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_D 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 RPYTH 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 0.000 174.599 174.600 -0.002 0.000 1.055 0 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 0 S CB 0.000 63.199 63.200 -0.001 0.000 0.593 1 L N 3.103 124.324 121.223 -0.003 0.000 2.455 1 L HA 0.408 4.749 4.340 0.001 0.000 0.272 1 L C 0.246 177.114 176.870 -0.004 0.000 1.174 1 L CA 0.392 55.230 54.840 -0.003 0.000 0.869 1 L CB 1.028 43.083 42.059 -0.005 0.000 1.130 1 L HN 0.212 nan 8.230 nan 0.000 0.474 2 S N 4.444 120.143 115.700 -0.002 0.000 2.499 2 S HA 0.417 4.887 4.470 0.001 0.000 0.275 2 S C -0.244 174.355 174.600 -0.003 0.000 1.257 2 S CA -0.593 57.606 58.200 -0.001 0.000 1.050 2 S CB 0.201 63.402 63.200 0.001 0.000 0.937 2 S HN 0.412 nan 8.310 nan 0.000 0.490 3 I N 7.535 128.102 120.570 -0.004 0.000 2.321 3 I HA 0.374 4.545 4.170 0.001 0.000 0.291 3 I C -1.977 174.138 176.117 -0.004 0.000 0.998 3 I CA -2.045 59.251 61.300 -0.008 0.000 1.227 3 I CB 1.423 39.414 38.000 -0.015 0.000 1.368 3 I HN 0.495 nan 8.210 nan 0.000 0.466 4 P HA 0.122 nan 4.420 nan 0.000 0.267 4 P C -0.438 176.864 177.300 0.003 0.000 1.200 4 P CA -0.266 62.836 63.100 0.004 0.000 0.772 4 P CB 0.186 31.890 31.700 0.007 0.000 0.855 5 T N -0.488 114.072 114.554 0.009 0.000 2.847 5 T HA 0.522 4.873 4.350 0.001 0.000 0.279 5 T C 0.349 175.060 174.700 0.018 0.000 0.984 5 T CA -0.875 61.232 62.100 0.012 0.000 0.988 5 T CB 0.496 69.373 68.868 0.015 0.000 1.040 5 T HN 0.365 nan 8.240 nan 0.000 0.528 6 I N -0.513 120.070 120.570 0.022 0.000 2.342 6 I HA 0.448 4.619 4.170 0.001 0.000 0.291 6 I C 1.009 177.147 176.117 0.035 0.000 1.010 6 I CA -0.363 60.955 61.300 0.031 0.000 1.308 6 I CB 1.103 39.124 38.000 0.035 0.000 1.400 6 I HN 0.746 nan 8.210 nan 0.000 0.488 7 K N 3.646 124.070 120.400 0.039 0.000 2.021 7 K HA 0.147 4.467 4.320 0.001 0.000 0.205 7 K C 0.319 176.949 176.600 0.050 0.000 1.047 7 K CA 0.959 57.269 56.287 0.039 0.000 0.943 7 K CB 0.255 32.777 32.500 0.036 0.000 0.725 7 K HN 0.753 nan 8.250 nan 0.000 0.439 8 Q N 0.542 120.379 119.800 0.061 0.000 2.281 8 Q HA 0.176 4.517 4.340 0.001 0.000 0.263 8 Q C -2.104 173.948 176.000 0.087 0.000 0.989 8 Q CA -0.317 55.532 55.803 0.077 0.000 0.852 8 Q CB 2.477 31.248 28.738 0.056 0.000 1.337 8 Q HN 0.087 nan 8.270 nan 0.000 0.418 9 V N 4.549 124.527 119.914 0.107 0.000 2.417 9 V HA 0.641 4.761 4.120 0.001 0.000 0.291 9 V C -1.079 175.058 176.094 0.072 0.000 1.024 9 V CA -0.333 62.016 62.300 0.080 0.000 0.861 9 V CB 1.425 33.275 31.823 0.044 0.000 0.985 9 V HN 0.668 nan 8.190 nan 0.000 0.436 10 R N 5.032 125.527 120.500 -0.009 0.000 2.562 10 R HA 0.823 5.163 4.340 0.001 0.000 0.298 10 R C -0.648 175.460 176.300 -0.319 0.000 0.961 10 R CA -0.396 55.575 56.100 -0.216 0.000 0.881 10 R CB 2.156 32.241 30.300 -0.357 0.000 1.159 10 R HN 0.849 nan 8.270 nan 0.000 0.450 11 A N 3.691 126.278 122.820 -0.389 0.000 2.273 11 A HA 0.629 4.949 4.320 0.001 0.000 0.315 11 A C -1.061 176.247 177.584 -0.460 0.000 1.256 11 A CA -0.488 51.380 52.037 -0.282 0.000 0.851 11 A CB 0.248 19.204 19.000 -0.073 0.000 1.172 11 A HN 0.545 nan 8.150 nan 0.000 0.508 12 F N 1.594 121.585 119.950 0.068 0.000 2.492 12 F HA 0.579 5.107 4.527 0.001 0.000 0.327 12 F C 0.547 176.384 175.800 0.061 0.000 1.079 12 F CA -0.811 57.215 58.000 0.043 0.000 0.967 12 F CB 2.058 41.083 39.000 0.041 0.000 1.169 12 F HN 0.495 nan 8.300 nan 0.000 0.472 13 V N 2.455 122.521 119.914 0.255 0.000 2.732 13 V HA 0.932 5.053 4.120 0.001 0.000 0.310 13 V C -0.950 175.253 176.094 0.181 0.000 1.053 13 V CA -0.767 61.652 62.300 0.199 0.000 0.957 13 V CB 1.611 33.546 31.823 0.187 0.000 1.018 13 V HN 0.812 nan 8.190 nan 0.000 0.452 14 L N 1.834 123.128 121.223 0.120 0.000 2.479 14 L HA 0.855 5.196 4.340 0.001 0.000 0.255 14 L C -0.626 176.272 176.870 0.047 0.000 1.026 14 L CA -1.109 53.777 54.840 0.077 0.000 0.842 14 L CB 2.194 44.279 42.059 0.043 0.000 1.444 14 L HN 0.639 nan 8.230 nan 0.000 0.409 15 R N 0.556 121.073 120.500 0.029 0.000 2.732 15 R HA 0.788 5.129 4.340 0.001 0.000 0.278 15 R C -0.220 176.080 176.300 0.000 0.000 0.976 15 R CA -0.532 55.576 56.100 0.014 0.000 0.963 15 R CB 1.445 31.754 30.300 0.015 0.000 1.150 15 R HN 1.151 nan 8.270 nan 0.000 0.478 16 G N 0.350 109.147 108.800 -0.006 0.000 2.698 16 G HA2 0.312 4.273 3.960 0.001 0.000 0.360 16 G HA3 0.312 4.273 3.960 0.001 0.000 0.360 16 G C 0.237 175.133 174.900 -0.007 0.000 1.005 16 G CA 0.134 45.233 45.100 -0.002 0.000 1.293 16 G HN 1.059 nan 8.290 nan 0.000 0.590 17 G N -0.133 108.658 108.800 -0.016 0.000 2.698 17 G HA2 0.479 4.440 3.960 0.001 0.000 0.225 17 G HA3 0.479 4.440 3.960 0.001 0.000 0.225 17 G C 1.268 176.111 174.900 -0.095 0.000 1.345 17 G CA 1.161 46.250 45.100 -0.017 0.000 0.871 17 G HN 2.939 nan 8.290 nan 0.000 0.540 18 G N -1.366 107.375 108.800 -0.099 0.000 2.527 18 G HA2 0.212 4.172 3.960 0.001 0.000 0.262 18 G HA3 0.212 4.172 3.960 0.001 0.000 0.262 18 G C 1.620 176.092 174.900 -0.714 0.000 1.153 18 G CA 2.440 47.389 45.100 -0.251 0.000 0.954 18 G HN 2.533 nan 8.290 nan 0.000 0.552 19 A N -0.424 121.795 122.820 -1.002 0.000 2.016 19 A HA 0.333 4.653 4.320 0.001 0.000 0.217 19 A C 1.219 178.276 177.584 -0.879 0.000 1.162 19 A CA 1.860 52.991 52.037 -1.511 0.000 0.662 19 A CB -0.254 18.122 19.000 -1.040 0.000 0.812 19 A HN 0.786 nan 8.150 nan 0.000 0.450 20 D N -0.877 119.262 120.400 -0.434 0.000 2.346 20 D HA 0.209 4.850 4.640 0.001 0.000 0.260 20 D C 0.413 176.558 176.300 -0.260 0.000 1.252 20 D CA 0.010 53.896 54.000 -0.189 0.000 0.895 20 D CB 0.140 40.912 40.800 -0.046 0.000 1.097 20 D HN 0.414 nan 8.370 nan 0.000 0.489 21 Y N 1.784 121.972 120.300 -0.187 0.000 2.220 21 Y HA -0.074 4.476 4.550 0.001 0.000 0.291 21 Y C 1.462 177.082 175.900 -0.467 0.000 1.129 21 Y CA 0.993 58.867 58.100 -0.377 0.000 1.161 21 Y CB -0.061 38.071 38.460 -0.547 0.000 0.997 21 Y HN 0.566 nan 8.280 nan 0.000 0.522 22 H N -1.919 117.212 119.070 0.102 0.000 2.507 22 H HA 0.169 4.726 4.556 0.001 0.000 0.294 22 H C -0.437 174.837 175.328 -0.089 0.000 1.064 22 H CA -0.318 55.679 56.048 -0.084 0.000 1.138 22 H CB -0.078 29.606 29.762 -0.129 0.000 1.515 22 H HN -0.002 nan 8.280 nan 0.000 0.547 23 D N 2.050 122.450 120.400 0.000 0.000 2.631 23 D HA 0.064 4.705 4.640 0.001 0.000 0.227 23 D C -0.387 175.901 176.300 -0.020 0.000 1.146 23 D CA -0.110 53.884 54.000 -0.011 0.000 1.009 23 D CB 0.032 40.825 40.800 -0.012 0.000 1.057 23 D HN 0.296 nan 8.370 nan 0.000 0.509 24 Q N 0.358 120.143 119.800 -0.025 0.000 2.394 24 Q HA 0.558 4.899 4.340 0.001 0.000 0.273 24 Q C 0.797 176.819 176.000 0.037 0.000 1.089 24 Q CA -0.707 55.095 55.803 -0.001 0.000 0.812 24 Q CB 2.181 30.873 28.738 -0.076 0.000 1.353 24 Q HN 0.415 nan 8.270 nan 0.000 0.438 25 G N 2.479 111.327 108.800 0.080 0.000 2.652 25 G HA2 -0.379 3.582 3.960 0.001 0.000 0.278 25 G HA3 -0.379 3.582 3.960 0.001 0.000 0.278 25 G C 0.212 175.156 174.900 0.073 0.000 1.263 25 G CA 1.396 46.572 45.100 0.128 0.000 0.966 25 G HN 0.903 nan 8.290 nan 0.000 0.544 26 D N -2.302 118.142 120.400 0.072 0.000 2.663 26 D HA -0.068 4.573 4.640 0.001 0.000 0.229 26 D C 1.171 177.501 176.300 0.049 0.000 0.497 26 D CA 1.405 55.431 54.000 0.043 0.000 0.890 26 D CB -1.375 39.441 40.800 0.026 0.000 1.523 26 D HN 1.944 nan 8.370 nan 0.000 0.688 27 G N 1.027 109.857 108.800 0.051 0.000 4.804 27 G HA2 0.314 4.274 3.960 0.001 0.000 0.310 27 G HA3 0.314 4.274 3.960 0.001 0.000 0.310 27 G C -0.516 174.420 174.900 0.060 0.000 1.389 27 G CA -0.219 44.909 45.100 0.047 0.000 1.106 27 G HN 0.307 nan 8.290 nan 0.000 0.595 28 H N 0.680 119.757 119.070 0.012 0.000 2.457 28 H HA 0.163 4.720 4.556 0.001 0.000 0.335 28 H C 1.187 176.524 175.328 0.015 0.000 1.115 28 H CA -1.034 55.002 56.048 -0.021 0.000 1.219 28 H CB 1.184 30.863 29.762 -0.139 0.000 1.471 28 H HN 0.473 nan 8.280 nan 0.000 0.491 29 W N 4.930 126.434 121.300 0.339 0.000 2.325 29 W HA -0.155 4.505 4.660 0.001 0.000 0.299 29 W C 0.900 177.566 176.519 0.244 0.000 1.215 29 W CA 0.601 58.107 57.345 0.269 0.000 1.244 29 W CB -0.833 28.765 29.460 0.229 0.000 1.140 29 W HN 0.526 nan 8.180 nan 0.000 0.523 30 I N 1.419 121.564 120.570 -0.709 0.000 3.001 30 I HA -0.180 3.991 4.170 0.001 0.000 0.268 30 I C 1.036 176.916 176.117 -0.395 0.000 1.267 30 I CA 1.708 62.432 61.300 -0.961 0.000 1.472 30 I CB -0.379 36.760 38.000 -1.435 0.000 1.089 30 I HN -0.167 nan 8.210 nan 0.000 0.468 31 D N -0.427 119.858 120.400 -0.192 0.000 2.513 31 D HA 0.022 4.663 4.640 0.001 0.000 0.222 31 D C -0.205 176.109 176.300 0.025 0.000 1.210 31 D CA -0.074 53.868 54.000 -0.097 0.000 0.825 31 D CB 0.127 40.871 40.800 -0.093 0.000 1.037 31 D HN 0.070 nan 8.370 nan 0.000 0.506 32 D N 0.004 120.474 120.400 0.117 0.000 2.494 32 D HA 0.054 4.694 4.640 0.001 0.000 0.217 32 D C -0.118 176.339 176.300 0.262 0.000 1.153 32 D CA 0.031 54.136 54.000 0.175 0.000 0.954 32 D CB -0.454 40.463 40.800 0.195 0.000 1.034 32 D HN 0.163 nan 8.370 nan 0.000 0.518 33 H N 3.440 122.566 119.070 0.094 0.000 2.770 33 H HA -0.163 4.394 4.556 0.001 0.000 0.309 33 H C -0.529 174.918 175.328 0.199 0.000 1.206 33 H CA 0.078 56.188 56.048 0.104 0.000 1.147 33 H CB -0.634 29.143 29.762 0.025 0.000 1.422 33 H HN 0.382 nan 8.280 nan 0.000 0.420 34 I N 1.363 121.996 120.570 0.104 0.000 2.496 34 I HA -0.017 4.153 4.170 0.001 0.000 0.285 34 I C 1.355 177.446 176.117 -0.045 0.000 1.080 34 I CA 0.406 61.730 61.300 0.040 0.000 1.404 34 I CB 1.103 39.069 38.000 -0.056 0.000 1.403 34 I HN 0.226 nan 8.210 nan 0.000 0.539 35 S N 5.419 121.101 115.700 -0.031 0.000 2.516 35 S HA 0.335 4.805 4.470 0.001 0.000 0.282 35 S C 0.175 174.833 174.600 0.096 0.000 1.286 35 S CA -0.293 57.896 58.200 -0.018 0.000 1.066 35 S CB -0.057 63.127 63.200 -0.028 0.000 0.884 35 S HN 0.848 nan 8.310 nan 0.000 0.491 36 T N 3.308 117.919 114.554 0.095 0.000 2.883 36 T HA 0.713 5.063 4.350 0.001 0.000 0.296 36 T C -3.047 171.667 174.700 0.023 0.000 1.117 36 T CA -1.940 60.292 62.100 0.221 0.000 1.006 36 T CB 1.122 70.130 68.868 0.234 0.000 1.191 36 T HN 0.352 nan 8.240 nan 0.000 0.508 40 K N -0.027 120.288 120.400 -0.142 0.000 2.365 40 K HA 0.113 4.433 4.320 0.001 0.000 0.199 40 K C -0.162 176.228 176.600 -0.350 0.000 1.045 40 K CA 0.265 56.386 56.287 -0.276 0.000 0.962 40 K CB -0.154 32.103 32.500 -0.406 0.000 0.759 40 K HN 0.293 nan 8.250 nan 0.000 0.469 41 Y N 1.325 121.658 120.300 0.055 0.000 2.341 41 Y HA 0.243 4.793 4.550 0.001 0.000 0.340 41 Y C -1.767 174.197 175.900 0.106 0.000 0.997 41 Y CA -2.968 55.199 58.100 0.111 0.000 1.149 41 Y CB 1.374 39.976 38.460 0.236 0.000 1.171 41 Y HN -0.092 nan 8.280 nan 0.000 0.494 42 P HA -0.168 nan 4.420 nan 0.000 0.218 42 P C 0.603 177.952 177.300 0.082 0.000 1.148 42 P CA 1.517 64.689 63.100 0.121 0.000 0.822 42 P CB 0.366 32.119 31.700 0.088 0.000 0.784 43 E N -1.900 118.319 120.200 0.031 0.000 2.265 43 E HA -0.161 4.190 4.350 0.001 0.000 0.196 43 E C 0.741 177.146 176.600 -0.326 0.000 0.996 43 E CA 1.110 57.396 56.400 -0.190 0.000 0.832 43 E CB -0.830 28.656 29.700 -0.357 0.000 0.756 43 E HN 0.462 nan 8.360 nan 0.000 0.491 44 Y N -0.686 119.695 120.300 0.136 0.000 2.584 44 Y HA 0.339 4.890 4.550 0.001 0.000 0.254 44 Y C 1.777 177.765 175.900 0.145 0.000 1.177 44 Y CA -0.554 57.646 58.100 0.168 0.000 1.216 44 Y CB 0.345 38.938 38.460 0.222 0.000 1.172 44 Y HN -0.113 nan 8.280 nan 0.000 0.529 45 R N 0.267 120.871 120.500 0.174 0.000 2.075 45 R HA -0.151 4.189 4.340 0.001 0.000 0.226 45 R C 2.090 178.348 176.300 -0.071 0.000 1.114 45 R CA 1.389 57.511 56.100 0.037 0.000 0.972 45 R CB 0.207 30.532 30.300 0.041 0.000 0.869 45 R HN 0.252 nan 8.270 nan 0.000 0.437 46 Q N 0.039 119.875 119.800 0.060 0.000 2.096 46 Q HA 0.057 4.398 4.340 0.001 0.000 0.197 46 Q C -0.078 175.963 176.000 0.068 0.000 0.964 46 Q CA 1.008 56.888 55.803 0.129 0.000 0.838 46 Q CB 0.296 29.133 28.738 0.166 0.000 0.906 46 Q HN 0.109 nan 8.270 nan 0.000 0.444 47 S N -0.656 115.073 115.700 0.047 0.000 2.502 47 S HA 0.439 4.910 4.470 0.001 0.000 0.304 47 S C 0.164 174.732 174.600 -0.052 0.000 1.097 47 S CA -0.756 57.438 58.200 -0.009 0.000 1.045 47 S CB 0.932 64.120 63.200 -0.020 0.000 1.019 