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 3m6y_1_C DATA FIRST_RESID 3 DATA SEQUENCE NIQKRFYKGR VALNVLANNI ENAKDIFEAA EGYVVVGVLS KDYPTVEEAV DATA SEQUENCE TAXKAYGKEI DDAVSIGLGA GDNRQAAVVA EIAKHYPGSH INQVFPSVGA DATA SEQUENCE TRANLGEKDS WINSLVSPTG KVGYVNISTG PISAAGEEKA IVPIKTAIAL DATA SEQUENCE VRDXGGNSLK YFPXKGLAHE EEYRAVAKAC AEEGFALEPT GGIDKENFET DATA SEQUENCE IVRIALEANV EQVIPHVYSS IIDKETGNTK VEAVRELLAV VKKLVDQY 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.551 175.510 0.068 0.000 1.280 3 N CA 0.000 53.086 53.050 0.061 0.000 0.885 3 N CB 0.000 38.535 38.487 0.080 0.000 1.341 4 I N 0.473 121.090 120.570 0.078 0.000 2.676 4 I HA -0.134 4.036 4.170 -0.000 0.000 0.259 4 I C 1.462 177.652 176.117 0.121 0.000 1.194 4 I CA 0.961 62.273 61.300 0.020 0.000 1.473 4 I CB -0.009 37.946 38.000 -0.075 0.000 1.096 4 I HN 0.395 nan 8.210 nan 0.000 0.443 5 Q N 0.785 120.705 119.800 0.199 0.000 2.291 5 Q HA -0.185 4.155 4.340 -0.000 0.000 0.206 5 Q C 1.868 178.022 176.000 0.256 0.000 0.976 5 Q CA 0.966 56.934 55.803 0.276 0.000 0.875 5 Q CB -0.263 28.573 28.738 0.163 0.000 0.927 5 Q HN 0.399 nan 8.270 nan 0.000 0.450 6 K N 0.368 120.863 120.400 0.158 0.000 2.362 6 K HA -0.038 4.282 4.320 -0.000 0.000 0.200 6 K C 1.587 178.264 176.600 0.128 0.000 1.046 6 K CA 0.553 56.915 56.287 0.126 0.000 0.952 6 K CB 0.167 32.714 32.500 0.077 0.000 0.753 6 K HN 0.111 nan 8.250 nan 0.000 0.466 7 R N -0.304 120.250 120.500 0.089 0.000 2.300 7 R HA 0.144 4.483 4.340 -0.000 0.000 0.199 7 R C 0.189 176.525 176.300 0.058 0.000 0.920 7 R CA -0.028 56.071 56.100 -0.003 0.000 1.046 7 R CB -0.141 30.041 30.300 -0.196 0.000 0.984 7 R HN 0.046 nan 8.270 nan 0.000 0.493 8 F N 0.869 120.914 119.950 0.160 0.000 2.411 8 F HA 0.137 4.664 4.527 -0.000 0.000 0.355 8 F C 0.582 176.437 175.800 0.091 0.000 1.117 8 F CA -1.332 56.729 58.000 0.102 0.000 1.139 8 F CB 0.358 39.361 39.000 0.005 0.000 1.120 8 F HN -0.066 nan 8.300 nan 0.000 0.493 9 Y N 5.295 125.536 120.300 -0.097 0.000 2.569 9 Y HA 0.078 4.627 4.550 -0.000 0.000 0.332 9 Y C 0.886 176.686 175.900 -0.167 0.000 1.120 9 Y CA -0.685 57.070 58.100 -0.575 0.000 1.416 9 Y CB 0.104 38.113 38.460 -0.751 0.000 1.210 9 Y HN 0.708 nan 8.280 nan 0.000 0.528 10 K N 4.455 124.440 120.400 -0.692 0.000 3.016 10 K HA -0.263 4.057 4.320 -0.000 0.000 0.262 10 K C 0.937 177.436 176.600 -0.168 0.000 1.043 10 K CA 0.792 56.806 56.287 -0.455 0.000 0.761 10 K CB -1.818 30.323 32.500 -0.600 0.000 1.230 10 K HN 1.292 nan 8.250 nan 0.000 0.485 11 G N -0.348 108.425 108.800 -0.045 0.000 2.184 11 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.264 11 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.264 11 G C 0.820 175.660 174.900 -0.100 0.000 0.975 11 G CA 0.732 45.808 45.100 -0.040 0.000 0.642 11 G HN 0.306 nan 8.290 nan 0.000 0.536 12 R N -1.096 119.429 120.500 0.042 0.000 2.194 12 R HA 0.413 4.752 4.340 -0.000 0.000 0.194 12 R C 0.549 177.020 176.300 0.285 0.000 0.985 12 R CA 1.063 57.207 56.100 0.073 0.000 1.104 12 R CB 0.309 30.645 30.300 0.060 0.000 1.092 12 R HN 0.522 nan 8.270 nan 0.000 0.555 13 V N 1.094 121.234 119.914 0.377 0.000 2.623 13 V HA 0.665 4.785 4.120 -0.000 0.000 0.304 13 V C -0.953 175.241 176.094 0.167 0.000 1.054 13 V CA -1.250 61.238 62.300 0.314 0.000 0.882 13 V CB 1.802 33.734 31.823 0.182 0.000 1.002 13 V HN 0.254 nan 8.190 nan 0.000 0.424 14 A N 5.392 128.144 122.820 -0.114 0.000 2.331 14 A HA 0.884 5.204 4.320 -0.000 0.000 0.320 14 A C -0.668 176.795 177.584 -0.201 0.000 1.138 14 A CA -0.573 51.247 52.037 -0.363 0.000 0.790 14 A CB 0.902 19.266 19.000 -1.061 0.000 1.206 14 A HN 0.818 nan 8.150 nan 0.000 0.470 15 L N 2.032 123.190 121.223 -0.109 0.000 2.436 15 L HA 0.302 4.642 4.340 -0.000 0.000 0.265 15 L C 0.407 177.155 176.870 -0.204 0.000 1.168 15 L CA -0.496 54.299 54.840 -0.076 0.000 0.815 15 L CB 0.569 42.605 42.059 -0.037 0.000 1.109 15 L HN 0.748 nan 8.230 nan 0.000 0.462 16 N N 1.768 120.326 118.700 -0.237 0.000 2.448 16 N HA 0.515 5.255 4.740 -0.000 0.000 0.279 16 N C -1.353 174.085 175.510 -0.121 0.000 1.025 16 N CA -0.279 52.563 53.050 -0.346 0.000 0.898 16 N CB 1.909 39.870 38.487 -0.877 0.000 1.303 16 N HN 0.407 nan 8.380 nan 0.000 0.495 17 V N 0.971 120.871 119.914 -0.024 0.000 3.130 17 V HA 0.658 4.778 4.120 -0.000 0.000 0.310 17 V C -0.360 175.767 176.094 0.056 0.000 1.158 17 V CA -0.993 61.363 62.300 0.094 0.000 1.029 17 V CB 1.794 33.641 31.823 0.039 0.000 1.057 17 V HN 0.363 nan 8.190 nan 0.000 0.436 18 L N 2.212 123.468 121.223 0.055 0.000 2.399 18 L HA 0.835 5.175 4.340 -0.000 0.000 0.266 18 L C 0.562 177.423 176.870 -0.014 0.000 1.114 18 L CA -0.280 54.529 54.840 -0.052 0.000 0.804 18 L CB 1.397 43.378 42.059 -0.131 0.000 1.146 18 L HN 1.003 nan 8.230 nan 0.000 0.451 19 A N 1.379 124.185 122.820 -0.024 0.000 2.330 19 A HA 0.282 4.602 4.320 -0.000 0.000 0.327 19 A C 0.481 178.109 177.584 0.074 0.000 1.155 19 A CA -0.626 51.443 52.037 0.054 0.000 0.803 19 A CB 0.844 19.924 19.000 0.133 0.000 1.208 19 A HN 0.915 nan 8.150 nan 0.000 0.477 20 N N 0.726 119.474 118.700 0.080 0.000 2.300 20 N HA -0.099 4.641 4.740 -0.000 0.000 0.179 20 N C 0.019 175.595 175.510 0.109 0.000 1.016 20 N CA 1.296 54.384 53.050 0.063 0.000 0.876 20 N CB -0.019 38.490 38.487 0.036 0.000 0.979 20 N HN 0.874 nan 8.380 nan 0.000 0.432 21 N N -1.848 116.945 118.700 0.155 0.000 3.373 21 N HA 0.094 4.834 4.740 -0.000 0.000 0.275 21 N C 0.131 175.655 175.510 0.024 0.000 1.489 21 N CA -0.643 52.470 53.050 0.106 0.000 0.872 21 N CB 0.238 38.730 38.487 0.007 0.000 1.555 21 N HN -0.200 nan 8.380 nan 0.000 0.500 22 I N -0.232 120.151 120.570 -0.312 0.000 2.315 22 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 22 I C 2.314 178.362 176.117 -0.115 0.000 1.117 22 I CA 1.444 62.508 61.300 -0.393 0.000 1.404 22 I CB -0.233 37.447 38.000 -0.534 0.000 1.071 22 I HN 0.752 nan 8.210 nan 0.000 0.419 23 E N 1.412 121.564 120.200 -0.080 0.000 2.097 23 E HA -0.319 4.031 4.350 -0.000 0.000 0.196 23 E C 1.955 178.560 176.600 0.008 0.000 1.000 23 E CA 1.887 58.268 56.400 -0.032 0.000 0.804 23 E CB -0.072 29.611 29.700 -0.028 0.000 0.740 23 E HN 0.350 nan 8.360 nan 0.000 0.454 24 N N 0.195 118.912 118.700 0.028 0.000 2.142 24 N HA -0.119 4.620 4.740 -0.000 0.000 0.186 24 N C 1.614 177.171 175.510 0.079 0.000 1.023 24 N CA 1.653 54.734 53.050 0.051 0.000 0.852 24 N CB -0.375 38.146 38.487 0.057 0.000 0.998 24 N HN 0.271 nan 8.380 nan 0.000 0.424 25 A N 0.737 123.630 122.820 0.121 0.000 1.917 25 A HA -0.191 4.128 4.320 -0.000 0.000 0.219 25 A C 2.131 179.787 177.584 0.119 0.000 1.182 25 A CA 1.701 53.829 52.037 0.151 0.000 0.633 25 A CB -0.539 18.626 19.000 0.275 0.000 0.819 25 A HN 0.404 nan 8.150 nan 0.000 0.448 26 K N -0.623 119.823 120.400 0.077 0.000 2.057 26 K HA -0.134 4.185 4.320 -0.000 0.000 0.207 26 K C 1.506 178.174 176.600 0.113 0.000 1.049 26 K CA 1.426 57.764 56.287 0.086 0.000 0.931 26 K CB -0.214 32.307 32.500 0.035 0.000 0.714 26 K HN 0.401 nan 8.250 nan 0.000 0.440 27 D N 0.835 121.280 120.400 0.074 0.000 2.144 27 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 27 D C 1.868 178.204 176.300 0.061 0.000 0.978 27 D CA 0.907 54.940 54.000 0.056 0.000 0.833 27 D CB -0.077 40.743 40.800 0.033 0.000 0.961 27 D HN 0.155 nan 8.370 nan 0.000 0.470 28 I N 0.075 120.693 120.570 0.080 0.000 2.179 28 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 28 I C 2.179 178.356 176.117 0.101 0.000 1.088 28 I CA 0.664 62.007 61.300 0.073 0.000 1.357 28 I CB -0.156 37.893 38.000 0.082 0.000 1.051 28 I HN -0.105 nan 8.210 nan 0.000 0.409 29 F N 1.590 121.529 119.950 -0.018 0.000 2.171 29 F HA -0.244 4.283 4.527 -0.001 0.000 0.300 29 F C 2.519 178.294 175.800 -0.041 0.000 1.090 29 F CA 1.957 59.937 58.000 -0.034 0.000 1.293 29 F CB -0.231 38.754 39.000 -0.025 0.000 1.013 29 F HN 0.082 nan 8.300 nan 0.000 0.486 30 E N -0.122 120.105 120.200 0.046 0.000 2.072 30 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 30 E C 2.267 178.816 176.600 -0.084 0.000 0.985 30 E CA 0.939 57.309 56.400 -0.050 0.000 0.801 30 E CB -0.291 29.422 29.700 0.023 0.000 0.750 30 E HN 0.390 nan 8.360 nan 0.000 0.452 31 A N 0.923 123.716 122.820 -0.045 0.000 1.969 31 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 31 A C 2.192 179.735 177.584 -0.068 0.000 1.169 31 A CA 1.452 53.460 52.037 -0.048 0.000 0.635 31 A CB -0.406 18.576 19.000 -0.031 0.000 0.810 31 A HN 0.358 nan 8.150 nan 0.000 0.445 32 A N -0.953 121.812 