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 2oz3_1_A DATA FIRST_RESID 0 DATA SEQUENCE SLSIPTIKQV RAFVLRGGGA DYHDQGDGHW IDDHISTPXG KYPEYRQSRR DATA SEQUENCE SFGINVLGTL VVEIEASDGN VGFAVTTGGE PAAYIVEKHL ARFLEGARVT DATA SEQUENCE DIERIWDQXY NSTLYYGRKG LVINTISGVD LALWDLLGKV RREPVHQLLG DATA SEQUENCE GAVRDELQFY ATGARPDLAQ KXGFIGGKXP LHHGPSEGEE GLKKNLEELA DATA SEQUENCE TXRERVGPDF WLXFDCWXSL DLNYATRLAR GAREYGLKWI EEALPPDDYW DATA SEQUENCE GYAELRRNAP TGXXVTTGEH EATRWGFRXL LEXGCCDIIQ PDVGWCGGVT DATA SEQUENCE ELLKISALAD AHNALVVPHG SSVYSYHFVA TRQNSPFAEF LXXAPKADQV DATA SEQUENCE VPXFHPQLLG EPVPENGRXR LSRLDQPGFG VTLNPECQLH RPYTHE 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.601 174.600 0.001 0.000 1.055 0 S CA 0.000 58.200 58.200 0.001 0.000 1.107 0 S CB 0.000 63.201 63.200 0.002 0.000 0.593 1 L N 2.407 123.630 121.223 -0.000 0.000 2.483 1 L HA 0.369 4.729 4.340 0.033 0.000 0.276 1 L C 0.323 177.193 176.870 -0.000 0.000 1.213 1 L CA 0.278 55.118 54.840 -0.000 0.000 0.843 1 L CB 1.304 43.362 42.059 -0.002 0.000 1.107 1 L HN 0.444 nan 8.230 nan 0.000 0.487 2 S N 4.800 120.501 115.700 0.001 0.000 2.473 2 S HA 0.292 4.782 4.470 0.033 0.000 0.312 2 S C 0.025 174.626 174.600 0.001 0.000 1.087 2 S CA -0.845 57.356 58.200 0.002 0.000 1.077 2 S CB -0.341 62.862 63.200 0.004 0.000 1.065 2 S HN 0.293 nan 8.310 nan 0.000 0.510 3 I N 7.905 128.474 120.570 -0.002 0.000 2.436 3 I HA 0.256 4.446 4.170 0.033 0.000 0.289 3 I C -1.561 174.555 176.117 -0.001 0.000 1.083 3 I CA -2.493 58.804 61.300 -0.005 0.000 1.372 3 I CB 0.053 38.047 38.000 -0.010 0.000 1.408 3 I HN 0.404 nan 8.210 nan 0.000 0.516 4 P HA 0.195 nan 4.420 nan 0.000 0.272 4 P C -0.187 177.116 177.300 0.005 0.000 1.230 4 P CA -0.179 62.925 63.100 0.006 0.000 0.788 4 P CB 0.588 32.294 31.700 0.010 0.000 0.949 5 T N -1.620 112.941 114.554 0.011 0.000 2.944 5 T HA 0.575 4.945 4.350 0.033 0.000 0.284 5 T C 0.448 175.160 174.700 0.020 0.000 1.010 5 T CA -0.893 61.215 62.100 0.013 0.000 1.025 5 T CB 0.533 69.410 68.868 0.015 0.000 1.079 5 T HN 0.195 nan 8.240 nan 0.000 0.516 6 I N 2.068 122.652 120.570 0.024 0.000 2.396 6 I HA 0.251 4.441 4.170 0.033 0.000 0.289 6 I C 1.601 177.741 176.117 0.038 0.000 1.056 6 I CA -0.349 60.972 61.300 0.034 0.000 1.365 6 I CB 1.068 39.090 38.000 0.037 0.000 1.407 6 I HN 0.805 nan 8.210 nan 0.000 0.509 7 K N 4.830 125.255 120.400 0.043 0.000 2.067 7 K HA 0.052 4.392 4.320 0.033 0.000 0.203 7 K C 0.481 177.112 176.600 0.051 0.000 1.048 7 K CA 0.935 57.246 56.287 0.041 0.000 0.954 7 K CB 0.378 32.901 32.500 0.039 0.000 0.737 7 K HN 0.672 nan 8.250 nan 0.000 0.444 8 Q N 0.351 120.190 119.800 0.065 0.000 2.320 8 Q HA 0.258 4.617 4.340 0.033 0.000 0.272 8 Q C -2.005 174.054 176.000 0.098 0.000 1.023 8 Q CA -0.642 55.212 55.803 0.084 0.000 0.855 8 Q CB 2.370 31.145 28.738 0.062 0.000 1.367 8 Q HN 0.050 nan 8.270 nan 0.000 0.406 9 V N 3.597 123.583 119.914 0.119 0.000 2.435 9 V HA 0.782 4.922 4.120 0.033 0.000 0.290 9 V C -1.366 174.786 176.094 0.096 0.000 1.030 9 V CA -0.243 62.113 62.300 0.094 0.000 0.881 9 V CB 1.547 33.399 31.823 0.048 0.000 0.983 9 V HN 0.864 nan 8.190 nan 0.000 0.445 10 R N 4.659 125.174 120.500 0.025 0.000 2.740 10 R HA 0.866 5.226 4.340 0.033 0.000 0.282 10 R C -0.766 175.381 176.300 -0.254 0.000 0.969 10 R CA -0.236 55.765 56.100 -0.165 0.000 0.918 10 R CB 2.250 32.367 30.300 -0.306 0.000 1.175 10 R HN 0.979 nan 8.270 nan 0.000 0.464 11 A N 2.864 125.462 122.820 -0.369 0.000 2.318 11 A HA 0.756 5.095 4.320 0.033 0.000 0.324 11 A C -1.212 176.095 177.584 -0.463 0.000 1.170 11 A CA -0.486 51.395 52.037 -0.259 0.000 0.810 11 A CB 0.457 19.415 19.000 -0.070 0.000 1.198 11 A HN 0.545 nan 8.150 nan 0.000 0.484 12 F N 1.062 121.049 119.950 0.062 0.000 2.561 12 F HA 0.579 5.127 4.527 0.035 0.000 0.321 12 F C 0.088 175.918 175.800 0.051 0.000 1.065 12 F CA -0.855 57.166 58.000 0.035 0.000 0.934 12 F CB 2.269 41.291 39.000 0.037 0.000 1.215 12 F HN 0.289 nan 8.300 nan 0.000 0.471 13 V N 3.740 123.799 119.914 0.242 0.000 2.427 13 V HA 0.479 4.619 4.120 0.033 0.000 0.286 13 V C -0.778 175.416 176.094 0.166 0.000 1.034 13 V CA -0.588 61.820 62.300 0.181 0.000 0.893 13 V CB 1.493 33.413 31.823 0.161 0.000 0.982 13 V HN 0.502 nan 8.190 nan 0.000 0.452 14 L N 5.801 127.092 121.223 0.113 0.000 2.354 14 L HA 0.760 5.120 4.340 0.033 0.000 0.269 14 L C -0.455 176.438 176.870 0.037 0.000 1.005 14 L CA -0.414 54.465 54.840 0.065 0.000 0.819 14 L CB 1.922 44.008 42.059 0.045 0.000 1.311 14 L HN 0.511 nan 8.230 nan 0.000 0.423 15 R N 2.808 123.319 120.500 0.018 0.000 2.575 15 R HA 0.761 5.121 4.340 0.033 0.000 0.293 15 R C -0.912 175.379 176.300 -0.015 0.000 0.983 15 R CA -0.411 55.690 56.100 0.001 0.000 0.887 15 R CB 1.692 31.998 30.300 0.009 0.000 1.184 15 R HN 0.871 nan 8.270 nan 0.000 0.445 16 G N 1.303 110.086 108.800 -0.028 0.000 2.949 16 G HA2 0.304 4.284 3.960 0.033 0.000 0.658 16 G HA3 0.304 4.284 3.960 0.033 0.000 0.658 16 G C 0.225 175.098 174.900 -0.043 0.000 1.194 16 G CA 0.045 45.127 45.100 -0.029 0.000 1.204 16 G HN 1.010 nan 8.290 nan 0.000 0.524 17 G N 0.692 109.459 108.800 -0.055 0.000 2.598 17 G HA2 0.431 4.411 3.960 0.033 0.000 0.244 17 G HA3 0.431 4.411 3.960 0.033 0.000 0.244 17 G C 1.447 176.258 174.900 -0.148 0.000 1.302 17 G CA 1.537 46.596 45.100 -0.067 0.000 0.903 17 G HN 3.031 nan 8.290 nan 0.000 0.575 18 G N -1.548 107.152 108.800 -0.167 0.000 2.514 18 G HA2 0.181 4.161 3.960 0.033 0.000 0.265 18 G HA3 0.181 4.161 3.960 0.033 0.000 0.265 18 G C 1.630 176.020 174.900 -0.850 0.000 1.150 18 G CA 2.482 47.369 45.100 -0.354 0.000 0.959 18 G HN 2.533 nan 8.290 nan 0.000 0.556 19 A N -0.458 121.796 122.820 -0.944 0.000 2.016 19 A HA 0.322 4.661 4.320 0.033 0.000 0.217 19 A C 1.258 178.295 177.584 -0.912 0.000 1.162 19 A CA 1.955 53.266 52.037 -1.210 0.000 0.662 19 A CB -0.236 18.435 19.000 -0.549 0.000 0.812 19 A HN 0.806 nan 8.150 nan 0.000 0.450 20 D N -0.753 119.322 120.400 -0.542 0.000 2.344 20 D HA 0.276 4.936 4.640 0.033 0.000 0.253 20 D C 0.456 176.472 176.300 -0.473 0.000 1.255 20 D CA -0.205 53.548 54.000 -0.412 0.000 0.894 20 D CB 0.122 40.827 40.800 -0.159 0.000 1.067 20 D HN 0.397 nan 8.370 nan 0.000 0.492 21 Y N 1.636 121.745 120.300 -0.318 0.000 2.263 21 Y HA -0.064 4.506 4.550 0.034 0.000 0.292 21 Y C 1.628 177.252 175.900 -0.459 0.000 1.130 21 Y CA 0.971 58.808 58.100 -0.438 0.000 1.179 21 Y CB -0.446 37.710 38.460 -0.506 0.000 0.998 21 Y HN 0.590 nan 8.280 nan 0.000 0.532 22 H N -1.546 117.541 119.070 0.029 0.000 2.524 22 H HA 0.116 4.690 4.556 0.029 0.000 0.280 22 H C -0.143 175.108 175.328 -0.128 0.000 1.018 22 H CA -0.039 55.943 56.048 -0.109 0.000 1.165 22 H CB -0.021 29.686 29.762 -0.092 0.000 1.411 22 H HN 0.045 nan 8.280 nan 0.000 0.569 23 D N 2.152 122.518 120.400 -0.056 0.000 2.619 23 D HA 0.042 4.701 4.640 0.033 0.000 0.224 23 D C 0.007 176.267 176.300 -0.067 0.000 1.133 23 D CA -0.359 53.606 54.000 -0.058 0.000 1.017 23 D CB -0.040 40.723 40.800 -0.063 0.000 1.077 23 D HN 0.524 nan 8.370 nan 0.000 0.503 24 Q N -0.207 119.550 119.800 -0.072 0.000 2.814 24 Q HA 0.820 5.180 4.340 0.033 0.000 0.283 24 Q C 0.075 176.060 176.000 -0.026 0.000 1.071 24 Q CA -1.221 54.554 55.803 -0.047 0.000 0.849 24 Q CB 1.311 30.004 28.738 -0.076 0.000 1.437 24 Q HN -0.014 nan 8.270 nan 0.000 0.492 25 G N 0.345 109.147 108.800 0.005 0.000 4.775 25 G HA2 0.418 4.398 3.960 0.033 0.000 0.222 25 G HA3 0.418 4.398 3.960 0.033 0.000 0.222 25 G C -1.278 173.634 174.900 0.020 0.000 0.974 25 G CA 0.078 45.180 45.100 0.003 0.000 0.614 25 G HN 0.723 nan 8.290 nan 0.000 0.427 26 D N -0.744 119.676 120.400 0.034 0.000 4.378 26 D HA 0.325 4.984 4.640 0.033 0.000 0.318 26 D C 0.551 176.879 176.300 0.046 0.000 1.651 26 D CA 0.010 54.035 54.000 0.042 0.000 0.976 26 D CB 0.532 41.364 40.800 0.053 0.000 1.451 26 D HN 0.320 nan 8.370 nan 0.000 0.665 27 G N -0.018 108.812 108.800 0.050 0.000 4.699 27 G HA2 0.186 4.166 3.960 0.033 0.000 0.308 27 G HA3 0.186 4.166 3.960 0.033 0.000 0.308 27 G C -0.409 174.534 174.900 0.071 0.000 1.399 27 G CA -0.196 44.935 45.100 0.052 0.000 1.221 27 G HN 0.350 nan 8.290 nan 0.000 0.596 28 H N 0.994 120.063 119.070 -0.002 0.000 2.525 28 H HA 0.093 4.670 4.556 0.036 0.000 0.339 28 H C 1.330 176.645 175.328 -0.022 0.000 1.109 28 H CA -0.807 55.219 56.048 -0.037 0.000 1.352 28 H CB 0.991 30.663 29.762 -0.150 0.000 1.461 28 H HN 0.547 nan 8.280 nan 0.000 0.533 29 W N 5.112 126.589 121.300 0.295 0.000 2.331 29 W HA -0.154 4.528 4.660 0.036 0.000 0.291 29 W C 1.066 177.737 176.519 0.254 0.000 1.214 29 W CA 0.524 58.018 57.345 0.248 0.000 1.228 29 W CB -0.813 28.766 29.460 0.199 0.000 1.135 29 W HN 0.536 nan 8.180 nan 0.000 0.537 30 I N 1.385 121.493 120.570 -0.771 0.000 2.830 30 I HA -0.185 4.005 4.170 0.033 0.000 0.263 30 I C 0.990 176.859 176.117 -0.413 0.000 1.230 30 I CA 1.716 62.392 61.300 -1.040 0.000 1.480 30 I CB -0.344 36.794 38.000 -1.436 0.000 1.095 30 I HN -0.182 nan 8.210 nan 0.000 0.455 31 D N -0.204 120.062 120.400 -0.223 0.000 2.501 31 D HA 0.021 4.681 4.640 0.033 0.000 0.224 31 D C -0.286 176.009 176.300 -0.007 0.000 1.202 31 D CA -0.075 53.846 54.000 -0.133 0.000 0.829 31 D CB 0.069 40.789 40.800 -0.132 0.000 1.023 31 D HN 0.070 nan 8.370 nan 0.000 0.499 32 D N -0.104 120.353 120.400 0.095 0.000 2.500 32 D HA 0.068 4.728 4.640 0.033 0.000 0.219 32 D C -0.029 176.425 176.300 0.257 0.000 1.137 32 D CA -0.063 54.034 54.000 0.162 0.000 0.946 32 D CB -0.422 40.490 40.800 0.188 0.000 1.022 32 D HN 0.159 nan 8.370 nan 0.000 0.518 33 H N 3.161 122.277 119.070 0.076 0.000 2.791 33 H HA -0.166 4.411 4.556 0.035 0.000 0.302 33 H C -0.451 174.982 175.328 0.176 0.000 1.198 33 H CA 0.141 56.239 56.048 0.083 0.000 1.145 33 H CB -0.667 29.097 29.762 0.004 0.000 1.385 33 H HN 0.380 nan 8.280 nan 0.000 0.409 34 I N 1.517 122.175 120.570 0.146 0.000 2.587 34 I HA -0.051 4.139 4.170 0.033 0.000 0.284 34 I C 1.434 177.548 176.117 -0.006 0.000 1.134 34 I CA 0.547 61.881 61.300 0.058 0.000 1.410 34 I CB 0.642 38.604 38.000 -0.064 0.000 1.392 34 I HN 0.207 nan 8.210 nan 0.000 0.545 35 S N 5.627 121.331 115.700 0.006 0.000 2.546 35 S HA 0.215 4.704 4.470 0.033 0.000 0.290 35 S C 0.298 174.970 174.600 0.120 0.000 1.290 35 S CA -0.076 58.137 58.200 0.022 0.000 1.069 35 S CB -0.086 63.118 63.200 0.007 0.000 0.846 35 S HN 0.863 nan 8.310 nan 0.000 0.495 36 T N 3.249 117.882 114.554 0.131 0.000 2.841 36 T HA 0.689 5.059 4.350 0.033 0.000 0.296 36 T C -3.073 171.672 174.700 0.075 0.000 1.166 36 T CA -1.832 60.426 62.100 0.263 0.000 1.007 36 T CB 0.989 70.049 68.868 0.319 0.000 1.253 36 T HN 0.338 nan 8.240 nan 0.000 0.511 40 K N 0.018 120.324 120.400 -0.155 0.000 2.283 40 K HA 0.066 4.406 4.320 0.033 0.000 0.202 40 K C -0.123 176.277 176.600 -0.333 0.000 1.048 40 K CA 0.344 56.463 56.287 -0.280 0.000 0.948 40 K CB -0.208 32.045 32.500 -0.411 0.000 0.742 40 K HN 0.281 nan 8.250 nan 0.000 0.458 41 Y N 1.651 121.983 120.300 0.053 0.000 2.425 41 Y HA 0.231 4.800 4.550 0.032 0.000 0.347 41 Y C -1.731 174.237 175.900 0.113 0.000 0.976 41 Y CA -2.920 55.248 58.100 0.112 0.000 1.190 41 Y CB 1.122 39.721 38.460 0.232 0.000 1.136 41 Y HN -0.062 nan 8.280 nan 0.000 0.517 42 P HA -0.228 nan 4.420 nan 0.000 0.217 42 P C 0.562 177.911 177.300 0.082 0.000 1.151 42 P CA 1.771 64.939 63.100 0.114 0.000 0.849 42 P CB 0.358 32.110 31.700 0.087 0.000 0.787 43 E N -2.697 117.533 120.200 0.050 0.000 2.427 43 E HA -0.101 4.269 4.350 0.033 0.000 0.196 43 E C 0.795 177.233 176.600 -0.270 0.000 1.028 43 E CA 0.843 57.158 56.400 -0.140 0.000 0.864 43 E CB -0.665 28.872 29.700 -0.271 0.000 0.813 43 E HN 0.448 nan 8.360 nan 0.000 0.514 44 Y N -0.439 119.933 120.300 0.119 0.000 2.507 44 Y HA 0.324 4.896 4.550 0.037 0.000 0.254 44 Y C 1.842 177.816 175.900 0.124 0.000 1.171 44 Y CA -0.468 57.724 58.100 0.154 0.000 1.238 44 Y CB 0.371 38.968 38.460 0.229 0.000 1.148 44 Y HN -0.098 nan 8.280 nan 0.000 0.525 45 R N 0.187 120.767 120.500 0.134 0.000 2.080 45 R HA -0.142 4.218 4.340 0.033 0.000 0.222 45 R C 2.129 178.313 176.300 -0.194 0.000 1.107 45 R CA 1.225 57.305 56.100 -0.032 0.000 0.980 45 R CB 0.149 30.416 30.300 -0.056 0.000 0.879 45 R HN 0.218 nan 8.270 nan 0.000 0.439 46 Q N 0.281 120.040 119.800 -0.069 0.000 2.079 46 Q HA 0.007 4.366 4.340 0.033 0.000 0.200 46 Q C -0.108 175.884 