47 S HN 0.379 nan 8.310 nan 0.000 0.481 48 R N 2.504 122.882 120.500 -0.202 0.000 2.148 48 R HA 0.085 4.426 4.340 0.001 0.000 0.223 48 R C 1.962 177.752 176.300 -0.850 0.000 1.088 48 R CA 0.702 56.464 56.100 -0.563 0.000 0.985 48 R CB -0.082 29.874 30.300 -0.574 0.000 0.880 48 R HN 0.639 nan 8.270 nan 0.000 0.451 49 R N 0.562 120.808 120.500 -0.423 0.000 2.159 49 R HA -0.105 4.235 4.340 0.001 0.000 0.237 49 R C 2.377 178.541 176.300 -0.226 0.000 1.131 49 R CA 1.752 57.672 56.100 -0.301 0.000 0.982 49 R CB -0.277 29.930 30.300 -0.155 0.000 0.868 49 R HN 0.265 nan 8.270 nan 0.000 0.453 50 S N 1.062 116.684 115.700 -0.130 0.000 2.402 50 S HA -0.138 4.332 4.470 0.001 0.000 0.229 50 S C 1.766 176.527 174.600 0.267 0.000 1.021 50 S CA 0.985 59.238 58.200 0.089 0.000 0.974 50 S CB -0.475 62.811 63.200 0.143 0.000 0.800 50 S HN 0.519 nan 8.310 nan 0.000 0.484 51 F N 0.872 120.923 119.950 0.168 0.000 2.789 51 F HA 0.605 5.132 4.527 0.001 0.000 0.300 51 F C 1.232 177.002 175.800 -0.050 0.000 1.132 51 F CA -0.360 57.599 58.000 -0.070 0.000 1.404 51 F CB -0.637 38.201 39.000 -0.270 0.000 1.114 51 F HN 0.320 nan 8.300 nan 0.000 0.584 52 G N 1.702 110.351 108.800 -0.253 0.000 2.309 52 G HA2 -0.238 3.722 3.960 0.001 0.000 0.183 52 G HA3 -0.238 3.722 3.960 0.001 0.000 0.183 52 G C 0.549 175.364 174.900 -0.143 0.000 1.063 52 G CA 0.118 45.142 45.100 -0.126 0.000 0.768 52 G HN 0.535 nan 8.290 nan 0.000 0.490 53 I N 0.351 120.705 120.570 -0.360 0.000 2.676 53 I HA -0.073 4.098 4.170 0.001 0.000 0.259 53 I C 2.013 178.107 176.117 -0.038 0.000 1.194 53 I CA 1.490 62.669 61.300 -0.202 0.000 1.473 53 I CB 0.058 37.796 38.000 -0.437 0.000 1.096 53 I HN 0.477 nan 8.210 nan 0.000 0.443 54 N N 0.087 118.747 118.700 -0.066 0.000 2.280 54 N HA -0.067 4.673 4.740 0.001 0.000 0.192 54 N C 1.446 176.961 175.510 0.007 0.000 1.109 54 N CA 0.267 53.312 53.050 -0.008 0.000 0.855 54 N CB -0.035 38.430 38.487 -0.036 0.000 0.974 54 N HN 0.239 nan 8.380 nan 0.000 0.482 55 V N 0.832 120.749 119.914 0.005 0.000 2.626 55 V HA -0.035 4.085 4.120 0.001 0.000 0.252 55 V C 2.008 178.120 176.094 0.029 0.000 1.067 55 V CA 1.121 63.428 62.300 0.012 0.000 1.081 55 V CB -0.201 31.629 31.823 0.011 0.000 0.686 55 V HN 0.232 nan 8.190 nan 0.000 0.468 56 L N -0.291 120.956 121.223 0.040 0.000 2.130 56 L HA 0.440 4.780 4.340 0.001 0.000 0.200 56 L C 1.372 178.276 176.870 0.056 0.000 1.075 56 L CA 0.909 55.779 54.840 0.050 0.000 0.768 56 L CB -0.775 41.314 42.059 0.051 0.000 0.933 56 L HN 0.507 nan 8.230 nan 0.000 0.451 57 G N -0.187 108.642 108.800 0.048 0.000 2.757 57 G HA2 -0.209 3.752 3.960 0.001 0.000 0.638 57 G HA3 -0.209 3.752 3.960 0.001 0.000 0.638 57 G C -0.308 174.614 174.900 0.037 0.000 1.344 57 G CA -0.511 44.612 45.100 0.038 0.000 0.855 57 G HN 0.062 nan 8.290 nan 0.000 0.537 58 T N 0.602 115.168 114.554 0.020 0.000 2.832 58 T HA 0.460 4.811 4.350 0.001 0.000 0.296 58 T C 0.529 175.269 174.700 0.066 0.000 0.968 58 T CA 0.212 62.318 62.100 0.010 0.000 1.107 58 T CB 1.424 70.274 68.868 -0.030 0.000 0.916 58 T HN 1.106 nan 8.240 nan 0.000 0.517 59 L N 5.070 126.339 121.223 0.076 0.000 2.292 59 L HA 0.553 4.893 4.340 0.001 0.000 0.284 59 L C -0.803 176.144 176.870 0.128 0.000 1.065 59 L CA -0.245 54.659 54.840 0.107 0.000 0.806 59 L CB 0.748 42.867 42.059 0.100 0.000 1.175 59 L HN 0.416 nan 8.230 nan 0.000 0.431 60 V N 6.006 126.032 119.914 0.187 0.000 2.384 60 V HA 0.444 4.565 4.120 0.001 0.000 0.287 60 V C -0.183 176.061 176.094 0.250 0.000 1.020 60 V CA -0.703 61.756 62.300 0.265 0.000 0.850 60 V CB 1.450 33.480 31.823 0.345 0.000 0.987 60 V HN 0.561 nan 8.190 nan 0.000 0.436 61 V N 4.340 124.390 119.914 0.226 0.000 2.427 61 V HA 0.472 4.592 4.120 0.001 0.000 0.286 61 V C -0.002 176.256 176.094 0.273 0.000 1.034 61 V CA -0.456 61.950 62.300 0.176 0.000 0.893 61 V CB 1.637 33.529 31.823 0.115 0.000 0.982 61 V HN 0.934 nan 8.190 nan 0.000 0.452 62 E N 4.144 124.488 120.200 0.241 0.000 2.210 62 E HA 0.628 4.979 4.350 0.001 0.000 0.266 62 E C -1.503 175.214 176.600 0.194 0.000 0.883 62 E CA -0.616 55.961 56.400 0.296 0.000 0.761 62 E CB 1.947 31.882 29.700 0.391 0.000 1.156 62 E HN 0.605 nan 8.360 nan 0.000 0.412 63 I N 3.332 124.018 120.570 0.194 0.000 2.439 63 I HA 0.252 4.423 4.170 0.001 0.000 0.285 63 I C -0.423 175.771 176.117 0.128 0.000 1.021 63 I CA -0.552 60.830 61.300 0.136 0.000 1.091 63 I CB 1.874 39.943 38.000 0.114 0.000 1.242 63 I HN 0.447 nan 8.210 nan 0.000 0.439 64 E N 5.517 125.779 120.200 0.104 0.000 2.133 64 E HA 0.663 5.014 4.350 0.001 0.000 0.274 64 E C -0.783 175.857 176.600 0.067 0.000 0.930 64 E CA -0.474 55.980 56.400 0.090 0.000 0.770 64 E CB 1.724 31.475 29.700 0.085 0.000 1.104 64 E HN 0.746 nan 8.360 nan 0.000 0.403 65 A N 2.500 125.355 122.820 0.059 0.000 2.242 65 A HA 0.255 4.575 4.320 0.001 0.000 0.304 65 A C 1.025 178.631 177.584 0.036 0.000 1.100 65 A CA 0.056 52.119 52.037 0.042 0.000 0.860 65 A CB 0.828 19.849 19.000 0.035 0.000 1.168 65 A HN 0.767 nan 8.150 nan 0.000 0.503 66 S N -0.416 115.300 115.700 0.028 0.000 2.481 66 S HA -0.106 4.364 4.470 0.001 0.000 0.231 66 S C 0.720 175.333 174.600 0.022 0.000 0.996 66 S CA 1.199 59.413 58.200 0.023 0.000 0.942 66 S CB -0.304 62.907 63.200 0.019 0.000 0.768 66 S HN 0.780 nan 8.310 nan 0.000 0.520 67 D N 0.438 120.852 120.400 0.023 0.000 2.325 67 D HA 0.207 4.847 4.640 0.001 0.000 0.225 67 D C 1.373 177.689 176.300 0.027 0.000 1.096 67 D CA 0.525 54.538 54.000 0.022 0.000 0.844 67 D CB -0.607 40.204 40.800 0.019 0.000 0.925 67 D HN 0.549 nan 8.370 nan 0.000 0.513 68 G N 0.412 109.231 108.800 0.033 0.000 2.184 68 G HA2 -0.306 3.655 3.960 0.001 0.000 0.264 68 G HA3 -0.306 3.655 3.960 0.001 0.000 0.264 68 G C 0.196 175.125 174.900 0.048 0.000 0.975 68 G CA -0.075 45.048 45.100 0.038 0.000 0.642 68 G HN 0.433 nan 8.290 nan 0.000 0.536 69 N N -0.185 118.545 118.700 0.049 0.000 2.508 69 N HA 0.425 5.166 4.740 0.001 0.000 0.264 69 N C -0.216 175.343 175.510 0.082 0.000 1.216 69 N CA 0.291 53.379 53.050 0.062 0.000 0.943 69 N CB 1.536 40.055 38.487 0.053 0.000 1.113 69 N HN 0.110 nan 8.380 nan 0.000 0.447 70 V N 1.084 121.063 119.914 0.109 0.000 2.443 70 V HA 0.489 4.609 4.120 0.001 0.000 0.293 70 V C 0.481 176.700 176.094 0.208 0.000 1.021 70 V CA -0.865 61.523 62.300 0.147 0.000 0.848 70 V CB 1.567 33.473 31.823 0.137 0.000 0.998 70 V HN 0.717 nan 8.190 nan 0.000 0.424 71 G N 4.097 113.027 108.800 0.217 0.000 2.371 71 G HA2 0.780 4.740 3.960 0.001 0.000 0.326 71 G HA3 0.780 4.740 3.960 0.001 0.000 0.326 71 G C -1.153 173.967 174.900 0.366 0.000 1.127 71 G CA -0.464 44.794 45.100 0.264 0.000 0.885 71 G HN 0.773 nan 8.290 nan 0.000 0.477 72 F N 0.563 120.639 119.950 0.211 0.000 2.613 72 F HA 0.878 5.405 4.527 0.001 0.000 0.310 72 F C -0.433 175.511 175.800 0.239 0.000 1.085 72 F CA -1.406 56.719 58.000 0.209 0.000 0.945 72 F CB 1.722 40.843 39.000 0.201 0.000 1.298 72 F HN 0.775 nan 8.300 nan 0.000 0.455 73 A N 1.831 124.668 122.820 0.029 0.000 2.515 73 A HA 0.844 5.164 4.320 0.001 0.000 0.296 73 A C -1.322 176.315 177.584 0.090 0.000 1.094 73 A CA -0.429 51.507 52.037 -0.170 0.000 0.718 73 A CB 1.703 20.494 19.000 -0.348 0.000 1.307 73 A HN 1.785 nan 8.150 nan 0.000 0.408 74 V N -1.174 118.783 119.914 0.072 0.000 2.555 74 V HA 0.926 5.047 4.120 0.001 0.000 0.302 74 V C -0.248 175.830 176.094 -0.028 0.000 1.038 74 V CA -0.038 62.323 62.300 0.103 0.000 0.887 74 V CB 0.960 32.882 31.823 0.164 0.000 0.991 74 V HN 1.199 nan 8.190 nan 0.000 0.434 75 T N 1.917 116.460 114.554 -0.017 0.000 2.812 75 T HA 0.523 4.874 4.350 0.001 0.000 0.294 75 T C -0.210 174.534 174.700 0.072 0.000 1.159 75 T CA -0.190 61.929 62.100 0.031 0.000 1.008 75 T CB 2.023 70.955 68.868 0.106 0.000 1.289 75 T HN 0.976 nan 8.240 nan 0.000 0.514 76 T N 1.457 116.156 114.554 0.243 0.000 2.870 76 T HA 0.509 4.859 4.350 0.001 0.000 0.300 76 T C 1.122 175.914 174.700 0.153 0.000 0.989 76 T CA 0.608 62.842 62.100 0.223 0.000 1.139 76 T CB 0.753 69.856 68.868 0.393 0.000 0.920 76 T HN 0.964 nan 8.240 nan 0.000 0.537 77 G N 0.890 109.748 108.800 0.097 0.000 3.827 77 G HA2 0.362 4.323 3.960 0.001 0.000 0.218 77 G HA3 0.362 4.323 3.960 0.001 0.000 0.218 77 G C 0.728 175.677 174.900 0.082 0.000 0.892 77 G CA 0.343 45.489 45.100 0.077 0.000 0.857 77 G HN 1.241 nan 8.290 nan 0.000 0.508 78 G N 1.106 109.959 108.800 0.089 0.000 2.629 78 G HA2 -0.406 3.554 3.960 0.001 0.000 0.313 78 G HA3 -0.406 3.554 3.960 0.001 0.000 0.313 78 G C 0.989 175.967 174.900 0.131 0.000 1.217 78 G CA 1.792 46.954 45.100 0.102 0.000 0.994 78 G HN 1.279 nan 8.290 nan 0.000 0.549 79 E N 1.332 121.620 120.200 0.146 0.000 2.166 79 E HA 0.107 4.457 4.350 0.001 0.000 0.192 79 E C 0.295 177.041 176.600 0.243 0.000 0.967 79 E CA 0.809 57.335 56.400 0.210 0.000 0.840 79 E CB -0.046 29.780 29.700 0.211 0.000 0.795 79 E HN 0.420 nan 8.360 nan 0.000 0.470 80 P HA -0.066 nan 4.420 nan 0.000 0.221 80 P C 1.024 178.394 177.300 0.117 0.000 1.150 80 P CA 1.562 64.721 63.100 0.099 0.000 0.800 80 P CB 0.102 31.825 31.700 0.037 0.000 0.787 81 A N 0.736 123.625 122.820 0.115 0.000 1.930 81 A HA 0.014 4.334 4.320 0.001 0.000 0.217 81 A C 2.481 180.135 177.584 0.117 0.000 1.175 81 A CA 1.835 53.936 52.037 0.107 0.000 0.627 81 A CB -1.449 17.606 19.000 0.091 0.000 0.815 81 A HN 0.217 nan 8.150 nan 0.000 0.443 82 A N -1.422 121.488 122.820 0.150 0.000 1.902 82 A HA -0.155 4.165 4.320 0.001 0.000 0.217 82 A C 2.111 179.767 177.584 0.121 0.000 1.181 82 A CA 1.621 53.752 52.037 0.157 0.000 0.623 82 A CB -0.858 18.277 19.000 0.224 0.000 0.818 82 A HN 0.722 nan 8.150 nan 0.000 0.443 83 Y N 0.350 120.579 120.300 -0.118 0.000 2.165 83 Y HA -0.228 4.323 4.550 0.001 0.000 0.286 83 Y C 2.001 177.774 175.900 -0.211 0.000 1.155 83 Y CA 2.023 59.821 58.100 -0.502 0.000 1.164 83 Y CB -0.185 37.898 38.460 -0.627 0.000 0.978 83 Y HN 0.295 nan 8.280 nan 0.000 0.513 84 I N -1.365 119.295 120.570 0.150 0.000 2.202 84 I HA -0.287 3.883 4.170 0.001 0.000 0.242 84 I C 2.218 178.367 176.117 0.052 0.000 1.091 84 I CA 1.042 62.440 61.300 0.163 0.000 1.368 84 I CB -0.564 37.547 38.000 0.183 0.000 1.058 84 I HN 0.046 nan 8.210 nan 0.000 0.410 85 V N 0.811 120.734 119.914 0.015 0.000 2.252 85 V HA -0.296 3.825 4.120 0.001 0.000 0.249 85 V C 2.482 178.512 176.094 -0.108 0.000 1.056 85 V CA 1.986 64.271 62.300 -0.024 0.000 1.022 85 V CB -0.658 31.159 31.823 -0.010 0.000 0.641 85 V HN 0.435 nan 8.190 nan 0.000 0.445 86 E N -0.158 119.962 120.200 -0.134 0.000 2.051 86 E HA -0.112 4.239 4.350 0.001 0.000 0.189 86 E C 2.272 178.694 176.600 -0.298 0.000 0.979 86 E CA 0.803 57.094 56.400 -0.182 0.000 0.803 86 E CB -0.156 29.539 29.700 -0.007 0.000 0.761 86 E HN 0.539 nan 8.360 nan 0.000 0.451 87 K N -0.265 119.928 120.400 -0.345 0.000 2.186 87 K HA -0.018 4.303 4.320 0.001 0.000 0.202 87 K C 1.909 178.374 176.600 -0.224 0.000 1.052 87 K CA 0.713 56.770 56.287 -0.384 0.000 0.965 87 K CB 0.024 32.050 32.500 -0.789 0.000 0.746 87 K HN 0.283 nan 8.250 nan 0.000 0.457 88 H N 0.091 119.044 119.070 -0.195 0.000 2.332 88 H HA 0.213 4.769 4.556 0.001 0.000 0.316 88 H C 2.026 177.281 175.328 -0.121 0.000 1.069 88 H CA 0.284 56.292 56.048 -0.066 0.000 1.484 88 H CB 0.408 30.244 29.762 0.122 0.000 1.496 88 H HN -0.119 nan 8.280 nan 0.000 0.623 89 L N 0.476 121.767 121.223 0.113 0.000 2.313 89 L HA 0.034 4.374 4.340 0.001 0.000 0.214 89 L C 2.655 179.503 176.870 -0.037 0.000 1.119 89 L CA 0.612 55.528 54.840 0.127 0.000 0.809 89 L CB -0.242 41.862 42.059 0.074 0.000 0.933 89 L HN 0.387 nan 8.230 nan 0.000 0.449 90 A N 1.404 124.090 122.820 -0.222 0.000 1.933 90 A HA -0.218 4.102 4.320 0.001 0.000 0.218 90 A C 2.364 179.774 177.584 -0.290 0.000 1.175 90 A CA 1.592 53.447 52.037 -0.303 0.000 0.628 90 A CB -0.541 18.053 19.000 -0.678 0.000 0.814 90 A HN 0.537 nan 8.150 nan 0.000 0.444 91 R N -1.450 118.788 120.500 -0.437 0.000 2.200 91 R HA -0.139 4.201 4.340 0.001 0.000 0.234 91 R C 1.195 177.257 176.300 -0.397 0.000 1.127 91 R CA 1.911 57.740 56.100 -0.452 0.000 0.989 91 R CB -0.681 29.274 30.300 -0.574 0.000 0.869 91 R HN 0.444 nan 8.270 nan 0.000 0.459 92 F N 0.418 120.365 119.950 -0.005 0.000 2.569 92 F HA 0.203 4.730 4.527 0.001 0.000 0.295 92 F C 1.755 