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 1zpu_1_D DATA FIRST_RESID 22 DATA SEQUENCE ETHTFNWTTG WDYRNVDGLK SRPVITCNGQ FPWPDITVNK GDRVQIYLTN DATA SEQUENCE GMNNTNTSMH FHGLFQNGTA SMDGVPFLTQ cPIAPGSTML YNFTVDYNVG DATA SEQUENCE TYWYHSHTDG QYEDGMKGLF IIKDDSFPYD YDEELSLSLS EWYHDLVTDL DATA SEQUENCE TKSFMSVYNP TGAEPIPQNL IVNNTMNLTW EVQPDTTYLL RIVNVGGFVS DATA SEQUENCE QYFWIEDHEM TVVEIDGITT EKNVTDMLYI TVAQRYTVLV HTKNDTDKNF DATA SEQUENCE AIMQKFDDTM LDVIPSDLQL NATSYMVYNK TAALPTQNYV DSIDNFLDDF DATA SEQUENCE YLQPYEKEAI YGEPDHVITV DVVMDNLKNG VNYAFFNNIT YTAPKVPTLM DATA SEQUENCE TVLSSGDQAN NSEIYGSNTH TFILEKDEIV EIVLNNQDTG THPFHLHGHA DATA SEQUENCE FQTIQRDRTY DDALGEVPHS FDPDNHPAFP EYPMRRDTLY VRPQSNFVIR DATA SEQUENCE FKADNPGVWF FHCHIEWHLL QGLGLVLVED PFGIQDAHSQ QLSENHLEVc DATA SEQUENCE QSCSVATEGN AAANTLDLTD LTGENVQHA 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 22 E HA 0.000 nan 4.350 nan 0.000 0.291 22 E C 0.000 176.609 176.600 0.015 0.000 1.382 22 E CA 0.000 56.393 56.400 -0.011 0.000 0.976 22 E CB 0.000 29.700 29.700 -0.000 0.000 0.812 23 T N 3.352 117.863 114.554 -0.072 0.000 2.758 23 T HA 0.372 4.722 4.350 -0.000 0.000 0.285 23 T C -0.734 173.858 174.700 -0.180 0.000 0.981 23 T CA -0.479 61.581 62.100 -0.065 0.000 0.965 23 T CB 0.424 69.243 68.868 -0.081 0.000 0.927 23 T HN 0.239 nan 8.240 nan 0.000 0.448 24 H N 2.613 121.585 119.070 -0.165 0.000 2.541 24 H HA 0.348 4.904 4.556 -0.000 0.000 0.316 24 H C -0.203 174.909 175.328 -0.361 0.000 1.043 24 H CA -0.520 55.366 56.048 -0.269 0.000 1.232 24 H CB 1.069 30.757 29.762 -0.123 0.000 1.406 24 H HN 0.476 nan 8.280 nan 0.000 0.469 25 T N 4.840 119.145 114.554 -0.416 0.000 2.797 25 T HA 0.389 4.739 4.350 -0.000 0.000 0.279 25 T C -0.297 174.076 174.700 -0.544 0.000 0.991 25 T CA -0.540 61.373 62.100 -0.312 0.000 0.979 25 T CB 0.622 69.416 68.868 -0.123 0.000 0.943 25 T HN 0.242 nan 8.240 nan 0.000 0.444 26 F N 2.144 121.969 119.950 -0.207 0.000 2.532 26 F HA 0.537 5.064 4.527 -0.000 0.000 0.321 26 F C 0.401 176.021 175.800 -0.300 0.000 1.089 26 F CA -1.126 56.636 58.000 -0.396 0.000 0.926 26 F CB 1.725 40.072 39.000 -1.088 0.000 1.168 26 F HN 0.387 nan 8.300 nan 0.000 0.459 27 N N 2.610 121.321 118.700 0.019 0.000 2.564 27 N HA 0.290 5.030 4.740 -0.000 0.000 0.248 27 N C -2.055 173.659 175.510 0.340 0.000 0.986 27 N CA -0.428 52.701 53.050 0.133 0.000 0.921 27 N CB 0.630 39.177 38.487 0.099 0.000 1.136 27 N HN 0.359 nan 8.380 nan 0.000 0.509 28 W N 2.218 123.644 121.300 0.210 0.000 2.587 28 W HA 0.455 5.115 4.660 -0.000 0.000 0.324 28 W C -0.517 176.091 176.519 0.148 0.000 1.040 28 W CA -0.735 56.690 57.345 0.134 0.000 1.222 28 W CB 1.227 30.799 29.460 0.187 0.000 1.381 28 W HN 0.187 nan 8.180 nan 0.000 0.483 29 T N 1.411 116.130 114.554 0.275 0.000 2.809 29 T HA 0.305 4.655 4.350 -0.000 0.000 0.284 29 T C 0.349 175.144 174.700 0.158 0.000 0.992 29 T CA -0.497 61.727 62.100 0.206 0.000 0.957 29 T CB 1.364 70.315 68.868 0.138 0.000 0.942 29 T HN 0.345 nan 8.240 nan 0.000 0.439 30 T N 1.218 115.917 114.554 0.242 0.000 2.926 30 T HA 0.614 4.964 4.350 -0.000 0.000 0.307 30 T C 0.554 175.301 174.700 0.079 0.000 1.059 30 T CA -0.317 61.917 62.100 0.224 0.000 1.122 30 T CB 0.888 69.876 68.868 0.201 0.000 0.972 30 T HN 0.856 nan 8.240 nan 0.000 0.545 31 G N 0.817 109.608 108.800 -0.015 0.000 2.600 31 G HA2 0.514 4.474 3.960 -0.000 0.000 0.293 31 G HA3 0.514 4.474 3.960 -0.000 0.000 0.293 31 G C -2.267 172.522 174.900 -0.185 0.000 1.408 31 G CA -1.309 43.770 45.100 -0.035 0.000 0.782 31 G HN 0.759 nan 8.290 nan 0.000 0.482 32 W N 0.484 121.835 121.300 0.084 0.000 2.532 32 W HA 0.655 5.315 4.660 -0.000 0.000 0.321 32 W C -0.634 175.899 176.519 0.022 0.000 1.037 32 W CA -0.316 57.052 57.345 0.038 0.000 1.220 32 W CB 2.343 31.808 29.460 0.008 0.000 1.361 32 W HN 0.303 nan 8.180 nan 0.000 0.468 33 D N 1.160 121.702 120.400 0.236 0.000 2.661 33 D HA 0.147 4.787 4.640 -0.000 0.000 0.228 33 D C -1.398 174.941 176.300 0.065 0.000 1.210 33 D CA -0.860 53.241 54.000 0.167 0.000 0.826 33 D CB 2.250 43.132 40.800 0.137 0.000 1.542 33 D HN 0.123 nan 8.370 nan 0.000 0.447 34 Y N 1.173 121.523 120.300 0.082 0.000 2.377 34 Y HA 0.222 4.772 4.550 -0.000 0.000 0.330 34 Y C 0.891 176.793 175.900 0.004 0.000 1.108 34 Y CA 0.287 58.415 58.100 0.046 0.000 1.308 34 Y CB 0.648 39.130 38.460 0.036 0.000 1.216 34 Y HN -0.054 nan 8.280 nan 0.000 0.518 35 R N 1.709 122.250 120.500 0.068 0.000 2.808 35 R HA 0.256 4.596 4.340 -0.000 0.000 0.272 35 R C -1.208 175.119 176.300 0.045 0.000 0.995 35 R CA -1.184 54.922 56.100 0.009 0.000 0.917 35 R CB 1.538 31.732 30.300 -0.177 0.000 1.217 35 R HN 0.506 nan 8.270 nan 0.000 0.471 36 N N 1.607 120.326 118.700 0.032 0.000 2.955 36 N HA 0.108 4.848 4.740 -0.000 0.000 0.242 36 N C 0.574 176.068 175.510 -0.027 0.000 1.123 36 N CA -0.068 53.003 53.050 0.034 0.000 0.949 36 N CB 0.628 39.138 38.487 0.037 0.000 1.214 36 N HN 0.285 nan 8.380 nan 0.000 0.504 37 V N 1.312 121.162 119.914 -0.107 0.000 2.270 37 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 37 V C 1.936 177.857 176.094 -0.289 0.000 1.043 37 V CA 1.419 63.524 62.300 -0.325 0.000 1.014 37 V CB -0.379 30.898 31.823 -0.910 0.000 0.645 37 V HN 0.497 nan 8.190 nan 0.000 0.447 38 D N -0.093 120.187 120.400 -0.200 0.000 2.116 38 D HA -0.109 4.530 4.640 -0.000 0.000 0.193 38 D C 1.855 178.172 176.300 0.029 0.000 0.998 38 D CA 2.058 56.064 54.000 0.010 0.000 0.836 38 D CB -0.145 40.849 40.800 0.323 0.000 0.951 38 D HN 0.558 nan 8.370 nan 0.000 0.449 39 G N -0.624 108.196 108.800 0.033 0.000 2.218 39 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 39 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 39 G C 0.862 175.802 174.900 0.067 0.000 0.994 39 G CA 0.445 45.569 45.100 0.041 0.000 0.637 39 G HN 0.437 nan 8.290 nan 0.000 0.505 40 L N -3.138 118.145 121.223 0.100 0.000 3.298 40 L HA 0.741 5.081 4.340 -0.000 0.000 0.296 40 L C 0.027 176.919 176.870 0.036 0.000 1.237 40 L CA -0.466 54.441 54.840 0.111 0.000 1.038 40 L CB 0.765 42.936 42.059 0.187 0.000 1.423 40 L HN -0.025 nan 8.230 nan 0.000 0.605 41 K N 1.218 121.579 120.400 -0.065 0.000 2.635 41 K HA 0.291 4.611 4.320 -0.000 0.000 0.266 41 K C -1.227 175.359 176.600 -0.024 0.000 1.033 41 K CA 0.068 56.262 56.287 -0.155 0.000 0.919 41 K CB 2.400 34.520 32.500 -0.634 0.000 1.289 41 K HN 0.002 nan 8.250 nan 0.000 0.463 42 S N 3.103 118.831 115.700 0.047 0.000 2.510 42 S HA 0.342 4.812 4.470 -0.000 0.000 0.279 42 S C -0.256 174.492 174.600 0.247 0.000 1.284 42 S CA -0.061 58.227 58.200 0.147 0.000 1.059 42 S CB 0.228 63.507 63.200 0.132 0.000 0.901 42 S HN 0.579 nan 8.310 nan 0.000 0.491 43 R N 4.571 125.215 120.500 0.241 0.000 2.594 43 R HA 0.387 4.727 4.340 -0.000 0.000 0.265 43 R C -3.398 172.778 176.300 -0.206 0.000 1.070 43 R CA -1.850 54.279 56.100 0.048 0.000 0.909 43 R CB 1.455 31.785 30.300 0.050 0.000 1.243 43 R HN 0.332 nan 8.270 nan 0.000 0.455 44 P HA 0.043 nan 4.420 nan 0.000 0.267 44 P C -0.623 176.741 177.300 0.108 0.000 1.205 44 P CA -0.241 62.620 63.100 -0.399 0.000 0.765 44 P CB 0.932 32.342 31.700 -0.482 0.000 0.828 45 V N 1.332 121.332 119.914 0.144 0.000 3.001 45 V HA 0.541 4.661 4.120 -0.000 0.000 0.314 45 V C -0.184 175.918 176.094 0.013 0.000 1.099 45 V CA -1.283 61.077 62.300 0.099 0.000 0.989 45 V CB 1.892 33.514 31.823 -0.334 0.000 1.040 45 V HN 0.229 nan 8.190 nan 0.000 0.434 46 I N 3.487 123.996 120.570 -0.101 0.000 2.379 46 I HA 0.349 4.519 4.170 -0.000 0.000 0.290 46 I C 0.968 177.284 176.117 0.331 0.000 1.063 46 I CA 0.373 61.551 61.300 -0.204 0.000 1.351 46 I CB 1.203 39.046 38.000 -0.262 0.000 1.410 46 I HN 0.983 nan 8.210 nan 0.000 0.505 47 T N 2.481 117.131 114.554 0.161 0.000 2.918 47 T HA 0.342 4.692 4.350 -0.000 0.000 0.283 47 T C -0.334 174.252 174.700 -0.190 0.000 1.001 47 T CA -0.816 61.341 62.100 0.096 0.000 1.041 47 T CB 1.677 70.558 68.868 0.023 0.000 1.028 47 T HN 0.619 nan 8.240 nan 0.000 0.511 48 C N 3.687 122.495 119.300 -0.819 0.000 2.271 48 C HA 0.521 4.981 4.460 -0.000 0.000 0.323 48 C C 0.481 175.133 174.990 -0.563 0.000 1.245 48 C CA -0.426 57.866 59.018 -1.210 0.000 1.548 48 C CB -1.777 24.488 27.740 -2.457 0.000 2.214 48 C HN 0.989 nan 8.230 nan 0.000 0.477 49 N N 3.878 122.418 118.700 -0.267 0.000 2.721 49 N HA -0.192 4.548 4.740 -0.000 0.000 0.249 49 N C 0.980 176.437 175.510 -0.088 0.000 1.072 49 N CA 1.912 54.898 53.050 -0.107 0.000 0.710 49 N CB -1.445 37.002 38.487 -0.066 0.000 0.993 49 N HN 1.785 nan 8.380 nan 0.000 0.547 50 G N -1.663 107.088 108.800 -0.081 0.000 2.179 50 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.260 50 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.260 50 G C -0.153 174.727 174.900 -0.033 0.000 0.977 50 G CA 0.685 45.769 45.100 -0.027 0.000 0.641 50 G HN 0.496 nan 8.290 nan 0.000 0.533 51 Q N -0.752 118.978 119.800 -0.117 0.000 2.235 51 Q HA 0.773 5.112 4.340 -0.000 0.000 0.256 51 Q C -1.073 174.890 176.000 -0.061 0.000 0.951 51 Q CA -0.675 55.067 55.803 -0.100 0.000 0.890 51 Q CB 2.299 30.928 28.738 -0.181 0.000 1.279 51 Q HN 0.449 nan 8.270 nan 0.000 0.444 52 F N 2.236 122.110 119.950 -0.128 0.000 2.574 52 F HA 0.486 5.013 4.527 -0.000 0.000 0.313 52 F C -2.403 173.358 175.800 -0.066 0.000 1.130 52 F CA -1.720 56.232 58.000 -0.080 0.000 0.936 52 F CB 1.503 40.499 39.000 -0.006 0.000 1.219 52 F HN 0.393 nan 8.300 nan 0.000 0.445 53 P HA 0.260 nan 4.420 nan 0.000 0.279 53 P C -1.219 175.766 177.300 -0.525 0.000 1.276 53 P CA -0.313 62.074 63.100 -1.189 0.000 0.801 53 P CB 0.625 31.771 31.700 -0.923 0.000 1.127 54 W N 1.255 122.212 121.300 -0.571 0.000 2.148 54 W HA 0.166 4.826 4.660 -0.000 0.000 0.347 54 W C -1.464 174.851 176.519 -0.339 0.000 1.288 54 W CA -0.597 56.514 57.345 -0.391 0.000 1.252 54 W CB -1.074 28.195 29.460 -0.317 0.000 1.156 54 W HN 0.326 nan 8.180 nan 0.000 0.580 55 P HA 0.048 nan 4.420 nan 0.000 0.272 55 P C -0.748 176.587 177.300 0.058 0.000 1.240 55 P CA 0.006 63.034 63.100 -0.121 0.000 0.791 55 P CB 0.928 32.505 31.700 -0.205 0.000 0.978 56 D N 1.017 121.453 120.400 0.060 0.000 2.192 56 D HA 0.413 5.053 4.640 -0.000 0.000 0.246 56 D C 0.188 176.541 176.300 0.089 0.000 1.042 56 D CA -0.207 53.857 54.000 0.108 0.000 0.847 56 D CB 1.638 42.452 40.800 0.024 0.000 1.186 56 D HN 0.252 nan 8.370 nan 0.000 0.461 57 I N 1.029 121.627 120.570 0.046 0.000 2.359 57 I HA 0.201 4.370 4.170 -0.000 0.000 0.294 57 I C 0.154 176.101 176.117 -0.284 0.000 0.987 57 I CA -0.239 60.963 61.300 -0.163 0.000 1.225 57 I CB 1.558 39.291 38.000 -0.444 0.000 1.366 57 I HN 0.045 nan 8.210 nan 0.000 0.466 58 T N 6.040 120.468 114.554 -0.210 0.000 2.840 58 T HA 0.589 4.939 4.350 -0.000 0.000 0.287 58 T C -0.303 174.227 174.700 -0.283 0.000 0.991 58 T CA -0.566 61.408 62.100 -0.209 0.000 0.964 58 T CB 1.507 70.331 68.868 -0.074 0.000 0.954 58 T HN 0.438 nan 8.240 nan 0.000 0.438 59 V N 1.144 120.864 119.914 -0.322 0.000 3.158 59 V HA 0.769 4.888 4.120 -0.000 0.000 0.311 59 V C -0.819 175.217 176.094 -0.098 0.000 1.181 59 V CA -1.265 60.849 62.300 -0.311 0.000 1.054 59 V CB 2.183 33.745 31.823 -0.435 0.000 1.085 59 V HN 0.626 nan 8.190 nan 0.000 0.446 60 N N 0.779 119.460 118.700 -0.032 0.000 2.472 60 N HA 0.382 5.122 4.740 -0.000 0.000 0.289 60 N C -0.538 174.984 175.510 0.019 0.000 1.156 60 N CA -0.673 52.384 53.050 0.011 0.000 0.940 60 N CB 1.412 39.917 38.487 0.030 0.000 1.200 60 N HN 0.914 nan 8.380 nan 0.000 0.511 61 K N 0.417 120.832 120.400 0.025 0.000 2.511 61 K HA 0.044 4.363 4.320 -0.000 0.000 0.277 61 K C 0.939 177.541 176.600 0.003 0.000 1.025 61 K CA 1.251 57.549 56.287 0.018 0.000 1.112 61 K CB -0.685 31.825 32.500 0.017 0.000 0.859 61 K HN 0.735 nan 8.250 nan 0.000 0.485 62 G N 2.688 111.484 108.800 -0.007 0.000 2.159 62 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.256 62 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.256 62 G C -0.318 174.583 174.900 0.003 0.000 0.977 62 G CA 0.184 45.273 45.100 -0.018 0.000 0.652 62 G HN 0.736 nan 8.290 nan 0.000 0.531 63 D N -0.228 120.183 120.400 0.019 0.000 2.357 63 D HA 0.469 5.109 4.640 -0.000 0.000 0.242 63 D C 0.932 177.238 176.300 0.010 0.000 1.153 63 D CA -0.094 53.927 54.000 0.034 0.000 0.918 63 D CB 0.619 41.450 40.800 0.051 0.000 1.181 63 D HN 0.557 nan 8.370 nan 0.000 0.435 64 R N 0.587 121.088 120.500 0.001 0.000 2.346 64 R HA 0.503 4.843 4.340 -0.000 0.000 0.311 64 R C -1.562 174.658 176.300 -0.133 0.000 0.983 64 R CA -0.604 55.449 56.100 -0.078 0.000 0.880 64 R CB 0.757 31.017 30.300 -0.067 0.000 1.100 64 R HN 0.129 nan 8.270 nan 0.000 0.453 65 V N 5.084 124.766 119.914 -0.386 0.000 2.384 65 V HA 0.294 4.414 4.120 -0.000 0.000 0.287 65 V C -0.485 175.279 176.094 -0.549 0.000 1.020 65 V CA -0.599 61.426 62.300 -0.458 0.000 0.850 65 V CB 1.525 32.956 31.823 -0.653 0.000 0.987 65 V HN 0.819 nan 8.190 nan 0.000 0.436 66 Q N 4.915 124.556 119.800 -0.265 0.000 2.401 66 Q HA 0.580 4.919 4.340 -0.000 0.000 0.260 66 Q C -1.102 174.790 176.000 -0.179 0.000 1.034 66 Q CA -0.211 55.438 55.803 -0.257 0.000 0.737 66 Q CB 2.248 30.859 28.738 -0.211 0.000 1.227 66 Q HN 0.683 nan 8.270 nan 0.000 0.488 67 I N 2.599 123.068 120.570 -0.169 0.000 2.330 67 I HA 0.234 4.404 4.170 -0.000 0.000 0.289 67 I C -0.826 175.220 176.117 -0.118 0.000 1.001 67 I CA -0.778 60.445 61.300 -0.128 0.000 1.193 67 I CB 0.762 38.696 38.000 -0.110 0.000 1.345 67 I HN 0.505 nan 8.210 nan 0.000 0.461 68 Y N 6.850 127.137 120.300 -0.021 0.000 2.556 68 Y HA 0.288 4.838 4.550 -0.000 0.000 0.352 68 Y C 0.149 176.110 175.900 0.101 0.000 1.006 68 Y CA -0.150 57.965 58.100 0.024 0.000 1.277 68 Y CB 0.542 39.004 38.460 0.003 0.000 1.136 68 Y HN 0.400 nan 8.280 nan 0.000 0.523 69 L N 4.183 125.564 121.223 0.263 0.000 2.264 69 L HA 0.421 4.760 4.340 -0.000 0.000 0.289 69 L C -0.462 176.557 176.870 0.248 0.000 1.044 69 L CA -0.138 54.901 54.840 0.332 0.000 0.807 69 L CB 0.888 43.193 42.059 0.409 0.000 1.192 69 L HN 0.547 nan 8.230 nan 0.000 0.425 70 T N 2.665 117.374 114.554 0.259 0.000 2.792 70 T HA 0.198 4.548 4.350 -0.000 0.000 0.280 70 T C -0.081 174.730 174.700 0.184 0.000 0.990 70 T CA -0.572 61.640 62.100 0.186 0.000 0.960 70 T CB 1.103 70.065 68.868 0.157 0.000 0.939 70 T HN 0.397 nan 8.240 nan 0.000 0.439 71 N N 2.164 120.950 118.700 0.144 0.000 2.399 71 N HA 0.252 4.992 4.740 -0.000 0.000 0.259 71 N C 0.977 176.561 175.510 0.123 0.000 1.160 71 N CA -0.316 52.816 53.050 0.135 0.000 0.946 71 N CB 0.578 39.132 38.487 0.112 0.000 1.156 71 N HN 0.861 nan 8.380 nan 0.000 0.489 72 G N 2.901 111.778 108.800 0.129 0.000 3.393 72 G HA2 0.129 4.088 3.960 -0.000 0.000 0.255 72 G HA3 0.129 4.088 3.960 -0.000 0.000 0.255 72 G C 0.420 175.403 174.900 0.138 0.000 1.097 72 G CA -0.245 44.926 45.100 0.120 0.000 0.780 72 G HN 0.466 nan 8.290 nan 0.000 0.540 73 M N 0.162 119.852 119.600 0.149 0.000 2.274 73 M HA 0.235 4.715 4.480 -0.000 0.000 0.344 73 M C 1.196 177.621 176.300 0.209 0.000 1.161 73 M CA -0.371 55.063 55.300 0.225 0.000 1.126 73 M CB 1.416 34.160 32.600 0.239 0.000 1.522 73 M HN -0.031 nan 8.290 nan 0.000 0.461 74 N N 0.933 119.772 118.700 0.230 0.000 2.457 74 N HA -0.075 4.665 4.740 -0.000 0.000 0.180 74 N C 0.634 176.220 175.510 0.126 0.000 1.050 74 N CA 0.969 54.111 53.050 0.153 0.000 0.906 74 N CB 0.278 38.842 38.487 0.129 0.000 0.968 74 N HN 0.709 nan 8.380 nan 0.000 0.445 75 N N -3.015 115.773 118.700 0.147 0.000 1.952 75 N HA 0.014 4.754 4.740 -0.000 0.000 0.231 75 N C -0.704 174.882 175.510 0.126 0.000 1.378 75 N CA 0.040 53.159 53.050 0.116 0.000 0.828 75 N CB 0.430 38.973 38.487 0.094 0.000 1.097 75 N HN -0.148 nan 8.380 nan 0.000 0.476 76 T N 1.093 115.745 114.554 0.164 0.000 2.943 76 T HA 0.440 4.790 4.350 -0.000 0.000 0.284 76 T C -0.051 174.728 174.700 0.131 0.000 1.015 76 T CA -0.586 61.608 62.100 0.157 0.000 1.042 76 T CB 1.564 70.556 68.868 0.206 0.000 1.055 76 T HN -0.022 nan 8.240 nan 0.000 0.500 77 N N 1.062 119.832 118.700 0.117 0.000 2.408 77 N HA 0.582 5.322 4.740 -0.000 0.000 0.260 77 N C -0.057 175.513 175.510 0.099 0.000 1.242 77 N CA -0.305 52.804 53.050 0.099 0.000 0.959 77 N CB 0.708 39.250 38.487 0.092 0.000 1.201 77 N HN 0.701 nan 8.380 nan 0.000 0.511 78 T N -1.534 113.073 114.554 0.087 0.000 2.838 78 T HA 0.794 5.144 4.350 -0.000 0.000 0.292 78 T C -0.634 174.123 174.700 0.094 0.000 1.113 78 T CA -0.816 61.339 62.100 0.092 0.000 1.008 78 T CB 1.443 70.375 68.868 0.107 0.000 1.259 78 T HN 0.586 nan 8.240 nan 0.000 0.520 79 S N -0.098 115.666 115.700 0.108 0.000 2.611 79 S HA 0.760 5.229 4.470 -0.000 0.000 0.268 79 S C -1.425 173.222 174.600 0.078 0.000 1.156 79 S CA -1.036 57.250 58.200 0.144 0.000 0.817 79 S CB 1.687 64.956 63.200 0.115 0.000 1.122 79 S HN 0.919 nan 8.310 nan 0.000 0.466 80 M N 2.159 121.757 119.600 -0.003 0.000 2.271 80 M HA 0.528 5.008 4.480 -0.000 0.000 0.285 80 M C -1.892 174.071 176.300 -0.562 0.000 1.059 80 M CA -0.199 54.889 55.300 -0.354 0.000 0.940 80 M CB 1.816 34.137 32.600 -0.465 0.000 1.636 80 M HN 1.070 nan 8.290 nan 0.000 0.460 81 H N 3.534 122.191 119.070 -0.687 0.000 2.524 81 H HA 0.568 5.124 4.556 -0.000 0.000 0.353 81 H C -2.008 172.763 175.328 -0.928 0.000 1.136 81 H CA -0.521 55.163 56.048 -0.607 0.000 1.193 81 H CB 1.016 30.638 29.762 -0.234 0.000 1.558 81 H HN 0.561 nan 8.280 nan 0.000 0.515 82 F N 4.035 123.320 119.950 -1.109 0.000 2.303 82 F HA 0.168 4.695 4.527 -0.000 0.000 0.368 82 F C 0.327 175.402 175.800 -1.209 0.000 1.105 82 F CA -0.698 56.699 58.000 -1.005 0.000 1.153 82 F CB 0.065 38.508 39.000 -0.928 0.000 1.362 82 F HN 0.651 nan 8.300 nan 0.000 0.511 83 H N 2.044 120.480 119.070 -1.057 0.000 3.046 83 H HA 0.394 4.950 4.556 -0.000 0.000 0.303 83 H C 1.182 176.371 175.328 -0.231 0.000 1.002 83 H CA 1.239 56.877 56.048 -0.684 0.000 1.460 83 H CB 0.391 29.661 29.762 -0.820 0.000 1.493 83 H HN 0.883 nan 8.280 nan 0.000 0.559 84 G N 3.630 112.315 108.800 -0.192 0.000 2.254 84 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.225 84 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.225 84 G C -0.283 174.382 174.900 -0.392 0.000 1.003 84 G CA -0.032 45.089 45.100 0.035 0.000 0.622 84 G HN 0.599 nan 8.290 nan 0.000 0.507 85 L N 1.351 122.217 121.223 -0.594 0.000 2.453 85 L HA 0.543 4.882 4.340 -0.000 0.000 0.272 85 L C 1.535 178.137 176.870 -0.448 0.000 1.182 85 L CA 0.096 54.483 54.840 -0.754 0.000 0.858 85 L CB 0.107 41.674 42.059 -0.820 0.000 1.120 85 L HN 0.067 nan 8.230 nan 0.000 0.474 86 F N 0.394 120.151 119.950 -0.322 0.000 2.558 86 F HA -0.008 4.519 4.527 -0.000 0.000 0.298 86 F C 1.246 176.893 175.800 -0.256 0.000 1.119 86 F CA -0.053 57.731 58.000 -0.361 0.000 