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 2nww_1_B DATA FIRST_RESID 10 DATA SEQUENCE YPVLQKILIG LILGAIVGLI LGHYGYAHAV HTYVKPFGDL FVRLLKMLVM DATA SEQUENCE PIVFASLVVG AASISPARLG RVGVKIVVYY LLTSAFAVTL GIIMARLFNP DATA SEQUENCE GAGIHLAVGG QQFQPHQAPP LVHILLDIVP TNPFGALANG QVLPTIFFAI DATA SEQUENCE ILGIAITYLM NSENEKVRKS AETLLDAING LAEAMYKIVN GVMQYAPIGV DATA SEQUENCE FALIAYVMAE QGVHVVGELA KVTAAVYVGL TLQILLVYFV LLKIYGIDPI DATA SEQUENCE SFIKHAKDAM LTAFVTRSSS GTLPVTMRVA KEMGISEGIY SFTLPLGATI DATA SEQUENCE NMDGTALYQG VCTFFIANAL GSHLTVGQQL TIVLTAVLAS IGTAGVPGAG DATA SEQUENCE AIMLAMVLHS VGLPLTDPNV AAAYAMILGI DAILDMGRTM VNVTGDLTGT DATA SEQUENCE AIVAKTE 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 10 Y HA 0.000 nan 4.550 nan 0.000 0.201 10 Y C 0.000 175.885 175.900 -0.026 0.000 1.272 10 Y CA 0.000 58.085 58.100 -0.025 0.000 1.940 10 Y CB 0.000 38.444 38.460 -0.026 0.000 1.050 11 P HA -0.133 nan 4.420 nan 0.000 0.217 11 P C 0.219 177.546 177.300 0.044 0.000 1.162 11 P CA 2.236 65.369 63.100 0.054 0.000 0.901 11 P CB -0.245 31.475 31.700 0.034 0.000 0.793 12 V N -1.853 118.089 119.914 0.047 0.000 3.584 12 V HA -0.261 3.861 4.120 0.003 0.000 0.512 12 V C 1.027 177.120 176.094 -0.000 0.000 0.682 12 V CA 0.746 63.061 62.300 0.024 0.000 2.064 12 V CB -1.640 30.213 31.823 0.051 0.000 2.486 12 V HN 0.315 nan 8.190 nan 0.000 0.511 13 L N -0.418 120.796 121.223 -0.015 0.000 5.259 13 L HA -0.369 3.973 4.340 0.003 0.000 0.412 13 L C 1.711 178.565 176.870 -0.027 0.000 0.876 13 L CA 3.029 57.855 54.840 -0.023 0.000 1.762 13 L CB -1.755 40.291 42.059 -0.021 0.000 1.441 13 L HN 2.335 nan 8.230 nan 0.000 0.615 14 Q N -0.008 119.779 119.800 -0.022 0.000 2.352 14 Q HA 0.343 4.685 4.340 0.003 0.000 0.212 14 Q C 2.206 178.189 176.000 -0.028 0.000 0.888 14 Q CA 1.446 57.236 55.803 -0.022 0.000 0.934 14 Q CB -0.168 28.561 28.738 -0.014 0.000 1.093 14 Q HN 0.637 nan 8.270 nan 0.000 0.523 15 K N 0.423 120.802 120.400 -0.035 0.000 2.155 15 K HA 0.191 4.512 4.320 0.003 0.000 0.203 15 K C 2.035 178.591 176.600 -0.074 0.000 1.052 15 K CA 1.153 57.406 56.287 -0.057 0.000 0.948 15 K CB -0.432 32.026 32.500 -0.070 0.000 0.728 15 K HN 0.507 nan 8.250 nan 0.000 0.448 16 I N 0.831 121.357 120.570 -0.073 0.000 2.179 16 I HA -0.192 3.980 4.170 0.003 0.000 0.242 16 I C 2.372 178.461 176.117 -0.047 0.000 1.088 16 I CA 1.125 62.377 61.300 -0.081 0.000 1.357 16 I CB -0.101 37.852 38.000 -0.080 0.000 1.051 16 I HN 0.210 nan 8.210 nan 0.000 0.409 17 L N -0.402 120.799 121.223 -0.037 