176.000 -0.013 0.000 0.974 46 Q CA 1.297 57.101 55.803 0.002 0.000 0.840 46 Q CB 0.136 28.925 28.738 0.085 0.000 0.898 46 Q HN 0.123 nan 8.270 nan 0.000 0.430 47 S N -0.988 114.699 115.700 -0.021 0.000 2.532 47 S HA 0.450 4.940 4.470 0.033 0.000 0.299 47 S C 0.075 174.591 174.600 -0.140 0.000 1.105 47 S CA -0.776 57.382 58.200 -0.071 0.000 1.018 47 S CB 0.936 64.096 63.200 -0.067 0.000 1.021 47 S HN 0.374 nan 8.310 nan 0.000 0.483 48 R N 2.412 122.729 120.500 -0.304 0.000 2.119 48 R HA 0.103 4.463 4.340 0.033 0.000 0.222 48 R C 1.961 177.691 176.300 -0.950 0.000 1.088 48 R CA 0.702 56.358 56.100 -0.740 0.000 0.984 48 R CB -0.072 29.821 30.300 -0.679 0.000 0.884 48 R HN 0.620 nan 8.270 nan 0.000 0.447 49 R N 0.594 120.808 120.500 -0.478 0.000 2.159 49 R HA -0.101 4.259 4.340 0.033 0.000 0.237 49 R C 2.435 178.590 176.300 -0.241 0.000 1.131 49 R CA 1.698 57.601 56.100 -0.328 0.000 0.982 49 R CB -0.294 29.896 30.300 -0.183 0.000 0.868 49 R HN 0.254 nan 8.270 nan 0.000 0.453 50 S N 1.242 116.841 115.700 -0.169 0.000 2.399 50 S HA -0.163 4.327 4.470 0.033 0.000 0.231 50 S C 1.747 176.499 174.600 0.254 0.000 1.022 50 S CA 1.188 59.405 58.200 0.028 0.000 0.983 50 S CB -0.482 62.743 63.200 0.042 0.000 0.803 50 S HN 0.517 nan 8.310 nan 0.000 0.480 51 F N 0.724 120.808 119.950 0.222 0.000 2.797 51 F HA 0.618 5.160 4.527 0.025 0.000 0.302 51 F C 1.259 177.056 175.800 -0.005 0.000 1.130 51 F CA -0.494 57.532 58.000 0.043 0.000 1.387 51 F CB -0.646 38.248 39.000 -0.175 0.000 1.107 51 F HN 0.329 nan 8.300 nan 0.000 0.577 52 G N 1.693 110.406 108.800 -0.144 0.000 2.215 52 G HA2 -0.260 3.720 3.960 0.033 0.000 0.198 52 G HA3 -0.260 3.720 3.960 0.033 0.000 0.198 52 G C 0.696 175.561 174.900 -0.059 0.000 1.047 52 G CA 0.148 45.216 45.100 -0.054 0.000 0.747 52 G HN 0.546 nan 8.290 nan 0.000 0.495 53 I N 0.382 120.789 120.570 -0.271 0.000 2.567 53 I HA -0.147 4.043 4.170 0.033 0.000 0.257 53 I C 1.940 178.040 176.117 -0.029 0.000 1.184 53 I CA 1.798 63.014 61.300 -0.139 0.000 1.451 53 I CB 0.067 37.840 38.000 -0.378 0.000 1.089 53 I HN 0.487 nan 8.210 nan 0.000 0.441 54 N N -0.248 118.416 118.700 -0.060 0.000 2.203 54 N HA -0.050 4.710 4.740 0.033 0.000 0.207 54 N C 1.334 176.839 175.510 -0.007 0.000 1.130 54 N CA 0.141 53.179 53.050 -0.020 0.000 0.861 54 N CB -0.211 38.248 38.487 -0.047 0.000 1.005 54 N HN 0.191 nan 8.380 nan 0.000 0.507 55 V N 0.848 120.762 119.914 -0.001 0.000 2.594 55 V HA -0.098 4.042 4.120 0.033 0.000 0.253 55 V C 1.945 178.050 176.094 0.018 0.000 1.069 55 V CA 1.394 63.699 62.300 0.009 0.000 1.082 55 V CB -0.207 31.626 31.823 0.016 0.000 0.680 55 V HN 0.266 nan 8.190 nan 0.000 0.469 56 L N -0.590 120.645 121.223 0.021 0.000 2.084 56 L HA 0.439 4.799 4.340 0.033 0.000 0.202 56 L C 1.443 178.332 176.870 0.031 0.000 1.074 56 L CA 0.929 55.785 54.840 0.027 0.000 0.757 56 L CB -0.846 41.225 42.059 0.020 0.000 0.918 56 L HN 0.500 nan 8.230 nan 0.000 0.444 57 G N -0.302 108.508 108.800 0.018 0.000 2.660 57 G HA2 -0.209 3.770 3.960 0.033 0.000 0.215 57 G HA3 -0.209 3.770 3.960 0.033 0.000 0.215 57 G C -0.363 174.542 174.900 0.008 0.000 1.345 57 G CA -0.448 44.659 45.100 0.011 0.000 0.877 57 G HN 0.067 nan 8.290 nan 0.000 0.549 58 T N 0.826 115.385 114.554 0.009 0.000 2.767 58 T HA 0.513 4.883 4.350 0.033 0.000 0.288 58 T C 0.234 174.974 174.700 0.067 0.000 0.963 58 T CA -0.065 62.041 62.100 0.010 0.000 1.019 58 T CB 1.463 70.319 68.868 -0.021 0.000 0.923 58 T HN 1.033 nan 8.240 nan 0.000 0.468 59 L N 5.647 126.918 121.223 0.080 0.000 2.290 59 L HA 0.531 4.891 4.340 0.033 0.000 0.284 59 L C -0.740 176.219 176.870 0.148 0.000 1.078 59 L CA -0.168 54.741 54.840 0.114 0.000 0.815 59 L CB 0.583 42.703 42.059 0.102 0.000 1.162 59 L HN 0.399 nan 8.230 nan 0.000 0.435 60 V N 6.263 126.303 119.914 0.209 0.000 2.370 60 V HA 0.409 4.549 4.120 0.033 0.000 0.283 60 V C -0.148 176.128 176.094 0.303 0.000 1.023 60 V CA -0.660 61.812 62.300 0.286 0.000 0.857 60 V CB 1.424 33.440 31.823 0.321 0.000 0.985 60 V HN 0.547 nan 8.190 nan 0.000 0.443 61 V N 4.669 124.743 119.914 0.268 0.000 2.398 61 V HA 0.447 4.587 4.120 0.033 0.000 0.286 61 V C 0.020 176.297 176.094 0.305 0.000 1.026 61 V CA -0.473 61.961 62.300 0.223 0.000 0.868 61 V CB 1.574 33.482 31.823 0.142 0.000 0.982 61 V HN 0.901 nan 8.190 nan 0.000 0.443 62 E N 4.372 124.749 120.200 0.296 0.000 2.199 62 E HA 0.626 4.996 4.350 0.033 0.000 0.265 62 E C -1.412 175.320 176.600 0.221 0.000 0.882 62 E CA -0.597 55.998 56.400 0.326 0.000 0.759 62 E CB 2.029 31.986 29.700 0.428 0.000 1.148 62 E HN 0.598 nan 8.360 nan 0.000 0.412 63 I N 3.048 123.740 120.570 0.204 0.000 2.439 63 I HA 0.242 4.432 4.170 0.033 0.000 0.285 63 I C -0.231 175.966 176.117 0.133 0.000 1.021 63 I CA -0.516 60.870 61.300 0.145 0.000 1.091 63 I CB 1.801 39.873 38.000 0.120 0.000 1.242 63 I HN 0.392 nan 8.210 nan 0.000 0.439 64 E N 5.132 125.399 120.200 0.111 0.000 2.197 64 E HA 0.681 5.051 4.350 0.033 0.000 0.281 64 E C -0.732 175.911 176.600 0.071 0.000 0.995 64 E CA -0.492 55.965 56.400 0.094 0.000 0.808 64 E CB 1.650 31.402 29.700 0.087 0.000 1.093 64 E HN 0.732 nan 8.360 nan 0.000 0.394 65 A N 2.303 125.160 122.820 0.062 0.000 2.256 65 A HA 0.269 4.608 4.320 0.033 0.000 0.318 65 A C 0.962 178.569 177.584 0.038 0.000 1.103 65 A CA -0.022 52.042 52.037 0.045 0.000 0.860 65 A CB 0.911 19.934 19.000 0.038 0.000 1.182 65 A HN 0.761 nan 8.150 nan 0.000 0.501 66 S N -0.337 115.381 115.700 0.029 0.000 2.481 66 S HA -0.124 4.366 4.470 0.033 0.000 0.231 66 S C 0.812 175.426 174.600 0.024 0.000 0.996 66 S CA 1.285 59.500 58.200 0.025 0.000 0.942 66 S CB -0.351 62.861 63.200 0.020 0.000 0.768 66 S HN 0.804 nan 8.310 nan 0.000 0.520 67 D N 0.444 120.859 120.400 0.025 0.000 2.340 67 D HA 0.225 4.885 4.640 0.033 0.000 0.220 67 D C 1.455 177.772 176.300 0.028 0.000 1.039 67 D CA 0.663 54.677 54.000 0.024 0.000 0.866 67 D CB -0.594 40.218 40.800 0.021 0.000 0.913 67 D HN 0.558 nan 8.370 nan 0.000 0.523 68 G N 0.014 108.835 108.800 0.034 0.000 2.195 68 G HA2 -0.280 3.700 3.960 0.033 0.000 0.246 68 G HA3 -0.280 3.700 3.960 0.033 0.000 0.246 68 G C 0.160 175.089 174.900 0.049 0.000 0.984 68 G CA -0.136 44.988 45.100 0.039 0.000 0.633 68 G HN 0.394 nan 8.290 nan 0.000 0.525 69 N N 0.303 119.034 118.700 0.051 0.000 2.492 69 N HA 0.402 5.162 4.740 0.033 0.000 0.260 69 N C -0.010 175.551 175.510 0.085 0.000 1.215 69 N CA 0.617 53.705 53.050 0.064 0.000 0.923 69 N CB 1.557 40.077 38.487 0.055 0.000 1.092 69 N HN 0.251 nan 8.380 nan 0.000 0.448 70 V N 0.615 120.597 119.914 0.113 0.000 2.531 70 V HA 0.553 4.692 4.120 0.033 0.000 0.301 70 V C 0.690 176.912 176.094 0.214 0.000 1.034 70 V CA -1.036 61.355 62.300 0.152 0.000 0.865 70 V CB 1.644 33.557 31.823 0.149 0.000 0.995 70 V HN 0.690 nan 8.190 nan 0.000 0.424 71 G N 3.368 112.300 108.800 0.219 0.000 2.389 71 G HA2 0.806 4.786 3.960 0.033 0.000 0.328 71 G HA3 0.806 4.786 3.960 0.033 0.000 0.328 71 G C -1.116 174.009 174.900 0.375 0.000 1.133 71 G CA -0.476 44.782 45.100 0.262 0.000 0.891 71 G HN 0.836 nan 8.290 nan 0.000 0.485 72 F N -0.218 119.854 119.950 0.203 0.000 2.626 72 F HA 0.886 5.432 4.527 0.030 0.000 0.311 72 F C -0.382 175.553 175.800 0.225 0.000 1.088 72 F CA -1.449 56.672 58.000 0.201 0.000 0.949 72 F CB 1.749 40.862 39.000 0.188 0.000 1.322 72 F HN 0.788 nan 8.300 nan 0.000 0.461 73 A N 1.311 124.208 122.820 0.129 0.000 2.556 73 A HA 0.806 5.146 4.320 0.033 0.000 0.294 73 A C -1.410 176.256 177.584 0.137 0.000 1.091 73 A CA -0.546 51.445 52.037 -0.077 0.000 0.704 73 A CB 1.649 20.469 19.000 -0.300 0.000 1.300 73 A HN 1.598 nan 8.150 nan 0.000 0.406 74 V N -0.850 119.131 119.914 0.112 0.000 2.513 74 V HA 0.919 5.058 4.120 0.033 0.000 0.299 74 V C -0.025 176.097 176.094 0.047 0.000 1.035 74 V CA -0.134 62.275 62.300 0.182 0.000 0.889 74 V CB 0.881 32.906 31.823 0.338 0.000 0.988 74 V HN 1.145 nan 8.190 nan 0.000 0.440 75 T N 1.751 116.332 114.554 0.046 0.000 0.000 75 T HA 0.503 4.872 4.350 0.033 0.000 0.000 75 T C -0.299 174.443 174.700 0.070 0.000 0.000 75 T CA -0.227 61.908 62.100 0.059 0.000 0.000 75 T CB 2.067 70.990 68.868 0.093 0.000 0.000 75 T HN 0.907 nan 8.240 nan 0.000 0.000 76 T N 1.147 115.804 114.554 0.172 0.000 2.832 76 T HA 0.544 4.914 4.350 0.033 0.000 0.296 76 T C 1.021 175.772 174.700 0.086 0.000 0.968 76 T CA 0.520 62.690 62.100 0.116 0.000 1.107 76 T CB 0.917 69.884 68.868 0.166 0.000 0.916 76 T HN 0.924 nan 8.240 nan 0.000 0.517 77 G N 0.948 109.781 108.800 0.054 0.000 3.897 77 G HA2 0.395 4.374 3.960 0.033 0.000 0.207 77 G HA3 0.395 4.374 3.960 0.033 0.000 0.207 77 G C 0.647 175.584 174.900 0.062 0.000 0.872 77 G CA 0.360 45.489 45.100 0.049 0.000 0.872 77 G HN 1.251 nan 8.290 nan 0.000 0.442 78 G N 0.775 109.619 108.800 0.073 0.000 2.582 78 G HA2 -0.367 3.613 3.960 0.033 0.000 0.288 78 G HA3 -0.367 3.613 3.960 0.033 0.000 0.288 78 G C 0.781 175.754 174.900 0.121 0.000 1.247 78 G CA 1.320 46.474 45.100 0.089 0.000 0.972 78 G HN 0.825 nan 8.290 nan 0.000 0.557 79 E N 1.253 121.537 120.200 0.139 0.000 2.072 79 E HA -0.055 4.315 4.350 0.033 0.000 0.191 79 E C 0.379 177.128 176.600 0.247 0.000 0.985 79 E CA 1.478 58.007 56.400 0.216 0.000 0.801 79 E CB -0.349 29.473 29.700 0.204 0.000 0.750 79 E HN 0.393 nan 8.360 nan 0.000 0.452 80 P HA -0.158 nan 4.420 nan 0.000 0.216 80 P C 0.964 178.331 177.300 0.113 0.000 1.150 80 P CA 1.745 64.901 63.100 0.094 0.000 0.837 80 P CB -0.017 31.708 31.700 0.041 0.000 0.786 81 A N 0.573 123.457 122.820 0.107 0.000 1.898 81 A HA -0.002 4.338 4.320 0.033 0.000 0.216 81 A C 2.497 180.145 177.584 0.106 0.000 1.181 81 A CA 1.965 54.061 52.037 0.098 0.000 0.620 81 A CB -1.513 17.535 19.000 0.080 0.000 0.819 81 A HN 0.210 nan 8.150 nan 0.000 0.442 82 A N -1.356 121.546 122.820 0.137 0.000 1.908 82 A HA -0.183 4.157 4.320 0.033 0.000 0.218 82 A C 2.121 179.765 177.584 0.100 0.000 1.181 82 A CA 1.733 53.856 52.037 0.144 0.000 0.627 82 A CB -0.888 18.239 19.000 0.210 0.000 0.818 82 A HN 0.736 nan 8.150 nan 0.000 0.445 83 Y N 0.367 120.582 120.300 -0.142 0.000 2.128 83 Y HA -0.234 4.334 4.550 0.030 0.000 0.284 83 Y C 2.043 177.809 175.900 -0.223 0.000 1.154 83 Y CA 2.081 59.866 58.100 -0.526 0.000 1.149 83 Y CB -0.231 37.806 38.460 -0.704 0.000 0.976 83 Y HN 0.289 nan 8.280 nan 0.000 0.505 84 I N -1.180 119.466 120.570 0.127 0.000 2.179 84 I HA -0.316 3.874 4.170 0.033 0.000 0.242 84 I C 2.218 178.353 176.117 0.030 0.000 1.088 84 I CA 1.192 62.578 61.300 0.143 0.000 1.357 84 I CB -0.594 37.521 38.000 0.191 0.000 1.051 84 I HN 0.079 nan 8.210 nan 0.000 0.409 85 V N 0.629 120.539 119.914 -0.007 0.000 2.255 85 V HA -0.276 3.864 4.120 0.033 0.000 0.247 85 V C 2.491 178.496 176.094 -0.148 0.000 1.051 85 V CA 1.939 64.210 62.300 -0.047 0.000 1.018 85 V CB -0.650 31.160 31.823 -0.022 0.000 0.641 85 V HN 0.424 nan 8.190 nan 0.000 0.445 86 E N -0.102 119.990 120.200 -0.180 0.000 2.051 86 E HA -0.127 4.243 4.350 0.033 0.000 0.189 86 E C 2.309 178.690 176.600 -0.365 0.000 0.979 86 E CA 0.838 57.086 56.400 -0.252 0.000 0.803 86 E CB -0.172 29.490 29.700 -0.063 0.000 0.761 86 E HN 0.483 nan 8.360 nan 0.000 0.451 87 K N -0.159 120.008 120.400 -0.389 0.000 2.137 87 K HA -0.033 4.307 4.320 0.033 0.000 0.202 87 K C 2.005 178.477 176.600 -0.215 0.000 1.052 87 K CA 1.010 57.057 56.287 -0.400 0.000 0.961 87 K CB -0.322 31.709 32.500 -0.782 0.000 0.741 87 K HN 0.343 nan 8.250 nan 0.000 0.452 88 H N -0.165 118.776 119.070 -0.216 0.000 2.334 88 H HA 0.217 4.785 4.556 0.020 0.000 0.315 88 H C 2.083 177.331 175.328 -0.133 0.000 1.056 88 H CA 0.303 56.297 56.048 -0.090 0.000 1.418 88 H CB 0.413 30.233 29.762 0.095 0.000 1.464 88 H HN -0.119 nan 8.280 nan 0.000 0.587 89 L N 0.471 121.714 121.223 0.033 0.000 2.156 89 L HA -0.025 4.335 4.340 0.033 0.000 0.208 89 L C 2.829 179.662 176.870 -0.062 0.000 1.095 89 L CA 0.743 55.612 54.840 0.049 0.000 0.770 89 L CB -0.419 41.658 42.059 0.029 0.000 0.914 89 L HN 0.360 nan 8.230 nan 0.000 0.439 90 A N 1.348 124.039 122.820 -0.215 0.000 1.978 90 A HA -0.239 4.100 4.320 0.033 0.000 0.220 90 A C 2.390 179.820 177.584 -0.257 0.000 1.170 90 A CA 1.801 53.676 52.037 -0.270 0.000 0.636 90 A CB -0.664 17.988 19.000 -0.580 0.000 0.810 90 A HN 0.557 nan 8.150 nan 0.000 0.448 91 R N -1.364 118.898 120.500 -0.397 0.000 2.170 91 R HA -0.154 4.206 4.340 0.033 