1.451 86 F CB -0.457 38.344 39.000 -0.331 0.000 1.091 86 F HN 0.502 nan 8.300 nan 0.000 0.563 87 Q N 0.468 120.271 119.800 0.005 0.000 2.435 87 Q HA -0.277 4.063 4.340 -0.000 0.000 0.286 87 Q C -0.273 175.847 176.000 0.199 0.000 1.229 87 Q CA 0.411 56.265 55.803 0.085 0.000 0.884 87 Q CB -2.461 26.385 28.738 0.179 0.000 1.245 87 Q HN 0.383 nan 8.270 nan 0.000 0.488 88 N N 0.550 119.330 118.700 0.133 0.000 2.429 88 N HA 0.180 4.920 4.740 -0.000 0.000 0.271 88 N C 1.304 176.889 175.510 0.126 0.000 1.272 88 N CA 1.870 54.950 53.050 0.049 0.000 0.921 88 N CB 0.141 38.464 38.487 -0.274 0.000 1.128 88 N HN 0.533 nan 8.380 nan 0.000 0.481 89 G N 2.358 111.228 108.800 0.118 0.000 2.199 89 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.254 89 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.254 89 G C 0.270 175.223 174.900 0.089 0.000 0.982 89 G CA 0.691 45.853 45.100 0.103 0.000 0.632 89 G HN 0.864 nan 8.290 nan 0.000 0.529 90 T N -3.103 111.515 114.554 0.106 0.000 3.741 90 T HA 0.729 5.079 4.350 -0.000 0.000 0.242 90 T C 1.496 176.242 174.700 0.077 0.000 1.042 90 T CA 0.860 63.008 62.100 0.079 0.000 1.278 90 T CB 0.796 69.730 68.868 0.109 0.000 0.994 90 T HN 1.365 nan 8.240 nan 0.000 0.594 91 A N 1.605 124.442 122.820 0.029 0.000 1.986 91 A HA -0.058 4.262 4.320 -0.000 0.000 0.220 91 A C 2.515 180.080 177.584 -0.032 0.000 1.171 91 A CA 1.912 53.911 52.037 -0.062 0.000 0.640 91 A CB -1.043 17.772 19.000 -0.308 0.000 0.811 91 A HN 0.731 nan 8.150 nan 0.000 0.451 92 S N -1.085 114.600 115.700 -0.024 0.000 2.462 92 S HA -0.125 4.345 4.470 -0.000 0.000 0.243 92 S C 1.502 176.216 174.600 0.190 0.000 1.003 92 S CA 1.625 59.834 58.200 0.016 0.000 0.970 92 S CB -0.399 62.726 63.200 -0.124 0.000 0.762 92 S HN 0.453 nan 8.310 nan 0.000 0.510 93 M N 0.566 120.289 119.600 0.205 0.000 2.371 93 M HA 0.248 4.727 4.480 -0.000 0.000 0.246 93 M C 1.098 177.577 176.300 0.299 0.000 1.103 93 M CA 0.229 55.749 55.300 0.367 0.000 1.010 93 M CB -0.681 32.106 32.600 0.312 0.000 1.457 93 M HN 0.184 nan 8.290 nan 0.000 0.486 94 D N 1.402 121.948 120.400 0.244 0.000 2.264 94 D HA -0.005 4.635 4.640 -0.000 0.000 0.208 94 D C 1.363 177.868 176.300 0.343 0.000 0.966 94 D CA 1.562 55.749 54.000 0.312 0.000 0.864 94 D CB 0.185 41.194 40.800 0.349 0.000 0.933 94 D HN 0.556 nan 8.370 nan 0.000 0.499 95 G N -0.166 108.788 108.800 0.258 0.000 2.198 95 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.257 95 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.257 95 G C -0.043 174.872 174.900 0.025 0.000 1.042 95 G CA 0.363 45.580 45.100 0.194 0.000 0.791 95 G HN 0.302 nan 8.290 nan 0.000 0.502 96 V N 1.983 121.817 119.914 -0.135 0.000 2.328 96 V HA 0.436 4.556 4.120 -0.000 0.000 0.278 96 V C -1.450 174.465 176.094 -0.299 0.000 1.021 96 V CA -1.834 60.215 62.300 -0.418 0.000 0.838 96 V CB 1.679 33.077 31.823 -0.708 0.000 0.999 96 V HN 0.234 nan 8.190 nan 0.000 0.447 97 P HA 0.157 nan 4.420 nan 0.000 0.265 97 P C 0.304 177.503 177.300 -0.168 0.000 1.193 97 P CA 0.358 63.307 63.100 -0.253 0.000 0.765 97 P CB 0.209 31.819 31.700 -0.150 0.000 0.823 98 F N -0.731 119.163 119.950 -0.093 0.000 2.871 98 F HA -0.267 4.260 4.527 -0.000 0.000 0.326 98 F C 1.234 176.958 175.800 -0.126 0.000 0.675 98 F CA 0.430 58.387 58.000 -0.071 0.000 1.188 98 F CB -1.728 37.267 39.000 -0.008 0.000 1.567 98 F HN 0.270 nan 8.300 nan 0.000 0.325 99 L N -2.620 118.517 121.223 -0.142 0.000 2.586 99 L HA 0.126 4.466 4.340 -0.000 0.000 0.204 99 L C 1.866 178.626 176.870 -0.183 0.000 1.053 99 L CA 1.429 56.138 54.840 -0.218 0.000 0.856 99 L CB -0.252 41.542 42.059 -0.443 0.000 1.192 99 L HN 0.102 nan 8.230 nan 0.000 0.484 100 T N -0.843 113.602 114.554 -0.182 0.000 2.955 100 T HA 0.157 4.507 4.350 -0.000 0.000 0.251 100 T C -0.038 174.632 174.700 -0.051 0.000 1.002 100 T CA 0.044 62.072 62.100 -0.120 0.000 0.970 100 T CB 0.669 69.486 68.868 -0.086 0.000 1.091 100 T HN 0.377 nan 8.240 nan 0.000 0.495 101 Q N -0.254 119.486 119.800 -0.099 0.000 2.687 101 Q HA 0.559 4.899 4.340 -0.000 0.000 0.295 101 Q C -0.974 174.868 176.000 -0.264 0.000 0.920 101 Q CA -1.253 54.490 55.803 -0.100 0.000 0.766 101 Q CB 0.529 29.237 28.738 -0.049 0.000 1.467 101 Q HN 0.313 nan 8.270 nan 0.000 0.415 102 c N -1.496 116.933 118.600 -0.285 0.000 2.362 102 c HA 0.828 5.398 4.570 -0.000 0.000 0.363 102 c C -2.238 171.640 174.090 -0.354 0.000 1.220 102 c CA -1.791 54.252 56.329 -0.477 0.000 2.379 102 c CB 0.032 42.351 42.510 -0.317 0.000 2.351 102 c HN 0.660 nan 8.230 nan 0.000 0.582 103 P HA 0.301 nan 4.420 nan 0.000 0.272 103 P C -0.581 176.670 177.300 -0.082 0.000 1.223 103 P CA -0.052 62.951 63.100 -0.162 0.000 0.784 103 P CB 0.256 31.909 31.700 -0.078 0.000 0.923 104 I N 1.366 121.920 120.570 -0.027 0.000 2.363 104 I HA 0.231 4.400 4.170 -0.000 0.000 0.292 104 I C 0.924 177.058 176.117 0.029 0.000 1.075 104 I CA -0.297 61.000 61.300 -0.005 0.000 1.333 104 I CB 0.190 38.206 38.000 0.028 0.000 1.415 104 I HN 0.321 nan 8.210 nan 0.000 0.502 105 A N 8.850 131.683 122.820 0.023 0.000 2.351 105 A HA 0.471 4.791 4.320 -0.000 0.000 0.257 105 A C -2.308 175.312 177.584 0.059 0.000 1.087 105 A CA -1.418 50.645 52.037 0.044 0.000 0.798 105 A CB -0.279 18.742 19.000 0.036 0.000 1.033 105 A HN 0.432 nan 8.150 nan 0.000 0.488 106 P HA 0.136 nan 4.420 nan 0.000 0.257 106 P C 1.080 178.421 177.300 0.069 0.000 1.162 106 P CA 2.273 65.422 63.100 0.082 0.000 0.762 106 P CB 0.362 32.114 31.700 0.086 0.000 0.753 107 G N 1.983 110.827 108.800 0.073 0.000 2.258 107 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.233 107 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.233 107 G C 0.534 175.468 174.900 0.056 0.000 1.006 107 G CA -0.022 45.115 45.100 0.062 0.000 0.620 107 G HN 0.576 nan 8.290 nan 0.000 0.511 108 S N 0.766 116.497 115.700 0.051 0.000 2.603 108 S HA 0.615 5.084 4.470 -0.000 0.000 0.268 108 S C 0.141 174.772 174.600 0.051 0.000 1.317 108 S CA 0.659 58.882 58.200 0.038 0.000 1.012 108 S CB 1.400 64.610 63.200 0.017 0.000 0.926 108 S HN 0.517 nan 8.310 nan 0.000 0.539 109 T N 2.610 117.189 114.554 0.043 0.000 2.847 109 T HA 0.430 4.780 4.350 -0.000 0.000 0.291 109 T C -0.458 174.247 174.700 0.009 0.000 0.998 109 T CA -0.434 61.707 62.100 0.069 0.000 0.967 109 T CB 0.911 69.846 68.868 0.112 0.000 0.954 109 T HN 0.585 nan 8.240 nan 0.000 0.441 110 M N 4.481 124.043 119.600 -0.063 0.000 2.300 110 M HA 0.677 5.157 4.480 -0.000 0.000 0.348 110 M C -1.265 174.849 176.300 -0.310 0.000 1.151 110 M CA -0.992 54.137 55.300 -0.285 0.000 1.046 110 M CB 0.868 33.163 32.600 -0.509 0.000 1.647 110 M HN 0.507 nan 8.290 nan 0.000 0.451 111 L N 6.250 127.268 121.223 -0.342 0.000 2.257 111 L HA 0.437 4.777 4.340 -0.000 0.000 0.290 111 L C -1.933 174.760 176.870 -0.296 0.000 1.044 111 L CA 0.094 54.697 54.840 -0.395 0.000 0.810 111 L CB 0.373 42.189 42.059 -0.405 0.000 1.193 111 L HN 0.675 nan 8.230 nan 0.000 0.425 112 Y N 4.749 125.029 120.300 -0.033 0.000 2.404 112 Y HA 0.387 4.937 4.550 -0.000 0.000 0.344 112 Y C 0.426 176.297 175.900 -0.048 0.000 0.970 112 Y CA -0.259 57.918 58.100 0.127 0.000 1.180 112 Y CB 0.759 39.409 38.460 0.316 0.000 1.138 112 Y HN 0.606 nan 8.280 nan 0.000 0.510 113 N N 5.991 124.776 118.700 0.142 0.000 2.573 113 N HA 0.284 5.024 4.740 -0.000 0.000 0.262 113 N C -1.784 173.758 175.510 0.054 0.000 1.029 113 N CA -0.452 52.565 53.050 -0.056 0.000 0.882 113 N CB 0.481 38.930 38.487 -0.063 0.000 1.204 113 N HN 0.506 nan 8.380 nan 0.000 0.519 114 F N -0.581 119.325 119.950 -0.072 0.000 2.645 114 F HA 0.665 5.191 4.527 -0.000 0.000 0.310 114 F C -0.347 175.412 175.800 -0.069 0.000 1.102 114 F CA -0.890 57.065 58.000 -0.076 0.000 0.952 114 F CB 0.600 39.522 39.000 -0.130 0.000 1.326 114 F HN -0.024 nan 8.300 nan 0.000 0.456 115 T N -0.013 114.661 114.554 0.200 0.000 2.923 115 T HA 0.632 4.982 4.350 -0.000 0.000 0.281 115 T C -0.641 174.179 174.700 0.200 0.000 0.995 115 T CA -0.786 61.387 62.100 0.121 0.000 0.985 115 T CB 1.957 70.869 68.868 0.073 0.000 1.114 115 T HN 0.599 nan 8.240 nan 0.000 0.548 116 V N 1.715 121.691 119.914 0.105 0.000 2.361 116 V HA 0.199 4.319 4.120 -0.000 0.000 0.252 116 V C -0.034 176.056 176.094 -0.007 0.000 0.986 116 V CA -0.374 61.967 62.300 0.069 0.000 1.033 116 V CB 0.462 32.350 31.823 0.109 0.000 1.282 116 V HN 0.857 nan 8.190 nan 0.000 0.514 117 D N 0.693 121.059 120.400 -0.057 0.000 2.333 117 D HA 0.026 4.666 4.640 -0.000 0.000 0.208 117 D C 0.890 176.949 176.300 -0.402 0.000 0.984 117 D CA 1.095 54.917 54.000 -0.297 0.000 0.873 117 D CB 0.581 41.064 40.800 -0.528 0.000 0.935 117 D HN 0.644 nan 8.370 nan 0.000 0.521 118 Y N -0.045 120.288 120.300 0.055 0.000 2.527 118 Y HA 0.272 4.822 4.550 -0.000 0.000 0.247 118 Y C 0.000 175.941 175.900 0.068 0.000 1.138 118 Y CA -0.537 57.644 58.100 0.135 0.000 1.228 118 Y CB 0.454 39.080 38.460 0.277 0.000 1.252 118 Y HN -0.249 nan 8.280 nan 0.000 0.531 119 N N -0.282 118.419 118.700 0.002 0.000 2.269 119 N HA 0.659 5.398 4.740 -0.000 0.000 0.304 119 N C -1.626 173.906 175.510 0.037 0.000 1.072 119 N CA -0.556 52.410 53.050 -0.140 0.000 0.802 119 N CB 2.824 40.940 38.487 -0.619 0.000 1.348 119 N HN -0.248 nan 8.380 nan 0.000 0.484 120 V N 0.787 120.816 119.914 0.192 0.000 2.841 120 V HA 0.912 5.032 4.120 -0.000 0.000 0.310 120 V C 0.507 176.772 176.094 0.286 0.000 1.090 120 V CA 0.173 62.599 62.300 0.211 0.000 0.930 120 V CB 1.315 33.220 31.823 0.137 0.000 1.014 120 V HN 0.962 nan 8.190 nan 0.000 0.425 121 G N 3.964 112.883 108.800 0.198 0.000 2.443 121 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.209 121 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.209 121 G C -0.220 174.637 174.900 -0.071 0.000 1.176 121 G CA -0.144 44.952 45.100 -0.007 0.000 1.074 121 G HN 0.818 nan 8.290 nan 0.000 0.577 122 T N 1.487 115.825 114.554 -0.361 0.000 2.744 122 T HA 0.684 5.033 4.350 -0.000 0.000 0.291 122 T C -0.847 173.518 174.700 -0.559 0.000 0.957 122 T CA 0.336 62.253 62.100 -0.305 0.000 1.002 122 T CB 0.709 69.415 68.868 -0.269 0.000 0.919 122 T HN 0.498 nan 8.240 nan 0.000 0.468 123 Y N 1.215 121.590 120.300 0.124 0.000 2.698 123 Y HA 0.778 5.327 4.550 -0.000 0.000 0.332 123 Y C -0.526 175.581 175.900 0.345 0.000 1.119 123 Y CA -1.239 56.982 58.100 0.201 0.000 1.109 123 Y CB 1.584 40.114 38.460 0.118 0.000 1.308 123 Y HN 0.691 nan 8.280 nan 0.000 0.499 124 W N 0.541 121.938 121.300 0.163 0.000 3.042 124 W HA 0.616 5.276 4.660 -0.000 0.000 0.342 124 W C -2.343 174.215 176.519 0.065 0.000 1.240 124 W CA -1.953 55.431 57.345 0.065 0.000 1.166 124 W CB 0.345 29.699 29.460 -0.176 0.000 1.469 124 W HN 0.600 nan 8.180 nan 0.000 0.579 125 Y N 0.566 120.792 120.300 -0.122 0.000 2.485 125 Y HA 0.779 5.329 4.550 -0.000 0.000 0.345 125 Y C -0.802 174.756 175.900 -0.569 0.000 0.998 125 Y CA -1.219 56.532 58.100 -0.581 0.000 1.059 125 Y CB 1.592 39.740 38.460 -0.521 0.000 1.234 125 Y HN 0.677 nan 8.280 nan 0.000 0.461 126 H N -0.870 117.774 119.070 -0.711 0.000 3.037 126 H HA 0.544 5.100 4.556 -0.000 0.000 0.355 126 H C -1.068 174.041 175.328 -0.366 0.000 1.263 126 H CA -1.158 54.512 56.048 -0.629 0.000 1.129 126 H CB 1.138 30.305 29.762 -0.992 0.000 1.861 126 H HN 0.768 nan 8.280 nan 0.000 0.546 127 S N -0.029 115.608 115.700 -0.105 0.000 2.560 127 S HA -0.028 4.441 4.470 -0.000 0.000 0.284 127 S C 0.095 174.796 174.600 0.168 0.000 1.327 127 S CA -0.240 57.953 58.200 -0.011 0.000 1.055 127 S CB 0.049 63.250 63.200 0.001 0.000 0.868 127 S HN 0.833 nan 8.310 nan 0.000 0.506 128 H N 3.129 122.239 119.070 0.066 0.000 2.528 128 H HA 0.295 4.851 4.556 -0.000 0.000 0.282 128 H C 0.754 176.133 175.328 0.085 0.000 1.097 128 H CA 0.069 56.188 56.048 0.118 0.000 1.121 128 H CB -0.206 29.590 29.762 0.056 0.000 1.590 128 H HN 0.623 nan 8.280 nan 0.000 0.553 129 T N -0.272 114.401 114.554 0.198 0.000 4.022 129 T HA -0.006 4.344 4.350 -0.000 0.000 0.347 129 T C 1.254 176.024 174.700 0.116 0.000 1.227 129 T CA -0.258 61.934 62.100 0.153 0.000 0.898 129 T CB 0.556 69.493 68.868 0.116 0.000 2.033 129 T HN 0.225 nan 8.240 nan 0.000 0.525 130 D N 0.878 121.326 120.400 0.081 0.000 2.049 130 D HA 0.002 4.642 4.640 -0.000 0.000 0.233 130 D C 1.869 178.127 176.300 -0.071 0.000 0.994 130 D CA 1.272 55.297 54.000 0.043 0.000 0.925 130 D CB -0.639 40.198 40.800 0.060 0.000 1.146 130 D HN 0.629 nan 8.370 nan 0.000 0.472 131 G N -0.589 108.133 108.800 -0.130 0.000 3.192 131 G HA2 -0.021 3.938 3.960 -0.000 0.000 0.239 131 G HA3 -0.021 3.938 3.960 -0.000 0.000 0.239 131 G C 1.223 175.959 174.900 -0.273 0.000 1.084 131 G CA -0.105 44.795 45.100 -0.333 0.000 0.784 131 G HN 0.173 nan 8.290 nan 0.000 0.540 132 Q N -0.069 119.672 119.800 -0.098 0.000 2.146 132 Q HA -0.366 3.974 4.340 -0.000 0.000 0.217 132 Q C 2.129 178.108 176.000 -0.034 0.000 1.023 132 Q CA 2.661 58.446 55.803 -0.030 0.000 0.903 132 Q CB -0.372 28.375 28.738 0.015 0.000 0.990 132 Q HN 0.782 nan 8.270 nan 0.000 0.413 133 Y N -0.064 120.181 120.300 -0.092 0.000 2.274 133 Y HA -0.104 4.446 4.550 -0.000 0.000 0.290 133 Y C 1.731 177.614 175.900 -0.028 0.000 1.145 133 Y CA 1.389 59.440 58.100 -0.081 0.000 1.203 133 Y CB -0.530 37.897 38.460 -0.055 0.000 0.984 133 Y HN 0.040 nan 8.280 nan 0.000 0.533 134 E N 0.679 120.691 120.200 -0.314 0.000 2.160 134 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 134 E C 0.724 177.334 176.600 0.016 0.000 0.991 134 E CA 1.406 57.700 56.400 -0.176 0.000 0.810 134 E CB -0.294 29.151 29.700 -0.425 0.000 0.742 134 E HN 0.638 nan 8.360 nan 0.000 0.466 135 D N -1.043 119.360 120.400 0.004 0.000 2.323 135 D HA 0.100 4.739 4.640 -0.000 0.000 0.239 135 D C 1.085 177.530 176.300 0.242 0.000 1.129 135 D CA 0.750 54.805 54.000 0.091 0.000 0.865 135 D CB 0.471 41.348 40.800 0.130 0.000 0.913 135 D HN 0.337 nan 8.370 nan 0.000 0.517 136 G N 0.723 109.727 108.800 0.341 0.000 2.255 136 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.196 136 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.196 136 G C 0.466 175.479 174.900 0.188 0.000 0.998 136 G CA -0.070 45.345 45.100 0.525 0.000 0.656 136 G HN 0.336 nan 8.290 nan 0.000 0.490 137 M N 2.130 121.670 119.600 -0.100 0.000 3.011 137 M HA 0.456 4.936 4.480 -0.000 0.000 0.292 137 M C 0.141 176.082 176.300 -0.598 0.000 1.440 137 M CA 0.168 55.047 55.300 -0.700 0.000 1.552 137 M CB -0.476 31.788 32.600 -0.560 0.000 1.187 137 M HN 0.354 nan 8.290 nan 0.000 0.520 138 K N 2.214 122.234 120.400 -0.632 0.000 2.578 138 K HA 0.839 5.159 4.320 -0.000 0.000 0.269 138 K C -1.340 174.897 176.600 -0.605 0.000 0.941 138 K CA -1.097 54.885 56.287 -0.509 0.000 0.847 138 K CB 1.481 33.923 32.500 -0.097 0.000 1.397 138 K HN 0.444 nan 8.250 nan 0.000 0.422 139 G N 1.573 109.801 108.800 -0.953 0.000 2.623 139 G HA2 0.456 4.416 3.960 -0.000 0.000 0.290 139 G HA3 0.456 4.416 3.960 -0.000 0.000 0.290 139 G C -1.449 173.243 174.900 -0.347 0.000 1.437 139 G CA -1.191 43.515 45.100 -0.657 0.000 0.798 139 G HN 0.403 nan 8.290 nan 0.000 0.488 140 L N 0.004 121.213 121.223 -0.024 0.000 2.375 140 L HA 0.567 4.906 4.340 -0.000 0.000 0.271 140 L C -0.837 176.249 176.870 0.359 0.000 1.107 140 L CA -0.571 54.357 54.840 0.146 0.000 0.806 140 L CB 1.351 43.421 42.059 0.019 0.000 1.146 140 L HN 0.438 nan 8.230 nan 0.000 0.447 141 F N 3.442 123.552 119.950 0.267 0.000 2.500 141 F HA 0.529 5.055 4.527 -0.000 0.000 0.349 141 F C -0.514 175.416 175.800 0.216 0.000 1.127 141 F CA -0.382 57.786 58.000 0.280 0.000 0.998 141 F CB 0.924 40.136 39.000 0.353 0.000 1.237 141 F HN 0.166 nan 8.300 nan 0.000 0.439 142 I N 6.918 127.533 120.570 0.075 0.000 2.378 142 I HA 0.411 4.581 4.170 -0.000 0.000 0.291 142 I C -0.696 175.455 176.117 0.056 0.000 0.992 142 I CA -0.535 60.826 61.300 0.101 0.000 1.154 142 I CB 1.687 39.684 38.000 -0.005 0.000 1.315 142 I HN 0.389 nan 8.210 nan 0.000 0.448 143 I N 6.632 127.313 120.570 0.186 0.000 2.362 143 I HA 0.338 4.508 4.170 -0.000 0.000 0.289 143 I C -0.139 176.022 176.117 0.072 0.000 0.994 143 I CA -0.646 60.733 61.300 0.133 0.000 1.158 143 I CB 1.285 39.415 38.000 0.218 0.000 1.315 143 I HN 0.431 nan 8.210 nan 0.000 0.451 144 K N 5.361 125.778 120.400 0.029 0.000 2.118 144 K HA 0.318 4.638 4.320 -0.000 0.000 0.267 144 K C -0.759 175.865 176.600 0.040 0.000 0.991 144 K CA -0.535 55.763 56.287 0.019 0.000 0.916 144 K CB 0.950 33.457 32.500 0.012 0.000 1.041 144 K HN 0.636 nan 8.250 nan 0.000 0.455 145 D N 1.393 121.825 120.400 0.053 0.000 2.619 145 D HA 0.132 4.771 4.640 -0.000 0.000 0.241 145 D C -0.563 175.783 176.300 0.077 0.000 1.087 145 D CA -0.513 53.527 54.000 0.067 0.000 0.851 145 D CB 1.734 42.584 40.800 0.082 0.000 1.474 145 D HN 0.330 nan 8.370 nan 0.000 0.478 146 D N 0.480 120.912 120.400 0.054 0.000 2.264 146 D HA -0.082 4.557 4.640 -0.000 0.000 0.208 146 D C 0.975 177.303 176.300 0.046 0.000 0.966 146 D CA 1.090 55.117 54.000 0.044 0.000 0.864 146 D CB 0.067 40.881 40.800 0.024 0.000 0.933 146 D HN 0.416 nan 8.370 nan 0.000 0.499 147 S N -0.119 115.610 115.700 0.049 0.000 2.506 147 S HA 0.179 4.649 4.470 -0.000 0.000 0.245 147 S C 0.076 174.666 174.600 -0.016 0.000 1.088 147 S CA -0.813 57.393 58.200 0.010 0.000 1.099 147 S CB -0.629 62.573 63.200 0.003 0.000 0.805 147 S HN 0.074 nan 8.310 nan 0.000 0.461 148 F N 4.845 124.730 119.950 -0.108 0.000 2.506 148 F HA 0.324 4.851 4.527 -0.000 0.000 0.371 148 F C -1.136 174.502 175.800 -0.272 0.000 1.078 148 F CA -2.192 55.707 58.000 -0.168 0.000 1.195 148 F CB 0.829 39.816 39.000 -0.022 0.000 1.099 148 F HN 0.071 nan 8.300 nan 0.000 0.548 149 P HA -0.129 nan 4.420 nan 0.000 0.223 149 P C -0.673 176.138 177.300 -0.814 0.000 1.151 149 P CA 1.282 63.726 63.100 -1.093 0.000 0.787 149 P CB -0.012 30.605 31.700 -1.805 0.000 0.788 150 Y N -0.073 119.841 120.300 -0.643 0.000 2.457 150 Y HA 0.386 4.936 4.550 -0.000 0.000 0.333 150 Y C 0.651 176.634 175.900 0.138 0.000 1.119 150 Y CA -1.541 56.456 58.100 -0.171 0.000 1.143 150 Y CB 0.802 39.203 38.460 -0.099 0.000 1.230 150 Y HN -0.281 nan 8.280 nan 0.000 0.469 151 D N 1.303 121.863 120.400 0.268 0.000 2.210 151 D HA 0.278 4.918 4.640 -0.000 0.000 0.249 151 D C -1.073 175.372 176.300 0.241 0.000 1.062 151 D CA 0.097 54.166 54.000 0.115 0.000 0.891 151 D CB 1.018 41.844 40.800 0.044 0.000 1.186 151 D HN 0.481 nan 8.370 nan 0.000 0.432 152 Y N -1.604 118.775 120.300 0.131 0.000 2.581 152 Y HA 0.396 4.946 4.550 -0.000 0.000 0.337 152 Y C -0.000 175.914 175.900 0.024 0.000 1.108 152 Y CA -0.945 57.209 58.100 0.090 0.000 1.033 152 Y CB 1.017 39.546 38.460 0.115 0.000 1.318 152 Y HN 0.036 nan 8.280 nan 0.000 0.459 153 D N 0.473 120.951 120.400 0.130 0.000 2.201 153 D HA 0.051 