000 0.960 128 Q CA -0.822 55.082 55.803 0.169 0.000 0.809 128 Q CB 1.933 30.761 28.738 0.150 0.000 1.462 128 Q HN -0.025 nan 8.270 nan 0.000 0.392 129 T N -1.732 112.902 114.554 0.133 0.000 2.903 129 T HA 0.515 4.882 4.350 0.028 0.000 0.299 129 T C -1.425 173.330 174.700 0.092 0.000 1.093 129 T CA -0.597 61.549 62.100 0.076 0.000 1.002 129 T CB 1.963 70.812 68.868 -0.032 0.000 1.127 129 T HN 0.555 nan 8.240 nan 0.000 0.488 130 D N 1.207 121.654 120.400 0.077 0.000 2.454 130 D HA 0.314 4.971 4.640 0.028 0.000 0.247 130 D C 1.079 177.397 176.300 0.030 0.000 1.129 130 D CA -0.479 53.567 54.000 0.076 0.000 0.877 130 D CB 1.694 42.569 40.800 0.125 0.000 1.082 130 D HN 0.660 nan 8.370 nan 0.000 0.537 131 Q N 0.878 120.690 119.800 0.020 0.000 2.224 131 Q HA -0.098 4.259 4.340 0.028 0.000 0.203 131 Q C 1.942 177.950 176.000 0.013 0.000 0.970 131 Q CA 1.561 57.367 55.803 0.005 0.000 0.865 131 Q CB -0.132 28.608 28.738 0.002 0.000 0.922 131 Q HN 0.601 nan 8.270 nan 0.000 0.445 132 T N -0.757 113.811 114.554 0.024 0.000 2.684 132 T HA -0.180 4.187 4.350 0.028 0.000 0.267 132 T C 2.058 176.774 174.700 0.026 0.000 1.036 132 T CA 1.717 63.832 62.100 0.025 0.000 1.148 132 T CB -0.657 68.230 68.868 0.032 0.000 0.863 132 T HN 0.437 nan 8.240 nan 0.000 0.436 133 T N -1.836 112.737 114.554 0.032 0.000 3.069 133 T HA 0.205 4.572 4.350 0.028 0.000 0.252 133 T C 0.373 175.084 174.700 0.019 0.000 1.053 133 T CA -0.224 61.893 62.100 0.030 0.000 0.964 133 T CB -0.278 68.615 68.868 0.040 0.000 1.005 133 T HN 0.331 nan 8.240 nan 0.000 0.532 134 Q N 1.143 120.950 119.800 0.012 0.000 2.453 134 Q HA -0.116 4.241 4.340 0.028 0.000 0.330 134 Q C -0.767 175.228 176.000 -0.008 0.000 1.417 134 Q CA 0.956 56.764 55.803 0.009 0.000 0.902 134 Q CB -2.543 26.213 28.738 0.030 0.000 1.154 134 Q HN 0.688 nan 8.270 nan 0.000 0.395 135 T N -0.422 114.096 114.554 -0.059 0.000 2.893 135 T HA 0.806 5.173 4.350 0.028 0.000 0.293 135 T C -0.695 173.857 174.700 -0.246 0.000 1.027 135 T CA -0.018 61.973 62.100 -0.183 0.000 0.988 135 T CB 2.041 70.747 68.868 -0.270 0.000 1.043 135 T HN 0.389 nan 8.240 nan 0.000 0.461 136 A N 2.309 124.934 122.820 -0.325 0.000 2.393 136 A HA 0.787 5.125 4.320 0.028 0.000 0.306 136 A C -1.791 175.582 177.584 -0.352 0.000 1.050 136 A CA -0.692 51.204 52.037 -0.234 0.000 0.724 136 A CB 0.917 19.828 19.000 -0.149 0.000 1.248 136 A HN 0.801 nan 8.150 nan 0.000 0.424 137 Y N 1.006 121.304 120.300 -0.003 0.000 2.331 137 Y HA 0.570 5.137 4.550 0.030 0.000 0.338 137 Y C 0.653 176.558 175.900 0.008 0.000 0.992 137 Y CA -0.039 58.064 58.100 0.005 0.000 1.121 137 Y CB 1.974 40.443 38.460 0.015 0.000 1.184 137 Y HN 0.847 nan 8.280 nan 0.000 0.469 138 A N 4.002 126.900 122.820 0.131 0.000 2.330 138 A HA 0.584 4.921 4.320 0.028 0.000 0.327 138 A C -0.789 176.864 177.584 0.116 0.000 1.155 138 A CA -1.047 51.040 52.037 0.083 0.000 0.803 138 A CB 0.904 19.909 19.000 0.008 0.000 1.208 138 A HN 0.724 nan 8.150 nan 0.000 0.477 139 K N 1.823 122.270 120.400 0.078 0.000 2.264 139 K HA 0.392 4.729 4.320 0.028 0.000 0.277 139 K C -0.422 176.187 176.600 0.015 0.000 1.067 139 K CA -0.008 56.319 56.287 0.066 0.000 0.900 139 K CB 0.688 33.222 32.500 0.057 0.000 1.124 139 K HN 0.572 nan 8.250 nan 0.000 0.469 140 S N 4.231 119.957 115.700 0.044 0.000 2.429 140 S HA 0.406 4.893 4.470 0.028 0.000 0.302 140 S C -0.756 173.879 174.600 0.058 0.000 1.115 140 S CA -0.832 57.334 58.200 -0.056 0.000 1.095 140 S CB 0.442 63.514 63.200 -0.215 0.000 0.987 140 S HN 0.618 nan 8.310 nan 0.000 0.474 141 R N 2.919 123.353 120.500 -0.109 0.000 2.393 141 R HA 0.552 4.909 4.340 0.028 0.000 0.310 141 R C 1.091 177.342 176.300 -0.082 0.000 0.968 141 R CA -0.291 55.619 56.100 -0.316 0.000 0.867 141 R CB 1.159 30.690 30.300 -1.281 0.000 1.124 141 R HN 0.695 nan 8.270 nan 0.000 0.450 142 A N 3.900 126.733 122.820 0.022 0.000 2.019 142 A HA -0.111 4.226 4.320 0.028 0.000 0.219 142 A C 1.058 178.645 177.584 0.004 0.000 1.164 142 A CA 0.831 52.872 52.037 0.007 0.000 0.644 142 A CB -0.408 18.455 19.000 -0.229 0.000 0.805 142 A HN 0.950 nan 8.150 nan 0.000 0.449 143 W N -0.154 121.133 121.300 -0.020 0.000 3.345 143 W HA 0.251 4.928 4.660 0.029 0.000 0.282 143 W C -0.478 176.037 176.519 -0.008 0.000 1.302 143 W CA -0.373 56.938 57.345 -0.056 0.000 1.724 143 W CB -1.195 28.206 29.460 -0.097 0.000 1.104 143 W HN 0.348 nan 8.180 nan 0.000 0.694 144 D N 1.449 121.764 120.400 -0.140 0.000 2.472 144 D HA 0.253 4.910 4.640 0.028 0.000 0.248 144 D C 1.556 177.869 176.300 0.022 0.000 1.174 144 D CA 2.750 56.677 54.000 -0.121 0.000 0.883 144 D CB 0.293 40.984 40.800 -0.182 0.000 1.149 144 D HN 0.320 nan 8.370 nan 0.000 0.488 145 G N 3.813 112.652 108.800 0.064 0.000 2.194 145 G HA2 -0.297 3.680 3.960 0.028 0.000 0.236 145 G HA3 -0.297 3.680 3.960 0.028 0.000 0.236 145 G C 0.810 175.749 174.900 0.064 0.000 0.987 145 G CA 0.304 45.434 45.100 0.050 0.000 0.635 145 G HN 0.569 nan 8.290 nan 0.000 0.520 146 K N -0.046 120.421 120.400 0.112 0.000 2.537 146 K HA 0.341 4.678 4.320 0.028 0.000 0.206 146 K C 1.385 178.032 176.600 0.077 0.000 1.041 146 K CA 0.087 56.418 56.287 0.073 0.000 1.090 146 K CB 0.559 33.094 32.500 0.058 0.000 0.833 146 K HN 0.293 nan 8.250 nan 0.000 0.493 147 E N 0.623 120.896 120.200 0.120 0.000 2.031 147 E HA -0.157 4.210 4.350 0.028 0.000 0.193 147 E C 1.745 178.343 176.600 -0.004 0.000 0.994 147 E CA 1.291 57.729 56.400 0.062 0.000 0.800 147 E CB -0.002 29.768 29.700 0.116 0.000 0.752 147 E HN -0.016 nan 8.360 nan 0.000 0.447 148 V N 0.864 120.782 119.914 0.007 0.000 2.358 148 V HA -0.226 3.911 4.120 0.028 0.000 0.246 148 V C 2.185 178.272 176.094 -0.013 0.000 1.047 148 V CA 1.678 63.971 62.300 -0.011 0.000 1.035 148 V CB -0.758 31.063 31.823 -0.004 0.000 0.658 148 V HN 0.354 nan 8.190 nan 0.000 0.452 149 A N -0.348 122.466 122.820 -0.011 0.000 1.972 149 A HA -0.203 4.134 4.320 0.028 0.000 0.219 149 A C 2.471 180.031 177.584 -0.040 0.000 1.169 149 A CA 2.226 54.249 52.037 -0.022 0.000 0.635 149 A CB -0.580 18.397 19.000 -0.038 0.000 0.810 149 A HN 0.517 nan 8.150 nan 0.000 0.446 150 S N -0.557 115.113 115.700 -0.049 0.000 2.368 150 S HA -0.084 4.403 4.470 0.028 0.000 0.224 150 S C 1.871 176.512 174.600 0.069 0.000 1.029 150 S CA 1.143 59.308 58.200 -0.058 0.000 0.988 150 S CB -0.444 62.700 63.200 -0.094 0.000 0.838 150 S HN 0.592 nan 8.310 nan 0.000 0.462 151 L N 1.289 122.532 121.223 0.034 0.000 2.046 151 L HA -0.076 4.281 4.340 0.028 0.000 0.208 151 L C 1.968 178.862 176.870 0.041 0.000 1.077 151 L CA 1.411 56.266 54.840 0.026 0.000 0.747 151 L CB -0.238 41.776 42.059 -0.076 0.000 0.896 151 L HN 0.293 nan 8.230 nan 0.000 0.432 152 L N -0.382 120.840 121.223 -0.002 0.000 2.156 152 L HA -0.126 4.231 4.340 0.028 0.000 0.208 152 L C 2.833 179.696 176.870 -0.011 0.000 1.095 152 L CA 0.880 55.684 54.840 -0.061 0.000 0.770 152 L CB -0.725 41.337 42.059 0.004 0.000 0.914 152 L HN 0.345 nan 8.230 nan 0.000 0.439 153 A N -0.665 122.186 122.820 0.053 0.000 1.902 153 A HA -0.247 4.090 4.320 0.028 0.000 0.217 153 A C 2.086 179.773 177.584 0.172 0.000 1.181 153 A CA 1.201 53.269 52.037 0.052 0.000 0.623 153 A CB -0.841 18.088 19.000 -0.118 0.000 0.818 153 A HN 0.570 nan 8.150 nan 0.000 0.443 154 W N 1.011 122.358 121.300 0.079 0.000 2.595 154 W HA -0.038 4.639 4.660 0.029 0.000 0.257 154 W C 1.765 178.201 176.519 -0.138 0.000 1.267 154 W CA 1.712 59.077 57.345 0.033 0.000 1.300 154 W CB -0.596 28.890 29.460 0.044 0.000 1.120 154 W HN 0.406 nan 8.180 nan 0.000 0.618 155 T N -1.944 112.662 114.554 0.086 0.000 2.901 155 T HA -0.096 4.271 4.350 0.028 0.000 0.252 155 T C 1.278 175.997 174.700 0.032 0.000 1.035 155 T CA 1.285 63.367 62.100 -0.030 0.000 1.142 155 T CB -0.464 68.303 68.868 -0.168 0.000 0.869 155 T HN 0.162 nan 8.240 nan 0.000 0.442 156 H N 1.728 120.856 119.070 0.097 0.000 2.456 156 H HA -0.087 4.487 4.556 0.029 0.000 0.296 156 H C 2.532 177.836 175.328 -0.040 0.000 1.079 156 H CA 1.296 57.368 56.048 0.040 0.000 1.322 156 H CB -0.038 29.719 29.762 -0.008 0.000 1.388 156 H HN 0.461 nan 8.280 nan 0.000 0.538 157 Q N 0.634 120.438 119.800 0.006 0.000 2.234 157 Q HA -0.167 4.191 4.340 0.028 0.000 0.206 157 Q C 1.747 177.613 176.000 -0.223 0.000 0.980 157 Q CA 1.686 57.418 55.803 -0.120 0.000 0.869 157 Q CB -0.389 28.147 28.738 -0.338 0.000 0.912 157 Q HN 0.490 nan 8.270 nan 0.000 0.436 158 M N 0.066 119.461 119.600 -0.340 0.000 2.460 158 M HA -0.048 4.449 4.480 0.028 0.000 0.263 158 M C 1.271 177.584 176.300 0.022 0.000 1.071 158 M CA 1.332 56.373 55.300 -0.431 0.000 1.096 158 M CB -0.014 32.553 32.600 -0.055 0.000 1.408 158 M HN 0.187 nan 8.290 nan 0.000 0.463 159 K N 0.235 120.640 120.400 0.008 0.000 2.404 159 K HA 0.263 4.600 4.320 0.028 0.000 0.194 159 K C 0.463 177.107 176.600 0.073 0.000 1.023 159 K CA -0.287 55.994 56.287 -0.009 0.000 1.094 159 K CB 0.325 32.724 32.500 -0.169 0.000 0.841 159 K HN 0.172 nan 8.250 nan 0.000 0.523 160 A N 1.552 124.457 122.820 0.140 0.000 2.462 160 A HA 0.067 4.404 4.320 0.028 0.000 0.243 160 A C 0.567 178.301 177.584 0.249 0.000 1.076 160 A CA 0.225 52.390 52.037 0.213 0.000 0.773 160 A CB 0.335 19.552 19.000 0.361 0.000 1.010 160 A HN 0.015 nan 8.150 nan 0.000 0.493 161 K N 0.793 121.320 120.400 0.212 0.000 2.402 161 K HA 0.140 4.478 4.320 0.028 0.000 0.204 161 K C -0.477 176.266 176.600 0.238 0.000 1.056 161 K CA 0.295 56.701 56.287 0.198 0.000 1.069 161 K CB -0.041 32.541 32.500 0.137 0.000 0.888 161 K HN 0.952 nan 8.250 nan 0.000 0.546 162 N N -2.735 116.154 118.700 0.314 0.000 3.116 162 N HA 0.017 4.774 4.740 0.028 0.000 0.244 162 N C 0.202 175.933 175.510 0.369 0.000 1.485 162 N CA -0.899 52.371 53.050 0.366 0.000 0.884 162 N CB -0.056 38.568 38.487 0.229 0.000 1.415 162 N HN -0.054 nan 8.380 nan 0.000 0.524 163 W N 0.372 121.624 121.300 -0.080 0.000 2.335 163 W HA -0.190 4.487 4.660 0.027 0.000 0.311 163 W C 0.634 177.088 176.519 -0.108 0.000 1.213 163 W CA 1.967 59.062 57.345 -0.416 0.000 1.274 163 W CB -0.021 28.959 29.460 -0.801 0.000 1.148 163 W HN 0.542 nan 8.180 nan 0.000 0.498 164 Q N 0.588 120.358 119.800 -0.051 0.000 2.119 164 Q HA -0.180 4.177 4.340 0.028 0.000 0.201 164 Q C 1.900 177.830 176.000 -0.116 0.000 0.972 164 Q CA 1.776 57.487 55.803 -0.155 0.000 0.847 164 Q CB -0.735 27.977 28.738 -0.043 0.000 0.903 164 Q HN 0.567 nan 8.270 nan 0.000 0.433 165 E N -0.492 119.710 120.200 0.003 0.000 2.106 165 E HA -0.176 4.191 4.350 0.028 0.000 0.192 165 E C 1.689 178.314 176.600 0.042 0.000 0.984 165 E CA 0.688 57.100 56.400 0.020 0.000 0.806 165 E CB -0.178 29.570 29.700 0.080 0.000 0.750 165 E HN 0.359 nan 8.360 nan 0.000 0.458 166 W N 1.829 123.075 121.300 -0.090 0.000 2.409 166 W HA -0.161 4.515 4.660 0.027 0.000 0.299 166 W C 2.521 178.926 176.519 -0.189 0.000 1.203 166 W CA 2.411 59.728 57.345 -0.048 0.000 1.298 166 W CB -0.332 29.217 29.460 0.147 0.000 1.127 166 W HN 0.016 nan 8.180 nan 0.000 0.528 167 T N -1.493 112.861 114.554 -0.333 0.000 2.915 167 T HA -0.223 4.144 4.350 0.028 0.000 0.269 167 T C 1.571 175.921 174.700 -0.583 0.000 1.071 167 T CA 1.574 63.320 62.100 -0.589 0.000 1.132 167 T CB -0.553 67.896 68.868 -0.698 0.000 0.878 167 T HN 0.351 nan 8.240 nan 0.000 0.479 168 Q N 0.243 119.793 119.800 -0.416 0.000 2.170 168 Q HA -0.098 4.259 4.340 0.028 0.000 0.203 168 Q C 2.598 178.335 176.000 -0.438 0.000 0.976 168 Q CA 1.210 56.772 55.803 -0.401 0.000 0.858 168 Q CB -0.081 28.508 28.738 -0.250 0.000 0.907 168 Q HN 0.531 nan 8.270 nan 0.000 0.433 169 Q N -0.579 118.989 119.800 -0.387 0.000 2.212 169 Q HA 0.045 4.402 4.340 0.028 0.000 0.199 169 Q C 2.010 177.676 176.000 -0.556 0.000 0.950 169 Q CA 1.019 56.616 55.803 -0.344 0.000 0.863 169 Q CB -0.155 28.477 28.738 -0.176 0.000 0.944 169 Q HN 0.331 nan 8.270 nan 0.000 0.465 170 A N 1.367 123.742 122.820 -0.742 0.000 1.940 170 A HA -0.107 4.231 4.320 0.028 0.000 0.219 170 A C 2.248 179.237 177.584 -0.993 0.000 1.176 170 A CA 1.806 53.182 52.037 -1.102 0.000 0.631 170 A CB -0.575 17.869 19.000 -0.926 0.000 0.814 170 A HN 0.332 nan 8.150 nan 0.000 0.446 171 A N -0.581 121.556 122.820 -1.138 0.000 2.121 171 A HA -0.074 4.263 4.320 0.028 0.000 0.218 171 A C 1.917 179.102 177.584 -0.665 0.000 1.154 171 A CA 1.539 52.826 52.037 -1.251 0.000 0.679 171 A CB -0.299 17.755 19.000 -1.577 0.000 0.795 171 A HN 0.581 nan 8.150 nan 0.000 0.458 172 K N -0.735 119.328 120.400 -0.561 0.000 2.367 172 K HA 0.077 4.414 4.320 0.028 0.000 0.194 172 K C 0.648 177.014 176.600 -0.389 0.000 1.027 172 K CA -0.092 55.967 56.287 -0.381 0.000 1.075 172 K CB 0.303 32.636 32.500 -0.278 0.000 0.845 172 K HN 0.278 nan 8.250 nan 0.000 0.529 173 Q N 0.935 120.381 119.800 -0.591 0.000 2.337 173 Q HA 0.204 4.561 4.340 0.028 0.000 0.255 173 Q C 0.025 175.711 176.000 -0.524 0.000 0.997 173 Q CA -0.026 55.387 55.803 -0.651 0.000 0.925 173 Q CB 1.524 29.521 28.738 -1.235 0.000 1.212 173 Q HN 0.228 nan 8.270 nan 0.000 0.436 174 A N 5.394 128.004 122.820 -0.351 0.000 2.267 174 A HA 0.218 4.555 4.320 0.028 0.000 0.213 174 A C 0.693 178.108 177.584 -0.282 0.000 1.192 174 A CA -0.044 51.841 52.037 -0.255 0.000 0.851 174 A CB 0.304 19.255 19.000 -0.081 0.000 0.881 174 A HN 0.661 nan 8.150 nan 0.000 0.494 175 L N -0.693 120.295 121.223 -0.393 0.000 2.456 175 L HA 0.225 4.582 4.340 0.028 0.000 0.257 175 L C 0.916 177.566 176.870 -0.366 0.000 1.162 175 L CA -0.339 54.218 54.840 -0.473 0.000 0.808 175 L CB 0.685 42.463 42.059 -0.468 0.000 1.136 175 L HN 0.062 nan 8.230 nan 0.000 0.466 176 T N 3.600 117.996 114.554 -0.264 0.000 2.987 176 T HA 0.385 4.752 4.350 0.028 0.000 0.288 176 T C -0.395 174.201 174.700 -0.172 0.000 0.981 176 T CA -0.352 61.651 62.100 -0.162 0.000 1.031 176 T CB -0.891 68.024 68.868 0.079 0.000 0.976 176 T HN 0.203 nan 8.240 nan 0.000 0.612 177 I N 4.446 124.869 120.570 -0.244 0.000 2.534 177 I HA 0.364 4.551 4.170 0.028 0.000 0.288 177 I C -0.202 175.901 176.117 -0.024 0.000 1.077 177 I CA -1.142 60.127 61.300 -0.052 0.000 1.051 177 I CB 1.907 39.917 38.000 0.016 0.000 1.234 177 I HN 0.436 nan 8.210 nan 0.000 0.425 178 N N 4.855 123.706 118.700 0.253 0.000 2.470 178 N HA 0.160 4.917 4.740 0.028 0.000 0.268 178 N C -1.026 174.700 175.510 0.359 0.000 1.136 178 N CA 0.030 53.257 53.050 0.295 0.000 0.961 178 N CB 1.109 39.945 38.487 0.582 0.000 1.067 178 N HN 0.391 nan 8.380 nan 0.000 0.468 179 W N 2.433 123.653 121.300 -0.133 0.000 2.606 179 W HA 0.407 5.083 4.660 0.027 0.000 0.332 179 W C -0.604 176.043 176.519 0.213 0.000 1.052 179 W CA -0.554 56.870 57.345 0.131 0.000 1.223 179 W CB 0.483 29.962 29.460 0.032 0.000 1.383 179 W HN 0.347 nan 8.180 nan 0.000 0.524 180 Y N 2.218 123.073 120.300 0.925 0.000 2.512 180 Y HA 0.427 4.994 4.550 0.028 0.000 0.348 180 Y C -0.885 175.254 175.900 0.397 0.000 0.990 180 Y CA -1.501 57.016 58.100 0.695 0.000 1.033 180 Y CB 1.920 40.667 38.460 0.478 0.000 1.259 180 Y HN 0.309 nan 8.280 nan 0.000 0.461 181 Y N 1.498 121.888 