177.557 175.800 0.004 0.000 1.115 92 F CA 0.172 58.176 58.000 0.007 0.000 1.450 92 F CB -0.082 38.923 39.000 0.007 0.000 1.107 92 F HN -0.103 nan 8.300 nan 0.000 0.563 93 L N -0.730 120.561 121.223 0.113 0.000 2.221 93 L HA 0.084 4.424 4.340 0.001 0.000 0.202 93 L C 0.601 177.496 176.870 0.043 0.000 1.074 93 L CA 0.635 55.521 54.840 0.077 0.000 0.795 93 L CB -0.198 41.895 42.059 0.057 0.000 0.960 93 L HN -0.139 nan 8.230 nan 0.000 0.458 94 E N -0.183 120.026 120.200 0.015 0.000 2.223 94 E HA 0.353 4.703 4.350 0.001 0.000 0.282 94 E C 0.701 177.314 176.600 0.021 0.000 1.046 94 E CA 0.596 57.009 56.400 0.022 0.000 0.857 94 E CB 0.622 30.338 29.700 0.027 0.000 1.055 94 E HN 0.309 nan 8.360 nan 0.000 0.409 95 G N 2.430 111.245 108.800 0.026 0.000 2.238 95 G HA2 -0.251 3.709 3.960 0.001 0.000 0.217 95 G HA3 -0.251 3.709 3.960 0.001 0.000 0.217 95 G C 0.330 175.246 174.900 0.027 0.000 0.996 95 G CA -0.187 44.927 45.100 0.024 0.000 0.632 95 G HN 0.746 nan 8.290 nan 0.000 0.503 96 A N 0.481 123.320 122.820 0.032 0.000 2.322 96 A HA 0.795 5.116 4.320 0.001 0.000 0.269 96 A C 0.722 178.317 177.584 0.018 0.000 1.094 96 A CA -0.106 51.950 52.037 0.031 0.000 0.807 96 A CB 0.394 19.419 19.000 0.043 0.000 1.047 96 A HN 0.502 nan 8.150 nan 0.000 0.487 97 R N 0.067 120.573 120.500 0.010 0.000 2.694 97 R HA 0.183 4.524 4.340 0.001 0.000 0.268 97 R C 1.410 177.699 176.300 -0.018 0.000 1.061 97 R CA 0.395 56.493 56.100 -0.003 0.000 1.133 97 R CB 0.544 30.840 30.300 -0.007 0.000 1.020 97 R HN 0.697 nan 8.270 nan 0.000 0.475 98 V N -1.304 118.592 119.914 -0.029 0.000 2.970 98 V HA -0.133 3.988 4.120 0.001 0.000 0.260 98 V C 1.566 177.598 176.094 -0.104 0.000 1.100 98 V CA 1.777 64.046 62.300 -0.052 0.000 1.122 98 V CB -0.560 31.239 31.823 -0.041 0.000 0.721 98 V HN 0.947 nan 8.190 nan 0.000 0.483 99 T N -3.282 111.217 114.554 -0.091 0.000 3.100 99 T HA 0.075 4.426 4.350 0.001 0.000 0.253 99 T C 0.742 175.374 174.700 -0.114 0.000 1.118 99 T CA 0.502 62.529 62.100 -0.122 0.000 1.058 99 T CB -0.430 68.389 68.868 -0.080 0.000 0.953 99 T HN 0.418 nan 8.240 nan 0.000 0.515 100 D N 1.689 122.043 120.400 -0.076 0.000 2.841 100 D HA 0.222 4.862 4.640 0.001 0.000 0.244 100 D C 1.448 177.725 176.300 -0.039 0.000 1.228 100 D CA -0.202 53.774 54.000 -0.039 0.000 0.872 100 D CB -0.215 40.583 40.800 -0.003 0.000 1.082 100 D HN 0.415 nan 8.370 nan 0.000 0.457 101 I N -0.022 120.485 120.570 -0.105 0.000 2.179 101 I HA -0.199 3.972 4.170 0.001 0.000 0.242 101 I C 2.046 178.192 176.117 0.048 0.000 1.088 101 I CA 0.971 62.205 61.300 -0.109 0.000 1.357 101 I CB -0.272 37.520 38.000 -0.346 0.000 1.051 101 I HN 0.102 nan 8.210 nan 0.000 0.409 102 E N 0.734 120.963 120.200 0.048 0.000 2.106 102 E HA -0.201 4.150 4.350 0.001 0.000 0.192 102 E C 2.240 178.920 176.600 0.134 0.000 0.984 102 E CA 0.780 57.237 56.400 0.096 0.000 0.806 102 E CB -0.274 29.458 29.700 0.053 0.000 0.750 102 E HN 0.457 nan 8.360 nan 0.000 0.458 103 R N 0.691 121.245 120.500 0.090 0.000 2.075 103 R HA -0.064 4.277 4.340 0.001 0.000 0.232 103 R C 2.440 178.797 176.300 0.095 0.000 1.126 103 R CA 0.841 56.993 56.100 0.087 0.000 0.963 103 R CB -0.160 30.176 30.300 0.060 0.000 0.858 103 R HN 0.082 nan 8.270 nan 0.000 0.435 104 I N -0.558 120.073 120.570 0.101 0.000 2.142 104 I HA -0.291 3.880 4.170 0.001 0.000 0.240 104 I C 2.153 178.326 176.117 0.093 0.000 1.078 104 I CA 1.466 62.823 61.300 0.094 0.000 1.343 104 I CB -0.459 37.599 38.000 0.097 0.000 1.046 104 I HN 0.340 nan 8.210 nan 0.000 0.405 105 W N 2.246 123.555 121.300 0.015 0.000 2.304 105 W HA -0.344 4.316 4.660 0.001 0.000 0.315 105 W C 2.478 179.014 176.519 0.029 0.000 1.233 105 W CA 2.425 59.791 57.345 0.034 0.000 1.261 105 W CB -0.301 29.191 29.460 0.053 0.000 1.150 105 W HN 0.265 nan 8.180 nan 0.000 0.494 106 D N -0.124 120.494 120.400 0.364 0.000 2.117 106 D HA -0.172 4.468 4.640 0.001 0.000 0.197 106 D C 0.791 177.084 176.300 -0.012 0.000 0.987 106 D CA 1.206 55.369 54.000 0.271 0.000 0.829 106 D CB -0.291 40.653 40.800 0.242 0.000 0.961 106 D HN 0.309 nan 8.370 nan 0.000 0.460 110 N N 0.581 119.160 118.700 -0.201 0.000 2.309 110 N HA -0.068 4.673 4.740 0.001 0.000 0.182 110 N C 1.347 176.766 175.510 -0.153 0.000 1.018 110 N CA 1.751 54.703 53.050 -0.163 0.000 0.876 110 N CB 0.009 38.479 38.487 -0.029 0.000 0.972 110 N HN 0.373 nan 8.380 nan 0.000 0.434 111 S N -0.677 114.913 115.700 -0.184 0.000 2.458 111 S HA -0.031 4.440 4.470 0.001 0.000 0.223 111 S C 1.803 176.516 174.600 0.188 0.000 1.019 111 S CA 0.949 59.185 58.200 0.061 0.000 0.937 111 S CB 0.054 63.342 63.200 0.145 0.000 0.788 111 S HN 0.564 nan 8.310 nan 0.000 0.511 112 T N -0.354 114.074 114.554 -0.211 0.000 3.086 112 T HA 0.260 4.610 4.350 0.001 0.000 0.250 112 T C 1.416 175.778 174.700 -0.563 0.000 1.074 112 T CA -0.145 61.684 62.100 -0.453 0.000 0.988 112 T CB -0.217 68.171 68.868 -0.799 0.000 0.988 112 T HN 0.050 nan 8.240 nan 0.000 0.530 113 L N 2.159 123.168 121.223 -0.357 0.000 2.127 113 L HA -0.027 4.314 4.340 0.001 0.000 0.211 113 L C 2.162 178.933 176.870 -0.165 0.000 1.089 113 L CA 1.558 56.177 54.840 -0.368 0.000 0.757 113 L CB -1.093 40.786 42.059 -0.300 0.000 0.899 113 L HN 0.686 nan 8.230 nan 0.000 0.434 114 Y N -1.891 118.383 120.300 -0.045 0.000 2.574 114 Y HA -0.147 4.403 4.550 0.001 0.000 0.294 114 Y C 1.405 177.394 175.900 0.148 0.000 1.142 114 Y CA 0.975 59.108 58.100 0.056 0.000 1.314 114 Y CB -0.976 37.543 38.460 0.098 0.000 0.991 114 Y HN 0.390 nan 8.280 nan 0.000 0.555 115 Y N -1.707 118.276 120.300 -0.529 0.000 2.779 115 Y HA 0.759 5.309 4.550 0.001 0.000 0.251 115 Y C 0.902 176.639 175.900 -0.272 0.000 1.145 115 Y CA -0.587 57.282 58.100 -0.386 0.000 1.201 115 Y CB 0.097 38.259 38.460 -0.497 0.000 1.281 115 Y HN 0.027 nan 8.280 nan 0.000 0.563 116 G N 0.923 109.423 108.800 -0.499 0.000 3.110 116 G HA2 0.416 4.376 3.960 0.001 0.000 0.207 116 G HA3 0.416 4.376 3.960 0.001 0.000 0.207 116 G C 0.381 175.148 174.900 -0.222 0.000 1.841 116 G CA -0.031 44.792 45.100 -0.462 0.000 0.751 116 G HN 0.195 nan 8.290 nan 0.000 0.771 117 R N -1.200 119.188 120.500 -0.186 0.000 1.384 117 R HA -0.173 4.167 4.340 0.001 0.000 0.053 117 R C 0.284 176.660 176.300 0.126 0.000 0.951 117 R CA 2.169 58.284 56.100 0.024 0.000 1.970 117 R CB -1.366 28.936 30.300 0.002 0.000 0.294 117 R HN 0.455 nan 8.270 nan 0.000 0.723 118 K N 0.026 120.453 120.400 0.046 0.000 2.372 118 K HA 0.569 4.889 4.320 0.001 0.000 0.251 118 K C 0.561 177.169 176.600 0.013 0.000 1.055 118 K CA -0.280 56.045 56.287 0.063 0.000 0.879 118 K CB 1.985 34.518 32.500 0.055 0.000 1.384 118 K HN 0.362 nan 8.250 nan 0.000 0.465 119 G N 0.745 109.557 108.800 0.019 0.000 2.527 119 G HA2 -0.331 3.629 3.960 0.001 0.000 0.268 119 G HA3 -0.331 3.629 3.960 0.001 0.000 0.268 119 G C 0.580 175.463 174.900 -0.028 0.000 1.175 119 G CA 0.451 45.536 45.100 -0.024 0.000 0.962 119 G HN 0.498 nan 8.290 nan 0.000 0.560 120 L N 0.818 122.015 121.223 -0.042 0.000 2.042 120 L HA 0.037 4.377 4.340 0.001 0.000 0.210 120 L C 3.154 180.011 176.870 -0.022 0.000 1.076 120 L CA 2.943 57.766 54.840 -0.029 0.000 0.749 120 L CB -0.700 41.351 42.059 -0.014 0.000 0.893 120 L HN 0.681 nan 8.230 nan 0.000 0.432 121 V N -0.194 119.676 119.914 -0.074 0.000 2.407 121 V HA -0.269 3.852 4.120 0.001 0.000 0.248 121 V C 2.460 178.504 176.094 -0.083 0.000 1.055 121 V CA 1.596 63.809 62.300 -0.145 0.000 1.049 121 V CB -0.579 31.018 31.823 -0.377 0.000 0.662 121 V HN 0.374 nan 8.190 nan 0.000 0.455 122 I N 0.551 121.112 120.570 -0.014 0.000 2.353 122 I HA -0.124 4.047 4.170 0.001 0.000 0.248 122 I C 2.244 178.441 176.117 0.134 0.000 1.119 122 I CA 1.213 62.561 61.300 0.080 0.000 1.417 122 I CB -1.587 36.507 38.000 0.158 0.000 1.078 122 I HN 0.349 nan 8.210 nan 0.000 0.421 123 N N 1.144 119.925 118.700 0.136 0.000 2.091 123 N HA -0.171 4.570 4.740 0.001 0.000 0.193 123 N C 1.807 177.401 175.510 0.141 0.000 1.021 123 N CA 2.177 55.344 53.050 0.195 0.000 0.862 123 N CB -0.644 37.920 38.487 0.129 0.000 1.018 123 N HN 0.346 nan 8.380 nan 0.000 0.429 124 T N 0.683 115.281 114.554 0.073 0.000 2.770 124 T HA 0.090 4.440 4.350 0.001 0.000 0.263 124 T C 2.049 176.769 174.700 0.032 0.000 1.039 124 T CA 0.555 62.684 62.100 0.049 0.000 1.142 124 T CB -0.229 68.654 68.868 0.025 0.000 0.868 124 T HN 0.152 nan 8.240 nan 0.000 0.435 125 I N 1.696 122.264 120.570 -0.003 0.000 2.208 125 I HA -0.212 3.959 4.170 0.001 0.000 0.245 125 I C 2.632 178.798 176.117 0.082 0.000 1.097 125 I CA 1.103 62.385 61.300 -0.030 0.000 1.363 125 I CB -0.413 37.488 38.000 -0.164 0.000 1.051 125 I HN 0.204 nan 8.210 nan 0.000 0.413 126 S N 0.699 116.482 115.700 0.138 0.000 2.382 126 S HA -0.107 4.363 4.470 0.001 0.000 0.228 126 S C 2.152 176.805 174.600 0.089 0.000 1.027 126 S CA 1.222 59.523 58.200 0.167 0.000 0.991 126 S CB -0.848 62.455 63.200 0.171 0.000 0.823 126 S HN 0.638 nan 8.310 nan 0.000 0.469 127 G N 1.832 110.670 108.800 0.063 0.000 2.421 127 G HA2 -0.163 3.798 3.960 0.001 0.000 0.216 127 G HA3 -0.163 3.798 3.960 0.001 0.000 0.216 127 G C 1.465 176.384 174.900 0.031 0.000 1.171 127 G CA 1.054 46.160 45.100 0.011 0.000 0.775 127 G HN 0.422 nan 8.290 nan 0.000 0.543 128 V N 1.261 121.215 119.914 0.066 0.000 2.287 128 V HA -0.210 3.910 4.120 0.001 0.000 0.248 128 V C 2.441 178.614 176.094 0.131 0.000 1.053 128 V CA 2.386 64.737 62.300 0.085 0.000 1.027 128 V CB -0.606 31.257 31.823 0.067 0.000 0.646 128 V HN 0.433 nan 8.190 nan 0.000 0.447 129 D N -0.073 120.438 120.400 0.186 0.000 2.123 129 D HA -0.173 4.467 4.640 0.001 0.000 0.196 129 D C 1.999 178.533 176.300 0.390 0.000 0.992 129 D CA 1.380 55.570 54.000 0.316 0.000 0.833 129 D CB -0.164 40.901 40.800 0.442 0.000 0.954 129 D HN 0.388 nan 8.370 nan 0.000 0.455 130 L N -0.210 121.155 121.223 0.237 0.000 2.201 130 L HA -0.040 4.300 4.340 0.001 0.000 0.212 130 L C 2.469 179.495 176.870 0.260 0.000 1.105 130 L CA 0.863 55.822 54.840 0.199 0.000 0.775 130 L CB -0.355 41.503 42.059 -0.335 0.000 0.913 130 L HN 0.078 nan 8.230 nan 0.000 0.440 131 A N 0.147 123.055 122.820 0.147 0.000 1.898 131 A HA -0.139 4.182 4.320 0.001 0.000 0.216 131 A C 2.244 179.938 177.584 0.184 0.000 1.181 131 A CA 1.196 53.328 52.037 0.158 0.000 0.620 131 A CB -0.623 18.458 19.000 0.135 0.000 0.819 131 A HN 0.319 nan 8.150 nan 0.000 0.442 132 L N -2.462 118.848 121.223 0.145 0.000 2.042 132 L HA -0.249 4.091 4.340 0.001 0.000 0.210 132 L C 2.593 179.454 176.870 -0.015 0.000 1.076 132 L CA 1.521 56.379 54.840 0.030 0.000 0.749 132 L CB -0.439 41.587 42.059 -0.056 0.000 0.893 132 L HN 0.631 nan 8.230 nan 0.000 0.432 133 W N 0.187 121.568 121.300 0.135 0.000 2.388 133 W HA -0.192 4.469 4.660 0.001 0.000 0.294 133 W C 2.386 178.880 176.519 -0.041 0.000 1.212 133 W CA 1.226 58.610 57.345 0.066 0.000 1.271 133 W CB -0.291 29.259 29.460 0.150 0.000 1.126 133 W HN 0.210 nan 8.180 nan 0.000 0.535 134 D N 0.204 120.806 120.400 0.336 0.000 2.092 134 D HA -0.233 4.407 4.640 0.001 0.000 0.193 134 D C 2.060 178.428 176.300 0.113 0.000 0.994 134 D CA 1.575 55.701 54.000 0.209 0.000 0.828 134 D CB -0.373 40.631 40.800 0.339 0.000 0.963 134 D HN -0.044 nan 8.370 nan 0.000 0.450 135 L N 0.036 121.330 121.223 0.118 0.000 2.012 135 L HA -0.101 4.239 4.340 0.001 0.000 0.210 135 L C 2.184 179.063 176.870 0.015 0.000 1.073 135 L CA 1.509 56.392 54.840 0.072 0.000 0.748 135 L CB -1.030 41.068 42.059 0.064 0.000 0.891 135 L HN 0.230 nan 8.230 nan 0.000 0.431 136 L N -0.070 121.134 121.223 -0.032 0.000 2.012 136 L HA -0.081 4.260 4.340 0.001 0.000 0.210 136 L C 2.390 179.237 176.870 -0.039 0.000 1.073 136 L CA 2.184 56.978 54.840 -0.075 0.000 0.748 136 L CB -1.512 40.428 42.059 -0.198 0.000 0.891 136 L HN 0.358 nan 8.230 nan 0.000 0.431 137 G N -1.160 107.622 108.800 -0.030 0.000 2.442 137 G HA2 -0.296 3.664 3.960 0.001 0.000 0.219 137 G HA3 -0.296 3.664 3.960 0.001 0.000 0.219 137 G C 1.748 176.627 174.900 -0.034 0.000 1.141 137 G CA 0.995 46.058 45.100 -0.062 0.000 0.763 137 G HN 0.401 nan 8.290 nan 0.000 0.554 138 K N -0.356 120.044 120.400 -0.001 0.000 2.062 138 K HA 0.106 4.427 4.320 0.001 0.000 0.205 138 K C 2.591 179.202 176.600 0.018 0.000 1.051 138 K CA 0.581 56.883 56.287 0.025 0.000 0.941 138 K CB -0.156 32.382 32.500 0.063 0.000 0.719 138 K HN 0.169 nan 8.250 nan 0.000 0.440 139 V N 1.511 121.431 119.914 0.009 0.000 2.343 139 V HA -0.226 3.894 4.120 0.001 0.000 0.247 139 V C 1.976 178.066 176.094 -0.006 0.000 1.051 139 V CA 1.671 63.972 62.300 0.002 0.000 1.036 139 V CB -0.353 31.466 31.823 -0.007 0.000 0.654 139 V HN 0.264 nan 8.190 nan 0.000 0.451 140 R N -0.428 120.063 120.500 -0.015 0.000 2.299 140 R HA 0.107 4.448 4.340 0.001 0.000 0.197 140 R C 0.614 176.903 176.300 -0.017 0.000 0.971 140 R CA -0.026 56.063 56.100 -0.019 0.000 1.030 140 R CB -0.066 30.218 30.300 -0.026 0.000 0.932 140 R HN 0.458 nan 8.270 nan 0.000 0.477 141 R N 1.111 121.604 120.500 -0.011 0.000 3.416 141 R HA -0.187 4.154 4.340 0.001 0.000 0.263 141 R C -0.874 175.413 176.300 -0.021 0.000 1.053 141 R CA 0.877 56.973 56.100 -0.007 0.000 0.705 141 R CB -1.634 28.667 30.300 0.001 0.000 1.124 141 R HN 0.377 nan 8.270 nan 0.000 0.444 142 E N -0.161 120.012 120.200 -0.044 0.000 2.340 142 E HA 0.342 4.693 4.350 0.001 0.000 0.273 142 E C -2.540 173.984 176.600 -0.128 0.000 0.891 142 E CA -2.525 53.828 56.400 -0.078 0.000 0.757 142 E CB 2.573 32.221 29.700 -0.088 0.000 1.231 142 E HN -0.128 nan 8.360 nan 0.000 0.439 143 P HA -0.033 nan 4.420 nan 0.000 0.269 143 P C 0.844 177.906 177.300 -0.397 0.000 1.209 143 P CA 0.021 62.987 63.100 -0.223 0.000 0.776 143 P CB 1.015 32.641 31.700 -0.124 0.000 0.876 144 V N 2.816 122.373 119.914 -0.595 0.000 2.469 144 V HA -0.277 3.843 4.120 0.001 0.000 0.251 144 V C 2.487 178.427 176.094 -0.257 0.000 1.064 144 V CA 2.637 64.606 62.300 -0.552 0.000 1.066 144 V CB -1.899 29.252 31.823 -1.120 0.000 0.667 144 V HN 0.761 nan 8.190 nan 0.000 0.461 145 H N -0.212 118.873 119.070 0.026 0.000 2.422 145 H HA -0.215 4.342 4.556 0.001 0.000 0.298 145 H C 2.053 177.362 175.328 -0.033 0.000 1.098 145 H CA 1.950 58.022 56.048 0.041 0.000 1.315 145 H CB -0.528 29.316 29.762 0.136 0.000 1.382 145 H HN 0.441 nan 8.280 nan 0.000 0.523 146 Q N 0.135 119.703 119.800 -0.387 0.000 2.297 146 Q HA 0.062 4.402 4.340 0.001 0.000 0.204 146 Q C 1.834 177.773 176.000 -0.102 0.000 0.962 146 Q CA 0.969 56.651 55.803 -0.201 0.000 0.879 146 Q CB 0.160 28.749 28.738 -0.248 0.000 0.947 146 Q HN 0.566 nan 8.270 nan 0.000 0.462 147 L N -0.455 120.713 121.223 -0.093 0.000 2.418 147 L HA 0.007 4.347 4.340 0.001 0.000 0.218 147 L C 1.167 178.030 176.870 -0.012 0.000 1.125 147 L CA 0.407 55.256 54.840 0.015 0.000 0.835 147 L CB 0.135 42.293 42.059 0.164 0.000 0.953 147 L HN 0.151 nan 8.230 nan 0.000 0.454 148 L N 0.137 121.285 121.223 -0.125 0.000 2.848 148 L HA 0.368 4.708 4.340 0.001 0.000 0.240 148 L C 1.107 177.873 176.870 -0.173 0.000 1.232 148 L CA 0.202 54.910 54.840 -0.221 0.000 1.031 148 L CB -0.038 41.785 42.059 -0.393 0.000 1.338 148 L HN 0.385 nan 8.230 nan 0.000 0.509 149 G N -0.528 108.215 108.800 -0.094 0.000 2.175 149 G HA2 -0.110 3.851 3.960 0.001 0.000 0.244 149 G HA3 -0.110 3.851 3.960 0.001 0.000 0.244 149 G C 0.605 175.475 174.900 -0.050 0.000 0.982 149 G CA -0.050 45.006 45.100 -0.073 0.000 0.641 149 G HN 0.882 nan 8.290 nan 0.000 0.527 150 G N -1.020 107.766 108.800 -0.023 0.000 2.730 150 G HA2 0.446 4.406 3.960 0.001 0.000 0.686 150 G HA3 0.446 4.406 3.960 0.001 0.000 0.686 150 G C 0.273 175.189 174.900 0.028 0.000 1.343 150 G CA 0.777 45.903 45.100 0.043 0.000 0.826 150 G HN 2.186 nan 8.290 nan 0.000 0.582 151 A N -0.401 122.454 122.820 0.058 0.000 2.388 151 A HA 0.710 5.030 4.320 0.001 0.000 0.257 151 A C 1.642 179.199 177.584 -0.045 0.000 1.095 151 A CA 0.651 52.668 52.037 -0.034 0.000 0.791 151 A CB 1.002 19.938 19.000 -0.106 0.000 1.029 151 A HN 2.362 nan 8.150 nan 0.000 0.489 152 V N -0.062 119.814 119.914 -0.063 0.000 3.621 152 V HA 0.332 4.453 4.120 0.001 0.000 0.285 152 V C 0.451 176.515 176.094 -0.051 0.000 1.346 152 V CA 0.417 62.685 62.300 -0.054 0.000 1.104 152 V CB -1.423 30.365 31.823 -0.059 0.000 0.913 152 V HN 0.915 nan 8.190 nan 0.000 0.432 153 R N -1.471 118.992 120.500 -0.062 0.000 2.740 153 R HA 0.521 4.862 4.340 0.001 0.000 0.273 153 R C -0.659 175.599 176.300 -0.070 0.000 0.998 153 R CA -0.494 55.571 56.100 -0.059 0.000 0.900 153 R CB 1.195 31.460 30.300 -0.058 0.000 1.223 153 R HN -0.012 nan 8.270 nan 0.000 0.466 154 D N 0.847 121.212 120.400 -0.058 0.000 2.123 154 D HA -0.113 4.527 4.640 0.001 0.000 0.200 154 D C -0.117 176.137 176.300 -0.077 0.000 0.976 154 D CA 1.656 55.619 54.000 -0.061 0.000 0.831 154 D CB 0.434 41.206 40.800 -0.046 0.000 0.974 154 D HN 0.649 nan 8.370 nan 0.000 0.469 155 E N 0.268 120.424 120.200 -0.074 0.000 2.317 155 E HA 0.488 4.838 4.350 0.001 0.000 0.270 155 E C -0.687 175.859 176.600 -0.090 0.000 0.885 155 E CA -0.761 55.591 56.400 -0.080 0.000 0.760 155 E CB 1.991 31.652 29.700 -0.065 0.000 1.227 155 E HN -0.111 nan 8.360 nan 0.000 0.434 156 L N 2.460 123.619 121.223 -0.107 0.000 2.380 156 L HA 0.157 4.498 4.340 0.001 0.000 0.273 156 L C 0.288 177.062 176.870 -0.161 0.000 1.138 156 L CA -0.273 54.455 54.840 -0.187 0.000 0.832 156 L CB 0.543 42.435 42.059 -0.279 0.000 1.124 156 L HN 0.649 nan 8.230 nan 0.000 0.454 157 Q N 2.258 121.938 119.800 -0.200 0.000 2.309 157 Q HA 0.648 4.988 4.340 0.001 0.000 0.264 157 Q C -1.560 174.364 176.000 -0.127 0.000 1.008 157 Q CA -0.660 55.100 55.803 -0.072 0.000 0.853 157 Q CB 2.103 30.842 28.738 0.001 0.000 1.314 157 Q HN 0.346 nan 8.270 nan 0.000 0.448 158 F N 1.585 121.613 119.950 0.130 0.000 2.532 158 F HA 0.431 4.958 4.527 0.001 0.000 0.321 158 F C -0.678 175.362 175.800 0.400 0.000 1.089 158 F CA -1.041 57.120 58.000 0.269 0.000 0.926 158 F CB 1.608 40.793 39.000 0.309 0.000 1.168 158 F HN 0.623 nan 8.300 nan 0.000 0.459 159 Y N 1.078 121.678 120.300 0.500 0.000 2.453 159 Y HA 0.867 5.417 4.550 0.001 0.000 0.326 159 Y C -0.738 175.290 175.900 0.213 0.000 1.186 159 Y CA -1.717 56.564 58.100 0.303 0.000 1.200 159 Y CB 0.829 39.365 38.460 0.126 0.000 1.247 159 Y HN 0.659 nan 8.280 nan 0.000 0.482 160 A N 2.018 124.814 122.820 -0.040 0.000 2.288 160 A HA 0.570 4.890 4.320 0.001 0.000 0.320 160 A C -0.591 176.965 177.584 -0.046 0.000 1.217 160 A CA -0.767 51.040 52.037 -0.383 0.000 0.840 160 A CB 0.185 18.564 19.000 -1.035 0.000 1.179 160 A HN 0.808 nan 8.150 nan 0.000 0.504 161 T N 2.031 116.571 114.554 -0.024 0.000 2.727 161 T HA 0.643 4.993 4.350 0.001 0.000 0.298 161 T C 0.488 175.093 174.700 -0.158 0.000 0.942 161 T CA 0.524 62.665 62.100 0.068 0.000 0.997 161 T CB 0.814 69.829 68.868 0.244 0.000 0.917 161 T HN 1.417 nan 8.240 nan 0.000 0.487 162 G N 0.997 109.537 108.800 -0.433 0.000 2.340 162 G HA2 0.518 4.479 3.960 0.001 0.000 0.299 162 G HA3 0.518 4.479 3.960 0.001 0.000 0.299 162 G C 0.150 174.553 174.900 -0.830 0.000 1.291 162 G CA -0.175 44.185 45.100 -1.233 0.000 0.841 162 G HN 0.556 nan 8.290 nan 0.000 0.500 163 A N -0.833 121.433 122.820 -0.923 0.000 2.218 163 A HA 0.403 4.724 4.320 0.001 0.000 0.209 163 A C 1.068 178.550 177.584 -0.169 0.000 1.168 163 A CA 0.746 52.596 52.037 -0.311 0.000 0.804 163 A CB -0.006 18.947 19.000 -0.078 0.000 0.834 163 A HN 0.236 nan 8.150 nan 0.000 0.482 164 R N -0.093 120.271 120.500 -0.226 0.000 2.651 164 R HA 0.226 4.567 4.340 0.001 0.000 0.282 164 R C -2.487 173.757 176.300 -0.095 0.000 1.565 164 R CA -1.813 54.214 56.100 -0.122 0.000 1.661 164 R CB 0.463 30.701 30.300 -0.104 0.000 1.189 164 R HN 0.236 nan 8.270 nan 0.000 0.621 165 P HA -0.126 nan 4.420 nan 0.000 0.226 165 P C 0.665 177.937 177.300 -0.046 0.000 1.153 165 P CA 0.957 64.079 63.100 0.037 0.000 0.777 165 P CB 0.358 32.134 31.700 0.126 0.000 0.794 166 D N 0.287 120.627 120.400 -0.100 0.000 2.183 166 D HA -0.129 4.512 4.640 0.001 0.000 0.203 166 D C 1.979 178.188 176.300 -0.151 0.000 0.969 166 D CA 0.869 54.766 54.000 -0.172 0.000 0.842 166 D CB -1.064 39.666 40.800 -0.117 0.000 0.957 166 D HN 0.210 nan 8.370 nan 0.000 0.484 167 L N 0.519 121.690 121.223 -0.085 0.000 2.072 167 L HA 0.026 4.366 4.340 0.001 0.000 0.205 167 L C 2.897 179.766 176.870 -0.001 0.000 1.079 167 L CA 0.983 55.796 54.840 -0.045 0.000 0.752 167 L CB -0.569 41.474 42.059 -0.028 0.000 0.906 167 L HN 0.041 nan 8.230 nan 0.000 0.436 168 A N -0.350 122.483 122.820 0.022 0.000 1.948 168 A HA -0.307 4.013 4.320 0.001 0.000 0.220 168 A C 2.270 179.994 177.584 0.234 0.000 1.177 168 A CA 1.988 54.119 52.037 0.157 0.000 0.636 168 A CB -0.598 18.445 19.000 0.072 0.000 0.815 168 A HN 0.507 nan 8.150 nan 0.000 0.449 169 Q N -0.047 119.700 119.800 -0.089 0.000 2.084 169 Q HA -0.133 4.208 4.340 0.001 0.000 0.202 169 Q C 0.669 176.601 176.000 -0.114 0.000 0.978 169 Q CA 1.103 56.718 55.803 -0.314 0.000 0.844 169 Q CB -0.068 28.112 28.738 -0.929 0.000 0.898 169 Q HN 0.645 nan 8.270 nan 0.000 0.426 173 F N 1.616 121.614 119.950 0.079 0.000 2.589 173 F HA 0.246 4.773 4.527 0.001 0.000 0.352 173 F C 2.187 178.074 175.800 0.145 0.000 1.168 173 F CA 0.588 58.667 58.000 0.131 0.000 1.353 173 F CB 0.708 39.826 39.000 0.197 0.000 1.116 173 F HN 0.148 nan 8.300 nan 0.000 0.608 174 I N -0.899 119.763 120.570 0.153 0.000 3.226 174 I HA 0.405 4.575 4.170 0.001 0.000 0.277 174 I C 0.742 176.409 176.117 -0.749 0.000 1.243 174 I CA 0.563 61.682 61.300 -0.302 0.000 1.459 174 I CB -0.377 37.276 38.000 -0.578 0.000 1.093 174 I HN 0.469 nan 8.210 nan 0.000 0.453 175 G N 0.090 108.578 108.800 -0.520 0.000 2.646 175 G HA2 0.574 4.534 3.960 0.001 0.000 0.291 175 G HA3 0.574 4.534 3.960 0.001 0.000 0.291 175 G C -1.431 173.292 174.900 -0.295 0.000 1.445 175 G CA -0.298 44.297 45.100 -0.840 0.000 0.814 175 G HN 0.242 nan 8.290 nan 0.000 0.495 176 G N -0.058 108.573 108.800 -0.282 0.000 2.737 176 G HA2 0.570 4.530 3.960 0.001 0.000 0.290 176 G HA3 0.570 4.530 3.960 0.001 0.000 0.290 176 G C -0.589 174.252 174.900 -0.098 0.000 1.482 176 G CA -0.432 44.685 45.100 0.029 0.000 1.017 176 G HN 0.611 nan 8.290 nan 0.000 0.529 180 L N 1.872 123.050 121.223 -0.075 0.000 2.305 180 L HA 0.353 4.694 4.340 0.001 0.000 0.281 180 L C 1.143 177.830 176.870 -0.305 0.000 1.085 180 L CA 0.184 54.883 54.840 -0.235 0.000 0.813 180 L CB 0.659 42.589 42.059 -0.216 0.000 1.157 180 L HN 0.473 nan 8.230 nan 0.000 0.436 181 H N 2.277 121.300 119.070 -0.078 0.000 2.582 181 H HA 0.273 4.829 4.556 0.001 0.000 0.269 181 H C -0.510 174.596 175.328 -0.369 0.000 0.962 181 H CA 0.099 56.012 56.048 -0.225 0.000 1.230 181 H CB 0.317 29.885 29.762 -0.323 0.000 1.445 181 H HN 0.464 nan 8.280 nan 0.000 0.528 182 H N -0.018 119.166 119.070 0.190 0.000 2.658 182 H HA 0.385 4.941 4.556 0.001 0.000 0.337 182 H C 0.292 175.606 175.328 -0.024 0.000 1.009 182 H CA -0.532 55.597 56.048 0.135 0.000 1.231 182 H CB 1.647 31.512 29.762 0.172 0.000 1.508 182 H HN 0.334 nan 8.280 nan 0.000 0.517 183 G N 1.907 110.692 108.800 -0.023 0.000 2.537 183 G HA2 0.225 4.186 3.960 0.001 0.000 0.297 183 G HA3 0.225 4.186 3.960 0.001 0.000 0.297 183 G C -1.594 173.003 174.900 -0.505 0.000 1.310 183 G CA -1.559 43.364 45.100 -0.295 0.000 1.027 183 G HN 0.248 nan 8.290 nan 0.000 0.505 184 P HA -0.112 nan 4.420 nan 0.000 0.218 184 P C 2.106 179.288 177.300 -0.197 0.000 1.148 184 P CA 1.937 64.681 63.100 -0.593 0.000 0.822 184 P CB 0.119 31.581 31.700 -0.396 0.000 0.784 185 S N -0.938 114.666 115.700 -0.160 0.000 2.515 185 S HA -0.069 4.402 4.470 0.001 0.000 0.231 185 S C 1.433 176.017 174.600 -0.027 0.000 0.987 185 S CA 0.693 58.843 58.200 -0.084 0.000 0.936 185 S CB -0.918 62.221 63.200 -0.103 0.000 0.766 185 S HN 0.245 nan 8.310 nan 0.000 0.528 186 E N 1.228 121.424 120.200 -0.007 0.000 2.465 186 E HA 0.377 4.727 4.350 0.001 0.000 0.191 186 E C 1.279 177.912 176.600 0.056 0.000 1.053 186 E CA 0.020 56.447 56.400 0.045 0.000 0.869 186 E CB 0.094 29.858 29.700 0.107 0.000 0.977 186 E HN 0.630 nan 8.360 nan 0.000 0.483 187 G N 1.999 110.841 108.800 0.070 0.000 2.575 187 G HA2 -0.350 3.610 3.960 0.001 0.000 0.267 187 G HA3 -0.350 3.610 3.960 0.001 0.000 0.267 187 G C 0.613 175.597 174.900 0.139 0.000 1.264 187 G CA 0.090 45.248 45.100 0.098 0.000 0.935 187 G HN 0.245 nan 8.290 nan 0.000 0.568 188 E N 0.455 120.705 120.200 0.083 0.000 2.208 188 E HA -0.033 4.318 4.350 0.001 0.000 0.193 188 E C 2.408 179.032 176.600 0.040 0.000 0.988 188 E CA 1.234 57.670 56.400 0.060 0.000 0.828 188 E CB -0.175 