122.820 -0.092 0.000 2.251 32 A HA 0.293 4.612 4.320 -0.000 0.000 0.209 32 A C 0.638 178.152 177.584 -0.116 0.000 1.187 32 A CA 0.693 52.678 52.037 -0.088 0.000 0.823 32 A CB -0.539 18.411 19.000 -0.083 0.000 0.846 32 A HN 0.572 nan 8.150 nan 0.000 0.486 33 E N -2.385 117.691 120.200 -0.207 0.000 2.539 33 E HA -0.283 4.066 4.350 -0.000 0.000 0.253 33 E C 0.917 177.120 176.600 -0.662 0.000 1.145 33 E CA 0.469 56.694 56.400 -0.292 0.000 0.738 33 E CB -2.052 27.616 29.700 -0.054 0.000 1.308 33 E HN 1.497 nan 8.360 nan 0.000 0.409 34 G N -0.790 107.459 108.800 -0.919 0.000 2.179 34 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.260 34 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.260 34 G C -0.001 174.466 174.900 -0.721 0.000 0.977 34 G CA 0.401 44.729 45.100 -1.287 0.000 0.641 34 G HN 0.323 nan 8.290 nan 0.000 0.533 35 Y N 0.022 120.171 120.300 -0.251 0.000 2.903 35 Y HA 0.633 5.183 4.550 -0.001 0.000 0.387 35 Y C 0.674 176.485 175.900 -0.149 0.000 1.189 35 Y CA -0.259 57.763 58.100 -0.130 0.000 1.856 35 Y CB 0.479 38.916 38.460 -0.039 0.000 1.917 35 Y HN 0.306 nan 8.280 nan 0.000 0.448 36 V N 0.764 120.653 119.914 -0.041 0.000 3.077 36 V HA 0.690 4.809 4.120 -0.000 0.000 0.299 36 V C -1.412 174.660 176.094 -0.036 0.000 1.276 36 V CA -1.022 61.247 62.300 -0.052 0.000 0.993 36 V CB 2.397 34.219 31.823 -0.003 0.000 1.076 36 V HN 0.009 nan 8.190 nan 0.000 0.434 37 V N 3.875 123.698 119.914 -0.152 0.000 2.513 37 V HA 0.855 4.975 4.120 -0.000 0.000 0.299 37 V C -0.608 175.409 176.094 -0.128 0.000 1.035 37 V CA -0.618 61.593 62.300 -0.148 0.000 0.889 37 V CB 1.499 33.152 31.823 -0.283 0.000 0.988 37 V HN 0.662 nan 8.190 nan 0.000 0.440 38 V N 4.119 123.992 119.914 -0.069 0.000 2.370 38 V HA 0.669 4.789 4.120 -0.000 0.000 0.279 38 V C 1.119 177.144 176.094 -0.114 0.000 1.029 38 V CA 0.151 62.413 62.300 -0.063 0.000 0.870 38 V CB 1.317 33.131 31.823 -0.014 0.000 0.984 38 V HN 1.205 nan 8.190 nan 0.000 0.451 39 G N 3.948 112.681 108.800 -0.113 0.000 2.364 39 G HA2 0.462 4.421 3.960 -0.000 0.000 0.267 39 G HA3 0.462 4.421 3.960 -0.000 0.000 0.267 39 G C -0.596 174.179 174.900 -0.208 0.000 1.233 39 G CA -0.104 44.919 45.100 -0.128 0.000 0.885 39 G HN 0.568 nan 8.290 nan 0.000 0.490 40 V N 4.372 124.156 119.914 -0.217 0.000 2.409 40 V HA 0.323 4.443 4.120 -0.000 0.000 0.291 40 V C 0.193 176.242 176.094 -0.075 0.000 1.020 40 V CA -0.670 61.471 62.300 -0.264 0.000 0.848 40 V CB 1.472 33.021 31.823 -0.457 0.000 0.990 40 V HN 0.592 nan 8.190 nan 0.000 0.430 41 L N 4.072 125.283 121.223 -0.020 0.000 2.276 41 L HA 0.301 4.640 4.340 -0.000 0.000 0.286 41 L C 1.741 178.677 176.870 0.110 0.000 1.061 41 L CA -0.173 54.670 54.840 0.006 0.000 0.807 41 L CB 1.679 43.707 42.059 -0.052 0.000 1.177 41 L HN 0.867 nan 8.230 nan 0.000 0.429 42 S N 1.938 117.696 115.700 0.096 0.000 2.383 42 S HA -0.244 4.226 4.470 -0.000 0.000 0.229 42 S C 1.702 176.381 174.600 0.132 0.000 1.030 42 S CA 1.173 59.457 58.200 0.140 0.000 1.002 42 S CB -0.192 63.061 63.200 0.087 0.000 0.829 42 S HN 0.723 nan 8.310 nan 0.000 0.467 43 K N 1.014 121.447 120.400 0.055 0.000 2.362 43 K HA -0.070 4.250 4.320 -0.000 0.000 0.200 43 K C 0.754 177.334 176.600 -0.033 0.000 1.046 43 K CA 1.232 57.529 56.287 0.017 0.000 0.952 43 K CB -0.187 32.310 32.500 -0.004 0.000 0.753 43 K HN 0.276 nan 8.250 nan 0.000 0.466 44 D N -0.382 119.964 120.400 -0.091 0.000 2.371 44 D HA -0.067 4.573 4.640 -0.000 0.000 0.221 44 D C -0.518 175.443 176.300 -0.565 0.000 0.986 44 D CA 0.856 54.661 54.000 -0.325 0.000 0.899 44 D CB 0.102 40.640 40.800 -0.436 0.000 0.902 44 D HN 0.158 nan 8.370 nan 0.000 0.530 45 Y N -0.538 119.762 120.300 0.000 0.000 2.446 45 Y HA 0.262 4.812 4.550 -0.000 0.000 0.345 45 Y C -1.435 174.466 175.900 0.002 0.000 0.984 45 Y CA -2.045 56.056 58.100 0.002 0.000 1.058 45 Y CB 1.891 40.352 38.460 0.002 0.000 1.220 45 Y HN -0.242 nan 8.280 nan 0.000 0.455 46 P HA -0.017 nan 4.420 nan 0.000 0.224 46 P C 0.141 177.485 177.300 0.073 0.000 1.157 46 P CA 0.932 64.076 63.100 0.074 0.000 0.799 46 P CB 0.601 32.332 31.700 0.052 0.000 0.809 47 T N -4.333 110.273 114.554 0.086 0.000 2.916 47 T HA 0.391 4.740 4.350 -0.000 0.000 0.292 47 T C 1.107 175.837 174.700 0.051 0.000 1.055 47 T CA -0.717 61.415 62.100 0.054 0.000 1.009 47 T CB 1.673 70.558 68.868 0.028 0.000 1.118 47 T HN -0.272 nan 8.240 nan 0.000 0.497 48 V N 1.406 121.343 119.914 0.038 0.000 2.287 48 V HA -0.153 3.967 4.120 -0.000 0.000 0.248 48 V C 2.693 178.775 176.094 -0.020 0.000 1.053 48 V CA 2.249 64.570 62.300 0.036 0.000 1.027 48 V CB -1.047 30.819 31.823 0.071 0.000 0.646 48 V HN 0.923 nan 8.190 nan 0.000 0.447 49 E N 0.115 120.284 120.200 -0.051 0.000 2.070 49 E HA -0.228 4.122 4.350 -0.000 0.000 0.197 49 E C 2.249 178.786 176.600 -0.105 0.000 1.004 49 E CA 1.671 58.011 56.400 -0.101 0.000 0.805 49 E CB -0.297 29.353 29.700 -0.083 0.000 0.744 49 E HN 0.656 nan 8.360 nan 0.000 0.451 50 E N -0.214 119.944 120.200 -0.071 0.000 2.106 50 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 50 E C 2.053 178.459 176.600 -0.323 0.000 0.984 50 E CA 0.813 57.156 56.400 -0.095 0.000 0.806 50 E CB -0.124 29.608 29.700 0.054 0.000 0.750 50 E HN 0.261 nan 8.360 nan 0.000 0.458 51 A N 1.128 123.777 122.820 -0.285 0.000 1.902 51 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 51 A C 2.525 179.866 177.584 -0.405 0.000 1.181 51 A CA 1.187 52.926 52.037 -0.497 0.000 0.623 51 A CB -0.716 18.218 19.000 -0.111 0.000 0.818 51 A HN 0.100 nan 8.150 nan 0.000 0.443 52 V N -0.199 119.580 119.914 -0.226 0.000 2.255 52 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 52 V C 2.764 178.676 176.094 -0.303 0.000 1.051 52 V CA 2.579 64.755 62.300 -0.205 0.000 1.018 52 V CB -1.371 30.407 31.823 -0.075 0.000 0.641 52 V HN 0.613 nan 8.190 nan 0.000 0.445 53 T N 0.102 114.504 114.554 -0.252 0.000 2.746 53 T HA -0.012 4.338 4.350 -0.000 0.000 0.267 53 T C 1.126 175.672 174.700 -0.257 0.000 1.039 53 T CA 1.052 63.020 62.100 -0.220 0.000 1.142 53 T CB -0.347 68.429 68.868 -0.155 0.000 0.866 53 T HN 0.622 nan 8.240 nan 0.000 0.444 57 A N 0.798 123.532 122.820 -0.143 0.000 1.898 57 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 57 A C 1.732 179.261 177.584 -0.091 0.000 1.181 57 A CA 1.347 53.317 52.037 -0.112 0.000 0.620 57 A CB -0.655 18.262 19.000 -0.139 0.000 0.819 57 A HN 0.300 nan 8.150 nan 0.000 0.442 58 Y N 0.153 120.375 120.300 -0.130 0.000 2.128 58 Y HA -0.136 4.414 4.550 -0.000 0.000 0.284 58 Y C 2.815 178.649 175.900 -0.110 0.000 1.154 58 Y CA 1.366 59.404 58.100 -0.103 0.000 1.149 58 Y CB -0.780 37.628 38.460 -0.086 0.000 0.976 58 Y HN 0.346 nan 8.280 nan 0.000 0.505 59 G N -0.403 108.447 108.800 0.084 0.000 2.450 59 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.220 59 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.220 59 G C 1.647 176.540 174.900 -0.012 0.000 1.130 59 G CA 1.096 46.231 45.100 0.057 0.000 0.760 59 G HN 0.337 nan 8.290 nan 0.000 0.557 60 K N 0.193 120.579 120.400 -0.023 0.000 2.209 60 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 60 K C 1.947 178.507 176.600 -0.067 0.000 1.048 60 K CA 1.204 57.467 56.287 -0.039 0.000 0.940 60 K CB 0.067 32.541 32.500 -0.043 0.000 0.729 60 K HN 0.203 nan 8.250 nan 0.000 0.451 61 E N 0.137 120.283 120.200 -0.089 0.000 2.415 61 E HA 0.004 4.354 4.350 -0.000 0.000 0.197 61 E C 1.193 177.678 176.600 -0.193 0.000 1.007 61 E CA 0.518 56.853 56.400 -0.107 0.000 0.890 61 E CB 0.527 30.169 29.700 -0.098 0.000 0.891 61 E HN 0.546 nan 8.360 nan 0.000 0.496 62 I N -1.788 118.592 120.570 -0.317 0.000 3.326 62 I HA 0.349 4.519 4.170 -0.000 0.000 0.336 62 I C -0.511 175.129 176.117 -0.796 0.000 1.543 62 I CA -0.386 60.430 61.300 -0.806 0.000 1.013 62 I CB 0.326 37.823 38.000 -0.838 0.000 1.468 62 I HN -0.271 nan 8.210 nan 0.000 0.515 63 D N 2.451 122.637 120.400 -0.356 0.000 2.772 63 D HA -0.271 4.368 4.640 -0.000 0.000 0.233 63 D C 0.343 176.577 176.300 -0.110 0.000 1.143 63 D CA 1.529 55.431 54.000 -0.164 0.000 0.700 63 D CB -0.894 39.877 40.800 -0.047 0.000 1.076 63 D HN 0.766 nan 8.370 nan 0.000 0.430 64 D N -2.333 118.015 120.400 -0.086 0.000 2.882 64 D HA -0.237 4.403 4.640 -0.000 0.000 0.229 64 D C 0.429 176.719 176.300 -0.015 0.000 1.167 64 D CA 1.212 55.215 54.000 0.005 0.000 0.759 64 D CB -1.353 39.471 40.800 0.041 0.000 1.088 64 D HN 0.642 nan 8.370 nan 0.000 0.425 65 A N 0.374 123.133 122.820 -0.101 0.000 2.958 65 A HA 0.345 4.665 4.320 -0.000 