120.300 0.150 0.000 2.462 181 Y HA 0.879 5.446 4.550 0.028 0.000 0.346 181 Y C -1.271 174.638 175.900 0.014 0.000 0.976 181 Y CA -1.115 56.838 58.100 -0.246 0.000 1.044 181 Y CB 1.557 39.648 38.460 -0.613 0.000 1.230 181 Y HN 0.779 nan 8.280 nan 0.000 0.455 182 A N 4.128 126.672 122.820 -0.459 0.000 2.539 182 A HA 0.741 5.078 4.320 0.028 0.000 0.296 182 A C -1.800 175.276 177.584 -0.847 0.000 1.073 182 A CA -0.359 51.475 52.037 -0.338 0.000 0.700 182 A CB 1.548 20.583 19.000 0.058 0.000 1.296 182 A HN 0.821 nan 8.150 nan 0.000 0.405 183 D N -1.230 118.686 120.400 -0.807 0.000 2.610 183 D HA 0.391 5.048 4.640 0.028 0.000 0.271 183 D C 0.860 176.393 176.300 -1.278 0.000 1.174 183 D CA 0.202 53.466 54.000 -1.226 0.000 0.949 183 D CB 0.488 40.971 40.800 -0.529 0.000 1.430 183 D HN 0.945 nan 8.370 nan 0.000 0.467 184 V N -1.420 117.869 119.914 -1.042 0.000 2.568 184 V HA -0.141 3.996 4.120 0.028 0.000 0.253 184 V C 1.003 177.010 176.094 -0.145 0.000 1.072 184 V CA 1.585 63.660 62.300 -0.376 0.000 1.084 184 V CB -0.961 30.812 31.823 -0.083 0.000 0.676 184 V HN 0.506 nan 8.190 nan 0.000 0.469 185 N N 0.972 119.590 118.700 -0.138 0.000 2.398 185 N HA 0.212 4.970 4.740 0.028 0.000 0.188 185 N C 1.563 177.047 175.510 -0.043 0.000 1.122 185 N CA 1.101 54.123 53.050 -0.047 0.000 0.866 185 N CB 0.770 39.252 38.487 -0.008 0.000 0.970 185 N HN 0.834 nan 8.380 nan 0.000 0.462 186 G N 0.428 109.181 108.800 -0.078 0.000 2.159 186 G HA2 -0.251 3.726 3.960 0.028 0.000 0.227 186 G HA3 -0.251 3.726 3.960 0.028 0.000 0.227 186 G C -0.248 174.613 174.900 -0.066 0.000 0.986 186 G CA -0.407 44.668 45.100 -0.042 0.000 0.651 186 G HN 0.400 nan 8.290 nan 0.000 0.523 187 N N 0.501 119.159 118.700 -0.070 0.000 2.525 187 N HA 0.614 5.371 4.740 0.028 0.000 0.271 187 N C 0.365 175.870 175.510 -0.009 0.000 1.194 187 N CA 0.497 53.479 53.050 -0.113 0.000 0.964 187 N CB 1.000 39.506 38.487 0.033 0.000 1.126 187 N HN 0.703 nan 8.380 nan 0.000 0.452 188 I N -2.824 117.673 120.570 -0.121 0.000 2.865 188 I HA 0.926 5.113 4.170 0.028 0.000 0.302 188 I C -0.175 175.954 176.117 0.020 0.000 1.140 188 I CA -0.922 60.426 61.300 0.080 0.000 1.021 188 I CB 2.358 40.397 38.000 0.066 0.000 1.233 188 I HN 0.543 nan 8.210 nan 0.000 0.427 189 G N 2.138 111.110 108.800 0.286 0.000 2.608 189 G HA2 0.595 4.572 3.960 0.028 0.000 0.291 189 G HA3 0.595 4.572 3.960 0.028 0.000 0.291 189 G C -2.610 172.686 174.900 0.661 0.000 1.425 189 G CA -0.598 44.656 45.100 0.257 0.000 0.787 189 G HN 0.905 nan 8.290 nan 0.000 0.484 190 Y N -0.409 120.224 120.300 0.555 0.000 2.519 190 Y HA 0.666 5.232 4.550 0.028 0.000 0.336 190 Y C -1.668 174.514 175.900 0.471 0.000 1.089 190 Y CA -1.164 57.202 58.100 0.444 0.000 1.025 190 Y CB 2.070 40.689 38.460 0.265 0.000 1.318 190 Y HN 0.643 nan 8.280 nan 0.000 0.452 191 V N 5.060 124.842 119.914 -0.220 0.000 2.569 191 V HA 0.201 4.339 4.120 0.028 0.000 0.301 191 V C -1.105 174.590 176.094 -0.664 0.000 1.044 191 V CA -0.839 61.214 62.300 -0.412 0.000 0.874 191 V CB 1.426 33.177 31.823 -0.121 0.000 1.002 191 V HN 0.851 nan 8.190 nan 0.000 0.424 192 H N 3.704 122.271 119.070 -0.838 0.000 3.205 192 H HA 0.408 4.980 4.556 0.027 0.000 0.262 192 H C 0.712 175.871 175.328 -0.282 0.000 1.333 192 H CA 0.266 56.038 56.048 -0.460 0.000 1.499 192 H CB 0.296 29.798 29.762 -0.433 0.000 1.609 192 H HN 0.852 nan 8.280 nan 0.000 0.498 193 T N 1.650 115.940 114.554 -0.440 0.000 2.849 193 T HA 0.655 5.022 4.350 0.028 0.000 0.284 193 T C 0.645 175.152 174.700 -0.323 0.000 1.004 193 T CA 0.027 61.864 62.100 -0.439 0.000 1.021 193 T CB 1.485 69.815 68.868 -0.898 0.000 1.013 193 T HN 0.893 nan 8.240 nan 0.000 0.527 194 G N -0.407 108.242 108.800 -0.251 0.000 2.361 194 G HA2 0.509 4.486 3.960 0.028 0.000 0.331 194 G HA3 0.509 4.486 3.960 0.028 0.000 0.331 194 G C -0.847 173.810 174.900 -0.405 0.000 1.324 194 G CA -0.507 44.370 45.100 -0.372 0.000 0.984 194 G HN 1.297 nan 8.290 nan 0.000 0.586 195 A N -0.294 122.207 122.820 -0.532 0.000 2.301 195 A HA 0.851 5.188 4.320 0.028 0.000 0.298 195 A C -1.075 176.041 177.584 -0.779 0.000 1.185 195 A CA -0.253 51.543 52.037 -0.403 0.000 0.830 195 A CB 0.494 19.387 19.000 -0.179 0.000 1.112 195 A HN 1.200 nan 8.150 nan 0.000 0.508 196 Y N 2.255 122.513 120.300 -0.069 0.000 2.477 196 Y HA 0.502 5.068 4.550 0.027 0.000 0.347 196 Y C -2.252 173.474 175.900 -0.290 0.000 0.981 196 Y CA -2.414 55.606 58.100 -0.133 0.000 1.033 196 Y CB 2.257 40.700 38.460 -0.028 0.000 1.245 196 Y HN 0.510 nan 8.280 nan 0.000 0.455 197 P HA 0.045 nan 4.420 nan 0.000 0.278 197 P C -0.749 176.305 177.300 -0.409 0.000 1.238 197 P CA -0.203 62.426 63.100 -0.784 0.000 0.794 197 P CB 1.261 31.709 31.700 -2.085 0.000 0.955 198 D N 2.533 122.784 120.400 -0.247 0.000 2.441 198 D HA 0.139 4.796 4.640 0.028 0.000 0.221 198 D C -0.105 176.190 176.300 -0.008 0.000 1.156 198 D CA -0.313 53.638 54.000 -0.081 0.000 0.896 198 D CB 0.079 40.876 40.800 -0.005 0.000 1.028 198 D HN 0.152 nan 8.370 nan 0.000 0.509 199 R N 2.384 122.874 120.500 -0.017 0.000 2.500 199 R HA 0.259 4.616 4.340 0.028 0.000 0.275 199 R C 0.630 177.074 176.300 0.241 0.000 1.051 199 R CA -0.820 55.383 56.100 0.170 0.000 1.088 199 R CB 0.828 31.088 30.300 -0.066 0.000 1.063 199 R HN 0.411 nan 8.270 nan 0.000 0.511 200 Q N 0.706 120.745 119.800 0.399 0.000 2.432 200 Q HA 0.001 4.358 4.340 0.028 0.000 0.264 200 Q C 0.079 176.258 176.000 0.298 0.000 1.035 200 Q CA 0.247 56.208 55.803 0.263 0.000 0.908 200 Q CB 0.974 29.809 28.738 0.163 0.000 1.280 200 Q HN 0.523 nan 8.270 nan 0.000 0.455 201 S N -0.213 115.590 115.700 0.172 0.000 2.537 201 S HA 0.307 4.794 4.470 0.028 0.000 0.286 201 S C 1.015 175.808 174.600 0.321 0.000 1.299 201 S CA 0.913 59.225 58.200 0.186 0.000 1.067 201 S CB -0.159 63.100 63.200 0.099 0.000 0.864 201 S HN 0.805 nan 8.310 nan 0.000 0.494 202 G N 3.186 112.172 108.800 0.311 0.000 2.194 202 G HA2 -0.235 3.742 3.960 0.028 0.000 0.236 202 G HA3 -0.235 3.742 3.960 0.028 0.000 0.236 202 G C 0.057 175.165 174.900 0.347 0.000 0.987 202 G CA 0.410 45.720 45.100 0.351 0.000 0.635 202 G HN 1.037 nan 8.290 nan 0.000 0.520 203 H N 1.179 120.427 119.070 0.298 0.000 2.864 203 H HA 0.456 5.029 4.556 0.028 0.000 0.281 203 H C -0.650 174.705 175.328 0.046 0.000 1.093 203 H CA -0.463 55.673 56.048 0.147 0.000 1.453 203 H CB 0.563 30.513 29.762 0.313 0.000 1.462 203 H HN 0.106 nan 8.280 nan 0.000 0.480 204 D N 7.641 128.180 120.400 0.231 0.000 2.352 204 D HA 0.029 4.686 4.640 0.028 0.000 0.245 204 D C -1.558 174.855 176.300 0.189 0.000 1.224 204 D CA -2.305 51.771 54.000 0.126 0.000 0.879 204 D CB 1.542 42.364 40.800 0.037 0.000 1.057 204 D HN 0.473 nan 8.370 nan 0.000 0.491 205 P HA -0.050 nan 4.420 nan 0.000 0.234 205 P C 0.781 178.117 177.300 0.060 0.000 1.167 205 P CA 0.455 63.571 63.100 0.027 0.000 0.763 205 P CB 0.323 31.967 31.700 -0.094 0.000 0.835 206 R N -0.986 119.542 120.500 0.047 0.000 2.275 206 R HA 0.242 4.599 4.340 0.028 0.000 0.199 206 R C 0.760 177.083 176.300 0.038 0.000 0.989 206 R CA 0.335 56.458 56.100 0.040 0.000 1.016 206 R CB -0.092 30.231 30.300 0.038 0.000 0.918 206 R HN 0.248 nan 8.270 nan 0.000 0.473 207 L N 0.189 121.427 121.223 0.026 0.000 2.393 207 L HA 0.473 4.830 4.340 0.028 0.000 0.260 207 L C -2.454 174.374 176.870 -0.071 0.000 1.002 207 L CA -2.731 52.099 54.840 -0.017 0.000 0.818 207 L CB 2.032 44.069 42.059 -0.038 0.000 1.369 207 L HN -0.252 nan 8.230 nan 0.000 0.412 208 P HA 0.140 nan 4.420 nan 0.000 0.269 208 P C -1.194 175.921 177.300 -0.309 0.000 1.217 208 P CA -0.291 62.721 63.100 -0.148 0.000 0.783 208 P CB 0.553 32.248 31.700 -0.008 0.000 0.898 209 V N -1.018 118.605 119.914 -0.486 0.000 2.715 209 V HA 0.572 4.709 4.120 0.028 0.000 0.310 209 V C -2.620 173.265 176.094 -0.350 0.000 1.054 209 V CA -3.221 58.707 62.300 -0.619 0.000 0.928 209 V CB 1.375 32.640 31.823 -0.929 0.000 1.007 209 V HN 0.329 nan 8.190 nan 0.000 0.437 210 P HA 0.214 nan 4.420 nan 0.000 0.266 210 P C 0.818 178.232 177.300 0.191 0.000 1.195 210 P CA 0.405 63.507 63.100 0.003 0.000 0.768 210 P CB 0.719 32.475 31.700 0.093 0.000 0.838 211 G N 0.755 109.656 108.800 0.168 0.000 3.189 211 G HA2 -0.044 3.933 3.960 0.028 0.000 0.225 211 G HA3 -0.044 3.933 3.960 0.028 0.000 0.225 211 G C 0.957 176.086 174.900 0.381 0.000 1.159 211 G CA 0.168 45.381 45.100 0.188 0.000 0.763 211 G HN 0.538 nan 8.290 nan 0.000 0.549 212 T N -3.223 111.492 114.554 0.268 0.000 3.118 212 T HA 0.370 4.737 4.350 0.028 0.000 0.260 212 T C 1.805 176.569 174.700 0.106 0.000 1.139 212 T CA 1.252 63.462 62.100 0.184 0.000 1.085 212 T CB 0.223 69.135 68.868 0.073 0.000 0.934 212 T HN 0.942 nan 8.240 nan 0.000 0.518 213 G N 1.457 110.359 108.800 0.170 0.000 2.797 213 G HA2 -0.210 3.767 3.960 0.028 0.000 0.195 213 G HA3 -0.210 3.767 3.960 0.028 0.000 0.195 213 G C 0.796 175.699 174.900 0.004 0.000 1.026 213 G CA 0.279 45.379 45.100 0.000 0.000 0.759 213 G HN 0.504 nan 8.290 nan 0.000 0.475 214 K N -0.225 120.150 120.400 -0.042 0.000 2.283 214 K HA 0.033 4.370 4.320 0.028 0.000 0.202 214 K C 1.430 177.754 176.600 -0.460 0.000 1.048 214 K CA 1.071 57.196 56.287 -0.269 0.000 0.948 214 K CB -0.187 32.090 32.500 -0.371 0.000 0.742 214 K HN 0.536 nan 8.250 nan 0.000 0.458 215 W N 1.975 123.352 121.300 0.128 0.000 3.239 215 W HA 0.159 4.837 4.660 0.029 0.000 0.348 215 W C -0.433 176.289 176.519 0.339 0.000 1.183 215 W CA -0.980 56.459 57.345 0.157 0.000 1.819 215 W CB 0.413 29.883 29.460 0.017 0.000 1.091 215 W HN -0.083 nan 8.180 nan 0.000 0.629 216 D N 0.091 120.747 120.400 0.427 0.000 2.449 216 D HA -0.084 4.573 4.640 0.028 0.000 0.236 216 D C 0.391 176.982 176.300 0.486 0.000 1.149 216 D CA 0.331 54.559 54.000 0.380 0.000 0.878 216 D CB 0.518 41.462 40.800 0.239 0.000 1.198 216 D HN -0.198 nan 8.370 nan 0.000 0.446 217 W N 1.615 123.151 121.300 0.392 0.000 2.170 217 W HA 0.046 4.722 4.660 0.027 0.000 0.342 217 W C 1.533 178.152 176.519 0.167 0.000 1.294 217 W CA -0.509 57.012 57.345 0.293 0.000 1.246 217 W CB -0.079 29.539 29.460 0.263 0.000 1.156 217 W HN 0.439 nan 8.180 nan 0.000 0.572 218 K N 1.377 121.985 120.400 0.346 0.000 2.288 218 K HA 0.153 4.490 4.320 0.028 0.000 0.201 218 K C 1.160 177.861 176.600 0.168 0.000 1.048 218 K CA 1.061 57.466 56.287 0.196 0.000 0.956 218 K CB 0.156 32.733 32.500 0.129 0.000 0.746 218 K HN 0.635 nan 8.250 nan 0.000 0.461 219 G N -0.034 108.881 108.800 0.192 0.000 2.398 219 G HA2 0.135 4.112 3.960 0.028 0.000 0.251 219 G HA3 0.135 4.112 3.960 0.028 0.000 0.251 219 G C -1.879 173.059 174.900 0.064 0.000 1.277 219 G CA -1.027 44.151 45.100 0.131 0.000 0.927 219 G HN -0.033 nan 8.290 nan 0.000 0.477 220 L N 0.659 121.896 121.223 0.023 0.000 2.334 220 L HA 0.607 4.964 4.340 0.028 0.000 0.273 220 L C 0.316 177.180 176.870 -0.011 0.000 1.013 220 L CA -0.907 53.913 54.840 -0.034 0.000 0.816 220 L CB 1.774 43.820 42.059 -0.023 0.000 1.278 220 L HN 0.437 nan 8.230 nan 0.000 0.431 221 L N 2.818 124.036 121.223 -0.008 0.000 2.452 221 L HA 0.250 4.607 4.340 0.028 0.000 0.267 221 L C -1.838 175.058 176.870 0.043 0.000 1.188 221 L CA -1.557 53.298 54.840 0.025 0.000 0.821 221 L CB 0.117 42.204 42.059 0.047 0.000 1.102 221 L HN 0.375 nan 8.230 nan 0.000 0.470 222 P HA -0.009 nan 4.420 nan 0.000 0.274 222 P C 0.390 177.738 177.300 0.079 0.000 1.237 222 P CA -0.371 62.762 63.100 0.055 0.000 0.793 222 P CB 0.542 32.264 31.700 0.036 0.000 0.977 223 F N 1.422 121.341 119.950 -0.052 0.000 2.202 223 F HA -0.173 4.370 4.527 0.028 0.000 0.301 223 F C 2.203 177.965 175.800 -0.064 0.000 1.082 223 F CA 1.823 59.776 58.000 -0.079 0.000 1.313 223 F CB -0.365 38.558 39.000 -0.129 0.000 1.024 223 F HN 0.454 nan 8.300 nan 0.000 0.495 224 E N -0.385 119.760 120.200 -0.091 0.000 2.160 224 E HA -0.237 4.130 4.350 0.028 0.000 0.195 224 E C 2.032 178.515 176.600 -0.195 0.000 0.991 224 E CA 1.532 57.835 56.400 -0.161 0.000 0.810 224 E CB -0.103 29.569 29.700 -0.046 0.000 0.742 224 E HN 0.368 nan 8.360 nan 0.000 0.466 225 M N 0.696 120.214 119.600 -0.137 0.000 2.506 225 M HA 0.026 4.523 4.480 0.028 0.000 0.260 225 M C 0.123 176.331 176.300 -0.154 0.000 1.104 225 M CA 0.320 55.559 55.300 -0.101 0.000 1.112 225 M CB -0.671 31.912 32.600 -0.028 0.000 1.401 225 M HN -0.046 nan 8.290 nan 0.000 0.473 226 N N 1.800 120.345 118.700 -0.258 0.000 2.454 226 N HA 0.084 4.841 4.740 0.028 0.000 0.260 226 N C -2.481 172.826 175.510 -0.339 0.000 1.218 226 N CA -0.641 52.240 53.050 -0.282 0.000 0.904 226 N CB 0.025 38.282 38.487 -0.382 0.000 1.065 226 N HN -0.038 nan 8.380 nan 0.000 0.462 227 P HA -0.018 nan 4.420 nan 0.000 0.262 227 P C -0.726 176.395 177.300 -0.298 0.000 1.182 227 P CA 0.496 63.407 63.100 -0.315 0.000 0.761 227 P CB 0.325 31.746 31.700 -0.465 0.000 0.795 228 K N 0.858 121.166 120.400 -0.153 0.000 2.575 228 K HA 0.805 5.142 4.320 0.028 0.000 0.279 228 K C -2.001 174.677 176.600 0.130 0.000 0.969 228 K CA -1.120 55.144 56.287 -0.038 0.000 0.868 228 K CB 1.912 34.408 32.500 -0.008 0.000 1.457 228 K HN 0.182 nan 8.250 nan 0.000 0.426 229 V N 1.681 121.750 119.914 0.258 0.000 2.969 229 V HA 0.527 4.664 4.120 0.028 0.000 0.304 229 V C -2.291 173.873 176.094 0.117 0.000 1.192 229 V CA -0.544 61.866 62.300 0.183 0.000 0.962 229 V CB 2.051 33.964 31.823 0.151 0.000 1.045 229 V HN 0.802 nan 8.190 nan 0.000 0.428 230 Y N 5.250 125.410 120.300 -0.233 0.000 2.361 230 Y HA 0.491 5.058 4.550 0.028 0.000 0.337 230 Y C 0.428 176.137 175.900 -0.318 0.000 0.965 230 Y CA -0.616 57.133 58.100 -0.585 0.000 1.091 230 Y CB 1.542 39.411 38.460 -0.985 0.000 1.182 230 Y HN 0.909 nan 8.280 nan 0.000 0.450 231 N N 5.317 123.632 118.700 -0.641 0.000 2.650 231 N HA -0.178 4.579 4.740 0.028 0.000 0.272 231 N C -2.724 172.651 175.510 -0.225 0.000 1.058 231 N CA 0.034 52.813 53.050 -0.452 0.000 0.765 231 N CB -0.473 37.663 38.487 -0.584 0.000 0.902 231 N HN 0.384 nan 8.380 nan 0.000 0.551 232 P HA -0.098 nan 4.420 nan 0.000 0.269 232 P C 0.515 177.751 177.300 -0.106 0.000 1.209 232 P CA 0.088 63.124 63.100 -0.107 0.000 0.776 232 P CB 0.631 32.266 31.700 -0.108 0.000 0.876 233 Q N 1.354 121.101 119.800 -0.088 0.000 2.234 233 Q HA -0.155 4.202 4.340 0.028 0.000 0.206 233 Q C 1.724 177.679 176.000 -0.075 0.000 0.980 233 Q CA 1.860 57.620 55.803 -0.071 0.000 0.869 233 Q CB -0.928 27.778 28.738 -0.054 0.000 0.912 233 Q HN 0.565 nan 8.270 nan 0.000 0.436 234 S N 0.216 115.840 115.700 -0.126 0.000 2.447 234 S HA 0.060 4.547 4.470 0.028 0.000 0.233 234 S C 1.677 176.251 174.600 -0.044 0.000 1.006 234 S CA 0.711 58.821 58.200 -0.149 0.000 0.957 234 S CB -0.345 62.594 63.200 -0.434 0.000 0.773 234 S HN 0.736 nan 8.310 nan 0.000 0.507 235 G N 0.262 109.036 108.800 -0.042 0.000 2.179 235 G HA2 -0.238 3.739 3.960 0.028 0.000 0.260 235 G HA3 -0.238 3.739 3.960 0.028 0.000 0.260 235 G C -0.080 174.911 174.900 0.152 0.000 0.977 235 G CA 0.526 45.652 45.100 0.045 0.000 0.641 235 G HN 1.294 nan 8.290 nan 0.000 0.533 236 Y N -2.016 