29.544 29.700 0.032 0.000 0.763 188 E HN 0.571 nan 8.360 nan 0.000 0.478 189 E N 0.460 120.673 120.200 0.021 0.000 2.051 189 E HA -0.104 4.246 4.350 0.001 0.000 0.192 189 E C 2.177 178.741 176.600 -0.060 0.000 0.991 189 E CA 1.160 57.549 56.400 -0.018 0.000 0.799 189 E CB -0.500 29.182 29.700 -0.030 0.000 0.748 189 E HN 0.339 nan 8.360 nan 0.000 0.449 190 G N 1.531 110.306 108.800 -0.042 0.000 2.442 190 G HA2 -0.247 3.713 3.960 0.001 0.000 0.219 190 G HA3 -0.247 3.713 3.960 0.001 0.000 0.219 190 G C 1.592 176.543 174.900 0.086 0.000 1.141 190 G CA 0.799 45.855 45.100 -0.074 0.000 0.763 190 G HN 0.215 nan 8.290 nan 0.000 0.554 191 L N 0.479 121.797 121.223 0.158 0.000 2.046 191 L HA 0.106 4.447 4.340 0.001 0.000 0.208 191 L C 2.585 179.496 176.870 0.069 0.000 1.077 191 L CA 1.922 56.837 54.840 0.125 0.000 0.747 191 L CB -0.619 41.443 42.059 0.004 0.000 0.896 191 L HN 0.138 nan 8.230 nan 0.000 0.432 192 K N -0.867 119.559 120.400 0.043 0.000 2.217 192 K HA -0.090 4.231 4.320 0.001 0.000 0.202 192 K C 2.055 178.685 176.600 0.051 0.000 1.051 192 K CA 0.997 57.312 56.287 0.045 0.000 0.952 192 K CB 0.016 32.532 32.500 0.027 0.000 0.736 192 K HN 0.278 nan 8.250 nan 0.000 0.453 193 K N 0.406 120.816 120.400 0.018 0.000 2.062 193 K HA -0.038 4.282 4.320 0.001 0.000 0.205 193 K C 1.691 178.410 176.600 0.199 0.000 1.051 193 K CA 0.939 57.250 56.287 0.040 0.000 0.941 193 K CB -0.057 32.332 32.500 -0.185 0.000 0.719 193 K HN 0.098 nan 8.250 nan 0.000 0.440 194 N N 1.497 120.349 118.700 0.254 0.000 2.037 194 N HA -0.194 4.547 4.740 0.001 0.000 0.196 194 N C 1.896 177.565 175.510 0.266 0.000 1.034 194 N CA 1.346 54.537 53.050 0.236 0.000 0.861 194 N CB -0.449 38.091 38.487 0.089 0.000 1.039 194 N HN 0.140 nan 8.380 nan 0.000 0.427 195 L N 1.114 122.451 121.223 0.192 0.000 2.093 195 L HA -0.097 4.243 4.340 0.001 0.000 0.208 195 L C 2.229 179.112 176.870 0.022 0.000 1.085 195 L CA 0.992 55.934 54.840 0.170 0.000 0.755 195 L CB -0.394 41.780 42.059 0.192 0.000 0.904 195 L HN 0.205 nan 8.230 nan 0.000 0.435 196 E N 0.119 120.346 120.200 0.045 0.000 2.051 196 E HA -0.282 4.068 4.350 0.001 0.000 0.192 196 E C 2.092 178.686 176.600 -0.010 0.000 0.991 196 E CA 1.320 57.718 56.400 -0.003 0.000 0.799 196 E CB -0.004 29.717 29.700 0.034 0.000 0.748 196 E HN 0.417 nan 8.360 nan 0.000 0.449 197 E N 0.475 120.728 120.200 0.089 0.000 2.085 197 E HA -0.240 4.110 4.350 0.001 0.000 0.194 197 E C 2.141 178.771 176.600 0.050 0.000 0.994 197 E CA 0.927 57.402 56.400 0.124 0.000 0.801 197 E CB -0.010 29.853 29.700 0.272 0.000 0.743 197 E HN 0.107 nan 8.360 nan 0.000 0.453 198 L N 0.571 121.819 121.223 0.041 0.000 2.056 198 L HA -0.060 4.280 4.340 0.001 0.000 0.207 198 L C 2.225 178.885 176.870 -0.349 0.000 1.078 198 L CA 2.110 56.858 54.840 -0.153 0.000 0.749 198 L CB -0.657 41.338 42.059 -0.106 0.000 0.901 198 L HN 0.147 nan 8.230 nan 0.000 0.433 199 A N -1.191 121.284 122.820 -0.575 0.000 1.908 199 A HA -0.108 4.213 4.320 0.001 0.000 0.218 199 A C 1.557 178.997 177.584 -0.239 0.000 1.181 199 A CA 1.702 53.331 52.037 -0.681 0.000 0.627 199 A CB -1.323 17.301 19.000 -0.627 0.000 0.818 199 A HN 0.513 nan 8.150 nan 0.000 0.445 203 E N 0.553 120.756 120.200 0.005 0.000 2.072 203 E HA -0.139 4.212 4.350 0.001 0.000 0.191 203 E C 1.383 177.977 176.600 -0.011 0.000 0.985 203 E CA 1.284 57.690 56.400 0.009 0.000 0.801 203 E CB 0.120 29.822 29.700 0.004 0.000 0.750 203 E HN 0.202 nan 8.360 nan 0.000 0.452 204 R N -0.106 120.375 120.500 -0.031 0.000 2.066 204 R HA -0.120 4.220 4.340 0.001 0.000 0.232 204 R C 2.492 178.742 176.300 -0.083 0.000 1.131 204 R CA 1.572 57.639 56.100 -0.055 0.000 0.955 204 R CB -0.198 30.062 30.300 -0.066 0.000 0.851 204 R HN 0.264 nan 8.270 nan 0.000 0.432 205 V N -2.938 116.925 119.914 -0.085 0.000 3.235 205 V HA 0.360 4.480 4.120 0.001 0.000 0.259 205 V C 0.949 177.011 176.094 -0.053 0.000 1.133 205 V CA 0.532 62.743 62.300 -0.149 0.000 1.128 205 V CB -0.629 31.083 31.823 -0.185 0.000 0.757 205 V HN 0.449 nan 8.190 nan 0.000 0.469 206 G N 1.249 110.050 108.800 0.002 0.000 2.760 206 G HA2 -0.133 3.827 3.960 0.001 0.000 0.246 206 G HA3 -0.133 3.827 3.960 0.001 0.000 0.246 206 G C -1.612 173.334 174.900 0.077 0.000 1.359 206 G CA -0.088 45.032 45.100 0.033 0.000 0.861 206 G HN 0.404 nan 8.290 nan 0.000 0.541 207 P HA 0.232 nan 4.420 nan 0.000 0.255 207 P C 0.260 177.619 177.300 0.099 0.000 1.248 207 P CA 1.045 64.194 63.100 0.081 0.000 0.807 207 P CB 0.433 32.168 31.700 0.058 0.000 1.150 208 D N -1.569 118.904 120.400 0.122 0.000 2.457 208 D HA 0.078 4.719 4.640 0.001 0.000 0.254 208 D C 0.329 176.731 176.300 0.169 0.000 1.097 208 D CA -0.201 53.876 54.000 0.129 0.000 0.870 208 D CB -0.203 40.649 40.800 0.087 0.000 1.253 208 D HN 0.068 nan 8.370 nan 0.000 0.500 209 F N 1.872 121.826 119.950 0.008 0.000 2.563 209 F HA 0.088 4.615 4.527 0.001 0.000 0.363 209 F C -0.084 175.771 175.800 0.091 0.000 1.123 209 F CA -0.602 57.380 58.000 -0.030 0.000 1.307 209 F CB 0.471 39.447 39.000 -0.040 0.000 1.115 209 F HN -0.177 nan 8.300 nan 0.000 0.592 210 W N 8.038 128.871 121.300 -0.778 0.000 2.266 210 W HA 0.434 5.095 4.660 0.001 0.000 0.317 210 W C -0.564 175.559 176.519 -0.661 0.000 1.310 210 W CA -0.855 56.100 57.345 -0.651 0.000 1.207 210 W CB 0.023 29.054 29.460 -0.714 0.000 1.199 210 W HN 0.374 nan 8.180 nan 0.000 0.544 214 D N 2.660 123.313 120.400 0.421 0.000 2.233 214 D HA 0.356 4.996 4.640 0.001 0.000 0.240 214 D C -0.074 176.412 176.300 0.310 0.000 1.074 214 D CA -0.213 54.013 54.000 0.377 0.000 0.838 214 D CB 1.749 42.779 40.800 0.384 0.000 1.124 214 D HN 0.656 nan 8.370 nan 0.000 0.475 215 C N 3.724 123.192 119.300 0.280 0.000 3.038 215 C HA 0.172 4.633 4.460 0.001 0.000 0.279 215 C C 0.560 175.704 174.990 0.257 0.000 1.276 215 C CA -0.840 58.298 59.018 0.199 0.000 1.697 215 C CB -1.934 25.892 27.740 0.142 0.000 2.032 215 C HN 0.855 nan 8.230 nan 0.000 0.636 219 L N 2.352 123.524 121.223 -0.085 0.000 2.397 219 L HA 0.808 5.148 4.340 0.001 0.000 0.266 219 L C -0.132 176.687 176.870 -0.084 0.000 1.040 219 L CA -0.940 53.847 54.840 -0.088 0.000 0.800 219 L CB 0.455 42.533 42.059 0.033 0.000 1.324 219 L HN 0.347 nan 8.230 nan 0.000 0.469 220 D N -0.980 119.399 120.400 -0.036 0.000 2.497 220 D HA 0.258 4.898 4.640 0.001 0.000 0.243 220 D C 0.486 176.786 176.300 0.000 0.000 1.039 220 D CA -0.799 53.180 54.000 -0.035 0.000 1.052 220 D CB 1.160 41.940 40.800 -0.033 0.000 1.344 220 D HN 0.270 nan 8.370 nan 0.000 0.553 221 L N 0.691 121.898 121.223 -0.025 0.000 2.013 221 L HA -0.180 4.160 4.340 0.001 0.000 0.212 221 L C 1.610 178.490 176.870 0.017 0.000 1.073 221 L CA 2.088 56.916 54.840 -0.019 0.000 0.753 221 L CB -0.979 41.069 42.059 -0.018 0.000 0.890 221 L HN 0.704 nan 8.230 nan 0.000 0.432 222 N N -1.802 116.918 118.700 0.034 0.000 2.171 222 N HA -0.262 4.478 4.740 0.001 0.000 0.184 222 N C 2.144 177.685 175.510 0.051 0.000 1.021 222 N CA 1.382 54.453 53.050 0.036 0.000 0.854 222 N CB -0.240 38.267 38.487 0.034 0.000 0.994 222 N HN 0.540 nan 8.380 nan 0.000 0.426 223 Y N 1.565 121.853 120.300 -0.020 0.000 2.163 223 Y HA -0.117 4.433 4.550 0.001 0.000 0.288 223 Y C 2.522 178.417 175.900 -0.009 0.000 1.136 223 Y CA 1.965 60.057 58.100 -0.014 0.000 1.147 223 Y CB -0.485 37.963 38.460 -0.021 0.000 0.987 223 Y HN 0.158 nan 8.280 nan 0.000 0.509 224 A N -0.539 122.390 122.820 0.181 0.000 1.892 224 A HA -0.260 4.060 4.320 0.001 0.000 0.218 224 A C 2.218 179.819 177.584 0.029 0.000 1.188 224 A CA 2.571 54.668 52.037 0.100 0.000 0.631 224 A CB -1.453 17.582 19.000 0.059 0.000 0.822 224 A HN 0.518 nan 8.150 nan 0.000 0.447 225 T N -0.420 114.141 114.554 0.012 0.000 2.684 225 T HA -0.166 4.184 4.350 0.001 0.000 0.267 225 T C 2.067 176.750 174.700 -0.029 0.000 1.036 225 T CA 1.717 63.817 62.100 0.001 0.000 1.148 225 T CB -0.254 68.615 68.868 0.002 0.000 0.863 225 T HN 0.535 nan 8.240 nan 0.000 0.436 226 R N 0.184 120.636 120.500 -0.081 0.000 2.092 226 R HA 0.052 4.392 4.340 0.001 0.000 0.231 226 R C 2.413 178.624 176.300 -0.149 0.000 1.119 226 R CA 0.791 56.816 56.100 -0.124 0.000 0.970 226 R CB -0.492 29.702 30.300 -0.175 0.000 0.864 226 R HN 0.245 nan 8.270 nan 0.000 0.440 227 L N 0.745 121.841 121.223 -0.210 0.000 2.027 227 L HA -0.076 4.265 4.340 0.001 0.000 0.206 227 L C 2.265 179.153 176.870 0.031 0.000 1.074 227 L CA 1.920 56.686 54.840 -0.124 0.000 0.745 227 L CB -0.568 41.417 42.059 -0.122 0.000 0.898 227 L HN 0.102 nan 8.230 nan 0.000 0.433 228 A N -0.281 122.567 122.820 0.047 0.000 1.883 228 A HA -0.276 4.045 4.320 0.001 0.000 0.217 228 A C 2.514 180.137 177.584 0.065 0.000 1.186 228 A CA 1.962 54.051 52.037 0.088 0.000 0.624 228 A CB -0.689 18.360 19.000 0.081 0.000 0.822 228 A HN 0.514 nan 8.150 nan 0.000 0.444 229 R N -0.617 119.900 120.500 0.029 0.000 2.081 229 R HA -0.088 4.252 4.340 0.001 0.000 0.235 229 R C 2.249 178.561 176.300 0.019 0.000 1.131 229 R CA 1.690 57.799 56.100 0.015 0.000 0.960 229 R CB -0.779 29.519 30.300 -0.003 0.000 0.856 229 R HN 0.450 nan 8.270 nan 0.000 0.436 230 G N -0.343 108.474 108.800 0.028 0.000 2.440 230 G HA2 -0.278 3.683 3.960 0.001 0.000 0.218 230 G HA3 -0.278 3.683 3.960 0.001 0.000 0.218 230 G C 1.428 176.410 174.900 0.137 0.000 1.154 230 G CA 0.720 45.858 45.100 0.064 0.000 0.767 230 G HN 0.482 nan 8.290 nan 0.000 0.552 231 A N 0.890 123.815 122.820 0.176 0.000 2.168 231 A HA 0.076 4.397 4.320 0.001 0.000 0.215 231 A C 2.291 179.965 177.584 0.150 0.000 1.152 231 A CA 1.446 53.635 52.037 0.253 0.000 0.716 231 A CB -0.352 18.816 19.000 0.280 0.000 0.794 231 A HN 0.471 nan 8.150 nan 0.000 0.465 232 R N 1.084 121.620 120.500 0.059 0.000 2.115 232 R HA -0.176 4.165 4.340 0.001 0.000 0.230 232 R C 1.659 177.925 176.300 -0.056 0.000 1.111 232 R CA 1.836 57.941 56.100 0.008 0.000 0.976 232 R CB -0.542 29.759 30.300 0.002 0.000 0.870 232 R HN 0.694 nan 8.270 nan 0.000 0.445 233 E N -0.222 119.877 120.200 -0.169 0.000 2.347 233 E HA -0.158 4.193 4.350 0.001 0.000 0.196 233 E C 0.306 176.653 176.600 -0.422 0.000 1.008 233 E CA 0.701 56.905 56.400 -0.326 0.000 0.852 233 E CB -0.151 29.281 29.700 -0.447 0.000 0.783 233 E HN 0.548 nan 8.360 nan 0.000 0.505 234 Y N 0.341 120.650 120.300 0.015 0.000 2.524 234 Y HA 0.391 4.942 4.550 0.001 0.000 0.266 234 Y C 1.363 177.256 175.900 -0.011 0.000 1.180 234 Y CA -0.206 57.898 58.100 0.006 0.000 1.244 234 Y CB 0.766 39.231 38.460 0.007 0.000 1.125 234 Y HN 0.164 nan 8.280 nan 0.000 0.524 235 G N 1.126 109.968 108.800 0.070 0.000 2.249 235 G HA2 -0.344 3.617 3.960 0.001 0.000 0.273 235 G HA3 -0.344 3.617 3.960 0.001 0.000 0.273 235 G C 0.032 174.932 174.900 -0.000 0.000 1.036 235 G CA 0.094 45.212 45.100 0.030 0.000 0.824 235 G HN 0.391 nan 8.290 nan 0.000 0.504 236 L N -0.287 120.938 121.223 0.003 0.000 2.559 236 L HA 0.354 4.694 4.340 0.001 0.000 0.274 236 L C 1.738 178.551 176.870 -0.095 0.000 1.205 236 L CA 1.259 56.058 54.840 -0.068 0.000 0.907 236 L CB 0.492 42.540 42.059 -0.019 0.000 1.153 236 L HN 0.297 nan 8.230 nan 0.000 0.490 237 K N 4.564 124.834 120.400 -0.217 0.000 2.021 237 K HA -0.019 4.301 4.320 0.001 0.000 0.205 237 K C -0.452 176.121 176.600 -0.045 0.000 1.047 237 K CA 1.236 57.367 56.287 -0.260 0.000 0.943 237 K CB 0.092 32.239 32.500 -0.589 0.000 0.725 237 K HN 0.745 nan 8.250 nan 0.000 0.439 238 W N -0.047 121.164 121.300 -0.148 0.000 3.167 238 W HA 0.447 5.108 4.660 0.001 0.000 0.324 238 W C -1.789 174.744 176.519 0.022 0.000 1.230 238 W CA -1.565 55.739 57.345 -0.069 0.000 1.184 238 W CB 0.259 29.664 29.460 -0.092 0.000 1.414 238 W HN -0.116 nan 8.180 nan 0.000 0.551 239 I N 3.037 123.871 120.570 0.441 0.000 2.339 239 I HA 0.408 4.579 4.170 0.001 0.000 0.290 239 I C -0.602 175.765 176.117 0.416 0.000 0.994 239 I CA -0.562 60.983 61.300 0.408 0.000 1.191 239 I CB 1.201 39.374 38.000 0.289 0.000 1.343 239 I HN 0.708 nan 8.210 nan 0.000 0.458 240 E N 7.036 127.511 120.200 0.459 0.000 2.171 240 E HA 0.221 4.571 4.350 0.001 0.000 0.271 240 E C -0.458 176.314 176.600 0.285 0.000 0.916 240 E CA -0.428 56.184 56.400 0.354 0.000 0.774 240 E CB 1.035 31.030 29.700 0.491 0.000 1.128 240 E HN 0.679 nan 8.360 nan 0.000 0.403 241 E N 2.304 122.649 120.200 0.241 0.000 2.228 241 E HA -0.316 