4.691 4.640 -0.000 0.000 0.209 153 D C -0.118 176.188 176.300 0.010 0.000 0.961 153 D CA 1.176 55.176 54.000 -0.000 0.000 0.861 153 D CB 0.612 41.363 40.800 -0.082 0.000 0.997 153 D HN 0.632 nan 8.370 nan 0.000 0.486 154 E N 0.388 120.583 120.200 -0.007 0.000 2.416 154 E HA 0.384 4.734 4.350 -0.000 0.000 0.273 154 E C -0.593 176.082 176.600 0.125 0.000 0.935 154 E CA -0.523 55.873 56.400 -0.008 0.000 0.784 154 E CB 2.678 32.207 29.700 -0.285 0.000 1.301 154 E HN 0.155 nan 8.360 nan 0.000 0.454 155 E N 1.085 121.364 120.200 0.132 0.000 2.356 155 E HA 0.738 5.088 4.350 -0.000 0.000 0.275 155 E C -0.680 175.940 176.600 0.034 0.000 0.904 155 E CA -0.901 55.513 56.400 0.024 0.000 0.757 155 E CB 2.157 31.788 29.700 -0.115 0.000 1.232 155 E HN 0.448 nan 8.360 nan 0.000 0.442 156 L N -1.641 119.547 121.223 -0.059 0.000 2.801 156 L HA 0.815 5.155 4.340 -0.000 0.000 0.264 156 L C -1.329 175.401 176.870 -0.234 0.000 1.086 156 L CA -0.831 53.927 54.840 -0.137 0.000 0.920 156 L CB 2.069 44.020 42.059 -0.180 0.000 1.529 156 L HN 0.558 nan 8.230 nan 0.000 0.399 157 S N 0.284 115.825 115.700 -0.266 0.000 2.632 157 S HA 0.844 5.314 4.470 -0.000 0.000 0.289 157 S C -1.006 173.379 174.600 -0.359 0.000 1.115 157 S CA -0.702 57.317 58.200 -0.301 0.000 0.889 157 S CB 1.927 64.982 63.200 -0.242 0.000 1.116 157 S HN 0.553 nan 8.310 nan 0.000 0.486 158 L N 1.527 122.515 121.223 -0.390 0.000 2.409 158 L HA 0.497 4.836 4.340 -0.000 0.000 0.272 158 L C -0.625 176.015 176.870 -0.383 0.000 0.980 158 L CA -0.509 54.097 54.840 -0.388 0.000 0.826 158 L CB 2.159 43.958 42.059 -0.434 0.000 1.268 158 L HN 0.534 nan 8.230 nan 0.000 0.407 159 S N 4.591 120.091 115.700 -0.334 0.000 2.466 159 S HA 0.490 4.960 4.470 -0.000 0.000 0.313 159 S C -0.034 174.372 174.600 -0.323 0.000 1.078 159 S CA -0.596 57.395 58.200 -0.348 0.000 1.115 159 S CB 0.040 63.056 63.200 -0.307 0.000 1.006 159 S HN 0.328 nan 8.310 nan 0.000 0.487 160 L N 2.640 123.647 121.223 -0.360 0.000 2.397 160 L HA 0.640 4.980 4.340 -0.000 0.000 0.271 160 L C 0.623 177.323 176.870 -0.284 0.000 1.148 160 L CA -0.248 54.408 54.840 -0.307 0.000 0.825 160 L CB 0.844 42.707 42.059 -0.328 0.000 1.117 160 L HN 0.571 nan 8.230 nan 0.000 0.456 161 S N 0.747 116.320 115.700 -0.211 0.000 2.611 161 S HA 0.355 4.825 4.470 -0.000 0.000 0.268 161 S C -1.467 173.077 174.600 -0.094 0.000 1.156 161 S CA -0.869 57.254 58.200 -0.130 0.000 0.817 161 S CB 1.799 64.981 63.200 -0.030 0.000 1.122 161 S HN 0.719 nan 8.310 nan 0.000 0.466 162 E N 1.750 121.943 120.200 -0.012 0.000 2.232 162 E HA 0.334 4.684 4.350 -0.000 0.000 0.265 162 E C -1.257 175.517 176.600 0.289 0.000 1.001 162 E CA -0.723 55.694 56.400 0.029 0.000 0.870 162 E CB 1.172 30.865 29.700 -0.011 0.000 1.175 162 E HN 0.732 nan 8.360 nan 0.000 0.407 163 W N 2.395 123.685 121.300 -0.016 0.000 2.839 163 W HA 0.373 5.033 4.660 -0.000 0.000 0.334 163 W C -1.682 174.863 176.519 0.043 0.000 1.064 163 W CA -0.792 56.605 57.345 0.086 0.000 1.236 163 W CB 1.494 31.018 29.460 0.107 0.000 1.405 163 W HN 0.504 nan 8.180 nan 0.000 0.478 164 Y N 2.990 123.037 120.300 -0.421 0.000 2.419 164 Y HA 0.206 4.756 4.550 -0.000 0.000 0.328 164 Y C 1.485 177.191 175.900 -0.325 0.000 1.162 164 Y CA -0.084 57.853 58.100 -0.272 0.000 1.174 164 Y CB 1.384 39.732 38.460 -0.186 0.000 1.228 164 Y HN 0.430 nan 8.280 nan 0.000 0.473 165 H N -0.535 118.497 119.070 -0.063 0.000 2.563 165 H HA 0.100 4.656 4.556 -0.000 0.000 0.264 165 H C -0.687 174.622 175.328 -0.032 0.000 0.957 165 H CA 0.086 56.111 56.048 -0.038 0.000 1.173 165 H CB 0.689 30.473 29.762 0.037 0.000 1.420 165 H HN 0.618 nan 8.280 nan 0.000 0.551 166 D N 0.991 121.454 120.400 0.105 0.000 2.252 166 D HA 0.184 4.824 4.640 -0.000 0.000 0.245 166 D C -0.308 175.965 176.300 -0.045 0.000 1.009 166 D CA -0.622 53.394 54.000 0.026 0.000 0.870 166 D CB 2.845 43.671 40.800 0.043 0.000 1.251 166 D HN -0.051 nan 8.370 nan 0.000 0.460 167 L N 1.117 122.298 121.223 -0.069 0.000 2.483 167 L HA -0.019 4.320 4.340 -0.000 0.000 0.275 167 L C 1.892 178.726 176.870 -0.060 0.000 1.220 167 L CA 0.015 54.813 54.840 -0.071 0.000 0.833 167 L CB 0.279 42.281 42.059 -0.095 0.000 1.102 167 L HN 0.274 nan 8.230 nan 0.000 0.490 168 V N 0.938 120.813 119.914 -0.066 0.000 2.332 168 V HA -0.300 3.819 4.120 -0.000 0.000 0.248 168 V C 2.136 178.245 176.094 0.025 0.000 1.055 168 V CA 2.378 64.644 62.300 -0.057 0.000 1.038 168 V CB -0.952 30.773 31.823 -0.164 0.000 0.651 168 V HN 1.077 nan 8.190 nan 0.000 0.450 169 T N -0.139 114.429 114.554 0.024 0.000 2.649 169 T HA -0.278 4.072 4.350 -0.000 0.000 0.268 169 T C 1.611 176.327 174.700 0.026 0.000 1.036 169 T CA 2.015 64.134 62.100 0.033 0.000 1.157 169 T CB -0.438 68.437 68.868 0.011 0.000 0.861 169 T HN 0.555 nan 8.240 nan 0.000 0.445 170 D N 0.883 121.282 120.400 -0.001 0.000 2.123 170 D HA 0.034 4.674 4.640 -0.000 0.000 0.200 170 D C 2.248 178.555 176.300 0.013 0.000 0.976 170 D CA 0.727 54.726 54.000 -0.002 0.000 0.831 170 D CB -0.293 40.494 40.800 -0.021 0.000 0.974 170 D HN 0.317 nan 8.370 nan 0.000 0.469 171 L N 0.996 122.225 121.223 0.009 0.000 2.083 171 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 171 L C 2.535 179.428 176.870 0.039 0.000 1.083 171 L CA 1.067 55.894 54.840 -0.022 0.000 0.752 171 L CB -0.640 41.354 42.059 -0.107 0.000 0.899 171 L HN 0.004 nan 8.230 nan 0.000 0.433 172 T N -0.625 114.010 114.554 0.135 0.000 2.803 172 T HA -0.212 4.138 4.350 -0.000 0.000 0.269 172 T C 1.824 176.608 174.700 0.141 0.000 1.052 172 T CA 1.193 63.428 62.100 0.224 0.000 1.136 172 T CB -0.159 68.835 68.868 0.209 0.000 0.864 172 T HN 0.328 nan 8.240 nan 0.000 0.467 173 K N 1.403 121.852 120.400 0.082 0.000 2.097 173 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 173 K C 2.650 179.278 176.600 0.047 0.000 1.049 173 K CA 1.733 58.052 56.287 0.053 0.000 0.933 173 K CB -0.164 32.359 32.500 0.040 0.000 0.717 173 K HN 0.491 nan 8.250 nan 0.000 0.442 174 S N -0.318 115.413 115.700 0.051 0.000 2.517 174 S HA 0.010 4.480 4.470 -0.000 0.000 0.214 174 S C 1.629 176.255 174.600 0.044 0.000 0.991 174 S CA -0.319 57.910 58.200 0.047 0.000 0.906 174 S CB -0.183 63.037 63.200 0.033 0.000 0.789 174 S HN 0.255 nan 8.310 nan 0.000 0.513 175 F N 2.145 122.022 119.950 -0.121 0.000 2.118 175 F HA 0.447 4.974 4.527 -0.000 0.000 0.293 175 F C 1.073 176.800 175.800 -0.122 0.000 1.102 175 F CA 0.517 58.411 58.000 -0.177 0.000 1.247 175 F CB -0.150 38.685 39.000 -0.275 0.000 1.017 175 F HN 0.186 nan 8.300 nan 0.000 0.475 176 M N 1.525 120.947 119.600 -0.297 0.000 3.176 176 M HA 0.237 4.717 4.480 -0.000 0.000 0.284 176 M C -0.591 175.564 176.300 -0.241 0.000 1.392 176 M CA 0.019 55.081 55.300 -0.397 0.000 1.520 176 M CB -0.181 32.296 32.600 -0.205 0.000 1.100 176 M HN 0.112 nan 8.290 nan 0.000 0.555 177 S N 0.614 116.161 115.700 -0.255 0.000 2.579 177 S HA 0.479 4.949 4.470 -0.000 0.000 0.272 177 S C 0.711 175.176 174.600 -0.224 0.000 1.141 177 S CA -0.527 57.568 58.200 -0.175 0.000 0.843 177 S CB 1.178 64.344 63.200 -0.057 0.000 1.122 177 S HN 0.550 nan 8.310 nan 0.000 0.468 178 V N 2.177 121.907 119.914 -0.306 0.000 2.970 178 V HA 0.130 4.250 4.120 -0.000 0.000 0.260 178 V C 0.985 176.858 176.094 -0.369 0.000 1.100 178 V CA 1.274 63.356 62.300 -0.364 0.000 1.122 178 V CB -1.335 30.224 31.823 -0.441 0.000 0.721 178 V HN 0.862 nan 8.190 nan 0.000 0.483 179 Y N 0.955 121.220 120.300 -0.058 0.000 2.462 179 Y HA 0.368 4.918 4.550 -0.000 0.000 0.293 179 Y C 1.222 177.089 175.900 -0.056 0.000 1.195 179 Y CA 0.229 58.301 58.100 -0.046 0.000 1.276 179 Y CB -0.020 38.419 38.460 -0.037 0.000 1.082 179 Y HN 0.417 nan 8.280 nan 0.000 0.514 180 N N 0.052 118.749 118.700 -0.004 0.000 2.703 180 N HA 0.212 4.951 4.740 -0.000 0.000 0.283 180 N C -2.514 172.942 175.510 -0.091 0.000 1.851 180 N CA -2.062 50.963 53.050 -0.043 0.000 0.826 180 N CB 0.682 39.119 38.487 -0.083 0.000 1.239 180 N HN -0.120 nan 8.380 nan 0.000 0.495 181 P HA 0.013 nan 4.420 nan 0.000 0.225 181 P C 0.819 178.093 177.300 -0.043 0.000 1.156 181 P CA 1.017 64.085 63.100 -0.054 0.000 0.787 181 P CB 0.201 31.888 31.700 -0.022 0.000 0.802 182 T N -2.811 111.727 114.554 -0.026 0.000 3.035 182 T HA 0.151 4.501 4.350 -0.000 0.000 0.268 182 T C 1.655 176.353 174.700 -0.003 0.000 1.109 182 T CA 0.816 62.914 62.100 -0.003 0.000 1.119 182 T CB -1.040 67.838 68.868 0.017 0.000 0.900 182 T HN 0.251 nan 8.240 nan 0.000 0.503 183 G N 1.798 110.566 108.800 -0.053 0.000 2.160 183 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.251 183 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.251 183 G C 0.247 175.209 174.900 0.103 0.000 1.008 183 G CA -0.140 44.918 45.100 -0.071 0.000 0.724 183 G HN 1.069 nan 8.290 nan 0.000 0.514 184 A N 0.719 123.588 122.820 0.082 0.000 2.545 184 A HA 0.461 4.781 4.320 -0.000 0.000 0.253 184 A C 0.960 178.621 177.584 0.128 0.000 1.074 184 A CA 0.748 52.845 52.037 0.099 0.000 0.760 184 A CB 0.176 19.203 19.000 0.045 0.000 1.005 184 A HN 0.900 nan 8.150 nan 0.000 0.506 185 E N 4.261 124.450 120.200 -0.019 0.000 2.338 185 E HA 0.313 4.663 4.350 -0.000 0.000 0.272 185 E C -2.570 173.640 176.600 -0.649 0.000 1.029 185 E CA -1.942 54.098 56.400 -0.600 0.000 0.872 185 E CB 0.233 29.439 29.700 -0.823 0.000 1.015 185 E HN 0.437 nan 8.360 nan 0.000 0.417 186 P HA 0.099 nan 4.420 nan 0.000 0.268 186 P C -0.318 176.934 177.300 -0.080 0.000 1.205 186 P CA 0.085 62.882 63.100 -0.505 0.000 0.771 186 P CB 0.495 31.773 31.700 -0.704 0.000 0.858 187 I N 5.566 126.160 120.570 0.039 0.000 2.371 187 I HA 0.209 4.379 4.170 -0.000 0.000 0.290 187 I C -1.583 174.492 176.117 -0.068 0.000 1.028 187 I CA -2.216 59.121 61.300 0.063 0.000 1.345 187 I CB 0.807 38.789 38.000 -0.029 0.000 1.407 187 I HN 0.248 nan 8.210 nan 0.000 0.501 188 P HA 0.113 nan 4.420 nan 0.000 0.273 188 P C -0.490 176.635 177.300 -0.292 0.000 1.250 188 P CA -0.240 62.397 63.100 -0.771 0.000 0.793 188 P CB 0.919 32.239 31.700 -0.632 0.000 1.011 189 Q N -0.615 119.036 119.800 -0.249 0.000 2.396 189 Q HA 0.243 4.583 4.340 -0.000 0.000 0.220 189 Q C 0.103 176.104 176.000 0.002 0.000 0.900 189 Q CA 0.985 56.672 55.803 -0.194 0.000 0.925 189 Q CB 0.261 28.689 28.738 -0.517 0.000 1.065 189 Q HN 0.430 nan 8.270 nan 0.000 0.535 190 N N -1.190 117.595 118.700 0.142 0.000 2.859 190 N HA 0.307 5.047 4.740 -0.000 0.000 0.250 190 N C -1.641 173.952 175.510 0.138 0.000 1.341 190 N CA -0.449 52.724 53.050 0.206 0.000 0.881 190 N CB 1.265 39.859 38.487 0.178 0.000 1.516 190 N HN -0.043 nan 8.380 nan 0.000 0.503 191 L N 1.889 123.109 121.223 -0.005 0.000 2.334 191 L HA 0.602 4.942 4.340 -0.000 0.000 0.277 191 L C 0.299 177.110 176.870 -0.098 0.000 1.075 191 L CA -0.687 54.042 54.840 -0.184 0.000 0.804 191 L CB 0.689 42.535 42.059 -0.356 0.000 1.174 191 L HN 0.505 nan 8.230 nan 0.000 0.438 192 I N 0.523 121.026 120.570 -0.111 0.000 2.785 192 I HA 0.782 4.951 4.170 -0.000 0.000 0.302 192 I C -0.749 175.268 176.117 -0.167 0.000 1.069 192 I CA -1.015 60.207 61.300 -0.131 0.000 1.045 192 I CB 2.215 40.125 38.000 -0.149 0.000 1.236 192 I HN 0.248 nan 8.210 nan 0.000 0.429 193 V N 0.950 120.758 119.914 -0.178 0.000 2.656 193 V HA 0.533 4.653 4.120 -0.000 0.000 0.307 193 V C 0.027 176.005 176.094 -0.193 0.000 1.051 193 V CA -0.806 61.379 62.300 -0.192 0.000 0.893 193 V CB 1.096 32.810 31.823 -0.182 0.000 0.999 193 V HN 0.925 nan 8.190 nan 0.000 0.426 194 N N 3.158 121.732 118.700 -0.210 0.000 2.701 194 N HA -0.245 4.494 4.740 -0.000 0.000 0.250 194 N C 0.497 175.895 175.510 -0.188 0.000 1.046 194 N CA 1.299 54.228 53.050 -0.201 0.000 0.733 194 N CB -1.178 37.200 38.487 -0.183 0.000 0.973 194 N HN 1.008 nan 8.380 nan 0.000 0.541 195 N N -2.964 115.615 118.700 -0.201 0.000 2.747 195 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 195 N C -0.200 175.195 175.510 -0.191 0.000 1.107 195 N CA 1.634 54.560 53.050 -0.207 0.000 0.707 195 N CB -1.461 36.931 38.487 -0.158 0.000 1.054 195 N HN 0.756 nan 8.380 nan 0.000 0.555 196 T N -3.720 110.724 114.554 -0.182 0.000 2.647 196 T HA 0.747 5.097 4.350 -0.000 0.000 0.295 196 T C 0.034 174.647 174.700 -0.146 0.000 1.126 196 T CA -0.903 61.105 62.100 -0.152 0.000 1.040 196 T CB 2.234 71.043 68.868 -0.099 0.000 1.472 196 T HN -0.014 nan 8.240 nan 0.000 0.500 197 M N 1.283 120.817 119.600 -0.110 0.000 2.777 197 M HA 0.426 4.906 4.480 -0.000 0.000 0.307 197 M C -0.680 175.545 176.300 -0.125 0.000 1.228 197 M CA -0.696 54.538 55.300 -0.110 0.000 0.871 197 M CB 1.467 34.031 32.600 -0.061 0.000 1.721 197 M HN 1.025 nan 8.290 nan 0.000 0.487 198 N N 0.331 118.911 118.700 -0.199 0.000 2.678 198 N HA -0.197 4.543 4.740 -0.000 0.000 0.268 198 N C -1.218 174.119 175.510 -0.288 0.000 1.010 198 N CA 0.162 53.002 53.050 -0.349 0.000 0.784 198 N CB -1.666 36.754 38.487 -0.112 0.000 0.905 198 N HN 0.539 nan 8.380 nan 0.000 0.552 199 L N -0.329 120.709 121.223 -0.308 0.000 2.399 199 L HA 0.554 4.893 4.340 -0.000 0.000 0.266 199 L C 0.048 176.879 176.870 -0.065 0.000 1.114 199 L CA 0.057 54.812 54.840 -0.142 0.000 0.804 199 L CB 1.250 43.225 42.059 -0.141 0.000 1.146 199 L HN 0.329 nan 8.230 nan 0.000 0.451 200 T N 3.705 118.306 114.554 0.078 0.000 2.767 200 T HA 0.272 4.622 4.350 -0.000 0.000 0.284 200 T C -1.456 173.354 174.700 0.184 0.000 0.973 200 T CA 0.144 62.347 62.100 0.173 0.000 0.996 200 T CB 0.497 69.465 68.868 0.167 0.000 0.927 200 T HN 0.567 nan 8.240 nan 0.000 0.456 201 W N 4.254 125.531 121.300 -0.038 0.000 2.338 201 W HA 0.419 5.079 4.660 -0.000 0.000 0.315 201 W C -0.692 175.760 176.519 -0.111 0.000 1.005 201 W CA -1.548 55.738 57.345 -0.099 0.000 1.380 201 W CB 0.293 29.663 29.460 -0.150 0.000 1.235 201 W HN 0.612 nan 8.180 nan 0.000 0.409 202 E N 4.405 124.578 120.200 -0.045 0.000 2.223 202 E HA 0.287 4.637 4.350 -0.000 0.000 0.282 202 E C 0.040 176.377 176.600 -0.438 0.000 1.046 202 E CA -0.282 55.994 56.400 -0.206 0.000 0.857 202 E CB 1.287 30.951 29.700 -0.060 0.000 1.055 202 E HN 0.350 nan 8.360 nan 0.000 0.409 203 V N 0.523 120.046 119.914 -0.652 0.000 2.994 203 V HA 0.443 4.563 4.120 -0.000 0.000 0.318 203 V C -0.492 175.362 176.094 -0.400 0.000 1.085 203 V CA -1.099 60.757 62.300 -0.740 0.000 0.998 203 V CB 2.059 33.071 31.823 -1.351 0.000 1.063 203 V HN 0.445 nan 8.190 nan 0.000 0.447 204 Q N 2.192 121.907 119.800 -0.142 0.000 2.245 204 Q HA 0.556 4.896 4.340 -0.000 0.000 0.256 204 Q C -2.654 173.298 176.000 -0.081 0.000 0.942 204 Q CA -2.175 53.584 55.803 -0.075 0.000 0.896 204 Q CB 1.968 30.710 28.738 0.007 0.000 1.272 204 Q HN 0.669 nan 8.270 nan 0.000 0.442 205 P HA -0.057 nan 4.420 nan 0.000 0.272 205 P C -0.294 177.016 177.300 0.016 0.000 1.223 205 P CA 0.057 63.199 63.100 0.069 0.000 0.784 205 P CB 0.419 32.188 31.700 0.115 0.000 0.923 206 D N -0.425 119.958 120.400 -0.029 0.000 2.735 206 D HA -0.135 4.505 4.640 -0.000 0.000 0.235 206 D C -1.070 175.200 176.300 -0.050 0.000 1.175 206 D CA 1.190 55.133 54.000 -0.096 0.000 0.683 206 D CB -1.359 39.472 40.800 0.052 0.000 1.008 206 D HN 0.302 nan 8.370 nan 0.000 0.416 207 T N 0.866 115.334 114.554 -0.143 0.000 2.886 207 T HA 0.525 4.875 4.350 -0.000 0.000 0.292 207 T C -0.181 174.575 174.700 0.093 0.000 1.012 207 T CA -0.752 61.328 62.100 -0.033 0.000 0.982 207 T CB 1.830 70.614 68.868 -0.141 0.000 1.018 207 T HN -0.017 nan 8.240 nan 0.000 0.451 208 T N 3.308 117.979 114.554 0.195 0.000 2.728 208 T HA 0.421 4.771 4.350 -0.000 0.000 0.296 208 T C -0.847 173.931 174.700 0.129 0.000 0.940 208 T CA -0.273 62.007 62.100 0.299 0.000 1.013 208 T CB -0.101 68.939 68.868 0.287 0.000 0.912 208 T HN 0.390 nan 8.240 nan 0.000 0.484 209 Y N 2.066 122.509 120.300 0.238 0.000 2.341 209 Y HA 0.490 5.039 4.550 -0.000 0.000 0.337 209 Y C 0.027 175.996 175.900 0.115 0.000 1.014 209 Y CA -1.274 56.955 58.100 0.215 0.000 1.111 209 Y CB 1.247 39.912 38.460 0.342 0.000 1.194 209 Y HN 0.459 nan 8.280 nan 0.000 0.462 210 L N 5.459 126.728 121.223 0.076 0.000 2.283 210 L HA 0.362 4.702 4.340 -0.000 0.000 0.287 210 L C -1.077 175.720 176.870 -0.123 0.000 1.073 210 L CA 0.034 54.767 54.840 -0.178 0.000 0.822 210 L CB 0.033 41.619 42.059 -0.789 0.000 1.186 210 L HN 0.610 nan 8.230 nan 0.000 0.436 211 L N 6.395 127.565 121.223 -0.089 0.000 2.276 211 L HA 0.503 4.842 4.340 -0.000 0.000 0.286 211 L C -0.364 176.378 176.870 -0.212 0.000 1.024 211 L CA -0.656 54.079 54.840 -0.176 0.000 0.826 211 L CB 0.564 42.532 42.059 -0.151 0.000 1.211 211 L HN 0.663 nan 8.230 nan 0.000 0.422 212 R N 5.946 126.289 120.500 -0.261 0.000 2.205 212 R HA 0.433 4.773 4.340 -0.000 0.000 0.342 212 R C -0.810 175.296 176.300 -0.324 0.000 1.058 212 R CA -0.240 55.704 56.100 -0.261 0.000 0.904 212 R CB 0.624 30.775 30.300 -0.248 0.000 1.089 212 R HN 0.523 nan 8.270 nan 0.000 0.471 213 I N 3.399 123.769 120.570 -0.333 0.000 2.321 213 I HA 0.247 4.417 4.170 -0.000 0.000 0.291 213 I C -0.363 175.516 176.117 -0.396 0.000 0.998 213 I CA -0.846 60.178 61.300 -0.460 0.000 1.227 213 I CB 1.532 39.151 38.000 -0.634 0.000 1.368 213 I HN 0.204 nan 8.210 nan 0.000 0.466 214 V N 5.337 124.978 119.914 -0.455 0.000 2.531 214 V HA 0.306 4.426 4.120 -0.000 0.000 0.301 214 V C -0.073 175.675 176.094 -0.578 0.000 1.034 214 V CA -0.784 61.205 62.300 -0.518 0.000 0.865 214 V CB 1.836 33.324 31.823 -0.559 0.000 0.995 214 V HN 0.659 nan 8.190 nan 0.000 0.424 215 N N 3.815 122.156 118.700 -0.598 0.000 2.555 215 N HA 0.112 4.852 4.740 -0.000 0.000 0.244 215 N C 0.484 175.510 175.510 -0.807 0.000 1.114 215 N CA -0.245 52.458 53.050 -0.578 0.000 0.963 215 N CB 1.466 39.678 38.487 -0.458 0.000 1.276 215 N HN 0.637 nan 8.380 nan 0.000 0.510 216 V N 1.346 120.775 119.914 -0.807 0.000 3.490 216 V HA 0.434 4.553 4.120 -0.000 0.000 0.315 216 V C 1.247 177.137 176.094 -0.340 0.000 1.284 216 V CA -0.501 61.196 62.300 -1.006 0.000 1.233 216 V CB -0.727 30.622 31.823 -0.790 0.000 1.101 216 V HN 0.366 nan 8.190 nan 0.000 0.425 217 G N 0.244 108.910 108.800 -0.222 0.000 2.634 217 G HA2 0.455 4.414 3.960 -0.000 0.000 0.255 217 G HA3 0.455 4.414 3.960 -0.000 0.000 0.255 217 G C 0.870 175.898 174.900 0.214 0.000 1.205 217 G CA 0.008 45.119 45.100 0.018 0.000 0.884 217 G HN 0.546 nan 8.290 nan 0.000 0.549 218 G N -1.732 107.139 108.800 0.118 0.000 2.939 218 G HA2 0.283 4.242 3.960 -0.000 0.000 0.216 218 G HA3 0.283 4.242 3.960 -0.000 0.000 0.216 218 G C 0.535 175.428 174.900 -0.011 0.000 1.125 218 G CA 0.546 45.582 45.100 -0.107 0.000 0.766 218 G HN 0.439 nan 8.290 nan 0.000 0.541 219 F N -0.207 119.709 119.950 -0.057 0.000 1.881 219 F HA 0.482 5.009 4.527 -0.000 0.000 0.233 219 F C 0.227 176.029 175.800 0.004 0.000 1.186 219 F CA -0.751 57.250 58.000 