118.282 120.300 -0.002 0.000 2.638 236 Y HA 0.788 5.355 4.550 0.028 0.000 0.335 236 Y C -0.866 175.054 175.900 0.033 0.000 1.155 236 Y CA -2.296 55.818 58.100 0.023 0.000 1.046 236 Y CB 1.112 39.585 38.460 0.022 0.000 1.303 236 Y HN 0.155 nan 8.280 nan 0.000 0.460 237 I N 2.454 123.184 120.570 0.266 0.000 2.468 237 I HA 0.750 4.937 4.170 0.028 0.000 0.285 237 I C -0.838 175.432 176.117 0.256 0.000 1.039 237 I CA -0.965 60.432 61.300 0.163 0.000 1.074 237 I CB 1.817 39.938 38.000 0.201 0.000 1.228 237 I HN 0.888 nan 8.210 nan 0.000 0.436 238 A N 6.163 129.121 122.820 0.229 0.000 2.355 238 A HA 0.781 5.118 4.320 0.028 0.000 0.317 238 A C -1.046 176.617 177.584 0.131 0.000 1.094 238 A CA -0.570 51.606 52.037 0.232 0.000 0.764 238 A CB 1.665 20.846 19.000 0.302 0.000 1.230 238 A HN 0.718 nan 8.150 nan 0.000 0.448 239 N N 1.378 120.165 118.700 0.144 0.000 2.308 239 N HA 0.285 5.042 4.740 0.028 0.000 0.283 239 N C -1.987 173.700 175.510 0.295 0.000 1.105 239 N CA -0.197 52.971 53.050 0.197 0.000 0.840 239 N CB 1.866 40.516 38.487 0.272 0.000 1.633 239 N HN 0.702 nan 8.380 nan 0.000 0.476 240 W N 3.642 125.028 121.300 0.143 0.000 1.048 240 W HA 0.310 4.981 4.660 0.019 0.000 0.296 240 W C -0.446 176.193 176.519 0.201 0.000 0.846 240 W CA -0.617 56.819 57.345 0.152 0.000 2.078 240 W CB -1.221 28.300 29.460 0.103 0.000 1.618 240 W HN 0.802 nan 8.180 nan 0.000 0.497 241 N N 1.281 120.308 118.700 0.544 0.000 2.776 241 N HA -0.259 4.498 4.740 0.028 0.000 0.250 241 N C 0.026 175.899 175.510 0.605 0.000 1.112 241 N CA 1.188 54.611 53.050 0.621 0.000 0.733 241 N CB -1.223 37.647 38.487 0.640 0.000 1.097 241 N HN 0.395 nan 8.380 nan 0.000 0.558 242 N N -0.750 118.121 118.700 0.284 0.000 2.447 242 N HA 0.254 5.011 4.740 0.028 0.000 0.271 242 N C -0.085 174.947 175.510 -0.796 0.000 1.226 242 N CA -0.480 52.492 53.050 -0.131 0.000 0.980 242 N CB 0.949 39.382 38.487 -0.091 0.000 1.206 242 N HN 0.058 nan 8.380 nan 0.000 0.558 243 S N -0.365 114.354 115.700 -1.635 0.000 2.552 243 S HA 0.079 4.566 4.470 0.028 0.000 0.289 243 S C -1.451 172.721 174.600 -0.714 0.000 1.304 243 S CA -0.954 56.211 58.200 -1.724 0.000 1.063 243 S CB 0.125 62.820 63.200 -0.842 0.000 0.848 243 S HN 0.436 nan 8.310 nan 0.000 0.499 244 P HA 0.023 nan 4.420 nan 0.000 0.217 244 P C -0.098 177.110 177.300 -0.154 0.000 1.151 244 P CA 0.799 63.751 63.100 -0.246 0.000 0.828 244 P CB 0.158 31.557 31.700 -0.502 0.000 0.788 245 Q N -1.907 117.788 119.800 -0.176 0.000 2.594 245 Q HA 0.276 4.633 4.340 0.028 0.000 0.278 245 Q C -1.261 174.746 176.000 0.011 0.000 0.961 245 Q CA -0.962 54.801 55.803 -0.067 0.000 0.844 245 Q CB 1.201 29.883 28.738 -0.093 0.000 1.475 245 Q HN -0.354 nan 8.270 nan 0.000 0.389 246 K N 2.284 122.692 120.400 0.014 0.000 2.491 246 K HA -0.060 4.277 4.320 0.028 0.000 0.279 246 K C -0.641 176.003 176.600 0.074 0.000 1.026 246 K CA 1.685 57.997 56.287 0.041 0.000 1.070 246 K CB 0.138 32.652 32.500 0.024 0.000 0.887 246 K HN 0.651 nan 8.250 nan 0.000 0.481 247 D N 1.364 121.820 120.400 0.094 0.000 3.028 247 D HA -0.282 4.375 4.640 0.028 0.000 0.207 247 D C -0.823 175.550 176.300 0.120 0.000 1.100 247 D CA 0.921 54.978 54.000 0.094 0.000 0.995 247 D CB -1.743 39.094 40.800 0.062 0.000 1.108 247 D HN 0.609 nan 8.370 nan 0.000 0.421 248 Y N 2.254 122.577 120.300 0.039 0.000 2.336 248 Y HA 0.409 4.975 4.550 0.027 0.000 0.335 248 Y C -2.002 174.021 175.900 0.205 0.000 1.046 248 Y CA -1.555 56.574 58.100 0.048 0.000 1.198 248 Y CB 0.994 39.423 38.460 -0.051 0.000 1.182 248 Y HN -0.170 nan 8.280 nan 0.000 0.502 249 P HA 0.362 nan 4.420 nan 0.000 0.288 249 P C -1.169 176.037 177.300 -0.158 0.000 1.267 249 P CA -0.421 62.572 63.100 -0.179 0.000 0.815 249 P CB 1.524 33.082 31.700 -0.237 0.000 0.989 250 A N 2.458 125.193 122.820 -0.143 0.000 2.296 250 A HA 0.359 4.696 4.320 0.028 0.000 0.264 250 A C 0.765 178.145 177.584 -0.339 0.000 1.097 250 A CA -0.284 51.386 52.037 -0.610 0.000 0.811 250 A CB -0.327 18.177 19.000 -0.828 0.000 1.072 250 A HN 0.596 nan 8.150 nan 0.000 0.495 251 S N -0.776 114.668 115.700 -0.427 0.000 2.542 251 S HA -0.065 4.422 4.470 0.028 0.000 0.287 251 S C 0.860 175.344 174.600 -0.193 0.000 1.315 251 S CA 0.688 58.719 58.200 -0.281 0.000 1.037 251 S CB 0.015 62.894 63.200 -0.536 0.000 0.822 251 S HN 0.787 nan 8.310 nan 0.000 0.513 252 D N 2.882 123.228 120.400 -0.090 0.000 2.349 252 D HA 0.040 4.697 4.640 0.028 0.000 0.224 252 D C 0.494 176.769 176.300 -0.042 0.000 1.029 252 D CA 0.077 54.053 54.000 -0.039 0.000 0.879 252 D CB -0.513 40.289 40.800 0.004 0.000 0.906 252 D HN 0.487 nan 8.370 nan 0.000 0.528 253 L N 1.342 122.497 121.223 -0.113 0.000 2.578 253 L HA -0.027 4.330 4.340 0.028 0.000 0.279 253 L C 1.272 178.038 176.870 -0.173 0.000 1.227 253 L CA -0.508 54.202 54.840 -0.216 0.000 0.900 253 L CB 0.130 42.032 42.059 -0.262 0.000 1.144 253 L HN 0.099 nan 8.230 nan 0.000 0.496 254 F N 1.699 121.563 119.950 -0.142 0.000 2.269 254 F HA -0.067 4.477 4.527 0.028 0.000 0.301 254 F C 1.911 177.649 175.800 -0.103 0.000 1.082 254 F CA 0.837 58.769 58.000 -0.115 0.000 1.360 254 F CB -0.631 38.202 39.000 -0.279 0.000 1.041 254 F HN 0.430 nan 8.300 nan 0.000 0.512 255 A N -0.857 121.711 122.820 -0.420 0.000 2.278 255 A HA 0.197 4.534 4.320 0.028 0.000 0.212 255 A C -0.109 177.404 177.584 -0.119 0.000 1.213 255 A CA -0.094 51.822 52.037 -0.201 0.000 0.840 255 A CB -1.136 17.624 19.000 -0.401 0.000 0.866 255 A HN 0.405 nan 8.150 nan 0.000 0.489 256 F N 0.081 119.883 119.950 -0.247 0.000 2.477 256 F HA 0.687 5.229 4.527 0.025 0.000 0.335 256 F C -0.939 174.710 175.800 -0.253 0.000 1.130 256 F CA -1.195 56.629 58.000 -0.293 0.000 0.948 256 F CB 1.093 39.856 39.000 -0.396 0.000 1.154 256 F HN -0.060 nan 8.300 nan 0.000 0.439 257 L N 4.805 125.762 121.223 -0.444 0.000 2.409 257 L HA 0.412 4.769 4.340 0.028 0.000 0.262 257 L C -1.571 175.168 176.870 -0.219 0.000 0.992 257 L CA -0.785 53.929 54.840 -0.209 0.000 0.817 257 L CB 2.388 44.429 42.059 -0.030 0.000 1.350 257 L HN 0.529 nan 8.230 nan 0.000 0.411 258 W N 2.275 123.578 121.300 0.005 0.000 2.322 258 W HA 0.665 5.341 4.660 0.026 0.000 0.321 258 W C 0.243 176.782 176.519 0.033 0.000 0.991 258 W CA -1.001 56.356 57.345 0.020 0.000 1.448 258 W CB 1.255 30.783 29.460 0.113 0.000 1.239 258 W HN 0.531 nan 8.180 nan 0.000 0.399 259 G N 0.184 109.115 108.800 0.218 0.000 3.086 259 G HA2 0.465 4.442 3.960 0.028 0.000 0.282 259 G HA3 0.465 4.442 3.960 0.028 0.000 0.282 259 G C 0.771 175.744 174.900 0.122 0.000 1.343 259 G CA -0.117 45.081 45.100 0.164 0.000 0.895 259 G HN 0.358 nan 8.290 nan 0.000 0.557 260 G N -0.213 108.686 108.800 0.165 0.000 2.442 260 G HA2 0.247 4.224 3.960 0.028 0.000 0.219 260 G HA3 0.247 4.224 3.960 0.028 0.000 0.219 260 G C 0.946 175.828 174.900 -0.030 0.000 1.141 260 G CA 1.621 46.831 45.100 0.183 0.000 0.763 260 G HN 1.235 nan 8.290 nan 0.000 0.554 261 A N 0.374 123.074 122.820 -0.201 0.000 2.279 261 A HA 0.545 4.882 4.320 0.028 0.000 0.306 261 A C -0.762 176.684 177.584 -0.231 0.000 1.300 261 A CA -0.384 51.343 52.037 -0.517 0.000 0.925 261 A CB 0.412 19.013 19.000 -0.666 0.000 1.152 261 A HN 0.193 nan 8.150 nan 0.000 0.544 262 D N 2.144 122.416 120.400 -0.213 0.000 2.990 262 D HA 0.154 4.811 4.640 0.028 0.000 0.227 262 D C 1.032 177.240 176.300 -0.152 0.000 1.249 262 D CA -0.472 53.447 54.000 -0.135 0.000 0.891 262 D CB 1.349 42.117 40.800 -0.054 0.000 1.647 262 D HN 0.627 nan 8.370 nan 0.000 0.530 263 R N 2.012 122.388 120.500 -0.207 0.000 2.241 263 R HA -0.041 4.316 4.340 0.028 0.000 0.224 263 R C 1.480 177.797 176.300 0.028 0.000 1.101 263 R CA 0.620 56.569 56.100 -0.251 0.000 0.995 263 R CB -0.288 29.602 30.300 -0.685 0.000 0.870 263 R HN 0.204 nan 8.270 nan 0.000 0.463 264 V N 1.642 121.622 119.914 0.110 0.000 2.759 264 V HA -0.172 3.965 4.120 0.028 0.000 0.256 264 V C 1.470 177.635 176.094 0.117 0.000 1.080 264 V CA 2.250 64.692 62.300 0.236 0.000 1.101 264 V CB -0.328 31.601 31.823 0.177 0.000 0.698 264 V HN 0.500 nan 8.190 nan 0.000 0.477 265 T N -0.045 114.527 114.554 0.030 0.000 2.881 265 T HA -0.125 4.242 4.350 0.028 0.000 0.270 265 T C 1.702 176.384 174.700 -0.031 0.000 1.068 265 T CA 1.305 63.397 62.100 -0.013 0.000 1.131 265 T CB -0.223 68.612 68.868 -0.056 0.000 0.871 265 T HN 0.531 nan 8.240 nan 0.000 0.479 266 E N 0.920 121.119 120.200 -0.003 0.000 2.150 266 E HA -0.003 4.364 4.350 0.028 0.000 0.193 266 E C 2.130 178.663 176.600 -0.111 0.000 0.985 266 E CA 0.694 57.072 56.400 -0.037 0.000 0.814 266 E CB -0.267 29.462 29.700 0.049 0.000 0.752 266 E HN 0.550 nan 8.360 nan 0.000 0.466 267 I N 1.333 121.850 120.570 -0.090 0.000 2.233 267 I HA -0.207 3.980 4.170 0.028 0.000 0.243 267 I C 1.904 177.851 176.117 -0.284 0.000 1.093 267 I CA 0.900 62.023 61.300 -0.296 0.000 1.380 267 I CB -0.198 37.647 38.000 -0.257 0.000 1.067 267 I HN -0.083 nan 8.210 nan 0.000 0.413 268 D N 1.075 121.399 120.400 -0.127 0.000 2.123 268 D HA -0.180 4.477 4.640 0.028 0.000 0.196 268 D C 2.300 178.503 176.300 -0.162 0.000 0.992 268 D CA 1.239 55.178 54.000 -0.102 0.000 0.833 268 D CB -0.257 40.562 40.800 0.032 0.000 0.954 268 D HN 0.317 nan 8.370 nan 0.000 0.455 269 R N 0.134 120.547 120.500 -0.146 0.000 2.105 269 R HA -0.061 4.296 4.340 0.028 0.000 0.239 269 R C 2.539 178.718 176.300 -0.201 0.000 1.135 269 R CA 0.668 56.679 56.100 -0.148 0.000 0.967 269 R CB -0.264 29.955 30.300 -0.135 0.000 0.861 269 R HN 0.249 nan 8.270 nan 0.000 0.442 270 L N 0.289 121.348 121.223 -0.272 0.000 2.240 270 L HA -0.086 4.271 4.340 0.028 0.000 0.211 270 L C 2.182 178.844 176.870 -0.347 0.000 1.106 270 L CA 0.736 55.387 54.840 -0.315 0.000 0.793 270 L CB -0.194 41.628 42.059 -0.396 0.000 0.927 270 L HN 0.184 nan 8.230 nan 0.000 0.446 271 L N -0.756 120.211 121.223 -0.427 0.000 2.131 271 L HA -0.093 4.264 4.340 0.028 0.000 0.206 271 L C 2.142 178.790 176.870 -0.370 0.000 1.087 271 L CA 1.002 55.535 54.840 -0.511 0.000 0.767 271 L CB -0.283 41.244 42.059 -0.888 0.000 0.917 271 L HN 0.243 nan 8.230 nan 0.000 0.441 272 E N -0.326 119.709 120.200 -0.275 0.000 2.435 272 E HA -0.183 4.184 4.350 0.028 0.000 0.195 272 E C 1.950 178.481 176.600 -0.115 0.000 1.029 272 E CA 0.118 56.438 56.400 -0.135 0.000 0.865 272 E CB 0.212 29.873 29.700 -0.065 0.000 0.833 272 E HN 0.413 nan 8.360 nan 0.000 0.510 273 Q N 1.356 121.070 119.800 -0.143 0.000 2.061 273 Q HA -0.138 4.220 4.340 0.028 0.000 0.204 273 Q C -0.156 175.788 176.000 -0.095 0.000 0.984 273 Q CA 1.316 57.049 55.803 -0.116 0.000 0.846 273 Q CB 0.253 28.909 28.738 -0.136 0.000 0.902 273 Q HN -0.006 nan 8.270 nan 0.000 0.421 274 K N -0.469 119.869 120.400 -0.103 0.000 2.203 274 K HA 0.273 4.610 4.320 0.028 0.000 0.251 274 K C -2.193 174.367 176.600 -0.068 0.000 0.944 274 K CA -1.891 54.348 56.287 -0.080 0.000 0.829 274 K CB 1.270 33.720 32.500 -0.083 0.000 1.125 274 K HN -0.202 nan 8.250 nan 0.000 0.430 275 P HA -0.159 nan 4.420 nan 0.000 0.216 275 P C -0.517 176.766 177.300 -0.029 0.000 1.153 275 P CA 1.283 64.364 63.100 -0.031 0.000 0.858 275 P CB 0.308 31.995 31.700 -0.022 0.000 0.789 276 R N -1.612 118.867 120.500 -0.035 0.000 2.837 276 R HA 0.647 5.004 4.340 0.028 0.000 0.271 276 R C -1.184 175.092 176.300 -0.041 0.000 0.993 276 R CA -0.973 55.111 56.100 -0.027 0.000 0.931 276 R CB 1.454 31.746 30.300 -0.013 0.000 1.206 276 R HN -0.164 nan 8.270 nan 0.000 0.474 277 L N 0.693 121.896 121.223 -0.034 0.000 2.385 277 L HA 0.420 4.777 4.340 0.028 0.000 0.273 277 L C 0.334 177.197 176.870 -0.012 0.000 0.990 277 L CA -0.546 54.271 54.840 -0.039 0.000 0.821 277 L CB 2.079 44.109 42.059 -0.049 0.000 1.279 277 L HN 0.765 nan 8.230 nan 0.000 0.412 278 T N -0.969 113.575 114.554 -0.017 0.000 2.816 278 T HA 0.503 4.870 4.350 0.028 0.000 0.282 278 T C 1.325 176.026 174.700 0.002 0.000 0.993 278 T CA -0.076 62.019 62.100 -0.009 0.000 0.994 278 T CB 1.294 70.148 68.868 -0.023 0.000 1.025 278 T HN 0.627 nan 8.240 nan 0.000 0.529 279 A N 0.883 123.701 122.820 -0.002 0.000 1.940 279 A HA -0.116 4.221 4.320 0.028 0.000 0.219 279 A C 2.019 179.588 177.584 -0.024 0.000 1.176 279 A CA 1.805 53.839 52.037 -0.005 0.000 0.631 279 A CB -1.031 17.947 19.000 -0.037 0.000 0.814 279 A HN 0.901 nan 8.150 nan 0.000 0.446 280 D N -0.569 119.790 120.400 -0.068 0.000 2.144 280 D HA -0.127 4.530 4.640 0.028 0.000 0.200 280 D C 2.210 178.521 176.300 0.017 0.000 0.978 280 D CA 1.409 55.371 54.000 -0.063 0.000 0.833 280 D CB -0.389 40.353 40.800 -0.096 0.000 0.961 280 D HN 0.647 nan 8.370 nan 0.000 0.470 281 Q N 0.358 120.154 119.800 -0.007 0.000 2.079 281 Q HA -0.036 4.321 4.340 0.028 0.000 0.200 281 Q C 2.240 178.240 176.000 0.001 0.000 0.974 281 Q CA 1.359 57.145 55.803 -0.027 0.000 0.840 281 Q CB -0.106 28.599 28.738 -0.055 0.000 0.898 281 Q HN 0.206 nan 8.270 nan 0.000 0.430 282 A N 0.892 123.752 122.820 0.067 0.000 1.933 282 A HA -0.201 4.136 4.320 0.028 0.000 0.218 282 A C 1.750 179.530 177.584 0.327 0.000 1.175 282 A CA 1.053 53.208 52.037 0.196 0.000 0.628 282 A CB -1.068 18.071 19.000 0.232 0.000 0.814 282 A HN 0.703 nan 8.150 nan 0.000 0.444 283 W N 1.073 122.388 121.300 0.026 0.000 2.388 283 W HA -0.149 4.530 4.660 0.032 0.000 0.294 283 W C 0.644 177.148 176.519 -0.024 0.000 1.212 283 W CA 1.838 59.177 57.345 -0.009 0.000 1.271 283 W CB -0.202 29.174 29.460 -0.140 0.000 1.126 283 W HN 0.384 nan 8.180 nan 0.000 0.535 284 D N 0.390 120.817 120.400 0.045 0.000 2.310 284 D HA -0.135 4.523 4.640 0.028 0.000 0.212 284 D C 2.244 178.388 176.300 -0.260 0.000 0.965 284 D CA 0.910 54.830 54.000 -0.134 0.000 0.879 284 D CB -0.341 40.399 40.800 -0.101 0.000 0.921 284 D HN 0.028 nan 8.370 nan 0.000 0.510 285 V N 0.975 120.744 119.914 -0.242 0.000 2.469 285 V HA -0.237 3.900 4.120 0.028 0.000 0.251 285 V C 2.387 178.262 176.094 -0.364 0.000 1.064 285 V CA 0.987 63.022 62.300 -0.443 0.000 1.066 285 V CB -0.340 30.963 31.823 -0.867 0.000 0.667 285 V HN 0.233 nan 8.190 nan 0.000 0.461 286 I N -0.192 120.263 120.570 -0.191 0.000 2.113 286 I HA -0.275 3.912 4.170 0.028 0.000 0.238 286 I C 2.752 178.656 176.117 -0.356 0.000 1.070 286 I CA 2.069 63.235 61.300 -0.224 0.000 1.332 286 I CB -0.513 37.203 38.000 -0.473 0.000 1.044 286 I HN 0.212 nan 8.210 nan 0.000 0.402 287 R N 0.608 120.701 120.500 -0.678 0.000 2.083 287 R HA -0.216 4.141 4.340 0.028 0.000 0.237 287 R C 2.400 178.401 176.300 -0.499 0.000 1.137 287 R CA 1.570 57.030 56.100 -1.066 0.000 0.951 287 R CB -0.088 29.447 30.300 -1.274 0.000 0.851 287 R HN 0.341 nan 8.270 nan 0.000 0.434 288 Q N -0.092 119.477 119.800 -0.385 0.000 2.046 288 Q HA -0.114 4.243 4.340 0.028 0.000 0.200 288 Q C 2.243 178.123 176.000 -0.200 0.000 0.975 288 Q CA 2.346 57.986 55.803 -0.272 0.000 0.836 288 Q CB -0.745 27.829 28.738 -0.273 0.000 0.896 288 Q HN 0.592 nan 8.270 nan 0.000 0.428 289 T N -1.711 112.711 114.554 -0.219 0.000 2.867 289 T HA -0.033 4.334 4.350 0.028 0.000 0.268 289 T C 2.151 176.881 174.700 0.050 0.000 