0.000 2.201 17 L HA -0.180 4.162 4.340 0.003 0.000 0.212 17 L C 2.734 179.596 176.870 -0.013 0.000 1.105 17 L CA 1.274 56.098 54.840 -0.026 0.000 0.775 17 L CB -0.823 41.219 42.059 -0.028 0.000 0.913 17 L HN 0.360 nan 8.230 nan 0.000 0.440 18 I N -0.580 119.978 120.570 -0.020 0.000 2.252 18 I HA -0.038 4.133 4.170 0.003 0.000 0.245 18 I C 2.513 178.632 176.117 0.002 0.000 1.102 18 I CA 2.039 63.329 61.300 -0.016 0.000 1.385 18 I CB -1.821 36.158 38.000 -0.035 0.000 1.064 18 I HN 0.319 nan 8.210 nan 0.000 0.414 19 G N -0.480 108.320 108.800 -0.001 0.000 2.448 19 G HA2 -0.035 3.926 3.960 0.003 0.000 0.218 19 G HA3 -0.035 3.926 3.960 0.003 0.000 0.218 19 G C 1.673 176.662 174.900 0.149 0.000 1.135 19 G CA 1.014 46.157 45.100 0.071 0.000 0.784 19 G HN 0.605 nan 8.290 nan 0.000 0.543 20 L N 0.610 121.875 121.223 0.069 0.000 2.005 20 L HA 0.072 4.414 4.340 0.003 0.000 0.207 20 L C 2.551 179.464 176.870 0.071 0.000 1.072 20 L CA 1.344 56.223 54.840 0.065 0.000 0.744 20 L CB -0.192 41.881 42.059 0.024 0.000 0.895 20 L HN 0.053 nan 8.230 nan 0.000 0.433 21 I N -0.500 120.102 120.570 0.053 0.000 2.202 21 I HA -0.243 3.928 4.170 0.003 0.000 0.242 21 I C 2.501 178.662 176.117 0.074 0.000 1.091 21 I CA 1.145 62.475 61.300 0.049 0.000 1.368 21 I CB -1.363 36.653 38.000 0.027 0.000 1.058 21 I HN 0.333 nan 8.210 nan 0.000 0.410 22 L N 1.154 122.437 121.223 0.099 0.000 2.141 22 L HA -0.107 4.235 4.340 0.003 0.000 0.209 22 L C 2.338 179.346 176.870 0.229 0.000 1.094 22 L CA 1.999 56.921 54.840 0.136 0.000 0.763 22 L CB -1.105 41.019 42.059 0.109 0.000 0.908 22 L HN 0.243 nan 8.230 nan 0.000 0.437 23 G N -0.891 108.071 108.800 0.271 0.000 2.394 23 G HA2 -0.196 3.765 3.960 0.003 0.000 0.214 23 G HA3 -0.196 3.765 3.960 0.003 0.000 0.214 23 G C 1.671 176.560 174.900 -0.018 0.000 1.176 23 G CA 0.686 45.828 45.100 0.070 0.000 0.786 23 G HN 0.527 nan 8.290 nan 0.000 0.533 24 A N 0.493 123.333 122.820 0.032 0.000 1.978 24 A HA 0.059 4.381 4.320 0.003 0.000 0.220 24 A C 2.353 179.959 177.584 0.036 0.000 1.170 24 A CA 1.241 53.298 52.037 0.034 0.000 0.636 24 A CB -0.291 18.747 19.000 0.064 0.000 0.810 24 A HN 0.410 nan 8.150 nan 0.000 0.448 25 I N -1.627 118.972 120.570 0.049 0.000 2.339 25 I HA -0.099 4.073 4.170 0.003 0.000 0.245 25 I C 2.245 178.392 176.117 0.050 0.000 1.096 25 I CA 0.716 62.045 61.300 0.048 0.000 1.408 25 I CB -0.172 37.857 38.000 0.049 0.000 1.092 25 I HN 0.166 nan 8.210 nan 0.000 0.423 26 V N 0.954 120.905 119.914 0.061 0.000 2.970 26 V HA -0.073 