0.000 0.247 65 A C 0.643 178.204 177.584 -0.038 0.000 1.679 65 A CA -0.130 51.873 52.037 -0.055 0.000 1.345 65 A CB 0.176 19.163 19.000 -0.022 0.000 1.013 65 A HN 0.090 nan 8.150 nan 0.000 0.641 66 V N 0.636 120.559 119.914 0.016 0.000 2.439 66 V HA 0.366 4.485 4.120 -0.000 0.000 0.282 66 V C 0.667 176.798 176.094 0.061 0.000 1.039 66 V CA -0.236 62.086 62.300 0.036 0.000 0.913 66 V CB 1.664 33.582 31.823 0.159 0.000 0.983 66 V HN 0.508 nan 8.190 nan 0.000 0.460 67 S N 5.904 121.623 115.700 0.032 0.000 2.438 67 S HA 0.545 5.015 4.470 -0.000 0.000 0.316 67 S C -0.383 174.288 174.600 0.119 0.000 1.084 67 S CA -0.683 57.602 58.200 0.141 0.000 1.107 67 S CB 0.162 63.395 63.200 0.054 0.000 0.981 67 S HN 0.518 nan 8.310 nan 0.000 0.466 68 I N 4.994 125.656 120.570 0.154 0.000 2.436 68 I HA 0.298 4.468 4.170 -0.000 0.000 0.289 68 I C 1.177 177.354 176.117 0.100 0.000 1.083 68 I CA -0.219 61.147 61.300 0.110 0.000 1.372 68 I CB 0.471 38.541 38.000 0.117 0.000 1.408 68 I HN 0.673 nan 8.210 nan 0.000 0.516 69 G N 5.519 114.353 108.800 0.055 0.000 2.417 69 G HA2 0.537 4.496 3.960 -0.000 0.000 0.334 69 G HA3 0.537 4.496 3.960 -0.000 0.000 0.334 69 G C 0.556 175.470 174.900 0.023 0.000 1.150 69 G CA -0.615 44.506 45.100 0.036 0.000 0.923 69 G HN 0.612 nan 8.290 nan 0.000 0.485 70 L N 1.289 122.520 121.223 0.013 0.000 2.068 70 L HA 0.290 4.629 4.340 -0.000 0.000 0.204 70 L C 1.498 178.359 176.870 -0.016 0.000 1.076 70 L CA 1.229 56.072 54.840 0.006 0.000 0.753 70 L CB -0.319 41.741 42.059 0.001 0.000 0.910 70 L HN 0.851 nan 8.230 nan 0.000 0.439 71 G N -0.895 107.872 108.800 -0.055 0.000 2.730 71 G HA2 0.256 4.215 3.960 -0.000 0.000 0.644 71 G HA3 0.256 4.215 3.960 -0.000 0.000 0.644 71 G C 0.310 175.168 174.900 -0.068 0.000 1.168 71 G CA -0.456 44.597 45.100 -0.078 0.000 1.240 71 G HN 0.629 nan 8.290 nan 0.000 0.551 72 A N 0.632 123.387 122.820 -0.110 0.000 2.748 72 A HA 0.340 4.660 4.320 -0.000 0.000 0.297 72 A C 2.709 180.209 177.584 -0.140 0.000 1.508 72 A CA 2.055 54.062 52.037 -0.049 0.000 0.799 72 A CB -1.280 17.778 19.000 0.097 0.000 1.011 72 A HN 3.062 nan 8.150 nan 0.000 0.500 73 G N -1.201 107.458 108.800 -0.234 0.000 2.155 73 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.257 73 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.257 73 G C -0.032 174.876 174.900 0.014 0.000 0.983 73 G CA 1.043 46.029 45.100 -0.189 0.000 0.676 73 G HN 1.768 nan 8.290 nan 0.000 0.528 74 D N 0.807 121.220 120.400 0.022 0.000 2.426 74 D HA 0.165 4.805 4.640 -0.000 0.000 0.261 74 D C 1.676 178.004 176.300 0.046 0.000 1.245 74 D CA 0.280 54.309 54.000 0.048 0.000 0.917 74 D CB 0.096 40.916 40.800 0.033 0.000 1.123 74 D HN 0.442 nan 8.370 nan 0.000 0.508 75 N N 3.736 122.472 118.700 0.059 0.000 2.494 75 N HA -0.123 4.617 4.740 -0.000 0.000 0.182 75 N C 1.170 176.709 175.510 0.047 0.000 1.076 75 N CA 0.616 53.700 53.050 0.058 0.000 0.908 75 N CB -0.119 38.410 38.487 0.068 0.000 0.967 75 N HN 0.334 nan 8.380 nan 0.000 0.449 76 R N -0.323 120.202 120.500 0.042 0.000 2.193 76 R HA 0.046 4.386 4.340 -0.000 0.000 0.229 76 R C 1.093 177.414 176.300 0.035 0.000 1.110 76 R CA 0.929 57.050 56.100 0.036 0.000 0.988 76 R CB -0.109 30.210 30.300 0.032 0.000 0.871 76 R HN 0.340 nan 8.270 nan 0.000 0.458 77 Q N -0.307 119.514 119.800 0.035 0.000 2.360 77 Q HA 0.168 4.508 4.340 -0.000 0.000 0.202 77 Q C 1.738 177.760 176.000 0.037 0.000 0.915 77 Q CA 0.503 56.327 55.803 0.036 0.000 0.943 77 Q CB 0.658 29.415 28.738 0.032 0.000 1.064 77 Q HN 0.300 nan 8.270 nan 0.000 0.511 78 A N 1.196 124.038 122.820 0.037 0.000 1.883 78 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 78 A C 2.272 179.875 177.584 0.031 0.000 1.186 78 A CA 1.884 53.942 52.037 0.036 0.000 0.624 78 A CB -0.526 18.499 19.000 0.041 0.000 0.822 78 A HN 0.356 nan 8.150 nan 0.000 0.444 79 A N -0.675 122.164 122.820 0.031 0.000 1.930 79 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 79 A C 2.218 179.822 177.584 0.033 0.000 1.175 79 A CA 1.697 53.751 52.037 0.028 0.000 0.627 79 A CB -0.837 18.180 19.000 0.028 0.000 0.815 79 A HN 0.390 nan 8.150 nan 0.000 0.443 80 V N -0.451 119.487 119.914 0.040 0.000 2.295 80 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 80 V C 2.548 178.674 176.094 0.053 0.000 1.049 80 V CA 1.997 64.327 62.300 0.050 0.000 1.024 80 V CB -0.902 30.953 31.823 0.053 0.000 0.648 80 V HN 0.358 nan 8.190 nan 0.000 0.447 81 V N 0.391 120.333 119.914 0.047 0.000 2.332 81 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 81 V C 2.731 178.844 176.094 0.032 0.000 1.055 81 V CA 2.029 64.357 62.300 0.046 0.000 1.038 81 V CB -1.150 30.697 31.823 0.041 0.000 0.651 81 V HN 0.565 nan 8.190 nan 0.000 0.450 82 A N -0.045 122.786 122.820 0.020 0.000 1.940 82 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 82 A C 2.199 179.780 177.584 -0.006 0.000 1.176 82 A CA 2.150 54.187 52.037 0.001 0.000 0.631 82 A CB -0.480 18.518 19.000 -0.002 0.000 0.814 82 A HN 0.582 nan 8.150 nan 0.000 0.446 83 E N 0.276 120.486 120.200 0.017 0.000 2.072 83 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 83 E C 1.674 178.299 176.600 0.043 0.000 0.985 83 E CA 1.325 57.741 56.400 0.026 0.000 0.801 83 E CB -0.428 29.313 29.700 0.069 0.000 0.750 83 E HN 0.621 nan 8.360 nan 0.000 0.452 84 I N 0.584 121.206 120.570 0.088 0.000 2.264 84 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 84 I C 2.277 178.444 176.117 0.083 0.000 1.111 84 I CA 1.106 62.491 61.300 0.142 0.000 1.382 84 I CB -0.376 37.699 38.000 0.124 0.000 1.060 84 I HN 0.205 nan 8.210 nan 0.000 0.418 85 A N 0.555 123.381 122.820 0.009 0.000 2.070 85 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 85 A C 2.230 179.747 177.584 -0.111 0.000 1.159 85 A CA 1.355 53.372 52.037 -0.035 0.000 0.656 85 A CB -0.435 18.540 19.000 -0.041 0.000 0.800 85 A HN 0.364 nan 8.150 nan 0.000 0.453 86 K N -1.091 119.164 120.400 -0.243 0.000 2.209 86 K HA -0.140 4.179 4.320 -0.000 0.000 0.204 86 K C 1.330 177.654 176.600 -0.460 0.000 1.048 86 K CA 1.461 57.483 56.287 -0.441 0.000 0.940 86 K CB -0.177 31.877 32.500 -0.743 0.000 0.729 86 K HN 0.690 nan 8.250 nan 0.000 0.451 87 H N -2.855 116.245 119.070 0.049 0.000 2.788 87 H HA 0.097 4.653 4.556 -0.000 0.000 0.262 87 H C -0.417 174.998 175.328 0.146 0.000 0.968 87 H CA 0.194 56.286 56.048 0.073 0.000 1.218 87 H CB 0.546 30.345 29.762 0.062 0.000 1.443 87 H HN 0.026 nan 8.280 nan 0.000 0.478 88 Y N 2.647 122.992 120.300 0.075 0.000 2.330 88 Y HA 0.289 4.839 4.550 -0.000 0.000 0.324 88 Y C -2.372 173.541 175.900 0.020 0.000 1.093 88 Y CA -2.380 55.745 58.100 0.042 0.000 1.103 88 Y CB 2.138 40.618 38.460 0.034 0.000 1.183 88 Y HN -0.182 nan 8.280 nan 0.000 0.433 89 P HA 0.172 nan 4.420 nan 0.000 0.230 89 P C 0.832 177.839 177.300 -0.488 0.000 1.168 89 P CA 1.472 64.334 63.100 -0.396 0.000 0.793 89 P CB 0.573 32.120 31.700 -0.254 0.000 0.851 90 G N 0.544 108.710 108.800 -1.057 0.000 2.591 90 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.278 90 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.278 90 G C 0.904 175.687 174.900 -0.196 0.000 1.293 90 G CA 0.416 45.221 45.100 -0.492 0.000 0.930 90 G HN 0.227 nan 8.290 nan 0.000 0.562 91 S N -0.529 115.152 115.700 -0.031 0.000 2.506 91 S HA 0.230 4.700 4.470 -0.000 0.000 0.219 91 S C 0.420 175.093 174.600 0.123 0.000 1.031 91 S CA 0.979 59.195 58.200 0.026 0.000 0.911 91 S CB 0.126 63.337 63.200 0.017 0.000 0.812 91 S HN 0.914 nan 8.310 nan 0.000 0.497 92 H N -0.071 119.010 119.070 0.018 0.000 3.086 92 H HA 0.471 5.026 4.556 -0.000 0.000 0.353 92 H C -2.070 173.324 175.328 0.110 0.000 1.134 92 H CA -0.525 55.575 56.048 0.086 0.000 1.248 92 H CB 0.863 30.609 29.762 -0.028 0.000 1.878 92 H HN 0.073 nan 8.280 nan 0.000 0.527 93 I N 4.008 124.446 120.570 -0.219 0.000 2.478 93 I HA 0.176 4.346 4.170 -0.000 0.000 0.287 93 I C -0.539 175.499 176.117 -0.131 0.000 1.042 93 I CA -0.765 60.488 61.300 -0.079 0.000 1.067 93 I CB 1.881 39.862 38.000 -0.032 0.000 1.233 93 I HN 0.453 nan 8.210 nan 0.000 0.431 94 N N 5.019 123.741 118.700 0.038 0.000 2.472 94 N HA 0.440 5.180 4.740 -0.000 0.000 0.277 94 N C -0.635 174.902 175.510 0.046 0.000 1.081 94 N CA -0.366 52.738 53.050 0.090 0.000 0.973 94 N CB 0.876 39.462 38.487 0.164 0.000 1.105 94 N HN 0.419 nan 8.380 nan 0.000 0.470 95 Q N 1.164 120.988 119.800 0.040 0.000 2.418 95 Q HA 0.449 4.789 4.340 -0.000 0.000 0.282 95 Q C -1.350 174.685 176.000 0.059 0.000 1.044 95 Q CA -0.983 54.840 55.803 