1.057 289 T CA 1.381 63.426 62.100 -0.093 0.000 1.136 289 T CB -0.274 68.451 68.868 -0.238 0.000 0.874 289 T HN 0.022 nan 8.240 nan 0.000 0.466 290 S N 1.355 117.053 115.700 -0.004 0.000 2.400 290 S HA -0.013 4.474 4.470 0.028 0.000 0.232 290 S C 1.994 176.653 174.600 0.099 0.000 1.025 290 S CA 0.994 59.241 58.200 0.077 0.000 0.993 290 S CB -0.224 63.050 63.200 0.124 0.000 0.808 290 S HN 0.564 nan 8.310 nan 0.000 0.478 291 R N 0.033 120.554 120.500 0.034 0.000 2.397 291 R HA 0.225 4.582 4.340 0.028 0.000 0.241 291 R C 0.093 176.369 176.300 -0.040 0.000 0.914 291 R CA -0.105 56.010 56.100 0.025 0.000 1.071 291 R CB 0.332 30.625 30.300 -0.012 0.000 1.116 291 R HN 0.156 nan 8.270 nan 0.000 0.524 292 Q N 2.041 121.824 119.800 -0.029 0.000 2.314 292 Q HA 0.009 4.366 4.340 0.028 0.000 0.257 292 Q C -0.764 175.191 176.000 -0.074 0.000 0.975 292 Q CA -0.059 55.684 55.803 -0.100 0.000 0.933 292 Q CB 0.816 29.508 28.738 -0.077 0.000 1.195 292 Q HN 0.002 nan 8.270 nan 0.000 0.426 293 D N 4.189 124.500 120.400 -0.148 0.000 2.425 293 D HA -0.039 4.618 4.640 0.028 0.000 0.247 293 D C 0.255 176.515 176.300 -0.068 0.000 1.147 293 D CA 0.201 54.178 54.000 -0.038 0.000 0.879 293 D CB 0.891 41.704 40.800 0.021 0.000 1.179 293 D HN 0.768 nan 8.370 nan 0.000 0.456 294 L N 3.535 124.728 121.223 -0.050 0.000 2.509 294 L HA 0.021 4.378 4.340 0.028 0.000 0.222 294 L C 1.879 178.719 176.870 -0.051 0.000 1.123 294 L CA 0.084 54.865 54.840 -0.098 0.000 0.856 294 L CB -0.174 41.778 42.059 -0.178 0.000 0.985 294 L HN 0.389 nan 8.230 nan 0.000 0.456 295 N N -0.078 118.671 118.700 0.083 0.000 2.388 295 N HA -0.026 4.731 4.740 0.028 0.000 0.176 295 N C 1.805 177.449 175.510 0.224 0.000 1.062 295 N CA 0.358 53.553 53.050 0.242 0.000 0.895 295 N CB 0.402 39.188 38.487 0.498 0.000 1.018 295 N HN 0.165 nan 8.380 nan 0.000 0.456 296 L N 2.417 123.718 121.223 0.130 0.000 1.990 296 L HA -0.160 4.197 4.340 0.028 0.000 0.213 296 L C 2.502 179.374 176.870 0.002 0.000 1.072 296 L CA 1.752 56.637 54.840 0.075 0.000 0.755 296 L CB -0.460 41.558 42.059 -0.068 0.000 0.889 296 L HN 0.035 nan 8.230 nan 0.000 0.432 297 R N -0.747 119.707 120.500 -0.078 0.000 2.096 297 R HA -0.156 4.201 4.340 0.028 0.000 0.235 297 R C 2.224 178.450 176.300 -0.124 0.000 1.127 297 R CA 1.814 57.852 56.100 -0.104 0.000 0.968 297 R CB -0.338 29.881 30.300 -0.136 0.000 0.861 297 R HN 0.496 nan 8.270 nan 0.000 0.440 298 L N -0.691 120.387 121.223 -0.242 0.000 2.056 298 L HA -0.082 4.275 4.340 0.028 0.000 0.207 298 L C 1.583 178.217 176.870 -0.393 0.000 1.078 298 L CA 1.171 55.728 54.840 -0.473 0.000 0.749 298 L CB -0.219 41.224 42.059 -1.027 0.000 0.901 298 L HN 0.172 nan 8.230 nan 0.000 0.433 299 F N -1.950 118.103 119.950 0.172 0.000 2.720 299 F HA 0.093 4.636 4.527 0.026 0.000 0.301 299 F C 1.798 177.591 175.800 -0.012 0.000 1.103 299 F CA -0.288 57.806 58.000 0.156 0.000 1.291 299 F CB -0.229 38.916 39.000 0.242 0.000 1.086 299 F HN -0.145 nan 8.300 nan 0.000 0.592 300 L N 2.126 123.409 121.223 0.099 0.000 2.013 300 L HA -0.088 4.269 4.340 0.028 0.000 0.212 300 L C -0.698 176.180 176.870 0.013 0.000 1.073 300 L CA 2.389 57.241 54.840 0.019 0.000 0.753 300 L CB -1.673 40.392 42.059 0.010 0.000 0.890 300 L HN -0.087 nan 8.230 nan 0.000 0.432 301 P HA -0.117 nan 4.420 nan 0.000 0.215 301 P C 1.644 178.966 177.300 0.038 0.000 1.157 301 P CA 1.876 64.991 63.100 0.025 0.000 0.868 301 P CB -0.198 31.517 31.700 0.025 0.000 0.788 302 T N -0.333 114.276 114.554 0.091 0.000 2.788 302 T HA -0.095 4.272 4.350 0.028 0.000 0.268 302 T C 1.733 176.471 174.700 0.063 0.000 1.044 302 T CA 1.082 63.253 62.100 0.118 0.000 1.139 302 T CB -0.863 68.175 68.868 0.283 0.000 0.867 302 T HN 0.047 nan 8.240 nan 0.000 0.454 303 L N 0.423 121.633 121.223 -0.022 0.000 2.109 303 L HA -0.080 4.277 4.340 0.028 0.000 0.207 303 L C 2.850 179.680 176.870 -0.066 0.000 1.086 303 L CA 1.252 56.016 54.840 -0.127 0.000 0.760 303 L CB -0.450 41.434 42.059 -0.292 0.000 0.910 303 L HN 0.262 nan 8.230 nan 0.000 0.437 304 Q N -0.417 119.357 119.800 -0.043 0.000 2.079 304 Q HA -0.164 4.193 4.340 0.028 0.000 0.200 304 Q C 2.438 178.427 176.000 -0.019 0.000 0.974 304 Q CA 1.537 57.322 55.803 -0.031 0.000 0.840 304 Q CB -0.250 28.474 28.738 -0.023 0.000 0.898 304 Q HN 0.552 nan 8.270 nan 0.000 0.430 305 A N 1.055 123.871 122.820 -0.007 0.000 1.902 305 A HA -0.116 4.221 4.320 0.028 0.000 0.217 305 A C 2.293 179.876 177.584 -0.001 0.000 1.181 305 A CA 1.567 53.601 52.037 -0.004 0.000 0.623 305 A CB -0.841 18.159 19.000 0.000 0.000 0.818 305 A HN 0.394 nan 8.150 nan 0.000 0.443 306 A N -0.449 122.378 122.820 0.011 0.000 1.933 306 A HA -0.067 4.270 4.320 0.028 0.000 0.218 306 A C 2.204 179.794 177.584 0.009 0.000 1.175 306 A CA 2.298 54.349 52.037 0.023 0.000 0.628 306 A CB -1.037 18.001 19.000 0.063 0.000 0.814 306 A HN 0.814 nan 8.150 nan 0.000 0.444 307 T N -2.494 112.055 114.554 -0.008 0.000 3.105 307 T HA 0.113 4.480 4.350 0.028 0.000 0.253 307 T C 1.547 176.232 174.700 -0.025 0.000 1.047 307 T CA 0.840 62.928 62.100 -0.020 0.000 0.944 307 T CB -0.217 68.629 68.868 -0.037 0.000 1.016 307 T HN 0.526 nan 8.240 nan 0.000 0.544 308 S N 1.226 116.914 115.700 -0.020 0.000 2.402 308 S HA 0.088 4.575 4.470 0.028 0.000 0.229 308 S C 2.019 176.606 174.600 -0.021 0.000 1.021 308 S CA 0.721 58.908 58.200 -0.021 0.000 0.974 308 S CB -0.862 62.328 63.200 -0.018 0.000 0.800 308 S HN 0.608 nan 8.310 nan 0.000 0.484 309 G N 0.905 109.695 108.800 -0.018 0.000 3.371 309 G HA2 0.468 4.445 3.960 0.028 0.000 0.248 309 G HA3 0.468 4.445 3.960 0.028 0.000 0.248 309 G C 0.140 175.027 174.900 -0.021 0.000 1.161 309 G CA -0.512 44.578 45.100 -0.018 0.000 0.796 309 G HN 0.387 nan 8.290 nan 0.000 0.539 310 L N 1.474 122.681 121.223 -0.027 0.000 2.399 310 L HA 0.355 4.712 4.340 0.028 0.000 0.266 310 L C 1.244 178.089 176.870 -0.041 0.000 1.114 310 L CA -0.759 54.060 54.840 -0.034 0.000 0.804 310 L CB 1.192 43.227 42.059 -0.040 0.000 1.146 310 L HN 0.149 nan 8.230 nan 0.000 0.451 311 T N -2.176 112.352 114.554 -0.044 0.000 2.860 311 T HA -0.014 4.353 4.350 0.028 0.000 0.299 311 T C 0.764 175.427 174.700 -0.062 0.000 1.045 311 T CA -0.527 61.545 62.100 -0.046 0.000 1.071 311 T CB 1.293 70.136 68.868 -0.042 0.000 0.985 311 T HN 0.640 nan 8.240 nan 0.000 0.537 312 Q N 0.904 120.668 119.800 -0.058 0.000 2.181 312 Q HA -0.159 4.198 4.340 0.028 0.000 0.205 312 Q C 2.079 178.025 176.000 -0.090 0.000 0.980 312 Q CA 2.257 58.018 55.803 -0.070 0.000 0.862 312 Q CB -0.597 28.107 28.738 -0.056 0.000 0.905 312 Q HN 0.930 nan 8.270 nan 0.000 0.429 313 S N -0.315 115.334 115.700 -0.085 0.000 2.603 313 S HA -0.009 4.478 4.470 0.028 0.000 0.220 313 S C 0.500 175.013 174.600 -0.144 0.000 0.967 313 S CA -0.128 58.010 58.200 -0.103 0.000 0.920 313 S CB 0.058 63.215 63.200 -0.071 0.000 0.773 313 S HN 0.223 nan 8.310 nan 0.000 0.529 314 D N 3.267 123.584 120.400 -0.139 0.000 2.383 314 D HA 0.175 4.832 4.640 0.028 0.000 0.252 314 D C -1.529 174.608 176.300 -0.271 0.000 1.166 314 D CA -1.910 51.990 54.000 -0.168 0.000 0.879 314 D CB 1.696 42.428 40.800 -0.112 0.000 1.164 314 D HN 0.070 nan 8.370 nan 0.000 0.462 315 P HA -0.073 nan 4.420 nan 0.000 0.220 315 P C 1.159 178.191 177.300 -0.446 0.000 1.148 315 P CA 0.809 63.459 63.100 -0.750 0.000 0.803 315 P CB 0.392 31.126 31.700 -1.610 0.000 0.782 316 R N -0.247 120.114 120.500 -0.230 0.000 2.096 316 R HA -0.057 4.300 4.340 0.028 0.000 0.235 316 R C 2.662 178.910 176.300 -0.087 0.000 1.127 316 R CA 1.164 57.218 56.100 -0.075 0.000 0.968 316 R CB -0.486 29.805 30.300 -0.016 0.000 0.861 316 R HN 0.126 nan 8.270 nan 0.000 0.440 317 R N 1.096 121.525 120.500 -0.118 0.000 2.073 317 R HA -0.129 4.228 4.340 0.028 0.000 0.229 317 R C 2.023 178.248 176.300 -0.124 0.000 1.120 317 R CA 1.498 57.535 56.100 -0.105 0.000 0.967 317 R CB 0.075 30.317 30.300 -0.096 0.000 0.862 317 R HN 0.289 nan 8.270 nan 0.000 0.436 318 Q N 0.264 119.956 119.800 -0.179 0.000 2.124 318 Q HA -0.129 4.228 4.340 0.028 0.000 0.202 318 Q C 2.212 178.123 176.000 -0.148 0.000 0.977 318 Q CA 1.328 57.019 55.803 -0.186 0.000 0.850 318 Q CB -0.042 28.537 28.738 -0.265 0.000 0.901 318 Q HN 0.368 nan 8.270 nan 0.000 0.429 319 L N -0.151 121.006 121.223 -0.110 0.000 2.046 319 L HA -0.172 4.185 4.340 0.028 0.000 0.208 319 L C 2.257 179.096 176.870 -0.053 0.000 1.077 319 L CA 0.812 55.633 54.840 -0.031 0.000 0.747 319 L CB -0.384 41.719 42.059 0.073 0.000 0.896 319 L HN 0.115 nan 8.230 nan 0.000 0.432 320 V N -0.510 119.361 119.914 -0.072 0.000 2.548 320 V HA -0.209 3.928 4.120 0.028 0.000 0.249 320 V C 2.303 178.364 176.094 -0.054 0.000 1.055 320 V CA 1.428 63.684 62.300 -0.074 0.000 1.065 320 V CB -0.455 31.314 31.823 -0.090 0.000 0.681 320 V HN 0.434 nan 8.190 nan 0.000 0.462 321 E N 0.179 120.341 120.200 -0.064 0.000 2.110 321 E HA -0.200 4.167 4.350 0.028 0.000 0.193 321 E C 2.306 178.880 176.600 -0.044 0.000 0.988 321 E CA 1.831 58.199 56.400 -0.054 0.000 0.804 321 E CB -0.270 29.387 29.700 -0.072 0.000 0.745 321 E HN 0.582 nan 8.360 nan 0.000 0.458 322 T N 1.640 116.154 114.554 -0.067 0.000 2.720 322 T HA -0.142 4.225 4.350 0.028 0.000 0.268 322 T C 1.955 176.651 174.700 -0.006 0.000 1.037 322 T CA 0.887 62.942 62.100 -0.075 0.000 1.144 322 T CB -0.170 68.617 68.868 -0.136 0.000 0.864 322 T HN 0.105 nan 8.240 nan 0.000 0.444 323 L N 0.602 121.844 121.223 0.031 0.000 2.056 323 L HA -0.088 4.269 4.340 0.028 0.000 0.207 323 L C 2.912 179.872 176.870 0.151 0.000 1.078 323 L CA 1.141 56.071 54.840 0.151 0.000 0.749 323 L CB -1.126 40.996 42.059 0.106 0.000 0.901 323 L HN 0.262 nan 8.230 nan 0.000 0.433 324 T N -0.546 114.044 114.554 0.060 0.000 2.833 324 T HA -0.166 4.201 4.350 0.028 0.000 0.269 324 T C 1.897 176.630 174.700 0.055 0.000 1.054 324 T CA 1.151 63.274 62.100 0.038 0.000 1.135 324 T CB -0.184 68.685 68.868 0.002 0.000 0.869 324 T HN 0.292 nan 8.240 nan 0.000 0.466 325 R N -0.921 119.620 120.500 0.069 0.000 2.323 325 R HA 0.055 4.412 4.340 0.028 0.000 0.198 325 R C 0.071 176.469 176.300 0.164 0.000 0.988 325 R CA 0.082 56.226 56.100 0.073 0.000 1.041 325 R CB 0.126 30.448 30.300 0.037 0.000 0.926 325 R HN 0.324 nan 8.270 nan 0.000 0.476 326 W N 1.958 123.228 121.300 -0.049 0.000 2.551 326 W HA 0.118 4.791 4.660 0.022 0.000 0.330 326 W C 0.138 176.626 176.519 -0.051 0.000 1.063 326 W CA -1.711 55.604 57.345 -0.050 0.000 1.222 326 W CB 1.107 30.537 29.460 -0.049 0.000 1.349 326 W HN 0.027 nan 8.180 nan 0.000 0.536 327 D N 1.794 122.001 120.400 -0.322 0.000 2.340 327 D HA 0.129 4.786 4.640 0.028 0.000 0.220 327 D C 1.587 177.372 176.300 -0.859 0.000 1.039 327 D CA 0.615 54.344 54.000 -0.452 0.000 0.866 327 D CB -0.210 40.424 40.800 -0.277 0.000 0.913 327 D HN 0.777 nan 8.370 nan 0.000 0.523 328 G N 0.162 107.777 108.800 -1.974 0.000 2.179 328 G HA2 -0.235 3.742 3.960 0.028 0.000 0.260 328 G HA3 -0.235 3.742 3.960 0.028 0.000 0.260 328 G C -0.001 174.215 174.900 -1.140 0.000 0.977 328 G CA 0.143 43.932 45.100 -2.186 0.000 0.641 328 G HN 0.354 nan 8.290 nan 0.000 0.533 329 I N 1.576 121.727 120.570 -0.699 0.000 2.352 329 I HA 0.246 4.433 4.170 0.028 0.000 0.290 329 I C 0.140 176.281 176.117 0.041 0.000 1.036 329 I CA -0.818 60.343 61.300 -0.233 0.000 1.336 329 I CB 0.644 38.548 38.000 -0.160 0.000 1.407 329 I HN 0.021 nan 8.210 nan 0.000 0.497 330 N N 7.355 126.022 118.700 -0.056 0.000 2.518 330 N HA 0.564 5.322 4.740 0.028 0.000 0.283 330 N C -0.675 174.817 175.510 -0.030 0.000 1.119 330 N CA -0.278 52.647 53.050 -0.209 0.000 0.983 330 N CB 2.027 39.920 38.487 -0.990 0.000 1.139 330 N HN 0.420 nan 8.380 nan 0.000 0.465 331 L N 1.890 123.173 121.223 0.100 0.000 2.431 331 L HA 0.457 4.814 4.340 0.028 0.000 0.266 331 L C -0.169 176.937 176.870 0.392 0.000 0.978 331 L CA -0.763 54.218 54.840 0.234 0.000 0.822 331 L CB 2.137 44.289 42.059 0.156 0.000 1.310 331 L HN 0.214 nan 8.230 nan 0.000 0.409 332 L N 2.362 123.800 121.223 0.357 0.000 2.439 332 L HA 0.218 4.575 4.340 0.028 0.000 0.269 332 L C 0.555 177.529 176.870 0.173 0.000 1.179 332 L CA -0.293 54.713 54.840 0.276 0.000 0.828 332 L CB 0.259 42.420 42.059 0.171 0.000 1.106 332 L HN 0.624 nan 8.230 nan 0.000 0.467 333 N N 1.017 119.795 118.700 0.131 0.000 2.285 333 N HA -0.006 4.751 4.740 0.028 0.000 0.262 333 N C 0.433 175.982 175.510 0.065 0.000 1.299 333 N CA -0.365 52.737 53.050 0.086 0.000 0.930 333 N CB 0.453 38.979 38.487 0.065 0.000 1.157 333 N HN 0.502 nan 8.380 nan 0.000 0.532 334 D N -0.087 120.342 120.400 0.049 0.000 2.312 334 D HA -0.122 4.535 4.640 0.028 0.000 0.211 334 D C 0.843 177.161 176.300 0.030 0.000 0.964 334 D CA 0.741 54.765 54.000 0.040 0.000 0.877 334 D CB -0.225 40.595 40.800 0.033 0.000 0.924 334 D HN 0.573 nan 8.370 nan 0.000 0.515 335 D N 0.094 120.509 120.400 0.025 0.000 2.350 335 D HA -0.029 4.628 4.640 0.028 0.000 0.216 335 D C 1.613 177.917 176.300 0.007 0.000 0.968 335 D CA 0.943 54.950 54.000 0.013 0.000 0.894 335 D CB -0.640 40.164 40.800 0.008 0.000 0.909 335 D HN 0.173 nan 8.370 nan 0.000 0.520 336 G N 0.212 109.020 108.800 0.013 0.000 2.179 336 G HA2 -0.315 3.662 3.960 0.028 0.000 0.257 336 G HA3 -0.315 3.662 3.960 0.028 0.000 0.257 336 G C 0.967 175.851 174.900 -0.028 0.000 1.010 336 G CA 0.699 45.804 45.100 0.007 0.000 0.736 336 G HN 0.390 nan 8.290 nan 0.000 0.513 337 K N -1.015 119.354 120.400 -0.051 0.000 2.550 337 K HA 0.176 4.513 4.320 0.028 0.000 0.205 337 K C 1.110 177.613 176.600 -0.163 0.000 1.429 337 K CA 1.389 57.619 56.287 -0.095 0.000 0.997 337 K CB 0.384 32.845 32.500 -0.066 0.000 1.328 337 K HN 0.799 nan 8.250 nan 0.000 0.546 338 T N -1.887 112.605 114.554 -0.103 0.000 2.908 338 T HA 0.525 4.892 4.350 0.028 0.000 0.290 338 T C -0.536 174.157 174.700 -0.012 0.000 1.034 338 T CA -0.751 61.287 62.100 -0.104 0.000 1.010 338 T CB 1.686 70.543 68.868 -0.019 0.000 1.068 338 T HN -0.051 nan 8.240 nan 0.000 0.481 339 W N 1.551 122.864 121.300 0.022 0.000 2.313 339 W HA 0.334 5.006 4.660 0.020 0.000 0.328 339 W C 1.594 178.103 176.519 -0.016 0.000 1.197 339 W CA -0.994 56.365 57.345 0.023 0.000 1.235 339 W CB 0.672 30.150 29.460 0.031 0.000 1.158 339 W HN 0.926 nan 8.180 nan 0.000 0.578 340 Q N 0.678 120.629 119.800 0.251 0.000 2.170 340 Q HA -0.160 4.197 4.340 0.028 0.000 0.203 340 Q C 0.344 176.340 176.000 -0.007 0.000 0.976 340 Q CA 1.109 56.972 55.803 0.099 0.000 0.858 340 Q CB 0.235 29.028 28.738 0.092 0.000 0.907 340 Q HN 0.306 nan 8.270 nan 0.000 0.433 341 Q N -0.468 119.274 119.800 -0.097 0.000 2.387 341 Q HA 0.240 4.597 4.340 0.028 0.000 0.273 341 Q C -2.106 173.688 176.000 -0.344 0.000 1.089 341 Q CA -1.979 53.610 55.803 -0.357 0.000 0.824 341 Q CB 1.434 29.674 28.738 -0.828 0.000 1.367 341 Q HN -0.035 nan 8.270 nan 0.000 0.443 342 P HA 0.085 nan 4.420 nan 0.000 0.262 342 P C 0.797 177.953 177.300 -0.241 0.000 1.304 342 P CA 0.229 63.229 63.100 -0.165 0.000 0.859 342 P CB 0.280 32.001 31.700 0.034 0.000 1.310 343 G N 