0.001 0.000 1.298 219 F CB 0.196 39.336 39.000 0.233 0.000 1.756 219 F HN -0.120 nan 8.300 nan 0.000 0.431 220 V N 2.754 122.505 119.914 -0.271 0.000 2.583 220 V HA 0.406 4.526 4.120 -0.000 0.000 0.287 220 V C 0.072 175.950 176.094 -0.361 0.000 1.051 220 V CA -0.188 61.800 62.300 -0.520 0.000 1.010 220 V CB 1.019 32.625 31.823 -0.362 0.000 0.988 220 V HN 0.471 nan 8.190 nan 0.000 0.478 221 S N 5.749 121.219 115.700 -0.384 0.000 2.585 221 S HA 0.397 4.867 4.470 -0.000 0.000 0.273 221 S C -0.408 173.875 174.600 -0.529 0.000 1.339 221 S CA -0.419 57.460 58.200 -0.536 0.000 1.028 221 S CB 0.779 63.534 63.200 -0.741 0.000 0.906 221 S HN 0.824 nan 8.310 nan 0.000 0.528 222 Q N 0.457 119.884 119.800 -0.622 0.000 2.372 222 Q HA 0.399 4.739 4.340 -0.000 0.000 0.273 222 Q C -1.620 174.146 176.000 -0.389 0.000 1.078 222 Q CA -0.598 54.959 55.803 -0.410 0.000 0.806 222 Q CB 1.753 30.309 28.738 -0.303 0.000 1.332 222 Q HN 0.628 nan 8.270 nan 0.000 0.435 223 Y N 0.974 121.280 120.300 0.009 0.000 2.299 223 Y HA 0.467 5.017 4.550 -0.000 0.000 0.326 223 Y C -0.503 175.547 175.900 0.250 0.000 1.164 223 Y CA -0.417 57.786 58.100 0.172 0.000 1.234 223 Y CB 0.769 39.413 38.460 0.307 0.000 1.219 223 Y HN 0.496 nan 8.280 nan 0.000 0.497 224 F N 4.321 124.437 119.950 0.277 0.000 2.561 224 F HA 0.672 5.199 4.527 -0.000 0.000 0.313 224 F C -1.592 174.408 175.800 0.333 0.000 1.126 224 F CA -1.275 56.793 58.000 0.113 0.000 0.918 224 F CB 1.143 40.098 39.000 -0.076 0.000 1.199 224 F HN 0.665 nan 8.300 nan 0.000 0.444 225 W N 5.864 126.747 121.300 -0.695 0.000 3.066 225 W HA 0.758 5.417 4.660 -0.000 0.000 0.330 225 W C -2.563 173.641 176.519 -0.525 0.000 1.253 225 W CA -1.422 55.666 57.345 -0.428 0.000 1.187 225 W CB 0.633 30.018 29.460 -0.124 0.000 1.434 225 W HN 0.447 nan 8.180 nan 0.000 0.572 226 I N 2.488 123.037 120.570 -0.035 0.000 2.389 226 I HA 0.158 4.328 4.170 -0.000 0.000 0.288 226 I C 0.260 176.507 176.117 0.217 0.000 0.999 226 I CA -1.037 60.238 61.300 -0.042 0.000 1.129 226 I CB 1.700 39.703 38.000 0.005 0.000 1.288 226 I HN 0.636 nan 8.210 nan 0.000 0.444 227 E N 6.695 127.030 120.200 0.225 0.000 2.652 227 E HA -0.163 4.187 4.350 -0.000 0.000 0.255 227 E C -0.128 176.683 176.600 0.351 0.000 0.952 227 E CA 0.444 57.049 56.400 0.343 0.000 0.947 227 E CB 0.272 30.186 29.700 0.357 0.000 0.912 227 E HN 0.612 nan 8.360 nan 0.000 0.489 228 D N 2.267 122.802 120.400 0.224 0.000 2.983 228 D HA -0.216 4.424 4.640 -0.000 0.000 0.225 228 D C -1.156 175.008 176.300 -0.227 0.000 1.174 228 D CA 1.251 55.258 54.000 0.012 0.000 0.831 228 D CB -1.096 39.694 40.800 -0.017 0.000 1.104 228 D HN 0.494 nan 8.370 nan 0.000 0.421 229 H N 0.002 119.030 119.070 -0.069 0.000 2.689 229 H HA 0.403 4.959 4.556 -0.000 0.000 0.346 229 H C 0.102 175.460 175.328 0.050 0.000 1.037 229 H CA -0.529 55.495 56.048 -0.040 0.000 1.234 229 H CB 1.122 30.856 29.762 -0.046 0.000 1.572 229 H HN -0.078 nan 8.280 nan 0.000 0.524 230 E N 2.627 122.907 120.200 0.132 0.000 2.374 230 E HA 0.334 4.684 4.350 -0.000 0.000 0.260 230 E C -0.359 176.344 176.600 0.172 0.000 1.101 230 E CA -0.345 56.133 56.400 0.130 0.000 0.907 230 E CB 1.120 30.869 29.700 0.083 0.000 1.014 230 E HN 0.433 nan 8.360 nan 0.000 0.427 231 M N 1.325 121.022 119.600 0.162 0.000 2.253 231 M HA 0.250 4.730 4.480 -0.000 0.000 0.314 231 M C -0.981 175.400 176.300 0.135 0.000 1.019 231 M CA -0.525 54.877 55.300 0.171 0.000 0.932 231 M CB 2.127 34.846 32.600 0.199 0.000 1.606 231 M HN 0.311 nan 8.290 nan 0.000 0.430 232 T N 2.720 117.345 114.554 0.119 0.000 2.801 232 T HA 0.382 4.731 4.350 -0.000 0.000 0.306 232 T C 0.025 174.781 174.700 0.092 0.000 1.020 232 T CA -0.567 61.580 62.100 0.078 0.000 0.948 232 T CB 0.686 69.568 68.868 0.023 0.000 0.962 232 T HN 0.367 nan 8.240 nan 0.000 0.465 233 V N 4.726 124.712 119.914 0.119 0.000 2.521 233 V HA 0.119 4.239 4.120 -0.000 0.000 0.286 233 V C 1.322 177.501 176.094 0.142 0.000 1.034 233 V CA 0.176 62.573 62.300 0.162 0.000 1.045 233 V CB 0.889 32.847 31.823 0.225 0.000 0.974 233 V HN 0.885 nan 8.190 nan 0.000 0.480 234 V N 0.987 121.009 119.914 0.181 0.000 3.451 234 V HA 0.527 4.647 4.120 -0.000 0.000 0.288 234 V C 0.252 176.515 176.094 0.282 0.000 1.502 234 V CA 0.175 62.646 62.300 0.286 0.000 1.026 234 V CB 0.329 32.408 31.823 0.428 0.000 0.840 234 V HN 0.823 nan 8.190 nan 0.000 0.437 235 E N 1.101 121.396 120.200 0.158 0.000 2.378 235 E HA 0.546 4.896 4.350 -0.000 0.000 0.283 235 E C -1.873 174.683 176.600 -0.073 0.000 0.979 235 E CA -0.684 55.755 56.400 0.064 0.000 0.795 235 E CB 3.024 32.759 29.700 0.058 0.000 1.221 235 E HN 0.541 nan 8.360 nan 0.000 0.428 236 I N 0.196 120.676 120.570 -0.150 0.000 2.545 236 I HA 0.506 4.676 4.170 -0.000 0.000 0.292 236 I C -0.717 175.239 176.117 -0.270 0.000 1.040 236 I CA -0.807 60.300 61.300 -0.322 0.000 1.068 236 I CB 1.857 39.600 38.000 -0.427 0.000 1.251 236 I HN 0.358 nan 8.210 nan 0.000 0.424 237 D N 4.658 124.871 120.400 -0.311 0.000 2.692 237 D HA -0.186 4.454 4.640 -0.000 0.000 0.233 237 D C 1.294 177.418 176.300 -0.292 0.000 1.172 237 D CA 1.986 55.827 54.000 -0.265 0.000 0.636 237 D CB -1.064 39.632 40.800 -0.173 0.000 1.028 237 D HN 1.379 nan 8.370 nan 0.000 0.419 238 G N -1.313 107.245 108.800 -0.403 0.000 2.212 238 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.266 238 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.266 238 G C 0.276 175.130 174.900 -0.076 0.000 0.978 238 G CA 0.273 45.167 45.100 -0.343 0.000 0.632 238 G HN 0.477 nan 8.290 nan 0.000 0.537 239 I N 2.906 123.436 120.570 -0.066 0.000 2.297 239 I HA 0.280 4.450 4.170 -0.000 0.000 0.291 239 I C 0.933 177.066 176.117 0.027 0.000 1.033 239 I CA -0.532 60.770 61.300 0.003 0.000 1.253 239 I CB 0.189 38.178 38.000 -0.017 0.000 1.396 239 I HN 0.033 nan 8.210 nan 0.000 0.476 240 T N 4.685 119.285 114.554 0.076 0.000 2.928 240 T HA 0.139 4.489 4.350 -0.000 0.000 0.305 240 T C 0.589 175.365 174.700 0.127 0.000 1.035 240 T CA 0.249 62.410 62.100 0.102 0.000 1.145 240 T CB 0.748 69.624 68.868 0.013 0.000 0.963 240 T HN 0.611 nan 8.240 nan 0.000 0.545 241 T N 2.018 116.673 114.554 0.168 0.000 2.930 241 T HA 0.293 4.643 4.350 -0.000 0.000 0.290 241 T C -0.447 174.436 174.700 0.305 0.000 1.052 241 T CA -0.894 61.320 62.100 0.190 0.000 1.017 241 T CB 1.064 70.013 68.868 0.136 0.000 1.137 241 T HN 0.494 nan 8.240 nan 0.000 0.511 242 E N 2.353 122.709 120.200 0.260 0.000 2.373 242 E HA 0.121 4.471 4.350 -0.000 0.000 0.267 242 E C -0.005 176.699 176.600 0.173 0.000 1.032 242 E CA -0.107 56.459 56.400 0.277 0.000 0.889 242 E CB 0.581 30.375 29.700 0.157 0.000 0.984 242 E HN 0.453 nan 8.360 nan 0.000 0.425 243 K N 2.676 123.123 120.400 0.079 0.000 2.473 243 K HA -0.053 4.266 4.320 -0.000 0.000 0.277 243 K C 0.241 176.854 176.600 0.022 0.000 1.052 243 K CA 0.423 56.675 56.287 -0.057 0.000 1.114 243 K CB 0.104 32.488 32.500 -0.193 0.000 0.869 243 K HN 0.250 nan 8.250 nan 0.000 0.481 244 N N 2.814 121.545 118.700 0.052 0.000 2.461 244 N HA 0.156 4.896 4.740 -0.000 0.000 0.284 244 N C -1.350 174.209 175.510 0.081 0.000 1.049 244 N CA -0.492 52.603 53.050 0.076 0.000 0.889 244 N CB 1.566 40.121 38.487 0.114 0.000 1.365 244 N HN 0.106 nan 8.380 nan 0.000 0.499 245 V N 3.046 122.998 119.914 0.063 0.000 2.461 245 V HA 0.493 4.613 4.120 -0.000 0.000 0.275 245 V C 0.375 176.517 176.094 0.080 0.000 1.047 245 V CA 0.003 62.343 62.300 0.067 0.000 0.955 245 V CB 0.986 32.836 31.823 0.044 0.000 0.988 245 V HN 0.813 nan 8.190 nan 0.000 0.471 246 T N 0.788 115.402 114.554 0.100 0.000 2.865 246 T HA 0.442 4.792 4.350 -0.000 0.000 0.294 246 T C -0.016 174.750 174.700 0.111 0.000 1.119 246 T CA -0.736 61.426 62.100 0.105 0.000 1.007 246 T CB 2.180 71.131 68.868 0.137 0.000 1.225 246 T HN 0.463 nan 8.240 nan 0.000 0.515 247 D N -0.309 120.149 120.400 0.096 0.000 2.392 247 D HA 0.232 4.872 4.640 -0.000 0.000 0.206 247 D C 0.167 176.554 176.300 0.144 0.000 1.046 247 D CA 0.459 54.517 54.000 0.096 0.000 0.865 247 D CB 0.665 41.478 40.800 0.023 0.000 0.969 247 D HN 0.399 nan 8.370 nan 0.000 0.509 248 M N 0.875 120.576 119.600 0.169 0.000 2.421 248 M HA 0.323 4.803 4.480 -0.000 0.000 0.287 248 M C -2.051 174.422 176.300 0.287 0.000 1.183 248 M CA -0.485 54.965 55.300 0.250 0.000 0.916 248 M CB 2.569 35.270 32.600 0.168 0.000 1.701 248 M HN -0.285 nan 8.290 nan 0.000 0.470 249 L N 3.254 124.647 121.223 0.283 0.000 2.334 249 L HA 0.521 4.861 4.340 -0.000 0.000 0.273 249 L C -1.526 175.399 176.870 0.092 0.000 1.013 249 L CA -0.934 53.957 54.840 0.085 0.000 0.816 249 L CB 1.992 43.927 42.059 -0.207 0.000 1.278 249 L HN 0.646 nan 8.230 nan 0.000 0.431 250 Y N 3.621 123.800 120.300 -0.202 0.000 2.356 250 Y HA 0.579 5.129 4.550 -0.000 0.000 0.334 250 Y C -0.731 174.977 175.900 -0.321 0.000 0.958 250 Y CA -0.659 57.154 58.100 -0.478 0.000 1.196 250 Y CB 0.809 38.652 38.460 -1.028 0.000 1.137 250 Y HN 0.330 nan 8.280 nan 0.000 0.485 251 I N 6.710 126.857 120.570 -0.705 0.000 2.382 251 I HA 0.287 4.457 4.170 -0.000 0.000 0.286 251 I C 0.251 176.007 176.117 -0.600 0.000 1.002 251 I CA -0.768 60.264 61.300 -0.447 0.000 1.135 251 I CB 1.682 39.479 38.000 -0.338 0.000 1.288 251 I HN 0.626 nan 8.210 nan 0.000 0.448 252 T N 2.705 117.010 114.554 -0.416 0.000 2.788 252 T HA 0.425 4.775 4.350 -0.000 0.000 0.287 252 T C 0.500 175.032 174.700 -0.280 0.000 1.007 252 T CA -0.861 61.029 62.100 -0.351 0.000 1.005 252 T CB 1.326 70.143 68.868 -0.085 0.000 1.012 252 T HN 0.386 nan 8.240 nan 0.000 0.530 253 V N -0.793 118.982 119.914 -0.231 0.000 2.872 253 V HA 0.469 4.589 4.120 -0.000 0.000 0.307 253 V C 1.504 177.385 176.094 -0.355 0.000 1.072 253 V CA -0.062 62.085 62.300 -0.254 0.000 1.148 253 V CB -0.715 31.062 31.823 -0.078 0.000 0.954 253 V HN 2.181 nan 8.190 nan 0.000 0.490 254 A N 1.325 123.799 122.820 -0.577 0.000 4.030 254 A HA -0.212 4.108 4.320 -0.000 0.000 0.261 254 A C 0.775 178.024 177.584 -0.559 0.000 0.920 254 A CA 1.460 53.084 52.037 -0.688 0.000 1.304 254 A CB -2.428 15.937 19.000 -1.058 0.000 1.035 254 A HN 1.674 nan 8.150 nan 0.000 0.829 255 Q N -0.573 118.998 119.800 -0.381 0.000 2.260 255 Q HA 0.735 5.075 4.340 -0.000 0.000 0.238 255 Q C -0.379 175.434 176.000 -0.311 0.000 0.948 255 Q CA -0.681 54.965 55.803 -0.263 0.000 0.895 255 Q CB 0.775 29.449 28.738 -0.107 0.000 1.218 255 Q HN 0.454 nan 8.270 nan 0.000 0.470 256 R N 1.073 121.395 120.500 -0.297 0.000 2.513 256 R HA 0.405 4.745 4.340 -0.000 0.000 0.301 256 R C -1.621 174.508 176.300 -0.285 0.000 0.968 256 R CA -0.305 55.624 56.100 -0.285 0.000 0.872 256 R CB 1.346 31.455 30.300 -0.318 0.000 1.177 256 R HN 0.595 nan 8.270 nan 0.000 0.444 257 Y N 0.770 120.937 120.300 -0.222 0.000 2.328 257 Y HA 0.397 4.947 4.550 -0.000 0.000 0.337 257 Y C 0.178 175.978 175.900 -0.167 0.000 0.966 257 Y CA -0.637 57.375 58.100 -0.146 0.000 1.136 257 Y CB 2.365 40.762 38.460 -0.105 0.000 1.170 257 Y HN 0.419 nan 8.280 nan 0.000 0.470 258 T N 3.926 118.475 114.554 -0.008 0.000 2.795 258 T HA 0.598 4.947 4.350 -0.000 0.000 0.282 258 T C -0.800 173.928 174.700 0.046 0.000 0.980 258 T CA -0.548 61.527 62.100 -0.042 0.000 1.012 258 T CB 1.057 69.872 68.868 -0.088 0.000 0.936 258 T HN 0.313 nan 8.240 nan 0.000 0.457 259 V N 4.197 124.126 119.914 0.024 0.000 2.841 259 V HA 0.456 4.576 4.120 -0.000 0.000 0.310 259 V C -0.613 175.535 176.094 0.090 0.000 1.090 259 V CA -0.912 61.438 62.300 0.083 0.000 0.930 259 V CB 2.240 34.118 31.823 0.091 0.000 1.014 259 V HN 0.740 nan 8.190 nan 0.000 0.425 260 L N 4.647 125.946 121.223 0.125 0.000 2.292 260 L HA 0.642 4.981 4.340 -0.000 0.000 0.284 260 L C -0.777 176.214 176.870 0.201 0.000 1.065 260 L CA -0.455 54.481 54.840 0.160 0.000 0.806 260 L CB 1.661 43.803 42.059 0.139 0.000 1.175 260 L HN 0.358 nan 8.230 nan 0.000 0.431 261 V N 2.160 122.241 119.914 0.278 0.000 2.525 261 V HA 0.246 4.366 4.120 -0.000 0.000 0.299 261 V C -0.908 175.423 176.094 0.396 0.000 1.034 261 V CA -0.714 61.782 62.300 0.327 0.000 0.863 261 V CB 1.661 33.703 31.823 0.365 0.000 0.999 261 V HN 0.611 nan 8.190 nan 0.000 0.423 262 H N 2.980 122.193 119.070 0.238 0.000 2.519 262 H HA 0.601 5.157 4.556 -0.000 0.000 0.316 262 H C 0.395 175.866 175.328 0.239 0.000 1.065 262 H CA -0.063 56.113 56.048 0.214 0.000 1.264 262 H CB 1.394 31.236 29.762 0.134 0.000 1.413 262 H HN 0.815 nan 8.280 nan 0.000 0.465 263 T N 2.272 116.743 114.554 -0.139 0.000 2.868 263 T HA 0.279 4.629 4.350 -0.000 0.000 0.292 263 T C 0.185 174.836 174.700 -0.081 0.000 1.028 263 T CA -1.049 61.070 62.100 0.031 0.000 1.059 263 T CB 0.865 69.743 68.868 0.015 0.000 0.991 263 T HN 0.646 nan 8.240 nan 0.000 0.531 264 K N 1.920 122.411 120.400 0.151 0.000 2.118 264 K HA 0.278 4.598 4.320 -0.000 0.000 0.240 264 K C 0.566 177.223 176.600 0.094 0.000 1.035 264 K CA -0.950 55.352 56.287 0.025 0.000 0.899 264 K CB 0.268 32.699 32.500 -0.115 0.000 1.085 264 K HN 0.380 nan 8.250 nan 0.000 0.498 265 N N 0.644 119.371 118.700 0.045 0.000 2.354 265 N HA -0.049 4.691 4.740 -0.000 0.000 0.179 265 N C -0.522 175.030 175.510 0.069 0.000 1.021 265 N CA 0.925 54.010 53.050 0.060 0.000 0.887 265 N CB -0.046 38.466 38.487 0.042 0.000 0.974 265 N HN 0.475 nan 8.380 nan 0.000 0.437 266 D N -0.108 120.316 120.400 0.039 0.000 2.277 266 D HA 0.148 4.788 4.640 -0.000 0.000 0.249 266 D C 0.199 176.535 176.300 0.060 0.000 1.134 266 D CA 0.217 54.231 54.000 0.024 0.000 0.863 266 D CB 1.188 41.978 40.800 -0.017 0.000 1.143 266 D HN -0.020 nan 8.370 nan 0.000 0.458 267 T N 0.530 115.142 114.554 0.097 0.000 3.312 267 T HA -0.046 4.304 4.350 -0.000 0.000 0.251 267 T C 1.282 176.019 174.700 0.062 0.000 1.012 267 T CA -0.292 61.900 62.100 0.152 0.000 0.925 267 T CB 0.180 69.121 68.868 0.122 0.000 1.049 267 T HN 0.451 nan 8.240 nan 0.000 0.583 268 D N 0.603 120.999 120.400 -0.006 0.000 2.216 268 D HA -0.005 4.635 4.640 -0.000 0.000 0.208 268 D C 0.722 176.964 176.300 -0.096 0.000 0.960 268 D CA 0.572 54.547 54.000 -0.043 0.000 0.861 268 D CB 0.414 41.187 40.800 -0.044 0.000 0.985 268 D HN 0.093 nan 8.370 nan 0.000 0.493 269 K N 0.543 120.837 120.400 -0.176 0.000 2.385 269 K HA 0.340 4.660 4.320 -0.000 0.000 0.248 269 K C -0.872 175.482 176.600 -0.411 0.000 0.955 269 K CA -0.709 55.379 56.287 -0.332 0.000 0.816 269 K CB 1.960 34.167 32.500 -0.488 0.000 1.250 269 K HN 0.010 nan 8.250 nan 0.000 0.434 270 N N 1.181 119.633 118.700 -0.414 0.000 2.466 270 N HA 0.472 5.212 4.740 -0.000 0.000 0.294 270 N C -0.872 174.331 175.510 -0.513 0.000 1.129 270 N CA -0.163 52.734 53.050 -0.255 0.000 0.931 270 N CB 0.757 39.183 38.487 -0.101 0.000 1.193 270 N HN 0.266 nan 8.380 nan 0.000 0.500 271 F N 0.008 119.996 119.950 0.064 0.000 2.563 271 F HA 0.570 5.097 4.527 -0.000 0.000 0.316 271 F C 0.378 176.201 175.800 0.039 0.000 1.076 271 F CA -1.155 56.876 58.000 0.051 0.000 0.921 271 F CB 1.441 40.484 39.000 0.072 0.000 1.209 271 F HN 0.350 nan 8.300 nan 0.000 0.462 272 A N 3.385 126.323 122.820 0.197 0.000 2.362 272 A HA 0.635 4.955 4.320 -0.000 0.000 0.276 272 A C -0.478 177.060 177.584 -0.077 0.000 1.153 272 A CA -0.345 51.723 52.037 0.052 0.000 0.813 272 A CB -0.182 18.811 19.000 -0.011 0.000 1.081 272 A HN 0.703 nan 8.150 nan 0.000 0.507 273 I N 2.829 123.304 120.570 -0.158 0.000 2.325 273 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 273 I C -0.003 175.787 176.117 -0.546 0.000 1.019 273 I CA 0.020 61.117 61.300 -0.337 0.000 1.302 273 I CB 1.254 39.148 38.000 -0.177 0.000 1.401 273 I HN 0.659 nan 8.210 nan 0.000 0.485 274 M N 7.514 126.553 119.600 -0.934 0.000 2.311 274 M HA 0.351 4.831 4.480 -0.000 0.000 0.325 274 M C -0.845 174.811 176.300 -1.074 0.000 1.061 274 M CA -0.214 54.424 55.300 -1.104 0.000 0.957 274 M CB 1.547 33.096 32.600 -1.751 0.000 1.646 274 M HN 0.552 nan 8.290 nan 0.000 0.434 275 Q N 3.329 122.763 119.800 -0.610 0.000 2.375 275 Q HA 0.670 5.010 4.340 -0.000 0.000 0.271 275 Q C -1.550 174.332 176.000 -0.197 0.000 1.074 275 Q CA -1.066 54.549 55.803 -0.314 0.000 0.808 275 Q CB 2.693 31.341 28.738 -0.150 0.000 1.327 275 Q HN 0.654 nan 8.270 nan 0.000 0.441 276 K N 2.586 122.986 120.400 0.001 0.000 2.468 276 K HA 0.388 4.708 4.320 -0.000 0.000 0.252 276 K C -1.419 175.293 176.600 0.187 0.000 0.932 276 K CA -0.766 55.618 56.287 0.162 0.000 0.794 276 K CB 1.635 34.359 32.500 0.372 0.000 1.241 276 K HN 0.595 nan 8.250 nan 0.000 0.428 277 F N 1.850 121.866 119.950 0.111 0.000 2.602 277 F HA -0.066 4.461 4.527 -0.000 0.000 0.367 277 F C 1.107 177.015 175.800 0.180 0.000 1.126 277 F CA 0.535 58.571 58.000 0.060 0.000 1.321 277 F CB 0.496 39.505 39.000 0.016 0.000 1.094 277 F HN 0.529 nan 8.300 nan 0.000 0.594 278 D N 3.098 123.665 120.400 0.278 0.000 2.483 278 D HA 0.040 4.680 4.640 -0.000 0.000 0.220 278 D C 0.595 177.003 176.300 0.179 0.000 1.173 278 D CA -0.474 53.684 54.000 0.262 0.000 0.964 278 D CB -0.018 40.816 40.800 0.056 0.000 1.046 278 D HN 0.451 nan 8.370 nan 0.000 0.517 279 D N 0.738 121.251 120.400 0.188 0.000 2.350 279 D HA -0.147 4.492 4.640 -0.000 0.000 0.216 279 D C 1.432 177.757 176.300 0.042 0.000 0.968 279 D CA 0.552 54.587 54.000 0.057 0.000 0.894 279 D CB -0.382 40.426 40.800 0.014 0.000 0.909 279 D HN 0.245 nan 8.370 nan 0.000 0.520 280 T N 0.495 115.093 114.554 0.073 0.000 2.737 280 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 280 T C 1.727 176.462 174.700 0.058 0.000 1.040 280 T CA 1.534 63.672 62.100 0.063 0.000 1.142 280 T CB -0.273 68.636 68.868 0.068 0.000 0.861 280 T HN 0.270 nan 8.240 nan 0.000 0.456 281 M N 0.222 119.840 119.600 0.029 0.000 2.562 281 M HA 0.181 4.661 4.480 -0.000 0.000 0.257 281 M C 0.108 176.501 176.300 0.154 0.000 1.099 281 M CA 0.511 55.838 55.300 0.046 0.000 1.099 281 M CB -0.196 32.322 32.600 -0.135 0.000 1.427 281 M HN 0.125 nan 8.290 nan 0.000 0.489 282 L N 0.788 122.059 121.223 0.079 0.000 2.331 282 L HA 0.059 4.399 4.340 -0.000 0.000 0.278 282 L C 1.071 178.003 176.870 0.104 0.000 1.106 282 L CA -0.462 54.447 54.840 0.115 0.000 0.824 282 L CB 0.576 42.617 42.059 -0.030 0.000 1.142 282 L HN 0.077 nan 8.230 nan 0.000 0.443 283 D N 2.342 122.814 120.400 0.120 0.000 2.087 283 D HA -0.129 4.511 4.640 -0.000 0.000 0.192 283 D C 0.319 176.643 176.300 0.039 0.000 0.993 283 D CA 1.397 55.444 54.000 0.079 0.000 0.828 283 D CB 0.393 41.230 40.800 0.062 0.000 0.968 283 D HN 0.256 nan 8.370 nan 0.000 0.448 284 V N -2.055 117.868 119.914 0.014 0.000 3.102 284 V HA 0.525 4.645 4.120 -0.000 0.000 0.312 284 V C -0.242 175.828 176.094 -0.041 0.000 1.135 284 V CA -1.143 61.152 62.300 -0.008 0.000 1.022 284 V CB 2.045 33.862 31.823 -0.010 0.000 1.056 284 V HN 0.001 nan 8.190 nan 0.000 0.436 285 I N 