0.034 0.000 0.813 95 Q CB 1.534 30.275 28.738 0.005 0.000 1.428 95 Q HN 0.406 nan 8.270 nan 0.000 0.402 96 V N 1.374 121.329 119.914 0.069 0.000 2.881 96 V HA 0.355 4.474 4.120 -0.000 0.000 0.303 96 V C 1.167 177.347 176.094 0.142 0.000 1.070 96 V CA -0.125 62.246 62.300 0.118 0.000 1.074 96 V CB 0.568 32.459 31.823 0.113 0.000 1.012 96 V HN 0.933 nan 8.190 nan 0.000 0.482 97 F N 4.081 124.061 119.950 0.051 0.000 2.043 97 F HA -0.060 4.467 4.527 -0.001 0.000 0.297 97 F C -0.275 175.543 175.800 0.031 0.000 1.118 97 F CA 2.786 60.813 58.000 0.046 0.000 1.202 97 F CB -0.988 38.044 39.000 0.053 0.000 0.965 97 F HN 0.552 nan 8.300 nan 0.000 0.482 98 P HA -0.025 nan 4.420 nan 0.000 0.237 98 P C 0.914 178.201 177.300 -0.022 0.000 1.178 98 P CA 1.210 64.356 63.100 0.077 0.000 0.766 98 P CB 0.133 31.939 31.700 0.176 0.000 0.876 99 S N -0.993 114.696 115.700 -0.018 0.000 2.540 99 S HA 0.068 4.538 4.470 -0.000 0.000 0.218 99 S C 1.755 176.318 174.600 -0.061 0.000 0.977 99 S CA -0.168 58.017 58.200 -0.026 0.000 0.918 99 S CB -0.400 62.803 63.200 0.006 0.000 0.806 99 S HN -0.062 nan 8.310 nan 0.000 0.496 100 V N 1.819 121.664 119.914 -0.115 0.000 2.343 100 V HA -0.163 3.956 4.120 -0.000 0.000 0.247 100 V C 2.617 178.643 176.094 -0.113 0.000 1.051 100 V CA 2.210 64.435 62.300 -0.125 0.000 1.036 100 V CB -1.286 30.425 31.823 -0.187 0.000 0.654 100 V HN 0.576 nan 8.190 nan 0.000 0.451 101 G N -0.517 108.208 108.800 -0.125 0.000 2.418 101 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 101 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 101 G C 1.778 176.637 174.900 -0.067 0.000 1.158 101 G CA 1.015 46.058 45.100 -0.096 0.000 0.771 101 G HN 0.607 nan 8.290 nan 0.000 0.545 102 A N 0.359 123.145 122.820 -0.056 0.000 1.902 102 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 102 A C 2.543 180.101 177.584 -0.044 0.000 1.181 102 A CA 2.494 54.506 52.037 -0.041 0.000 0.623 102 A CB -0.961 18.022 19.000 -0.029 0.000 0.818 102 A HN 0.304 nan 8.150 nan 0.000 0.443 103 T N -0.535 113.991 114.554 -0.046 0.000 2.708 103 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 103 T C 2.109 176.779 174.700 -0.051 0.000 1.037 103 T CA 1.707 63.781 62.100 -0.044 0.000 1.146 103 T CB -0.248 68.596 68.868 -0.040 0.000 0.865 103 T HN 0.509 nan 8.240 nan 0.000 0.435 104 R N 1.957 122.422 120.500 -0.058 0.000 2.091 104 R HA 0.045 4.384 4.340 -0.000 0.000 0.238 104 R C 2.361 178.631 176.300 -0.050 0.000 1.136 104 R CA 1.847 57.913 56.100 -0.056 0.000 0.959 104 R CB -1.065 29.197 30.300 -0.064 0.000 0.856 104 R HN 0.350 nan 8.270 nan 0.000 0.437 105 A N 0.321 123.112 122.820 -0.049 0.000 1.877 105 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 105 A C 1.935 179.490 177.584 -0.047 0.000 1.186 105 A CA 1.864 53.875 52.037 -0.043 0.000 0.620 105 A CB -0.793 18.183 19.000 -0.039 0.000 0.822 105 A HN 0.650 nan 8.150 nan 0.000 0.443 106 N N -0.237 118.431 118.700 -0.054 0.000 2.289 106 N HA -0.067 4.673 4.740 -0.000 0.000 0.184 106 N C 1.486 176.949 175.510 -0.078 0.000 1.016 106 N CA 0.897 53.904 53.050 -0.070 0.000 0.872 106 N CB -0.282 38.158 38.487 -0.078 0.000 0.973 106 N HN 0.441 nan 8.380 nan 0.000 0.433 107 L N 0.458 121.643 121.223 -0.063 0.000 2.191 107 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 107 L C 1.769 178.609 176.870 -0.050 0.000 1.103 107 L CA 0.641 55.445 54.840 -0.060 0.000 0.769 107 L CB -0.957 41.072 42.059 -0.050 0.000 0.908 107 L HN 0.295 nan 8.230 nan 0.000 0.438 108 G N 0.459 109.232 108.800 -0.045 0.000 2.596 108 G HA2 -0.403 3.556 3.960 -0.000 0.000 0.304 108 G HA3 -0.403 3.556 3.960 -0.000 0.000 0.304 108 G C 0.665 175.549 174.900 -0.026 0.000 1.189 108 G CA 0.581 45.660 45.100 -0.034 0.000 0.986 108 G HN 0.415 nan 8.290 nan 0.000 0.548 109 E N 1.406 121.594 120.200 -0.020 0.000 2.481 109 E HA 0.087 4.437 4.350 -0.000 0.000 0.195 109 E C 0.798 177.389 176.600 -0.014 0.000 1.047 109 E CA 0.287 56.679 56.400 -0.014 0.000 0.867 109 E CB 0.079 29.774 29.700 -0.008 0.000 0.858 109 E HN 0.443 nan 8.360 nan 0.000 0.513 110 K N 1.789 122.175 120.400 -0.022 0.000 2.237 110 K HA 0.135 4.454 4.320 -0.000 0.000 0.270 110 K C -0.306 176.280 176.600 -0.023 0.000 1.015 110 K CA -0.133 56.137 56.287 -0.027 0.000 0.949 110 K CB 0.711 33.185 32.500 -0.044 0.000 0.976 110 K HN -0.088 nan 8.250 nan 0.000 0.472 111 D N 0.804 121.195 120.400 -0.015 0.000 2.163 111 D HA 0.318 4.958 4.640 -0.000 0.000 0.248 111 D C -0.399 175.904 176.300 0.006 0.000 1.035 111 D CA -0.041 53.961 54.000 0.004 0.000 0.872 111 D CB 2.016 42.830 40.800 0.023 0.000 1.183 111 D HN 0.309 nan 8.370 nan 0.000 0.445 112 S N 0.581 116.300 115.700 0.032 0.000 2.661 112 S HA 0.402 4.872 4.470 -0.000 0.000 0.268 112 S C -2.071 172.619 174.600 0.150 0.000 1.162 112 S CA -0.886 57.357 58.200 0.071 0.000 0.817 112 S CB 1.238 64.444 63.200 0.010 0.000 1.141 112 S HN 0.484 nan 8.310 nan 0.000 0.477 113 W N 3.692 124.972 121.300 -0.034 0.000 2.475 113 W HA 0.652 5.312 4.660 -0.000 0.000 0.317 113 W C -2.094 174.345 176.519 -0.133 0.000 1.046 113 W CA -0.897 56.426 57.345 -0.037 0.000 1.215 113 W CB 0.521 30.007 29.460 0.042 0.000 1.335 113 W HN 0.535 nan 8.180 nan 0.000 0.471 114 I N 7.058 127.532 120.570 -0.161 0.000 2.406 114 I HA 0.148 4.318 4.170 -0.000 0.000 0.290 114 I C 0.165 176.148 176.117 -0.223 0.000 0.999 114 I CA -0.796 60.416 61.300 -0.148 0.000 1.124 114 I CB 1.555 39.485 38.000 -0.117 0.000 1.289 114 I HN 0.397 nan 8.210 nan 0.000 0.441 115 N N 3.876 122.523 118.700 -0.088 0.000 2.463 115 N HA 0.363 5.103 4.740 -0.000 0.000 0.270 115 N C -0.719 174.811 175.510 0.033 0.000 1.205 115 N CA -0.570 52.487 53.050 0.010 0.000 0.974 115 N CB 1.641 40.243 38.487 0.191 0.000 1.197 115 N HN 0.440 nan 8.380 nan 0.000 0.504 116 S N 0.575 116.334 115.700 0.099 0.000 2.659 116 S HA 0.338 4.808 4.470 -0.000 0.000 0.312 116 S C -0.834 173.895 174.600 0.216 0.000 1.114 116 S CA -0.915 57.372 58.200 0.145 0.000 1.063 116 S CB -0.219 63.082 63.200 0.168 0.000 0.996 116 S HN 0.575 nan 8.310 nan 0.000 0.478 117 L N 6.968 128.311 121.223 0.199 0.000 2.418 117 L HA 0.571 4.911 4.340 -0.000 0.000 0.274 117 L C -0.423 176.593 176.870 0.244 0.000 1.135 117 L CA -0.066 54.897 54.840 0.205 0.000 0.870 117 L CB 0.499 42.655 42.059 0.161 0.000 1.154 117 L HN 0.588 nan 8.230 nan 0.000 0.462 118 V N 1.075 121.134 119.914 0.242 0.000 2.962 118 V HA 0.732 4.852 4.120 -0.000 0.000 0.313 118 V C -0.391 175.809 176.094 0.176 0.000 1.099 118 V CA -0.519 61.897 62.300 0.193 0.000 0.971 118 V CB 2.075 34.019 31.823 0.201 0.000 1.028 118 V HN 0.684 nan 8.190 nan 0.000 0.430 119 S N 3.269 119.014 115.700 0.074 0.000 2.566 119 S HA 0.764 5.233 4.470 -0.000 0.000 0.298 119 S C -2.844 171.694 174.600 -0.104 0.000 1.083 119 S CA -1.232 56.911 58.200 -0.095 0.000 0.978 119 S CB 1.932 65.067 63.200 -0.109 0.000 1.073 119 S HN 0.813 nan 8.310 nan 0.000 0.491 120 P HA 0.109 nan 4.420 nan 0.000 0.268 120 P C 0.576 177.751 177.300 -0.209 0.000 1.208 120 P CA 0.090 62.994 63.100 -0.327 0.000 0.777 120 P CB 0.357 31.470 31.700 -0.978 0.000 0.875 121 T N -2.544 111.974 114.554 -0.060 0.000 2.975 121 T HA 0.313 4.663 4.350 -0.000 0.000 0.261 121 T C 1.319 176.043 174.700 0.039 0.000 0.984 121 T CA 0.420 62.519 62.100 -0.001 0.000 0.911 121 T CB -0.467 68.433 68.868 0.054 0.000 1.127 121 T HN 0.594 nan 8.240 nan 0.000 0.514 122 G N 1.823 110.684 108.800 0.101 0.000 2.168 122 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.263 122 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.263 122 G C -0.098 174.865 174.900 0.105 0.000 0.977 122 G CA 0.323 45.510 45.100 0.144 0.000 0.659 122 G HN 0.652 nan 8.290 nan 0.000 0.533 123 K N 0.570 121.037 120.400 0.112 0.000 2.559 123 K HA 0.504 4.824 4.320 -0.000 0.000 0.249 123 K C 0.181 176.909 176.600 0.212 0.000 0.958 123 K CA -0.830 55.522 56.287 0.108 0.000 0.901 123 K CB 2.578 35.082 32.500 0.007 0.000 1.124 123 K HN 0.046 nan 8.250 nan 0.000 0.437 124 V N 2.045 122.067 119.914 0.180 0.000 2.599 124 V HA 0.085 4.205 4.120 -0.000 0.000 0.300 124 V C 1.392 177.605 176.094 0.199 0.000 1.034 124 V CA 1.611 64.008 62.300 0.162 0.000 1.115 124 V CB 0.619 32.507 31.823 0.107 0.000 0.934 124 V HN 1.171 nan 8.190 nan 0.000 0.485 125 G N 4.113 112.962 108.800 0.081 0.000 2.213 125 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.226 125 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.226 125 G C -0.276 174.415 174.900 -0.348 0.000 0.992 