4.049 4.120 0.003 0.000 0.260 26 V C 2.146 178.258 176.094 0.029 0.000 1.100 26 V CA 1.950 64.288 62.300 0.064 0.000 1.122 26 V CB -0.351 31.555 31.823 0.139 0.000 0.721 26 V HN 0.517 nan 8.190 nan 0.000 0.483 27 G N -0.790 108.006 108.800 -0.005 0.000 2.411 27 G HA2 -0.129 3.833 3.960 0.003 0.000 0.213 27 G HA3 -0.129 3.833 3.960 0.003 0.000 0.213 27 G C 1.382 176.299 174.900 0.027 0.000 1.166 27 G CA 0.623 45.716 45.100 -0.013 0.000 0.802 27 G HN 0.419 nan 8.290 nan 0.000 0.533 28 L N 0.371 121.617 121.223 0.039 0.000 2.141 28 L HA 0.149 4.490 4.340 0.003 0.000 0.209 28 L C 2.497 179.436 176.870 0.116 0.000 1.094 28 L CA 1.027 55.910 54.840 0.072 0.000 0.763 28 L CB -0.363 41.733 42.059 0.063 0.000 0.908 28 L HN 0.122 nan 8.230 nan 0.000 0.437 29 I N -1.408 119.220 120.570 0.097 0.000 2.353 29 I HA -0.225 3.947 4.170 0.003 0.000 0.248 29 I C 2.160 178.375 176.117 0.164 0.000 1.119 29 I CA 1.161 62.531 61.300 0.118 0.000 1.417 29 I CB -0.224 37.810 38.000 0.058 0.000 1.078 29 I HN 0.127 nan 8.210 nan 0.000 0.421 30 L N -0.574 120.728 121.223 0.131 0.000 2.395 30 L HA -0.003 4.339 4.340 0.003 0.000 0.218 30 L C 2.371 179.364 176.870 0.206 0.000 1.130 30 L CA 0.853 55.804 54.840 0.185 0.000 0.826 30 L CB -0.842 41.296 42.059 0.130 0.000 0.941 30 L HN 0.328 nan 8.230 nan 0.000 0.451 31 G N -1.511 107.373 108.800 0.141 0.000 2.404 31 G HA2 -0.228 3.733 3.960 0.003 0.000 0.214 31 G HA3 -0.228 3.733 3.960 0.003 0.000 0.214 31 G C 1.418 176.360 174.900 0.070 0.000 1.189 31 G CA 0.186 45.331 45.100 0.075 0.000 0.789 31 G HN 0.331 nan 8.290 nan 0.000 0.533 32 H N -1.375 117.749 119.070 0.090 0.000 2.559 32 H HA 0.077 4.635 4.556 0.003 0.000 0.273 32 H C 1.304 176.682 175.328 0.084 0.000 1.000 32 H CA 0.556 56.647 56.048 0.072 0.000 1.195 32 H CB 0.315 30.121 29.762 0.073 0.000 1.368 32 H HN 0.459 nan 8.280 nan 0.000 0.592 33 Y N -0.717 119.662 120.300 0.132 0.000 2.478 33 Y HA 0.150 4.701 4.550 0.003 0.000 0.261 33 Y C 1.747 177.647 175.900 -0.001 0.000 1.127 33 Y CA 0.695 58.861 58.100 0.110 0.000 1.288 33 Y CB 0.939 39.511 38.460 0.187 0.000 1.084 33 Y HN 0.307 nan 8.280 nan 0.000 0.530 34 G N -1.121 107.713 108.800 0.057 0.000 2.184 34 G HA2 -0.296 3.666 3.960 0.003 0.000 0.206 34 G HA3 -0.296 3.666 3.960 0.003 0.000 0.206 34 G C -0.025 174.763 174.900 -0.187 0.000 0.995 34 G CA -0.208 44.808 45.100 -0.140 0.000 0.651 34 G HN 0.338 nan 8.290 nan 0.000 0.511 35 Y N 1.447 121.812 120.300 0.108 0.000 2.960 35 Y HA 0.549 5.101 4.550 0.003 0.000 0.393 35 