3.859 124.398 120.570 -0.051 0.000 2.330 285 I HA 0.425 4.595 4.170 -0.000 0.000 0.286 285 I C -2.037 174.034 176.117 -0.077 0.000 1.025 285 I CA -1.625 59.622 61.300 -0.089 0.000 1.197 285 I CB 1.607 39.557 38.000 -0.083 0.000 1.358 285 I HN 0.601 nan 8.210 nan 0.000 0.467 286 P HA 0.055 nan 4.420 nan 0.000 0.268 286 P C 0.727 177.989 177.300 -0.063 0.000 1.204 286 P CA -0.157 62.901 63.100 -0.070 0.000 0.768 286 P CB 0.894 32.546 31.700 -0.081 0.000 0.842 287 S N 0.638 116.313 115.700 -0.041 0.000 2.474 287 S HA -0.150 4.320 4.470 -0.000 0.000 0.235 287 S C 1.117 175.703 174.600 -0.023 0.000 0.997 287 S CA 1.013 59.196 58.200 -0.028 0.000 0.949 287 S CB -0.531 62.658 63.200 -0.018 0.000 0.766 287 S HN 0.651 nan 8.310 nan 0.000 0.517 288 D N 0.528 120.911 120.400 -0.028 0.000 2.389 288 D HA 0.076 4.716 4.640 -0.000 0.000 0.206 288 D C 0.589 176.875 176.300 -0.022 0.000 1.055 288 D CA -0.428 53.561 54.000 -0.017 0.000 0.856 288 D CB -0.435 40.357 40.800 -0.014 0.000 0.957 288 D HN 0.412 nan 8.370 nan 0.000 0.509 289 L N 2.490 123.682 121.223 -0.052 0.000 2.477 289 L HA 0.108 4.448 4.340 -0.000 0.000 0.272 289 L C 0.009 176.866 176.870 -0.022 0.000 1.157 289 L CA 0.044 54.843 54.840 -0.068 0.000 0.889 289 L CB 0.526 42.484 42.059 -0.169 0.000 1.158 289 L HN -0.127 nan 8.230 nan 0.000 0.473 290 Q N 5.876 125.699 119.800 0.038 0.000 2.301 290 Q HA 0.039 4.379 4.340 -0.000 0.000 0.262 290 Q C 0.983 177.086 176.000 0.172 0.000 1.168 290 Q CA 0.363 56.218 55.803 0.087 0.000 0.908 290 Q CB 0.662 29.453 28.738 0.088 0.000 1.348 290 Q HN 0.821 nan 8.270 nan 0.000 0.441 291 L N 1.969 123.281 121.223 0.149 0.000 2.156 291 L HA -0.180 4.159 4.340 -0.000 0.000 0.208 291 L C 0.247 177.322 176.870 0.341 0.000 1.095 291 L CA 0.922 55.927 54.840 0.275 0.000 0.770 291 L CB -0.056 42.087 42.059 0.140 0.000 0.914 291 L HN 0.524 nan 8.230 nan 0.000 0.439 292 N N -0.225 118.586 118.700 0.186 0.000 2.314 292 N HA 0.592 5.332 4.740 -0.000 0.000 0.294 292 N C -0.907 174.610 175.510 0.012 0.000 1.029 292 N CA -0.493 52.616 53.050 0.099 0.000 0.845 292 N CB 1.798 40.357 38.487 0.119 0.000 1.321 292 N HN -0.034 nan 8.380 nan 0.000 0.481 293 A N 1.076 123.849 122.820 -0.079 0.000 2.342 293 A HA 0.752 5.072 4.320 -0.000 0.000 0.323 293 A C -0.634 176.821 177.584 -0.215 0.000 1.125 293 A CA -0.627 51.338 52.037 -0.121 0.000 0.785 293 A CB 0.838 19.765 19.000 -0.123 0.000 1.221 293 A HN 0.628 nan 8.150 nan 0.000 0.463 294 T N 2.048 116.479 114.554 -0.206 0.000 2.779 294 T HA 0.613 4.963 4.350 -0.000 0.000 0.280 294 T C 0.160 174.591 174.700 -0.449 0.000 0.987 294 T CA -0.229 61.712 62.100 -0.266 0.000 0.966 294 T CB 1.194 69.982 68.868 -0.134 0.000 0.933 294 T HN 0.593 nan 8.240 nan 0.000 0.442 295 S N 1.382 116.774 115.700 -0.514 0.000 2.759 295 S HA 0.687 5.157 4.470 -0.000 0.000 0.310 295 S C -1.369 172.883 174.600 -0.581 0.000 1.123 295 S CA -0.866 56.871 58.200 -0.770 0.000 0.959 295 S CB 0.858 63.803 63.200 -0.425 0.000 1.172 295 S HN 0.665 nan 8.310 nan 0.000 0.539 296 Y N 0.734 121.029 120.300 -0.010 0.000 2.326 296 Y HA 0.487 5.036 4.550 -0.000 0.000 0.331 296 Y C -0.129 175.807 175.900 0.060 0.000 0.962 296 Y CA -0.643 57.463 58.100 0.010 0.000 1.167 296 Y CB 1.011 39.468 38.460 -0.006 0.000 1.148 296 Y HN 0.396 nan 8.280 nan 0.000 0.463 297 M N 4.951 124.672 119.600 0.202 0.000 2.094 297 M HA 0.392 4.872 4.480 -0.000 0.000 0.348 297 M C -1.545 174.815 176.300 0.101 0.000 1.267 297 M CA -0.538 54.813 55.300 0.084 0.000 1.125 297 M CB 0.196 32.816 32.600 0.035 0.000 1.527 297 M HN 0.486 nan 8.290 nan 0.000 0.447 298 V N 6.994 126.889 119.914 -0.031 0.000 2.318 298 V HA 0.122 4.242 4.120 -0.000 0.000 0.271 298 V C -0.238 175.817 176.094 -0.064 0.000 1.030 298 V CA -0.244 62.064 62.300 0.013 0.000 0.844 298 V CB 0.714 32.538 31.823 0.003 0.000 1.015 298 V HN 0.826 nan 8.190 nan 0.000 0.460 299 Y N 2.015 122.277 120.300 -0.065 0.000 2.347 299 Y HA 0.190 4.740 4.550 -0.000 0.000 0.294 299 Y C 1.425 177.300 175.900 -0.043 0.000 1.117 299 Y CA 0.530 58.602 58.100 -0.047 0.000 1.184 299 Y CB 0.381 38.856 38.460 0.025 0.000 1.047 299 Y HN 0.519 nan 8.280 nan 0.000 0.546 300 N N 0.349 119.119 118.700 0.115 0.000 2.448 300 N HA 0.109 4.849 4.740 -0.000 0.000 0.279 300 N C 0.176 175.686 175.510 0.000 0.000 1.025 300 N CA -0.098 52.976 53.050 0.040 0.000 0.898 300 N CB 1.217 39.718 38.487 0.024 0.000 1.303 300 N HN 0.072 nan 8.380 nan 0.000 0.495 301 K N 0.935 121.330 120.400 -0.008 0.000 2.360 301 K HA -0.021 4.298 4.320 -0.000 0.000 0.201 301 K C 0.570 177.151 176.600 -0.031 0.000 1.046 301 K CA 1.204 57.479 56.287 -0.020 0.000 0.945 301 K CB 0.338 32.829 32.500 -0.014 0.000 0.750 301 K HN 0.516 nan 8.250 nan 0.000 0.464 302 T N -0.222 114.314 114.554 -0.029 0.000 3.014 302 T HA 0.187 4.537 4.350 -0.000 0.000 0.250 302 T C 0.755 175.426 174.700 -0.048 0.000 1.060 302 T CA -0.060 62.019 62.100 -0.035 0.000 1.040 302 T CB 0.423 69.276 68.868 -0.025 0.000 0.971 302 T HN 0.158 nan 8.240 nan 0.000 0.497 303 A N 1.630 124.418 122.820 -0.053 0.000 2.292 303 A HA 0.754 5.074 4.320 -0.000 0.000 0.265 303 A C 0.723 178.250 177.584 -0.096 0.000 1.133 303 A CA -0.378 51.617 52.037 -0.070 0.000 0.807 303 A CB -0.300 18.655 19.000 -0.074 0.000 1.102 303 A HN 0.481 nan 8.150 nan 0.000 0.502 304 A N -0.164 122.591 122.820 -0.108 0.000 2.488 304 A HA 0.483 4.803 4.320 -0.000 0.000 0.249 304 A C 0.198 177.681 177.584 -0.169 0.000 1.083 304 A CA -0.254 51.707 52.037 -0.127 0.000 0.768 304 A CB -0.516 18.416 19.000 -0.113 0.000 1.017 304 A HN 0.708 nan 8.150 nan 0.000 0.496 305 L N 4.497 125.586 121.223 -0.223 0.000 2.453 305 L HA 0.212 4.552 4.340 -0.000 0.000 0.272 305 L C -1.562 175.152 176.870 -0.261 0.000 1.182 305 L CA -1.365 53.260 54.840 -0.358 0.000 0.858 305 L CB 0.254 41.951 42.059 -0.603 0.000 1.120 305 L HN 0.565 nan 8.230 nan 0.000 0.474 306 P HA 0.077 nan 4.420 nan 0.000 0.271 306 P C -0.222 177.073 177.300 -0.008 0.000 1.216 306 P CA -0.369 62.692 63.100 -0.065 0.000 0.776 306 P CB 0.696 32.406 31.700 0.017 0.000 0.881 307 T N -0.483 114.048 114.554 -0.038 0.000 2.788 307 T HA 0.119 4.469 4.350 -0.000 0.000 0.280 307 T C 0.412 175.066 174.700 -0.076 0.000 0.984 307 T CA -0.712 61.364 62.100 -0.040 0.000 0.972 307 T CB 0.346 69.180 68.868 -0.057 0.000 1.039 307 T HN 0.480 nan 8.240 nan 0.000 0.530 308 Q N 0.985 120.691 119.800 -0.157 0.000 2.315 308 Q HA -0.044 4.296 4.340 -0.000 0.000 0.289 308 Q C 0.018 175.810 176.000 -0.348 0.000 1.044 308 Q CA 0.107 55.745 55.803 -0.276 0.000 0.920 308 Q CB 0.206 28.703 28.738 -0.401 0.000 1.214 308 Q HN 0.723 nan 8.270 nan 0.000 0.392 309 N N 4.351 122.947 118.700 -0.174 0.000 2.415 309 N HA 0.068 4.808 4.740 -0.000 0.000 0.246 309 N C -1.347 174.229 175.510 0.110 0.000 1.078 309 N CA -0.126 52.931 53.050 0.010 0.000 0.942 309 N CB 0.368 38.980 38.487 0.209 0.000 1.140 309 N HN 0.468 nan 8.380 nan 0.000 0.501 310 Y N 2.071 122.479 120.300 0.180 0.000 2.377 310 Y HA 0.149 4.699 4.550 -0.000 0.000 0.330 310 Y C 0.655 176.609 175.900 0.089 0.000 1.108 310 Y CA -0.467 57.717 58.100 0.139 0.000 1.308 310 Y CB 1.181 39.684 38.460 0.073 0.000 1.216 310 Y HN 0.160 nan 8.280 nan 0.000 0.518 311 V N 3.277 123.307 119.914 0.194 0.000 2.581 311 V HA 0.070 4.189 4.120 -0.000 0.000 0.303 311 V C 0.222 176.266 176.094 -0.083 0.000 1.041 311 V CA -0.387 61.858 62.300 -0.091 0.000 0.907 311 V CB 1.985 33.484 31.823 -0.540 0.000 0.994 311 V HN 0.951 nan 8.190 nan 0.000 0.442 312 D N 2.785 123.119 120.400 -0.110 0.000 2.194 312 D HA 0.032 4.671 4.640 -0.000 0.000 0.204 312 D C 0.575 176.811 176.300 -0.107 0.000 0.964 312 D CA 1.187 55.137 54.000 -0.084 0.000 0.846 312 D CB 0.366 41.124 40.800 -0.069 0.000 0.962 312 D HN 0.488 nan 8.370 nan 0.000 0.490 313 S N -1.299 114.307 115.700 -0.157 0.000 2.533 313 S HA 0.340 4.810 4.470 -0.000 0.000 0.271 313 S C -0.271 174.203 174.600 -0.209 0.000 1.143 313 S CA -0.885 57.226 58.200 -0.148 0.000 0.891 313 S CB 0.928 64.064 63.200 -0.107 0.000 1.105 313 S HN 0.221 nan 8.310 nan 0.000 0.468 314 I N 0.426 120.875 120.570 -0.201 0.000 3.856 314 I HA 0.578 4.747 4.170 -0.000 0.000 0.333 314 I C -0.253 175.908 176.117 0.073 0.000 1.525 314 I CA -0.308 60.835 61.300 -0.262 0.000 1.173 314 I CB 0.154 37.746 38.000 -0.680 0.000 1.175 314 I HN 0.267 nan 8.210 nan 0.000 0.424 315 D N 0.904 121.328 120.400 0.039 0.000 2.433 315 D HA 0.109 4.748 4.640 -0.000 0.000 0.211 315 D C 0.644 176.812 176.300 -0.220 0.000 1.114 315 D CA 0.257 54.266 54.000 0.014 0.000 0.837 315 D CB 0.254 41.036 40.800 -0.029 0.000 0.984 315 D HN 0.370 nan 8.370 nan 0.000 0.505 316 N N 0.838 119.457 118.700 -0.135 0.000 2.275 316 N HA 0.067 4.807 4.740 -0.000 0.000 0.236 316 N C 0.174 175.618 175.510 -0.110 0.000 1.154 316 N CA -0.266 52.674 53.050 -0.183 0.000 0.866 316 N CB 0.460 38.883 38.487 -0.107 0.000 1.093 316 N HN 0.171 nan 8.380 nan 0.000 0.515 317 F N 0.287 120.283 119.950 0.078 0.000 2.539 317 F HA 0.209 4.736 4.527 -0.000 0.000 0.340 317 F C 0.893 176.784 175.800 0.151 0.000 1.185 317 F CA -1.327 56.757 58.000 0.139 0.000 1.333 317 F CB 0.259 39.408 39.000 0.249 0.000 1.152 317 F HN -0.167 nan 8.300 nan 0.000 0.602 318 L N 2.394 123.819 121.223 0.337 0.000 2.513 318 L HA 0.094 4.434 4.340 -0.000 0.000 0.272 318 L C -0.190 176.936 176.870 0.425 0.000 1.187 318 L CA 0.365 55.379 54.840 0.290 0.000 0.895 318 L CB -0.231 41.998 42.059 0.284 0.000 1.147 318 L HN 0.726 nan 8.230 nan 0.000 0.483 319 D N 3.602 124.207 120.400 0.343 0.000 2.365 319 D HA 0.030 4.670 4.640 -0.000 0.000 0.237 319 D C 0.688 177.272 176.300 0.474 0.000 1.190 319 D CA -0.256 54.018 54.000 0.457 0.000 0.867 319 D CB 0.792 41.859 40.800 0.446 0.000 1.050 319 D HN 0.686 nan 8.370 nan 0.000 0.491 320 D N 3.161 123.833 120.400 0.454 0.000 2.311 320 D HA -0.242 4.398 4.640 -0.000 0.000 0.212 320 D C 1.718 178.148 176.300 0.217 0.000 0.972 320 D CA 0.223 54.431 54.000 0.347 0.000 0.887 320 D CB -0.606 40.398 40.800 0.339 0.000 0.915 320 D HN 0.445 nan 8.370 nan 0.000 0.497 321 F N 0.876 120.855 119.950 0.049 0.000 2.202 321 F HA -0.188 4.338 4.527 -0.000 0.000 0.301 321 F C 1.229 176.882 175.800 -0.246 0.000 1.082 321 F CA 1.149 59.048 58.000 -0.168 0.000 1.313 321 F CB -0.243 38.555 39.000 -0.336 0.000 1.024 321 F HN -0.123 nan 8.300 nan 0.000 0.495 322 Y N -0.418 119.947 120.300 0.108 0.000 2.468 322 Y HA 0.204 4.754 4.550 -0.000 0.000 0.268 322 Y C 0.430 176.336 175.900 0.010 0.000 1.177 322 Y CA -0.859 57.254 58.100 0.022 0.000 1.265 322 Y CB -0.345 38.194 38.460 0.132 0.000 1.103 322 Y HN -0.186 nan 8.280 nan 0.000 0.522 323 L N 1.175 122.467 121.223 0.115 0.000 2.483 323 L HA 0.039 4.379 4.340 -0.000 0.000 0.276 323 L C -0.049 176.837 176.870 0.027 0.000 1.213 323 L CA 0.145 55.038 54.840 0.089 0.000 0.843 323 L CB 0.447 42.555 42.059 0.082 0.000 1.107 323 L HN 0.257 nan 8.230 nan 0.000 0.487 324 Q N 4.459 124.289 119.800 0.050 0.000 2.363 324 Q HA 0.367 4.707 4.340 -0.000 0.000 0.265 324 Q C -2.264 173.758 176.000 0.036 0.000 1.032 324 Q CA -1.873 53.947 55.803 0.027 0.000 0.746 324 Q CB 1.592 30.349 28.738 0.032 0.000 1.237 324 Q HN 0.390 nan 8.270 nan 0.000 0.475 325 P HA -0.136 nan 4.420 nan 0.000 0.265 325 P C -0.413 176.915 177.300 0.047 0.000 1.187 325 P CA 0.275 63.398 63.100 0.038 0.000 0.766 325 P CB 0.473 32.178 31.700 0.008 0.000 0.820 326 Y N 2.735 123.017 120.300 -0.030 0.000 2.181 326 Y HA -0.141 4.408 4.550 -0.000 0.000 0.288 326 Y C 0.718 176.576 175.900 -0.070 0.000 1.146 326 Y CA 1.458 59.523 58.100 -0.058 0.000 1.164 326 Y CB 0.050 38.451 38.460 -0.098 0.000 0.982 326 Y HN 0.380 nan 8.280 nan 0.000 0.515 327 E N 1.969 122.212 120.200 0.072 0.000 1.941 327 E HA 0.101 4.450 4.350 -0.000 0.000 0.275 327 E C -0.614 175.957 176.600 -0.049 0.000 1.113 327 E CA -0.203 56.193 56.400 -0.006 0.000 0.878 327 E CB 0.345 30.083 29.700 0.064 0.000 1.070 327 E HN 0.211 nan 8.360 nan 0.000 0.399 328 K N 2.754 123.071 120.400 -0.138 0.000 2.451 328 K HA 0.067 4.387 4.320 -0.000 0.000 0.280 328 K C -0.128 176.452 176.600 -0.032 0.000 1.020 328 K CA 0.539 56.728 56.287 -0.163 0.000 1.008 328 K CB 0.513 32.751 32.500 -0.436 0.000 0.917 328 K HN 0.429 nan 8.250 nan 0.000 0.478 329 E N 1.369 121.605 120.200 0.059 0.000 2.224 329 E HA 0.281 4.631 4.350 -0.000 0.000 0.265 329 E C -1.005 175.675 176.600 0.134 0.000 0.878 329 E CA -0.759 55.677 56.400 0.061 0.000 0.759 329 E CB 1.908 31.572 29.700 -0.060 0.000 1.164 329 E HN 0.660 nan 8.360 nan 0.000 0.414 330 A N 3.535 126.426 122.820 0.118 0.000 2.483 330 A HA 0.090 4.410 4.320 -0.000 0.000 0.238 330 A C 0.385 177.811 177.584 -0.263 0.000 1.070 330 A CA -0.173 51.775 52.037 -0.149 0.000 0.770 330 A CB 0.095 19.013 19.000 -0.136 0.000 1.008 330 A HN 0.842 nan 8.150 nan 0.000 0.497 331 I N 1.914 122.314 120.570 -0.284 0.000 2.906 331 I HA -0.040 4.129 4.170 -0.000 0.000 0.302 331 I C -0.216 175.798 176.117 -0.172 0.000 1.220 331 I CA 0.202 61.357 61.300 -0.242 0.000 1.441 331 I CB 0.122 38.042 38.000 -0.132 0.000 1.336 331 I HN 0.621 nan 8.210 nan 0.000 0.565 332 Y N 6.019 126.284 120.300 -0.058 0.000 2.480 332 Y HA 0.219 4.768 4.550 -0.000 0.000 0.338 332 Y C 1.417 177.288 175.900 -0.048 0.000 1.220 332 Y CA -0.084 57.983 58.100 -0.054 0.000 1.430 332 Y CB 0.394 38.810 38.460 -0.074 0.000 1.311 332 Y HN 0.701 nan 8.280 nan 0.000 0.575 333 G N 1.473 110.362 108.800 0.150 0.000 2.647 333 G HA2 0.010 3.970 3.960 -0.000 0.000 0.271 333 G HA3 0.010 3.970 3.960 -0.000 0.000 0.271 333 G C -0.478 174.455 174.900 0.055 0.000 1.300 333 G CA -0.771 44.376 45.100 0.078 0.000 0.997 333 G HN 0.566 nan 8.290 nan 0.000 0.533 334 E N 0.774 121.002 120.200 0.047 0.000 2.529 334 E HA 0.033 4.383 4.350 -0.000 0.000 0.259 334 E C -1.913 174.685 176.600 -0.003 0.000 0.966 334 E CA -0.620 55.803 56.400 0.038 0.000 0.937 334 E CB 0.377 30.105 29.700 0.048 0.000 0.923 334 E HN 0.097 nan 8.360 nan 0.000 0.468 335 P HA 0.016 nan 4.420 nan 0.000 0.268 335 P C 0.112 177.378 177.300 -0.056 0.000 1.204 335 P CA 0.037 63.092 63.100 -0.075 0.000 0.768 335 P CB 0.575 32.221 31.700 -0.091 0.000 0.842 336 D N -0.136 120.219 120.400 -0.076 0.000 2.289 336 D HA -0.059 4.581 4.640 -0.000 0.000 0.207 336 D C 0.241 176.523 176.300 -0.029 0.000 0.966 336 D CA 1.430 55.398 54.000 -0.054 0.000 0.868 336 D CB 0.114 40.876 40.800 -0.064 0.000 0.943 336 D HN 0.433 nan 8.370 nan 0.000 0.514 337 H N 0.361 119.336 119.070 -0.157 0.000 3.018 337 H HA 0.342 4.898 4.556 -0.000 0.000 0.334 337 H C -1.524 173.681 175.328 -0.205 0.000 0.983 337 H CA -0.552 55.398 56.048 -0.164 0.000 1.363 337 H CB 0.970 30.618 29.762 -0.189 0.000 1.668 337 H HN -0.343 nan 8.280 nan 0.000 0.513 338 V N 7.675 127.667 119.914 0.131 0.000 2.370 338 V HA 0.335 4.454 4.120 -0.000 0.000 0.283 338 V C 0.456 176.497 176.094 -0.088 0.000 1.023 338 V CA -0.550 61.728 62.300 -0.036 0.000 0.857 338 V CB 1.289 33.103 31.823 -0.014 0.000 0.985 338 V HN 0.584 nan 8.190 nan 0.000 0.443 339 I N 4.191 124.578 120.570 -0.305 0.000 2.330 339 I HA 0.364 4.534 4.170 -0.000 0.000 0.289 339 I C 0.085 176.001 176.117 -0.336 0.000 1.001 339 I CA -0.105 60.919 61.300 -0.460 0.000 1.193 339 I CB 1.610 39.079 38.000 -0.886 0.000 1.345 339 I HN 0.472 nan 8.210 nan 0.000 0.461 340 T N 6.392 120.831 114.554 -0.193 0.000 2.756 340 T HA 0.463 4.813 4.350 -0.000 0.000 0.290 340 T C -0.163 174.497 174.700 -0.067 0.000 0.985 340 T CA -0.521 61.519 62.100 -0.100 0.000 0.955 340 T CB 1.201 70.070 68.868 0.001 0.000 0.930 340 T HN 0.421 nan 8.240 nan 0.000 0.451 341 V N 0.577 120.435 119.914 -0.094 0.000 2.540 341 V HA 0.732 4.851 4.120 -0.000 0.000 0.302 341 V C -1.066 175.087 176.094 0.099 0.000 1.035 341 V CA -1.152 61.158 62.300 0.016 0.000 0.873 341 V CB 1.983 33.723 31.823 -0.138 0.000 0.992 341 V HN 0.554 nan 8.190 nan 0.000 0.428 342 D N 3.085 123.592 120.400 0.179 0.000 2.168 342 D HA 0.607 5.246 4.640 -0.000 0.000 0.246 342 D C -0.379 176.046 176.300 0.209 0.000 1.050 342 D CA -0.115 53.975 54.000 0.151 0.000 0.857 342 D CB 2.063 42.929 40.800 0.109 0.000 1.169 342 D HN 0.557 nan 8.370 nan 0.000 0.453 343 V N 2.872 122.867 119.914 0.134 0.000 2.370 343 V HA 0.540 4.660 4.120 -0.000 0.000 0.279 343 V C -0.119 176.016 176.094 0.068 0.000 1.029 343 V CA -0.476 61.866 62.300 0.071 0.000 0.870 343 V CB 1.506 33.330 31.823 0.002 0.000 0.984 343 V HN 0.314 nan 8.190 nan 0.000 0.451 344 V N 6.504 126.480 119.914 0.102 0.000 3.087 344 V HA 0.603 4.723 4.120 -0.000 0.000 0.306 344 V C -0.967 175.256 176.094 0.214 0.000 1.187 344 V CA -0.702 61.672 62.300 0.124 0.000 0.999 344 V CB 2.627 34.503 31.823 0.088 0.000 1.049 344 V HN 0.858 nan 8.190 nan 0.000 0.431 345 M N 4.372 124.075 119.600 0.171 0.000 2.264 345 M HA 0.674 5.153 4.480 -0.000 0.000 0.352 345 M C -0.743 175.693 176.300 0.226 0.000 1.173 345 M CA 0.242 55.669 55.300 0.211 0.000 1.075 345 M CB 1.141 33.805 32.600 0.106 0.000 1.621 345 M HN 0.699 nan 8.290 nan 0.000 0.457 346 D N 0.745 121.368 120.400 0.371 0.000 2.623 346 D HA 0.354 4.993 4.640 -0.000 0.000 0.241 346 D C -1.425 175.074 176.300 0.331 0.000 1.241 346 D CA -0.442 53.703 54.000 0.242 0.000 0.788 346 D CB 1.691 42.506 40.800 0.025 0.000 1.413 346 D HN 0.494 nan 8.370 nan 0.000 0.429 347 N N 1.263 120.078 118.700 0.191 0.000 2.518 347 N HA 0.403 5.143 4.740 -0.000 0.000 0.283 347 N C -0.252 175.536 175.510 0.464 0.000 1.119 347 N CA -0.178 53.026 53.050 0.257 0.000 0.983 347 N CB 1.443 40.049 38.487 0.198 0.000 1.139 347 N HN 0.325 nan 8.380 nan 0.000 0.465 348 L N 1.020 122.478 121.223 0.391 0.000 2.421 348 L HA 0.333 4.673 4.340 -0.000 0.000 0.267 348 L C 1.911 178.814 176.870 0.055 0.000 1.036 348 L CA -0.728 54.293 54.840 0.302 0.000 0.829 348 L CB 0.734 43.026 42.059 0.388 0.000 1.437 348 L HN 0.467 nan 8.230 nan 0.000 0.488 349 K N 0.596 120.980 120.400 -0.027 0.000 2.152 349 K HA -0.185 4.135 4.320 -0.000 0.000 0.206 349 K C 1.430 177.989 176.600 -0.069 0.000 1.048 349 K CA 1.789 58.005 56.287 -0.120 0.000 0.933 349 K CB -0.023 32.430 32.500 -0.079 0.000 0.721 349 K HN 0.663 nan 8.250 nan 0.000 0.447 350 N N -0.613 118.090 118.700 0.005 0.000 2.521 350 N HA -0.033 4.706 4.740 -0.000 0.000 0.188 350 N C 1.053 176.539 175.510 -0.041 0.000 1.146 350 N CA 1.179 54.226 53.050 -0.005 0.000 0.893 350 N CB 0.151 38.664 38.487 0.043 0.000 0.975 350 N HN 0.297 nan 8.380 nan 0.000 0.451 351 G N -0.739 108.042 108.800 -0.031 0.000 2.199 351 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.254 351 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.254 351 G C 0.063 174.914 174.900 -0.082 0.000 0.982 351 G CA 0.573 