125 G CA -0.137 44.887 45.100 -0.127 0.000 0.632 125 G HN 0.628 nan 8.290 nan 0.000 0.511 126 Y N -0.025 120.280 120.300 0.009 0.000 2.425 126 Y HA 0.605 5.155 4.550 -0.001 0.000 0.344 126 Y C 0.413 176.330 175.900 0.029 0.000 0.969 126 Y CA -0.635 57.468 58.100 0.006 0.000 1.052 126 Y CB 2.428 40.889 38.460 0.002 0.000 1.215 126 Y HN 0.554 nan 8.280 nan 0.000 0.451 127 V N -0.192 119.804 119.914 0.137 0.000 2.919 127 V HA 0.627 4.746 4.120 -0.000 0.000 0.316 127 V C -0.845 175.279 176.094 0.050 0.000 1.077 127 V CA -0.987 61.385 62.300 0.119 0.000 0.977 127 V CB 2.015 33.909 31.823 0.118 0.000 1.039 127 V HN 0.784 nan 8.190 nan 0.000 0.441 128 N N 2.443 121.156 118.700 0.022 0.000 2.439 128 N HA 0.373 5.112 4.740 -0.000 0.000 0.249 128 N C 0.390 175.841 175.510 -0.098 0.000 1.003 128 N CA -0.565 52.462 53.050 -0.039 0.000 0.942 128 N CB 0.918 39.387 38.487 -0.030 0.000 1.115 128 N HN 0.897 nan 8.380 nan 0.000 0.505 129 I N -0.150 120.276 120.570 -0.240 0.000 3.793 129 I HA 0.275 4.445 4.170 -0.000 0.000 0.315 129 I C -0.080 175.843 176.117 -0.324 0.000 1.275 129 I CA -0.178 60.811 61.300 -0.519 0.000 1.214 129 I CB 0.113 37.364 38.000 -1.247 0.000 1.018 129 I HN 0.164 nan 8.210 nan 0.000 0.439 130 S N 2.043 117.659 115.700 -0.139 0.000 3.983 130 S HA 0.122 4.592 4.470 -0.000 0.000 0.194 130 S C 1.237 175.850 174.600 0.021 0.000 1.464 130 S CA 0.318 58.496 58.200 -0.038 0.000 1.021 130 S CB -0.558 62.623 63.200 -0.031 0.000 1.424 130 S HN 0.661 nan 8.310 nan 0.000 0.473 131 T N -2.062 112.533 114.554 0.069 0.000 3.085 131 T HA 0.329 4.678 4.350 -0.000 0.000 0.264 131 T C 0.926 175.692 174.700 0.110 0.000 1.019 131 T CA -0.301 61.857 62.100 0.097 0.000 0.910 131 T CB 0.418 69.363 68.868 0.127 0.000 1.059 131 T HN 0.369 nan 8.240 nan 0.000 0.542 132 G N 2.058 110.923 108.800 0.110 0.000 2.557 132 G HA2 0.498 4.457 3.960 -0.000 0.000 0.292 132 G HA3 0.498 4.457 3.960 -0.000 0.000 0.292 132 G C -1.679 173.261 174.900 0.067 0.000 1.237 132 G CA -1.603 43.551 45.100 0.090 0.000 0.978 132 G HN -0.041 nan 8.290 nan 0.000 0.498 133 P HA -0.067 nan 4.420 nan 0.000 0.215 133 P C 1.824 179.148 177.300 0.040 0.000 1.157 133 P CA 1.021 64.148 63.100 0.046 0.000 0.868 133 P CB 0.167 31.891 31.700 0.040 0.000 0.788 134 I N -0.562 120.032 120.570 0.040 0.000 2.333 134 I HA -0.163 4.007 4.170 -0.000 0.000 0.246 134 I C 2.420 178.557 176.117 0.033 0.000 1.106 134 I CA 1.556 62.876 61.300 0.033 0.000 1.411 134 I CB -0.765 37.254 38.000 0.032 0.000 1.082 134 I HN 0.005 nan 8.210 nan 0.000 0.420 135 S N 1.527 117.252 115.700 0.041 0.000 2.383 135 S HA -0.100 4.370 4.470 -0.000 0.000 0.227 135 S C 2.186 176.802 174.600 0.027 0.000 1.026 135 S CA 0.845 59.067 58.200 0.036 0.000 0.981 135 S CB -0.579 62.650 63.200 0.049 0.000 0.818 135 S HN 0.386 nan 8.310 nan 0.000 0.472 136 A N 1.403 124.244 122.820 0.034 0.000 2.066 136 A HA 0.522 4.841 4.320 -0.000 0.000 0.218 136 A C 2.200 179.797 177.584 0.022 0.000 1.157 136 A CA 1.110 53.164 52.037 0.029 0.000 0.670 136 A CB -0.913 18.111 19.000 0.041 0.000 0.804 136 A HN 0.820 nan 8.150 nan 0.000 0.453 137 A N -0.258 122.576 122.820 0.023 0.000 2.251 137 A HA 0.466 4.786 4.320 -0.000 0.000 0.209 137 A C 1.337 178.929 177.584 0.013 0.000 1.187 137 A CA 0.525 52.572 52.037 0.018 0.000 0.823 137 A CB -0.804 18.207 19.000 0.019 0.000 0.846 137 A HN 0.627 nan 8.150 nan 0.000 0.486 138 G N -0.886 107.920 108.800 0.012 0.000 2.594 138 G HA2 0.302 4.262 3.960 -0.000 0.000 0.243 138 G HA3 0.302 4.262 3.960 -0.000 0.000 0.243 138 G C 0.440 175.342 174.900 0.003 0.000 1.229 138 G CA -0.210 44.894 45.100 0.007 0.000 0.843 138 G HN 0.470 nan 8.290 nan 0.000 0.578 139 E N 0.174 120.375 120.200 0.001 0.000 2.150 139 E HA -0.040 4.309 4.350 -0.000 0.000 0.193 139 E C 0.580 177.177 176.600 -0.005 0.000 0.985 139 E CA 0.931 57.330 56.400 -0.001 0.000 0.814 139 E CB 0.212 29.911 29.700 -0.001 0.000 0.752 139 E HN 0.625 nan 8.360 nan 0.000 0.466 140 E N 0.011 120.207 120.200 -0.006 0.000 2.359 140 E HA 0.319 4.669 4.350 -0.000 0.000 0.266 140 E C -0.631 175.962 176.600 -0.013 0.000 0.920 140 E CA -0.856 55.536 56.400 -0.012 0.000 0.788 140 E CB 1.668 31.360 29.700 -0.014 0.000 1.279 140 E HN -0.191 nan 8.360 nan 0.000 0.438 141 K N 0.255 120.643 120.400 -0.019 0.000 2.281 141 K HA 0.564 4.883 4.320 -0.000 0.000 0.242 141 K C -0.841 175.740 176.600 -0.031 0.000 0.971 141 K CA -0.975 55.298 56.287 -0.024 0.000 0.834 141 K CB 1.892 34.376 32.500 -0.027 0.000 1.181 141 K HN 0.563 nan 8.250 nan 0.000 0.435 142 A N 2.895 125.688 122.820 -0.045 0.000 2.376 142 A HA 0.356 4.676 4.320 -0.000 0.000 0.298 142 A C -0.224 177.327 177.584 -0.056 0.000 1.271 142 A CA -0.334 51.671 52.037 -0.054 0.000 0.926 142 A CB -0.500 18.452 19.000 -0.080 0.000 1.141 142 A HN 0.421 nan 8.150 nan 0.000 0.539 143 I N 4.876 125.435 120.570 -0.018 0.000 2.354 143 I HA 0.377 4.546 4.170 -0.000 0.000 0.286 143 I C 0.070 176.259 176.117 0.120 0.000 1.007 143 I CA -0.412 60.905 61.300 0.029 0.000 1.167 143 I CB 0.837 38.833 38.000 -0.006 0.000 1.320 143 I HN 0.468 nan 8.210 nan 0.000 0.458 144 V N 5.411 125.416 119.914 0.151 0.000 2.962 144 V HA 0.734 4.854 4.120 -0.000 0.000 0.313 144 V C -2.845 173.279 176.094 0.050 0.000 1.099 144 V CA -2.625 59.755 62.300 0.134 0.000 0.971 144 V CB 2.120 33.944 31.823 0.002 0.000 1.028 144 V HN 0.371 nan 8.190 nan 0.000 0.430 145 P HA 0.322 nan 4.420 nan 0.000 0.266 145 P C 1.044 178.207 177.300 -0.228 0.000 1.195 145 P CA 0.165 63.010 63.100 -0.424 0.000 0.768 145 P CB 0.552 32.050 31.700 -0.337 0.000 0.838 146 I N 2.147 122.576 120.570 -0.236 0.000 2.145 146 I HA -0.334 3.836 4.170 -0.000 0.000 0.244 146 I C 2.044 178.092 176.117 -0.115 0.000 1.075 146 I CA 1.907 63.125 61.300 -0.137 0.000 1.332 146 I CB -0.569 37.347 38.000 -0.140 0.000 1.033 146 I HN 0.433 nan 8.210 nan 0.000 0.410 147 K N 0.088 120.408 120.400 -0.134 0.000 2.148 147 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 147 K C 2.194 178.725 176.600 -0.115 0.000 1.050 147 K CA 1.878 58.090 56.287 -0.125 0.000 0.942 147 K CB -0.355 32.075 32.500 -0.116 0.000 0.724 147 K HN 0.559 nan 8.250 nan 0.000 0.446 148 T N -0.971 113.526 114.554 -0.095 0.000 2.867 148 T HA -0.031 4.319 4.350 -0.000 0.000 0.268 148 T C 2.113 176.795 174.700 -0.029 0.000 1.057 148 T CA 0.965 63.029 62.100 -0.061 0.000 1.136 148 T CB -0.137 68.705 68.868 -0.044 0.000 0.874 148 T HN 0.135 nan 8.240 nan 0.000 0.466 149 A N 1.618 124.423 122.820 -0.025 0.000 1.898 149 A HA 0.148 4.468 4.320 -0.000 0.000 0.216 149 A C 2.396 180.006 177.584 0.043 0.000 1.181 149 A CA 1.320 53.392 52.037 0.058 0.000 0.620 149 A CB -0.846 18.172 19.000 0.031 0.000 0.819 149 A HN 0.587 nan 8.150 nan 0.000 0.442 150 I N -0.137 120.365 120.570 -0.114 0.000 2.163 150 I HA -0.332 3.837 4.170 -0.000 0.000 0.243 150 I C 2.982 178.853 176.117 -0.410 0.000 1.085 150 I CA 1.232 62.291 61.300 -0.402 0.000 1.347 150 I CB -0.356 37.340 38.000 -0.507 0.000 1.044 150 I HN 0.372 nan 8.210 nan 0.000 0.408 151 A N 0.728 123.407 122.820 -0.236 0.000 1.902 151 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 151 A C 2.296 179.812 177.584 -0.113 0.000 1.181 151 A CA 1.378 53.308 52.037 -0.178 0.000 0.623 151 A CB -0.808 18.123 19.000 -0.114 0.000 0.818 151 A HN 0.376 nan 8.150 nan 0.000 0.443 152 L N -0.579 120.626 121.223 -0.030 0.000 2.046 152 L HA -0.168 4.171 4.340 -0.000 0.000 0.208 152 L C 2.540 179.367 176.870 -0.072 0.000 1.077 152 L CA 1.146 56.000 54.840 0.023 0.000 0.747 152 L CB -0.534 41.666 42.059 0.235 0.000 0.896 152 L HN 0.249 nan 8.230 nan 0.000 0.432 153 V N -0.265 119.611 119.914 -0.062 0.000 2.332 153 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 153 V C 2.606 178.643 176.094 -0.095 0.000 1.055 153 V CA 1.753 63.992 62.300 -0.102 0.000 1.038 153 V CB -0.673 31.189 31.823 0.065 0.000 0.651 153 V HN 0.407 nan 8.190 nan 0.000 0.450 154 R N -0.234 120.179 120.500 -0.145 0.000 2.091 154 R HA -0.098 4.242 4.340 -0.000 0.000 0.238 154 R C 1.058 177.308 176.300 -0.084 0.000 1.136 154 R CA 1.116 57.154 56.100 -0.103 0.000 0.959 154 R CB -0.348 29.856 30.300 -0.160 0.000 0.856 154 R HN 0.512 nan 8.270 nan 0.000 0.437 158 G N -0.345 108.407 108.800 -0.080 0.000 2.502 158 G HA2 0.479 4.439 3.960 -0.000 0.000 0.305 158 G HA3 0.479 4.439 3.960 -0.000 0.000 0.305 158 G C 0.372 175.204 174.900 -0.115 0.000 1.190 158 G CA -0.490 44.549 45.100 -0.102 0.000 0.933 158 G HN 0.069 nan 8.290 nan 0.000 