0.948 109.349 108.800 -0.665 0.000 2.422 343 G HA2 -0.225 3.752 3.960 0.028 0.000 0.218 343 G HA3 -0.225 3.752 3.960 0.028 0.000 0.218 343 G C 1.620 176.483 174.900 -0.061 0.000 1.146 343 G CA 0.686 45.497 45.100 -0.482 0.000 0.769 343 G HN 0.225 nan 8.290 nan 0.000 0.547 344 S N 0.975 116.660 115.700 -0.024 0.000 2.382 344 S HA -0.006 4.482 4.470 0.028 0.000 0.228 344 S C 2.776 177.297 174.600 -0.131 0.000 1.027 344 S CA 1.166 59.418 58.200 0.086 0.000 0.991 344 S CB -0.330 62.982 63.200 0.187 0.000 0.823 344 S HN 0.588 nan 8.310 nan 0.000 0.469 345 A N 1.418 124.223 122.820 -0.025 0.000 1.898 345 A HA -0.019 4.318 4.320 0.028 0.000 0.216 345 A C 2.049 179.635 177.584 0.004 0.000 1.181 345 A CA 1.087 53.105 52.037 -0.031 0.000 0.620 345 A CB -0.692 18.327 19.000 0.032 0.000 0.819 345 A HN 0.474 nan 8.150 nan 0.000 0.442 346 I N -0.346 120.263 120.570 0.066 0.000 2.163 346 I HA -0.295 3.892 4.170 0.028 0.000 0.243 346 I C 2.380 178.590 176.117 0.155 0.000 1.085 346 I CA 1.345 62.729 61.300 0.141 0.000 1.347 346 I CB -0.360 37.721 38.000 0.134 0.000 1.044 346 I HN 0.288 nan 8.210 nan 0.000 0.408 347 L N 0.357 121.655 121.223 0.125 0.000 2.093 347 L HA -0.217 4.140 4.340 0.028 0.000 0.208 347 L C 2.393 179.372 176.870 0.181 0.000 1.085 347 L CA 1.249 56.228 54.840 0.232 0.000 0.755 347 L CB -0.728 41.519 42.059 0.314 0.000 0.904 347 L HN 0.347 nan 8.230 nan 0.000 0.435 348 N N 0.272 118.859 118.700 -0.188 0.000 2.058 348 N HA -0.156 4.601 4.740 0.028 0.000 0.191 348 N C 1.716 177.242 175.510 0.027 0.000 1.037 348 N CA 1.688 54.601 53.050 -0.230 0.000 0.848 348 N CB -0.264 37.889 38.487 -0.556 0.000 1.021 348 N HN 0.043 nan 8.380 nan 0.000 0.422 349 V N -0.373 119.571 119.914 0.051 0.000 2.343 349 V HA -0.169 3.968 4.120 0.028 0.000 0.247 349 V C 2.014 178.187 176.094 0.130 0.000 1.051 349 V CA 1.758 64.108 62.300 0.084 0.000 1.036 349 V CB -0.874 31.003 31.823 0.090 0.000 0.654 349 V HN 0.484 nan 8.190 nan 0.000 0.451 350 W N 0.406 121.721 121.300 0.025 0.000 2.355 350 W HA -0.190 4.485 4.660 0.025 0.000 0.309 350 W C 2.134 178.645 176.519 -0.013 0.000 1.206 350 W CA 1.669 59.029 57.345 0.026 0.000 1.284 350 W CB -0.299 29.189 29.460 0.047 0.000 1.145 350 W HN 0.204 nan 8.180 nan 0.000 0.502 351 L N 0.712 121.947 121.223 0.019 0.000 2.093 351 L HA -0.125 4.232 4.340 0.028 0.000 0.208 351 L C 2.346 179.076 176.870 -0.234 0.000 1.085 351 L CA 2.653 57.335 54.840 -0.263 0.000 0.755 351 L CB -1.351 40.740 42.059 0.054 0.000 0.904 351 L HN -0.049 nan 8.230 nan 0.000 0.435 352 T N -1.471 113.036 114.554 -0.080 0.000 2.684 352 T HA -0.207 4.160 4.350 0.028 0.000 0.267 352 T C 2.088 176.712 174.700 -0.126 0.000 1.036 352 T CA 1.662 63.726 62.100 -0.061 0.000 1.148 352 T CB -0.383 68.484 68.868 -0.002 0.000 0.863 352 T HN 0.465 nan 8.240 nan 0.000 0.436 353 S N 0.563 116.165 115.700 -0.164 0.000 2.348 353 S HA -0.117 4.370 4.470 0.028 0.000 0.221 353 S C 2.192 176.626 174.600 -0.277 0.000 1.033 353 S CA 1.059 59.152 58.200 -0.177 0.000 1.010 353 S CB -0.377 62.742 63.200 -0.135 0.000 0.891 353 S HN 0.204 nan 8.310 nan 0.000 0.442 354 M N 1.092 120.390 119.600 -0.503 0.000 2.082 354 M HA -0.102 4.395 4.480 0.028 0.000 0.258 354 M C 2.236 178.324 176.300 -0.354 0.000 1.069 354 M CA 1.527 56.496 55.300 -0.551 0.000 1.102 354 M CB -1.672 30.356 32.600 -0.952 0.000 1.336 354 M HN 0.382 nan 8.290 nan 0.000 0.404 355 L N -0.644 120.411 121.223 -0.280 0.000 2.093 355 L HA -0.213 4.144 4.340 0.028 0.000 0.208 355 L C 2.573 179.371 176.870 -0.120 0.000 1.085 355 L CA 1.159 55.902 54.840 -0.161 0.000 0.755 355 L CB -0.693 41.322 42.059 -0.073 0.000 0.904 355 L HN 0.340 nan 8.230 nan 0.000 0.435 356 K N 0.529 120.861 120.400 -0.114 0.000 2.097 356 K HA -0.165 4.172 4.320 0.028 0.000 0.206 356 K C 2.193 178.731 176.600 -0.105 0.000 1.049 356 K CA 1.332 57.568 56.287 -0.084 0.000 0.933 356 K CB 0.080 32.537 32.500 -0.072 0.000 0.717 356 K HN 0.211 nan 8.250 nan 0.000 0.442 357 R N -0.387 120.027 120.500 -0.143 0.000 2.240 357 R HA -0.017 4.340 4.340 0.028 0.000 0.203 357 R C 1.717 177.897 176.300 -0.200 0.000 1.011 357 R CA 1.376 57.390 56.100 -0.144 0.000 1.007 357 R CB 0.259 30.474 30.300 -0.142 0.000 0.911 357 R HN 0.437 nan 8.270 nan 0.000 0.468 358 T N -3.416 110.987 114.554 -0.252 0.000 3.257 358 T HA 0.079 4.446 4.350 0.028 0.000 0.176 358 T C 1.765 176.327 174.700 -0.231 0.000 0.892 358 T CA 0.068 61.961 62.100 -0.345 0.000 1.147 358 T CB -0.625 67.902 68.868 -0.569 0.000 1.840 358 T HN -0.168 nan 8.240 nan 0.000 0.375 359 V N 2.329 122.128 119.914 -0.192 0.000 2.287 359 V HA -0.151 3.987 4.120 0.028 0.000 0.248 359 V C 2.960 178.996 176.094 -0.098 0.000 1.053 359 V CA 1.840 64.052 62.300 -0.147 0.000 1.027 359 V CB -1.209 30.556 31.823 -0.096 0.000 0.646 359 V HN 0.468 nan 8.190 nan 0.000 0.447 360 V N 0.532 120.425 119.914 -0.035 0.000 2.287 360 V HA -0.297 3.840 4.120 0.028 0.000 0.248 360 V C 2.736 178.806 176.094 -0.039 0.000 1.053 360 V CA 2.249 64.552 62.300 0.005 0.000 1.027 360 V CB -1.214 30.612 31.823 0.005 0.000 0.646 360 V HN 0.582 nan 8.190 nan 0.000 0.447 361 A N -0.401 122.377 122.820 -0.071 0.000 2.067 361 A HA 0.033 4.370 4.320 0.028 0.000 0.219 361 A C 2.277 179.817 177.584 -0.072 0.000 1.158 361 A CA 1.678 53.673 52.037 -0.069 0.000 0.661 361 A CB -0.510 18.441 19.000 -0.081 0.000 0.801 361 A HN 0.586 nan 8.150 nan 0.000 0.452 362 A N -0.863 121.901 122.820 -0.094 0.000 2.123 362 A HA 0.387 4.724 4.320 0.028 0.000 0.214 362 A C 0.737 178.266 177.584 -0.092 0.000 1.152 362 A CA 0.588 52.567 52.037 -0.096 0.000 0.728 362 A CB -0.148 18.780 19.000 -0.120 0.000 0.814 362 A HN 0.268 nan 8.150 nan 0.000 0.464 363 V N 2.355 122.220 119.914 -0.082 0.000 2.398 363 V HA 0.302 4.439 4.120 0.028 0.000 0.286 363 V C -2.408 173.673 176.094 -0.023 0.000 1.026 363 V CA -2.055 60.206 62.300 -0.064 0.000 0.868 363 V CB 1.372 33.170 31.823 -0.041 0.000 0.982 363 V HN 0.201 nan 8.190 nan 0.000 0.443 364 P HA 0.103 nan 4.420 nan 0.000 0.266 364 P C -0.224 177.100 177.300 0.040 0.000 1.195 364 P CA 0.063 63.176 63.100 0.022 0.000 0.768 364 P CB 0.426 32.156 31.700 0.051 0.000 0.838 365 M N 4.538 124.118 119.600 -0.034 0.000 2.243 365 M HA 0.119 4.616 4.480 0.028 0.000 0.341 365 M C -1.077 175.086 176.300 -0.229 0.000 1.130 365 M CA -1.094 54.126 55.300 -0.133 0.000 1.162 365 M CB 0.351 32.886 32.600 -0.109 0.000 1.497 365 M HN 0.301 nan 8.290 nan 0.000 0.456 366 P HA 0.102 nan 4.420 nan 0.000 0.262 366 P C 0.495 177.347 177.300 -0.747 0.000 1.304 366 P CA 0.512 63.292 63.100 -0.534 0.000 0.859 366 P CB 0.008 31.379 31.700 -0.547 0.000 1.310 367 F N 2.267 121.861 119.950 -0.594 0.000 2.365 367 F HA -0.126 4.417 4.527 0.028 0.000 0.300 367 F C 2.167 177.588 175.800 -0.631 0.000 1.090 367 F CA 1.224 58.564 58.000 -1.100 0.000 1.408 367 F CB -0.993 37.422 39.000 -0.975 0.000 1.060 367 F HN 0.022 nan 8.300 nan 0.000 0.534 368 D N 1.171 121.487 120.400 -0.140 0.000 2.182 368 D HA -0.233 4.424 4.640 0.028 0.000 0.201 368 D C 1.433 177.757 176.300 0.040 0.000 0.986 368 D CA 1.312 55.332 54.000 0.034 0.000 0.847 368 D CB -0.670 40.124 40.800 -0.010 0.000 0.942 368 D HN 0.289 nan 8.370 nan 0.000 0.467 369 K N -0.495 119.861 120.400 -0.075 0.000 2.362 369 K HA -0.078 4.259 4.320 0.028 0.000 0.200 369 K C 1.764 178.439 176.600 0.124 0.000 1.046 369 K CA 0.635 56.932 56.287 0.015 0.000 0.952 369 K CB -0.214 32.287 32.500 0.001 0.000 0.753 369 K HN 0.220 nan 8.250 nan 0.000 0.466 370 W N -0.110 121.083 121.300 -0.179 0.000 2.525 370 W HA -0.077 4.601 4.660 0.029 0.000 0.259 370 W C 0.854 177.055 176.519 -0.531 0.000 1.253 370 W CA 0.548 57.670 57.345 -0.371 0.000 1.262 370 W CB -0.594 28.392 29.460 -0.790 0.000 1.122 370 W HN 0.126 nan 8.180 nan 0.000 0.607 371 Y N -0.325 120.129 120.300 0.256 0.000 2.531 371 Y HA 0.053 4.622 4.550 0.032 0.000 0.249 371 Y C 2.235 178.186 175.900 0.086 0.000 1.168 371 Y CA 0.542 58.738 58.100 0.160 0.000 1.226 371 Y CB -0.582 37.946 38.460 0.112 0.000 1.177 371 Y HN -0.109 nan 8.280 nan 0.000 0.527 372 S N -0.666 115.123 115.700 0.148 0.000 2.503 372 S HA 0.340 4.828 4.470 0.028 0.000 0.217 372 S C 1.148 175.792 174.600 0.073 0.000 0.999 372 S CA -0.025 58.228 58.200 0.089 0.000 0.914 372 S CB -0.169 63.068 63.200 0.061 0.000 0.782 372 S HN 0.166 nan 8.310 nan 0.000 0.520 373 A N 2.203 125.073 122.820 0.084 0.000 2.440 373 A HA 0.540 4.877 4.320 0.028 0.000 0.251 373 A C 1.337 178.972 177.584 0.086 0.000 1.089 373 A CA 0.089 52.173 52.037 0.078 0.000 0.779 373 A CB 0.294 19.334 19.000 0.066 0.000 1.022 373 A HN 0.595 nan 8.150 nan 0.000 0.492 374 S N 1.829 117.598 115.700 0.114 0.000 2.501 374 S HA 0.357 4.844 4.470 0.028 0.000 0.220 374 S C 1.365 176.041 174.600 0.127 0.000 0.997 374 S CA 0.952 59.253 58.200 0.168 0.000 0.919 374 S CB 0.008 63.384 63.200 0.294 0.000 0.778 374 S HN 2.510 nan 8.310 nan 0.000 0.523 375 G N 0.029 108.855 108.800 0.043 0.000 2.201 375 G HA2 -0.242 3.735 3.960 0.028 0.000 0.212 375 G HA3 -0.242 3.735 3.960 0.028 0.000 0.212 375 G C 0.330 175.107 174.900 -0.206 0.000 0.994 375 G CA 0.205 45.229 45.100 -0.127 0.000 0.644 375 G HN 0.561 nan 8.290 nan 0.000 0.508 376 Y N 1.040 121.379 120.300 0.064 0.000 2.458 376 Y HA 0.457 5.019 4.550 0.020 0.000 0.256 376 Y C 1.143 177.069 175.900 0.044 0.000 1.159 376 Y CA -0.120 58.024 58.100 0.073 0.000 1.261 376 Y CB 0.502 39.029 38.460 0.111 0.000 1.119 376 Y HN 0.224 nan 8.280 nan 0.000 0.524 377 E N 0.743 121.030 120.200 0.144 0.000 2.480 377 E HA 0.075 4.442 4.350 0.028 0.000 0.258 377 E C 0.651 177.282 176.600 0.051 0.000 0.984 377 E CA 0.481 56.934 56.400 0.090 0.000 0.930 377 E CB 0.754 30.495 29.700 0.068 0.000 0.936 377 E HN 0.137 nan 8.360 nan 0.000 0.466 378 T N 1.149 115.728 114.554 0.042 0.000 2.529 378 T HA 0.694 5.061 4.350 0.028 0.000 0.224 378 T C -0.767 173.945 174.700 0.020 0.000 0.791 378 T CA 0.223 62.329 62.100 0.010 0.000 1.241 378 T CB 0.887 69.744 68.868 -0.018 0.000 1.554 378 T HN 0.570 nan 8.240 nan 0.000 0.491 379 T N -0.680 113.882 114.554 0.013 0.000 2.853 379 T HA 0.394 4.761 4.350 0.028 0.000 0.311 379 T C 0.211 174.919 174.700 0.013 0.000 1.307 379 T CA -0.483 61.631 62.100 0.024 0.000 1.019 379 T CB 1.539 70.432 68.868 0.041 0.000 1.264 379 T HN 0.505 nan 8.240 nan 0.000 0.497 380 Q N -0.034 119.777 119.800 0.017 0.000 2.436 380 Q HA 0.032 4.389 4.340 0.028 0.000 0.209 380 Q C 1.021 177.038 176.000 0.028 0.000 0.965 380 Q CA 1.477 57.285 55.803 0.007 0.000 0.910 380 Q CB -0.311 28.427 28.738 -0.000 0.000 0.980 380 Q HN 0.681 nan 8.270 nan 0.000 0.491 381 D N 0.023 120.454 120.400 0.051 0.000 2.363 381 D HA 0.145 4.802 4.640 0.028 0.000 0.220 381 D C 0.542 176.859 176.300 0.029 0.000 0.994 381 D CA 1.147 55.192 54.000 0.076 0.000 0.890 381 D CB 0.020 40.870 40.800 0.083 0.000 0.906 381 D HN 0.410 nan 8.370 nan 0.000 0.530 382 G N 0.591 109.389 108.800 -0.003 0.000 2.712 382 G HA2 -0.182 3.795 3.960 0.028 0.000 0.683 382 G HA3 -0.182 3.795 3.960 0.028 0.000 0.683 382 G C -2.719 172.147 174.900 -0.056 0.000 1.320 382 G CA -1.189 43.874 45.100 -0.061 0.000 0.847 382 G HN -0.073 nan 8.290 nan 0.000 0.553 383 P HA 0.160 nan 4.420 nan 0.000 0.266 383 P C 1.343 178.739 177.300 0.160 0.000 1.195 383 P CA 0.949 64.009 63.100 -0.066 0.000 0.768 383 P CB 0.472 31.993 31.700 -0.298 0.000 0.838 384 T N -0.473 114.190 114.554 0.182 0.000 3.088 384 T HA 0.265 4.632 4.350 0.028 0.000 0.259 384 T C 0.926 175.803 174.700 0.295 0.000 1.122 384 T CA 0.727 62.965 62.100 0.230 0.000 1.095 384 T CB -0.289 68.680 68.868 0.168 0.000 0.930 384 T HN 0.502 nan 8.240 nan 0.000 0.508 385 G N 1.107 110.113 108.800 0.344 0.000 2.896 385 G HA2 0.498 4.475 3.960 0.028 0.000 0.247 385 G HA3 0.498 4.475 3.960 0.028 0.000 0.247 385 G C -0.641 174.515 174.900 0.428 0.000 1.187 385 G CA -0.192 45.048 45.100 0.234 0.000 0.837 385 G HN 0.496 nan 8.290 nan 0.000 0.559 386 S N -0.780 115.071 115.700 0.252 0.000 2.600 386 S HA 0.581 5.069 4.470 0.028 0.000 0.265 386 S C 0.100 174.842 174.600 0.237 0.000 1.325 386 S CA -0.368 58.038 58.200 0.344 0.000 1.002 386 S CB 0.673 64.022 63.200 0.249 0.000 0.921 386 S HN 0.536 nan 8.310 nan 0.000 0.554 387 L N 1.845 123.207 121.223 0.232 0.000 2.325 387 L HA 0.543 4.900 4.340 0.028 0.000 0.279 387 L C 0.523 177.311 176.870 -0.137 0.000 1.054 387 L CA -0.495 54.369 54.840 0.040 0.000 0.804 387 L CB 1.197 43.295 42.059 0.065 0.000 1.200 387 L HN 0.876 nan 8.230 nan 0.000 0.436 388 N N 0.837 119.420 118.700 -0.195 0.000 2.774 388 N HA 0.510 5.267 4.740 0.028 0.000 0.264 388 N C -1.205 174.163 175.510 -0.236 0.000 1.415 388 N CA -0.868 52.012 53.050 -0.283 0.000 0.815 388 N CB 1.956 40.285 38.487 -0.263 0.000 1.514 388 N HN 0.369 nan 8.380 nan 0.000 0.523 389 I N 1.851 122.285 120.570 -0.226 0.000 2.471 389 I HA 0.063 4.250 4.170 0.028 0.000 0.286 389 I C 0.827 176.887 176.117 -0.094 0.000 1.079 389 I CA -0.102 61.118 61.300 -0.133 0.000 1.398 389 I CB 0.872 38.795 38.000 -0.127 0.000 1.403 389 I HN 0.478 nan 8.210 nan 0.000 0.530 390 S N 5.086 120.767 115.700 -0.033 0.000 2.589 390 S HA 0.050 4.537 4.470 0.028 0.000 0.265 390 S C 1.139 175.759 174.600 0.033 0.000 1.342 390 S CA -0.574 57.623 58.200 -0.007 0.000 1.005 390 S CB 1.478 64.701 63.200 0.038 0.000 0.909 390 S HN 0.540 nan 8.310 nan 0.000 0.555 391 V N 2.627 122.568 119.914 0.046 0.000 2.332 391 V HA -0.019 4.118 4.120 0.028 0.000 0.248 391 V C 2.325 178.558 176.094 0.231 0.000 1.055 391 V CA 2.745 65.118 62.300 0.121 0.000 1.038 391 V CB -1.556 30.351 31.823 0.140 0.000 0.651 391 V HN 1.085 nan 8.190 nan 0.000 0.450 392 G N -0.937 108.019 108.800 0.259 0.000 2.418 392 G HA2 -0.219 3.759 3.960 0.028 0.000 0.217 392 G HA3 -0.219 3.759 3.960 0.028 0.000 0.217 392 G C 1.760 176.778 174.900 0.197 0.000 1.158 392 G CA 1.028 46.292 45.100 0.274 0.000 0.771 392 G HN 0.785 nan 8.290 nan 0.000 0.545 393 A N 0.639 123.575 122.820 0.193 0.000 1.969 393 A HA 0.050 4.388 4.320 0.028 0.000 0.218 393 A C 2.300 180.107 177.584 0.371 0.000 1.169 393 A CA 1.834 54.050 52.037 0.298 0.000 0.635 393 A CB -0.274 18.915 19.000 0.315 0.000 0.810 393 A HN 0.387 nan 8.150 nan 0.000 0.445 394 K N -0.468 120.068 120.400 0.228 0.000 2.097 394 K HA 0.007 4.344 4.320 0.028 0.000 0.205 394 K C 1.717 178.468 176.600 0.251 0.000 1.050 394 K CA 1.390 57.795 56.287 0.198 0.000 0.938 394 K CB -0.299 32.260 32.500 0.099 0.000 0.718 394 K HN 0.520 nan 8.250 nan 0.000 0.442 395 I N 0.881 121.578 120.570 0.212 0.000 2.252 395 I HA -0.244 3.943 4.170 0.028 0.000 0.245 395 I C 2.272 178.499 176.117 0.183 0.000 1.102 395 I CA 0.564 61.962 61.300 0.164 0.000 1.385 395 I CB -0.134 37.927 38.000 0.102 0.000 1.064 395 I HN 0.094 nan 8.210 nan 0.000 0.414 396 L N 0.159 121.516 121.223 0.224 0.000 2.046 396 L HA -0.265 4.092 4.340 0.028 0.000 0.208 396 L C 2.483 179.606 176.870 0.422 0.000 1.077 396 L CA 1.858 56.853 54.840 0.258 0.000 0.747 396 L CB -0.896 