45.648 45.100 -0.043 0.000 0.632 351 G HN 0.875 nan 8.290 nan 0.000 0.529 352 V N -1.455 118.376 119.914 -0.140 0.000 2.997 352 V HA 0.717 4.837 4.120 -0.000 0.000 0.311 352 V C 0.461 176.326 176.094 -0.382 0.000 1.066 352 V CA -0.720 61.392 62.300 -0.313 0.000 1.039 352 V CB 1.891 33.447 31.823 -0.444 0.000 1.081 352 V HN 0.342 nan 8.190 nan 0.000 0.467 353 N N 1.760 120.192 118.700 -0.446 0.000 2.426 353 N HA 0.344 5.084 4.740 -0.000 0.000 0.257 353 N C -1.492 173.765 175.510 -0.422 0.000 1.002 353 N CA -0.265 52.608 53.050 -0.295 0.000 0.942 353 N CB 0.732 39.099 38.487 -0.201 0.000 1.112 353 N HN 0.779 nan 8.380 nan 0.000 0.499 354 Y N 0.867 121.152 120.300 -0.025 0.000 2.534 354 Y HA 0.588 5.137 4.550 -0.000 0.000 0.329 354 Y C 0.520 176.281 175.900 -0.231 0.000 1.154 354 Y CA -1.004 56.980 58.100 -0.193 0.000 1.192 354 Y CB 1.561 39.789 38.460 -0.386 0.000 1.275 354 Y HN 0.478 nan 8.280 nan 0.000 0.491 355 A N 1.523 124.246 122.820 -0.162 0.000 2.324 355 A HA 0.805 5.125 4.320 -0.000 0.000 0.330 355 A C -1.707 175.641 177.584 -0.394 0.000 1.165 355 A CA -0.448 51.499 52.037 -0.150 0.000 0.813 355 A CB 0.258 19.209 19.000 -0.081 0.000 1.197 355 A HN 0.564 nan 8.150 nan 0.000 0.484 356 F N 0.281 120.230 119.950 -0.001 0.000 2.540 356 F HA 0.505 5.031 4.527 -0.000 0.000 0.317 356 F C -0.546 175.266 175.800 0.021 0.000 1.104 356 F CA -0.388 57.644 58.000 0.055 0.000 0.913 356 F CB 1.987 41.043 39.000 0.093 0.000 1.170 356 F HN 0.500 nan 8.300 nan 0.000 0.450 357 F N 3.991 124.185 119.950 0.407 0.000 2.391 357 F HA 0.268 4.795 4.527 -0.000 0.000 0.359 357 F C 0.844 176.917 175.800 0.455 0.000 1.122 357 F CA -0.370 57.853 58.000 0.371 0.000 1.120 357 F CB 0.594 39.797 39.000 0.338 0.000 1.142 357 F HN 0.612 nan 8.300 nan 0.000 0.483 358 N N 1.838 120.847 118.700 0.514 0.000 1.518 358 N HA -0.363 4.377 4.740 -0.000 0.000 0.146 358 N C 0.565 176.225 175.510 0.251 0.000 0.621 358 N CA 1.910 55.157 53.050 0.327 0.000 1.108 358 N CB -0.890 37.791 38.487 0.323 0.000 1.310 358 N HN 0.712 nan 8.380 nan 0.000 0.457 359 N N 2.026 120.843 118.700 0.195 0.000 2.273 359 N HA 0.270 5.009 4.740 -0.000 0.000 0.231 359 N C -0.401 175.267 175.510 0.264 0.000 1.134 359 N CA 0.128 53.249 53.050 0.118 0.000 0.856 359 N CB 0.131 38.630 38.487 0.021 0.000 1.068 359 N HN 0.575 nan 8.380 nan 0.000 0.510 360 I N 0.463 121.263 120.570 0.383 0.000 2.466 360 I HA 0.211 4.380 4.170 -0.000 0.000 0.289 360 I C -0.480 175.834 176.117 0.329 0.000 1.026 360 I CA -0.562 60.909 61.300 0.284 0.000 1.078 360 I CB 2.228 40.208 38.000 -0.034 0.000 1.249 360 I HN -0.179 nan 8.210 nan 0.000 0.429 361 T N 5.120 119.707 114.554 0.055 0.000 2.799 361 T HA 0.195 4.544 4.350 -0.000 0.000 0.286 361 T C -0.493 174.225 174.700 0.030 0.000 0.973 361 T CA -0.146 61.858 62.100 -0.161 0.000 1.035 361 T CB 0.272 68.796 68.868 -0.574 0.000 0.932 361 T HN 0.287 nan 8.240 nan 0.000 0.469 362 Y N 3.797 124.148 120.300 0.085 0.000 2.729 362 Y HA 0.157 4.707 4.550 -0.000 0.000 0.331 362 Y C 0.223 176.150 175.900 0.044 0.000 1.208 362 Y CA 0.263 58.453 58.100 0.150 0.000 1.521 362 Y CB 0.114 38.750 38.460 0.294 0.000 1.233 362 Y HN 0.509 nan 8.280 nan 0.000 0.539 363 T N 7.118 121.254 114.554 -0.696 0.000 2.864 363 T HA 0.604 4.954 4.350 -0.000 0.000 0.299 363 T C -0.238 173.949 174.700 -0.856 0.000 1.011 363 T CA -0.400 61.336 62.100 -0.606 0.000 0.975 363 T CB 0.699 69.358 68.868 -0.347 0.000 0.962 363 T HN 0.917 nan 8.240 nan 0.000 0.448 364 A N 5.974 128.338 122.820 -0.761 0.000 2.584 364 A HA 0.413 4.733 4.320 -0.000 0.000 0.239 364 A C -1.686 175.605 177.584 -0.489 0.000 1.043 364 A CA -0.580 51.124 52.037 -0.554 0.000 0.756 364 A CB -0.377 18.387 19.000 -0.393 0.000 0.963 364 A HN 0.529 nan 8.150 nan 0.000 0.511 365 P HA 0.260 nan 4.420 nan 0.000 0.277 365 P C 0.048 177.183 177.300 -0.275 0.000 1.271 365 P CA -0.423 62.542 63.100 -0.226 0.000 0.795 365 P CB 0.766 32.431 31.700 -0.059 0.000 1.101 366 K N -0.807 119.509 120.400 -0.140 0.000 2.366 366 K HA 0.133 4.453 4.320 -0.000 0.000 0.198 366 K C 0.089 176.739 176.600 0.083 0.000 1.044 366 K CA 0.666 56.910 56.287 -0.072 0.000 0.973 366 K CB 0.076 32.545 32.500 -0.052 0.000 0.767 366 K HN 0.200 nan 8.250 nan 0.000 0.475 367 V N 2.145 122.124 119.914 0.109 0.000 2.638 367 V HA 0.218 4.338 4.120 -0.000 0.000 0.306 367 V C -2.601 173.614 176.094 0.203 0.000 1.052 367 V CA -2.514 59.880 62.300 0.156 0.000 0.885 367 V CB 1.810 33.672 31.823 0.065 0.000 0.999 367 V HN -0.086 nan 8.190 nan 0.000 0.424 368 P HA 0.087 nan 4.420 nan 0.000 0.264 368 P C 1.105 178.459 177.300 0.090 0.000 1.183 368 P CA 0.373 63.563 63.100 0.150 0.000 0.763 368 P CB 0.493 32.187 31.700 -0.010 0.000 0.807 369 T N 2.550 117.153 114.554 0.082 0.000 2.592 369 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 369 T C 1.607 176.346 174.700 0.065 0.000 1.060 369 T CA 1.516 63.671 62.100 0.093 0.000 1.167 369 T CB -0.730 68.135 68.868 -0.006 0.000 0.863 369 T HN 0.301 nan 8.240 nan 0.000 0.431 370 L N 0.293 121.499 121.223 -0.028 0.000 2.042 370 L HA -0.046 4.294 4.340 -0.000 0.000 0.210 370 L C 2.297 179.158 176.870 -0.014 0.000 1.076 370 L CA 1.805 56.614 54.840 -0.052 0.000 0.749 370 L CB -0.715 41.283 42.059 -0.101 0.000 0.893 370 L HN 0.162 nan 8.230 nan 0.000 0.432 371 M N -0.928 118.670 119.600 -0.004 0.000 2.202 371 M HA -0.170 4.310 4.480 -0.000 0.000 0.262 371 M C 2.257 178.559 176.300 0.004 0.000 1.063 371 M CA 2.184 57.483 55.300 -0.001 0.000 1.097 371 M CB -0.930 31.673 32.600 0.004 0.000 1.382 371 M HN 0.593 nan 8.290 nan 0.000 0.413 372 T N -2.084 112.483 114.554 0.023 0.000 2.851 372 T HA -0.064 4.286 4.350 -0.000 0.000 0.262 372 T C 1.876 176.568 174.700 -0.014 0.000 1.043 372 T CA 1.296 63.387 62.100 -0.014 0.000 1.140 372 T CB -0.865 67.967 68.868 -0.060 0.000 0.872 372 T HN 0.254 nan 8.240 nan 0.000 0.446 373 V N 1.250 121.210 119.914 0.077 0.000 2.490 373 V HA 0.059 4.179 4.120 -0.000 0.000 0.250 373 V C 2.300 178.396 176.094 0.004 0.000 1.061 373 V CA 1.716 64.056 62.300 0.067 0.000 1.064 373 V CB -0.859 31.022 31.823 0.098 0.000 0.670 373 V HN 0.610 nan 8.190 nan 0.000 0.461 374 L N 1.218 122.437 121.223 -0.006 0.000 2.610 374 L HA 0.118 4.458 4.340 -0.000 0.000 0.232 374 L C 1.640 178.503 176.870 -0.012 0.000 1.149 374 L CA 1.067 55.898 54.840 -0.015 0.000 0.872 374 L CB -0.219 41.823 42.059 -0.030 0.000 0.992 374 L HN 0.693 nan 8.230 nan 0.000 0.447 375 S N -3.832 111.860 115.700 -0.014 0.000 2.993 375 S HA 0.043 4.513 4.470 -0.000 0.000 0.257 375 S C 1.157 175.744 174.600 -0.023 0.000 0.997 375 S CA 0.049 58.239 58.200 -0.015 0.000 1.191 375 S CB 0.204 63.393 63.200 -0.018 0.000 1.143 375 S HN 0.255 nan 8.310 nan 0.000 0.655 376 S N 0.710 116.392 115.700 -0.030 0.000 2.535 376 S HA 0.551 5.021 4.470 -0.000 0.000 0.214 376 S C 1.626 176.229 174.600 0.004 0.000 0.980 376 S CA 0.503 58.677 58.200 -0.043 0.000 0.907 376 S CB -0.406 62.729 63.200 -0.109 0.000 0.790 376 S HN 1.376 nan 8.310 nan 0.000 0.510 377 G N 3.174 111.996 108.800 0.037 0.000 2.602 377 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.310 377 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.310 377 G C 0.270 175.282 174.900 0.187 0.000 1.183 377 G CA 0.648 45.800 45.100 0.087 0.000 0.979 377 G HN 0.498 nan 8.290 nan 0.000 0.545 378 D N 0.998 121.503 120.400 0.176 0.000 2.349 378 D HA 0.052 4.691 4.640 -0.000 0.000 0.224 378 D C 2.036 178.505 176.300 0.282 0.000 1.029 378 D CA 0.818 54.981 54.000 0.272 0.000 0.879 378 D CB 0.341 41.206 40.800 0.108 0.000 0.906 378 D HN 0.553 nan 8.370 nan 0.000 0.528 379 Q N -0.042 119.842 119.800 0.140 0.000 2.280 379 Q HA 0.221 4.561 4.340 -0.000 0.000 0.201 379 Q C 1.559 177.554 176.000 -0.008 0.000 0.890 379 Q CA -0.211 55.630 55.803 0.063 0.000 0.947 379 Q CB 0.448 29.185 28.738 -0.002 0.000 1.081 379 Q HN 0.120 nan 8.270 nan 0.000 0.502 380 A N 0.515 123.311 122.820 -0.040 0.000 2.172 380 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 380 A C 1.618 179.122 177.584 -0.134 0.000 1.154 380 A CA 1.178 53.134 52.037 -0.135 0.000 0.701 380 A CB -0.223 18.632 19.000 -0.242 0.000 0.789 380 A HN 0.294 nan 8.150 nan 0.000 0.465 381 N N 0.124 118.734 118.700 -0.150 0.000 2.446 381 N HA -0.048 4.692 4.740 -0.000 0.000 0.179 381 N C 0.163 175.720 175.510 0.078 0.000 1.054 381 N CA 0.142 53.170 53.050 -0.035 0.000 0.905 381 N CB -0.326 38.264 38.487 0.171 0.000 0.973 381 N HN 0.381 nan 8.380 nan 0.000 0.448 382 N N -0.143 118.602 118.700 0.075 0.000 2.406 382 N HA 0.032 4.772 4.740 -0.000 0.000 0.251 382 N C 0.773 176.347 175.510 0.108 0.000 1.069 382 N CA 0.039 53.128 53.050 0.066 0.000 0.947 382 N CB 0.778 39.279 38.487 0.023 0.000 1.111 382 N HN 0.126 nan 8.380 nan 0.000 0.497 383 S N 2.361 118.140 115.700 0.133 0.000 2.442 383 S HA -0.155 4.315 4.470 -0.000 0.000 0.236 383 S C 1.428 176.118 174.600 0.150 0.000 1.007 383 S CA 0.724 59.043 58.200 0.198 0.000 0.965 383 S CB -0.267 62.989 63.200 0.093 0.000 0.773 383 S HN 0.753 nan 8.310 nan 0.000 0.504 384 E N 1.489 121.717 120.200 0.048 0.000 2.118 384 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 384 E C 1.952 178.525 176.600 -0.044 0.000 0.992 384 E CA 1.525 57.925 56.400 -0.001 0.000 0.804 384 E CB -0.389 29.301 29.700 -0.017 0.000 0.741 384 E HN 0.909 nan 8.360 nan 0.000 0.458 385 I N -2.228 118.262 120.570 -0.132 0.000 2.830 385 I HA -0.165 4.005 4.170 -0.000 0.000 0.263 385 I C 1.242 177.161 176.117 -0.330 0.000 1.230 385 I CA 0.975 62.114 61.300 -0.268 0.000 1.480 385 I CB -0.276 37.490 38.000 -0.389 0.000 1.095 385 I HN 0.011 nan 8.210 nan 0.000 0.455 386 Y N 2.436 122.710 120.300 -0.044 0.000 2.511 386 Y HA 0.465 5.015 4.550 -0.000 0.000 0.279 386 Y C 1.437 177.312 175.900 -0.042 0.000 1.157 386 Y CA 0.383 58.459 58.100 -0.040 0.000 1.300 386 Y CB -0.006 38.431 38.460 -0.039 0.000 1.052 386 Y HN 0.401 nan 8.280 nan 0.000 0.529 387 G N -0.322 108.511 108.800 0.055 0.000 2.587 387 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.686 387 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.686 387 G C 0.407 175.300 174.900 -0.012 0.000 1.236 387 G CA -0.255 44.845 45.100 0.001 0.000 0.820 387 G HN 0.221 nan 8.290 nan 0.000 0.645 388 S N -1.023 114.652 115.700 -0.043 0.000 2.492 388 S HA 0.119 4.589 4.470 -0.000 0.000 0.218 388 S C 1.132 175.687 174.600 -0.076 0.000 1.016 388 S CA 1.011 59.175 58.200 -0.059 0.000 0.916 388 S CB 0.290 63.457 63.200 -0.056 0.000 0.791 388 S HN 0.688 nan 8.310 nan 0.000 0.513 389 N N 0.218 118.871 118.700 -0.078 0.000 2.328 389 N HA 0.289 5.029 4.740 -0.000 0.000 0.247 389 N C 0.446 175.895 175.510 -0.101 0.000 1.165 389 N CA 0.113 53.107 53.050 -0.094 0.000 0.873 389 N CB 0.529 38.944 38.487 -0.120 0.000 1.125 389 N HN 0.252 nan 8.380 nan 0.000 0.513 390 T N -1.793 112.749 114.554 -0.020 0.000 2.975 390 T HA 0.055 4.405 4.350 -0.000 0.000 0.257 390 T C -0.144 174.764 174.700 0.347 0.000 1.003 390 T CA -0.042 62.102 62.100 0.072 0.000 0.932 390 T CB -0.138 68.766 68.868 0.060 0.000 1.087 390 T HN 0.413 nan 8.240 nan 0.000 0.512 391 H N 1.478 120.615 119.070 0.111 0.000 2.591 391 H HA -0.127 4.428 4.556 -0.000 0.000 0.325 391 H C -0.930 174.362 175.328 -0.060 0.000 1.096 391 H CA 0.412 56.490 56.048 0.050 0.000 1.108 391 H CB -0.984 28.937 29.762 0.266 0.000 1.590 391 H HN 0.181 nan 8.280 nan 0.000 0.399 392 T N 2.432 116.944 114.554 -0.069 0.000 2.795 392 T HA 0.438 4.787 4.350 -0.000 0.000 0.282 392 T C -0.219 174.237 174.700 -0.406 0.000 0.980 392 T CA -0.300 61.722 62.100 -0.130 0.000 1.012 392 T CB 0.588 69.409 68.868 -0.077 0.000 0.936 392 T HN 0.231 nan 8.240 nan 0.000 0.457 393 F N 2.104 122.054 119.950 0.000 0.000 2.522 393 F HA 0.610 5.137 4.527 -0.000 0.000 0.324 393 F C 0.211 175.980 175.800 -0.053 0.000 1.077 393 F CA -1.170 56.829 58.000 -0.002 0.000 0.944 393 F CB 1.303 40.269 39.000 -0.056 0.000 1.175 393 F HN 0.310 nan 8.300 nan 0.000 0.468 394 I N 4.060 124.744 120.570 0.190 0.000 2.354 394 I HA 0.354 4.524 4.170 -0.000 0.000 0.292 394 I C -0.804 175.409 176.117 0.159 0.000 0.989 394 I CA -0.539 60.811 61.300 0.082 0.000 1.188 394 I CB 1.276 39.296 38.000 0.033 0.000 1.342 394 I HN 0.313 nan 8.210 nan 0.000 0.457 395 L N 5.506 126.780 121.223 0.084 0.000 2.325 395 L HA 0.486 4.826 4.340 -0.000 0.000 0.278 395 L C 0.184 177.097 176.870 0.071 0.000 1.023 395 L CA -0.865 54.028 54.840 0.088 0.000 0.811 395 L CB 1.369 43.442 42.059 0.022 0.000 1.249 395 L HN 0.499 nan 8.230 nan 0.000 0.431 396 E N 1.440 121.683 120.200 0.071 0.000 2.318 396 E HA 0.094 4.444 4.350 -0.000 0.000 0.265 396 E C 0.600 177.221 176.600 0.035 0.000 1.069 396 E CA -0.345 56.087 56.400 0.054 0.000 0.893 396 E CB 1.443 31.168 29.700 0.042 0.000 1.076 396 E HN 0.482 nan 8.360 nan 0.000 0.414 397 K N 0.995 121.426 120.400 0.053 0.000 2.067 397 K HA -0.239 4.081 4.320 -0.000 0.000 0.226 397 K C 0.694 177.306 176.600 0.020 0.000 1.046 397 K CA 2.267 58.583 56.287 0.049 0.000 0.967 397 K CB -0.077 32.455 32.500 0.054 0.000 0.749 397 K HN 0.268 nan 8.250 nan 0.000 0.456 398 D N 0.453 120.847 120.400 -0.010 0.000 2.620 398 D HA 0.040 4.679 4.640 -0.000 0.000 0.260 398 D C -0.677 175.564 176.300 -0.098 0.000 1.367 398 D CA -0.131 53.844 54.000 -0.043 0.000 0.805 398 D CB 0.278 41.060 40.800 -0.030 0.000 1.096 398 D HN 0.568 nan 8.370 nan 0.000 0.488 399 E N 0.410 120.550 120.200 -0.100 0.000 2.418 399 E HA 0.135 4.485 4.350 -0.000 0.000 0.261 399 E C -0.025 176.416 176.600 -0.265 0.000 1.070 399 E CA -0.060 56.256 56.400 -0.140 0.000 0.931 399 E CB 1.247 30.893 29.700 -0.089 0.000 0.954 399 E HN 0.055 nan 8.360 nan 0.000 0.439 400 I N 2.760 123.164 120.570 -0.277 0.000 2.337 400 I HA 0.081 4.250 4.170 -0.000 0.000 0.291 400 I C -0.608 175.261 176.117 -0.413 0.000 1.046 400 I CA -0.646 60.411 61.300 -0.405 0.000 1.324 400 I CB 1.109 38.923 38.000 -0.311 0.000 1.409 400 I HN 0.363 nan 8.210 nan 0.000 0.494 401 V N 6.585 126.088 119.914 -0.685 0.000 2.435 401 V HA 0.327 4.447 4.120 -0.000 0.000 0.290 401 V C -0.027 175.696 176.094 -0.618 0.000 1.030 401 V CA -0.604 61.252 62.300 -0.741 0.000 0.881 401 V CB 1.679 32.791 31.823 -1.185 0.000 0.983 401 V HN 0.700 nan 8.190 nan 0.000 0.445 402 E N 4.212 124.163 120.200 -0.414 0.000 2.199 402 E HA 0.565 4.914 4.350 -0.000 0.000 0.265 402 E C -1.417 174.975 176.600 -0.346 0.000 0.882 402 E CA -0.654 55.553 56.400 -0.321 0.000 0.759 402 E CB 1.565 31.116 29.700 -0.249 0.000 1.148 402 E HN 0.648 nan 8.360 nan 0.000 0.412 403 I N 4.755 125.121 120.570 -0.341 0.000 2.312 403 I HA 0.219 4.389 4.170 -0.000 0.000 0.290 403 I C -0.718 175.222 176.117 -0.295 0.000 1.008 403 I CA -0.816 60.237 61.300 -0.412 0.000 1.226 403 I CB 1.621 39.257 38.000 -0.607 0.000 1.371 403 I HN 0.312 nan 8.210 nan 0.000 0.468 404 V N 7.904 127.653 119.914 -0.275 0.000 2.350 404 V HA 0.356 4.475 4.120 -0.000 0.000 0.276 404 V C -0.212 175.769 176.094 -0.188 0.000 1.028 404 V CA -0.531 61.651 62.300 -0.195 0.000 0.860 404 V CB 1.618 33.383 31.823 -0.097 0.000 0.990 404 V HN 0.478 nan 8.190 nan 0.000 0.453 405 L N 5.970 127.055 121.223 -0.230 0.000 2.325 405 L HA 0.622 4.962 4.340 -0.000 0.000 0.281 405 L C -0.461 176.272 176.870 -0.228 0.000 1.004 405 L CA -0.229 54.400 54.840 -0.351 0.000 0.823 405 L CB 1.201 42.760 42.059 -0.833 0.000 1.236 405 L HN 0.554 nan 8.230 nan 0.000 0.415 406 N N 3.631 122.282 118.700 -0.082 0.000 2.511 406 N HA 0.177 4.917 4.740 -0.000 0.000 0.249 406 N C -0.973 174.558 175.510 0.036 0.000 0.971 406 N CA -0.503 52.553 53.050 0.010 0.000 0.938 406 N CB 1.287 39.807 38.487 0.055 0.000 1.131 406 N HN 0.499 nan 8.380 nan 0.000 0.505 407 N N 1.336 120.077 118.700 0.068 0.000 2.416 407 N HA -0.014 4.726 4.740 -0.000 0.000 0.265 407 N C 0.624 176.212 175.510 0.130 0.000 1.195 407 N CA 0.327 53.454 53.050 0.130 0.000 0.943 407 N CB 0.815 39.441 38.487 0.231 0.000 1.115 407 N HN 0.381 nan 8.380 nan 0.000 0.481 408 Q N 1.371 121.235 119.800 0.107 0.000 2.319 408 Q HA 0.157 4.497 4.340 -0.000 0.000 0.202 408 Q C -0.756 175.311 176.000 0.111 0.000 0.896 408 Q CA 0.093 55.949 55.803 0.087 0.000 0.942 408 Q CB 0.232 29.008 28.738 0.062 0.000 1.083 408 Q HN 0.663 nan 8.270 nan 0.000 0.510 409 D N -1.866 118.630 120.400 0.161 0.000 2.229 409 D HA 0.076 4.716 4.640 -0.000 0.000 0.249 409 D C 0.533 176.971 176.300 0.230 0.000 1.027 409 D CA -0.095 54.027 54.000 0.203 0.000 0.923 409 D CB 1.418 42.390 40.800 0.286 0.000 1.174 409 D HN 0.091 nan 8.370 nan 0.000 0.443 410 T N -0.436 114.231 114.554 0.188 0.000 3.219 410 T HA 0.354 4.703 4.350 -0.000 0.000 0.249 410 T C 0.877 175.673 174.700 0.160 0.000 1.099 410 T CA -0.353 61.847 62.100 0.167 0.000 0.988 410 T CB -0.250 68.695 68.868 0.128 0.000 0.999 410 T HN 0.274 nan 8.240 nan 0.000 0.550 411 G N 0.206 109.109 108.800 0.172 0.000 2.552 411 G HA2 0.556 4.516 3.960 -0.000 0.000 0.324 411 G HA3 0.556 4.516 3.960 -0.000 0.000 0.324 411 G C -0.884 173.987 174.900 -0.049 0.000 1.217 411 G CA -0.718 44.403 45.100 0.036 0.000 0.989 411 G HN 0.219 nan 8.290 nan 0.000 0.490 412 T N 1.106 115.594 114.554 -0.110 0.000 2.845 412 T HA 0.475 4.825 4.350 -0.000 0.000 0.288 412 T C -0.722 173.866 174.700 -0.187 0.000 0.980 412 T CA -0.063 62.031 62.100 -0.011 0.000 1.071 412 T CB 0.447 69.335 68.868 0.032 0.000 0.941 412 T HN 0.432 nan 8.240 nan 0.000 0.487 413 H N 3.210 122.444 119.070 0.273 0.000 2.689 413 H HA 0.306 4.862 4.556 -0.000 0.000 0.346 413 H C -2.771 172.640 175.328 0.139 0.000 1.037 413 H CA -2.151 53.971 56.048 0.124 0.000 1.234 413 H CB 2.173 31.893 29.762 -0.070 0.000 1.572 413 H HN 0.331 nan 8.280 nan 0.000 0.524 414 P HA 0.206 nan 4.420 nan 0.000 0.288 414 P C -0.613 176.728 177.300 0.068 0.000 1.363 414 P CA -0.317 62.927 63.100 0.239 0.000 0.837 414 P CB -0.099 31.712 31.700 0.185 0.000 0.981 415 F N 2.799 122.957 119.950 0.348 0.000 2.384 415 F HA 0.380 4.907 4.527 -0.000 0.000 0.338 415 F C 1.327 177.203 175.800 0.128 0.000 1.103 415 F CA 0.163 58.233 58.000 0.116 0.000 1.157 415 F CB 0.863 39.916 39.000 0.087 0.000 1.167 415 F HN 0.399 nan 8.300 nan 0.000 0.529 416 H N 2.947 121.999 119.070 -0.030 0.000 2.637 416 H HA 0.643 5.199 4.556 -0.000 0.000 0.363 416 H C -1.889 173.471 175.328 0.054 0.000 1.131 416 H CA -1.054 55.046 56.048 0.088 0.000 1.183 416 H CB 1.738 31.605 29.762 0.174 0.000 1.637 416 H HN 0.558 nan 8.280 nan 0.000 0.531 417 L N 5.367 126.364 121.223 -0.376 0.000 2.325 417 L HA 0.338 4.678 4.340 -0.000 0.000 0.281 417 L C -0.882 175.753 176.870 -0.392 0.000 1.004 417 L CA -0.279 54.489 54.840 -0.120 0.000 0.823 417 L CB 0.810 42.977 42.059 0.180 0.000 1.236 417 L HN 0.793 nan 