0.000 0.242 91 R C 1.165 177.227 176.300 -0.395 0.000 1.145 91 R CA 2.029 57.867 56.100 -0.437 0.000 0.984 91 R CB -0.671 29.287 30.300 -0.570 0.000 0.869 91 R HN 0.443 nan 8.270 nan 0.000 0.455 92 F N 0.070 120.004 119.950 -0.026 0.000 2.743 92 F HA 0.200 4.742 4.527 0.025 0.000 0.297 92 F C 1.609 177.402 175.800 -0.012 0.000 1.131 92 F CA 0.131 58.121 58.000 -0.017 0.000 1.426 92 F CB 0.034 39.014 39.000 -0.033 0.000 1.116 92 F HN -0.074 nan 8.300 nan 0.000 0.583 93 L N -0.717 120.565 121.223 0.099 0.000 2.349 93 L HA 0.124 4.484 4.340 0.033 0.000 0.200 93 L C 0.656 177.553 176.870 0.045 0.000 1.064 93 L CA 0.504 55.387 54.840 0.072 0.000 0.821 93 L CB -0.239 41.853 42.059 0.055 0.000 1.027 93 L HN -0.173 nan 8.230 nan 0.000 0.476 94 E N 0.100 120.316 120.200 0.025 0.000 2.351 94 E HA 0.299 4.668 4.350 0.033 0.000 0.266 94 E C 0.870 177.486 176.600 0.027 0.000 1.031 94 E CA 0.740 57.159 56.400 0.032 0.000 0.911 94 E CB 0.207 29.934 29.700 0.045 0.000 0.986 94 E HN 0.377 nan 8.360 nan 0.000 0.446 95 G N 2.340 111.157 108.800 0.029 0.000 2.213 95 G HA2 -0.292 3.687 3.960 0.033 0.000 0.236 95 G HA3 -0.292 3.687 3.960 0.033 0.000 0.236 95 G C 0.366 175.282 174.900 0.027 0.000 0.991 95 G CA -0.137 44.978 45.100 0.025 0.000 0.629 95 G HN 0.771 nan 8.290 nan 0.000 0.517 96 A N 0.447 123.286 122.820 0.031 0.000 2.322 96 A HA 0.763 5.103 4.320 0.033 0.000 0.269 96 A C 0.792 178.386 177.584 0.016 0.000 1.094 96 A CA -0.089 51.965 52.037 0.029 0.000 0.807 96 A CB 0.326 19.350 19.000 0.039 0.000 1.047 96 A HN 0.547 nan 8.150 nan 0.000 0.487 97 R N 0.464 120.969 120.500 0.007 0.000 2.679 97 R HA 0.157 4.517 4.340 0.033 0.000 0.268 97 R C 1.380 177.667 176.300 -0.021 0.000 1.044 97 R CA 0.346 56.443 56.100 -0.005 0.000 1.105 97 R CB 0.366 30.661 30.300 -0.009 0.000 0.989 97 R HN 0.688 nan 8.270 nan 0.000 0.447 98 V N -0.995 118.902 119.914 -0.029 0.000 2.913 98 V HA -0.174 3.966 4.120 0.033 0.000 0.260 98 V C 1.715 177.744 176.094 -0.108 0.000 1.098 98 V CA 1.869 64.136 62.300 -0.055 0.000 1.121 98 V CB -0.831 30.967 31.823 -0.041 0.000 0.714 98 V HN 0.960 nan 8.190 nan 0.000 0.487 99 T N -3.221 111.277 114.554 -0.093 0.000 3.148 99 T HA 0.029 4.399 4.350 0.033 0.000 0.253 99 T C 0.769 175.402 174.700 -0.112 0.000 1.134 99 T CA 0.647 62.675 62.100 -0.121 0.000 1.051 99 T CB -0.524 68.297 68.868 -0.078 0.000 0.959 99 T HN 0.434 nan 8.240 nan 0.000 0.525 100 D N 0.972 121.325 120.400 -0.078 0.000 2.856 100 D HA 0.315 4.975 4.640 0.033 0.000 0.242 100 D C 1.215 177.487 176.300 -0.046 0.000 1.226 100 D CA -0.150 53.825 54.000 -0.042 0.000 0.855 100 D CB -0.367 40.428 40.800 -0.007 0.000 1.065 100 D HN 0.461 nan 8.370 nan 0.000 0.462 101 I N 0.224 120.727 120.570 -0.112 0.000 2.233 101 I HA -0.193 3.997 4.170 0.033 0.000 0.243 101 I C 2.256 178.387 176.117 0.025 0.000 1.093 101 I CA 0.714 61.938 61.300 -0.126 0.000 1.380 101 I CB 0.143 37.895 38.000 -0.414 0.000 1.067 101 I HN 0.009 nan 8.210 nan 0.000 0.413 102 E N 0.733 120.951 120.200 0.030 0.000 2.070 102 E HA -0.289 4.081 4.350 0.033 0.000 0.197 102 E C 2.190 178.865 176.600 0.125 0.000 1.004 102 E CA 1.300 57.753 56.400 0.088 0.000 0.805 102 E CB -0.403 29.327 29.700 0.050 0.000 0.744 102 E HN 0.414 nan 8.360 nan 0.000 0.451 103 R N 0.506 121.053 120.500 0.077 0.000 2.083 103 R HA -0.123 4.237 4.340 0.033 0.000 0.237 103 R C 2.578 178.922 176.300 0.073 0.000 1.137 103 R CA 1.259 57.402 56.100 0.072 0.000 0.951 103 R CB -0.302 30.028 30.300 0.049 0.000 0.851 103 R HN 0.114 nan 8.270 nan 0.000 0.434 104 I N -0.741 119.874 120.570 0.076 0.000 2.163 104 I HA -0.311 3.878 4.170 0.033 0.000 0.243 104 I C 2.198 178.349 176.117 0.057 0.000 1.085 104 I CA 1.570 62.908 61.300 0.064 0.000 1.347 104 I CB -0.405 37.638 38.000 0.072 0.000 1.044 104 I HN 0.381 nan 8.210 nan 0.000 0.408 105 W N 2.087 123.382 121.300 -0.010 0.000 2.333 105 W HA -0.279 4.407 4.660 0.043 0.000 0.316 105 W C 2.464 178.989 176.519 0.011 0.000 1.215 105 W CA 2.168 59.520 57.345 0.012 0.000 1.278 105 W CB -0.281 29.200 29.460 0.035 0.000 1.154 105 W HN 0.209 nan 8.180 nan 0.000 0.486 106 D N 0.037 120.641 120.400 0.340 0.000 2.123 106 D HA -0.183 4.476 4.640 0.033 0.000 0.196 106 D C 0.774 177.042 176.300 -0.053 0.000 0.992 106 D CA 1.177 55.320 54.000 0.239 0.000 0.833 106 D CB -0.253 40.688 40.800 0.236 0.000 0.954 106 D HN 0.293 nan 8.370 nan 0.000 0.455 110 N N 0.611 119.157 118.700 -0.256 0.000 2.188 110 N HA -0.086 4.674 4.740 0.033 0.000 0.184 110 N C 1.439 176.838 175.510 -0.185 0.000 1.018 110 N CA 1.842 54.775 53.050 -0.195 0.000 0.858 110 N CB -0.142 38.312 38.487 -0.054 0.000 0.989 110 N HN 0.351 nan 8.380 nan 0.000 0.426 111 S N -0.383 115.184 115.700 -0.223 0.000 2.481 111 S HA -0.054 4.436 4.470 0.033 0.000 0.231 111 S C 1.761 176.432 174.600 0.119 0.000 0.996 111 S CA 1.270 59.470 58.200 -0.000 0.000 0.942 111 S CB -0.091 63.110 63.200 0.001 0.000 0.768 111 S HN 0.600 nan 8.310 nan 0.000 0.520 112 T N -1.148 113.265 114.554 -0.235 0.000 3.054 112 T HA 0.288 4.658 4.350 0.033 0.000 0.255 112 T C 1.374 175.719 174.700 -0.592 0.000 1.035 112 T CA -0.267 61.569 62.100 -0.439 0.000 0.941 112 T CB -0.146 68.313 68.868 -0.681 0.000 1.026 112 T HN 0.053 nan 8.240 nan 0.000 0.533 113 L N 2.421 123.395 121.223 -0.415 0.000 2.081 113 L HA -0.052 4.308 4.340 0.033 0.000 0.212 113 L C 2.212 178.969 176.870 -0.189 0.000 1.080 113 L CA 1.694 56.296 54.840 -0.395 0.000 0.754 113 L CB -1.281 40.588 42.059 -0.317 0.000 0.893 113 L HN 0.690 nan 8.230 nan 0.000 0.433 114 Y N -1.549 118.723 120.300 -0.046 0.000 2.497 114 Y HA -0.171 4.423 4.550 0.073 0.000 0.292 114 Y C 1.446 177.435 175.900 0.147 0.000 1.137 114 Y CA 1.050 59.181 58.100 0.051 0.000 1.285 114 Y CB -1.114 37.397 38.460 0.085 0.000 0.991 114 Y HN 0.399 nan 8.280 nan 0.000 0.556 115 Y N -1.418 118.532 120.300 -0.584 0.000 2.768 115 Y HA 0.797 5.316 4.550 -0.052 0.000 0.249 115 Y C 0.751 176.491 175.900 -0.266 0.000 1.146 115 Y CA -0.596 57.276 58.100 -0.380 0.000 1.171 115 Y CB 0.174 38.366 38.460 -0.447 0.000 1.249 115 Y HN 0.058 nan 8.280 nan 0.000 0.567 116 G N 0.656 109.179 108.800 -0.462 0.000 3.364 116 G HA2 0.475 4.455 3.960 0.033 0.000 0.191 116 G HA3 0.475 4.455 3.960 0.033 0.000 0.191 116 G C 0.273 175.043 174.900 -0.217 0.000 1.352 116 G CA -0.187 44.641 45.100 -0.452 0.000 0.758 116 G HN 0.175 nan 8.290 nan 0.000 0.730 117 R N -1.497 118.898 120.500 -0.174 0.000 1.238 117 R HA -0.141 4.219 4.340 0.033 0.000 0.031 117 R C 0.148 176.531 176.300 0.139 0.000 0.958 117 R CA 2.031 58.154 56.100 0.038 0.000 1.983 117 R CB -1.349 28.955 30.300 0.006 0.000 0.178 117 R HN 0.444 nan 8.270 nan 0.000 0.730 118 K N 0.453 120.886 120.400 0.054 0.000 2.409 118 K HA 0.592 4.932 4.320 0.033 0.000 0.252 118 K C 0.514 177.125 176.600 0.017 0.000 1.036 118 K CA -0.005 56.322 56.287 0.067 0.000 0.871 118 K CB 1.908 34.439 32.500 0.052 0.000 1.374 118 K HN 0.446 nan 8.250 nan 0.000 0.459 119 G N 0.555 109.368 108.800 0.021 0.000 2.525 119 G HA2 -0.314 3.666 3.960 0.033 0.000 0.248 119 G HA3 -0.314 3.666 3.960 0.033 0.000 0.248 119 G C 0.577 175.457 174.900 -0.033 0.000 1.238 119 G CA 0.243 45.328 45.100 -0.025 0.000 0.926 119 G HN 0.529 nan 8.290 nan 0.000 0.574 120 L N 0.424 121.617 121.223 -0.050 0.000 2.051 120 L HA -0.070 4.290 4.340 0.033 0.000 0.214 120 L C 3.098 179.950 176.870 -0.029 0.000 1.076 120 L CA 3.163 57.979 54.840 -0.039 0.000 0.758 120 L CB -0.661 41.384 42.059 -0.022 0.000 0.890 120 L HN 0.756 nan 8.230 nan 0.000 0.433 121 V N -0.234 119.635 119.914 -0.075 0.000 2.427 121 V HA -0.269 3.871 4.120 0.033 0.000 0.248 121 V C 2.423 178.463 176.094 -0.090 0.000 1.051 121 V CA 1.615 63.828 62.300 -0.145 0.000 1.048 121 V CB -0.582 31.018 31.823 -0.373 0.000 0.666 121 V HN 0.400 nan 8.190 nan 0.000 0.456 122 I N 0.679 121.236 120.570 -0.021 0.000 2.439 122 I HA -0.128 4.062 4.170 0.033 0.000 0.251 122 I C 2.231 178.422 176.117 0.123 0.000 1.139 122 I CA 1.225 62.571 61.300 0.077 0.000 1.438 122 I CB -1.542 36.555 38.000 0.161 0.000 1.085 122 I HN 0.367 nan 8.210 nan 0.000 0.427 123 N N 1.151 119.920 118.700 0.114 0.000 2.069 123 N HA -0.150 4.610 4.740 0.033 0.000 0.191 123 N C 1.859 177.446 175.510 0.128 0.000 1.031 123 N CA 1.976 55.129 53.050 0.172 0.000 0.852 123 N CB -0.837 37.711 38.487 0.103 0.000 1.018 123 N HN 0.322 nan 8.380 nan 0.000 0.423 124 T N 1.610 116.205 114.554 0.068 0.000 2.674 124 T HA -0.025 4.345 4.350 0.033 0.000 0.265 124 T C 2.084 176.807 174.700 0.039 0.000 1.039 124 T CA 0.871 63.000 62.100 0.048 0.000 1.150 124 T CB -0.396 68.486 68.868 0.023 0.000 0.864 124 T HN 0.164 nan 8.240 nan 0.000 0.427 125 I N 1.407 121.981 120.570 0.006 0.000 2.145 125 I HA -0.246 3.944 4.170 0.033 0.000 0.244 125 I C 2.710 178.888 176.117 0.102 0.000 1.075 125 I CA 1.238 62.531 61.300 -0.011 0.000 1.332 125 I CB -0.462 37.461 38.000 -0.129 0.000 1.033 125 I HN 0.209 nan 8.210 nan 0.000 0.410 126 S N 0.624 116.415 115.700 0.152 0.000 2.370 126 S HA -0.145 4.344 4.470 0.033 0.000 0.226 126 S C 2.101 176.760 174.600 0.099 0.000 1.033 126 S CA 1.400 59.703 58.200 0.172 0.000 1.011 126 S CB -0.803 62.495 63.200 0.163 0.000 0.852 126 S HN 0.669 nan 8.310 nan 0.000 0.457 127 G N 1.225 110.068 108.800 0.072 0.000 2.408 127 G HA2 -0.112 3.867 3.960 0.033 0.000 0.217 127 G HA3 -0.112 3.867 3.960 0.033 0.000 0.217 127 G C 1.437 176.370 174.900 0.054 0.000 1.150 127 G CA 0.801 45.916 45.100 0.024 0.000 0.776 127 G HN 0.422 nan 8.290 nan 0.000 0.542 128 V N 1.160 121.122 119.914 0.081 0.000 2.295 128 V HA -0.186 3.954 4.120 0.033 0.000 0.246 128 V C 2.440 178.615 176.094 0.135 0.000 1.049 128 V CA 2.342 64.698 62.300 0.094 0.000 1.024 128 V CB -0.488 31.377 31.823 0.069 0.000 0.648 128 V HN 0.438 nan 8.190 nan 0.000 0.447 129 D N -0.121 120.391 120.400 0.187 0.000 2.104 129 D HA -0.180 4.480 4.640 0.033 0.000 0.194 129 D C 2.077 178.596 176.300 0.365 0.000 0.994 129 D CA 1.444 55.622 54.000 0.297 0.000 0.830 129 D CB -0.151 40.895 40.800 0.410 0.000 0.959 129 D HN 0.359 nan 8.370 nan 0.000 0.452 130 L N 0.019 121.385 121.223 0.238 0.000 2.046 130 L HA -0.154 4.206 4.340 0.033 0.000 0.208 130 L C 2.584 179.627 176.870 0.288 0.000 1.077 130 L CA 1.219 56.186 54.840 0.211 0.000 0.747 130 L CB -0.520 41.390 42.059 -0.248 0.000 0.896 130 L HN 0.098 nan 8.230 nan 0.000 0.432 131 A N -0.185 122.730 122.820 0.159 0.000 1.933 131 A HA -0.175 4.165 4.320 0.033 0.000 0.218 131 A C 2.261 179.958 177.584 0.190 0.000 1.175 131 A CA 1.406 53.548 52.037 0.175 0.000 0.628 131 A CB -0.652 18.444 19.000 0.159 0.000 0.814 131 A HN 0.367 nan 8.150 nan 0.000 0.444 132 L N -2.695 118.625 121.223 0.163 0.000 2.056 132 L HA -0.205 4.155 4.340 0.033 0.000 0.207 132 L C 2.566 179.444 176.870 0.014 0.000 1.078 132 L CA 1.298 56.173 54.840 0.058 0.000 0.749 132 L CB -0.404 41.645 42.059 -0.017 0.000 0.901 132 L HN 0.629 nan 8.230 nan 0.000 0.433 133 W N 0.256 121.629 121.300 0.122 0.000 2.388 133 W HA -0.197 4.480 4.660 0.029 0.000 0.294 133 W C 2.359 178.847 176.519 -0.051 0.000 1.212 133 W CA 1.145 58.522 57.345 0.053 0.000 1.271 133 W CB -0.245 29.283 29.460 0.115 0.000 1.126 133 W HN 0.211 nan 8.180 nan 0.000 0.535 134 D N 0.214 120.807 120.400 0.323 0.000 2.097 134 D HA -0.213 4.447 4.640 0.033 0.000 0.195 134 D C 2.055 178.411 176.300 0.092 0.000 0.989 134 D CA 1.438 55.545 54.000 0.179 0.000 0.827 134 D CB -0.399 40.590 40.800 0.315 0.000 0.966 134 D HN -0.017 nan 8.370 nan 0.000 0.456 135 L N 0.110 121.400 121.223 0.112 0.000 2.012 135 L HA -0.083 4.277 4.340 0.033 0.000 0.210 135 L C 2.174 179.057 176.870 0.021 0.000 1.073 135 L CA 1.521 56.406 54.840 0.074 0.000 0.748 135 L CB -1.053 41.050 42.059 0.074 0.000 0.891 135 L HN 0.223 nan 8.230 nan 0.000 0.431 136 L N -0.053 121.159 121.223 -0.018 0.000 2.046 136 L HA -0.026 4.334 4.340 0.033 0.000 0.208 136 L C 2.344 179.197 176.870 -0.028 0.000 1.077 136 L CA 2.102 56.908 54.840 -0.057 0.000 0.747 136 L CB -1.463 40.498 42.059 -0.162 0.000 0.896 136 L HN 0.339 nan 8.230 nan 0.000 0.432 137 G N -1.003 107.782 108.800 -0.025 0.000 2.418 137 G HA2 -0.292 3.688 3.960 0.033 0.000 0.217 137 G HA3 -0.292 3.688 3.960 0.033 0.000 0.217 137 G C 1.732 176.609 174.900 -0.039 0.000 1.158 137 G CA 0.876 45.940 45.100 -0.060 0.000 0.771 137 G HN 0.383 nan 8.290 nan 0.000 