0.503 159 N N -1.221 117.215 118.700 -0.441 0.000 2.227 159 N HA 0.094 4.834 4.740 -0.000 0.000 0.196 159 N C 0.312 175.011 175.510 -1.351 0.000 1.142 159 N CA 0.481 52.979 53.050 -0.921 0.000 0.887 159 N CB 0.875 38.330 38.487 -1.720 0.000 1.022 159 N HN 0.586 nan 8.380 nan 0.000 0.500 160 S N -0.328 114.812 115.700 -0.934 0.000 2.611 160 S HA 0.466 4.936 4.470 -0.000 0.000 0.268 160 S C -1.311 173.237 174.600 -0.088 0.000 1.156 160 S CA -0.909 56.812 58.200 -0.799 0.000 0.817 160 S CB 1.237 64.341 63.200 -0.160 0.000 1.122 160 S HN -0.009 nan 8.310 nan 0.000 0.466 161 L N 1.537 122.834 121.223 0.122 0.000 2.276 161 L HA 0.531 4.871 4.340 -0.000 0.000 0.286 161 L C 0.227 177.239 176.870 0.236 0.000 1.061 161 L CA -0.591 54.405 54.840 0.261 0.000 0.807 161 L CB 1.224 43.458 42.059 0.292 0.000 1.177 161 L HN 0.747 nan 8.230 nan 0.000 0.429 162 K N 3.428 123.967 120.400 0.232 0.000 2.263 162 K HA 0.159 4.479 4.320 -0.000 0.000 0.282 162 K C -1.243 175.522 176.600 0.276 0.000 1.089 162 K CA -0.536 55.869 56.287 0.197 0.000 0.907 162 K CB 0.493 33.055 32.500 0.104 0.000 1.148 162 K HN 0.365 nan 8.250 nan 0.000 0.470 163 Y N 6.229 126.606 120.300 0.129 0.000 2.454 163 Y HA 0.325 4.875 4.550 -0.000 0.000 0.345 163 Y C -1.619 174.371 175.900 0.151 0.000 0.970 163 Y CA -0.951 57.232 58.100 0.138 0.000 1.204 163 Y CB 0.205 38.759 38.460 0.156 0.000 1.122 163 Y HN 0.558 nan 8.280 nan 0.000 0.514 164 F N 8.921 128.715 119.950 -0.261 0.000 2.628 164 F HA 0.676 5.203 4.527 -0.001 0.000 0.309 164 F C -2.917 172.734 175.800 -0.248 0.000 1.108 164 F CA -2.200 55.658 58.000 -0.237 0.000 0.971 164 F CB 1.990 40.929 39.000 -0.102 0.000 1.279 164 F HN 0.259 nan 8.300 nan 0.000 0.441 168 G N 1.383 110.159 108.800 -0.040 0.000 2.601 168 G HA2 -0.366 3.593 3.960 -0.000 0.000 0.306 168 G HA3 -0.366 3.593 3.960 -0.000 0.000 0.306 168 G C 0.401 175.276 174.900 -0.042 0.000 1.172 168 G CA 0.376 45.456 45.100 -0.034 0.000 0.966 168 G HN 0.198 nan 8.290 nan 0.000 0.542 169 L N 2.017 123.224 121.223 -0.026 0.000 2.700 169 L HA 0.461 4.801 4.340 -0.000 0.000 0.234 169 L C 2.846 179.699 176.870 -0.028 0.000 1.156 169 L CA 0.779 55.612 54.840 -0.010 0.000 0.946 169 L CB 0.028 42.089 42.059 0.004 0.000 1.216 169 L HN 0.680 nan 8.230 nan 0.000 0.493 170 A N -0.707 122.066 122.820 -0.078 0.000 2.019 170 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 170 A C 1.417 178.790 177.584 -0.351 0.000 1.164 170 A CA 1.201 53.111 52.037 -0.212 0.000 0.644 170 A CB -0.388 18.445 19.000 -0.277 0.000 0.805 170 A HN 0.468 nan 8.150 nan 0.000 0.449 171 H N -1.521 117.560 119.070 0.018 0.000 2.505 171 H HA 0.191 4.747 4.556 -0.000 0.000 0.260 171 H C 1.102 176.521 175.328 0.152 0.000 1.168 171 H CA 0.160 56.252 56.048 0.074 0.000 0.945 171 H CB 0.198 29.996 29.762 0.061 0.000 1.800 171 H HN 0.758 nan 8.280 nan 0.000 0.586 172 E N 1.550 121.854 120.200 0.174 0.000 2.077 172 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 172 E C 1.884 178.613 176.600 0.214 0.000 0.989 172 E CA 1.062 57.590 56.400 0.213 0.000 0.800 172 E CB 0.382 30.158 29.700 0.126 0.000 0.746 172 E HN 0.522 nan 8.360 nan 0.000 0.452 173 E N 0.298 120.586 120.200 0.147 0.000 2.058 173 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 173 E C 1.932 178.609 176.600 0.129 0.000 0.997 173 E CA 1.425 57.891 56.400 0.110 0.000 0.801 173 E CB 0.052 29.802 29.700 0.082 0.000 0.746 173 E HN 0.315 nan 8.360 nan 0.000 0.450 174 E N -0.602 119.717 120.200 0.198 0.000 2.077 174 E HA -0.218 4.131 4.350 -0.000 0.000 0.193 174 E C 1.900 178.609 176.600 0.181 0.000 0.989 174 E CA 1.107 57.633 56.400 0.210 0.000 0.800 174 E CB -0.240 29.654 29.700 0.323 0.000 0.746 174 E HN 0.363 nan 8.360 nan 0.000 0.452 175 Y N 1.815 122.199 120.300 0.141 0.000 2.181 175 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 175 Y C 2.030 177.901 175.900 -0.048 0.000 1.146 175 Y CA 1.549 59.676 58.100 0.044 0.000 1.164 175 Y CB -0.066 38.503 38.460 0.181 0.000 0.982 175 Y HN -0.150 nan 8.280 nan 0.000 0.515 176 R N -0.120 120.299 120.500 -0.136 0.000 2.091 176 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 176 R C 2.522 178.694 176.300 -0.213 0.000 1.136 176 R CA 1.311 57.269 56.100 -0.236 0.000 0.959 176 R CB -0.663 29.587 30.300 -0.083 0.000 0.856 176 R HN 0.438 nan 8.270 nan 0.000 0.437 177 A N 0.582 123.325 122.820 -0.129 0.000 1.930 177 A HA -0.086 4.233 4.320 -0.000 0.000 0.217 177 A C 2.341 179.819 177.584 -0.176 0.000 1.175 177 A CA 1.178 53.143 52.037 -0.121 0.000 0.627 177 A CB -0.383 18.578 19.000 -0.065 0.000 0.815 177 A HN 0.111 nan 8.150 nan 0.000 0.443 178 V N -0.062 119.705 119.914 -0.245 0.000 2.343 178 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 178 V C 3.061 178.997 176.094 -0.263 0.000 1.051 178 V CA 1.902 64.024 62.300 -0.297 0.000 1.036 178 V CB -1.265 30.230 31.823 -0.548 0.000 0.654 178 V HN 0.606 nan 8.190 nan 0.000 0.451 179 A N -0.108 122.489 122.820 -0.372 0.000 1.908 179 A HA -0.297 4.022 4.320 -0.000 0.000 0.218 179 A C 2.350 179.819 177.584 -0.192 0.000 1.181 179 A CA 2.349 54.196 52.037 -0.317 0.000 0.627 179 A CB -0.514 18.191 19.000 -0.492 0.000 0.818 179 A HN 0.549 nan 8.150 nan 0.000 0.445 180 K N -0.392 119.900 120.400 -0.180 0.000 2.026 180 K HA -0.077 4.242 4.320 -0.000 0.000 0.208 180 K C 2.155 178.699 176.600 -0.093 0.000 1.048 180 K CA 1.266 57.481 56.287 -0.121 0.000 0.929 180 K CB -0.346 32.089 32.500 -0.107 0.000 0.713 180 K HN 0.354 nan 8.250 nan 0.000 0.439 181 A N 0.794 123.553 122.820 -0.102 0.000 1.902 181 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 181 A C 2.432 179.987 177.584 -0.047 0.000 1.181 181 A CA 1.619 53.607 52.037 -0.083 0.000 0.623 181 A CB -1.017 17.921 19.000 -0.103 0.000 0.818 181 A HN 0.572 nan 8.150 nan 0.000 0.443 182 C N -1.025 118.258 119.300 -0.029 0.000 2.413 182 C HA 0.013 4.473 4.460 -0.000 0.000 0.276 182 C C 3.329 178.343 174.990 0.041 0.000 1.248 182 C CA 0.842 59.892 59.018 0.053 0.000 1.742 182 C CB -1.363 26.418 27.740 0.068 0.000 2.017 182 C HN 0.705 nan 8.230 nan 0.000 0.481 183 A N 0.544 123.357 122.820 -0.012 0.000 1.883 183 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 183 A C 1.984 179.563 177.584 -0.009 0.000 1.186 183 A CA 1.856 53.885 52.037 -0.015 0.000 0.624 183 A CB -0.627 18.347 19.000 -0.043 0.000 0.822 183 A HN 0.721 nan 8.150 nan 0.000 0.444 184 E N -0.449 119.737 120.200 -0.023 0.000 2.153 184 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 184 E C 1.266 177.854 176.600 -0.019 0.000 0.988 184 E CA 1.097 57.482 56.400 -0.026 0.000 0.811 184 E CB -0.025 29.652 29.700 -0.040 0.000 0.746 184 E HN 0.514 nan 8.360 nan 0.000 0.466 185 E N -0.543 119.650 120.200 -0.011 0.000 2.474 185 E HA 0.065 4.414 4.350 -0.000 0.000 0.195 185 E C 0.810 177.432 176.600 0.036 0.000 1.039 185 E CA 0.412 56.803 56.400 -0.014 0.000 0.881 185 E CB 0.808 30.473 29.700 -0.059 0.000 0.970 185 E HN 0.319 nan 8.360 nan 0.000 0.486 186 G N 1.874 110.708 108.800 0.057 0.000 2.273 186 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.280 186 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.280 186 G C -0.263 174.740 174.900 0.171 0.000 1.047 186 G CA 0.382 45.529 45.100 0.079 0.000 0.869 186 G HN 0.231 nan 8.290 nan 0.000 0.502 187 F N 0.758 120.693 119.950 -0.025 0.000 2.522 187 F HA 0.779 5.306 4.527 -0.000 0.000 0.324 187 F C 0.450 176.264 175.800 0.023 0.000 1.077 187 F CA -0.733 57.255 58.000 -0.021 0.000 0.944 187 F CB 1.699 40.680 39.000 -0.032 0.000 1.175 187 F HN 0.394 nan 8.300 nan 0.000 0.468 188 A N 3.786 126.401 122.820 -0.342 0.000 2.304 188 A HA 0.659 4.978 4.320 -0.000 0.000 0.271 188 A C -1.730 175.835 177.584 -0.033 0.000 1.091 188 A CA -0.414 51.567 52.037 -0.093 0.000 0.812 188 A CB 0.840 19.921 19.000 0.134 0.000 1.056 188 A HN 0.734 nan 8.150 nan 0.000 0.489 189 L N 0.215 121.523 121.223 0.141 0.000 2.436 189 L HA 0.504 4.844 4.340 -0.000 0.000 0.268 189 L C -0.905 176.121 176.870 0.260 0.000 0.974 189 L CA 0.053 55.001 54.840 0.181 0.000 0.826 189 L CB 2.009 44.154 42.059 0.142 0.000 1.291 189 L HN 0.769 nan 8.230 nan 0.000 0.406 190 E N 6.332 126.699 120.200 0.278 0.000 2.593 190 E HA 0.320 4.669 4.350 -0.000 0.000 0.232 190 E C -2.547 174.175 176.600 0.202 0.000 1.026 190 E CA -1.786 54.789 56.400 0.291 0.000 0.772 190 E CB 1.000 30.915 29.700 0.359 0.000 1.310 190 E HN 0.382 nan 8.360 nan 0.000 0.413 191 P HA 0.037 nan 4.420 nan 0.000 0.271 191 P C -0.533 176.778 177.300 