8.230 nan 0.000 0.415 418 H N 3.851 122.777 119.070 -0.240 0.000 2.690 418 H HA 0.303 4.858 4.556 -0.000 0.000 0.365 418 H C 1.005 176.096 175.328 -0.395 0.000 1.142 418 H CA 0.662 56.661 56.048 -0.081 0.000 1.417 418 H CB 1.098 31.044 29.762 0.306 0.000 1.446 418 H HN 0.958 nan 8.280 nan 0.000 0.599 419 G N 1.579 110.019 108.800 -0.599 0.000 2.245 419 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.264 419 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.264 419 G C 0.098 174.354 174.900 -1.072 0.000 0.985 419 G CA 0.305 44.531 45.100 -1.457 0.000 0.625 419 G HN 0.789 nan 8.290 nan 0.000 0.536 420 H N -0.614 118.178 119.070 -0.464 0.000 2.961 420 H HA 0.635 5.191 4.556 -0.000 0.000 0.371 420 H C -0.238 175.042 175.328 -0.080 0.000 1.190 420 H CA -0.133 55.644 56.048 -0.451 0.000 1.138 420 H CB 1.868 31.277 29.762 -0.589 0.000 1.816 420 H HN 0.622 nan 8.280 nan 0.000 0.551 421 A N 2.784 125.644 122.820 0.066 0.000 2.249 421 A HA 0.519 4.839 4.320 -0.000 0.000 0.314 421 A C -0.442 177.077 177.584 -0.108 0.000 1.290 421 A CA -0.657 51.342 52.037 -0.064 0.000 0.893 421 A CB -0.491 18.556 19.000 0.078 0.000 1.165 421 A HN 0.474 nan 8.150 nan 0.000 0.530 422 F N 0.334 120.287 119.950 0.006 0.000 2.380 422 F HA 0.633 5.160 4.527 -0.000 0.000 0.321 422 F C 0.376 176.182 175.800 0.009 0.000 1.103 422 F CA -1.050 56.960 58.000 0.016 0.000 1.067 422 F CB 0.803 39.765 39.000 -0.063 0.000 1.265 422 F HN 0.507 nan 8.300 nan 0.000 0.517 423 Q N 0.807 120.785 119.800 0.296 0.000 2.279 423 Q HA 0.281 4.621 4.340 -0.000 0.000 0.256 423 Q C -0.847 175.234 176.000 0.135 0.000 0.937 423 Q CA -0.395 55.473 55.803 0.110 0.000 0.933 423 Q CB 1.421 30.150 28.738 -0.015 0.000 1.189 423 Q HN 0.683 nan 8.270 nan 0.000 0.417 424 T N 3.893 118.492 114.554 0.076 0.000 2.762 424 T HA 0.230 4.580 4.350 -0.000 0.000 0.303 424 T C 1.078 175.800 174.700 0.038 0.000 0.977 424 T CA -0.211 61.928 62.100 0.064 0.000 0.961 424 T CB 0.072 69.011 68.868 0.118 0.000 0.944 424 T HN 0.593 nan 8.240 nan 0.000 0.481 425 I N 0.820 121.384 120.570 -0.009 0.000 3.708 425 I HA 0.404 4.573 4.170 -0.000 0.000 0.302 425 I C 0.526 176.773 176.117 0.216 0.000 1.255 425 I CA -0.126 61.142 61.300 -0.054 0.000 1.362 425 I CB 0.456 38.140 38.000 -0.527 0.000 1.100 425 I HN 0.407 nan 8.210 nan 0.000 0.434 426 Q N 1.952 121.836 119.800 0.140 0.000 2.309 426 Q HA 0.462 4.801 4.340 -0.000 0.000 0.273 426 Q C -1.209 174.814 176.000 0.038 0.000 1.040 426 Q CA -0.822 55.059 55.803 0.130 0.000 0.834 426 Q CB 2.065 30.934 28.738 0.218 0.000 1.345 426 Q HN 0.310 nan 8.270 nan 0.000 0.414 427 R N 3.765 124.153 120.500 -0.188 0.000 2.713 427 R HA 0.203 4.543 4.340 -0.000 0.000 0.282 427 R C -1.382 174.881 176.300 -0.062 0.000 1.472 427 R CA -0.373 55.708 56.100 -0.031 0.000 1.060 427 R CB 0.983 31.254 30.300 -0.047 0.000 1.237 427 R HN 0.807 nan 8.270 nan 0.000 0.484 428 D N 2.651 123.110 120.400 0.098 0.000 2.362 428 D HA 0.011 4.651 4.640 -0.000 0.000 0.238 428 D C 0.336 176.670 176.300 0.058 0.000 1.212 428 D CA 0.101 54.165 54.000 0.108 0.000 0.902 428 D CB 0.880 41.843 40.800 0.271 0.000 1.180 428 D HN 0.530 nan 8.370 nan 0.000 0.445 429 R N -0.302 120.158 120.500 -0.067 0.000 2.822 429 R HA 0.209 4.549 4.340 -0.000 0.000 0.277 429 R C -0.227 175.929 176.300 -0.240 0.000 1.102 429 R CA -0.427 55.581 56.100 -0.153 0.000 1.207 429 R CB -0.385 29.773 30.300 -0.238 0.000 1.139 429 R HN 0.199 nan 8.270 nan 0.000 0.557 430 T N 1.465 115.929 114.554 -0.151 0.000 2.888 430 T HA 0.060 4.410 4.350 -0.000 0.000 0.301 430 T C -0.736 173.810 174.700 -0.257 0.000 1.001 430 T CA 0.212 62.265 62.100 -0.078 0.000 1.147 430 T CB -0.082 68.792 68.868 0.010 0.000 0.931 430 T HN 0.387 nan 8.240 nan 0.000 0.541 431 Y N 1.715 122.093 120.300 0.131 0.000 2.593 431 Y HA 0.220 4.770 4.550 -0.000 0.000 0.331 431 Y C 0.700 176.672 175.900 0.121 0.000 0.986 431 Y CA -1.024 57.157 58.100 0.134 0.000 1.262 431 Y CB 0.610 39.190 38.460 0.200 0.000 1.098 431 Y HN 0.593 nan 8.280 nan 0.000 0.506 432 D N 4.021 124.536 120.400 0.192 0.000 2.336 432 D HA -0.066 4.574 4.640 -0.000 0.000 0.249 432 D C 0.763 177.145 176.300 0.137 0.000 1.213 432 D CA 0.198 54.281 54.000 0.138 0.000 0.870 432 D CB 0.857 41.711 40.800 0.090 0.000 1.076 432 D HN 0.786 nan 8.370 nan 0.000 0.483 433 D N 3.038 123.514 120.400 0.128 0.000 2.269 433 D HA -0.139 4.501 4.640 -0.000 0.000 0.208 433 D C 1.342 177.691 176.300 0.081 0.000 0.963 433 D CA 0.209 54.273 54.000 0.106 0.000 0.864 433 D CB 0.179 41.038 40.800 0.099 0.000 0.936 433 D HN 0.347 nan 8.370 nan 0.000 0.505 434 A N 0.724 123.589 122.820 0.075 0.000 2.015 434 A HA 0.022 4.342 4.320 -0.000 0.000 0.219 434 A C 2.315 179.932 177.584 0.055 0.000 1.163 434 A CA 0.469 52.541 52.037 0.058 0.000 0.646 434 A CB -0.581 18.451 19.000 0.053 0.000 0.806 434 A HN 0.280 nan 8.150 nan 0.000 0.448 435 L N -1.398 119.864 121.223 0.065 0.000 2.591 435 L HA 0.234 4.574 4.340 -0.000 0.000 0.228 435 L C 1.592 178.503 176.870 0.068 0.000 1.133 435 L CA 0.791 55.668 54.840 0.062 0.000 0.880 435 L CB 0.232 42.330 42.059 0.065 0.000 1.033 435 L HN 0.555 nan 8.230 nan 0.000 0.450 436 G N -0.519 108.325 108.800 0.073 0.000 2.157 436 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.239 436 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.239 436 G C 0.085 175.038 174.900 0.087 0.000 0.982 436 G CA -0.328 44.813 45.100 0.069 0.000 0.650 436 G HN 0.404 nan 8.290 nan 0.000 0.527 437 E N 0.151 120.425 120.200 0.123 0.000 2.343 437 E HA 0.497 4.847 4.350 -0.000 0.000 0.269 437 E C 0.858 177.543 176.600 0.140 0.000 1.047 437 E CA -0.110 56.393 56.400 0.173 0.000 0.874 437 E CB 2.007 31.874 29.700 0.279 0.000 1.033 437 E HN 0.681 nan 8.360 nan 0.000 0.409 438 V N -0.320 119.646 119.914 0.087 0.000 3.096 438 V HA 0.537 4.657 4.120 -0.000 0.000 0.319 438 V C -2.517 173.519 176.094 -0.096 0.000 1.082 438 V CA -2.775 59.514 62.300 -0.018 0.000 1.022 438 V CB 0.896 32.662 31.823 -0.095 0.000 1.103 438 V HN 0.480 nan 8.190 nan 0.000 0.455 439 P HA 0.364 nan 4.420 nan 0.000 0.271 439 P C -1.263 175.802 177.300 -0.392 0.000 1.218 439 P CA 0.373 63.398 63.100 -0.125 0.000 0.780 439 P CB 0.049 31.726 31.700 -0.039 0.000 0.901 440 H N -0.323 118.557 119.070 -0.317 0.000 2.589 440 H HA 0.393 4.949 4.556 -0.000 0.000 0.335 440 H C -0.050 175.230 175.328 -0.081 0.000 1.019 440 H CA -0.230 55.634 56.048 -0.307 0.000 1.213 440 H CB 1.149 30.509 29.762 -0.670 0.000 1.472 440 H HN 0.246 nan 8.280 nan 0.000 0.508 441 S N 2.206 117.938 115.700 0.053 0.000 2.632 441 S HA 0.137 4.607 4.470 -0.000 0.000 0.267 441 S C -0.298 174.407 174.600 0.175 0.000 1.276 441 S CA -0.685 57.579 58.200 0.107 0.000 0.998 441 S CB 0.462 63.699 63.200 0.062 0.000 0.953 441 S HN 0.469 nan 8.310 nan 0.000 0.547 442 F N 2.551 122.551 119.950 0.083 0.000 2.538 442 F HA 0.230 4.757 4.527 -0.000 0.000 0.371 442 F C 0.189 176.049 175.800 0.100 0.000 1.087 442 F CA -0.451 57.612 58.000 0.105 0.000 1.250 442 F CB 0.354 39.405 39.000 0.084 0.000 1.110 442 F HN 0.345 nan 8.300 nan 0.000 0.570 443 D N 8.596 128.545 120.400 -0.751 0.000 2.440 443 D HA 0.306 4.946 4.640 -0.000 0.000 0.239 443 D C -1.890 173.832 176.300 -0.964 0.000 1.084 443 D CA -2.517 51.102 54.000 -0.635 0.000 0.843 443 D CB 1.931 42.584 40.800 -0.245 0.000 1.097 443 D HN 0.261 nan 8.370 nan 0.000 0.531 444 P HA -0.082 nan 4.420 nan 0.000 0.222 444 P C 0.345 177.670 177.300 0.042 0.000 1.147 444 P CA 0.761 63.737 63.100 -0.206 0.000 0.790 444 P CB 0.698 32.445 31.700 0.079 0.000 0.780 445 D N -1.055 119.303 120.400 -0.070 0.000 2.249 445 D HA -0.015 4.625 4.640 -0.000 0.000 0.205 445 D C 0.535 176.762 176.300 -0.121 0.000 0.962 445 D CA 0.987 54.951 54.000 -0.060 0.000 0.860 445 D CB -0.256 40.508 40.800 -0.059 0.000 0.955 445 D HN 0.155 nan 8.370 nan 0.000 0.505 446 N N 0.053 118.672 118.700 -0.134 0.000 2.581 446 N HA 0.216 4.956 4.740 -0.000 0.000 0.279 446 N C -1.834 173.623 175.510 -0.090 0.000 1.124 446 N CA -0.549 52.406 53.050 -0.157 0.000 0.833 446 N CB 0.410 38.841 38.487 -0.092 0.000 1.338 446 N HN 0.058 nan 8.380 nan 0.000 0.533 447 H N 0.211 119.224 119.070 -0.095 0.000 3.068 447 H HA 0.621 5.176 4.556 -0.000 0.000 0.342 447 H C -2.855 172.440 175.328 -0.055 0.000 1.284 447 H CA -1.493 54.542 56.048 -0.022 0.000 1.181 447 H CB -0.319 29.504 29.762 0.101 0.000 1.898 447 H HN 0.196 nan 8.280 nan 0.000 0.540 448 P HA 0.242 nan 4.420 nan 0.000 0.269 448 P C -0.293 177.029 177.300 0.037 0.000 1.211 448 P CA 0.041 63.181 63.100 0.067 0.000 0.781 448 P CB 0.294 32.078 31.700 0.140 0.000 0.877 449 A N 2.389 125.200 122.820 -0.016 0.000 2.520 449 A HA 0.216 4.536 4.320 -0.000 0.000 0.245 449 A C 0.139 177.780 177.584 0.094 0.000 1.072 449 A CA -0.218 51.789 52.037 -0.049 0.000 0.761 449 A CB -0.831 18.167 19.000 -0.004 0.000 1.004 449 A HN 0.447 nan 8.150 nan 0.000 0.499 450 F N 3.068 123.151 119.950 0.221 0.000 2.539 450 F HA 0.248 4.775 4.527 -0.000 0.000 0.340 450 F C -1.048 174.817 175.800 0.108 0.000 1.185 450 F CA -1.275 56.826 58.000 0.168 0.000 1.333 450 F CB 0.281 39.344 39.000 0.106 0.000 1.152 450 F HN 0.453 nan 8.300 nan 0.000 0.602 451 P HA 0.062 nan 4.420 nan 0.000 0.272 451 P C -0.290 177.024 177.300 0.024 0.000 1.223 451 P CA -0.123 63.044 63.100 0.111 0.000 0.784 451 P CB 0.899 32.583 31.700 -0.028 0.000 0.923 452 E N 0.536 120.706 120.200 -0.050 0.000 2.107 452 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 452 E C -0.126 176.154 176.600 -0.532 0.000 0.982 452 E CA 1.240 57.476 56.400 -0.274 0.000 0.809 452 E CB -0.132 29.384 29.700 -0.306 0.000 0.756 452 E HN 0.527 nan 8.360 nan 0.000 0.459 453 Y N 0.473 120.745 120.300 -0.046 0.000 2.787 453 Y HA 0.281 4.830 4.550 -0.000 0.000 0.352 453 Y C -2.343 173.481 175.900 -0.127 0.000 1.027 453 Y CA -2.661 55.387 58.100 -0.086 0.000 1.219 453 Y CB 0.932 39.351 38.460 -0.070 0.000 1.110 453 Y HN -0.033 nan 8.280 nan 0.000 0.614 454 P HA -0.007 nan 4.420 nan 0.000 0.272 454 P C 0.312 177.520 177.300 -0.154 0.000 1.223 454 P CA -0.372 62.629 63.100 -0.166 0.000 0.784 454 P CB 0.725 32.326 31.700 -0.166 0.000 0.923 455 M N 2.647 122.103 119.600 -0.241 0.000 2.240 455 M HA 0.117 4.597 4.480 -0.000 0.000 0.317 455 M C -0.417 175.807 176.300 -0.128 0.000 1.087 455 M CA 0.761 55.956 55.300 -0.175 0.000 1.176 455 M CB -0.068 32.397 32.600 -0.225 0.000 1.439 455 M HN 0.329 nan 8.290 nan 0.000 0.452 456 R N 2.523 122.952 120.500 -0.118 0.000 2.628 456 R HA 0.645 4.985 4.340 -0.000 0.000 0.288 456 R C -1.088 175.073 176.300 -0.233 0.000 0.980 456 R CA -0.598 55.410 56.100 -0.154 0.000 0.891 456 R CB 2.134 32.380 30.300 -0.089 0.000 1.188 456 R HN 0.890 nan 8.270 nan 0.000 0.450 457 R N -0.238 119.982 120.500 -0.466 0.000 2.764 457 R HA 0.243 4.583 4.340 -0.000 0.000 0.276 457 R C -1.034 174.747 176.300 -0.864 0.000 1.021 457 R CA -0.751 55.065 56.100 -0.473 0.000 0.870 457 R CB 0.332 30.451 30.300 -0.302 0.000 1.293 457 R HN 0.542 nan 8.270 nan 0.000 0.469 458 D N -0.966 119.207 120.400 -0.378 0.000 2.417 458 D HA 0.138 4.778 4.640 -0.000 0.000 0.207 458 D C -0.486 176.032 176.300 0.364 0.000 1.075 458 D CA 0.161 54.088 54.000 -0.121 0.000 0.851 458 D CB 0.793 41.697 40.800 0.174 0.000 0.976 458 D HN 0.465 nan 8.370 nan 0.000 0.505 459 T N 0.366 115.094 114.554 0.290 0.000 2.971 459 T HA 0.558 4.908 4.350 -0.000 0.000 0.304 459 T C -1.428 173.480 174.700 0.348 0.000 1.038 459 T CA -0.692 61.664 62.100 0.427 0.000 1.007 459 T CB 2.048 71.091 68.868 0.291 0.000 1.055 459 T HN 0.107 nan 8.240 nan 0.000 0.451 460 L N 3.619 125.095 121.223 0.422 0.000 2.455 460 L HA 0.701 5.041 4.340 -0.000 0.000 0.264 460 L C -1.449 175.685 176.870 0.440 0.000 0.968 460 L CA -0.898 54.110 54.840 0.281 0.000 0.827 460 L CB 1.489 43.612 42.059 0.107 0.000 1.317 460 L HN 0.735 nan 8.230 nan 0.000 0.407 461 Y N 3.385 123.942 120.300 0.427 0.000 2.310 461 Y HA 0.756 5.306 4.550 -0.000 0.000 0.326 461 Y C -0.520 175.766 175.900 0.642 0.000 1.151 461 Y CA -1.383 57.020 58.100 0.505 0.000 1.195 461 Y CB 0.585 39.275 38.460 0.384 0.000 1.210 461 Y HN 0.335 nan 8.280 nan 0.000 0.483 462 V N 3.763 124.190 119.914 0.855 0.000 2.567 462 V HA 0.483 4.603 4.120 -0.000 0.000 0.289 462 V C 0.364 176.818 176.094 0.600 0.000 1.049 462 V CA -1.294 61.391 62.300 0.642 0.000 0.969 462 V CB 0.773 32.845 31.823 0.414 0.000 0.995 462 V HN 0.850 nan 8.190 nan 0.000 0.471 463 R N 2.783 123.578 120.500 0.492 0.000 2.577 463 R HA 0.346 4.686 4.340 -0.000 0.000 0.269 463 R C -2.518 173.975 176.300 0.322 0.000 1.084 463 R CA -1.781 54.550 56.100 0.385 0.000 1.163 463 R CB 0.252 30.740 30.300 0.313 0.000 1.100 463 R HN 0.438 nan 8.270 nan 0.000 0.547 464 P HA -0.126 nan 4.420 nan 0.000 0.260 464 P C -0.610 176.866 177.300 0.294 0.000 1.172 464 P CA 0.898 64.143 63.100 0.242 0.000 0.760 464 P CB 0.293 32.101 31.700 0.180 0.000 0.773 465 Q N -1.340 118.634 119.800 0.289 0.000 2.468 465 Q HA -0.237 4.103 4.340 -0.000 0.000 0.256 465 Q C 0.434 176.651 176.000 0.361 0.000 0.984 465 Q CA 0.943 56.914 55.803 0.280 0.000 1.110 465 Q CB -1.670 27.225 28.738 0.262 0.000 1.527 465 Q HN 0.485 nan 8.270 nan 0.000 0.535 466 S N -0.196 115.733 115.700 0.383 0.000 2.702 466 S HA 0.660 5.130 4.470 -0.000 0.000 0.272 466 S C -0.373 174.396 174.600 0.282 0.000 1.068 466 S CA 0.047 58.515 58.200 0.447 0.000 0.964 466 S CB 0.977 64.423 63.200 0.410 0.000 1.307 466 S HN 0.521 nan 8.310 nan 0.000 0.567 467 N N -0.701 118.159 118.700 0.267 0.000 2.708 467 N HA 0.583 5.323 4.740 -0.000 0.000 0.257 467 N C -1.170 174.455 175.510 0.192 0.000 1.373 467 N CA -0.904 52.239 53.050 0.156 0.000 0.843 467 N CB 1.014 39.630 38.487 0.215 0.000 1.503 467 N HN 0.626 nan 8.380 nan 0.000 0.504 468 F N -2.294 117.708 119.950 0.088 0.000 2.643 468 F HA 0.892 5.419 4.527 -0.000 0.000 0.314 468 F C -1.881 173.833 175.800 -0.143 0.000 1.096 468 F CA -1.353 56.647 58.000 -0.000 0.000 0.953 468 F CB 1.541 40.559 39.000 0.032 0.000 1.345 468 F HN 0.278 nan 8.300 nan 0.000 0.468 469 V N 3.380 123.393 119.914 0.165 0.000 2.525 469 V HA 0.511 4.631 4.120 -0.000 0.000 0.299 469 V C -0.297 175.669 176.094 -0.215 0.000 1.034 469 V CA -0.659 61.538 62.300 -0.172 0.000 0.863 469 V CB 1.616 33.074 31.823 -0.608 0.000 0.999 469 V HN 0.800 nan 8.190 nan 0.000 0.423 470 I N 2.053 122.480 120.570 -0.239 0.000 2.646 470 I HA 0.817 4.987 4.170 -0.000 0.000 0.299 470 I C -0.473 175.549 176.117 -0.157 0.000 1.036 470 I CA -0.893 60.257 61.300 -0.251 0.000 1.074 470 I CB 2.264 39.941 38.000 -0.538 0.000 1.258 470 I HN 0.439 nan 8.210 nan 0.000 0.430 471 R N 4.046 124.541 120.500 -0.010 0.000 2.686 471 R HA 0.772 5.112 4.340 -0.000 0.000 0.283 471 R C -1.616 174.874 176.300 0.317 0.000 0.978 471 R CA -0.675 55.455 56.100 0.051 0.000 0.897 471 R CB 2.585 32.908 30.300 0.038 0.000 1.192 471 R HN 0.788 nan 8.270 nan 0.000 0.457 472 F N -1.274 118.627 119.950 -0.082 0.000 2.668 472 F HA 0.510 5.037 4.527 -0.000 0.000 0.309 472 F C -1.266 174.249 175.800 -0.474 0.000 1.117 472 F CA -1.327 56.587 58.000 -0.143 0.000 0.951 472 F CB 1.460 40.342 39.000 -0.197 0.000 1.323 472 F HN 0.173 nan 8.300 nan 0.000 0.451 473 K N 1.847 121.952 120.400 -0.491 0.000 2.201 473 K HA 0.710 5.030 4.320 -0.000 0.000 0.278 473 K C -0.310 176.185 176.600 -0.176 0.000 1.027 473 K CA -0.583 55.397 56.287 -0.511 0.000 0.909 473 K CB 1.526 33.756 32.500 -0.449 0.000 1.062 473 K HN 0.934 nan 8.250 nan 0.000 0.465 474 A N 4.759 127.440 122.820 -0.231 0.000 2.981 474 A HA 0.051 4.371 4.320 -0.000 0.000 0.280 474 A C -0.153 177.473 177.584 0.071 0.000 1.743 474 A CA -0.182 51.860 52.037 0.007 0.000 1.430 474 A CB -0.456 18.511 19.000 -0.055 0.000 1.085 474 A HN 0.836 nan 8.150 nan 0.000 0.597 475 D N -0.225 120.251 120.400 0.128 0.000 2.501 475 D HA 0.056 4.696 4.640 -0.000 0.000 0.224 475 D C -0.236 176.060 176.300 -0.005 0.000 1.202 475 D CA -0.213 53.805 54.000 0.031 0.000 0.829 475 D CB -0.108 40.679 40.800 -0.021 0.000 1.023 475 D HN 0.284 nan 8.370 nan 0.000 0.499 476 N N 1.221 119.968 118.700 0.078 0.000 2.750 476 N HA 0.278 5.018 4.740 -0.000 0.000 0.253 476 N C -2.943 172.748 175.510 0.303 0.000 1.408 476 N CA -1.632 51.441 53.050 0.038 0.000 0.780 476 N CB 1.251 39.552 38.487 -0.309 0.000 1.191 476 N HN -0.216 nan 8.380 nan 0.000 0.511 477 P HA 0.194 nan 4.420 nan 0.000 0.260 477 P C 0.185 177.562 177.300 0.129 0.000 1.172 477 P CA 0.577 63.768 63.100 0.151 0.000 0.760 477 P CB 0.621 32.367 31.700 0.078 0.000 0.773 478 G N 0.986 109.733 108.800 -0.088 0.000 2.320 478 G HA2 0.345 4.305 3.960 -0.000 0.000 0.296 478 G HA3 0.345 4.305 3.960 -0.000 0.000 0.296 478 G C -1.948 172.331 174.900 -1.034 0.000 1.306 478 G CA -0.549 44.146 45.100 -0.675 0.000 0.836 478 G HN 0.292 nan 8.290 nan 0.000 0.517 479 V N 0.488 119.607 119.914 -1.325 0.000 2.378 479 V HA 0.641 4.761 4.120 -0.000 0.000 0.288 479 V C -1.151 174.438 176.094 -0.841 0.000 1.016 479 V CA -0.247 61.548 62.300 -0.842 0.000 0.840 479 V CB 0.886 32.423 31.823 -0.477 0.000 0.994 479 V HN 0.612 nan 8.190 nan 0.000 0.431 480 W N 4.392 125.699 121.300 0.011 0.000 2.656 480 W HA 0.589 5.249 4.660 -0.000 0.000 0.327 480 W C -0.495 176.089 176.519 0.108 0.000 1.041 480 W CA -0.847 56.534 57.345 0.061 0.000 1.229 480 W CB 1.532 31.075 29.460 0.139 0.000 1.397 480 W HN 0.350 nan 8.180 nan 0.000 0.479 481 F N 3.974 123.930 119.950 0.011 0.000 2.427 481 F HA 0.341 4.867 4.527 -0.000 0.000 0.352 481 F C -0.610 175.360 175.800 0.282 0.000 1.100 481 F CA -1.862 56.124 58.000 -0.023 0.000 1.191 481 F CB 0.203 38.980 39.000 -0.371 0.000 1.128 481 F HN 0.174 nan 8.300 nan 0.000 0.533 482 F N 7.105 127.174 119.950 0.199 0.000 2.427 482 F HA 0.468 4.995 4.527 -0.000 0.000 0.348 482 F C -1.003 174.853 175.800 0.093 0.000 1.125 482 F CA -0.329 57.708 58.000 0.062 0.000 0.989 482 F CB 0.347 39.323 39.000 -0.039 0.000 1.165 482 F HN 0.671 nan 8.300 nan 0.000 0.442 483 H N 2.189 121.017 119.070 -0.403 0.000 2.981 483 H HA 0.417 4.973 4.556 -0.000 0.000 0.327 483 H C -1.486 173.849 175.328 0.011 0.000 1.342 483 H CA -1.462 54.491 56.048 -0.159 0.000 1.123 483 H CB 0.663 30.086 29.762 -0.565 0.000 1.851 483 H HN 0.684 nan 8.280 nan 0.000 0.531 484 C N 1.820 121.151 119.300 0.051 0.000 2.593 484 C HA 0.150 4.610 4.460 -0.000 0.000 0.409 484 C C 1.274 176.349 174.990 0.141 0.000 1.304 484 C CA -0.117 58.734 59.018 -0.278 0.000 2.007 484 C CB -0.695 26.814 27.740 -0.385 0.000 2.614 484 C HN 1.012 nan 8.230 nan 0.000 0.585 485 H N 3.767 122.854 119.070 0.028 0.000 2.539 485 H HA 0.284 4.840 4.556 -0.000 0.000 0.269 485 H C 0.446 175.824 175.328 0.084 0.000 0.980 