0.545 138 K N -0.272 120.121 120.400 -0.011 0.000 2.097 138 K HA 0.016 4.356 4.320 0.033 0.000 0.206 138 K C 2.578 179.187 176.600 0.015 0.000 1.049 138 K CA 0.860 57.157 56.287 0.017 0.000 0.933 138 K CB -0.212 32.320 32.500 0.053 0.000 0.717 138 K HN 0.197 nan 8.250 nan 0.000 0.442 139 V N 1.108 121.028 119.914 0.009 0.000 2.358 139 V HA -0.207 3.933 4.120 0.033 0.000 0.246 139 V C 1.969 178.062 176.094 -0.002 0.000 1.047 139 V CA 1.637 63.940 62.300 0.005 0.000 1.035 139 V CB -0.322 31.499 31.823 -0.002 0.000 0.658 139 V HN 0.262 nan 8.190 nan 0.000 0.452 140 R N -0.500 119.994 120.500 -0.010 0.000 2.299 140 R HA 0.132 4.492 4.340 0.033 0.000 0.197 140 R C 0.572 176.866 176.300 -0.010 0.000 0.971 140 R CA -0.033 56.060 56.100 -0.011 0.000 1.030 140 R CB -0.017 30.274 30.300 -0.015 0.000 0.932 140 R HN 0.428 nan 8.270 nan 0.000 0.477 141 R N 1.010 121.505 120.500 -0.008 0.000 3.422 141 R HA -0.176 4.184 4.340 0.033 0.000 0.267 141 R C -0.954 175.335 176.300 -0.019 0.000 1.074 141 R CA 0.823 56.919 56.100 -0.006 0.000 0.718 141 R CB -1.608 28.694 30.300 0.003 0.000 1.157 141 R HN 0.363 nan 8.270 nan 0.000 0.440 142 E N -0.082 120.093 120.200 -0.041 0.000 2.314 142 E HA 0.347 4.717 4.350 0.033 0.000 0.272 142 E C -2.496 174.027 176.600 -0.128 0.000 0.884 142 E CA -2.452 53.905 56.400 -0.073 0.000 0.753 142 E CB 2.525 32.184 29.700 -0.067 0.000 1.213 142 E HN -0.131 nan 8.360 nan 0.000 0.432 143 P HA -0.031 nan 4.420 nan 0.000 0.269 143 P C 0.864 177.941 177.300 -0.373 0.000 1.215 143 P CA -0.064 62.877 63.100 -0.264 0.000 0.780 143 P CB 0.913 32.438 31.700 -0.292 0.000 0.898 144 V N 2.067 121.694 119.914 -0.479 0.000 2.392 144 V HA -0.282 3.858 4.120 0.033 0.000 0.249 144 V C 2.466 178.457 176.094 -0.173 0.000 1.059 144 V CA 2.682 64.719 62.300 -0.438 0.000 1.051 144 V CB -1.936 29.291 31.823 -0.994 0.000 0.658 144 V HN 0.753 nan 8.190 nan 0.000 0.455 145 H N -0.094 119.050 119.070 0.124 0.000 2.422 145 H HA -0.188 4.388 4.556 0.033 0.000 0.298 145 H C 2.018 177.335 175.328 -0.018 0.000 1.098 145 H CA 1.817 57.889 56.048 0.040 0.000 1.315 145 H CB -0.660 29.131 29.762 0.048 0.000 1.382 145 H HN 0.447 nan 8.280 nan 0.000 0.523 146 Q N 0.119 119.811 119.800 -0.179 0.000 2.364 146 Q HA 0.052 4.412 4.340 0.033 0.000 0.207 146 Q C 1.682 177.667 176.000 -0.025 0.000 0.970 146 Q CA 0.917 56.687 55.803 -0.056 0.000 0.888 146 Q CB 0.169 28.841 28.738 -0.109 0.000 0.951 146 Q HN 0.574 nan 8.270 nan 0.000 0.469 147 L N -0.315 120.893 121.223 -0.026 0.000 2.529 147 L HA 0.066 4.426 4.340 0.033 0.000 0.223 147 L C 1.119 178.016 176.870 0.046 0.000 1.113 147 L CA 0.236 55.116 54.840 0.066 0.000 0.861 147 L CB 0.217 42.396 42.059 0.199 0.000 1.012 147 L HN 0.198 nan 8.230 nan 0.000 0.461 148 L N 0.096 121.283 121.223 -0.059 0.000 2.848 148 L HA 0.327 4.687 4.340 0.033 0.000 0.240 148 L C 1.139 177.941 176.870 -0.114 0.000 1.232 148 L CA 0.210 54.964 54.840 -0.143 0.000 1.031 148 L CB 0.018 41.920 42.059 -0.261 0.000 1.338 148 L HN 0.390 nan 8.230 nan 0.000 0.509 149 G N -0.378 108.391 108.800 -0.052 0.000 2.176 149 G HA2 -0.138 3.842 3.960 0.033 0.000 0.253 149 G HA3 -0.138 3.842 3.960 0.033 0.000 0.253 149 G C 0.618 175.496 174.900 -0.036 0.000 0.979 149 G CA -0.005 45.066 45.100 -0.048 0.000 0.641 149 G HN 0.871 nan 8.290 nan 0.000 0.530 150 G N -0.902 107.895 108.800 -0.006 0.000 2.716 150 G HA2 0.442 4.422 3.960 0.033 0.000 0.686 150 G HA3 0.442 4.422 3.960 0.033 0.000 0.686 150 G C 0.387 175.276 174.900 -0.017 0.000 1.337 150 G CA 0.783 45.905 45.100 0.036 0.000 0.829 150 G HN 2.197 nan 8.290 nan 0.000 0.599 151 A N 0.071 122.872 122.820 -0.031 0.000 2.483 151 A HA 0.657 4.997 4.320 0.033 0.000 0.238 151 A C 1.722 179.244 177.584 -0.104 0.000 1.070 151 A CA 0.850 52.808 52.037 -0.131 0.000 0.770 151 A CB 0.721 19.569 19.000 -0.254 0.000 1.008 151 A HN 2.354 nan 8.150 nan 0.000 0.497 152 V N -0.880 118.966 119.914 -0.114 0.000 3.528 152 V HA 0.357 4.497 4.120 0.033 0.000 0.294 152 V C 0.401 176.443 176.094 -0.086 0.000 1.404 152 V CA 0.362 62.607 62.300 -0.091 0.000 1.065 152 V CB -1.398 30.369 31.823 -0.092 0.000 0.904 152 V HN 0.938 nan 8.190 nan 0.000 0.435 153 R N 0.044 120.482 120.500 -0.104 0.000 2.740 153 R HA 0.556 4.916 4.340 0.033 0.000 0.273 153 R C -0.854 175.376 176.300 -0.116 0.000 0.998 153 R CA 0.016 56.058 56.100 -0.097 0.000 0.900 153 R CB 1.222 31.465 30.300 -0.095 0.000 1.223 153 R HN 0.172 nan 8.270 nan 0.000 0.466 154 D N -0.576 119.765 120.400 -0.099 0.000 2.328 154 D HA 0.068 4.728 4.640 0.033 0.000 0.221 154 D C -0.334 175.899 176.300 -0.111 0.000 1.072 154 D CA 0.029 53.966 54.000 -0.105 0.000 0.850 154 D CB 0.560 41.313 40.800 -0.079 0.000 0.922 154 D HN 0.607 nan 8.370 nan 0.000 0.516 155 E N 0.184 120.314 120.200 -0.116 0.000 2.335 155 E HA 0.324 4.693 4.350 0.033 0.000 0.280 155 E C -1.393 175.116 176.600 -0.150 0.000 0.918 155 E CA -0.757 55.571 56.400 -0.119 0.000 0.765 155 E CB 1.484 31.126 29.700 -0.097 0.000 1.218 155 E HN 0.017 nan 8.360 nan 0.000 0.425 156 L N 3.952 125.064 121.223 -0.186 0.000 2.312 156 L HA 0.357 4.717 4.340 0.033 0.000 0.281 156 L C -0.013 176.614 176.870 -0.405 0.000 1.070 156 L CA -0.583 54.051 54.840 -0.344 0.000 0.805 156 L CB 1.246 43.022 42.059 -0.471 0.000 1.174 156 L HN 0.527 nan 8.230 nan 0.000 0.434 157 Q N 2.307 121.852 119.800 -0.426 0.000 2.312 157 Q HA 0.624 4.984 4.340 0.033 0.000 0.263 157 Q C -1.552 174.221 176.000 -0.378 0.000 0.995 157 Q CA -0.614 55.021 55.803 -0.280 0.000 0.853 157 Q CB 1.872 30.544 28.738 -0.109 0.000 1.300 157 Q HN 0.341 nan 8.270 nan 0.000 0.448 158 F N 1.906 121.907 119.950 0.085 0.000 2.495 158 F HA 0.379 4.925 4.527 0.032 0.000 0.327 158 F C -0.335 175.684 175.800 0.365 0.000 1.103 158 F CA -1.184 56.956 58.000 0.233 0.000 0.949 158 F CB 1.181 40.353 39.000 0.287 0.000 1.142 158 F HN 0.599 nan 8.300 nan 0.000 0.457 159 Y N 1.249 121.816 120.300 0.445 0.000 2.316 159 Y HA 0.809 5.378 4.550 0.032 0.000 0.324 159 Y C -0.587 175.453 175.900 0.234 0.000 1.267 159 Y CA -1.574 56.701 58.100 0.292 0.000 1.311 159 Y CB 0.602 39.144 38.460 0.137 0.000 1.267 159 Y HN 0.662 nan 8.280 nan 0.000 0.516 160 A N 2.094 124.947 122.820 0.055 0.000 2.318 160 A HA 0.581 4.921 4.320 0.033 0.000 0.324 160 A C -0.636 176.927 177.584 -0.035 0.000 1.170 160 A CA -0.779 51.082 52.037 -0.295 0.000 0.810 160 A CB 0.425 18.843 19.000 -0.971 0.000 1.198 160 A HN 0.812 nan 8.150 nan 0.000 0.484 161 T N 1.673 116.203 114.554 -0.039 0.000 2.767 161 T HA 0.691 5.061 4.350 0.033 0.000 0.288 161 T C 0.432 174.991 174.700 -0.234 0.000 0.963 161 T CA 0.576 62.690 62.100 0.023 0.000 1.019 161 T CB 1.087 70.058 68.868 0.172 0.000 0.923 161 T HN 1.609 nan 8.240 nan 0.000 0.468 162 G N 0.840 109.330 108.800 -0.517 0.000 2.320 162 G HA2 0.471 4.451 3.960 0.033 0.000 0.297 162 G HA3 0.471 4.451 3.960 0.033 0.000 0.297 162 G C 0.316 174.687 174.900 -0.882 0.000 1.344 162 G CA -0.187 44.055 45.100 -1.430 0.000 0.851 162 G HN 0.629 nan 8.290 nan 0.000 0.567 163 A N -0.733 121.520 122.820 -0.944 0.000 2.209 163 A HA 0.302 4.642 4.320 0.033 0.000 0.212 163 A C 1.177 178.672 177.584 -0.149 0.000 1.158 163 A CA 1.009 52.896 52.037 -0.249 0.000 0.742 163 A CB -0.104 18.917 19.000 0.036 0.000 0.790 163 A HN 0.302 nan 8.150 nan 0.000 0.472 164 R N -0.299 120.065 120.500 -0.226 0.000 2.651 164 R HA 0.222 4.582 4.340 0.033 0.000 0.282 164 R C -2.410 173.837 176.300 -0.088 0.000 1.565 164 R CA -2.000 54.029 56.100 -0.119 0.000 1.661 164 R CB 0.325 30.563 30.300 -0.103 0.000 1.189 164 R HN 0.236 nan 8.270 nan 0.000 0.621 165 P HA -0.185 nan 4.420 nan 0.000 0.219 165 P C 0.732 178.030 177.300 -0.004 0.000 1.146 165 P CA 1.214 64.361 63.100 0.078 0.000 0.808 165 P CB 0.330 32.122 31.700 0.153 0.000 0.779 166 D N 0.595 120.948 120.400 -0.078 0.000 2.123 166 D HA -0.173 4.487 4.640 0.033 0.000 0.196 166 D C 2.028 178.239 176.300 -0.149 0.000 0.992 166 D CA 1.179 55.086 54.000 -0.155 0.000 0.833 166 D CB -1.209 39.530 40.800 -0.102 0.000 0.954 166 D HN 0.230 nan 8.370 nan 0.000 0.455 167 L N 0.273 121.448 121.223 -0.080 0.000 2.131 167 L HA 0.083 4.443 4.340 0.033 0.000 0.206 167 L C 2.875 179.752 176.870 0.011 0.000 1.087 167 L CA 0.827 55.642 54.840 -0.042 0.000 0.767 167 L CB -0.586 41.458 42.059 -0.026 0.000 0.917 167 L HN 0.048 nan 8.230 nan 0.000 0.441 168 A N -0.080 122.760 122.820 0.034 0.000 1.940 168 A HA -0.299 4.040 4.320 0.033 0.000 0.219 168 A C 2.302 180.053 177.584 0.279 0.000 1.176 168 A CA 1.987 54.137 52.037 0.187 0.000 0.631 168 A CB -0.574 18.485 19.000 0.098 0.000 0.814 168 A HN 0.503 nan 8.150 nan 0.000 0.446 169 Q N 0.031 119.785 119.800 -0.076 0.000 2.084 169 Q HA -0.132 4.228 4.340 0.033 0.000 0.202 169 Q C 0.599 176.515 176.000 -0.141 0.000 0.978 169 Q CA 1.071 56.658 55.803 -0.359 0.000 0.844 169 Q CB -0.080 28.036 28.738 -1.037 0.000 0.898 169 Q HN 0.655 nan 8.270 nan 0.000 0.426 173 F N 1.508 121.507 119.950 0.082 0.000 2.490 173 F HA 0.340 4.887 4.527 0.034 0.000 0.336 173 F C 2.132 178.009 175.800 0.128 0.000 1.178 173 F CA 0.119 58.193 58.000 0.124 0.000 1.301 173 F CB 0.816 39.928 39.000 0.188 0.000 1.175 173 F HN 0.115 nan 8.300 nan 0.000 0.593 174 I N -0.947 119.688 120.570 0.108 0.000 3.059 174 I HA 0.377 4.567 4.170 0.033 0.000 0.270 174 I C 0.753 176.383 176.117 -0.812 0.000 1.238 174 I CA 0.620 61.705 61.300 -0.359 0.000 1.478 174 I CB -0.441 37.177 38.000 -0.636 0.000 1.097 174 I HN 0.473 nan 8.210 nan 0.000 0.455 175 G N -0.005 108.455 108.800 -0.566 0.000 2.645 175 G HA2 0.595 4.574 3.960 0.033 0.000 0.292 175 G HA3 0.595 4.574 3.960 0.033 0.000 0.292 175 G C -1.402 173.270 174.900 -0.380 0.000 1.415 175 G CA -0.334 44.245 45.100 -0.869 0.000 0.785 175 G HN 0.242 nan 8.290 nan 0.000 0.483 176 G N -0.068 108.538 108.800 -0.325 0.000 2.753 176 G HA2 0.542 4.521 3.960 0.033 0.000 0.282 176 G HA3 0.542 4.521 3.960 0.033 0.000 0.282 176 G C -0.581 174.246 174.900 -0.121 0.000 1.512 176 G CA -0.388 44.704 45.100 -0.013 0.000 1.076 176 G HN 0.585 nan 8.290 nan 0.000 0.545 180 L N 2.160 123.337 121.223 -0.077 0.000 2.380 180 L HA 0.252 4.612 4.340 0.033 0.000 0.273 180 L C 1.190 177.883 176.870 -0.295 0.000 1.138 180 L CA 0.539 55.207 54.840 -0.286 0.000 0.832 180 L CB 0.374 42.265 42.059 -0.279 0.000 1.124 180 L HN 0.484 nan 8.230 nan 0.000 0.454 181 H N 2.078 121.109 119.070 -0.064 0.000 2.750 181 H HA 0.301 4.877 4.556 0.033 0.000 0.263 181 H C -0.620 174.474 175.328 -0.390 0.000 0.964 181 H CA -0.079 55.853 56.048 -0.195 0.000 1.205 181 H CB 0.367 29.953 29.762 -0.293 0.000 1.454 181 H HN 0.468 nan 8.280 nan 0.000 0.503 182 H N -0.129 119.058 119.070 0.195 0.000 2.689 182 H HA 0.391 4.967 4.556 0.034 0.000 0.346 182 H C 0.178 175.506 175.328 -0.000 0.000 1.037 182 H CA -0.527 55.610 56.048 0.148 0.000 1.234 182 H CB 1.799 31.660 29.762 0.166 0.000 1.572 182 H HN 0.338 nan 8.280 nan 0.000 0.524 183 G N 1.804 110.599 108.800 -0.008 0.000 2.557 183 G HA2 0.250 4.230 3.960 0.033 0.000 0.302 183 G HA3 0.250 4.230 3.960 0.033 0.000 0.302 183 G C -1.640 172.948 174.900 -0.519 0.000 1.311 183 G CA -1.637 43.289 45.100 -0.291 0.000 1.030 183 G HN 0.234 nan 8.290 nan 0.000 0.509 184 P HA -0.140 nan 4.420 nan 0.000 0.217 184 P C 2.159 179.337 177.300 -0.203 0.000 1.148 184 P CA 2.071 64.799 63.100 -0.621 0.000 0.828 184 P CB 0.127 31.586 31.700 -0.401 0.000 0.783 185 S N -0.804 114.800 115.700 -0.159 0.000 2.515 185 S HA -0.096 4.394 4.470 0.033 0.000 0.231 185 S C 1.465 176.053 174.600 -0.019 0.000 0.987 185 S CA 0.733 58.886 58.200 -0.079 0.000 0.936 185 S CB -0.979 62.162 63.200 -0.097 0.000 0.766 185 S HN 0.269 nan 8.310 nan 0.000 0.528 186 E N 1.324 121.526 120.200 0.004 0.000 2.476 186 E HA 0.353 4.723 4.350 0.033 0.000 0.191 186 E C 1.358 177.999 176.600 0.070 0.000 1.064 186 E CA 0.014 56.450 56.400 0.060 0.000 0.866 186 E CB -0.151 29.626 29.700 0.128 0.000 0.952 186 E HN 0.639 nan 8.360 nan 0.000 0.492 187 G N 2.174 111.024 108.800 0.083 0.000 2.575 187 G HA2 -0.359 3.621 3.960 0.033 0.000 0.267 187 G HA3 -0.359 3.621 3.960 0.033 0.000 0.267 187 G C 0.631 175.619 174.900 0.147 0.000 1.264 187 G CA 0.121 45.287 45.100 0.111 0.000 0.935 187 G HN 0.237 nan 8.290 nan 0.000 0.568 188 E N 0.065 120.319 120.200 0.090 0.000 2.204 188 E HA -0.059 4.311 4.350 0.033 0.000 0.194 188 E