41.275 42.059 0.187 0.000 0.896 396 L HN 0.224 nan 8.230 nan 0.000 0.432 397 Y N 0.598 121.121 120.300 0.371 0.000 2.128 397 Y HA -0.267 4.302 4.550 0.031 0.000 0.284 397 Y C 2.438 178.437 175.900 0.165 0.000 1.154 397 Y CA 2.205 60.457 58.100 0.253 0.000 1.149 397 Y CB -0.133 38.368 38.460 0.067 0.000 0.976 397 Y HN 0.309 nan 8.280 nan 0.000 0.505 398 E N 0.304 120.606 120.200 0.170 0.000 2.058 398 E HA -0.243 4.124 4.350 0.028 0.000 0.194 398 E C 2.449 179.069 176.600 0.034 0.000 0.997 398 E CA 1.229 57.660 56.400 0.050 0.000 0.801 398 E CB -0.882 28.881 29.700 0.105 0.000 0.746 398 E HN 0.584 nan 8.360 nan 0.000 0.450 399 A N 1.499 124.393 122.820 0.124 0.000 1.902 399 A HA -0.157 4.180 4.320 0.028 0.000 0.217 399 A C 2.532 180.216 177.584 0.167 0.000 1.181 399 A CA 2.088 54.236 52.037 0.187 0.000 0.623 399 A CB -0.841 18.337 19.000 0.297 0.000 0.818 399 A HN 0.226 nan 8.150 nan 0.000 0.443 400 V N -3.000 117.016 119.914 0.170 0.000 3.141 400 V HA -0.110 4.027 4.120 0.028 0.000 0.265 400 V C 1.692 177.746 176.094 -0.067 0.000 1.126 400 V CA 1.766 64.122 62.300 0.094 0.000 1.141 400 V CB -0.681 31.296 31.823 0.256 0.000 0.743 400 V HN 0.489 nan 8.190 nan 0.000 0.492 401 Q N 0.934 120.631 119.800 -0.171 0.000 2.432 401 Q HA 0.208 4.565 4.340 0.028 0.000 0.205 401 Q C 1.711 177.650 176.000 -0.101 0.000 0.945 401 Q CA 0.909 56.588 55.803 -0.206 0.000 0.924 401 Q CB 0.124 28.675 28.738 -0.311 0.000 1.016 401 Q HN 0.909 nan 8.270 nan 0.000 0.503 402 G N 2.489 111.252 108.800 -0.061 0.000 2.583 402 G HA2 -0.397 3.580 3.960 0.028 0.000 0.292 402 G HA3 -0.397 3.580 3.960 0.028 0.000 0.292 402 G C 0.122 175.006 174.900 -0.027 0.000 1.203 402 G CA 0.580 45.657 45.100 -0.039 0.000 0.987 402 G HN 0.504 nan 8.290 nan 0.000 0.554 403 D N 0.563 120.949 120.400 -0.024 0.000 2.324 403 D HA 0.316 4.974 4.640 0.028 0.000 0.235 403 D C 1.681 177.971 176.300 -0.015 0.000 1.095 403 D CA 0.818 54.810 54.000 -0.014 0.000 0.871 403 D CB 0.280 41.075 40.800 -0.008 0.000 0.906 403 D HN 0.438 nan 8.370 nan 0.000 0.522 404 K N 0.108 120.492 120.400 -0.028 0.000 2.217 404 K HA 0.056 4.393 4.320 0.028 0.000 0.202 404 K C 0.754 177.343 176.600 -0.018 0.000 1.051 404 K CA 0.240 56.511 56.287 -0.026 0.000 0.952 404 K CB 0.085 32.559 32.500 -0.044 0.000 0.736 404 K HN 0.106 nan 8.250 nan 0.000 0.453 405 S N 1.097 116.784 115.700 -0.023 0.000 2.548 405 S HA 0.137 4.624 4.470 0.028 0.000 0.277 405 S C -1.757 172.854 174.600 0.018 0.000 1.315 405 S CA -1.452 56.748 58.200 -0.000 0.000 1.050 405 S CB 0.669 63.868 63.200 -0.001 0.000 0.918 405 S HN 0.040 nan 8.310 nan 0.000 0.497 406 P HA 0.192 nan 4.420 nan 0.000 0.249 406 P C -0.250 177.073 177.300 0.039 0.000 1.229 406 P CA 0.089 63.210 63.100 0.035 0.000 0.788 406 P CB 0.004 31.730 31.700 0.044 0.000 1.072 407 I N 2.500 123.095 120.570 0.043 0.000 2.325 407 I HA 0.269 4.457 4.170 0.028 0.000 0.291 407 I C -2.297 173.840 176.117 0.033 0.000 1.019 407 I CA -3.450 57.876 61.300 0.043 0.000 1.302 407 I CB 0.375 38.408 38.000 0.055 0.000 1.401 407 I HN -0.217 nan 8.210 nan 0.000 0.485 408 P HA 0.048 nan 4.420 nan 0.000 0.264 408 P C -0.447 176.866 177.300 0.022 0.000 1.193 408 P CA -0.163 62.950 63.100 0.022 0.000 0.763 408 P CB 0.349 32.060 31.700 0.018 0.000 0.810 409 Q N 2.660 122.474 119.800 0.023 0.000 2.835 409 Q HA 0.217 4.574 4.340 0.028 0.000 0.235 409 Q C 1.259 177.268 176.000 0.016 0.000 1.313 409 Q CA -0.236 55.582 55.803 0.025 0.000 1.053 409 Q CB 0.506 29.269 28.738 0.042 0.000 1.443 409 Q HN 0.489 nan 8.270 nan 0.000 0.576 410 A N 1.700 124.523 122.820 0.006 0.000 1.978 410 A HA -0.075 4.262 4.320 0.028 0.000 0.220 410 A C 1.032 178.612 177.584 -0.006 0.000 1.170 410 A CA 0.976 53.013 52.037 -0.001 0.000 0.636 410 A CB 0.377 19.372 19.000 -0.009 0.000 0.810 410 A HN 0.391 nan 8.150 nan 0.000 0.448 411 V N 0.745 120.653 119.914 -0.011 0.000 2.487 411 V HA 0.412 4.549 4.120 0.028 0.000 0.298 411 V C -1.377 174.718 176.094 0.002 0.000 1.028 411 V CA -0.974 61.318 62.300 -0.015 0.000 0.860 411 V CB 1.556 33.357 31.823 -0.037 0.000 0.991 411 V HN 0.390 nan 8.190 nan 0.000 0.427 412 D N 5.234 125.647 120.400 0.021 0.000 2.346 412 D HA 0.118 4.775 4.640 0.028 0.000 0.260 412 D C 1.120 177.444 176.300 0.039 0.000 1.252 412 D CA 0.204 54.242 54.000 0.063 0.000 0.895 412 D CB 1.029 41.877 40.800 0.080 0.000 1.097 412 D HN 0.569 nan 8.370 nan 0.000 0.489 413 L N 3.126 124.360 121.223 0.019 0.000 2.362 413 L HA -0.109 4.248 4.340 0.028 0.000 0.219 413 L C 1.390 178.072 176.870 -0.313 0.000 1.134 413 L CA 0.553 55.293 54.840 -0.166 0.000 0.807 413 L CB -0.307 41.601 42.059 -0.251 0.000 0.927 413 L HN 0.430 nan 8.230 nan 0.000 0.447 414 F N -0.061 119.883 119.950 -0.009 0.000 2.797 414 F HA 0.268 4.812 4.527 0.029 0.000 0.302 414 F C 1.605 177.402 175.800 -0.006 0.000 1.130 414 F CA 0.288 58.285 58.000 -0.005 0.000 1.387 414 F CB -0.286 38.718 39.000 0.006 0.000 1.107 414 F HN 0.053 nan 8.300 nan 0.000 0.577 415 A N 0.417 123.289 122.820 0.087 0.000 2.687 415 A HA 0.020 4.357 4.320 0.028 0.000 0.299 415 A C 1.754 179.378 177.584 0.066 0.000 1.497 415 A CA 0.977 53.043 52.037 0.048 0.000 0.751 415 A CB -1.936 17.070 19.000 0.010 0.000 1.048 415 A HN 1.408 nan 8.150 nan 0.000 0.464 416 G N -1.959 106.892 108.800 0.085 0.000 2.225 416 G HA2 -0.292 3.686 3.960 0.028 0.000 0.254 416 G HA3 -0.292 3.686 3.960 0.028 0.000 0.254 416 G C 0.215 175.155 174.900 0.067 0.000 0.988 416 G CA 1.095 46.232 45.100 0.062 0.000 0.625 416 G HN 1.181 nan 8.290 nan 0.000 0.527 417 K N 1.272 121.733 120.400 0.102 0.000 2.118 417 K HA 0.499 4.836 4.320 0.028 0.000 0.264 417 K C -2.442 174.202 176.600 0.073 0.000 1.000 417 K CA -1.838 54.504 56.287 0.091 0.000 0.929 417 K CB 0.869 33.440 32.500 0.118 0.000 1.021 417 K HN 0.007 nan 8.250 nan 0.000 0.463 418 P HA -0.018 nan 4.420 nan 0.000 0.268 418 P C 0.027 177.271 177.300 -0.095 0.000 1.204 418 P CA 0.150 63.224 63.100 -0.042 0.000 0.768 418 P CB 0.593 32.280 31.700 -0.022 0.000 0.842 419 Q N 1.732 121.348 119.800 -0.306 0.000 2.096 419 Q HA -0.287 4.070 4.340 0.028 0.000 0.204 419 Q C 2.023 177.939 176.000 -0.141 0.000 0.982 419 Q CA 1.671 57.128 55.803 -0.577 0.000 0.850 419 Q CB -0.168 28.093 28.738 -0.795 0.000 0.901 419 Q HN 0.597 nan 8.270 nan 0.000 0.422 420 Q N 0.952 120.710 119.800 -0.070 0.000 2.112 420 Q HA -0.268 4.090 4.340 0.028 0.000 0.206 420 Q C 1.968 178.008 176.000 0.067 0.000 0.987 420 Q CA 1.784 57.597 55.803 0.018 0.000 0.858 420 Q CB -0.058 28.681 28.738 0.003 0.000 0.905 420 Q HN 0.386 nan 8.270 nan 0.000 0.420 421 E N -0.766 119.470 120.200 0.060 0.000 2.110 421 E HA -0.180 4.187 4.350 0.028 0.000 0.193 421 E C 1.841 178.517 176.600 0.126 0.000 0.988 421 E CA 1.493 57.943 56.400 0.083 0.000 0.804 421 E CB 0.131 29.872 29.700 0.068 0.000 0.745 421 E HN 0.330 nan 8.360 nan 0.000 0.458 422 V N 0.399 120.421 119.914 0.179 0.000 2.407 422 V HA -0.176 3.961 4.120 0.028 0.000 0.245 422 V C 2.432 178.663 176.094 0.228 0.000 1.041 422 V CA 1.095 63.525 62.300 0.215 0.000 1.040 422 V CB -0.006 32.036 31.823 0.365 0.000 0.671 422 V HN 0.178 nan 8.190 nan 0.000 0.455 423 V N 0.018 120.108 119.914 0.294 0.000 2.287 423 V HA -0.268 3.869 4.120 0.028 0.000 0.248 423 V C 2.332 178.666 176.094 0.400 0.000 1.053 423 V CA 1.997 64.559 62.300 0.437 0.000 1.027 423 V CB -0.550 31.521 31.823 0.414 0.000 0.646 423 V HN 0.435 nan 8.190 nan 0.000 0.447 424 L N -0.154 121.212 121.223 0.238 0.000 2.093 424 L HA -0.135 4.222 4.340 0.028 0.000 0.208 424 L C 2.696 179.673 176.870 0.179 0.000 1.085 424 L CA 1.407 56.356 54.840 0.182 0.000 0.755 424 L CB -0.721 41.405 42.059 0.111 0.000 0.904 424 L HN 0.378 nan 8.230 nan 0.000 0.435 425 A N 0.017 122.930 122.820 0.156 0.000 1.898 425 A HA -0.137 4.200 4.320 0.028 0.000 0.216 425 A C 2.525 180.192 177.584 0.139 0.000 1.181 425 A CA 1.579 53.690 52.037 0.123 0.000 0.620 425 A CB -0.601 18.452 19.000 0.089 0.000 0.819 425 A HN 0.389 nan 8.150 nan 0.000 0.442 426 A N -0.334 122.577 122.820 0.152 0.000 1.933 426 A HA -0.026 4.311 4.320 0.028 0.000 0.218 426 A C 2.153 179.934 177.584 0.329 0.000 1.175 426 A CA 1.435 53.538 52.037 0.111 0.000 0.628 426 A CB -0.564 18.306 19.000 -0.216 0.000 0.814 426 A HN 0.468 nan 8.150 nan 0.000 0.444 427 L N -0.872 120.622 121.223 0.452 0.000 2.083 427 L HA -0.202 4.155 4.340 0.028 0.000 0.209 427 L C 2.651 179.695 176.870 0.291 0.000 1.083 427 L CA 1.795 56.863 54.840 0.380 0.000 0.752 427 L CB -0.385 41.817 42.059 0.238 0.000 0.899 427 L HN 0.612 nan 8.230 nan 0.000 0.433 428 E N 0.173 120.511 120.200 0.230 0.000 2.077 428 E HA -0.255 4.112 4.350 0.028 0.000 0.193 428 E C 1.634 178.371 176.600 0.228 0.000 0.989 428 E CA 1.532 58.063 56.400 0.218 0.000 0.800 428 E CB 0.120 29.913 29.700 0.154 0.000 0.746 428 E HN 0.405 nan 8.360 nan 0.000 0.452 429 D N -0.171 120.336 120.400 0.178 0.000 2.123 429 D HA -0.136 4.521 4.640 0.028 0.000 0.196 429 D C 1.940 178.335 176.300 0.157 0.000 0.992 429 D CA 1.701 55.781 54.000 0.134 0.000 0.833 429 D CB -0.522 40.329 40.800 0.086 0.000 0.954 429 D HN 0.209 nan 8.370 nan 0.000 0.455 430 T N 0.148 114.840 114.554 0.230 0.000 2.708 430 T HA -0.165 4.202 4.350 0.028 0.000 0.266 430 T C 1.676 176.547 174.700 0.284 0.000 1.037 430 T CA 0.843 63.093 62.100 0.250 0.000 1.146 430 T CB -0.383 68.686 68.868 0.335 0.000 0.865 430 T HN 0.392 nan 8.240 nan 0.000 0.435 431 W N 2.142 123.540 121.300 0.162 0.000 2.358 431 W HA -0.190 4.487 4.660 0.029 0.000 0.303 431 W C 2.241 178.844 176.519 0.140 0.000 1.208 431 W CA 1.740 59.194 57.345 0.182 0.000 1.274 431 W CB -0.110 29.437 29.460 0.145 0.000 1.138 431 W HN 0.310 nan 8.180 nan 0.000 0.515 432 E N 0.314 120.569 120.200 0.091 0.000 2.051 432 E HA -0.195 4.172 4.350 0.028 0.000 0.192 432 E C 2.048 178.561 176.600 -0.146 0.000 0.991 432 E CA 3.022 59.385 56.400 -0.061 0.000 0.799 432 E CB -0.735 28.995 29.700 0.049 0.000 0.748 432 E HN -0.003 nan 8.360 nan 0.000 0.449 433 T N 0.846 115.355 114.554 -0.076 0.000 2.674 433 T HA -0.097 4.270 4.350 0.028 0.000 0.265 433 T C 1.842 176.423 174.700 -0.197 0.000 1.039 433 T CA 1.591 63.627 62.100 -0.106 0.000 1.150 433 T CB -0.284 68.558 68.868 -0.043 0.000 0.864 433 T HN 0.126 nan 8.240 nan 0.000 0.427 434 L N 1.428 122.535 121.223 -0.194 0.000 2.179 434 L HA -0.027 4.330 4.340 0.028 0.000 0.208 434 L C 2.900 179.422 176.870 -0.580 0.000 1.096 434 L CA 1.149 55.782 54.840 -0.345 0.000 0.779 434 L CB -0.656 41.225 42.059 -0.297 0.000 0.922 434 L HN 0.367 nan 8.230 nan 0.000 0.443 435 S N -0.734 114.604 115.700 -0.604 0.000 2.402 435 S HA -0.108 4.379 4.470 0.028 0.000 0.229 435 S C 1.944 176.300 174.600 -0.407 0.000 1.021 435 S CA 0.514 58.328 58.200 -0.644 0.000 0.974 435 S CB -0.141 62.320 63.200 -1.231 0.000 0.800 435 S HN 0.202 nan 8.310 nan 0.000 0.484 436 K N 1.586 121.770 120.400 -0.360 0.000 2.155 436 K HA 0.126 4.464 4.320 0.028 0.000 0.203 436 K C 2.216 178.632 176.600 -0.307 0.000 1.052 436 K CA 1.050 57.180 56.287 -0.262 0.000 0.948 436 K CB -0.470 31.910 32.500 -0.200 0.000 0.728 436 K HN 0.581 nan 8.250 nan 0.000 0.448 437 R N -0.893 119.342 120.500 -0.441 0.000 2.112 437 R HA -0.013 4.345 4.340 0.028 0.000 0.216 437 R C 0.935 176.804 176.300 -0.718 0.000 1.080 437 R CA 0.979 56.708 56.100 -0.620 0.000 0.996 437 R CB 0.171 29.956 30.300 -0.859 0.000 0.902 437 R HN 0.127 nan 8.270 nan 0.000 0.449 438 Y N -0.625 119.358 120.300 -0.530 0.000 2.481 438 Y HA 0.397 4.962 4.550 0.024 0.000 0.247 438 Y C 0.791 176.529 175.900 -0.270 0.000 1.151 438 Y CA 0.313 58.079 58.100 -0.556 0.000 1.238 438 Y CB 1.345 39.015 38.460 -1.315 0.000 1.179 438 Y HN 0.348 nan 8.280 nan 0.000 0.524 439 G N 0.964 109.727 108.800 -0.062 0.000 2.660 439 G HA2 -0.277 3.700 3.960 0.028 0.000 0.247 439 G HA3 -0.277 3.700 3.960 0.028 0.000 0.247 439 G C 0.085 175.160 174.900 0.291 0.000 1.328 439 G CA -0.128 45.031 45.100 0.099 0.000 0.884 439 G HN 0.392 nan 8.290 nan 0.000 0.531 440 N N 0.198 119.068 118.700 0.283 0.000 2.280 440 N HA 0.048 4.805 4.740 0.028 0.000 0.192 440 N C 0.481 176.225 175.510 0.390 0.000 1.109 440 N CA -0.056 53.234 53.050 0.399 0.000 0.855 440 N CB 0.193 38.891 38.487 0.352 0.000 0.974 440 N HN 0.398 nan 8.380 nan 0.000 0.482 441 N N 1.379 120.251 118.700 0.286 0.000 2.645 441 N HA 0.080 4.837 4.740 0.028 0.000 0.233 441 N C 0.893 176.282 175.510 -0.200 0.000 1.058 441 N CA -0.138 52.964 53.050 0.086 0.000 0.942 441 N CB 0.657 39.201 38.487 0.095 0.000 1.210 441 N HN -0.176 nan 8.380 nan 0.000 0.512 442 V N 2.168 121.758 119.914 -0.541 0.000 2.380 442 V HA -0.280 3.857 4.120 0.028 0.000 0.251 442 V C 2.291 177.952 176.094 -0.722 0.000 1.063 442 V CA 2.332 63.867 62.300 -1.275 0.000 1.055 442 V CB -0.833 30.412 31.823 -0.963 0.000 0.657 442 V HN 0.816 nan 8.190 nan 0.000 0.455 443 S N 2.124 117.618 115.700 -0.343 0.000 2.469 443 S HA -0.170 4.317 4.470 0.028 0.000 0.238 443 S C 1.404 175.950 174.600 -0.090 0.000 0.998 443 S CA 1.418 59.509 58.200 -0.183 0.000 0.957 443 S CB -0.656 62.474 63.200 -0.117 0.000 0.764 443 S HN 0.841 nan 8.310 nan 0.000 0.514 444 N N -0.842 117.842 118.700 -0.027 0.000 2.203 444 N HA 0.110 4.867 4.740 0.028 0.000 0.207 444 N C -0.880 174.747 175.510 0.195 0.000 1.130 444 N CA -0.700 52.397 53.050 0.079 0.000 0.861 444 N CB -0.630 37.918 38.487 0.102 0.000 1.005 444 N HN 0.340 nan 8.380 nan 0.000 0.507 445 W N 1.879 123.123 121.300 -0.092 0.000 2.381 445 W HA 0.308 4.986 4.660 0.029 0.000 0.321 445 W C 0.216 176.594 176.519 -0.236 0.000 1.407 445 W CA -0.826 56.387 57.345 -0.220 0.000 1.274 445 W CB 0.286 29.519 29.460 -0.379 0.000 1.310 445 W HN -0.071 nan 8.180 nan 0.000 0.551 446 K N 3.003 123.409 120.400 0.010 0.000 2.423 446 K HA 0.190 4.527 4.320 0.028 0.000 0.234 446 K C 0.403 176.986 176.600 -0.028 0.000 1.051 446 K CA -0.291 56.004 56.287 0.013 0.000 1.021 446 K CB 0.598 33.132 32.500 0.058 0.000 1.474 446 K HN 0.357 nan 8.250 nan 0.000 0.474 447 T N -0.442 114.055 114.554 -0.094 0.000 2.904 447 T HA 0.347 4.714 4.350 0.028 0.000 0.290 447 T C -2.313 172.379 174.700 -0.013 0.000 1.018 447 T CA -1.999 60.059 62.100 -0.069 0.000 1.075 447 T CB 0.923 69.742 68.868 -0.081 0.000 0.986 447 T HN 0.134 nan 8.240 nan 0.000 0.523 448 P HA 0.380 nan 4.420 nan 0.000 0.276 448 P C -0.649 176.347 177.300 -0.506 0.000 1.235 448 P CA -0.412 62.580 63.100 -0.179 0.000 0.772 448 P CB 0.440 32.072 31.700 -0.112 0.000 0.871 449 A N 4.635 126.984 122.820 -0.786 0.000 2.316 449 A HA 0.492 4.829 4.320 0.028 0.000 0.284 449 A C 0.468 177.515 177.584 -0.896 0.000 1.115 449 A CA -0.622 50.405 52.037 -1.683 0.000 0.812 449 A CB 0.021 18.212 19.000 -1.349 0.000 1.064 449 A HN 0.509 nan 8.150 nan 0.000 0.489 450 M N 1.449 120.557 119.600 -0.820 0.000 2.242 450 M HA 0.407 4.904 4.480 0.028 0.000 0.344 450 M C 0.573 176.837 176.300 -0.060 0.000 1.140 450 M CA 0.191 55.360 55.300 -0.217 0.000 1.160 450 M CB 1.117 33.718 