4.035 4.350 0.001 0.000 0.213 241 E C 0.393 177.124 176.600 0.218 0.000 1.282 241 E CA 0.289 56.839 56.400 0.250 0.000 0.707 241 E CB -1.014 28.780 29.700 0.157 0.000 1.150 241 E HN 0.676 nan 8.360 nan 0.000 0.362 242 A N 0.299 123.246 122.820 0.211 0.000 1.933 242 A HA -0.020 4.301 4.320 0.001 0.000 0.218 242 A C 1.123 178.665 177.584 -0.071 0.000 1.175 242 A CA 0.962 53.037 52.037 0.062 0.000 0.628 242 A CB 0.193 19.211 19.000 0.031 0.000 0.814 242 A HN 0.314 nan 8.150 nan 0.000 0.444 243 L N -1.295 119.795 121.223 -0.220 0.000 2.319 243 L HA 0.416 4.757 4.340 0.001 0.000 0.267 243 L C -2.625 174.165 176.870 -0.133 0.000 1.011 243 L CA -2.624 52.011 54.840 -0.341 0.000 0.818 243 L CB 1.193 42.785 42.059 -0.779 0.000 1.316 243 L HN -0.126 nan 8.230 nan 0.000 0.432 244 P HA 0.008 nan 4.420 nan 0.000 0.265 244 P C -2.022 175.246 177.300 -0.052 0.000 1.187 244 P CA -0.723 62.304 63.100 -0.122 0.000 0.766 244 P CB 0.079 31.702 31.700 -0.130 0.000 0.820 245 P HA -0.131 nan 4.420 nan 0.000 0.223 245 P C 0.566 177.624 177.300 -0.404 0.000 1.151 245 P CA 1.300 64.306 63.100 -0.158 0.000 0.787 245 P CB 0.208 31.811 31.700 -0.161 0.000 0.788 246 D N -0.033 120.202 120.400 -0.275 0.000 2.312 246 D HA -0.096 4.544 4.640 0.001 0.000 0.211 246 D C 0.376 176.557 176.300 -0.199 0.000 0.964 246 D CA 0.900 54.747 54.000 -0.255 0.000 0.877 246 D CB -0.196 40.593 40.800 -0.019 0.000 0.924 246 D HN 0.151 nan 8.370 nan 0.000 0.515 247 D N -0.033 120.298 120.400 -0.115 0.000 2.713 247 D HA -0.017 4.623 4.640 0.001 0.000 0.229 247 D C 0.797 177.126 176.300 0.048 0.000 1.136 247 D CA -0.269 53.795 54.000 0.107 0.000 1.010 247 D CB -0.404 40.424 40.800 0.047 0.000 1.084 247 D HN 0.079 nan 8.370 nan 0.000 0.495 248 Y N 0.254 120.507 120.300 -0.079 0.000 2.165 248 Y HA -0.207 4.343 4.550 0.001 0.000 0.286 248 Y C 2.167 177.991 175.900 -0.126 0.000 1.155 248 Y CA 1.178 59.122 58.100 -0.260 0.000 1.164 248 Y CB -0.398 37.635 38.460 -0.711 0.000 0.978 248 Y HN 0.478 nan 8.280 nan 0.000 0.513 249 W N -0.491 120.932 121.300 0.204 0.000 2.381 249 W HA -0.078 4.582 4.660 0.000 0.000 0.301 249 W C 2.485 179.045 176.519 0.068 0.000 1.205 249 W CA 0.999 58.412 57.345 0.114 0.000 1.285 249 W CB -1.283 28.223 29.460 0.076 0.000 1.133 249 W HN 0.182 nan 8.180 nan 0.000 0.521 250 G N -0.080 108.903 108.800 0.304 0.000 2.418 250 G HA2 -0.301 3.660 3.960 0.001 0.000 0.217 250 G HA3 -0.301 3.660 3.960 0.001 0.000 0.217 250 G C 1.275 176.186 174.900 0.018 0.000 1.158 250 G CA 0.847 46.003 45.100 0.092 0.000 0.771 250 G HN 0.216 nan 8.290 nan 0.000 0.545 251 Y N 1.193 121.522 120.300 0.047 0.000 2.165 251 Y HA -0.101 4.449 4.550 0.001 0.000 0.286 251 Y C 3.214 179.129 175.900 0.026 0.000 1.155 251 Y CA 1.096 59.204 58.100 0.012 0.000 1.164 251 Y CB -0.087 38.352 38.460 -0.035 0.000 0.978 251 Y HN 0.281 nan 8.280 nan 0.000 0.513 252 A N 0.018 122.957 122.820 0.199 0.000 1.902 252 A HA -0.216 4.104 4.320 0.001 0.000 0.217 252 A C 2.015 179.662 177.584 0.105 0.000 1.181 252 A CA 1.854 53.967 52.037 0.127 0.000 0.623 252 A CB -0.586 18.478 19.000 0.106 0.000 0.818 252 A HN 0.519 nan 8.150 nan 0.000 0.443 253 E N -0.868 119.396 120.200 0.107 0.000 2.077 253 E HA -0.187 4.163 4.350 0.001 0.000 0.193 253 E C 1.948 178.584 176.600 0.060 0.000 0.989 253 E CA 1.249 57.696 56.400 0.078 0.000 0.800 253 E CB -0.230 29.514 29.700 0.073 0.000 0.746 253 E HN 0.513 nan 8.360 nan 0.000 0.452 254 L N 1.224 122.481 121.223 0.057 0.000 2.056 254 L HA -0.131 4.209 4.340 0.001 0.000 0.207 254 L C 2.342 179.254 176.870 0.070 0.000 1.078 254 L CA 1.637 56.506 54.840 0.049 0.000 0.749 254 L CB -0.284 41.790 42.059 0.025 0.000 0.901 254 L HN -0.096 nan 8.230 nan 0.000 0.433 255 R N -0.726 119.827 120.500 0.089 0.000 2.081 255 R HA -0.147 4.194 4.340 0.001 0.000 0.235 255 R C 2.445 178.778 176.300 0.055 0.000 1.131 255 R CA 1.559 57.703 56.100 0.075 0.000 0.960 255 R CB -0.146 30.197 30.300 0.073 0.000 0.856 255 R HN 0.347 nan 8.270 nan 0.000 0.436 256 R N -0.191 120.341 120.500 0.053 0.000 2.091 256 R HA -0.110 4.230 4.340 0.001 0.000 0.238 256 R C 1.863 178.185 176.300 0.037 0.000 1.136 256 R CA 1.897 58.023 56.100 0.043 0.000 0.959 256 R CB -0.399 29.927 30.300 0.044 0.000 0.856 256 R HN 0.486 nan 8.270 nan 0.000 0.437 257 N N 0.237 118.960 118.700 0.039 0.000 2.416 257 N HA 0.034 4.774 4.740 0.001 0.000 0.177 257 N C 0.223 175.752 175.510 0.032 0.000 1.036 257 N CA -0.191 52.877 53.050 0.031 0.000 0.901 257 N CB 0.212 38.715 38.487 0.028 0.000 0.976 257 N HN 0.133 nan 8.380 nan 0.000 0.444 258 A N 2.348 125.193 122.820 0.041 0.000 2.520 258 A HA 0.175 4.495 4.320 0.001 0.000 0.235 258 A C -2.077 175.528 177.584 0.036 0.000 1.065 258 A CA -0.774 51.291 52.037 0.046 0.000 0.764 258 A CB -0.238 18.798 19.000 0.059 0.000 1.002 258 A HN 0.026 nan 8.150 nan 0.000 0.502 259 P HA 0.138 nan 4.420 nan 0.000 0.265 259 P C 0.206 177.520 177.300 0.024 0.000 1.193 259 P CA 0.297 63.411 63.100 0.025 0.000 0.765 259 P CB 0.199 31.913 31.700 0.024 0.000 0.823 260 T N 0.538 115.103 114.554 0.017 0.000 2.853 260 T HA 0.465 4.816 4.350 0.001 0.000 0.298 260 T C 0.653 175.361 174.700 0.013 0.000 0.978 260 T CA 0.228 62.338 62.100 0.016 0.000 1.152 260 T CB -0.182 68.694 68.868 0.013 0.000 0.914 260 T HN 0.872 nan 8.240 nan 0.000 0.539 265 T N 0.377 114.879 114.554 -0.087 0.000 2.906 265 T HA 0.939 5.290 4.350 0.001 0.000 0.295 265 T C -0.662 173.947 174.700 -0.151 0.000 1.061 265 T CA -0.269 61.689 62.100 -0.237 0.000 1.000 265 T CB 2.448 70.972 68.868 -0.572 0.000 1.103 265 T HN 1.135 nan 8.240 nan 0.000 0.486 266 T N -0.996 113.426 114.554 -0.220 0.000 2.700 266 T HA 0.650 5.000 4.350 0.001 0.000 0.307 266 T C 0.335 174.944 174.700 -0.152 0.000 1.580 266 T CA 0.502 62.457 62.100 -0.242 0.000 0.992 266 T CB 0.893 69.360 68.868 -0.669 0.000 1.577 266 T HN 1.977 nan 8.240 nan 0.000 0.496 267 G N 1.030 109.762 108.800 -0.113 0.000 2.935 267 G HA2 -0.112 3.848 3.960 0.001 0.000 0.213 267 G HA3 -0.112 3.848 3.960 0.001 0.000 0.213 267 G C 0.685 175.642 174.900 0.094 0.000 0.984 267 G CA 0.995 46.116 45.100 0.034 0.000 0.790 267 G HN 0.931 nan 8.290 nan 0.000 0.538 268 E N 0.211 120.385 120.200 -0.043 0.000 2.204 268 E HA -0.056 4.294 4.350 0.001 0.000 0.194 268 E C 1.198 177.723 176.600 -0.125 0.000 0.989 268 E CA 1.192 57.514 56.400 -0.130 0.000 0.824 268 E CB -0.337 29.116 29.700 -0.412 0.000 0.756 268 E HN 0.641 nan 8.360 nan 0.000 0.477 269 H N -0.083 119.040 119.070 0.088 0.000 2.503 269 H HA 0.346 4.902 4.556 0.001 0.000 0.296 269 H C -0.857 174.449 175.328 -0.038 0.000 1.097 269 H CA -0.399 55.671 56.048 0.036 0.000 1.055 269 H CB 0.448 30.140 29.762 -0.118 0.000 1.580 269 H HN 0.068 nan 8.280 nan 0.000 0.546 270 E N 1.435 121.644 120.200 0.015 0.000 2.195 270 E HA 0.678 5.029 4.350 0.001 0.000 0.271 270 E C -1.039 175.562 176.600 0.002 0.000 0.923 270 E CA -1.048 55.242 56.400 -0.184 0.000 0.790 270 E CB 1.186 30.472 29.700 -0.690 0.000 1.155 270 E HN 0.317 nan 8.360 nan 0.000 0.402 271 A N 3.129 125.971 122.820 0.038 0.000 2.365 271 A HA 0.854 5.174 4.320 0.001 0.000 0.318 271 A C -0.380 177.356 177.584 0.254 0.000 1.091 271 A CA 0.081 52.253 52.037 0.225 0.000 0.763 271 A CB 0.672 19.803 19.000 0.218 0.000 1.248 271 A HN 1.389 nan 8.150 nan 0.000 0.442 272 T N -1.132 113.607 114.554 0.309 0.000 0.541 272 T HA -0.235 4.115 4.350 0.001 0.000 0.774 272 T C 0.856 175.617 174.700 0.101 0.000 0.992 272 T CA 1.090 63.300 62.100 0.184 0.000 4.077 272 T CB -0.716 68.319 68.868 0.279 0.000 2.303 272 T HN 1.991 nan 8.240 nan 0.000 0.398 273 R N 0.433 120.747 120.500 -0.310 0.000 2.120 273 R HA -0.074 4.266 4.340 0.001 0.000 0.234 273 R C 1.954 178.087 176.300 -0.279 0.000 1.123 273 R CA 1.752 57.604 56.100 -0.414 0.000 0.975 273 R CB -0.425 29.412 30.300 -0.771 0.000 0.866 273 R HN 0.787 nan 8.270 nan 0.000 0.446 274 W N 0.917 122.243 121.300 0.043 0.000 2.494 274 W HA 0.210 4.870 4.660 0.001 0.000 0.286 274 W C 2.365 178.855 176.519 -0.048 0.000 1.218 274 W CA 0.663 58.009 57.345 0.002 0.000 1.313 274 W CB -0.807 28.661 29.460 0.014 0.000 1.105 274 W HN 0.336 nan 8.180 nan 0.000 0.561 275 G N 0.527 109.435 108.800 0.180 0.000 2.440 275 G HA2 -0.278 3.683 3.960 0.001 0.000 0.218 275 G HA3 -0.278 3.683 3.960 0.001 0.000 0.218 275 G C 1.301 176.081 174.900 -0.199 0.000 1.154 275 G CA 0.716 45.799 45.100 -0.028 0.000 0.767 275 G HN 0.113 nan 8.290 nan 0.000 0.552 276 F N 0.739 120.675 119.950 -0.022 0.000 2.325 276 F HA 0.229 4.757 4.527 0.001 0.000 0.299 276 F C 1.886 177.607 175.800 -0.132 0.000 1.090 276 F CA 0.278 58.226 58.000 -0.086 0.000 1.392 276 F CB -0.070 38.858 39.000 -0.119 0.000 1.053 276 F HN -0.024 nan 8.300 nan 0.000 0.521 280 L N 0.595 121.700 121.223 -0.197 0.000 2.095 280 L HA 0.040 4.380 4.340 0.001 0.000 0.204 280 L C 1.187 177.854 176.870 -0.339 0.000 1.080 280 L CA 1.011 55.638 54.840 -0.356 0.000 0.759 280 L CB -0.077 41.571 42.059 -0.685 0.000 0.914 280 L HN 0.220 nan 8.230 nan 0.000 0.439 284 C N 0.514 119.806 119.300 -0.014 0.000 2.450 284 C HA 0.317 4.777 4.460 0.001 0.000 0.279 284 C C 1.539 176.524 174.990 -0.008 0.000 1.335 284 C CA 0.818 59.846 59.018 0.018 0.000 1.749 284 C CB -1.425 26.294 27.740 -0.035 0.000 1.963 284 C HN 0.893 nan 8.230 nan 0.000 0.501 285 C N -1.951 117.313 119.300 -0.060 0.000 3.285 285 C HA 0.450 4.911 4.460 0.001 0.000 0.325 285 C C 0.335 175.278 174.990 -0.079 0.000 1.304 285 C CA -0.781 58.188 59.018 -0.082 0.000 1.319 285 C CB 0.652 28.290 27.740 -0.170 0.000 1.640 285 C HN 0.339 nan 8.230 nan 0.000 0.477 286 D N 0.475 120.823 120.400 -0.086 0.000 2.213 286 D HA 0.149 4.790 4.640 0.001 0.000 0.205 286 D C 0.302 176.518 176.300 -0.140 0.000 0.961 286 D CA 1.416 55.362 54.000 -0.090 0.000 0.853 286 D CB 0.495 41.252 40.800 -0.071 0.000 0.967 286 D HN 0.612 nan 8.370 nan 0.000 0.496 287 I N 1.692 122.135 120.570 -0.211 0.000 2.498 287 I HA 0.271 4.441 4.170 0.001 0.000 0.290 287 I C -0.175 175.817 176.117 -0.209 0.000 1.032 287 I CA -1.087 60.062 61.300 -0.251 0.000 1.073 287 I CB 2.514 40.264 38.000 -0.416 0.000 1.251 287 I HN -0.193 nan 8.210 nan 0.000 0.426 288 I N 2.646 123.126 120.570 -0.151 0.000 2.440 288 I HA 0.456 4.627 4.170 0.001 0.000 0.294 288 I C -0.463 175.590 176.117 -0.107 0.000 0.995 288 I CA -0.198 61.059 61.300 -0.072 0.000 1.306 288 I CB 0.999 39.007 38.000 0.014 0.000 1.407 288 I HN 0.617 nan 8.210 nan 0.000 0.501 289 Q N 5.566 125.350 119.800 -0.026 0.000 2.928 289 Q HA 0.381 4.722 4.340 0.001 0.000 0.353 289 Q C -2.536 173.478 176.000 0.025 0.000 0.870 289 Q CA -1.766 54.022 55.803 -0.025 0.000 0.963 289 Q CB 1.060 29.795 28.738 -0.005 0.000 1.419 289 Q HN 0.540 nan 8.270 nan 0.000 0.396 290 P HA -0.009 nan 4.420 nan 0.000 0.274 290 P C -0.579 176.701 177.300 -0.033 0.000 1.231 290 P CA -0.106 63.009 63.100 0.024 0.000 0.790 290 P CB 1.119 32.659 31.700 -0.266 0.000 0.951 291 D N 1.143 121.544 120.400 0.003 0.000 2.249 291 D HA 0.079 4.720 4.640 0.001 0.000 0.246 291 D C 1.345 177.561 176.300 -0.139 0.000 1.114 291 D CA -0.445 53.465 54.000 -0.150 0.000 0.854 291 D CB 1.516 42.033 40.800 -0.471 0.000 1.132 291 D HN -0.046 nan 8.370 nan 0.000 0.461 292 V N 4.020 123.815 119.914 -0.198 0.000 2.332 292 V HA -0.179 3.942 4.120 0.001 0.000 0.248 292 V C 2.330 178.367 176.094 -0.096 0.000 1.055 292 V CA 2.077 64.263 62.300 -0.189 0.000 1.038 292 V CB -0.635 31.064 31.823 -0.206 0.000 0.651 292 V HN 0.743 nan 8.190 nan 0.000 0.450 293 G N -2.042 106.687 108.800 -0.119 0.000 2.848 293 G HA2 -0.123 3.838 3.960 0.001 0.000 0.208 293 G HA3 -0.123 3.838 3.960 0.001 0.000 0.208 293 G C 0.960 176.035 174.900 0.292 0.000 1.152 293 G CA 0.201 45.300 45.100 -0.002 0.000 0.789 293 G HN 0.595 nan 8.290 nan 0.000 0.531 294 W N -0.992 120.382 121.300 0.122 0.000 2.773 294 W HA 0.222 4.882 4.660 0.001 0.000 0.297 294 W C 2.038 178.640 176.519 0.138 0.000 1.050 294 W CA -0.510 56.918 57.345 0.138 0.000 1.467 294 W CB -1.137 28.423 29.460 0.166 0.000 0.977 294 W HN 0.271 nan 8.180 nan 0.000 0.573 295 C N -0.992 118.493 119.300 0.308 0.000 2.634 295 C HA 0.692 5.152 4.460 0.001 0.000 0.268 295 C C 1.861 177.003 174.990 0.255 0.000 1.322 295 C CA 0.944 60.128 59.018 0.275 0.000 1.737 