485 H CA 0.323 56.470 56.048 0.165 0.000 1.152 485 H CB 0.124 29.971 29.762 0.141 0.000 1.407 485 H HN 0.649 nan 8.280 nan 0.000 0.564 486 I N 2.213 122.849 120.570 0.110 0.000 2.421 486 I HA -0.085 4.085 4.170 -0.000 0.000 0.291 486 I C 1.478 177.480 176.117 -0.192 0.000 1.089 486 I CA -0.097 61.178 61.300 -0.042 0.000 1.354 486 I CB 1.003 38.893 38.000 -0.182 0.000 1.413 486 I HN 0.060 nan 8.210 nan 0.000 0.513 487 E N 4.974 124.943 120.200 -0.385 0.000 2.097 487 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 487 E C 1.793 178.125 176.600 -0.447 0.000 1.000 487 E CA 1.876 57.954 56.400 -0.537 0.000 0.804 487 E CB -0.061 29.100 29.700 -0.897 0.000 0.740 487 E HN 0.715 nan 8.360 nan 0.000 0.454 488 W N 0.224 121.312 121.300 -0.353 0.000 2.338 488 W HA -0.163 4.497 4.660 -0.000 0.000 0.304 488 W C 2.368 178.959 176.519 0.120 0.000 1.212 488 W CA 1.127 58.248 57.345 -0.373 0.000 1.264 488 W CB -0.683 28.249 29.460 -0.880 0.000 1.142 488 W HN 0.336 nan 8.180 nan 0.000 0.512 489 H N -0.751 118.448 119.070 0.215 0.000 2.436 489 H HA -0.086 4.470 4.556 -0.000 0.000 0.294 489 H C 2.086 177.493 175.328 0.131 0.000 1.048 489 H CA 0.838 57.007 56.048 0.201 0.000 1.353 489 H CB -0.165 29.701 29.762 0.173 0.000 1.414 489 H HN 0.035 nan 8.280 nan 0.000 0.536 490 L N 0.898 122.235 121.223 0.189 0.000 2.141 490 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 490 L C 1.959 178.931 176.870 0.171 0.000 1.094 490 L CA 1.221 56.129 54.840 0.113 0.000 0.763 490 L CB -0.471 41.586 42.059 -0.004 0.000 0.908 490 L HN 0.231 nan 8.230 nan 0.000 0.437 491 L N -0.935 120.406 121.223 0.198 0.000 2.083 491 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 491 L C 2.410 179.453 176.870 0.289 0.000 1.083 491 L CA 1.215 56.208 54.840 0.255 0.000 0.752 491 L CB -0.255 42.002 42.059 0.330 0.000 0.899 491 L HN 0.392 nan 8.230 nan 0.000 0.433 492 Q N -0.544 119.443 119.800 0.312 0.000 2.482 492 Q HA 0.015 4.355 4.340 -0.000 0.000 0.209 492 Q C 1.086 177.197 176.000 0.185 0.000 0.961 492 Q CA 0.593 56.539 55.803 0.239 0.000 0.945 492 Q CB 0.258 29.117 28.738 0.201 0.000 1.012 492 Q HN 0.611 nan 8.270 nan 0.000 0.515 493 G N 1.149 110.061 108.800 0.186 0.000 2.142 493 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.225 493 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.225 493 G C -0.096 174.879 174.900 0.126 0.000 1.015 493 G CA -0.352 44.857 45.100 0.182 0.000 0.716 493 G HN 0.368 nan 8.290 nan 0.000 0.508 494 L N 1.179 122.435 121.223 0.056 0.000 2.391 494 L HA 0.521 4.860 4.340 -0.000 0.000 0.249 494 L C 0.918 177.818 176.870 0.051 0.000 1.308 494 L CA 0.646 55.416 54.840 -0.117 0.000 1.209 494 L CB -0.471 41.500 42.059 -0.147 0.000 1.401 494 L HN 0.405 nan 8.230 nan 0.000 0.416 495 G N 2.757 111.734 108.800 0.295 0.000 2.718 495 G HA2 0.597 4.557 3.960 -0.000 0.000 0.295 495 G HA3 0.597 4.557 3.960 -0.000 0.000 0.295 495 G C -1.723 173.534 174.900 0.596 0.000 1.421 495 G CA -0.551 44.742 45.100 0.322 0.000 0.902 495 G HN 0.242 nan 8.290 nan 0.000 0.501 496 L N -1.481 120.013 121.223 0.451 0.000 2.409 496 L HA 0.930 5.270 4.340 -0.000 0.000 0.255 496 L C -0.915 176.216 176.870 0.434 0.000 1.027 496 L CA -1.404 53.682 54.840 0.410 0.000 0.834 496 L CB 1.696 43.784 42.059 0.047 0.000 1.426 496 L HN 0.403 nan 8.230 nan 0.000 0.411 497 V N 2.141 122.269 119.914 0.357 0.000 2.448 497 V HA 0.547 4.667 4.120 -0.000 0.000 0.295 497 V C -0.241 175.965 176.094 0.187 0.000 1.025 497 V CA -0.430 62.022 62.300 0.253 0.000 0.859 497 V CB 1.491 33.398 31.823 0.140 0.000 0.988 497 V HN 0.647 nan 8.190 nan 0.000 0.431 498 L N 5.160 126.485 121.223 0.170 0.000 2.287 498 L HA 0.582 4.922 4.340 -0.000 0.000 0.287 498 L C -0.587 176.285 176.870 0.003 0.000 1.022 498 L CA -0.743 54.180 54.840 0.138 0.000 0.814 498 L CB 1.854 44.049 42.059 0.226 0.000 1.217 498 L HN 0.359 nan 8.230 nan 0.000 0.420 499 V N 3.144 123.004 119.914 -0.090 0.000 2.318 499 V HA 0.214 4.334 4.120 -0.000 0.000 0.271 499 V C 0.193 176.237 176.094 -0.084 0.000 1.030 499 V CA -0.559 61.617 62.300 -0.207 0.000 0.844 499 V CB 1.226 32.798 31.823 -0.419 0.000 1.015 499 V HN 0.709 nan 8.190 nan 0.000 0.460 500 E N 4.137 124.321 120.200 -0.028 0.000 2.259 500 E HA 0.139 4.489 4.350 -0.000 0.000 0.281 500 E C -0.049 176.563 176.600 0.020 0.000 1.027 500 E CA -0.498 55.953 56.400 0.084 0.000 0.838 500 E CB 0.645 30.520 29.700 0.292 0.000 1.066 500 E HN 0.908 nan 8.360 nan 0.000 0.401 501 D N 5.864 126.282 120.400 0.031 0.000 8.267 501 D HA -0.172 4.468 4.640 -0.000 0.000 0.138 501 D C -1.624 174.649 176.300 -0.045 0.000 1.262 501 D CA -0.413 53.594 54.000 0.013 0.000 0.885 501 D CB 0.112 40.962 40.800 0.083 0.000 1.723 501 D HN 0.270 nan 8.370 nan 0.000 0.984 502 P HA -0.202 nan 4.420 nan 0.000 0.218 502 P C 1.479 178.661 177.300 -0.197 0.000 1.146 502 P CA 1.019 63.981 63.100 -0.230 0.000 0.813 502 P CB -0.157 31.347 31.700 -0.327 0.000 0.778 503 F N 0.246 120.216 119.950 0.032 0.000 2.206 503 F HA 0.025 4.552 4.527 -0.000 0.000 0.298 503 F C 2.769 178.582 175.800 0.021 0.000 1.090 503 F CA 0.903 58.919 58.000 0.026 0.000 1.323 503 F CB -1.285 37.730 39.000 0.026 0.000 1.028 503 F HN -0.037 nan 8.300 nan 0.000 0.492 504 G N 0.739 109.645 108.800 0.177 0.000 2.422 504 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 504 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 504 G C 1.669 176.613 174.900 0.073 0.000 1.146 504 G CA 0.920 46.087 45.100 0.111 0.000 0.769 504 G HN 0.317 nan 8.290 nan 0.000 0.547 505 I N 0.211 120.803 120.570 0.037 0.000 2.127 505 I HA -0.250 3.919 4.170 -0.000 0.000 0.241 505 I C 3.044 179.172 176.117 0.017 0.000 1.075 505 I CA 1.437 62.738 61.300 0.001 0.000 1.334 505 I CB -0.333 37.633 38.000 -0.056 0.000 1.040 505 I HN 0.219 nan 8.210 nan 0.000 0.405 506 Q N 0.342 120.168 119.800 0.044 0.000 2.124 506 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 506 Q C 1.756 177.793 176.000 0.062 0.000 0.977 506 Q CA 1.490 57.327 55.803 0.057 0.000 0.850 506 Q CB -0.090 28.715 28.738 0.112 0.000 0.901 506 Q HN 0.489 nan 8.270 nan 0.000 0.429 507 D N 0.589 121.041 120.400 0.086 0.000 2.183 507 D HA -0.012 4.628 4.640 -0.000 0.000 0.203 507 D C 0.212 176.557 176.300 0.074 0.000 0.969 507 D CA 0.579 54.626 54.000 0.078 0.000 0.842 507 D CB -0.061 40.789 40.800 0.083 0.000 0.957 507 D HN 0.164 nan 8.370 nan 0.000 0.484 508 A N 1.012 123.873 122.820 0.068 0.000 2.409 508 A HA 0.015 4.335 4.320 -0.000 0.000 0.267 508 A C 1.195 178.828 177.584 0.082 0.000 1.127 508 A CA -0.178 51.907 52.037 0.080 0.000 0.795 508 A CB 0.259 19.300 19.000 0.068 0.000 1.061 508 A HN 0.213 nan 8.150 nan 0.000 0.502 509 H N 3.092 122.175 119.070 0.022 0.000 2.357 509 H HA -0.132 4.424 4.556 -0.000 0.000 0.301 509 H C 2.107 177.440 175.328 0.007 0.000 1.082 509 H CA 2.311 58.367 56.048 0.013 0.000 1.342 509 H CB 0.024 29.794 29.762 0.014 0.000 1.389 509 H HN 0.800 nan 8.280 nan 0.000 0.511 510 S N -0.012 115.794 115.700 0.177 0.000 2.493 510 S HA -0.162 4.308 4.470 -0.000 0.000 0.243 510 S C 1.961 176.571 174.600 0.015 0.000 0.991 510 S CA 1.385 59.652 58.200 0.111 0.000 0.957 510 S CB -0.141 63.125 63.200 0.111 0.000 0.756 510 S HN 0.321 nan 8.310 nan 0.000 0.521 511 Q N 0.585 120.374 119.800 -0.018 0.000 2.376 511 Q HA 0.236 4.576 4.340 -0.000 0.000 0.206 511 Q C 0.349 176.290 176.000 -0.098 0.000 0.921 511 Q CA 0.354 56.129 55.803 -0.046 0.000 0.911 511 Q CB -0.002 28.719 28.738 -0.027 0.000 1.032 511 Q HN 0.470 nan 8.270 nan 0.000 0.510 512 Q N 0.598 120.310 119.800 -0.148 0.000 2.349 512 Q HA 0.052 4.392 4.340 -0.000 0.000 0.287 512 Q C -0.437 175.467 176.000 -0.160 0.000 1.044 512 Q CA 0.313 56.014 55.803 -0.171 0.000 0.918 512 Q CB 0.316 28.893 28.738 -0.269 0.000 1.242 512 Q HN 0.326 nan 8.270 nan 0.000 0.405 513 L N 1.713 122.854 121.223 -0.136 0.000 2.416 513 L HA 0.084 4.424 4.340 -0.000 0.000 0.272 513 L C 0.980 177.772 176.870 -0.131 0.000 1.161 513 L CA -0.191 54.558 54.840 -0.152 0.000 0.845 513 L CB 0.329 42.338 42.059 -0.083 0.000 1.119 513 L HN 0.649 nan 8.230 nan 0.000 0.464 514 S N 1.667 117.260 115.700 -0.177 0.000 2.614 514 S HA 0.154 4.624 4.470 -0.000 0.000 0.265 514 S C 0.951 175.548 174.600 -0.004 0.000 1.303 514 S CA -0.802 57.346 58.200 -0.085 0.000 1.000 514 S CB 1.137 64.282 63.200 -0.092 0.000 0.935 514 S HN 0.616 nan 8.310 nan 0.000 0.551 515 E N 1.616 121.824 120.200 0.014 0.000 2.049 515 E HA -0.260 4.090 4.350 -0.000 0.000 0.198 515 E C 1.887 178.519 176.600 0.053 0.000 1.007 515 E CA 1.328 57.746 56.400 0.029 0.000 0.809 515 E CB -0.808 28.909 29.700 0.028 0.000 0.749 515 E HN 0.830 nan 8.360 nan 0.000 0.450 516 N N 0.883 119.629 118.700 0.077 0.000 2.061 516 N HA -0.226 4.514 4.740 -0.000 0.000 0.193 516 N C 1.817 177.372 175.510 0.075 0.000 1.030 516 N CA 1.361 54.461 53.050 0.084 0.000 0.856 516 N CB -0.199 38.350 38.487 0.104 0.000 1.023 516 N HN 0.405 nan 8.380 nan 0.000 0.424 517 H N -0.216 118.817 119.070 -0.061 0.000 2.353 517 H HA -0.073 4.483 4.556 -0.000 0.000 0.300 517 H C 1.979 177.273 175.328 -0.057 0.000 1.090 517 H CA 0.833 56.835 56.048 -0.075 0.000 1.327 517 H CB 0.207 29.922 29.762 -0.078 0.000 1.383 517 H HN 0.191 nan 8.280 nan 0.000 0.508 518 L N 1.086 122.360 121.223 0.084 0.000 2.079 518 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 518 L C 2.541 179.419 176.870 0.013 0.000 1.081 518 L CA 1.470 56.329 54.840 0.031 0.000 0.752 518 L CB -1.175 40.896 42.059 0.021 0.000 0.896 518 L HN 0.316 nan 8.230 nan 0.000 0.433 519 E N -0.144 120.065 120.200 0.016 0.000 2.085 519 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 519 E C 2.205 178.799 176.600 -0.011 0.000 0.994 519 E CA 1.385 57.789 56.400 0.006 0.000 0.801 519 E CB -0.212 29.496 29.700 0.014 0.000 0.743 519 E HN 0.198 nan 8.360 nan 0.000 0.453 520 V N -0.095 119.797 119.914 -0.037 0.000 2.287 520 V HA -0.353 3.766 4.120 -0.000 0.000 0.248 520 V C 2.613 178.677 176.094 -0.049 0.000 1.053 520 V CA 1.837 64.098 62.300 -0.064 0.000 1.027 520 V CB -0.616 31.122 31.823 -0.143 0.000 0.646 520 V HN 0.522 nan 8.190 nan 0.000 0.447 521 c N -0.912 117.661 118.600 -0.045 0.000 2.413 521 c HA -0.218 4.352 4.570 -0.000 0.000 0.277 521 c C 2.875 176.958 174.090 -0.011 0.000 1.228 521 c CA 1.456 57.764 56.329 -0.035 0.000 1.731 521 c CB -0.969 41.525 42.510 -0.027 0.000 2.042 521 c HN 0.600 nan 8.230 nan 0.000 0.468 522 Q N -0.222 119.576 119.800 -0.003 0.000 2.061 522 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 522 Q C 2.410 178.415 176.000 0.008 0.000 0.984 522 Q CA 1.989 57.795 55.803 0.005 0.000 0.846 522 Q CB -0.293 28.449 28.738 0.007 0.000 0.902 522 Q HN 0.657 nan 8.270 nan 0.000 0.421 523 S N -1.048 114.655 115.700 0.005 0.000 2.447 523 S HA -0.121 4.348 4.470 -0.000 0.000 0.233 523 S C 1.717 176.325 174.600 0.014 0.000 1.006 523 S CA 0.847 59.053 58.200 0.010 0.000 0.957 523 S CB -0.196 63.009 63.200 0.008 0.000 0.773 523 S HN 0.576 nan 8.310 nan 0.000 0.507 524 C N 1.156 120.461 119.300 0.008 0.000 2.696 524 C HA 0.448 4.908 4.460 -0.000 0.000 0.264 524 C C 1.076 176.085 174.990 0.032 0.000 1.288 524 C CA 0.263 59.291 59.018 0.017 0.000 1.717 524 C CB -1.652 26.084 27.740 -0.007 0.000 1.893 524 C HN 0.538 nan 8.230 nan 0.000 0.577 525 S N 0.396 116.112 115.700 0.027 0.000 3.631 525 S HA -0.139 4.331 4.470 -0.000 0.000 0.366 525 S C -0.295 174.334 174.600 0.049 0.000 0.993 525 S CA 0.650 58.870 58.200 0.034 0.000 1.167 525 S CB -1.295 61.926 63.200 0.034 0.000 0.909 525 S HN 0.555 nan 8.310 nan 0.000 0.478 526 V N 1.161 121.103 119.914 0.045 0.000 2.448 526 V HA 0.776 4.896 4.120 -0.000 0.000 0.295 526 V C 0.552 176.674 176.094 0.047 0.000 1.025 526 V CA -0.349 61.994 62.300 0.072 0.000 0.859 526 V CB 1.727 33.592 31.823 0.070 0.000 0.988 526 V HN 0.648 nan 8.190 nan 0.000 0.431 527 A N 3.062 125.916 122.820 0.057 0.000 2.346 527 A HA 0.553 4.873 4.320 -0.000 0.000 0.252 527 A C 0.592 178.193 177.584 0.030 0.000 1.089 527 A CA 0.075 52.133 52.037 0.035 0.000 0.797 527 A CB 0.617 19.634 19.000 0.029 0.000 1.047 527 A HN 0.855 nan 8.150 nan 0.000 0.494 528 T N 0.664 115.227 114.554 0.015 0.000 3.390 528 T HA 0.398 4.748 4.350 -0.000 0.000 0.351 528 T C 0.156 174.857 174.700 0.002 0.000 1.759 528 T CA -0.296 61.809 62.100 0.008 0.000 1.561 528 T CB -0.688 68.181 68.868 0.001 0.000 1.011 528 T HN 0.739 nan 8.240 nan 0.000 0.689 529 E N 1.599 121.800 120.200 0.002 0.000 3.770 529 E HA 0.551 4.901 4.350 -0.000 0.000 0.331 529 E C 0.671 177.256 176.600 -0.024 0.000 0.714 529 E CA -0.744 55.650 56.400 -0.010 0.000 1.547 529 E CB 0.587 30.282 29.700 -0.009 0.000 2.420 529 E HN 0.383 nan 8.360 nan 0.000 0.501 530 G N 1.310 110.088 108.800 -0.036 0.000 4.632 530 G HA2 0.169 4.129 3.960 -0.000 0.000 0.244 530 G HA3 0.169 4.129 3.960 -0.000 0.000 0.244 530 G C -0.783 174.069 174.900 -0.081 0.000 1.070 530 G CA -0.478 44.580 45.100 -0.070 0.000 0.791 530 G HN 0.247 nan 8.290 nan 0.000 0.544 531 N N 0.375 119.044 118.700 -0.052 0.000 2.470 531 N HA -0.119 4.620 4.740 -0.000 0.000 0.292 531 N C 1.276 176.759 175.510 -0.045 0.000 1.531 531 N CA 1.627 54.652 53.050 -0.043 0.000 0.780 531 N CB -0.490 37.961 38.487 -0.060 0.000 0.975 531 N HN 1.906 nan 8.380 nan 0.000 0.466 532 A N 1.574 124.375 122.820 -0.032 0.000 4.725 532 A HA -0.247 4.073 4.320 -0.000 0.000 0.343 532 A C 1.031 178.598 177.584 -0.028 0.000 1.760 532 A CA 3.178 55.197 52.037 -0.031 0.000 0.747 532 A CB -1.996 16.980 19.000 -0.042 0.000 1.450 532 A HN 2.283 nan 8.150 nan 0.000 0.454 533 A N -0.165 122.634 122.820 -0.034 0.000 2.587 533 A HA 0.494 4.813 4.320 -0.000 0.000 0.233 533 A C 0.937 178.504 177.584 -0.028 0.000 1.049 533 A CA 1.081 53.100 52.037 -0.031 0.000 0.754 533 A CB -0.391 18.587 19.000 -0.035 0.000 0.977 533 A HN 2.403 nan 8.150 nan 0.000 0.509 534 A N 3.348 126.155 122.820 -0.021 0.000 3.048 534 A HA 0.361 4.681 4.320 -0.000 0.000 0.264 534 A C 0.734 178.306 177.584 -0.020 0.000 1.796 534 A CA -0.153 51.873 52.037 -0.017 0.000 1.445 534 A CB -1.226 17.767 19.000 -0.012 0.000 1.074 534 A HN 0.980 nan 8.150 nan 0.000 0.621 535 N N 0.004 118.689 118.700 -0.026 0.000 2.701 535 N HA -0.170 4.570 4.740 -0.000 0.000 0.252 535 N C 0.882 176.378 175.510 -0.024 0.000 1.002 535 N CA 1.654 54.688 53.050 -0.028 0.000 0.758 535 N CB -0.891 37.582 38.487 -0.022 0.000 0.937 535 N HN 0.750 nan 8.380 nan 0.000 0.538 536 T N -2.192 112.347 114.554 -0.026 0.000 3.114 536 T HA 0.264 4.614 4.350 -0.000 0.000 0.240 536 T C 1.257 175.944 174.700 -0.023 0.000 0.983 536 T CA 0.609 62.696 62.100 -0.021 0.000 1.151 536 T CB 0.068 68.925 68.868 -0.019 0.000 0.974 536 T HN 0.168 nan 8.240 nan 0.000 0.442 537 L N -0.075 121.132 121.223 -0.028 0.000 2.948 537 L HA 0.427 4.767 4.340 -0.000 0.000 0.259 537 L C 0.173 177.021 176.870 -0.037 0.000 1.136 537 L CA 0.699 55.522 54.840 -0.028 0.000 0.959 537 L CB 0.617 42.660 42.059 -0.026 0.000 1.370 537 L HN 0.167 nan 8.230 nan 0.000 0.552 538 D N -0.714 119.658 120.400 -0.047 0.000 3.028 538 D HA -0.196 4.444 4.640 -0.000 0.000 0.211 538 D C -0.421 175.836 176.300 -0.071 0.000 1.136 538 D CA 1.190 55.149 54.000 -0.068 0.000 0.987 538 D CB -0.748 40.007 40.800 -0.075 0.000 1.128 538 D HN 0.035 nan 8.370 nan 0.000 0.406 539 L N 0.973 122.165 121.223 -0.052 0.000 2.272 539 L HA 0.424 4.764 4.340 -0.000 0.000 0.289 539 L C 1.317 178.161 176.870 -0.045 0.000 1.032 539 L CA -0.596 54.216 54.840 -0.048 0.000 0.810 539 L CB 0.963 43.000 42.059 -0.036 0.000 1.205 539 L HN 0.075 nan 8.230 nan 0.000 0.422 540 T N -1.556 112.969 114.554 -0.048 0.000 2.770 540 T HA 0.470 4.820 4.350 -0.000 0.000 0.281 540 T C -0.188 174.487 174.700 -0.042 0.000 0.981 540 T CA -0.634 61.437 62.100 -0.048 0.000 0.955 540 T CB 1.141 69.977 68.868 -0.054 0.000 1.060 540 T HN 0.497 nan 8.240 nan 0.000 0.531 541 D N 1.306 121.680 120.400 -0.043 0.000 2.978 541 D HA 0.264 4.904 4.640 -0.000 0.000 0.268 541 D C 0.083 176.355 176.300 -0.047 0.000 1.252 541 D CA -0.264 53.711 54.000 -0.041 0.000 0.771 541 D CB 0.569 41.349 40.800 -0.035 0.000 1.361 541 D HN 0.316 nan 8.370 nan 0.000 0.558 542 L N -0.228 120.962 121.223 -0.054 0.000 2.615 542 L HA 0.409 4.748 4.340 -0.000 0.000 0.155 542 L C 1.148 177.972 176.870 -0.077 0.000 1.194 542 L CA 0.056 54.856 54.840 -0.067 0.000 1.826 542 L CB -0.712 41.303 42.059 -0.074 0.000 2.324 542 L HN 0.021 nan 8.230 nan 0.000 0.520 543 T N -0.576 113.919 114.554 -0.099 0.000 3.078 543 T HA 0.666 5.015 4.350 -0.000 0.000 0.328 543 T C -0.325 174.295 174.700 -0.132 0.000 0.987 543 T CA -0.367 61.664 62.100 -0.116 0.000 1.049 543 T CB -0.154 68.629 68.868 -0.142 0.000 1.011 543 T HN 0.827 nan 8.240 nan 0.000 0.463 544 G N 2.589 111.321 108.800 -0.112 0.000 2.511 544 G HA2 0.628 4.588 3.960 -0.000 0.000 0.316 544 G HA3 0.628 4.588 3.960 -0.000 0.000 0.316 544 G C -0.286 174.533 174.900 -0.133 0.000 1.210 544 G CA -0.859 44.173 45.100 -0.114 0.000 0.969 544 G HN 0.853 nan 8.290 nan 0.000 0.492 545 E N -0.622 119.496 120.200 -0.136 0.000 2.349 545 E HA 0.134 4.484 4.350 -0.000 0.000 0.262 545 E C -0.406 176.122 176.600 -0.121 0.000 1.088 545 E CA -0.573 55.721 56.400 -0.177 0.000 0.899 545 E CB 0.917 30.510 29.700 -0.179 0.000 1.044 545 E HN 0.428 nan 8.360 nan 0.000 0.420 546 N N 0.519 119.137 118.700 -0.136 0.000 2.407 546 N HA 0.024 4.764 4.740 -0.000 0.000 0.250 546 N C -0.179 175.326 175.510 -0.010 0.000 1.236 546 N CA -0.164 52.858 53.050 -0.048 0.000 0.879 546 N CB 0.677 39.171 38.487 0.012 0.000 1.088 546 N HN 0.389 nan 8.380 nan 0.000 0.450 547 V N 0.109 120.019 119.914 -0.008 0.000 3.287 547 V HA 0.038 4.158 4.120 -0.000 0.000 0.306 547 V C 0.702 176.808 176.094 0.020 0.000 1.103 547 V CA -0.513 61.787 62.300 -0.001 0.000 1.159 547 V CB 0.488 32.300 31.823 -0.017 0.000 1.036 547 V HN 0.600 nan 8.190 nan 0.000 0.487 548 Q N -0.480 119.333 119.800 0.021 0.000 2.407 548 Q HA 0.217 4.557 4.340 -0.000 0.000 0.214 548 Q C 0.733 176.754 176.000 0.035 0.000 1.043 548 Q CA 0.262 56.091 55.803 0.043 0.000 0.983 548 Q CB 0.393 29.141 28.738 0.018 0.000 1.211 548 Q HN 0.829 nan 8.270 nan 0.000 0.564 549 H N -0.620 118.447 119.070 -0.005 0.000 2.539 549 H HA 0.378 4.933 4.556 -0.000 0.000 0.267 549 H C -0.115 175.207 175.328 -0.009 0.000 0.982 549 H CA 0.296 56.343 56.048 -0.001 0.000 1.146 549 H CB 0.356 30.116 29.762 -0.004 0.000 1.382 549 H HN 0.560 nan 8.280 nan 0.000 0.577 550 A N 0.000 122.876 122.820 0.094 0.000 2.254 550 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 550 A CA 0.000 52.070 52.037 0.056 0.000 0.836 550 A CB 0.000 19.016 19.000 0.027 0.000 0.831 550 A HN 0.000 nan 8.150 nan 0.000 0.486