C 2.314 178.942 176.600 0.046 0.000 0.989 188 E CA 1.517 57.956 56.400 0.066 0.000 0.824 188 E CB -0.169 29.553 29.700 0.038 0.000 0.756 188 E HN 0.522 nan 8.360 nan 0.000 0.477 189 E N 0.417 120.635 120.200 0.029 0.000 2.072 189 E HA -0.058 4.312 4.350 0.033 0.000 0.190 189 E C 2.062 178.628 176.600 -0.056 0.000 0.982 189 E CA 1.238 57.631 56.400 -0.011 0.000 0.803 189 E CB -0.669 29.018 29.700 -0.021 0.000 0.755 189 E HN 0.276 nan 8.360 nan 0.000 0.453 190 G N 0.551 109.333 108.800 -0.029 0.000 2.422 190 G HA2 -0.219 3.761 3.960 0.033 0.000 0.218 190 G HA3 -0.219 3.761 3.960 0.033 0.000 0.218 190 G C 1.488 176.439 174.900 0.085 0.000 1.140 190 G CA 0.836 45.892 45.100 -0.075 0.000 0.775 190 G HN 0.304 nan 8.290 nan 0.000 0.545 191 L N 0.692 122.014 121.223 0.165 0.000 1.994 191 L HA 0.063 4.423 4.340 0.033 0.000 0.208 191 L C 2.732 179.643 176.870 0.069 0.000 1.071 191 L CA 2.032 56.947 54.840 0.126 0.000 0.745 191 L CB -0.726 41.342 42.059 0.016 0.000 0.892 191 L HN 0.137 nan 8.230 nan 0.000 0.431 192 K N -0.497 119.927 120.400 0.039 0.000 2.074 192 K HA -0.237 4.103 4.320 0.033 0.000 0.209 192 K C 2.101 178.723 176.600 0.038 0.000 1.048 192 K CA 2.053 58.362 56.287 0.037 0.000 0.926 192 K CB -0.191 32.319 32.500 0.018 0.000 0.713 192 K HN 0.311 nan 8.250 nan 0.000 0.444 193 K N 0.450 120.844 120.400 -0.010 0.000 2.026 193 K HA -0.116 4.224 4.320 0.033 0.000 0.208 193 K C 1.901 178.590 176.600 0.148 0.000 1.048 193 K CA 1.431 57.715 56.287 -0.005 0.000 0.929 193 K CB -0.144 32.203 32.500 -0.254 0.000 0.713 193 K HN 0.135 nan 8.250 nan 0.000 0.439 194 N N 1.175 119.999 118.700 0.207 0.000 2.061 194 N HA -0.177 4.583 4.740 0.033 0.000 0.193 194 N C 1.858 177.538 175.510 0.283 0.000 1.030 194 N CA 1.281 54.477 53.050 0.244 0.000 0.856 194 N CB -0.362 38.197 38.487 0.119 0.000 1.023 194 N HN 0.150 nan 8.380 nan 0.000 0.424 195 L N 1.116 122.458 121.223 0.198 0.000 2.093 195 L HA -0.102 4.258 4.340 0.033 0.000 0.208 195 L C 2.168 179.043 176.870 0.010 0.000 1.085 195 L CA 0.964 55.905 54.840 0.169 0.000 0.755 195 L CB -0.382 41.797 42.059 0.200 0.000 0.904 195 L HN 0.182 nan 8.230 nan 0.000 0.435 196 E N 0.225 120.445 120.200 0.033 0.000 2.058 196 E HA -0.252 4.118 4.350 0.033 0.000 0.194 196 E C 2.105 178.688 176.600 -0.027 0.000 0.997 196 E CA 1.378 57.767 56.400 -0.018 0.000 0.801 196 E CB -0.001 29.711 29.700 0.020 0.000 0.746 196 E HN 0.466 nan 8.360 nan 0.000 0.450 197 E N 0.265 120.511 120.200 0.077 0.000 2.058 197 E HA -0.219 4.151 4.350 0.033 0.000 0.194 197 E C 2.144 178.758 176.600 0.024 0.000 0.997 197 E CA 0.913 57.379 56.400 0.110 0.000 0.801 197 E CB -0.082 29.781 29.700 0.273 0.000 0.746 197 E HN 0.116 nan 8.360 nan 0.000 0.450 198 L N 0.874 122.103 121.223 0.010 0.000 2.056 198 L HA -0.094 4.266 4.340 0.033 0.000 0.207 198 L C 2.195 178.850 176.870 -0.358 0.000 1.078 198 L CA 2.049 56.786 54.840 -0.171 0.000 0.749 198 L CB -0.683 41.307 42.059 -0.116 0.000 0.901 198 L HN 0.030 nan 8.230 nan 0.000 0.433 199 A N -1.002 121.428 122.820 -0.650 0.000 1.892 199 A HA -0.150 4.190 4.320 0.033 0.000 0.218 199 A C 1.589 179.004 177.584 -0.282 0.000 1.188 199 A CA 1.946 53.508 52.037 -0.791 0.000 0.631 199 A CB -1.448 17.118 19.000 -0.722 0.000 0.822 199 A HN 0.538 nan 8.150 nan 0.000 0.447 203 E N 0.621 120.821 120.200 0.000 0.000 2.110 203 E HA -0.146 4.224 4.350 0.033 0.000 0.193 203 E C 1.356 177.949 176.600 -0.012 0.000 0.988 203 E CA 1.357 57.760 56.400 0.006 0.000 0.804 203 E CB 0.106 29.805 29.700 -0.002 0.000 0.745 203 E HN 0.228 nan 8.360 nan 0.000 0.458 204 R N -0.341 120.141 120.500 -0.030 0.000 2.148 204 R HA -0.089 4.271 4.340 0.033 0.000 0.223 204 R C 2.325 178.575 176.300 -0.082 0.000 1.088 204 R CA 1.244 57.312 56.100 -0.053 0.000 0.985 204 R CB 0.129 30.392 30.300 -0.062 0.000 0.880 204 R HN 0.227 nan 8.270 nan 0.000 0.451 205 V N -3.679 116.191 119.914 -0.073 0.000 3.644 205 V HA 0.441 4.581 4.120 0.033 0.000 0.267 205 V C 0.832 176.902 176.094 -0.039 0.000 1.277 205 V CA 0.291 62.515 62.300 -0.126 0.000 1.096 205 V CB -0.208 31.521 31.823 -0.155 0.000 0.828 205 V HN 0.349 nan 8.190 nan 0.000 0.446 206 G N 1.437 110.241 108.800 0.007 0.000 2.795 206 G HA2 -0.138 3.841 3.960 0.033 0.000 0.664 206 G HA3 -0.138 3.841 3.960 0.033 0.000 0.664 206 G C -1.304 173.642 174.900 0.077 0.000 1.381 206 G CA -0.091 45.030 45.100 0.034 0.000 0.853 206 G HN 0.349 nan 8.290 nan 0.000 0.545 207 P HA 0.078 nan 4.420 nan 0.000 0.226 207 P C 0.592 177.952 177.300 0.101 0.000 1.153 207 P CA 1.612 64.760 63.100 0.079 0.000 0.777 207 P CB 0.204 31.939 31.700 0.057 0.000 0.794 208 D N -1.386 119.087 120.400 0.121 0.000 2.379 208 D HA 0.047 4.707 4.640 0.033 0.000 0.218 208 D C 0.497 176.913 176.300 0.193 0.000 1.006 208 D CA -0.160 53.923 54.000 0.138 0.000 0.893 208 D CB -0.502 40.358 40.800 0.099 0.000 1.019 208 D HN 0.104 nan 8.370 nan 0.000 0.503 209 F N 2.070 122.034 119.950 0.023 0.000 2.578 209 F HA 0.068 4.615 4.527 0.033 0.000 0.376 209 F C -0.058 175.796 175.800 0.091 0.000 1.085 209 F CA -0.890 57.100 58.000 -0.017 0.000 1.260 209 F CB 0.413 39.390 39.000 -0.038 0.000 1.095 209 F HN -0.159 nan 8.300 nan 0.000 0.573 210 W N 8.244 129.112 121.300 -0.720 0.000 2.251 210 W HA 0.377 5.056 4.660 0.032 0.000 0.327 210 W C -0.532 175.603 176.519 -0.641 0.000 1.361 210 W CA -0.818 56.154 57.345 -0.623 0.000 1.234 210 W CB -0.278 28.769 29.460 -0.688 0.000 1.212 210 W HN 0.395 nan 8.180 nan 0.000 0.557 214 D N 2.626 123.302 120.400 0.460 0.000 2.280 214 D HA 0.354 5.014 4.640 0.033 0.000 0.236 214 D C 0.020 176.526 176.300 0.343 0.000 1.082 214 D CA -0.248 54.003 54.000 0.419 0.000 0.834 214 D CB 1.662 42.724 40.800 0.437 0.000 1.100 214 D HN 0.625 nan 8.370 nan 0.000 0.486 215 C N 3.629 123.120 119.300 0.317 0.000 2.906 215 C HA 0.185 4.665 4.460 0.033 0.000 0.274 215 C C 0.699 175.877 174.990 0.314 0.000 1.257 215 C CA -0.843 58.313 59.018 0.232 0.000 1.695 215 C CB -1.966 25.877 27.740 0.172 0.000 1.958 215 C HN 0.849 nan 8.230 nan 0.000 0.619 219 L N 2.201 123.391 121.223 -0.055 0.000 2.347 219 L HA 0.811 5.171 4.340 0.033 0.000 0.268 219 L C -0.155 176.677 176.870 -0.063 0.000 1.019 219 L CA -0.967 53.834 54.840 -0.065 0.000 0.806 219 L CB 0.730 42.826 42.059 0.061 0.000 1.339 219 L HN 0.366 nan 8.230 nan 0.000 0.463 220 D N -1.162 119.226 120.400 -0.021 0.000 2.449 220 D HA 0.329 4.989 4.640 0.033 0.000 0.250 220 D C 0.571 176.882 176.300 0.019 0.000 1.050 220 D CA -0.814 53.174 54.000 -0.020 0.000 1.024 220 D CB 1.289 42.078 40.800 -0.017 0.000 1.218 220 D HN 0.279 nan 8.370 nan 0.000 0.566 221 L N 0.547 121.766 121.223 -0.006 0.000 2.017 221 L HA -0.126 4.234 4.340 0.033 0.000 0.208 221 L C 1.627 178.517 176.870 0.034 0.000 1.073 221 L CA 1.902 56.741 54.840 -0.001 0.000 0.745 221 L CB -1.014 41.041 42.059 -0.006 0.000 0.894 221 L HN 0.689 nan 8.230 nan 0.000 0.432 222 N N -1.519 117.209 118.700 0.047 0.000 2.142 222 N HA -0.289 4.471 4.740 0.033 0.000 0.186 222 N C 2.149 177.701 175.510 0.070 0.000 1.023 222 N CA 1.627 54.706 53.050 0.049 0.000 0.852 222 N CB -0.316 38.197 38.487 0.045 0.000 0.998 222 N HN 0.531 nan 8.380 nan 0.000 0.424 223 Y N 1.499 121.796 120.300 -0.005 0.000 2.128 223 Y HA -0.184 4.386 4.550 0.034 0.000 0.284 223 Y C 2.523 178.429 175.900 0.010 0.000 1.154 223 Y CA 2.145 60.247 58.100 0.002 0.000 1.149 223 Y CB -0.486 37.972 38.460 -0.004 0.000 0.976 223 Y HN 0.182 nan 8.280 nan 0.000 0.505 224 A N -0.842 122.094 122.820 0.193 0.000 1.908 224 A HA -0.209 4.131 4.320 0.033 0.000 0.218 224 A C 2.199 179.810 177.584 0.046 0.000 1.181 224 A CA 2.302 54.410 52.037 0.119 0.000 0.627 224 A CB -1.330 17.724 19.000 0.091 0.000 0.818 224 A HN 0.514 nan 8.150 nan 0.000 0.445 225 T N -0.182 114.389 114.554 0.028 0.000 2.684 225 T HA -0.163 4.207 4.350 0.033 0.000 0.267 225 T C 2.053 176.743 174.700 -0.016 0.000 1.036 225 T CA 1.657 63.765 62.100 0.015 0.000 1.148 225 T CB -0.253 68.624 68.868 0.015 0.000 0.863 225 T HN 0.542 nan 8.240 nan 0.000 0.436 226 R N 0.243 120.703 120.500 -0.067 0.000 2.092 226 R HA 0.050 4.410 4.340 0.033 0.000 0.231 226 R C 2.424 178.643 176.300 -0.136 0.000 1.119 226 R CA 0.827 56.860 56.100 -0.113 0.000 0.970 226 R CB -0.568 29.633 30.300 -0.164 0.000 0.864 226 R HN 0.232 nan 8.270 nan 0.000 0.440 227 L N 0.853 121.958 121.223 -0.197 0.000 2.046 227 L HA -0.095 4.265 4.340 0.033 0.000 0.208 227 L C 2.257 179.151 176.870 0.041 0.000 1.077 227 L CA 1.951 56.727 54.840 -0.107 0.000 0.747 227 L CB -0.553 41.448 42.059 -0.095 0.000 0.896 227 L HN 0.117 nan 8.230 nan 0.000 0.432 228 A N -0.493 122.360 122.820 0.056 0.000 1.930 228 A HA -0.220 4.120 4.320 0.033 0.000 0.217 228 A C 2.493 180.115 177.584 0.063 0.000 1.175 228 A CA 1.655 53.748 52.037 0.093 0.000 0.627 228 A CB -0.597 18.459 19.000 0.093 0.000 0.815 228 A HN 0.515 nan 8.150 nan 0.000 0.443 229 R N -0.440 120.078 120.500 0.030 0.000 2.066 229 R HA -0.060 4.300 4.340 0.033 0.000 0.232 229 R C 2.245 178.552 176.300 0.012 0.000 1.131 229 R CA 1.681 57.789 56.100 0.014 0.000 0.955 229 R CB -0.860 29.439 30.300 -0.002 0.000 0.851 229 R HN 0.393 nan 8.270 nan 0.000 0.432 230 G N -0.229 108.582 108.800 0.018 0.000 2.469 230 G HA2 -0.309 3.671 3.960 0.033 0.000 0.220 230 G HA3 -0.309 3.671 3.960 0.033 0.000 0.220 230 G C 1.446 176.407 174.900 0.101 0.000 1.136 230 G CA 0.844 45.972 45.100 0.048 0.000 0.759 230 G HN 0.509 nan 8.290 nan 0.000 0.562 231 A N 1.014 123.916 122.820 0.136 0.000 2.067 231 A HA 0.095 4.434 4.320 0.033 0.000 0.217 231 A C 2.314 179.964 177.584 0.110 0.000 1.156 231 A CA 1.347 53.509 52.037 0.208 0.000 0.683 231 A CB -0.311 18.829 19.000 0.233 0.000 0.808 231 A HN 0.495 nan 8.150 nan 0.000 0.455 232 R N 0.183 120.701 120.500 0.030 0.000 2.189 232 R HA -0.089 4.271 4.340 0.033 0.000 0.223 232 R C 1.597 177.845 176.300 -0.087 0.000 1.092 232 R CA 1.550 57.641 56.100 -0.014 0.000 0.989 232 R CB -0.451 29.842 30.300 -0.012 0.000 0.876 232 R HN 0.599 nan 8.270 nan 0.000 0.457 233 E N 0.489 120.564 120.200 -0.209 0.000 2.153 233 E HA -0.175 4.195 4.350 0.033 0.000 0.194 233 E C 0.255 176.572 176.600 -0.471 0.000 0.988 233 E CA 1.044 57.188 56.400 -0.426 0.000 0.811 233 E CB 0.053 29.320 29.700 -0.722 0.000 0.746 233 E HN 0.560 nan 8.360 nan 0.000 0.466 234 Y N -0.797 119.509 120.300 0.010 0.000 2.571 234 Y HA 0.337 4.907 4.550 0.033 0.000 0.275 234 Y C 1.052 176.943 175.900 -0.016 0.000 1.179 234 Y CA 0.149 58.249 58.100 0.001 0.000 1.242 234 Y CB 0.803 39.264 38.460 0.002 0.000 1.126 234 Y HN 0.077 nan 8.280 nan 0.000 0.524 235 G N 1.167 110.001 108.800 0.058 0.000 2.273 235 G HA2 -0.336 3.644 3.960 0.033 0.000 0.280 235 G HA3 -0.336 3.644 3.960 0.033 0.000 0.280 235 G C -0.058 174.837 174.900 -0.008 0.000 1.047 235 G CA -0.004 45.109 45.100 0.021 0.000 0.869 235 G HN 0.366 nan 8.290 nan 0.000 0.502 236 L N -0.381 120.840 121.223 -0.003 0.000 2.499 236 L HA 0.368 4.727 4.340 0.033 0.000 0.273 236 L C 1.712 178.524 176.870 -0.098 0.000 1.195 236 L CA 1.172 55.971 54.840 -0.069 0.000 0.882 236 L CB 0.557 42.608 42.059 -0.014 0.000 1.133 236 L HN 0.284 nan 8.230 nan 0.000 0.483 237 K N 4.194 124.462 120.400 -0.220 0.000 2.044 237 K HA 0.002 4.342 4.320 0.033 0.000 0.204 237 K C -0.569 176.015 176.600 -0.026 0.000 1.049 237 K CA 1.129 57.265 56.287 -0.252 0.000 0.945 237 K CB 0.158 32.319 32.500 -0.565 0.000 0.724 237 K HN 0.742 nan 8.250 nan 0.000 0.440 238 W N -0.178 121.048 121.300 -0.124 0.000 3.167 238 W HA 0.435 5.115 4.660 0.033 0.000 0.324 238 W C -1.767 174.779 176.519 0.044 0.000 1.230 238 W CA -1.421 55.898 57.345 -0.043 0.000 1.184 238 W CB 0.225 29.650 29.460 -0.058 0.000 1.414 238 W HN -0.148 nan 8.180 nan 0.000 0.551 239 I N 2.979 123.825 120.570 0.461 0.000 2.321 239 I HA 0.403 4.593 4.170 0.033 0.000 0.291 239 I C -0.572 175.833 176.117 0.480 0.000 0.998 239 I CA -0.534 61.025 61.300 0.432 0.000 1.227 239 I CB 1.166 39.351 38.000 0.308 0.000 1.368 239 I HN 0.709 nan 8.210 nan 0.000 0.466 240 E N 7.168 127.678 120.200 0.517 0.000 2.171 240 E HA 0.221 4.591 4.350 0.033 0.000 0.271 240 E C -0.539 176.270 176.600 0.347 0.000 0.916 240 E CA -0.425 56.233 56.400 0.430 0.000 0.774 240 E CB 1.018 31.067 29.700 0.581 0.000 1.128 240 E HN 0.673 nan 8.360 nan 0.000 0.403 241 E N 2.304 122.682 120.200 0.297 0.000 2.228 241 E