295 C CB -0.288 27.570 27.740 0.197 0.000 1.976 295 C HN 0.418 nan 8.230 nan 0.000 0.547 296 G N -0.744 108.214 108.800 0.262 0.000 2.935 296 G HA2 0.457 4.418 3.960 0.001 0.000 0.213 296 G HA3 0.457 4.418 3.960 0.001 0.000 0.213 296 G C 0.668 175.826 174.900 0.430 0.000 0.984 296 G CA 0.572 45.923 45.100 0.419 0.000 0.790 296 G HN 2.104 nan 8.290 nan 0.000 0.538 297 G N -1.406 107.508 108.800 0.190 0.000 2.466 297 G HA2 0.150 4.111 3.960 0.001 0.000 0.316 297 G HA3 0.150 4.111 3.960 0.001 0.000 0.316 297 G C 0.729 175.629 174.900 0.001 0.000 1.270 297 G CA 0.110 45.292 45.100 0.137 0.000 0.982 297 G HN 1.094 nan 8.290 nan 0.000 0.506 298 V N 0.711 120.637 119.914 0.021 0.000 2.427 298 V HA -0.103 4.018 4.120 0.001 0.000 0.248 298 V C 3.126 179.187 176.094 -0.056 0.000 1.051 298 V CA 3.216 65.459 62.300 -0.095 0.000 1.048 298 V CB -0.857 30.749 31.823 -0.362 0.000 0.666 298 V HN 0.947 nan 8.190 nan 0.000 0.456 299 T N -0.530 114.062 114.554 0.063 0.000 2.708 299 T HA -0.216 4.135 4.350 0.001 0.000 0.266 299 T C 1.901 176.387 174.700 -0.355 0.000 1.037 299 T CA 1.776 63.863 62.100 -0.022 0.000 1.146 299 T CB -0.161 68.710 68.868 0.004 0.000 0.865 299 T HN 0.419 nan 8.240 nan 0.000 0.435 300 E N 0.746 120.643 120.200 -0.506 0.000 2.107 300 E HA 0.006 4.357 4.350 0.001 0.000 0.191 300 E C 1.871 178.266 176.600 -0.342 0.000 0.982 300 E CA 0.342 56.406 56.400 -0.561 0.000 0.809 300 E CB -0.457 28.982 29.700 -0.435 0.000 0.756 300 E HN 0.256 nan 8.360 nan 0.000 0.459 301 L N 0.108 121.162 121.223 -0.282 0.000 2.201 301 L HA -0.003 4.337 4.340 0.001 0.000 0.212 301 L C 1.804 178.592 176.870 -0.136 0.000 1.105 301 L CA 1.264 55.880 54.840 -0.373 0.000 0.775 301 L CB -0.338 41.290 42.059 -0.719 0.000 0.913 301 L HN 0.227 nan 8.230 nan 0.000 0.440 302 L N -0.862 120.380 121.223 0.033 0.000 2.017 302 L HA -0.239 4.101 4.340 0.001 0.000 0.208 302 L C 2.512 179.338 176.870 -0.074 0.000 1.073 302 L CA 1.553 56.441 54.840 0.081 0.000 0.745 302 L CB -0.470 41.583 42.059 -0.010 0.000 0.894 302 L HN 0.205 nan 8.230 nan 0.000 0.432 303 K N -0.003 120.288 120.400 -0.182 0.000 2.057 303 K HA -0.097 4.224 4.320 0.001 0.000 0.206 303 K C 2.053 178.521 176.600 -0.221 0.000 1.050 303 K CA 1.169 57.322 56.287 -0.223 0.000 0.935 303 K CB -0.173 32.127 32.500 -0.332 0.000 0.715 303 K HN 0.197 nan 8.250 nan 0.000 0.439 304 I N 0.821 121.233 120.570 -0.264 0.000 2.208 304 I HA -0.317 3.854 4.170 0.001 0.000 0.245 304 I C 2.644 178.614 176.117 -0.246 0.000 1.097 304 I CA 1.232 62.352 61.300 -0.300 0.000 1.363 304 I CB -0.273 37.435 38.000 -0.486 0.000 1.051 304 I HN 0.165 nan 8.210 nan 0.000 0.413 305 S N 0.356 115.953 115.700 -0.172 0.000 2.406 305 S HA -0.063 4.408 4.470 0.001 0.000 0.228 305 S C 2.161 176.718 174.600 -0.071 0.000 1.020 305 S CA 1.063 59.208 58.200 -0.091 0.000 0.965 305 S CB -0.145 63.099 63.200 0.073 0.000 0.798 305 S HN 0.432 nan 8.310 nan 0.000 0.488 306 A N 1.402 124.177 122.820 -0.075 0.000 1.930 306 A HA 0.102 4.423 4.320 0.001 0.000 0.217 306 A C 2.077 179.630 177.584 -0.052 0.000 1.175 306 A CA 1.351 53.347 52.037 -0.067 0.000 0.627 306 A CB -0.855 18.099 19.000 -0.077 0.000 0.815 306 A HN 0.539 nan 8.150 nan 0.000 0.443 307 L N 0.097 121.286 121.223 -0.057 0.000 1.971 307 L HA -0.197 4.143 4.340 0.001 0.000 0.215 307 L C 2.749 179.664 176.870 0.076 0.000 1.072 307 L CA 2.489 57.334 54.840 0.008 0.000 0.758 307 L CB -0.858 41.186 42.059 -0.026 0.000 0.889 307 L HN 0.358 nan 8.230 nan 0.000 0.433 308 A N -1.349 121.470 122.820 -0.002 0.000 2.019 308 A HA -0.225 4.095 4.320 0.001 0.000 0.219 308 A C 2.002 179.595 177.584 0.014 0.000 1.164 308 A CA 1.795 53.833 52.037 0.002 0.000 0.644 308 A CB -0.795 18.156 19.000 -0.082 0.000 0.805 308 A HN 0.583 nan 8.150 nan 0.000 0.449 309 D N 0.147 120.537 120.400 -0.016 0.000 2.097 309 D HA -0.091 4.549 4.640 0.001 0.000 0.195 309 D C 2.241 178.525 176.300 -0.027 0.000 0.989 309 D CA 1.595 55.578 54.000 -0.029 0.000 0.827 309 D CB -0.359 40.415 40.800 -0.044 0.000 0.966 309 D HN 0.426 nan 8.370 nan 0.000 0.456 310 A N 0.023 122.825 122.820 -0.030 0.000 2.015 310 A HA -0.172 4.149 4.320 0.001 0.000 0.219 310 A C 1.542 179.031 177.584 -0.157 0.000 1.163 310 A CA 1.309 53.290 52.037 -0.094 0.000 0.646 310 A CB -0.714 18.215 19.000 -0.120 0.000 0.806 310 A HN 0.295 nan 8.150 nan 0.000 0.448 311 H N -0.163 118.881 119.070 -0.043 0.000 2.539 311 H HA 0.135 4.692 4.556 0.001 0.000 0.269 311 H C 0.150 175.455 175.328 -0.038 0.000 0.980 311 H CA 0.305 56.331 56.048 -0.037 0.000 1.152 311 H CB 0.047 29.787 29.762 -0.036 0.000 1.407 311 H HN 0.470 nan 8.280 nan 0.000 0.564 312 N N -0.112 118.610 118.700 0.036 0.000 2.708 312 N HA -0.188 4.553 4.740 0.001 0.000 0.249 312 N C -0.395 175.118 175.510 0.004 0.000 1.097 312 N CA 0.738 53.792 53.050 0.007 0.000 0.710 312 N CB -1.121 37.364 38.487 -0.003 0.000 1.032 312 N HN 0.413 nan 8.380 nan 0.000 0.551 313 A N 0.327 123.150 122.820 0.005 0.000 2.306 313 A HA 0.658 4.978 4.320 0.001 0.000 0.314 313 A C 0.694 178.234 177.584 -0.073 0.000 1.164 313 A CA -0.567 51.450 52.037 -0.033 0.000 0.822 313 A CB 0.864 19.843 19.000 -0.036 0.000 1.130 313 A HN 0.256 nan 8.150 nan 0.000 0.496 314 L N 1.817 122.977 121.223 -0.106 0.000 2.426 314 L HA 0.300 4.640 4.340 0.001 0.000 0.271 314 L C -0.535 176.230 176.870 -0.175 0.000 1.169 314 L CA -0.386 54.361 54.840 -0.156 0.000 0.836 314 L CB 0.961 42.898 42.059 -0.204 0.000 1.112 314 L HN 0.406 nan 8.230 nan 0.000 0.465 315 V N 4.059 123.865 119.914 -0.179 0.000 2.378 315 V HA 0.279 4.400 4.120 0.001 0.000 0.288 315 V C -0.049 175.936 176.094 -0.182 0.000 1.016 315 V CA -0.524 61.667 62.300 -0.182 0.000 0.840 315 V CB 1.762 33.486 31.823 -0.164 0.000 0.994 315 V HN 0.444 nan 8.190 nan 0.000 0.431 316 V N 7.373 127.188 119.914 -0.164 0.000 2.289 316 V HA 0.326 4.447 4.120 0.001 0.000 0.272 316 V C -2.378 173.718 176.094 0.004 0.000 1.026 316 V CA -1.824 60.430 62.300 -0.077 0.000 0.807 316 V CB 1.356 33.176 31.823 -0.005 0.000 1.044 316 V HN 0.690 nan 8.190 nan 0.000 0.443 317 P HA 0.007 nan 4.420 nan 0.000 0.267 317 P C 0.044 177.376 177.300 0.053 0.000 1.200 317 P CA 0.039 63.112 63.100 -0.044 0.000 0.772 317 P CB 0.276 31.904 31.700 -0.120 0.000 0.855 318 H N 2.367 121.392 119.070 -0.075 0.000 3.026 318 H HA 0.066 4.623 4.556 0.001 0.000 0.289 318 H C 0.718 175.977 175.328 -0.115 0.000 1.022 318 H CA -0.376 55.621 56.048 -0.086 0.000 1.477 318 H CB 0.037 29.684 29.762 -0.191 0.000 1.510 318 H HN 0.585 nan 8.280 nan 0.000 0.535 319 G N 4.069 112.686 108.800 -0.304 0.000 2.215 319 G HA2 -0.100 3.860 3.960 0.001 0.000 0.266 319 G HA3 -0.100 3.860 3.960 0.001 0.000 0.266 319 G C 0.043 174.743 174.900 -0.333 0.000 0.831 319 G CA 0.428 45.374 45.100 -0.257 0.000 1.010 319 G HN 0.665 nan 8.290 nan 0.000 0.346 320 S N 1.714 117.236 115.700 -0.297 0.000 2.740 320 S HA 0.542 5.012 4.470 0.001 0.000 0.244 320 S C 0.563 174.743 174.600 -0.701 0.000 1.101 320 S CA 0.285 58.334 58.200 -0.251 0.000 1.123 320 S CB 0.436 63.598 63.200 -0.063 0.000 1.012 320 S HN 1.418 nan 8.310 nan 0.000 0.491 321 S N 1.701 116.809 115.700 -0.985 0.000 3.961 321 S HA -0.296 4.175 4.470 0.001 0.000 0.627 321 S C 1.457 175.164 174.600 -1.489 0.000 2.148 321 S CA 1.849 59.299 58.200 -1.250 0.000 4.099 321 S CB -1.550 60.742 63.200 -1.513 0.000 0.219 321 S HN 1.439 nan 8.310 nan 0.000 0.744 322 V N 0.102 119.394 119.914 -1.035 0.000 2.667 322 V HA 0.035 4.155 4.120 0.001 0.000 0.252 322 V C 1.953 177.860 176.094 -0.311 0.000 1.065 322 V CA 2.359 64.353 62.300 -0.510 0.000 1.083 322 V CB -1.504 30.209 31.823 -0.183 0.000 0.692 322 V HN 0.728 nan 8.190 nan 0.000 0.468 323 Y N 1.573 121.617 120.300 -0.428 0.000 2.274 323 Y HA -0.039 4.512 4.550 0.001 0.000 0.290 323 Y C 2.896 178.692 175.900 -0.174 0.000 1.145 323 Y CA 1.203 59.003 58.100 -0.500 0.000 1.203 323 Y CB -1.092 37.007 38.460 -0.603 0.000 0.984 323 Y HN 0.234 nan 8.280 nan 0.000 0.533 324 S N -1.112 114.479 115.700 -0.182 0.000 2.362 324 S HA -0.110 4.360 4.470 0.001 0.000 0.221 324 S C 1.657 176.314 174.600 0.096 0.000 1.032 324 S CA 0.925 59.068 58.200 -0.095 0.000 0.973 324 S CB -0.447 62.639 63.200 -0.191 0.000 0.849 324 S HN 0.401 nan 8.310 nan 0.000 0.465 325 Y N 1.398 121.767 120.300 0.114 0.000 2.200 325 Y HA -0.041 4.510 4.550 0.001 0.000 0.290 325 Y C 2.555 178.482 175.900 0.045 0.000 1.137 325 Y CA 0.526 58.668 58.100 0.070 0.000 1.163 325 Y CB -1.216 37.257 38.460 0.023 0.000 0.988 325 Y HN 0.387 nan 8.280 nan 0.000 0.518 326 H N -1.654 117.610 119.070 0.323 0.000 2.387 326 H HA -0.160 4.396 4.556 0.001 0.000 0.299 326 H C 2.119 177.560 175.328 0.187 0.000 1.090 326 H CA 1.627 57.838 56.048 0.272 0.000 1.332 326 H CB -0.596 29.368 29.762 0.336 0.000 1.386 326 H HN 0.343 nan 8.280 nan 0.000 0.516 327 F N 1.184 121.251 119.950 0.196 0.000 2.060 327 F HA -0.198 4.329 4.527 0.001 0.000 0.295 327 F C 2.601 178.399 175.800 -0.004 0.000 1.120 327 F CA 1.607 59.634 58.000 0.045 0.000 1.205 327 F CB -0.375 38.622 39.000 -0.005 0.000 0.986 327 F HN -0.021 nan 8.300 nan 0.000 0.470 328 V N -1.031 119.030 119.914 0.246 0.000 2.970 328 V HA 0.040 4.161 4.120 0.001 0.000 0.260 328 V C 2.193 178.276 176.094 -0.018 0.000 1.100 328 V CA 1.167 63.532 62.300 0.107 0.000 1.122 328 V CB -1.541 30.328 31.823 0.077 0.000 0.721 328 V HN 0.337 nan 8.190 nan 0.000 0.483 329 A N 1.931 124.733 122.820 -0.030 0.000 1.986 329 A HA -0.220 4.101 4.320 0.001 0.000 0.220 329 A C 2.422 179.943 177.584 -0.105 0.000 1.171 329 A CA 2.827 54.806 52.037 -0.096 0.000 0.640 329 A CB -1.171 17.736 19.000 -0.156 0.000 0.811 329 A HN 0.913 nan 8.150 nan 0.000 0.451 330 T N -3.703 110.771 114.554 -0.134 0.000 3.086 330 T HA 0.233 4.584 4.350 0.001 0.000 0.250 330 T C 0.573 175.158 174.700 -0.191 0.000 1.074 330 T CA -0.409 61.588 62.100 -0.173 0.000 0.988 330 T CB 0.049 68.768 68.868 -0.248 0.000 0.988 330 T HN 0.204 nan 8.240 nan 0.000 0.530 331 R N 1.742 122.146 120.500 -0.160 0.000 2.338 331 R HA 0.423 4.763 4.340 0.001 0.000 0.317 331 R C 0.794 177.039 176.300 -0.091 0.000 0.968 331 R CA -0.641 55.383 56.100 -0.127 0.000 0.849 331 R CB 1.346 31.598 30.300 -0.080 0.000 1.128 331 R HN 0.194 nan 8.270 nan 0.000 0.448 332 Q N 1.401 121.152 119.800 -0.083 0.000 2.167 332 Q HA -0.113 4.228 4.340 0.001 0.000 0.202 332 Q C 0.827 176.785 176.000 -0.069 0.000 0.970 332 Q CA 1.400 57.163 55.803 -0.066 0.000 0.855 332 Q CB 0.106 28.809 28.738 -0.057 0.000 0.911 332 Q HN 0.555 nan 8.270 nan 0.000 0.438 333 N N -0.452 118.202 118.700 -0.077 0.000 2.362 333 N HA -0.019 4.721 4.740 0.001 0.000 0.204 333 N C -0.577 174.850 175.510 -0.138 0.000 1.166 333 N CA -0.018 52.977 53.050 -0.093 0.000 0.831 333 N CB 0.302 38.740 38.487 -0.081 0.000 1.008 333 N HN -0.209 nan 8.380 nan 0.000 0.472 334 S N 1.353 116.971 115.700 -0.137 0.000 2.130 334 S HA 0.277 4.747 4.470 0.001 0.000 0.165 334 S C -2.032 172.450 174.600 -0.197 0.000 1.677 334 S CA -0.826 57.256 58.200 -0.197 0.000 1.227 334 S CB 1.749 64.882 63.200 -0.111 0.000 1.115 334 S HN 0.226 nan 8.310 nan 0.000 0.452 335 P HA 0.105 nan 4.420 nan 0.000 0.236 335 P C -0.072 177.278 177.300 0.084 0.000 1.177 335 P CA 0.511 63.579 63.100 -0.055 0.000 0.773 335 P CB -0.174 31.557 31.700 0.052 0.000 0.878 336 F N -1.870 118.133 119.950 0.089 0.000 2.685 336 F HA 0.840 5.367 4.527 0.001 0.000 0.315 336 F C -1.244 174.587 175.800 0.051 0.000 1.126 336 F CA -1.955 56.094 58.000 0.082 0.000 0.950 336 F CB 0.644 39.814 39.000 0.284 0.000 1.360 336 F HN -0.141 nan 8.300 nan 0.000 0.469 337 A N 0.093 123.019 122.820 0.177 0.000 2.479 337 A HA 0.657 4.978 4.320 0.001 0.000 0.296 337 A C -1.485 176.151 177.584 0.086 0.000 1.121 337 A CA -0.788 51.258 52.037 0.014 0.000 0.743 337 A CB 1.713 20.479 19.000 -0.390 0.000 1.323 337 A HN 0.910 nan 8.150 nan 0.000 0.415 338 E N 0.285 120.524 120.200 0.065 0.000 2.227 338 E HA 0.479 4.830 4.350 0.001 0.000 0.282 338 E C -1.857 174.928 176.600 0.308 0.000 1.015 338 E CA -0.301 55.960 56.400 -0.231 0.000 0.823 338 E CB 0.768 30.417 29.700 -0.085 0.000 1.081 338 E HN 0.441 nan 8.360 nan 0.000 0.396 339 F N 6.542 126.529 119.950 0.062 0.000 2.427 339 F HA 0.271 4.799 4.527 0.001 0.000 0.348 339 