32.600 0.003 0.000 1.491 450 M HN 0.828 nan 8.290 nan 0.000 0.459 451 A N 2.494 125.297 122.820 -0.029 0.000 2.282 451 A HA 0.888 5.226 4.320 0.028 0.000 0.324 451 A C -1.413 176.195 177.584 0.042 0.000 1.119 451 A CA -0.662 51.387 52.037 0.020 0.000 0.880 451 A CB 1.180 20.184 19.000 0.007 0.000 1.294 451 A HN 0.660 nan 8.150 nan 0.000 0.493 452 L N -0.273 120.931 121.223 -0.031 0.000 2.386 452 L HA 0.736 5.093 4.340 0.028 0.000 0.271 452 L C -0.652 176.079 176.870 -0.232 0.000 0.993 452 L CA 0.211 54.914 54.840 -0.229 0.000 0.819 452 L CB 2.011 43.775 42.059 -0.491 0.000 1.294 452 L HN 0.663 nan 8.230 nan 0.000 0.414 453 T N 4.927 119.294 114.554 -0.313 0.000 2.841 453 T HA 0.491 4.858 4.350 0.028 0.000 0.285 453 T C -0.731 173.781 174.700 -0.313 0.000 0.991 453 T CA 0.009 61.938 62.100 -0.286 0.000 0.966 453 T CB 0.540 69.295 68.868 -0.189 0.000 0.962 453 T HN 0.223 nan 8.240 nan 0.000 0.438 454 F N 3.279 123.113 119.950 -0.193 0.000 2.377 454 F HA 0.362 4.929 4.527 0.067 0.000 0.360 454 F C 1.292 177.034 175.800 -0.097 0.000 1.147 454 F CA -0.910 57.029 58.000 -0.102 0.000 1.170 454 F CB 0.200 39.147 39.000 -0.088 0.000 1.339 454 F HN 0.202 nan 8.300 nan 0.000 0.552 455 R N 1.438 121.959 120.500 0.035 0.000 2.543 455 R HA 0.331 4.688 4.340 0.028 0.000 0.277 455 R C 1.037 177.478 176.300 0.235 0.000 1.074 455 R CA 0.106 56.270 56.100 0.108 0.000 1.076 455 R CB 0.727 31.097 30.300 0.117 0.000 0.993 455 R HN 0.750 nan 8.270 nan 0.000 0.459 456 A N 2.988 125.920 122.820 0.187 0.000 2.169 456 A HA 0.008 4.345 4.320 0.028 0.000 0.212 456 A C 0.196 177.901 177.584 0.200 0.000 1.153 456 A CA 0.440 52.586 52.037 0.182 0.000 0.756 456 A CB -0.014 19.067 19.000 0.134 0.000 0.813 456 A HN 0.573 nan 8.150 nan 0.000 0.471 457 N N 1.623 120.462 118.700 0.233 0.000 2.438 457 N HA 0.253 5.010 4.740 0.028 0.000 0.282 457 N C -0.220 175.479 175.510 0.315 0.000 1.037 457 N CA -0.441 52.741 53.050 0.221 0.000 0.942 457 N CB 0.927 39.527 38.487 0.190 0.000 1.136 457 N HN 0.578 nan 8.380 nan 0.000 0.481 458 N N 0.758 119.565 118.700 0.180 0.000 2.263 458 N HA -0.031 4.726 4.740 0.028 0.000 0.239 458 N C 1.023 176.552 175.510 0.031 0.000 1.317 458 N CA -0.296 52.760 53.050 0.009 0.000 0.909 458 N CB 0.005 38.511 38.487 0.030 0.000 1.171 458 N HN 0.528 nan 8.380 nan 0.000 0.492 459 F N -2.346 117.499 119.950 -0.176 0.000 2.333 459 F HA 0.122 4.659 4.527 0.018 0.000 0.300 459 F C 1.262 177.085 175.800 0.038 0.000 1.083 459 F CA 0.415 58.411 58.000 -0.006 0.000 1.395 459 F CB -0.712 38.238 39.000 -0.083 0.000 1.056 459 F HN 0.251 nan 8.300 nan 0.000 0.529 460 F N 1.556 121.174 119.950 -0.554 0.000 2.604 460 F HA 0.273 4.820 4.527 0.032 0.000 0.298 460 F C 2.138 177.894 175.800 -0.073 0.000 1.131 460 F CA 0.816 58.620 58.000 -0.326 0.000 1.457 460 F CB -0.606 38.112 39.000 -0.469 0.000 1.095 460 F HN 0.254 nan 8.300 nan 0.000 0.574 461 G N 0.353 109.250 108.800 0.161 0.000 2.130 461 G HA2 -0.201 3.776 3.960 0.028 0.000 0.216 461 G HA3 -0.201 3.776 3.960 0.028 0.000 0.216 461 G C -0.305 174.661 174.900 0.110 0.000 0.999 461 G CA -0.029 45.161 45.100 0.149 0.000 0.686 461 G HN 0.154 nan 8.290 nan 0.000 0.515 462 V N 0.991 120.963 119.914 0.097 0.000 2.398 462 V HA 0.480 4.617 4.120 0.028 0.000 0.286 462 V C -1.742 174.393 176.094 0.068 0.000 1.026 462 V CA -1.968 60.362 62.300 0.049 0.000 0.868 462 V CB 1.863 33.672 31.823 -0.023 0.000 0.982 462 V HN 0.080 nan 8.190 nan 0.000 0.443 463 P HA -0.009 nan 4.420 nan 0.000 0.261 463 P C 0.019 177.361 177.300 0.070 0.000 1.173 463 P CA 0.475 63.619 63.100 0.074 0.000 0.760 463 P CB 0.146 31.879 31.700 0.056 0.000 0.783 464 Q N 2.674 122.529 119.800 0.092 0.000 2.127 464 Q HA 0.617 4.975 4.340 0.028 0.000 0.222 464 Q C -0.121 175.932 176.000 0.088 0.000 0.794 464 Q CA -0.541 55.313 55.803 0.086 0.000 1.010 464 Q CB 0.855 29.651 28.738 0.096 0.000 1.170 464 Q HN 0.331 nan 8.270 nan 0.000 0.479 465 A N 0.325 123.200 122.820 0.091 0.000 2.544 465 A HA 0.754 5.091 4.320 0.028 0.000 0.291 465 A C -1.471 176.164 177.584 0.085 0.000 1.055 465 A CA -0.500 51.593 52.037 0.093 0.000 0.651 465 A CB 0.214 19.282 19.000 0.113 0.000 1.296 465 A HN 0.374 nan 8.150 nan 0.000 0.431 466 A N 0.068 122.934 122.820 0.078 0.000 2.351 466 A HA 0.628 4.965 4.320 0.028 0.000 0.257 466 A C 1.489 179.122 177.584 0.082 0.000 1.087 466 A CA 0.546 52.623 52.037 0.066 0.000 0.798 466 A CB -0.014 19.015 19.000 0.049 0.000 1.033 466 A HN 2.403 nan 8.150 nan 0.000 0.488 467 A N 0.811 123.677 122.820 0.076 0.000 1.986 467 A HA -0.146 4.191 4.320 0.028 0.000 0.220 467 A C 1.674 179.316 177.584 0.096 0.000 1.171 467 A CA 1.813 53.903 52.037 0.088 0.000 0.640 467 A CB -0.490 18.557 19.000 0.078 0.000 0.811 467 A HN 0.869 nan 8.150 nan 0.000 0.451 468 E N 0.649 120.900 120.200 0.086 0.000 2.478 468 E HA -0.150 4.217 4.350 0.028 0.000 0.198 468 E C 0.858 177.527 176.600 0.115 0.000 1.046 468 E CA 0.945 57.401 56.400 0.093 0.000 0.870 468 E CB -0.497 29.244 29.700 0.068 0.000 0.818 468 E HN 0.798 nan 8.360 nan 0.000 0.527 469 E N 1.193 121.467 120.200 0.124 0.000 2.489 469 E HA 0.037 4.404 4.350 0.028 0.000 0.193 469 E C -0.052 176.618 176.600 0.116 0.000 1.057 469 E CA 0.056 56.551 56.400 0.158 0.000 0.866 469 E CB 0.108 29.918 29.700 0.183 0.000 0.916 469 E HN 0.085 nan 8.360 nan 0.000 0.500 470 T N 2.406 117.025 114.554 0.108 0.000 2.934 470 T HA 0.070 4.437 4.350 0.028 0.000 0.306 470 T C 0.262 174.987 174.700 0.041 0.000 1.042 470 T CA 0.210 62.348 62.100 0.064 0.000 1.145 470 T CB 0.461 69.367 68.868 0.063 0.000 0.982 470 T HN -0.043 nan 8.240 nan 0.000 0.544 471 R N 2.038 122.528 120.500 -0.017 0.000 2.740 471 R HA 0.509 4.866 4.340 0.028 0.000 0.282 471 R C -0.943 175.323 176.300 -0.057 0.000 0.969 471 R CA -0.777 55.336 56.100 0.022 0.000 0.918 471 R CB 1.244 31.514 30.300 -0.050 0.000 1.175 471 R HN 0.716 nan 8.270 nan 0.000 0.464 472 H N 0.098 119.262 119.070 0.158 0.000 2.600 472 H HA 0.359 4.927 4.556 0.021 0.000 0.357 472 H C -0.674 174.725 175.328 0.118 0.000 1.106 472 H CA -0.537 55.584 56.048 0.123 0.000 1.193 472 H CB 2.452 32.252 29.762 0.065 0.000 1.594 472 H HN 0.347 nan 8.280 nan 0.000 0.526 473 Q N 2.213 122.128 119.800 0.191 0.000 2.337 473 Q HA 0.568 4.925 4.340 0.028 0.000 0.270 473 Q C -0.264 175.780 176.000 0.072 0.000 1.043 473 Q CA -0.735 55.144 55.803 0.128 0.000 0.794 473 Q CB 1.929 30.744 28.738 0.128 0.000 1.281 473 Q HN 0.831 nan 8.270 nan 0.000 0.446 474 A N 3.603 126.458 122.820 0.058 0.000 1.933 474 A HA -0.103 4.234 4.320 0.028 0.000 0.218 474 A C 0.725 178.326 177.584 0.030 0.000 1.175 474 A CA 1.158 53.215 52.037 0.034 0.000 0.628 474 A CB -0.112 18.905 19.000 0.029 0.000 0.814 474 A HN 0.771 nan 8.150 nan 0.000 0.444 475 E N -0.244 119.980 120.200 0.041 0.000 2.089 475 E HA 0.293 4.660 4.350 0.028 0.000 0.284 475 E C -1.198 175.427 176.600 0.041 0.000 1.023 475 E CA -0.782 55.667 56.400 0.082 0.000 0.819 475 E CB 0.256 30.020 29.700 0.106 0.000 1.076 475 E HN 0.406 nan 8.360 nan 0.000 0.396 476 Y N 3.965 124.273 120.300 0.013 0.000 2.511 476 Y HA 0.017 4.607 4.550 0.068 0.000 0.332 476 Y C -0.574 175.362 175.900 0.061 0.000 1.177 476 Y CA 0.495 58.569 58.100 -0.043 0.000 1.422 476 Y CB 0.602 39.075 38.460 0.021 0.000 1.271 476 Y HN 0.475 nan 8.280 nan 0.000 0.550 477 Q N 4.717 123.936 119.800 -0.969 0.000 2.274 477 Q HA 0.166 4.523 4.340 0.028 0.000 0.268 477 Q C -1.166 174.429 176.000 -0.675 0.000 1.015 477 Q CA -0.972 54.523 55.803 -0.514 0.000 0.775 477 Q CB 1.366 29.959 28.738 -0.241 0.000 1.256 477 Q HN 0.614 nan 8.270 nan 0.000 0.442 478 N N 3.729 122.298 118.700 -0.219 0.000 2.895 478 N HA 0.055 4.812 4.740 0.028 0.000 0.277 478 N C -1.142 174.533 175.510 0.275 0.000 1.185 478 N CA 0.103 53.261 53.050 0.180 0.000 1.106 478 N CB 0.066 38.813 38.487 0.432 0.000 1.422 478 N HN 0.578 nan 8.380 nan 0.000 0.521 479 R N -0.623 120.021 120.500 0.239 0.000 2.795 479 R HA 0.678 5.035 4.340 0.028 0.000 0.268 479 R C 0.020 176.426 176.300 0.177 0.000 1.041 479 R CA -1.117 55.073 56.100 0.150 0.000 0.927 479 R CB -0.066 30.280 30.300 0.077 0.000 1.235 479 R HN 0.077 nan 8.270 nan 0.000 0.463 480 G N 0.002 108.806 108.800 0.006 0.000 2.484 480 G HA2 0.110 4.087 3.960 0.028 0.000 0.235 480 G HA3 0.110 4.087 3.960 0.028 0.000 0.235 480 G C 0.450 175.409 174.900 0.098 0.000 1.282 480 G CA -0.108 44.950 45.100 -0.069 0.000 0.857 480 G HN 0.600 nan 8.290 nan 0.000 0.571 481 T N 1.042 115.507 114.554 -0.149 0.000 2.759 481 T HA -0.083 4.284 4.350 0.028 0.000 0.269 481 T C 0.930 175.687 174.700 0.095 0.000 1.042 481 T CA 2.098 64.082 62.100 -0.193 0.000 1.140 481 T CB -0.140 68.568 68.868 -0.267 0.000 0.864 481 T HN 0.847 nan 8.240 nan 0.000 0.455 482 E N 0.541 120.774 120.200 0.055 0.000 2.336 482 E HA 0.525 4.892 4.350 0.028 0.000 0.267 482 E C -1.217 175.372 176.600 -0.018 0.000 0.906 482 E CA -1.055 55.393 56.400 0.080 0.000 0.781 482 E CB 1.004 30.709 29.700 0.009 0.000 1.261 482 E HN -0.091 nan 8.360 nan 0.000 0.436 483 N N 1.717 120.439 118.700 0.037 0.000 2.249 483 N HA 0.327 5.084 4.740 0.028 0.000 0.296 483 N C -1.731 173.833 175.510 0.090 0.000 1.051 483 N CA -0.617 52.394 53.050 -0.067 0.000 0.815 483 N CB 1.810 40.157 38.487 -0.233 0.000 1.487 483 N HN 0.754 nan 8.380 nan 0.000 0.475 484 D N 1.034 121.440 120.400 0.011 0.000 2.732 484 D HA 0.404 5.061 4.640 0.028 0.000 0.229 484 D C -0.873 175.509 176.300 0.137 0.000 1.152 484 D CA -0.477 53.599 54.000 0.126 0.000 0.854 484 D CB 2.460 43.286 40.800 0.044 0.000 1.590 484 D HN 0.306 nan 8.370 nan 0.000 0.468 485 M N 1.823 121.564 119.600 0.235 0.000 2.386 485 M HA 0.507 5.004 4.480 0.028 0.000 0.293 485 M C -2.169 174.186 176.300 0.093 0.000 1.120 485 M CA -0.697 54.715 55.300 0.187 0.000 0.909 485 M CB 1.867 34.676 32.600 0.348 0.000 1.661 485 M HN 0.426 nan 8.290 nan 0.000 0.452 486 I N 4.638 125.169 120.570 -0.064 0.000 2.498 486 I HA 0.539 4.726 4.170 0.028 0.000 0.290 486 I C -1.001 174.939 176.117 -0.295 0.000 1.032 486 I CA -0.641 60.474 61.300 -0.308 0.000 1.073 486 I CB 2.175 39.883 38.000 -0.487 0.000 1.251 486 I HN 0.353 nan 8.210 nan 0.000 0.426 487 V N 6.024 125.721 119.914 -0.363 0.000 2.409 487 V HA 0.458 4.595 4.120 0.028 0.000 0.291 487 V C -0.717 175.141 176.094 -0.392 0.000 1.020 487 V CA -0.554 61.623 62.300 -0.206 0.000 0.848 487 V CB 1.325 33.161 31.823 0.022 0.000 0.990 487 V HN 0.357 nan 8.190 nan 0.000 0.430 488 F N 1.925 121.833 119.950 -0.071 0.000 2.421 488 F HA 0.435 4.979 4.527 0.029 0.000 0.337 488 F C 1.307 177.083 175.800 -0.040 0.000 1.105 488 F CA -0.559 57.394 58.000 -0.079 0.000 1.049 488 F CB 1.847 40.797 39.000 -0.083 0.000 1.139 488 F HN 0.567 nan 8.300 nan 0.000 0.479 489 S N 2.507 118.320 115.700 0.188 0.000 3.378 489 S HA -0.139 4.349 4.470 0.028 0.000 0.365 489 S C -2.439 172.200 174.600 0.064 0.000 0.951 489 S CA -0.386 57.875 58.200 0.101 0.000 1.274 489 S CB -1.867 61.388 63.200 0.092 0.000 0.915 489 S HN 0.345 nan 8.310 nan 0.000 0.513 490 P HA 0.078 nan 4.420 nan 0.000 0.267 490 P C 1.134 178.454 177.300 0.033 0.000 1.200 490 P CA 0.087 63.208 63.100 0.036 0.000 0.772 490 P CB 0.472 32.192 31.700 0.033 0.000 0.855 491 T N -2.786 111.785 114.554 0.029 0.000 3.100 491 T HA -0.021 4.346 4.350 0.028 0.000 0.253 491 T C 1.125 175.838 174.700 0.022 0.000 1.118 491 T CA 0.954 63.069 62.100 0.024 0.000 1.058 491 T CB -1.059 67.820 68.868 0.020 0.000 0.953 491 T HN 0.491 nan 8.240 nan 0.000 0.515 492 T N -1.400 113.170 114.554 0.026 0.000 3.069 492 T HA 0.416 4.783 4.350 0.028 0.000 0.252 492 T C 0.466 175.184 174.700 0.031 0.000 1.053 492 T CA -0.282 61.834 62.100 0.026 0.000 0.964 492 T CB 0.093 68.978 68.868 0.028 0.000 1.005 492 T HN 0.328 nan 8.240 nan 0.000 0.532 493 S N 0.841 116.559 115.700 0.029 0.000 2.570 493 S HA 0.334 4.821 4.470 0.028 0.000 0.270 493 S C -0.397 174.217 174.600 0.023 0.000 1.149 493 S CA -0.451 57.765 58.200 0.028 0.000 0.837 493 S CB 1.623 64.839 63.200 0.026 0.000 1.124 493 S HN 0.350 nan 8.310 nan 0.000 0.465 494 D N 1.211 121.625 120.400 0.022 0.000 2.349 494 D HA 0.049 4.706 4.640 0.028 0.000 0.215 494 D C 0.148 176.462 176.300 0.024 0.000 1.016 494 D CA -0.199 53.815 54.000 0.023 0.000 0.870 494 D CB 0.093 40.905 40.800 0.021 0.000 0.917 494 D HN 0.102 nan 8.370 nan 0.000 0.524 495 R N 1.692 122.202 120.500 0.017 0.000 2.537 495 R HA 0.178 4.535 4.340 0.028 0.000 0.280 495 R C -1.505 174.803 176.300 0.014 0.000 1.058 495 R CA -1.727 54.380 56.100 0.012 0.000 1.057 495 R CB 0.096 30.391 30.300 -0.008 0.000 0.973 495 R HN 0.021 nan 8.270 nan 0.000 0.438 496 P HA -0.041 nan 4.420 nan 0.000 0.221 496 P C -0.509 176.832 177.300 0.068 0.000 1.150 496 P CA 0.856 64.002 63.100 0.077 0.000 0.800 496 P CB 0.490 32.256 31.700 0.109 0.000 0.787 497 V N -0.589 119.282 119.914 -0.072 0.000 2.888 497 V HA 0.364 4.501 4.120 0.028 0.000 0.309 497 V C -0.523 175.327 176.094 -0.407 0.000 1.114 497 V CA -0.737 61.346 62.300 -0.362 0.000 0.940 497 V CB 2.635 34.135 31.823 -0.540 0.000 1.021 497 V HN -0.196 nan 8.190 nan 0.000 0.426 498 L N 2.865 123.769 121.223 -0.532 0.000 2.370 498 L HA 1.013 5.370 4.340 0.028 0.000 0.266 498 L C -0.197 176.123 176.870 -0.916 0.000 1.002 498 L CA -0.607 53.828 54.840 -0.675 0.000 0.818 498 L CB 2.205 43.936 42.059 -0.546 0.000 1.325 498 L HN 0.857 nan 8.230 nan 0.000 0.418 499 A N 2.016 124.127 122.820 -1.181 0.000 2.574 499 A HA 0.830 5.167 4.320 0.028 0.000 0.297 499 A C -2.111 174.908 177.584 -0.941 0.000 1.062 499 A CA -0.526 51.040 52.037 -0.786 0.000 0.686 499 A CB 1.550 20.287 19.000 -0.438 0.000 1.285 499 A HN 0.673 nan 8.150 nan 0.000 0.403 500 W N 0.767 121.899 121.300 -0.280 0.000 3.083 500 W HA 0.559 5.236 4.660 0.028 0.000 0.333 500 W C -1.094 175.323 176.519 -0.170 0.000 1.217 500 W CA -0.226 56.937 57.345 -0.304 0.000 1.170 500 W CB 2.321 31.531 29.460 -0.417 0.000 1.437 500 W HN 1.033 nan 8.180 nan 0.000 0.557 501 D N -0.981 119.478 120.400 0.097 0.000 2.759 501 D HA 0.535 5.192 4.640 0.028 0.000 0.321 501 D C -1.942 174.436 176.300 0.129 0.000 1.267 501 D CA -0.611 53.465 54.000 0.126 0.000 0.933 501 D CB 1.996 42.829 40.800 0.055 0.000 1.431 501 D HN 0.142 nan 8.370 nan 0.000 0.504 502 V N -0.092 119.917 119.914 0.159 0.000 2.697 502 V HA 0.494 4.631 4.120 0.028 0.000 0.300 502 V C -1.737 174.445 176.094 0.147 0.000 1.115 502 V CA -0.451 61.952 62.300 0.173 0.000 0.912 502 V CB 1.603 33.595 31.823 0.282 0.000 1.024 502 V HN 0.582 nan 8.190 nan 0.000 0.431 503 V N 7.146 127.102 119.914 0.071 0.000 2.320 503 V HA 0.770 4.907 4.120 0.028 0.000 0.268 503 V C 0.501 176.580 176.094 -0.025 0.000 1.021 503 V CA 0.108 62.422 62.300 0.022 0.000 0.813 503 V CB 1.097 32.905 31.823 -0.025 0.000 1.054 503 V HN 1.076 nan 8.190 nan 0.000 0.444 504 A N 5.479 128.268 122.820 -0.052 0.000 2.312 504 A HA 0.860 5.198 4.320 0.028 0.000 0.328 504 A C -1.832 175.581 177.584 -0.284 0.000 1.158 504 A CA -1.640 