HA -0.304 4.066 4.350 0.033 0.000 0.213 241 E C 0.323 177.092 176.600 0.282 0.000 1.282 241 E CA 0.340 56.924 56.400 0.307 0.000 0.707 241 E CB -1.064 28.778 29.700 0.237 0.000 1.150 241 E HN 0.670 nan 8.360 nan 0.000 0.362 242 A N 0.240 123.232 122.820 0.285 0.000 1.930 242 A HA 0.021 4.361 4.320 0.033 0.000 0.217 242 A C 1.103 178.669 177.584 -0.030 0.000 1.175 242 A CA 0.895 53.002 52.037 0.118 0.000 0.627 242 A CB 0.264 19.317 19.000 0.088 0.000 0.815 242 A HN 0.297 nan 8.150 nan 0.000 0.443 243 L N -1.157 119.958 121.223 -0.180 0.000 2.323 243 L HA 0.413 4.773 4.340 0.033 0.000 0.265 243 L C -2.643 174.147 176.870 -0.133 0.000 1.012 243 L CA -2.622 52.025 54.840 -0.321 0.000 0.820 243 L CB 1.544 43.131 42.059 -0.787 0.000 1.334 243 L HN -0.127 nan 8.230 nan 0.000 0.427 244 P HA 0.003 nan 4.420 nan 0.000 0.264 244 P C -2.004 175.258 177.300 -0.062 0.000 1.183 244 P CA -0.736 62.293 63.100 -0.118 0.000 0.763 244 P CB 0.011 31.638 31.700 -0.123 0.000 0.807 245 P HA -0.161 nan 4.420 nan 0.000 0.225 245 P C 0.457 177.543 177.300 -0.356 0.000 1.148 245 P CA 1.360 64.373 63.100 -0.145 0.000 0.779 245 P CB 0.190 31.808 31.700 -0.137 0.000 0.780 246 D N -0.396 119.861 120.400 -0.238 0.000 2.347 246 D HA -0.062 4.598 4.640 0.033 0.000 0.213 246 D C 0.394 176.601 176.300 -0.154 0.000 0.985 246 D CA 0.675 54.548 54.000 -0.212 0.000 0.879 246 D CB -0.172 40.631 40.800 0.005 0.000 0.919 246 D HN 0.135 nan 8.370 nan 0.000 0.526 247 D N 0.079 120.420 120.400 -0.100 0.000 2.713 247 D HA -0.019 4.640 4.640 0.033 0.000 0.229 247 D C 0.827 177.164 176.300 0.062 0.000 1.136 247 D CA -0.258 53.805 54.000 0.104 0.000 1.010 247 D CB -0.432 40.383 40.800 0.024 0.000 1.084 247 D HN 0.065 nan 8.370 nan 0.000 0.495 248 Y N 0.042 120.297 120.300 -0.075 0.000 2.165 248 Y HA -0.194 4.374 4.550 0.030 0.000 0.286 248 Y C 2.115 177.934 175.900 -0.135 0.000 1.155 248 Y CA 1.152 59.101 58.100 -0.251 0.000 1.164 248 Y CB -0.329 37.722 38.460 -0.682 0.000 0.978 248 Y HN 0.476 nan 8.280 nan 0.000 0.513 249 W N -0.634 120.789 121.300 0.204 0.000 2.381 249 W HA -0.062 4.617 4.660 0.031 0.000 0.301 249 W C 2.473 179.035 176.519 0.072 0.000 1.205 249 W CA 0.965 58.380 57.345 0.117 0.000 1.285 249 W CB -1.276 28.230 29.460 0.078 0.000 1.133 249 W HN 0.172 nan 8.180 nan 0.000 0.521 250 G N 0.078 109.060 108.800 0.304 0.000 2.440 250 G HA2 -0.309 3.670 3.960 0.033 0.000 0.218 250 G HA3 -0.309 3.670 3.960 0.033 0.000 0.218 250 G C 1.276 176.186 174.900 0.018 0.000 1.154 250 G CA 0.910 46.065 45.100 0.092 0.000 0.767 250 G HN 0.228 nan 8.290 nan 0.000 0.552 251 Y N 1.112 121.447 120.300 0.059 0.000 2.224 251 Y HA -0.048 4.521 4.550 0.031 0.000 0.289 251 Y C 3.175 179.100 175.900 0.041 0.000 1.146 251 Y CA 0.960 59.077 58.100 0.029 0.000 1.182 251 Y CB -0.014 38.437 38.460 -0.015 0.000 0.983 251 Y HN 0.286 nan 8.280 nan 0.000 0.524 252 A N -0.124 122.821 122.820 0.209 0.000 1.930 252 A HA -0.177 4.163 4.320 0.033 0.000 0.217 252 A C 2.020 179.673 177.584 0.116 0.000 1.175 252 A CA 1.600 53.721 52.037 0.139 0.000 0.627 252 A CB -0.503 18.567 19.000 0.116 0.000 0.815 252 A HN 0.474 nan 8.150 nan 0.000 0.443 253 E N -0.767 119.503 120.200 0.117 0.000 2.051 253 E HA -0.195 4.175 4.350 0.033 0.000 0.192 253 E C 1.963 178.607 176.600 0.073 0.000 0.991 253 E CA 1.279 57.732 56.400 0.088 0.000 0.799 253 E CB -0.236 29.514 29.700 0.083 0.000 0.748 253 E HN 0.489 nan 8.360 nan 0.000 0.449 254 L N 1.393 122.660 121.223 0.073 0.000 2.017 254 L HA -0.189 4.171 4.340 0.033 0.000 0.208 254 L C 2.398 179.320 176.870 0.087 0.000 1.073 254 L CA 1.781 56.662 54.840 0.069 0.000 0.745 254 L CB -0.397 41.695 42.059 0.056 0.000 0.894 254 L HN -0.069 nan 8.230 nan 0.000 0.432 255 R N -0.782 119.783 120.500 0.108 0.000 2.091 255 R HA -0.173 4.187 4.340 0.033 0.000 0.238 255 R C 2.447 178.788 176.300 0.068 0.000 1.136 255 R CA 1.659 57.814 56.100 0.092 0.000 0.959 255 R CB -0.172 30.182 30.300 0.091 0.000 0.856 255 R HN 0.360 nan 8.270 nan 0.000 0.437 256 R N -0.309 120.229 120.500 0.064 0.000 2.096 256 R HA -0.077 4.282 4.340 0.033 0.000 0.235 256 R C 1.513 177.840 176.300 0.045 0.000 1.127 256 R CA 1.827 57.958 56.100 0.051 0.000 0.968 256 R CB -0.263 30.068 30.300 0.052 0.000 0.861 256 R HN 0.480 nan 8.270 nan 0.000 0.440 257 N N 0.085 118.814 118.700 0.048 0.000 2.353 257 N HA 0.092 4.852 4.740 0.033 0.000 0.185 257 N C -0.151 175.383 175.510 0.041 0.000 1.098 257 N CA -0.423 52.650 53.050 0.039 0.000 0.872 257 N CB 0.485 38.994 38.487 0.037 0.000 0.970 257 N HN 0.113 nan 8.380 nan 0.000 0.467 258 A N 2.273 125.123 122.820 0.051 0.000 2.483 258 A HA 0.217 4.557 4.320 0.033 0.000 0.238 258 A C -2.077 175.533 177.584 0.042 0.000 1.070 258 A CA -0.842 51.228 52.037 0.055 0.000 0.770 258 A CB -0.167 18.875 19.000 0.070 0.000 1.008 258 A HN 0.012 nan 8.150 nan 0.000 0.497 259 P HA 0.112 nan 4.420 nan 0.000 0.262 259 P C -0.059 177.257 177.300 0.026 0.000 1.182 259 P CA 0.342 63.459 63.100 0.027 0.000 0.761 259 P CB 0.068 31.782 31.700 0.024 0.000 0.795 260 T N 2.979 117.544 114.554 0.019 0.000 2.800 260 T HA 0.317 4.687 4.350 0.033 0.000 0.283 260 T C 0.845 175.553 174.700 0.013 0.000 0.999 260 T CA 1.151 63.261 62.100 0.017 0.000 1.176 260 T CB -0.670 68.205 68.868 0.012 0.000 0.973 260 T HN 0.913 nan 8.240 nan 0.000 0.519 265 T N 0.763 115.291 114.554 -0.043 0.000 2.924 265 T HA 0.946 5.315 4.350 0.033 0.000 0.291 265 T C -0.542 174.082 174.700 -0.127 0.000 1.045 265 T CA -0.253 61.728 62.100 -0.198 0.000 1.015 265 T CB 2.499 71.055 68.868 -0.521 0.000 1.103 265 T HN 1.011 nan 8.240 nan 0.000 0.496 266 T N -1.246 113.187 114.554 -0.201 0.000 2.661 266 T HA 0.637 5.007 4.350 0.033 0.000 0.305 266 T C 0.343 174.973 174.700 -0.116 0.000 1.441 266 T CA 0.518 62.489 62.100 -0.216 0.000 0.999 266 T CB 0.832 69.308 68.868 -0.653 0.000 1.650 266 T HN 2.045 nan 8.240 nan 0.000 0.489 267 G N 0.787 109.534 108.800 -0.089 0.000 2.273 267 G HA2 -0.121 3.859 3.960 0.033 0.000 0.162 267 G HA3 -0.121 3.859 3.960 0.033 0.000 0.162 267 G C 0.627 175.592 174.900 0.109 0.000 1.006 267 G CA 0.907 46.028 45.100 0.034 0.000 0.704 267 G HN 0.770 nan 8.290 nan 0.000 0.487 268 E N 0.016 120.208 120.200 -0.014 0.000 2.110 268 E HA -0.111 4.259 4.350 0.033 0.000 0.193 268 E C 1.177 177.673 176.600 -0.174 0.000 0.988 268 E CA 1.063 57.376 56.400 -0.145 0.000 0.804 268 E CB -0.032 29.475 29.700 -0.321 0.000 0.745 268 E HN 0.755 nan 8.360 nan 0.000 0.458 269 H N -0.488 118.628 119.070 0.077 0.000 2.550 269 H HA 0.264 4.836 4.556 0.027 0.000 0.304 269 H C -0.809 174.492 175.328 -0.045 0.000 1.086 269 H CA -0.338 55.721 56.048 0.019 0.000 1.089 269 H CB 0.451 30.142 29.762 -0.118 0.000 1.528 269 H HN -0.037 nan 8.280 nan 0.000 0.539 270 E N 1.303 121.508 120.200 0.009 0.000 2.212 270 E HA 0.714 5.084 4.350 0.033 0.000 0.268 270 E C -1.095 175.524 176.600 0.031 0.000 0.902 270 E CA -1.077 55.213 56.400 -0.183 0.000 0.779 270 E CB 1.272 30.524 29.700 -0.747 0.000 1.172 270 E HN 0.304 nan 8.360 nan 0.000 0.409 271 A N 2.626 125.483 122.820 0.060 0.000 2.435 271 A HA 0.867 5.207 4.320 0.033 0.000 0.304 271 A C -0.494 177.255 177.584 0.276 0.000 1.064 271 A CA -0.001 52.189 52.037 0.255 0.000 0.727 271 A CB 0.874 20.015 19.000 0.235 0.000 1.284 271 A HN 1.437 nan 8.150 nan 0.000 0.415 272 T N -1.214 113.524 114.554 0.307 0.000 0.541 272 T HA -0.215 4.154 4.350 0.033 0.000 0.774 272 T C 0.935 175.674 174.700 0.066 0.000 0.992 272 T CA 1.172 63.371 62.100 0.166 0.000 4.077 272 T CB -0.719 68.321 68.868 0.287 0.000 2.303 272 T HN 2.175 nan 8.240 nan 0.000 0.398 273 R N 0.798 121.091 120.500 -0.344 0.000 2.117 273 R HA -0.137 4.223 4.340 0.033 0.000 0.243 273 R C 1.952 178.080 176.300 -0.287 0.000 1.143 273 R CA 2.046 57.877 56.100 -0.449 0.000 0.968 273 R CB -0.615 29.195 30.300 -0.818 0.000 0.863 273 R HN 0.810 nan 8.270 nan 0.000 0.444 274 W N 0.759 122.082 121.300 0.038 0.000 2.476 274 W HA 0.169 4.844 4.660 0.026 0.000 0.281 274 W C 2.384 178.880 176.519 -0.038 0.000 1.230 274 W CA 0.656 58.003 57.345 0.003 0.000 1.287 274 W CB -0.770 28.698 29.460 0.014 0.000 1.108 274 W HN 0.367 nan 8.180 nan 0.000 0.567 275 G N 0.436 109.341 108.800 0.174 0.000 2.418 275 G HA2 -0.254 3.726 3.960 0.033 0.000 0.217 275 G HA3 -0.254 3.726 3.960 0.033 0.000 0.217 275 G C 1.321 176.109 174.900 -0.187 0.000 1.158 275 G CA 0.646 45.731 45.100 -0.024 0.000 0.771 275 G HN 0.119 nan 8.290 nan 0.000 0.545 276 F N 0.854 120.789 119.950 -0.025 0.000 2.259 276 F HA 0.215 4.760 4.527 0.030 0.000 0.298 276 F C 1.873 177.593 175.800 -0.134 0.000 1.088 276 F CA 0.344 58.291 58.000 -0.087 0.000 1.358 276 F CB -0.149 38.778 39.000 -0.122 0.000 1.040 276 F HN -0.028 nan 8.300 nan 0.000 0.505 280 L N 0.910 122.024 121.223 -0.181 0.000 2.027 280 L HA -0.028 4.332 4.340 0.033 0.000 0.206 280 L C 1.223 177.947 176.870 -0.243 0.000 1.074 280 L CA 1.283 55.920 54.840 -0.339 0.000 0.745 280 L CB -0.148 41.459 42.059 -0.754 0.000 0.898 280 L HN 0.233 nan 8.230 nan 0.000 0.433 284 C N -0.124 119.177 119.300 0.001 0.000 2.618 284 C HA 0.505 4.985 4.460 0.033 0.000 0.264 284 C C 1.051 176.034 174.990 -0.012 0.000 1.334 284 C CA 0.009 59.044 59.018 0.029 0.000 1.731 284 C CB -1.262 26.469 27.740 -0.015 0.000 1.852 284 C HN 0.637 nan 8.230 nan 0.000 0.566 285 C N 0.206 119.484 119.300 -0.036 0.000 3.046 285 C HA 0.239 4.719 4.460 0.033 0.000 0.388 285 C C 0.359 175.311 174.990 -0.063 0.000 1.041 285 C CA -0.638 58.329 59.018 -0.086 0.000 1.241 285 C CB 0.833 28.496 27.740 -0.129 0.000 1.638 285 C HN 0.478 nan 8.230 nan 0.000 0.539 286 D N 1.400 121.754 120.400 -0.077 0.000 2.369 286 D HA 0.223 4.883 4.640 0.033 0.000 0.231 286 D C 0.106 176.333 176.300 -0.122 0.000 0.967 286 D CA 1.087 55.041 54.000 -0.076 0.000 0.905 286 D CB 0.525 41.290 40.800 -0.059 0.000 1.044 286 D HN 0.485 nan 8.370 nan 0.000 0.487 287 I N 1.672 122.124 120.570 -0.197 0.000 2.530 287 I HA 0.292 4.481 4.170 0.033 0.000 0.297 287 I C -0.152 175.849 176.117 -0.193 0.000 1.011 287 I CA -1.080 60.081 61.300 -0.231 0.000 1.107 287 I CB 2.499 40.273 38.000 -0.377 0.000 1.285 287 I HN -0.137 nan 8.210 nan 0.000 0.436 288 I N 1.932 122.419 120.570 -0.137 0.000 2.437 288 I HA 0.522 4.712 4.170 0.033 0.000 0.298 288 I C -0.625 175.445 176.117 -0.079 0.000 0.984 288 I CA -0.330 60.939 61.300 -0.051 0.000 1.214 288 I CB 1.344 39.368 38.000 0.039 0.000 1.365 288 I HN 0.606 nan 8.210 nan 0.000 0.469 289 Q N 5.245 125.049 119.800 0.007 0.000 2.805 289 Q HA 0.360 4.720 4.340 0.033 0.000 0.360 289 Q C -2.547 173.476 176.000 0.038 0.000 0.832 289 Q CA -1.722 54.082 55.803 0.001 0.000 1.020 289 Q CB 1.032 29.789 28.738 0.032 0.000 1.444 289 Q HN 0.543 nan 8.270 nan 0.000 0.391 290 P HA -0.050 nan 4.420 nan 0.000 0.272 290 P C -0.561 176.706 177.300 -0.056 0.000 1.230 290 P CA 0.028 63.132 63.100 0.007 0.000 0.788 290 P CB 1.032 32.539 31.700 -0.320 0.000 0.949 291 D N 1.102 121.472 120.400 -0.052 0.000 2.274 291 D HA 0.082 4.742 4.640 0.033 0.000 0.239 291 D C 1.379 177.577 176.300 -0.170 0.000 1.104 291 D CA -0.543 53.341 54.000 -0.194 0.000 0.840 291 D CB 1.386 41.843 40.800 -0.572 0.000 1.100 291 D HN -0.065 nan 8.370 nan 0.000 0.477 292 V N 4.057 123.844 119.914 -0.211 0.000 2.317 292 V HA -0.201 3.939 4.120 0.033 0.000 0.251 292 V C 2.303 178.317 176.094 -0.134 0.000 1.065 292 V CA 2.205 64.373 62.300 -0.220 0.000 1.049 292 V CB -0.689 30.992 31.823 -0.238 0.000 0.651 292 V HN 0.736 nan 8.190 nan 0.000 0.450 293 G N -2.310 106.386 108.800 -0.175 0.000 2.848 293 G HA2 -0.101 3.879 3.960 0.033 0.000 0.208 293 G HA3 -0.101 3.879 3.960 0.033 0.000 0.208 293 G C 0.848 175.891 174.900 0.238 0.000 1.152 293 G CA 0.185 45.245 45.100 -0.066 0.000 0.789 293 G HN 0.611 nan 8.290 nan 0.000 0.531 294 W N -1.286 120.050 121.300 0.061 0.000 2.413 294 W HA 0.230 4.927 4.660 0.063 0.000 0.288 294 W C 1.714 178.291 176.519 0.097 0.000 0.958 294 W CA -0.687 56.704 57.345 0.078 0.000 1.333 294 W CB -1.108 28.399 29.460 0.079 0.000 1.002 294 W HN 0.260 nan 8.180 nan 0.000 0.562 295 C N -0.988 118.469 119.300 0.262 0.000 2.926 295 C HA 0.728 5.208 4.460 0.033 0.000 0.272 295 C C 1.765 176.891 174.990 0.226 0.000 1.249 295 C CA 0.790 59.953 59.018 0.242 0.000 1.691 295 C CB -0.237 27.602 27.740 0.165 0.000 1.983 295 C HN 0.423 nan 8.230 nan 0.000 0.615 