F C -0.815 174.977 175.800 -0.014 0.000 1.125 339 F CA -0.938 57.107 58.000 0.075 0.000 0.989 339 F CB 0.542 39.556 39.000 0.024 0.000 1.165 339 F HN 0.377 nan 8.300 nan 0.000 0.442 344 P HA -0.212 nan 4.420 nan 0.000 0.218 344 P C 0.903 178.200 177.300 -0.004 0.000 1.152 344 P CA 1.719 64.464 63.100 -0.591 0.000 0.857 344 P CB 0.267 31.764 31.700 -0.338 0.000 0.787 345 K N -2.432 118.009 120.400 0.070 0.000 2.387 345 K HA 0.421 4.741 4.320 0.001 0.000 0.203 345 K C 0.596 177.232 176.600 0.060 0.000 1.030 345 K CA 0.321 56.666 56.287 0.097 0.000 1.099 345 K CB 0.463 32.987 32.500 0.040 0.000 0.863 345 K HN -0.056 nan 8.250 nan 0.000 0.529 346 A N 3.224 126.094 122.820 0.083 0.000 2.745 346 A HA -0.187 4.133 4.320 0.001 0.000 0.296 346 A C 0.838 178.412 177.584 -0.016 0.000 1.500 346 A CA 1.490 53.508 52.037 -0.031 0.000 0.766 346 A CB -1.827 16.970 19.000 -0.338 0.000 1.030 346 A HN 0.640 nan 8.150 nan 0.000 0.489 347 D N -1.442 118.974 120.400 0.026 0.000 2.407 347 D HA 0.125 4.765 4.640 0.001 0.000 0.208 347 D C 0.464 176.790 176.300 0.044 0.000 1.083 347 D CA 0.937 54.950 54.000 0.022 0.000 0.844 347 D CB 0.041 40.851 40.800 0.016 0.000 0.967 347 D HN 0.990 nan 8.370 nan 0.000 0.506 348 Q N -0.367 119.475 119.800 0.070 0.000 2.426 348 Q HA 0.474 4.815 4.340 0.001 0.000 0.278 348 Q C -1.334 174.751 176.000 0.142 0.000 1.007 348 Q CA -1.050 54.803 55.803 0.084 0.000 0.850 348 Q CB 2.009 30.777 28.738 0.051 0.000 1.427 348 Q HN -0.188 nan 8.270 nan 0.000 0.391 349 V N 2.036 122.049 119.914 0.165 0.000 2.446 349 V HA 0.252 4.373 4.120 0.001 0.000 0.276 349 V C -0.333 175.879 176.094 0.196 0.000 1.030 349 V CA -0.053 62.394 62.300 0.245 0.000 1.033 349 V CB 0.703 32.607 31.823 0.135 0.000 0.993 349 V HN 0.594 nan 8.190 nan 0.000 0.477 350 V N 7.226 127.314 119.914 0.289 0.000 2.638 350 V HA 0.418 4.538 4.120 0.001 0.000 0.306 350 V C -1.952 174.326 176.094 0.307 0.000 1.052 350 V CA -1.632 60.778 62.300 0.182 0.000 0.885 350 V CB 2.144 34.013 31.823 0.077 0.000 0.999 350 V HN 0.719 nan 8.190 nan 0.000 0.424 354 H N 4.386 123.588 119.070 0.219 0.000 3.115 354 H HA 0.126 4.682 4.556 0.001 0.000 0.324 354 H C -1.554 173.829 175.328 0.092 0.000 1.007 354 H CA 0.216 56.349 56.048 0.142 0.000 1.385 354 H CB 1.086 30.928 29.762 0.133 0.000 1.351 354 H HN -0.105 nan 8.280 nan 0.000 0.592 355 P HA 0.021 nan 4.420 nan 0.000 0.261 355 P C 0.065 177.234 177.300 -0.218 0.000 1.352 355 P CA 0.367 63.072 63.100 -0.659 0.000 0.891 355 P CB 0.393 31.753 31.700 -0.568 0.000 1.383 356 Q N -0.744 119.024 119.800 -0.053 0.000 2.311 356 Q HA 0.063 4.404 4.340 0.001 0.000 0.203 356 Q C 0.047 176.105 176.000 0.098 0.000 0.954 356 Q CA 0.540 56.355 55.803 0.020 0.000 0.885 356 Q CB 0.070 28.838 28.738 0.050 0.000 0.963 356 Q HN 0.217 nan 8.270 nan 0.000 0.471 357 L N 1.236 122.545 121.223 0.144 0.000 2.325 357 L HA 0.349 4.689 4.340 0.001 0.000 0.281 357 L C -0.884 176.081 176.870 0.158 0.000 1.004 357 L CA -0.209 54.760 54.840 0.215 0.000 0.823 357 L CB 1.583 43.804 42.059 0.270 0.000 1.236 357 L HN 0.027 nan 8.230 nan 0.000 0.415 358 L N 3.636 124.947 121.223 0.148 0.000 2.312 358 L HA 0.544 4.885 4.340 0.001 0.000 0.281 358 L C 1.215 178.168 176.870 0.137 0.000 1.070 358 L CA -0.360 54.551 54.840 0.117 0.000 0.805 358 L CB 1.113 43.220 42.059 0.080 0.000 1.174 358 L HN 0.853 nan 8.230 nan 0.000 0.434 359 G N 1.592 110.463 108.800 0.117 0.000 2.143 359 G HA2 -0.300 3.661 3.960 0.001 0.000 0.248 359 G HA3 -0.300 3.661 3.960 0.001 0.000 0.248 359 G C 0.199 175.171 174.900 0.120 0.000 0.991 359 G CA 0.356 45.523 45.100 0.111 0.000 0.689 359 G HN 0.787 nan 8.290 nan 0.000 0.522 360 E N 1.578 121.857 120.200 0.131 0.000 2.366 360 E HA 0.392 4.743 4.350 0.001 0.000 0.266 360 E C -1.319 175.342 176.600 0.102 0.000 1.015 360 E CA -1.209 55.270 56.400 0.131 0.000 0.906 360 E CB 0.665 30.455 29.700 0.149 0.000 0.979 360 E HN 0.285 nan 8.360 nan 0.000 0.443 361 P HA 0.114 nan 4.420 nan 0.000 0.279 361 P C -0.855 176.395 177.300 -0.084 0.000 1.252 361 P CA -0.520 62.571 63.100 -0.015 0.000 0.811 361 P CB 1.223 32.890 31.700 -0.054 0.000 1.035 362 V N -2.417 117.373 119.914 -0.207 0.000 3.001 362 V HA 0.649 4.769 4.120 0.001 0.000 0.314 362 V C -2.830 172.900 176.094 -0.606 0.000 1.099 362 V CA -3.119 58.945 62.300 -0.394 0.000 0.989 362 V CB 1.091 32.766 31.823 -0.246 0.000 1.040 362 V HN 0.287 nan 8.190 nan 0.000 0.434 363 P HA 0.385 nan 4.420 nan 0.000 0.268 363 P C -1.131 175.823 177.300 -0.577 0.000 1.204 363 P CA 0.399 62.977 63.100 -0.870 0.000 0.768 363 P CB 0.240 31.218 31.700 -1.203 0.000 0.842 364 E N 1.978 121.922 120.200 -0.426 0.000 2.246 364 E HA 0.323 4.674 4.350 0.001 0.000 0.266 364 E C -0.215 176.198 176.600 -0.311 0.000 0.880 364 E CA -0.680 55.527 56.400 -0.322 0.000 0.762 364 E CB 0.722 30.295 29.700 -0.212 0.000 1.180 364 E HN 0.218 nan 8.360 nan 0.000 0.416 365 N N 2.247 120.759 118.700 -0.314 0.000 2.714 365 N HA -0.261 4.480 4.740 0.001 0.000 0.250 365 N C 0.789 176.068 175.510 -0.385 0.000 1.117 365 N CA 1.796 54.672 53.050 -0.289 0.000 0.719 365 N CB -0.947 37.430 38.487 -0.182 0.000 1.081 365 N HN 0.967 nan 8.380 nan 0.000 0.557 366 G N -2.211 106.177 108.800 -0.687 0.000 2.205 366 G HA2 -0.383 3.578 3.960 0.001 0.000 0.261 366 G HA3 -0.383 3.578 3.960 0.001 0.000 0.261 366 G C 0.446 175.189 174.900 -0.260 0.000 0.980 366 G CA 0.915 45.553 45.100 -0.769 0.000 0.632 366 G HN 0.645 nan 8.290 nan 0.000 0.533 370 L N 1.326 122.479 121.223 -0.117 0.000 2.456 370 L HA -0.043 4.297 4.340 0.001 0.000 0.224 370 L C 1.624 178.437 176.870 -0.094 0.000 1.148 370 L CA 1.555 56.297 54.840 -0.163 0.000 0.825 370 L CB -0.678 41.261 42.059 -0.200 0.000 0.937 370 L HN 0.557 nan 8.230 nan 0.000 0.450 371 S N -0.231 115.437 115.700 -0.052 0.000 2.399 371 S HA -0.124 4.347 4.470 0.001 0.000 0.231 371 S C 1.823 176.421 174.600 -0.003 0.000 1.022 371 S CA 0.776 58.968 58.200 -0.014 0.000 0.983 371 S CB -0.083 63.106 63.200 -0.018 0.000 0.803 371 S HN 0.454 nan 8.310 nan 0.000 0.480 372 R N 0.943 121.425 120.500 -0.030 0.000 2.235 372 R HA 0.119 4.459 4.340 0.001 0.000 0.213 372 R C 0.189 176.494 176.300 0.008 0.000 1.059 372 R CA 0.423 56.510 56.100 -0.021 0.000 0.997 372 R CB -0.699 29.566 30.300 -0.058 0.000 0.884 372 R HN 0.406 nan 8.270 nan 0.000 0.462 373 L N 3.067 124.293 121.223 0.004 0.000 2.353 373 L HA 0.194 4.535 4.340 0.001 0.000 0.269 373 L C 0.116 177.131 176.870 0.241 0.000 1.085 373 L CA -0.338 54.552 54.840 0.083 0.000 0.938 373 L CB 0.809 42.803 42.059 -0.108 0.000 1.312 373 L HN 0.024 nan 8.230 nan 0.000 0.429 374 D N -0.299 120.216 120.400 0.192 0.000 2.516 374 D HA 0.012 4.652 4.640 0.001 0.000 0.241 374 D C 0.304 176.671 176.300 0.113 0.000 1.246 374 D CA -0.191 53.903 54.000 0.156 0.000 0.808 374 D CB 0.371 41.231 40.800 0.100 0.000 1.147 374 D HN 0.351 nan 8.370 nan 0.000 0.527 375 Q N 1.152 121.031 119.800 0.132 0.000 2.230 375 Q HA 0.425 4.766 4.340 0.001 0.000 0.248 375 Q C -2.460 173.584 176.000 0.073 0.000 0.915 375 Q CA -1.857 54.006 55.803 0.101 0.000 0.900 375 Q CB 1.382 30.191 28.738 0.118 0.000 1.229 375 Q HN -0.053 nan 8.270 nan 0.000 0.439 376 P HA -0.134 nan 4.420 nan 0.000 0.264 376 P C 0.369 177.660 177.300 -0.015 0.000 1.179 376 P CA 1.256 64.358 63.100 0.003 0.000 0.763 376 P CB 0.307 32.022 31.700 0.024 0.000 0.806 377 G N 2.208 110.942 108.800 -0.111 0.000 2.566 377 G HA2 -0.336 3.625 3.960 0.001 0.000 0.280 377 G HA3 -0.336 3.625 3.960 0.001 0.000 0.280 377 G C 0.472 175.126 174.900 -0.411 0.000 1.225 377 G CA 0.091 45.063 45.100 -0.214 0.000 0.966 377 G HN 0.388 nan 8.290 nan 0.000 0.560 378 F N 2.340 122.229 119.950 -0.102 0.000 2.710 378 F HA 0.368 4.895 4.527 0.001 0.000 0.298 378 F C 2.334 178.198 175.800 0.106 0.000 1.137 378 F CA 1.700 59.630 58.000 -0.117 0.000 1.444 378 F CB 0.139 39.116 39.000 -0.038 0.000 1.111 378 F HN 1.723 nan 8.300 nan 0.000 0.580 379 G N 0.791 109.730 108.800 0.231 0.000 2.142 379 G HA2 -0.116 3.845 3.960 0.001 0.000 0.225 379 G HA3 -0.116 3.845 3.960 0.001 0.000 0.225 379 G C -0.185 174.849 174.900 0.224 0.000 1.015 379 G CA 0.023 45.256 45.100 0.222 0.000 0.716 379 G HN 0.532 nan 8.290 nan 0.000 0.508 380 V N -2.707 117.363 119.914 0.261 0.000 3.040 380 V HA 1.004 5.125 4.120 0.001 0.000 0.312 380 V C 0.111 176.479 176.094 0.457 0.000 1.115 380 V CA -0.076 62.403 62.300 0.298 0.000 0.998 380 V CB 1.900 33.885 31.823 0.271 0.000 1.042 380 V HN 1.292 nan 8.190 nan 0.000 0.433 381 T N 0.368 115.138 114.554 0.359 0.000 2.908 381 T HA 0.724 5.075 4.350 0.001 0.000 0.290 381 T C -0.632 174.092 174.700 0.041 0.000 1.034 381 T CA -0.644 61.596 62.100 0.234 0.000 1.010 381 T CB 1.678 70.598 68.868 0.087 0.000 1.068 381 T HN 1.016 nan 8.240 nan 0.000 0.481 382 L N 2.579 123.501 121.223 -0.501 0.000 2.416 382 L HA 0.379 4.720 4.340 0.001 0.000 0.272 382 L C 0.386 177.134 176.870 -0.203 0.000 1.161 382 L CA -0.067 54.501 54.840 -0.453 0.000 0.845 382 L CB 0.187 41.771 42.059 -0.792 0.000 1.119 382 L HN 0.767 nan 8.230 nan 0.000 0.464 383 N N 5.505 124.139 118.700 -0.110 0.000 2.452 383 N HA 0.131 4.872 4.740 0.001 0.000 0.266 383 N C -1.853 173.593 175.510 -0.108 0.000 1.209 383 N CA -1.464 51.537 53.050 -0.082 0.000 0.929 383 N CB 1.161 39.610 38.487 -0.063 0.000 1.063 383 N HN 0.407 nan 8.380 nan 0.000 0.472 384 P HA -0.078 nan 4.420 nan 0.000 0.220 384 P C 0.667 177.921 177.300 -0.076 0.000 1.148 384 P CA 0.982 64.027 63.100 -0.092 0.000 0.803 384 P CB 0.370 32.029 31.700 -0.068 0.000 0.782 385 E N -0.729 119.434 120.200 -0.061 0.000 2.110 385 E HA -0.118 4.232 4.350 0.001 0.000 0.193 385 E C 0.461 177.028 176.600 -0.054 0.000 0.988 385 E CA 0.660 57.030 56.400 -0.050 0.000 0.804 385 E CB -0.929 28.746 29.700 -0.041 0.000 0.745 385 E HN 0.241 nan 8.360 nan 0.000 0.458 386 C N 2.409 121.669 119.300 -0.066 0.000 2.629 386 C HA 0.124 4.584 4.460 0.001 0.000 0.410 386 C C 0.714 175.666 174.990 -0.064 0.000 1.339 386 C CA -0.514 58.468 59.018 -0.060 0.000 1.810 386 C CB -0.530 27.173 27.740 -0.062 0.000 2.549 386 C HN 0.276 nan 8.230 nan 0.000 0.589 387 Q N 2.234 122.010 119.800 -0.041 0.000 2.324 387 Q HA 0.384 4.724 4.340 0.001 0.000 0.257 387 Q C -0.631 175.362 176.000 -0.012 0.000 1.080 387 Q CA 0.121 55.905 55.803 -0.032 0.000 0.907 387 Q CB 0.345 29.072 28.738 -0.019 0.000 1.274 387 Q HN 0.501 nan 8.270 nan 0.000 0.434 388 L N 3.270 124.462 121.223 -0.051 0.000 2.281 388 L HA 0.234 4.574 4.340 0.001 0.000 0.285 388 L C -0.352 176.592 176.870 0.123 0.000 1.074 388 L CA 0.219 55.029 54.840 -0.051 0.000 0.817 388 L CB 0.723 42.555 42.059 -0.379 0.000 1.168 388 L HN 0.595 nan 8.230 nan 0.000 0.434 389 H N 4.508 123.649 119.070 0.119 0.000 2.587 389 H HA 0.370 4.927 4.556 0.001 0.000 0.325 389 H C -0.591 174.883 175.328 0.243 0.000 1.012 389 H CA -0.971 55.159 56.048 0.137 0.000 1.213 389 H CB 0.979 30.782 29.762 0.068 0.000 1.431 389 H HN 0.574 nan 8.280 nan 0.000 0.492 390 R N 6.523 127.007 120.500 -0.027 0.000 2.280 390 R HA 0.235 4.576 4.340 0.001 0.000 0.326 390 R C -2.061 173.958 176.300 -0.468 0.000 1.080 390 R CA -1.538 54.468 56.100 -0.157 0.000 1.002 390 R CB 0.674 30.990 30.300 0.026 0.000 1.136 390 R HN 0.499 nan 8.270 nan 0.000 0.509 391 P HA 0.036 nan 4.420 nan 0.000 0.231 391 P C -1.041 175.798 177.300 -0.769 0.000 1.168 391 P CA 0.687 63.315 63.100 -0.788 0.000 0.779 391 P CB 0.293 31.498 31.700 -0.825 0.000 0.844 392 Y N -1.120 119.115 120.300 -0.108 0.000 2.524 392 Y HA 0.502 5.053 4.550 0.001 0.000 0.347 392 Y C 0.755 176.606 175.900 -0.081 0.000 1.005 392 Y CA -0.836 57.221 58.100 -0.071 0.000 1.025 392 Y CB 1.514 39.931 38.460 -0.072 0.000 1.275 392 Y HN -0.287 nan 8.280 nan 0.000 0.460 393 T N -1.855 112.754 114.554 0.091 0.000 2.858 393 T HA 0.706 5.057 4.350 0.001 0.000 0.285 393 T C -0.889 173.837 174.700 0.044 0.000 1.052 393 T CA -0.779 61.320 62.100 -0.002 0.000 1.009 393 T CB 2.147 70.961 68.868 -0.090 0.000 1.241 393 T HN 0.805 nan 8.240 nan 0.000 0.542 394 H N 0.000 119.035 119.070 -0.058 0.000 2.539 394 H HA 0.000 4.557 4.556 0.001 0.000 0.296 394 H CA 0.000 56.003 56.048 -0.075 0.000 1.023 394 H CB 0.000 29.701 29.762 -0.101 0.000 1.292 394 H HN 0.000 nan 8.280 nan 0.000 0.496