50.275 52.037 -0.205 0.000 0.821 504 A CB 1.362 20.181 19.000 -0.301 0.000 1.170 504 A HN 0.528 nan 8.150 nan 0.000 0.490 505 P HA 0.161 nan 4.420 nan 0.000 0.222 505 P C 0.654 177.803 177.300 -0.251 0.000 1.153 505 P CA 1.474 64.292 63.100 -0.470 0.000 0.798 505 P CB 0.317 31.689 31.700 -0.547 0.000 0.796 506 G N -1.642 107.048 108.800 -0.182 0.000 2.441 506 G HA2 0.180 4.157 3.960 0.028 0.000 0.294 506 G HA3 0.180 4.157 3.960 0.028 0.000 0.294 506 G C -0.347 174.509 174.900 -0.072 0.000 1.393 506 G CA -0.224 44.826 45.100 -0.085 0.000 0.796 506 G HN -0.169 nan 8.290 nan 0.000 0.494 507 Q N 0.050 119.822 119.800 -0.046 0.000 2.079 507 Q HA 0.126 4.483 4.340 0.028 0.000 0.200 507 Q C 1.431 177.425 176.000 -0.011 0.000 0.974 507 Q CA 2.006 57.749 55.803 -0.099 0.000 0.840 507 Q CB -0.168 28.471 28.738 -0.165 0.000 0.898 507 Q HN 0.615 nan 8.270 nan 0.000 0.430 508 S N -1.601 114.154 115.700 0.091 0.000 2.541 508 S HA 0.596 5.083 4.470 0.028 0.000 0.283 508 S C 0.520 175.229 174.600 0.181 0.000 1.196 508 S CA -0.267 58.039 58.200 0.177 0.000 1.062 508 S CB 1.340 64.698 63.200 0.262 0.000 1.009 508 S HN 0.435 nan 8.310 nan 0.000 0.502 509 G N 2.871 111.806 108.800 0.225 0.000 3.159 509 G HA2 0.178 4.155 3.960 0.028 0.000 0.232 509 G HA3 0.178 4.155 3.960 0.028 0.000 0.232 509 G C -0.059 175.057 174.900 0.360 0.000 1.116 509 G CA -0.369 44.873 45.100 0.238 0.000 0.767 509 G HN 0.627 nan 8.290 nan 0.000 0.547 510 F N 1.959 122.036 119.950 0.211 0.000 2.543 510 F HA 0.506 5.050 4.527 0.028 0.000 0.375 510 F C -0.035 175.815 175.800 0.083 0.000 1.075 510 F CA -0.725 57.355 58.000 0.135 0.000 1.225 510 F CB 0.427 39.484 39.000 0.096 0.000 1.099 510 F HN -0.156 nan 8.300 nan 0.000 0.561 511 I N 6.404 126.487 120.570 -0.811 0.000 2.466 511 I HA 0.424 4.611 4.170 0.028 0.000 0.289 511 I C 0.001 175.432 176.117 -1.144 0.000 1.026 511 I CA -0.975 59.881 61.300 -0.741 0.000 1.078 511 I CB 1.535 39.290 38.000 -0.409 0.000 1.249 511 I HN 0.750 nan 8.210 nan 0.000 0.429 512 A N 7.581 129.923 122.820 -0.797 0.000 2.327 512 A HA 0.442 4.779 4.320 0.028 0.000 0.255 512 A C -1.712 175.728 177.584 -0.239 0.000 1.099 512 A CA -0.974 50.810 52.037 -0.421 0.000 0.801 512 A CB -0.286 18.704 19.000 -0.016 0.000 1.062 512 A HN 0.581 nan 8.150 nan 0.000 0.496 513 P HA -0.143 nan 4.420 nan 0.000 0.218 513 P C 0.437 177.700 177.300 -0.063 0.000 1.148 513 P CA 1.656 64.718 63.100 -0.064 0.000 0.822 513 P CB -0.008 31.686 31.700 -0.010 0.000 0.784 514 D N -1.876 118.491 120.400 -0.054 0.000 2.319 514 D HA 0.093 4.751 4.640 0.028 0.000 0.230 514 D C 1.359 177.616 176.300 -0.070 0.000 1.094 514 D CA 0.458 54.429 54.000 -0.048 0.000 0.856 514 D CB -0.864 39.919 40.800 -0.028 0.000 0.915 514 D HN 0.238 nan 8.370 nan 0.000 0.517 515 G N -0.425 108.310 108.800 -0.110 0.000 2.175 515 G HA2 -0.255 3.722 3.960 0.028 0.000 0.244 515 G HA3 -0.255 3.722 3.960 0.028 0.000 0.244 515 G C 0.368 175.172 174.900 -0.159 0.000 0.982 515 G CA 0.201 45.222 45.100 -0.131 0.000 0.641 515 G HN 0.424 nan 8.290 nan 0.000 0.527 516 T N 2.289 116.761 114.554 -0.138 0.000 2.751 516 T HA 0.459 4.826 4.350 0.028 0.000 0.290 516 T C 0.957 175.548 174.700 -0.181 0.000 0.919 516 T CA 0.354 62.381 62.100 -0.122 0.000 1.136 516 T CB 1.391 70.228 68.868 -0.052 0.000 0.875 516 T HN 1.402 nan 8.240 nan 0.000 0.532 517 V N 1.589 121.355 119.914 -0.245 0.000 2.881 517 V HA 0.376 4.513 4.120 0.028 0.000 0.303 517 V C 0.396 176.421 176.094 -0.115 0.000 1.070 517 V CA -1.131 60.946 62.300 -0.372 0.000 1.074 517 V CB 0.834 32.183 31.823 -0.791 0.000 1.012 517 V HN 0.730 nan 8.190 nan 0.000 0.482 518 D N 2.248 122.669 120.400 0.035 0.000 2.378 518 D HA 0.095 4.752 4.640 0.028 0.000 0.238 518 D C 1.404 177.743 176.300 0.066 0.000 1.180 518 D CA 0.502 54.598 54.000 0.160 0.000 0.895 518 D CB 0.929 41.908 40.800 0.299 0.000 1.192 518 D HN 0.824 nan 8.370 nan 0.000 0.438 519 K N 1.047 121.418 120.400 -0.047 0.000 2.283 519 K HA -0.138 4.199 4.320 0.028 0.000 0.202 519 K C 0.460 176.854 176.600 -0.344 0.000 1.048 519 K CA 1.128 57.278 56.287 -0.229 0.000 0.948 519 K CB -0.024 32.253 32.500 -0.372 0.000 0.742 519 K HN 0.441 nan 8.250 nan 0.000 0.458 520 H N -0.648 118.493 119.070 0.118 0.000 2.472 520 H HA 0.070 4.643 4.556 0.027 0.000 0.287 520 H C 0.029 175.428 175.328 0.118 0.000 1.112 520 H CA -0.435 55.669 56.048 0.093 0.000 1.021 520 H CB 0.072 29.869 29.762 0.058 0.000 1.635 520 H HN 0.275 nan 8.280 nan 0.000 0.559 521 Y N 2.196 122.542 120.300 0.077 0.000 2.420 521 Y HA -0.059 4.509 4.550 0.031 0.000 0.292 521 Y C 1.212 177.116 175.900 0.007 0.000 1.119 521 Y CA 1.253 59.381 58.100 0.047 0.000 1.229 521 Y CB 0.856 39.332 38.460 0.027 0.000 1.026 521 Y HN 0.337 nan 8.280 nan 0.000 0.554 522 E N -1.449 118.803 120.200 0.087 0.000 2.933 522 E HA 0.048 4.415 4.350 0.028 0.000 0.175 522 E C -0.100 176.503 176.600 0.006 0.000 0.932 522 E CA 0.361 56.748 56.400 -0.023 0.000 1.340 522 E CB -0.517 29.220 29.700 0.062 0.000 1.025 522 E HN 0.399 nan 8.360 nan 0.000 0.461 523 D N 0.950 121.381 120.400 0.051 0.000 2.336 523 D HA -0.077 4.580 4.640 0.028 0.000 0.229 523 D C 1.010 177.337 176.300 0.045 0.000 1.061 523 D CA 0.124 54.165 54.000 0.068 0.000 0.875 523 D CB 0.246 41.127 40.800 0.134 0.000 0.904 523 D HN 0.337 nan 8.370 nan 0.000 0.525 524 Q N -0.640 119.161 119.800 0.002 0.000 2.149 524 Q HA 0.168 4.525 4.340 0.028 0.000 0.221 524 Q C 1.159 177.159 176.000 0.001 0.000 0.807 524 Q CA -0.375 55.436 55.803 0.013 0.000 1.000 524 Q CB 0.660 29.403 28.738 0.009 0.000 1.157 524 Q HN 0.048 nan 8.270 nan 0.000 0.487 525 L N 1.206 122.394 121.223 -0.059 0.000 2.027 525 L HA -0.139 4.218 4.340 0.028 0.000 0.206 525 L C 1.955 178.846 176.870 0.034 0.000 1.074 525 L CA 1.907 56.693 54.840 -0.089 0.000 0.745 525 L CB -0.118 41.843 42.059 -0.163 0.000 0.898 525 L HN -0.013 nan 8.230 nan 0.000 0.433 526 K N -1.091 119.329 120.400 0.032 0.000 2.097 526 K HA -0.138 4.199 4.320 0.028 0.000 0.205 526 K C 2.085 178.715 176.600 0.051 0.000 1.050 526 K CA 1.455 57.768 56.287 0.043 0.000 0.938 526 K CB -0.539 31.982 32.500 0.035 0.000 0.718 526 K HN 0.356 nan 8.250 nan 0.000 0.442 527 M N -0.272 119.366 119.600 0.063 0.000 2.149 527 M HA -0.235 4.262 4.480 0.028 0.000 0.261 527 M C 2.131 178.483 176.300 0.087 0.000 1.064 527 M CA 1.591 56.932 55.300 0.069 0.000 1.102 527 M CB -0.227 32.418 32.600 0.075 0.000 1.369 527 M HN 0.083 nan 8.290 nan 0.000 0.408 528 Y N 0.906 121.203 120.300 -0.005 0.000 2.114 528 Y HA -0.298 4.264 4.550 0.020 0.000 0.284 528 Y C 2.315 178.119 175.900 -0.161 0.000 1.143 528 Y CA 2.488 60.580 58.100 -0.014 0.000 1.135 528 Y CB -0.467 38.036 38.460 0.072 0.000 0.980 528 Y HN 0.411 nan 8.280 nan 0.000 0.499 529 E N 0.001 120.175 120.200 -0.043 0.000 2.118 529 E HA -0.255 4.112 4.350 0.028 0.000 0.195 529 E C 0.897 177.266 176.600 -0.385 0.000 0.992 529 E CA 1.681 57.951 56.400 -0.216 0.000 0.804 529 E CB -0.304 29.387 29.700 -0.015 0.000 0.741 529 E HN 0.652 nan 8.360 nan 0.000 0.458 530 N N -0.524 118.058 118.700 -0.197 0.000 2.313 530 N HA 0.095 4.852 4.740 0.028 0.000 0.207 530 N C -0.819 174.734 175.510 0.071 0.000 1.141 530 N CA 0.063 53.084 53.050 -0.049 0.000 0.830 530 N CB 0.153 38.660 38.487 0.033 0.000 1.008 530 N HN 0.111 nan 8.380 nan 0.000 0.481 531 F N -1.589 118.359 119.950 -0.004 0.000 3.093 531 F HA -0.231 4.313 4.527 0.028 0.000 0.287 531 F C 1.283 177.232 175.800 0.249 0.000 0.882 531 F CA 0.308 58.367 58.000 0.098 0.000 1.063 531 F CB -2.045 37.005 39.000 0.085 0.000 1.097 531 F HN 0.089 nan 8.300 nan 0.000 0.604 532 G N 0.317 109.235 108.800 0.197 0.000 2.563 532 G HA2 0.755 4.732 3.960 0.028 0.000 0.283 532 G HA3 0.755 4.732 3.960 0.028 0.000 0.283 532 G C -0.127 174.816 174.900 0.072 0.000 1.309 532 G CA -0.310 44.837 45.100 0.077 0.000 1.022 532 G HN 0.497 nan 8.290 nan 0.000 0.501 533 R N -1.450 118.999 120.500 -0.085 0.000 2.687 533 R HA 0.472 4.829 4.340 0.028 0.000 0.265 533 R C -1.230 175.040 176.300 -0.050 0.000 1.048 533 R CA -1.107 54.933 56.100 -0.101 0.000 0.884 533 R CB 1.219 31.245 30.300 -0.457 0.000 1.258 533 R HN 0.692 nan 8.270 nan 0.000 0.469 534 K N 0.744 121.153 120.400 0.014 0.000 2.208 534 K HA 0.514 4.851 4.320 0.028 0.000 0.247 534 K C -0.770 175.776 176.600 -0.091 0.000 0.953 534 K CA -0.875 55.403 56.287 -0.015 0.000 0.837 534 K CB 2.125 34.594 32.500 -0.052 0.000 1.131 534 K HN 0.434 nan 8.250 nan 0.000 0.431 535 S N 1.690 117.164 115.700 -0.377 0.000 2.549 535 S HA 0.175 4.662 4.470 0.028 0.000 0.279 535 S C -0.123 173.784 174.600 -1.155 0.000 1.321 535 S CA -0.671 56.915 58.200 -1.024 0.000 1.054 535 S CB 0.075 62.283 63.200 -1.654 0.000 0.899 535 S HN 0.392 nan 8.310 nan 0.000 0.497 536 L N 3.706 124.347 121.223 -0.969 0.000 2.260 536 L HA 0.365 4.723 4.340 0.028 0.000 0.289 536 L C -0.565 175.894 176.870 -0.684 0.000 1.057 536 L CA -0.406 54.042 54.840 -0.653 0.000 0.811 536 L CB 0.479 42.328 42.059 -0.351 0.000 1.184 536 L HN 0.702 nan 8.230 nan 0.000 0.429 537 W N 4.186 125.388 121.300 -0.163 0.000 2.375 537 W HA 0.343 5.021 4.660 0.030 0.000 0.336 537 W C 0.555 177.036 176.519 -0.064 0.000 1.160 537 W CA -0.699 56.568 57.345 -0.132 0.000 1.266 537 W CB 1.127 30.517 29.460 -0.118 0.000 1.195 537 W HN 0.360 nan 8.180 nan 0.000 0.599 538 L N 1.131 122.492 121.223 0.230 0.000 2.678 538 L HA 0.199 4.556 4.340 0.028 0.000 0.211 538 L C 1.272 178.188 176.870 0.076 0.000 1.043 538 L CA 0.883 55.817 54.840 0.157 0.000 0.881 538 L CB -0.575 41.558 42.059 0.123 0.000 1.361 538 L HN 0.375 nan 8.230 nan 0.000 0.484 539 T N -2.310 112.283 114.554 0.064 0.000 2.868 539 T HA 0.131 4.498 4.350 0.028 0.000 0.292 539 T C 1.044 175.693 174.700 -0.085 0.000 1.028 539 T CA -0.232 61.863 62.100 -0.009 0.000 1.059 539 T CB 0.916 69.793 68.868 0.015 0.000 0.991 539 T HN 0.207 nan 8.240 nan 0.000 0.531 540 K N 0.830 121.162 120.400 -0.114 0.000 2.063 540 K HA -0.185 4.152 4.320 0.028 0.000 0.208 540 K C 2.572 179.111 176.600 -0.102 0.000 1.048 540 K CA 1.821 58.032 56.287 -0.127 0.000 0.928 540 K CB -0.163 32.281 32.500 -0.093 0.000 0.713 540 K HN 0.623 nan 8.250 nan 0.000 0.442 541 Q N 0.614 120.365 119.800 -0.082 0.000 2.119 541 Q HA -0.137 4.220 4.340 0.028 0.000 0.201 541 Q C 1.618 177.534 176.000 -0.141 0.000 0.972 541 Q CA 1.484 57.230 55.803 -0.095 0.000 0.847 541 Q CB 0.032 28.729 28.738 -0.068 0.000 0.903 541 Q HN 0.248 nan 8.270 nan 0.000 0.433 542 D N -0.499 119.820 120.400 -0.135 0.000 2.117 542 D HA -0.105 4.552 4.640 0.028 0.000 0.198 542 D C 1.895 177.975 176.300 -0.368 0.000 0.982 542 D CA 0.890 54.729 54.000 -0.269 0.000 0.828 542 D CB -0.164 40.552 40.800 -0.139 0.000 0.967 542 D HN 0.052 nan 8.370 nan 0.000 0.464 543 V N 0.982 120.780 119.914 -0.193 0.000 2.287 543 V HA -0.243 3.894 4.120 0.028 0.000 0.248 543 V C 2.449 178.456 176.094 -0.145 0.000 1.053 543 V CA 1.861 64.081 62.300 -0.133 0.000 1.027 543 V CB -0.437 31.348 31.823 -0.064 0.000 0.646 543 V HN 0.125 nan 8.190 nan 0.000 0.447 544 E N 0.841 120.954 120.200 -0.145 0.000 2.106 544 E HA -0.145 4.222 4.350 0.028 0.000 0.192 544 E C 2.033 178.520 176.600 -0.187 0.000 0.984 544 E CA 1.521 57.842 56.400 -0.132 0.000 0.806 544 E CB -0.434 29.200 29.700 -0.109 0.000 0.750 544 E HN 0.520 nan 8.360 nan 0.000 0.458 545 A N -0.637 122.021 122.820 -0.269 0.000 2.066 545 A HA -0.092 4.245 4.320 0.028 0.000 0.218 545 A C 0.972 178.162 177.584 -0.657 0.000 1.157 545 A CA 1.402 53.186 52.037 -0.422 0.000 0.670 545 A CB -0.535 18.183 19.000 -0.470 0.000 0.804 545 A HN 0.392 nan 8.150 nan 0.000 0.453 546 H N -1.172 117.682 119.070 -0.359 0.000 2.486 546 H HA 0.250 4.824 4.556 0.029 0.000 0.284 546 H C 0.192 175.448 175.328 -0.120 0.000 1.103 546 H CA -0.210 55.681 56.048 -0.262 0.000 1.089 546 H CB 0.169 29.666 29.762 -0.443 0.000 1.603 546 H HN 0.377 nan 8.280 nan 0.000 0.557 547 K N 1.462 121.823 120.400 -0.065 0.000 2.368 547 K HA -0.012 4.325 4.320 0.028 0.000 0.282 547 K C 0.893 177.495 176.600 0.004 0.000 1.035 547 K CA 0.041 56.317 56.287 -0.019 0.000 0.973 547 K CB 0.938 33.414 32.500 -0.040 0.000 0.957 547 K HN 0.393 nan 8.250 nan 0.000 0.474 548 E N 2.352 122.574 120.200 0.036 0.000 2.201 548 E HA -0.016 4.351 4.350 0.028 0.000 0.193 548 E C -0.546 176.079 176.600 0.042 0.000 0.957 548 E CA 0.317 56.750 56.400 0.055 0.000 0.858 548 E CB 0.408 30.175 29.700 0.111 0.000 0.816 548 E HN 0.714 nan 8.360 nan 0.000 0.475 549 S N -0.630 115.091 115.700 0.035 0.000 2.615 549 S HA 0.409 4.896 4.470 0.028 0.000 0.269 549 S C -1.254 173.355 174.600 0.016 0.000 1.161 549 S CA -1.041 57.174 58.200 0.025 0.000 0.817 549 S CB 1.757 64.977 63.200 0.034 0.000 1.131 549 S HN 0.232 nan 8.310 nan 0.000 0.467 550 Q N -0.139 119.666 119.800 0.008 0.000 2.472 550 Q HA 0.737 5.094 4.340 0.028 0.000 0.281 550 Q C -1.814 174.184 176.000 -0.003 0.000 0.997 550 Q CA -0.814 54.991 55.803 0.003 0.000 0.828 550 Q CB 1.918 30.655 28.738 -0.002 0.000 1.443 550 Q HN 0.776 nan 8.270 nan 0.000 0.390 551 E N 0.737 120.931 120.200 -0.010 0.000 2.340 551 E HA 0.622 4.989 4.350 0.028 0.000 0.273 551 E C -1.690 174.885 176.600 -0.042 0.000 0.891 551 E CA -1.016 55.371 56.400 -0.021 0.000 0.757 551 E CB 2.768 32.455 29.700 -0.022 0.000 1.231 551 E HN 0.445 nan 8.360 nan 0.000 0.439 552 V N 4.554 124.428 119.914 -0.066 0.000 2.483 552 V HA 0.399 4.536 4.120 0.028 0.000 0.297 552 V C -0.466 175.476 176.094 -0.252 0.000 1.027 552 V CA -0.628 61.588 62.300 -0.141 0.000 0.855 552 V CB 1.238 32.994 31.823 -0.111 0.000 0.995 552 V HN 0.524 nan 8.190 nan 0.000 0.424 553 L N 4.410 125.451 121.223 -0.303 0.000 2.334 553 L HA 0.670 5.027 4.340 0.028 0.000 0.272 553 L C -0.782 175.771 176.870 -0.527 0.000 1.020 553 L CA -0.794 53.871 54.840 -0.292 0.000 0.812 553 L CB 1.548 43.531 42.059 -0.128 0.000 1.264 553 L HN 0.641 nan 8.230 nan 0.000 0.439 554 H N 0.889 119.963 119.070 0.007 0.000 2.860 554 H HA 0.590 5.163 4.556 0.029 0.000 0.312 554 H C -1.122 174.210 175.328 0.007 0.000 0.995 554 H CA -0.515 55.538 56.048 0.008 0.000 1.311 554 H CB 1.739 31.505 29.762 0.006 0.000 1.478 554 H HN 0.212 nan 8.280 nan 0.000 0.508 555 V N 3.115 123.079 119.914 0.085 0.000 2.709 555 V HA 0.297 4.434 4.120 0.028 0.000 0.308 555 V C -0.410 175.711 176.094 0.046 0.000 1.062 555 V CA -0.919 61.411 62.300 0.051 0.000 0.901 555 V CB 2.203 34.038 31.823 0.019 0.000 1.003 555 V HN 0.718 nan 8.190 nan 0.000 0.425 556 Q N 2.545 122.367 119.800 0.037 0.000 2.316 556 Q HA 0.521 4.878 4.340 0.028 0.000 0.264 556 Q C -0.182 175.830 176.000 0.020 0.000 0.987 556 Q CA -0.638 55.182 55.803 0.029 0.000 0.852 556 Q CB 2.745 31.499 28.738 0.026 0.000 1.287 556 Q HN 0.685 nan 8.270 nan 0.000 0.448 557 R N 0.000 120.511 120.500 0.018 0.000 2.786 557 R HA 0.000 4.357 4.340 0.028 0.000 0.208 557 R CA 0.000 56.108 56.100 0.013 0.000 0.921 557 R CB 0.000 30.308 30.300 0.013 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535