0.018 0.000 1.220 191 P CA 0.026 63.196 63.100 0.117 0.000 0.768 191 P CB 1.020 32.716 31.700 -0.007 0.000 0.848 192 T N 1.114 115.665 114.554 -0.005 0.000 2.933 192 T HA 0.695 5.045 4.350 -0.000 0.000 0.305 192 T C -0.354 174.424 174.700 0.130 0.000 1.092 192 T CA -0.360 61.725 62.100 -0.024 0.000 1.008 192 T CB 1.814 70.586 68.868 -0.160 0.000 1.102 192 T HN 0.659 nan 8.240 nan 0.000 0.469 193 G N 0.420 109.276 108.800 0.094 0.000 3.353 193 G HA2 0.429 4.389 3.960 -0.000 0.000 0.682 193 G HA3 0.429 4.389 3.960 -0.000 0.000 0.682 193 G C 0.651 175.557 174.900 0.009 0.000 1.192 193 G CA 0.068 45.240 45.100 0.121 0.000 1.111 193 G HN 1.816 nan 8.290 nan 0.000 0.493 194 G N 0.357 109.180 108.800 0.038 0.000 2.143 194 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.248 194 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.248 194 G C 0.570 175.480 174.900 0.018 0.000 0.991 194 G CA 0.485 45.597 45.100 0.021 0.000 0.689 194 G HN 1.578 nan 8.290 nan 0.000 0.522 195 I N 1.770 122.353 120.570 0.020 0.000 2.441 195 I HA 0.460 4.630 4.170 -0.000 0.000 0.287 195 I C 0.447 176.607 176.117 0.072 0.000 1.049 195 I CA -0.146 61.184 61.300 0.051 0.000 1.381 195 I CB 0.816 38.861 38.000 0.075 0.000 1.409 195 I HN 0.385 nan 8.210 nan 0.000 0.523 196 D N 4.341 124.793 120.400 0.087 0.000 2.732 196 D HA 0.277 4.916 4.640 -0.000 0.000 0.292 196 D C 0.131 176.476 176.300 0.075 0.000 1.135 196 D CA -0.843 53.194 54.000 0.061 0.000 1.071 196 D CB 0.791 41.617 40.800 0.043 0.000 1.457 196 D HN 0.214 nan 8.370 nan 0.000 0.547 197 K N -0.878 119.539 120.400 0.028 0.000 2.283 197 K HA -0.062 4.257 4.320 -0.000 0.000 0.202 197 K C 1.017 177.660 176.600 0.071 0.000 1.048 197 K CA 1.152 57.448 56.287 0.015 0.000 0.948 197 K CB 0.032 32.519 32.500 -0.021 0.000 0.742 197 K HN 0.344 nan 8.250 nan 0.000 0.458 198 E N 0.598 120.837 120.200 0.066 0.000 2.170 198 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 198 E C 1.121 177.769 176.600 0.080 0.000 0.981 198 E CA 1.011 57.449 56.400 0.064 0.000 0.830 198 E CB 0.021 29.746 29.700 0.041 0.000 0.775 198 E HN 0.404 nan 8.360 nan 0.000 0.470 199 N N -0.809 117.947 118.700 0.094 0.000 2.205 199 N HA -0.004 4.736 4.740 -0.000 0.000 0.201 199 N C 1.082 176.654 175.510 0.104 0.000 1.128 199 N CA -0.181 52.916 53.050 0.078 0.000 0.867 199 N CB -0.482 38.030 38.487 0.042 0.000 0.996 199 N HN 0.067 nan 8.380 nan 0.000 0.503 200 F N 1.787 121.740 119.950 0.005 0.000 2.095 200 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 200 F C 2.279 178.094 175.800 0.024 0.000 1.104 200 F CA 1.765 59.770 58.000 0.007 0.000 1.232 200 F CB -0.101 38.901 39.000 0.003 0.000 0.987 200 F HN 0.181 nan 8.300 nan 0.000 0.475 201 E N -0.643 119.627 120.200 0.117 0.000 2.058 201 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 201 E C 2.084 178.659 176.600 -0.041 0.000 0.997 201 E CA 2.039 58.453 56.400 0.023 0.000 0.801 201 E CB -0.341 29.424 29.700 0.109 0.000 0.746 201 E HN 0.398 nan 8.360 nan 0.000 0.450 202 T N 0.931 115.486 114.554 0.002 0.000 2.684 202 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 202 T C 1.855 176.562 174.700 0.012 0.000 1.036 202 T CA 1.488 63.598 62.100 0.016 0.000 1.148 202 T CB -0.194 68.696 68.868 0.037 0.000 0.863 202 T HN 0.196 nan 8.240 nan 0.000 0.436 203 I N 0.558 121.107 120.570 -0.036 0.000 2.252 203 I HA -0.123 4.047 4.170 -0.000 0.000 0.245 203 I C 2.374 178.499 176.117 0.013 0.000 1.102 203 I CA 0.840 62.139 61.300 -0.000 0.000 1.385 203 I CB -0.241 37.668 38.000 -0.152 0.000 1.064 203 I HN 0.104 nan 8.210 nan 0.000 0.414 204 V N 0.640 120.426 119.914 -0.212 0.000 2.379 204 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 204 V C 2.573 178.587 176.094 -0.133 0.000 1.044 204 V CA 1.740 63.912 62.300 -0.214 0.000 1.036 204 V CB -0.731 30.827 31.823 -0.441 0.000 0.664 204 V HN 0.377 nan 8.190 nan 0.000 0.453 205 R N 0.335 120.766 120.500 -0.115 0.000 2.091 205 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 205 R C 2.187 178.383 176.300 -0.173 0.000 1.136 205 R CA 1.819 57.837 56.100 -0.137 0.000 0.959 205 R CB -0.465 29.821 30.300 -0.024 0.000 0.856 205 R HN 0.463 nan 8.270 nan 0.000 0.437 206 I N 0.497 121.028 120.570 -0.065 0.000 2.151 206 I HA -0.320 3.850 4.170 -0.000 0.000 0.243 206 I C 2.457 178.461 176.117 -0.188 0.000 1.080 206 I CA 1.541 62.788 61.300 -0.088 0.000 1.339 206 I CB -0.424 37.585 38.000 0.014 0.000 1.039 206 I HN 0.383 nan 8.210 nan 0.000 0.409 207 A N 0.639 123.370 122.820 -0.148 0.000 1.898 207 A HA -0.140 4.179 4.320 -0.000 0.000 0.216 207 A C 2.282 179.752 177.584 -0.190 0.000 1.181 207 A CA 1.334 53.272 52.037 -0.165 0.000 0.620 207 A CB -0.787 18.192 19.000 -0.034 0.000 0.819 207 A HN 0.384 nan 8.150 nan 0.000 0.442 208 L N -0.791 120.275 121.223 -0.262 0.000 2.093 208 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 208 L C 2.582 179.138 176.870 -0.523 0.000 1.085 208 L CA 1.412 56.020 54.840 -0.386 0.000 0.755 208 L CB -0.581 41.151 42.059 -0.544 0.000 0.904 208 L HN 0.470 nan 8.230 nan 0.000 0.435 209 E N 0.249 120.100 120.200 -0.583 0.000 2.110 209 E HA -0.201 4.148 4.350 -0.000 0.000 0.193 209 E C 2.186 178.692 176.600 -0.157 0.000 0.988 209 E CA 1.086 57.277 56.400 -0.348 0.000 0.804 209 E CB -0.096 29.487 29.700 -0.195 0.000 0.745 209 E HN 0.484 nan 8.360 nan 0.000 0.458 210 A N 1.309 124.028 122.820 -0.169 0.000 2.172 210 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 210 A C 0.977 178.505 177.584 -0.092 0.000 1.154 210 A CA 0.885 52.847 52.037 -0.124 0.000 0.701 210 A CB -0.215 18.691 19.000 -0.158 0.000 0.789 210 A HN 0.350 nan 8.150 nan 0.000 0.465 211 N N -2.066 116.576 118.700 -0.097 0.000 2.862 211 N HA -0.135 4.604 4.740 -0.000 0.000 0.248 211 N C -0.525 174.957 175.510 -0.047 0.000 1.116 211 N CA 0.817 53.833 53.050 -0.055 0.000 0.727 211 N CB -2.147 36.325 38.487 -0.024 0.000 1.083 211 N HN 0.163 nan 8.380 nan 0.000 0.555 212 V N 1.095 120.972 119.914 -0.062 0.000 2.540 212 V HA -0.017 4.103 4.120 -0.000 0.000 0.297 212 V C 1.763 177.845 176.094 -0.020 0.000 1.024 212 V CA 0.579 62.860 62.300 -0.032 0.000 1.105 212 V CB 1.362 33.167 31.823 -0.030 0.000 0.938 212 V HN 0.340 nan 8.190 nan 0.000 0.482 213 E N 3.694 123.887 120.200 -0.012 0.000 2.046 213 E HA -0.085 4.265 4.350 -0.000 0.000 0.190 213 E C 0.632 177.200 176.600 -0.054 0.000 0.982 213 E CA 1.385 57.766 56.400 -0.032 0.000 0.800 213 E CB 0.225 29.901 29.700 -0.039 0.000 0.756 213 E HN 0.796 nan 8.360 nan 0.000 0.449 214 Q N 0.115 119.894 119.800 -0.035 0.000 2.325 214 Q HA 0.482 4.822 4.340 -0.000 0.000 0.270 214 Q C -1.479 174.633 176.000 0.185 0.000 1.020 214 Q CA -0.732 55.046 55.803 -0.041 0.000 0.785 214 Q CB 2.758 31.321 28.738 -0.292 0.000 1.259 214 Q HN -0.061 nan 8.270 nan 0.000 0.452 215 V N 3.842 123.926 119.914 0.282 0.000 2.540 215 V HA 0.523 4.643 4.120 -0.000 0.000 0.302 215 V C -0.318 175.949 176.094 0.288 0.000 1.035 215 V CA -0.638 61.816 62.300 0.256 0.000 0.873 215 V CB 1.901 33.811 31.823 0.145 0.000 0.992 215 V HN 0.695 nan 8.190 nan 0.000 0.428 216 I N 6.523 127.243 120.570 0.251 0.000 2.502 216 I HA 0.325 4.494 4.170 -0.000 0.000 0.276 216 I C -2.480 173.768 176.117 0.219 0.000 1.057 216 I CA -1.742 59.641 61.300 0.138 0.000 1.163 216 I CB 2.041 40.090 38.000 0.081 0.000 1.288 216 I HN 0.407 nan 8.210 nan 0.000 0.479 217 P HA 0.115 nan 4.420 nan 0.000 0.276 217 P C -0.857 176.562 177.300 0.197 0.000 1.230 217 P CA 0.220 63.441 63.100 0.202 0.000 0.776 217 P CB 0.618 32.411 31.700 0.155 0.000 0.888 218 H N 1.068 120.105 119.070 -0.054 0.000 2.488 218 H HA 0.397 4.952 4.556 -0.000 0.000 0.322 218 H C -0.497 174.643 175.328 -0.314 0.000 1.078 218 H CA -0.991 54.913 56.048 -0.239 0.000 1.260 218 H CB 1.636 31.108 29.762 -0.482 0.000 1.425 218 H HN 0.142 nan 8.280 nan 0.000 0.471 219 V N 5.319 125.165 119.914 -0.114 0.000 2.447 219 V HA 0.094 4.214 4.120 -0.000 0.000 0.292 219 V C -0.819 175.361 176.094 0.145 0.000 1.021 219 V CA -0.625 61.658 62.300 -0.028 0.000 0.850 219 V CB 0.649 32.475 31.823 0.006 0.000 1.005 219 V HN 0.672 nan 8.190 nan 0.000 0.426 220 Y N 2.611 122.953 120.300 0.071 0.000 2.756 220 Y HA 0.132 4.682 4.550 -0.001 0.000 0.131 220 Y C 2.482 178.403 175.900 0.036 0.000 0.878 220 Y CA 0.365 58.496 58.100 0.052 0.000 1.735 220 Y CB -0.893 37.611 38.460 0.073 0.000 1.144 220 Y HN 0.573 nan 8.280 nan 0.000 0.356 221 S N 0.129 115.972 115.700 0.238 0.000 2.447 221 S HA -0.130 4.339 4.470 -0.000 0.000 0.233 221 S C 1.866 176.518 174.600 0.086 0.000 1.006 221 S CA 1.145 59.420 58.200 0.126 0.000 0.957 221 S CB -1.010 62.256 63.200 0.110 0.000 0.773 221 S HN 0.475 nan 8.310 nan 0.000 0.507 222 S N 2.563 118.315 115.700 0.086 0.000 2.469 222 S HA -0.007 4.462 4.470 -0.000 0.000 0.238 222 S C 1.543 176.162 174.600 0.033 0.000 0.998 222 S CA 0.818 59.049 58.200 0.052 0.000 0.957 222 S CB -1.024 62.205 63.200 0.047 0.000 0.764 222 S HN 0.918 nan 8.310 nan 0.000 0.514 223 I N -2.316 118.275 120.570 0.036 0.000 3.936 223 I HA 0.543 4.713 4.170 -0.000 0.000 0.330 223 I C -0.327 175.801 176.117 0.018 0.000 1.509 223 I CA -0.647 60.660 61.300 0.012 0.000 1.126 223 I CB 0.093 38.086 38.000 -0.012 0.000 1.115 223 I HN 0.051 nan 8.210 nan 0.000 0.424 224 I N 2.363 122.951 120.570 0.030 0.000 2.336 224 I HA 0.215 4.385 4.170 -0.000 0.000 0.292 224 I C -0.201 175.926 176.117 0.017 0.000 0.991 224 I CA -0.424 60.891 61.300 0.025 0.000 1.227 224 I CB 1.098 39.117 38.000 0.031 0.000 1.366 224 I HN 0.074 nan 8.210 nan 0.000 0.466 225 D N 6.392 126.799 120.400 0.011 0.000 2.401 225 D HA 0.011 4.651 4.640 -0.000 0.000 0.254 225 D C 0.947 177.252 176.300 0.008 0.000 1.192 225 D CA 0.375 54.380 54.000 0.008 0.000 0.885 225 D CB 1.001 41.804 40.800 0.005 0.000 1.147 225 D HN 0.404 nan 8.370 nan 0.000 0.478 226 K N 2.880 123.285 120.400 0.008 0.000 2.097 226 K HA -0.163 4.157 4.320 -0.000 0.000 0.205 226 K C 1.803 178.405 176.600 0.004 0.000 1.050 226 K CA 1.296 57.588 56.287 0.008 0.000 0.938 226 K CB 0.110 32.615 32.500 0.008 0.000 0.718 226 K HN 0.654 nan 8.250 nan 0.000 0.442 227 E N 0.752 120.954 120.200 0.003 0.000 2.028 227 E HA -0.163 4.186 4.350 -0.000 0.000 0.191 227 E C 1.846 178.447 176.600 0.000 0.000 0.988 227 E CA 1.823 58.224 56.400 0.001 0.000 0.799 227 E CB -0.385 29.316 29.700 0.001 0.000 0.755 227 E HN 0.256 nan 8.360 nan 0.000 0.447 228 T N -3.604 110.951 114.554 0.001 0.000 3.054 228 T HA 0.301 4.651 4.350 -0.000 0.000 0.259 228 T C 1.687 176.387 174.700 0.001 0.000 1.092 228 T CA 0.667 62.768 62.100 0.001 0.000 1.121 228 T CB 0.230 69.099 68.868 0.001 0.000 0.912 228 T HN 0.541 nan 8.240 nan 0.000 0.489 229 G N 1.709 110.511 108.800 0.003 0.000 2.179 229 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.260 229 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.260 229 G C -0.081 174.824 174.900 0.008 0.000 0.977 229 G CA -0.053 45.050 45.100 0.004 0.000 0.641 229 G HN 0.618 nan 8.290 nan 0.000 0.533 230 N N 1.189 119.895 118.700 0.010 0.000 2.499 230 N HA 0.398 5.138 4.740 -0.000 0.000 0.281 230 N C 0.342 175.861 175.510 0.015 0.000 1.098 230 N CA 0.208 53.267 53.050 0.014 0.000 0.979 230 N CB 0.924 39.418 38.487 0.012 0.000 1.121 230 N HN 0.143 nan 8.380 nan 0.000 0.466 231 T N 2.508 117.074 114.554 0.019 0.000 2.867 231 T HA 0.006 4.356 4.350 -0.000 0.000 0.297 231 T C 0.614 175.319 174.700 0.009 0.000 0.989 231 T CA 0.216 62.327 62.100 0.018 0.000 1.159 231 T CB 0.190 69.072 68.868 0.024 0.000 0.928 231 T HN 0.131 nan 8.240 nan 0.000 0.538 232 K N 2.972 123.373 120.400 0.001 0.000 2.339 232 K HA 0.179 4.498 4.320 -0.000 0.000 0.286 232 K C 1.250 177.842 176.600 -0.013 0.000 1.050 232 K CA -0.521 55.762 56.287 -0.006 0.000 0.956 232 K CB 0.963 33.457 32.500 -0.010 0.000 0.990 232 K HN 0.307 nan 8.250 nan 0.000 0.475 233 V N 2.774 122.682 119.914 -0.010 0.000 2.515 233 V HA -0.245 3.874 4.120 -0.000 0.000 0.250 233 V C 2.306 178.384 176.094 -0.026 0.000 1.058 233 V CA 1.729 64.020 62.300 -0.014 0.000 1.064 233 V CB -0.727 31.092 31.823 -0.006 0.000 0.675 233 V HN 0.856 nan 8.190 nan 0.000 0.461 234 E N 2.000 122.185 120.200 -0.025 0.000 2.204 234 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 234 E C 2.125 178.697 176.600 -0.046 0.000 0.989 234 E CA 1.599 57.981 56.400 -0.031 0.000 0.824 234 E CB -0.386 29.301 29.700 -0.023 0.000 0.756 234 E HN 0.526 nan 8.360 nan 0.000 0.477 235 A N 1.756 124.546 122.820 -0.049 0.000 1.897 235 A HA -0.023 4.297 4.320 -0.000 0.000 0.215 235 A C 2.590 180.109 177.584 -0.110 0.000 1.181 235 A CA 1.285 53.277 52.037 -0.074 0.000 0.620 235 A CB -0.675 18.288 19.000 -0.062 0.000 0.821 235 A HN 0.141 nan 8.150 nan 0.000 0.443 236 V N 0.333 120.194 119.914 -0.088 0.000 2.295 236 V HA -0.296 3.823 4.120 -0.000 0.000 0.246 236 V C 2.617 178.648 176.094 -0.105 0.000 1.049 236 V CA 2.230 64.471 62.300 -0.100 0.000 1.024 236 V CB -0.889 30.898 31.823 -0.060 0.000 0.648 236 V HN 0.520 nan 8.190 nan 0.000 0.447 237 R N -0.139 120.314 120.500 -0.078 0.000 2.096 237 R HA -0.271 4.069 4.340 -0.000 0.000 0.240 237 R C 2.399 178.647 176.300 -0.087 0.000 1.139 237 R CA 2.148 58.205 56.100 -0.072 0.000 0.952 237 R CB -0.430 29.840 30.300 -0.051 0.000 0.854 237 R HN 0.652 nan 8.270 nan 0.000 0.436 238 E N 0.886 121.029 120.200 -0.095 0.000 2.077 238 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 238 E C 2.051 178.564 176.600 -0.144 0.000 0.989 238 E CA 0.914 57.256 56.400 -0.096 0.000 0.800 238 E CB 0.019 29.666 29.700 -0.089 0.000 0.746 238 E HN 0.279 nan 8.360 nan 0.000 0.452 239 L N 0.340 121.412 121.223 -0.252 0.000 2.027 239 L HA -0.176 4.164 4.340 -0.000 0.000 0.206 239 L C 2.659 179.413 176.870 -0.193 0.000 1.074 239 L CA 0.533 55.101 54.840 -0.453 0.000 0.745 239 L CB -0.450 41.201 42.059 -0.679 0.000 0.898 239 L HN 0.265 nan 8.230 nan 0.000 0.433 240 L N 0.331 121.469 121.223 -0.142 0.000 2.083 240 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 240 L C 2.653 179.452 176.870 -0.118 0.000 1.083 240 L CA 1.929 56.704 54.840 -0.109 0.000 0.752 240 L CB -0.656 41.343 42.059 -0.100 0.000 0.899 240 L HN 0.161 nan 8.230 nan 0.000 0.433 241 A N -1.160 121.607 122.820 -0.088 0.000 1.908 241 A HA -0.178 4.141 4.320 -0.000 0.000 0.218 241 A C 2.266 179.834 177.584 -0.027 0.000 1.181 241 A CA 2.135 54.132 52.037 -0.067 0.000 0.627 241 A CB -1.155 17.819 19.000 -0.044 0.000 0.818 241 A HN 0.305 nan 8.150 nan 0.000 0.445 242 V N -0.432 119.501 119.914 0.032 0.000 2.295 242 V HA -0.242 3.877 4.120 -0.000 0.000 0.246 242 V C 2.577 178.746 176.094 0.125 0.000 1.049 242 V CA 1.988 64.364 62.300 0.127 0.000 1.024 242 V CB -0.839 31.161 31.823 0.294 0.000 0.648 242 V HN 0.376 nan 8.190 nan 0.000 0.447 243 V N -0.244 119.746 119.914 0.127 0.000 2.287 243 V HA -0.311 3.808 4.120 -0.000 0.000 0.248 243 V C 2.474 178.536 176.094 -0.052 0.000 1.053 243 V CA 2.181 64.521 62.300 0.068 0.000 1.027 243 V CB -0.707 31.134 31.823 0.029 0.000 0.646 243 V HN 0.547 nan 8.190 nan 0.000 0.447 244 K N -0.069 120.184 120.400 -0.245 0.000 2.026 244 K HA -0.237 4.083 4.320 -0.000 0.000 0.208 244 K C 2.293 178.885 176.600 -0.012 0.000 1.048 244 K CA 1.708 57.813 56.287 -0.304 0.000 0.929 244 K CB -0.273 31.987 32.500 -0.401 0.000 0.713 244 K HN 0.360 nan 8.250 nan 0.000 0.439 245 K N 1.349 121.748 120.400 -0.001 0.000 2.020 245 K HA -0.174 4.146 4.320 -0.000 0.000 0.212 245 K C 2.131 178.780 176.600 0.081 0.000 1.050 245 K CA 1.400 57.710 56.287 0.038 0.000 0.929 245 K CB -0.123 32.400 32.500 0.038 0.000 0.714 245 K HN 0.052 nan 8.250 nan 0.000 0.443 246 L N 0.327 121.621 121.223 0.119 0.000 2.027 246 L HA -0.164 4.176 4.340 -0.000 0.000 0.206 246 L C 2.428 179.462 176.870 0.274 0.000 1.074 246 L CA 0.847 55.813 54.840 0.211 0.000 0.745 246 L CB -0.343 41.827 42.059 0.186 0.000 0.898 246 L HN 0.066 nan 8.230 nan 0.000 0.433 247 V N -0.395 119.659 119.914 0.233 0.000 2.427 247 V HA -0.242 3.877 4.120 -0.000 0.000 0.248 247 V C 2.035 178.244 176.094 0.192 0.000 1.051 247 V CA 1.605 64.057 62.300 0.252 0.000 1.048 247 V CB -0.523 31.496 31.823 0.327 0.000 0.666 247 V HN 0.404 nan 8.190 nan 0.000 0.456 248 D N 0.242 120.754 120.400 0.187 0.000 2.182 248 D HA -0.224 4.416 4.640 -0.000 0.000 0.201 248 D C 2.305 178.620 176.300 0.025 0.000 0.986 248 D CA 1.766 55.830 54.000 0.106 0.000 0.847 248 D CB -0.165 40.697 40.800 0.104 0.000 0.942 248 D HN 0.757 nan 8.370 nan 0.000 0.467 249 Q N -1.168 118.622 119.800 -0.016 0.000 2.204 249 Q HA -0.085 4.255 4.340 -0.000 0.000 0.198 249 Q C 0.429 176.254 176.000 -0.291 0.000 0.946 249 Q CA 0.469 56.163 55.803 -0.181 0.000 0.859 249 Q CB -0.121 28.451 28.738 -0.276 0.000 0.946 249 Q HN 0.191 nan 8.270 nan 0.000 0.474 250 Y N 0.000 120.311 120.300 0.019 0.000 2.660 250 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 250 Y CA 0.000 58.105 58.100 0.009 0.000 1.940 250 Y CB 0.000 38.467 38.460 0.011 0.000 1.050 250 Y HN 0.000 nan 8.280 nan 0.000 0.758