296 G N -0.641 108.304 108.800 0.241 0.000 2.613 296 G HA2 0.449 4.429 3.960 0.033 0.000 0.199 296 G HA3 0.449 4.429 3.960 0.033 0.000 0.199 296 G C 0.703 175.836 174.900 0.388 0.000 0.991 296 G CA 0.514 45.860 45.100 0.409 0.000 0.756 296 G HN 2.165 nan 8.290 nan 0.000 0.515 297 G N -1.459 107.429 108.800 0.147 0.000 2.526 297 G HA2 0.124 4.104 3.960 0.033 0.000 0.250 297 G HA3 0.124 4.104 3.960 0.033 0.000 0.250 297 G C 0.787 175.652 174.900 -0.058 0.000 1.289 297 G CA 0.142 45.298 45.100 0.093 0.000 0.947 297 G HN 1.119 nan 8.290 nan 0.000 0.517 298 V N 0.738 120.634 119.914 -0.030 0.000 2.358 298 V HA -0.127 4.013 4.120 0.033 0.000 0.246 298 V C 3.175 179.186 176.094 -0.138 0.000 1.047 298 V CA 3.276 65.456 62.300 -0.199 0.000 1.035 298 V CB -1.042 30.497 31.823 -0.474 0.000 0.658 298 V HN 0.969 nan 8.190 nan 0.000 0.452 299 T N -0.423 114.163 114.554 0.054 0.000 2.684 299 T HA -0.247 4.123 4.350 0.033 0.000 0.267 299 T C 1.912 176.385 174.700 -0.378 0.000 1.036 299 T CA 1.915 64.003 62.100 -0.020 0.000 1.148 299 T CB -0.199 68.670 68.868 0.002 0.000 0.863 299 T HN 0.444 nan 8.240 nan 0.000 0.436 300 E N 0.821 120.674 120.200 -0.578 0.000 2.072 300 E HA -0.006 4.364 4.350 0.033 0.000 0.190 300 E C 1.943 178.299 176.600 -0.406 0.000 0.982 300 E CA 0.416 56.423 56.400 -0.655 0.000 0.803 300 E CB -0.550 28.777 29.700 -0.620 0.000 0.755 300 E HN 0.289 nan 8.360 nan 0.000 0.453 301 L N 0.249 121.260 121.223 -0.354 0.000 2.131 301 L HA -0.060 4.300 4.340 0.033 0.000 0.210 301 L C 1.971 178.709 176.870 -0.221 0.000 1.092 301 L CA 1.409 55.993 54.840 -0.426 0.000 0.759 301 L CB -0.426 41.189 42.059 -0.740 0.000 0.903 301 L HN 0.250 nan 8.230 nan 0.000 0.435 302 L N -0.878 120.302 121.223 -0.073 0.000 2.083 302 L HA -0.247 4.113 4.340 0.033 0.000 0.209 302 L C 2.487 179.312 176.870 -0.076 0.000 1.083 302 L CA 1.575 56.450 54.840 0.057 0.000 0.752 302 L CB -0.373 41.692 42.059 0.010 0.000 0.899 302 L HN 0.283 nan 8.230 nan 0.000 0.433 303 K N -0.239 120.048 120.400 -0.188 0.000 2.116 303 K HA -0.036 4.304 4.320 0.033 0.000 0.203 303 K C 2.015 178.483 176.600 -0.221 0.000 1.052 303 K CA 0.910 57.065 56.287 -0.220 0.000 0.952 303 K CB -0.074 32.235 32.500 -0.319 0.000 0.729 303 K HN 0.176 nan 8.250 nan 0.000 0.446 304 I N 1.128 121.535 120.570 -0.271 0.000 2.208 304 I HA -0.329 3.861 4.170 0.033 0.000 0.245 304 I C 2.641 178.618 176.117 -0.233 0.000 1.097 304 I CA 1.246 62.364 61.300 -0.302 0.000 1.363 304 I CB -0.294 37.400 38.000 -0.510 0.000 1.051 304 I HN 0.160 nan 8.210 nan 0.000 0.413 305 S N 0.244 115.851 115.700 -0.155 0.000 2.383 305 S HA -0.094 4.396 4.470 0.033 0.000 0.227 305 S C 2.114 176.673 174.600 -0.069 0.000 1.026 305 S CA 1.220 59.379 58.200 -0.070 0.000 0.981 305 S CB -0.146 63.114 63.200 0.100 0.000 0.818 305 S HN 0.458 nan 8.310 nan 0.000 0.472 306 A N 1.157 123.932 122.820 -0.075 0.000 1.970 306 A HA 0.172 4.512 4.320 0.033 0.000 0.216 306 A C 2.022 179.579 177.584 -0.046 0.000 1.170 306 A CA 1.046 53.044 52.037 -0.065 0.000 0.645 306 A CB -0.717 18.239 19.000 -0.073 0.000 0.816 306 A HN 0.524 nan 8.150 nan 0.000 0.447 307 L N 0.180 121.370 121.223 -0.055 0.000 2.013 307 L HA -0.167 4.192 4.340 0.033 0.000 0.212 307 L C 2.649 179.565 176.870 0.077 0.000 1.073 307 L CA 2.366 57.209 54.840 0.005 0.000 0.753 307 L CB -0.997 41.036 42.059 -0.043 0.000 0.890 307 L HN 0.358 nan 8.230 nan 0.000 0.432 308 A N -1.256 121.559 122.820 -0.009 0.000 1.930 308 A HA -0.185 4.155 4.320 0.033 0.000 0.217 308 A C 1.992 179.590 177.584 0.024 0.000 1.175 308 A CA 1.535 53.572 52.037 0.000 0.000 0.627 308 A CB -0.748 18.207 19.000 -0.075 0.000 0.815 308 A HN 0.520 nan 8.150 nan 0.000 0.443 309 D N 0.385 120.778 120.400 -0.012 0.000 2.116 309 D HA -0.163 4.497 4.640 0.033 0.000 0.193 309 D C 2.187 178.479 176.300 -0.013 0.000 0.998 309 D CA 1.777 55.763 54.000 -0.022 0.000 0.836 309 D CB -0.432 40.343 40.800 -0.043 0.000 0.951 309 D HN 0.431 nan 8.370 nan 0.000 0.449 310 A N -0.047 122.769 122.820 -0.007 0.000 2.019 310 A HA -0.182 4.158 4.320 0.033 0.000 0.219 310 A C 1.636 179.155 177.584 -0.109 0.000 1.164 310 A CA 1.380 53.385 52.037 -0.055 0.000 0.644 310 A CB -0.722 18.239 19.000 -0.065 0.000 0.805 310 A HN 0.304 nan 8.150 nan 0.000 0.449 311 H N 0.033 119.079 119.070 -0.040 0.000 2.539 311 H HA 0.112 4.689 4.556 0.034 0.000 0.267 311 H C 0.104 175.412 175.328 -0.034 0.000 0.982 311 H CA 0.377 56.404 56.048 -0.033 0.000 1.146 311 H CB 0.002 29.745 29.762 -0.032 0.000 1.382 311 H HN 0.490 nan 8.280 nan 0.000 0.577 312 N N 0.091 118.816 118.700 0.042 0.000 2.716 312 N HA -0.199 4.561 4.740 0.033 0.000 0.250 312 N C -0.414 175.104 175.510 0.014 0.000 1.033 312 N CA 0.690 53.748 53.050 0.013 0.000 0.727 312 N CB -1.056 37.430 38.487 -0.002 0.000 0.950 312 N HN 0.397 nan 8.380 nan 0.000 0.541 313 A N 0.128 122.957 122.820 0.015 0.000 2.320 313 A HA 0.707 5.047 4.320 0.033 0.000 0.334 313 A C 0.590 178.138 177.584 -0.060 0.000 1.147 313 A CA -0.613 51.412 52.037 -0.021 0.000 0.820 313 A CB 1.069 20.053 19.000 -0.026 0.000 1.218 313 A HN 0.250 nan 8.150 nan 0.000 0.482 314 L N 1.230 122.399 121.223 -0.090 0.000 2.417 314 L HA 0.362 4.722 4.340 0.033 0.000 0.268 314 L C -0.704 176.073 176.870 -0.155 0.000 1.158 314 L CA -0.381 54.377 54.840 -0.136 0.000 0.819 314 L CB 1.259 43.215 42.059 -0.171 0.000 1.112 314 L HN 0.410 nan 8.230 nan 0.000 0.458 315 V N 4.013 123.830 119.914 -0.162 0.000 2.376 315 V HA 0.257 4.397 4.120 0.033 0.000 0.287 315 V C -0.141 175.861 176.094 -0.153 0.000 1.015 315 V CA -0.496 61.714 62.300 -0.151 0.000 0.834 315 V CB 1.847 33.603 31.823 -0.112 0.000 1.001 315 V HN 0.428 nan 8.190 nan 0.000 0.428 316 V N 7.394 127.221 119.914 -0.146 0.000 2.276 316 V HA 0.317 4.457 4.120 0.033 0.000 0.268 316 V C -2.338 173.770 176.094 0.023 0.000 1.032 316 V CA -1.852 60.404 62.300 -0.073 0.000 0.810 316 V CB 1.299 33.083 31.823 -0.064 0.000 1.060 316 V HN 0.676 nan 8.190 nan 0.000 0.446 317 P HA -0.031 nan 4.420 nan 0.000 0.266 317 P C 0.403 177.765 177.300 0.102 0.000 1.193 317 P CA 0.185 63.290 63.100 0.008 0.000 0.770 317 P CB 0.233 31.907 31.700 -0.043 0.000 0.836 318 H N 1.470 120.522 119.070 -0.030 0.000 3.193 318 H HA -0.074 4.503 4.556 0.035 0.000 0.306 318 H C 0.884 176.181 175.328 -0.051 0.000 0.960 318 H CA 0.300 56.317 56.048 -0.051 0.000 1.375 318 H CB 0.332 29.986 29.762 -0.180 0.000 1.321 318 H HN 0.537 nan 8.280 nan 0.000 0.578 319 G N 3.259 111.874 108.800 -0.308 0.000 2.299 319 G HA2 0.083 4.063 3.960 0.033 0.000 0.256 319 G HA3 0.083 4.063 3.960 0.033 0.000 0.256 319 G C -0.089 174.665 174.900 -0.243 0.000 1.259 319 G CA -0.188 44.785 45.100 -0.210 0.000 0.943 319 G HN 0.555 nan 8.290 nan 0.000 0.479 320 S N 1.686 117.301 115.700 -0.142 0.000 2.825 320 S HA 0.405 4.894 4.470 0.033 0.000 0.242 320 S C 0.767 175.101 174.600 -0.442 0.000 0.980 320 S CA 0.265 58.450 58.200 -0.025 0.000 1.107 320 S CB 0.170 63.375 63.200 0.009 0.000 1.172 320 S HN 1.108 nan 8.310 nan 0.000 0.483 321 S N 1.352 116.661 115.700 -0.651 0.000 3.917 321 S HA -0.284 4.205 4.470 0.033 0.000 0.601 321 S C 1.719 175.432 174.600 -1.479 0.000 2.206 321 S CA 2.172 59.732 58.200 -1.068 0.000 4.167 321 S CB -1.306 61.165 63.200 -1.214 0.000 0.372 321 S HN 1.220 nan 8.310 nan 0.000 0.766 322 V N -0.156 119.111 119.914 -1.079 0.000 2.594 322 V HA -0.041 4.098 4.120 0.033 0.000 0.253 322 V C 1.919 177.799 176.094 -0.357 0.000 1.069 322 V CA 2.472 64.444 62.300 -0.547 0.000 1.082 322 V CB -1.518 30.139 31.823 -0.278 0.000 0.680 322 V HN 0.727 nan 8.190 nan 0.000 0.469 323 Y N 2.678 122.676 120.300 -0.502 0.000 2.242 323 Y HA -0.095 4.478 4.550 0.040 0.000 0.291 323 Y C 3.091 178.881 175.900 -0.184 0.000 1.137 323 Y CA 1.444 59.201 58.100 -0.572 0.000 1.181 323 Y CB -1.032 37.036 38.460 -0.654 0.000 0.989 323 Y HN 0.517 nan 8.280 nan 0.000 0.527 324 S N -1.115 114.522 115.700 -0.105 0.000 2.406 324 S HA -0.139 4.351 4.470 0.033 0.000 0.224 324 S C 1.735 176.456 174.600 0.201 0.000 1.030 324 S CA 0.692 58.904 58.200 0.019 0.000 0.958 324 S CB -0.945 62.241 63.200 -0.023 0.000 0.811 324 S HN 0.336 nan 8.310 nan 0.000 0.489 325 Y N 2.058 122.464 120.300 0.177 0.000 2.181 325 Y HA 0.003 4.575 4.550 0.036 0.000 0.288 325 Y C 2.853 178.818 175.900 0.108 0.000 1.146 325 Y CA 0.847 59.030 58.100 0.139 0.000 1.164 325 Y CB -1.456 37.062 38.460 0.096 0.000 0.982 325 Y HN 0.438 nan 8.280 nan 0.000 0.515 326 H N -1.884 117.393 119.070 0.346 0.000 2.423 326 H HA -0.154 4.422 4.556 0.033 0.000 0.297 326 H C 2.119 177.569 175.328 0.204 0.000 1.075 326 H CA 1.634 57.859 56.048 0.296 0.000 1.342 326 H CB -0.502 29.446 29.762 0.310 0.000 1.395 326 H HN 0.361 nan 8.280 nan 0.000 0.530 327 F N 1.519 121.592 119.950 0.206 0.000 2.098 327 F HA -0.190 4.360 4.527 0.038 0.000 0.294 327 F C 2.568 178.371 175.800 0.005 0.000 1.107 327 F CA 1.413 59.443 58.000 0.049 0.000 1.234 327 F CB -0.366 38.635 39.000 0.001 0.000 1.002 327 F HN -0.055 nan 8.300 nan 0.000 0.472 328 V N -0.876 119.159 119.914 0.201 0.000 2.626 328 V HA -0.049 4.091 4.120 0.033 0.000 0.252 328 V C 2.352 178.404 176.094 -0.070 0.000 1.067 328 V CA 1.290 63.631 62.300 0.067 0.000 1.081 328 V CB -1.916 29.978 31.823 0.119 0.000 0.686 328 V HN 0.357 nan 8.190 nan 0.000 0.468 329 A N 1.741 124.523 122.820 -0.064 0.000 1.986 329 A HA -0.214 4.126 4.320 0.033 0.000 0.220 329 A C 2.412 179.898 177.584 -0.164 0.000 1.171 329 A CA 2.773 54.729 52.037 -0.135 0.000 0.640 329 A CB -1.134 17.756 19.000 -0.183 0.000 0.811 329 A HN 0.887 nan 8.150 nan 0.000 0.451 330 T N -3.874 110.560 114.554 -0.201 0.000 3.086 330 T HA 0.232 4.602 4.350 0.033 0.000 0.250 330 T C 0.534 175.081 174.700 -0.254 0.000 1.074 330 T CA -0.387 61.580 62.100 -0.222 0.000 0.988 330 T CB 0.043 68.755 68.868 -0.259 0.000 0.988 330 T HN 0.163 nan 8.240 nan 0.000 0.530 331 R N 1.932 122.277 120.500 -0.258 0.000 2.295 331 R HA 0.413 4.773 4.340 0.033 0.000 0.324 331 R C 0.871 177.081 176.300 -0.149 0.000 0.968 331 R CA -0.623 55.337 56.100 -0.232 0.000 0.837 331 R CB 1.378 31.529 30.300 -0.248 0.000 1.133 331 R HN 0.227 nan 8.270 nan 0.000 0.450 332 Q N 1.436 121.162 119.800 -0.123 0.000 2.124 332 Q HA -0.144 4.216 4.340 0.033 0.000 0.202 332 Q C 0.908 176.857 176.000 -0.085 0.000 0.977 332 Q CA 1.540 57.288 55.803 -0.091 0.000 0.850 332 Q CB 0.077 28.770 28.738 -0.075 0.000 0.901 332 Q HN 0.551 nan 8.270 nan 0.000 0.429 333 N N -0.597 118.047 118.700 -0.093 0.000 2.421 333 N HA -0.035 4.725 4.740 0.033 0.000 0.201 333 N C -0.260 175.172 175.510 -0.131 0.000 1.198 333 N CA 0.116 53.108 53.050 -0.095 0.000 0.838 333 N CB 0.294 38.732 38.487 -0.082 0.000 1.011 333 N HN -0.180 nan 8.380 nan 0.000 0.463 334 S N 0.952 116.568 115.700 -0.139 0.000 2.112 334 S HA 0.338 4.828 4.470 0.033 0.000 0.151 334 S C -1.993 172.493 174.600 -0.189 0.000 1.723 334 S CA -1.143 56.948 58.200 -0.181 0.000 1.263 334 S CB 0.624 63.762 63.200 -0.104 0.000 1.194 334 S HN 0.126 nan 8.310 nan 0.000 0.419 335 P HA 0.155 nan 4.420 nan 0.000 0.231 335 P C -0.009 177.335 177.300 0.074 0.000 1.168 335 P CA 0.410 63.481 63.100 -0.049 0.000 0.779 335 P CB -0.167 31.577 31.700 0.072 0.000 0.844 336 F N -1.700 118.302 119.950 0.088 0.000 2.643 336 F HA 0.844 5.391 4.527 0.033 0.000 0.314 336 F C -1.230 174.624 175.800 0.090 0.000 1.096 336 F CA -1.964 56.085 58.000 0.082 0.000 0.953 336 F CB 0.741 39.906 39.000 0.273 0.000 1.345 336 F HN -0.140 nan 8.300 nan 0.000 0.468 337 A N 0.376 123.319 122.820 0.206 0.000 2.469 337 A HA 0.648 4.988 4.320 0.033 0.000 0.299 337 A C -1.384 176.297 177.584 0.163 0.000 1.098 337 A CA -0.778 51.324 52.037 0.109 0.000 0.737 337 A CB 1.682 20.605 19.000 -0.127 0.000 1.312 337 A HN 0.930 nan 8.150 nan 0.000 0.414 338 E N 0.457 120.718 120.200 0.103 0.000 2.249 338 E HA 0.500 4.870 4.350 0.033 0.000 0.280 338 E C -1.819 174.919 176.600 0.230 0.000 1.016 338 E CA -0.298 55.957 56.400 -0.243 0.000 0.830 338 E CB 0.792 30.386 29.700 -0.177 0.000 1.081 338 E HN 0.454 nan 8.360 nan 0.000 0.395 339 F N 6.107 126.040 119.950 -0.027 0.000 2.477 339 F HA 0.306 4.855 4.527 0.035 0.000 0.335 339 F C -1.109 174.637 175.800 -0.091 0.000 1.130 339 F CA -0.955 57.039 58.000 -0.011 0.000 0.948 339 F CB 0.844 39.819 39.000 -0.041 0.000 1.154 339 F HN 0.380 nan 8.300 nan 0.000 0.439 344 P HA -0.117 nan 4.420 nan 0.000 0.218 344 P C 0.756 178.026 177.300 -0.049 0.000 1.148 344 P CA 1.556 64.260 63.100 -0.659 0.000 0.822 344 P CB 0.186 31.684 31.700 -0.337 0.000 0.784 345 K N -1.503 118.922 120.400 0.041 0.000 2.399 345 K HA 0.455 4.795 4.320 0.033 0.000 0.204 345 K C 0.543 177.174 176.600 0.052 0.000 1.023 345 K CA 0.210 56.546 56.287 0.082 0.000 1.127 345 K CB 0.243 32.766 32.500 0.037 0.000 0.856 345 K HN -0.119 nan 8.250 nan 0.000 0.514 346 A N 3.000 125.867 122.820 0.078 0.000 2.704 346 A HA -0.201 4.139 4.320 0.033 0.000 0.299 346 A C 0.716 178.286 177.584 -0.023 0.000 1.507 346 A CA 1.530 53.541 52.037 -0.043 0.000 0.776 346 A CB -1.754 17.010 19.000 -0.393 0.000 1.027 346 A HN 0.666 nan 8.150 nan 0.000 0.475 347 D N -1.538 118.879 120.400 0.028 0.000 2.469 347 D HA 0.158 4.817 4.640 0.033 0.000 0.213 347 D C 0.393 176.722 176.300 0.050 0.000 1.135 347 D CA 0.861 54.877 54.000 0.026 0.000 0.834 347 D CB -0.118 40.693 40.800 0.017 0.000 1.009 347 D HN 0.981 nan 8.370 nan 0.000 0.507 348 Q N -0.369 119.478 119.800 0.077 0.000 2.353 348 Q HA 0.514 4.873 4.340 0.033 0.000 0.275 348 Q C -1.305 174.786 176.000 0.150 0.000 1.029 348 Q CA -1.095 54.763 55.803 0.093 0.000 0.848 348 Q CB 2.041 30.818 28.738 0.064 0.000 1.390 348 Q HN -0.175 nan 8.270 nan 0.000 0.401 349 V N 1.986 122.002 119.914 0.171 0.000 2.572 349 V HA 0.362 4.502 4.120 0.033 0.000 0.291 349 V C -0.236 175.974 176.094 0.193 0.000 1.039 349 V CA -0.123 62.323 62.300 0.244 0.000 1.055 349 V CB 1.076 32.989 31.823 0.150 0.000 0.969 349 V HN 0.622 nan 8.190 nan 0.000 0.482 350 V N 6.499 126.589 119.914 0.294 0.000 2.971 350 V HA 0.485 4.625 4.120 0.033 0.000 0.309 350 V C -2.216 174.054 176.094 0.295 0.000 1.130 350 V CA -1.470 60.950 62.300 0.200 0.000 0.964 350 V CB 2.768 34.686 31.823 0.159 0.000 1.029 350 V HN 0.787 nan 8.190 nan 0.000 0.427 354 H N 3.548 122.759 119.070 0.235 0.000 2.764 354 H HA 0.370 4.946 4.556 0.033 0.000 0.341 354 H C -1.609 173.780 175.328 0.103 0.000 1.072 354 H CA -1.038 55.105 56.048 0.157 0.000 1.444 354 H CB 1.335 31.184 29.762 0.145 0.000 1.458 354 H HN -0.131 nan 8.280 nan 0.000 0.572 355 P HA 0.016 nan 4.420 nan 0.000 0.261 355 P C 0.294 177.476 177.300 -0.197 0.000 1.268 355 P CA 0.396 63.098 63.100 -0.663 0.000 0.833 355 P CB 0.415 31.784 31.700 -0.552 0.000 1.231 356 Q N -0.791 118.996 119.800 -0.023 0.000 2.167 356 Q HA -0.002 4.358 4.340 0.033 0.000 0.202 356 Q C 0.224 176.306 176.000 0.138 0.000 0.970 356 Q CA 0.643 56.480 55.803 0.057 0.000 0.855 356 Q CB -0.103 28.695 28.738 0.099 0.000 0.911 356 Q HN 0.241 nan 8.270 nan 0.000 0.438 357 L N 0.610 121.959 121.223 0.209 0.000 2.334 357 L HA 0.432 4.792 4.340 0.033 0.000 0.276 357 L C -0.804 176.192 176.870 0.210 0.000 1.014 357 L CA -0.340 54.657 54.840 0.262 0.000 0.815 357 L CB 1.727 43.970 42.059 0.308 0.000 1.268 357 L HN 0.011 nan 8.230 nan 0.000 0.428 358 L N 1.866 123.205 121.223 0.193 0.000 2.354 358 L HA 0.682 5.042 4.340 0.033 0.000 0.269 358 L C 0.825 177.790 176.870 0.159 0.000 1.005 358 L CA -0.516 54.421 54.840 0.162 0.000 0.819 358 L CB 1.842 43.973 42.059 0.120 0.000 1.311 358 L HN 0.750 nan 8.230 nan 0.000 0.423 359 G N 0.853 109.734 108.800 0.135 0.000 2.157 359 G HA2 -0.249 3.731 3.960 0.033 0.000 0.239 359 G HA3 -0.249 3.731 3.960 0.033 0.000 0.239 359 G C 0.140 175.111 174.900 0.119 0.000 0.982 359 G CA 0.026 45.198 45.100 0.120 0.000 0.650 359 G HN 0.699 nan 8.290 nan 0.000 0.527 360 E N 2.022 122.298 120.200 0.127 0.000 2.265 360 E HA 0.358 4.728 4.350 0.033 0.000 0.272 360 E C -1.415 175.253 176.600 0.114 0.000 1.067 360 E CA -1.320 55.152 56.400 0.120 0.000 0.900 360 E CB 0.726 30.509 29.700 0.138 0.000 1.017 360 E HN 0.314 nan 8.360 nan 0.000 0.431 361 P HA 0.097 nan 4.420 nan 0.000 0.277 361 P C -0.917 176.405 177.300 0.036 0.000 1.240 361 P CA -0.388 62.745 63.100 0.055 0.000 0.798 361 P CB 1.129 32.850 31.700 0.035 0.000 0.979 362 V N -1.871 117.994 119.914 -0.083 0.000 2.876 362 V HA 0.531 4.671 4.120 0.033 0.000 0.312 362 V C -2.787 173.053 176.094 -0.424 0.000 1.085 362 V CA -2.979 59.186 62.300 -0.224 0.000 0.945 362 V CB 0.989 32.747 31.823 -0.108 0.000 1.017 362 V HN 0.305 nan 8.190 nan 0.000 0.428 363 P HA 0.198 nan 4.420 nan 0.000 0.262 363 P C -0.603 176.410 177.300 -0.478 0.000 1.182 363 P CA 0.500 63.178 63.100 -0.703 0.000 0.761 363 P CB 0.195 31.255 31.700 -1.068 0.000 0.795 364 E N 2.615 122.613 120.200 -0.337 0.000 2.133 364 E HA 0.174 4.544 4.350 0.033 0.000 0.274 364 E C -0.036 176.395 176.600 -0.280 0.000 0.930 364 E CA -0.617 55.626 56.400 -0.260 0.000 0.770 364 E CB 0.372 29.968 29.700 -0.173 0.000 1.104 364 E HN 0.292 nan 8.360 nan 0.000 0.403 365 N N 2.776 121.294 118.700 -0.303 0.000 2.727 365 N HA -0.242 4.518 4.740 0.033 0.000 0.249 365 N C 0.538 175.796 175.510 -0.421 0.000 1.048 365 N CA 1.342 54.208 53.050 -0.307 0.000 0.714 365 N CB -1.097 37.277 38.487 -0.189 0.000 0.959 365 N HN 0.934 nan 8.380 nan 0.000 0.544 366 G N -1.765 106.579 108.800 -0.759 0.000 2.168 366 G HA2 -0.340 3.640 3.960 0.033 0.000 0.263 366 G HA3 -0.340 3.640 3.960 0.033 0.000 0.263 366 G C 0.219 174.978 174.900 -0.234 0.000 0.977 366 G CA 0.899 45.487 45.100 -0.854 0.000 0.659 366 G HN 0.603 nan 8.290 nan 0.000 0.533 370 L N 1.507 122.654 121.223 -0.128 0.000 2.187 370 L HA -0.134 4.226 4.340 0.033 0.000 0.213 370 L C 1.967 178.775 176.870 -0.104 0.000 1.100 370 L CA 2.564 57.299 54.840 -0.176 0.000 0.765 370 L CB -0.791 41.124 42.059 -0.240 0.000 0.904 370 L HN 0.768 nan 8.230 nan 0.000 0.437 371 S N -0.965 114.698 115.700 -0.061 0.000 2.500 371 S HA -0.136 4.354 4.470 0.033 0.000 0.239 371 S C 1.763 176.364 174.600 0.000 0.000 0.989 371 S CA 0.388 58.578 58.200 -0.016 0.000 0.951 371 S CB -0.242 62.947 63.200 -0.019 0.000 0.759 371 S HN 0.367 nan 8.310 nan 0.000 0.523 372 R N 0.963 121.452 120.500 -0.019 0.000 2.236 372 R HA 0.282 4.642 4.340 0.033 0.000 0.208 372 R C 0.690 177.011 176.300 0.036 0.000 1.036 372 R CA 0.335 56.434 56.100 -0.001 0.000 1.001 372 R CB -0.736 29.546 30.300 -0.030 0.000 0.896 372 R HN 0.478 nan 8.270 nan 0.000 0.464 373 L N 2.917 124.162 121.223 0.037 0.000 2.923 373 L HA 0.131 4.491 4.340 0.033 0.000 0.231 373 L C 0.355 177.371 176.870 0.243 0.000 1.300 373 L CA -0.288 54.612 54.840 0.099 0.000 1.184 373 L CB 0.226 42.221 42.059 -0.107 0.000 1.511 373 L HN 0.022 nan 8.230 nan 0.000 0.448 374 D N -2.181 118.314 120.400 0.158 0.000 2.407 374 D HA -0.000 4.659 4.640 0.033 0.000 0.208 374 D C 0.583 176.937 176.300 0.090 0.000 1.083 374 D CA -0.074 54.001 54.000 0.125 0.000 0.844 374 D CB 0.416 41.266 40.800 0.083 0.000 0.967 374 D HN 0.124 nan 8.370 nan 0.000 0.506 375 Q N 1.241 121.105 119.800 0.107 0.000 2.260 375 Q HA 0.414 4.774 4.340 0.033 0.000 0.242 375 Q C -2.364 173.666 176.000 0.049 0.000 0.932 375 Q CA -2.109 53.742 55.803 0.079 0.000 0.891 375 Q CB 0.939 29.735 28.738 0.096 0.000 1.222 375 Q HN 0.089 nan 8.270 nan 0.000 0.453 376 P HA 0.115 nan 4.420 nan 0.000 0.269 376 P C 0.467 177.735 177.300 -0.053 0.000 1.215 376 P CA 0.721 63.807 63.100 -0.023 0.000 0.780 376 P CB 0.476 32.177 31.700 0.001 0.000 0.898 377 G N 1.236 109.951 108.800 -0.141 0.000 2.550 377 G HA2 -0.327 3.653 3.960 0.033 0.000 0.277 377 G HA3 -0.327 3.653 3.960 0.033 0.000 0.277 377 G C 0.341 174.939 174.900 -0.504 0.000 1.190 377 G CA 0.071 45.024 45.100 -0.246 0.000 0.971 377 G HN 0.408 nan 8.290 nan 0.000 0.559 378 F N 2.746 122.550 119.950 -0.243 0.000 2.797 378 F HA 0.411 4.959 4.527 0.035 0.000 0.302 378 F C 2.247 177.980 175.800 -0.112 0.000 1.130 378 F CA 1.379 59.144 58.000 -0.392 0.000 1.387 378 F CB 0.388 39.198 39.000 -0.316 0.000 1.107 378 F HN 1.641 nan 8.300 nan 0.000 0.577 379 G N 0.671 109.527 108.800 0.093 0.000 2.159 379 G HA2 -0.228 3.752 3.960 0.033 0.000 0.256 379 G HA3 -0.228 3.752 3.960 0.033 0.000 0.256 379 G C 0.115 175.107 174.900 0.153 0.000 0.977 379 G CA 0.228 45.413 45.100 0.141 0.000 0.652 379 G HN 0.458 nan 8.290 nan 0.000 0.531 380 V N -1.890 118.119 119.914 0.159 0.000 2.994 380 V HA 1.002 5.142 4.120 0.033 0.000 0.318 380 V C 0.271 176.598 176.094 0.389 0.000 1.085 380 V CA 0.056 62.485 62.300 0.215 0.000 0.998 380 V CB 1.791 33.709 31.823 0.159 0.000 1.063 380 V HN 1.166 nan 8.190 nan 0.000 0.447 381 T N 0.304 115.083 114.554 0.375 0.000 2.908 381 T HA 0.683 5.053 4.350 0.033 0.000 0.290 381 T C -0.688 174.119 174.700 0.178 0.000 1.034 381 T CA -0.688 61.608 62.100 0.327 0.000 1.010 381 T CB 1.633 70.585 68.868 0.140 0.000 1.068 381 T HN 0.803 nan 8.240 nan 0.000 0.481 382 L N 3.103 124.133 121.223 -0.321 0.000 2.418 382 L HA 0.332 4.692 4.340 0.033 0.000 0.274 382 L C 0.484 177.264 176.870 -0.151 0.000 1.135 382 L CA -0.090 54.522 54.840 -0.379 0.000 0.870 382 L CB -0.037 41.570 42.059 -0.753 0.000 1.154 382 L HN 0.821 nan 8.230 nan 0.000 0.462 383 N N 6.736 125.403 118.700 -0.056 0.000 2.414 383 N HA 0.036 4.796 4.740 0.033 0.000 0.268 383 N C -1.887 173.578 175.510 -0.075 0.000 1.286 383 N CA -1.208 51.820 53.050 -0.037 0.000 0.896 383 N CB 0.953 39.428 38.487 -0.020 0.000 1.093 383 N HN 0.381 nan 8.380 nan 0.000 0.480 384 P HA -0.023 nan 4.420 nan 0.000 0.226 384 P C 0.250 177.514 177.300 -0.060 0.000 1.153 384 P CA 0.959 64.014 63.100 -0.075 0.000 0.777 384 P CB 0.299 31.967 31.700 -0.053 0.000 0.794 385 E N -1.508 118.665 120.200 -0.045 0.000 2.427 385 E HA -0.029 4.341 4.350 0.033 0.000 0.196 385 E C 0.167 176.739 176.600 -0.047 0.000 1.028 385 E CA 0.068 56.446 56.400 -0.038 0.000 0.864 385 E CB -0.195 29.491 29.700 -0.025 0.000 0.813 385 E HN 0.198 nan 8.360 nan 0.000 0.514 386 C N 2.324 121.588 119.300 -0.061 0.000 2.527 386 C HA 0.133 4.612 4.460 0.033 0.000 0.396 386 C C 0.414 175.367 174.990 -0.062 0.000 1.289 386 C CA -0.710 58.272 59.018 -0.060 0.000 2.047 386 C CB 0.326 28.028 27.740 -0.062 0.000 2.568 386 C HN 0.302 nan 8.230 nan 0.000 0.573 387 Q N 3.764 123.540 119.800 -0.039 0.000 2.441 387 Q HA 0.309 4.669 4.340 0.033 0.000 0.234 387 Q C -0.696 175.301 176.000 -0.006 0.000 1.078 387 Q CA 0.220 56.008 55.803 -0.026 0.000 0.907 387 Q CB 0.653 29.383 28.738 -0.014 0.000 1.269 387 Q HN 0.649 nan 8.270 nan 0.000 0.502 388 L N 2.850 124.050 121.223 -0.038 0.000 2.290 388 L HA 0.278 4.638 4.340 0.033 0.000 0.284 388 L C 0.504 177.466 176.870 0.154 0.000 1.078 388 L CA -0.267 54.565 54.840 -0.014 0.000 0.815 388 L CB 0.461 42.337 42.059 -0.306 0.000 1.162 388 L HN 0.499 nan 8.230 nan 0.000 0.435 389 H N 4.711 123.858 119.070 0.129 0.000 2.457 389 H HA 0.316 4.892 4.556 0.033 0.000 0.335 389 H C -0.783 174.707 175.328 0.270 0.000 1.115 389 H CA -0.946 55.194 56.048 0.152 0.000 1.219 389 H CB 1.492 31.297 29.762 0.070 0.000 1.471 389 H HN 0.522 nan 8.280 nan 0.000 0.491 390 R N 6.399 126.844 120.500 -0.093 0.000 2.346 390 R HA 0.191 4.551 4.340 0.033 0.000 0.309 390 R C -1.959 173.970 176.300 -0.618 0.000 1.119 390 R CA -1.807 54.130 56.100 -0.272 0.000 1.112 390 R CB 0.624 30.857 30.300 -0.111 0.000 1.132 390 R HN 0.563 nan 8.270 nan 0.000 0.538 391 P HA -0.050 nan 4.420 nan 0.000 0.229 391 P C -0.840 175.987 177.300 -0.789 0.000 1.160 391 P CA 0.926 63.530 63.100 -0.828 0.000 0.777 391 P CB 0.269 31.557 31.700 -0.688 0.000 0.814 392 Y N -0.904 119.318 120.300 -0.130 0.000 2.553 392 Y HA 0.481 5.056 4.550 0.041 0.000 0.347 392 Y C 0.954 176.800 175.900 -0.088 0.000 1.019 392 Y CA -0.708 57.348 58.100 -0.073 0.000 1.032 392 Y CB 1.610 40.035 38.460 -0.058 0.000 1.284 392 Y HN -0.253 nan 8.280 nan 0.000 0.466 393 T N -1.880 112.736 114.554 0.103 0.000 2.858 393 T HA 0.743 5.113 4.350 0.033 0.000 0.285 393 T C -0.973 173.778 174.700 0.084 0.000 1.052 393 T CA -0.637 61.484 62.100 0.035 0.000 1.009 393 T CB 2.256 71.091 68.868 -0.055 0.000 1.241 393 T HN 0.879 nan 8.240 nan 0.000 0.542 394 H N -1.576 117.458 119.070 -0.060 0.000 2.933 394 H HA 0.768 5.345 4.556 0.036 0.000 0.310 394 H C -1.310 173.984 175.328 -0.058 0.000 1.351 394 H CA -0.855 55.148 56.048 -0.075 0.000 1.137 394 H CB 1.531 31.231 29.762 -0.104 0.000 1.853 394 H HN 0.671 nan 8.280 nan 0.000 0.539 395 E N 0.000 120.194 120.200 -0.010 0.000 2.725 395 E HA 0.000 4.370 4.350 0.033 0.000 0.291 395 E CA 0.000 56.372 56.400 -0.046 0.000 0.976 395 E CB 0.000 29.660 29.700 -0.067 0.000 0.812 395 E HN 0.000 nan 8.360 nan 0.000 0.440