Y C 2.038 177.991 175.900 0.090 0.000 1.118 35 Y CA 0.369 58.529 58.100 0.100 0.000 1.850 35 Y CB 0.228 38.745 38.460 0.095 0.000 1.827 35 Y HN 0.346 nan 8.280 nan 0.000 0.463 36 A N -0.657 122.255 122.820 0.154 0.000 1.897 36 A HA -0.180 4.141 4.320 0.003 0.000 0.215 36 A C 1.388 179.064 177.584 0.153 0.000 1.181 36 A CA 1.426 53.521 52.037 0.096 0.000 0.620 36 A CB -0.356 18.653 19.000 0.016 0.000 0.821 36 A HN 0.632 nan 8.150 nan 0.000 0.443 37 H N -1.074 118.077 119.070 0.135 0.000 2.539 37 H HA 0.433 4.991 4.556 0.003 0.000 0.267 37 H C 1.922 177.409 175.328 0.267 0.000 0.982 37 H CA 0.532 56.704 56.048 0.207 0.000 1.146 37 H CB 0.216 30.051 29.762 0.122 0.000 1.382 37 H HN 0.496 nan 8.280 nan 0.000 0.577 38 A N -0.391 122.638 122.820 0.348 0.000 1.975 38 A HA -0.015 4.307 4.320 0.003 0.000 0.215 38 A C 2.263 180.017 177.584 0.283 0.000 1.170 38 A CA 0.750 52.982 52.037 0.325 0.000 0.656 38 A CB -0.324 18.872 19.000 0.326 0.000 0.821 38 A HN 0.250 nan 8.150 nan 0.000 0.449 39 V N -0.253 119.810 119.914 0.249 0.000 2.379 39 V HA -0.243 3.879 4.120 0.003 0.000 0.245 39 V C 2.437 178.676 176.094 0.242 0.000 1.044 39 V CA 1.996 64.432 62.300 0.227 0.000 1.036 39 V CB -0.962 30.985 31.823 0.205 0.000 0.664 39 V HN 0.794 nan 8.190 nan 0.000 0.453 40 H N 0.492 119.657 119.070 0.159 0.000 2.387 40 H HA -0.174 4.384 4.556 0.003 0.000 0.299 40 H C 1.895 177.173 175.328 -0.083 0.000 1.099 40 H CA 1.874 57.921 56.048 -0.002 0.000 1.315 40 H CB 0.149 29.835 29.762 -0.127 0.000 1.380 40 H HN 0.543 nan 8.280 nan 0.000 0.513 41 T N -2.167 112.355 114.554 -0.052 0.000 3.122 41 T HA 0.122 4.473 4.350 0.003 0.000 0.250 41 T C 0.757 175.303 174.700 -0.257 0.000 1.067 41 T CA -0.024 61.970 62.100 -0.177 0.000 0.966 41 T CB 0.087 68.950 68.868 -0.008 0.000 1.002 41 T HN 0.276 nan 8.240 nan 0.000 0.542 42 Y N -1.325 118.891 120.300 -0.139 0.000 3.199 42 Y HA 0.151 4.703 4.550 0.003 0.000 0.211 42 Y C 2.272 178.060 175.900 -0.187 0.000 0.959 42 Y CA -0.002 58.022 58.100 -0.127 0.000 1.528 42 Y CB 0.759 39.213 38.460 -0.011 0.000 1.487 42 Y HN -0.023 nan 8.280 nan 0.000 0.403 43 V N 0.905 120.892 119.914 0.121 0.000 2.453 43 V HA -0.207 3.915 4.120 0.003 0.000 0.247 43 V C 2.108 178.188 176.094 -0.024 0.000 1.048 43 V CA 1.973 64.347 62.300 0.123 0.000 1.049 43 V CB -0.454 31.448 31.823 0.131 0.000 0.672 43 V HN 0.247 nan 8.190 nan 0.000 0.457 44 K N 0.510 120.836 120.400 -0.124 0.000 2.032 44 K HA -0.198 4.124 4.320 0.003 0.000 0.209 44 K C -0.108 176.353 176.600 -0.231 0.000 1.048 44 K CA 1.971 58.126 56.287 -0.221 0.000 0.927 44 K CB -1.139 31.087 32.500 -0.456 0.000 0.712 44 K HN 0.380 nan 8.250 nan 0.000 0.441 45 P HA -0.174 nan 4.420 nan 0.000 0.217 45 P C 0.719 177.925 177.300 -0.156 0.000 1.148 45 P CA 1.477 64.373 63.100 -0.341 0.000 0.834 45 P CB -0.092 31.291 31.700 -0.529 0.000 0.783 46 F N -1.408 118.596 119.950 0.091 0.000 2.259 46 F HA 0.022 4.551 4.527 0.003 0.000 0.298 46 F C 2.534 178.481 175.800 0.246 0.000 1.088 46 F CA 0.697 58.824 58.000 0.212 0.000 1.358 46 F CB -1.026 38.104 39.000 0.215 0.000 1.040 46 F HN -0.045 nan 8.300 nan 0.000 0.505 47 G N -0.418 108.548 108.800 0.277 0.000 2.430 47 G HA2 -0.159 3.803 3.960 0.003 0.000 0.216 47 G HA3 -0.159 3.803 3.960 0.003 0.000 0.216 47 G C 1.207 176.243 174.900 0.226 0.000 1.146 47 G CA 0.609 45.845 45.100 0.227 0.000 0.793 47 G HN 0.172 nan 8.290 nan 0.000 0.537 48 D N 0.344 120.816 120.400 0.120 0.000 2.117 48 D HA -0.075 4.566 4.640 0.003 0.000 0.198 48 D C 2.397 178.772 176.300 0.125 0.000 0.982 48 D CA 0.337 54.379 54.000 0.069 0.000 0.828 48 D CB -0.253 40.531 40.800 -0.027 0.000 0.967 48 D HN 0.171 nan 8.370 nan 0.000 0.464 49 L N 0.522 121.866 121.223 0.201 0.000 2.043 49 L HA -0.171 4.170 4.340 0.003 0.000 0.212 49 L C 2.049 179.081 176.870 0.269 0.000 1.075 49 L CA 1.396 56.354 54.840 0.197 0.000 0.752 49 L CB -0.913 41.277 42.059 0.219 0.000 0.891 49 L HN -0.019 nan 8.230 nan 0.000 0.432 50 F N -1.144 119.011 119.950 0.342 0.000 2.186 50 F HA -0.133 4.396 4.527 0.003 0.000 0.299 50 F C 2.065 177.954 175.800 0.148 0.000 1.090 50 F CA 1.605 59.793 58.000 0.313 0.000 1.307 50 F CB -0.482 38.686 39.000 0.279 0.000 1.019 50 F HN -0.077 nan 8.300 nan 0.000 0.489 51 V N 1.391 121.255 119.914 -0.083 0.000 2.379 51 V HA -0.211 3.911 4.120 0.003 0.000 0.245 51 V C 2.613 178.614 176.094 -0.156 0.000 1.044 51 V CA 1.794 63.970 62.300 -0.207 0.000 1.036 51 V CB -0.647 31.144 31.823 -0.054 0.000 0.664 51 V HN 0.230 nan 8.190 nan 0.000 0.453 52 R N 0.050 120.509 120.500 -0.068 0.000 2.083 52 R HA -0.100 4.241 4.340 0.003 0.000 0.237 52 R C 2.258 178.516 176.300 -0.071 0.000 1.137 52 R CA 1.418 57.484 56.100 -0.056 0.000 0.951 52 R CB -0.876 29.406 30.300 -0.029 0.000 0.851 52 R HN 0.424 nan 8.270 nan 0.000 0.434 53 L N 0.635 121.817 121.223 -0.069 0.000 2.093 53 L HA -0.137 4.204 4.340 0.003 0.000 0.208 53 L C 2.589 179.402 176.870 -0.096 0.000 1.085 53 L CA 0.924 55.728 54.840 -0.061 0.000 0.755 53 L CB -0.389 41.661 42.059 -0.015 0.000 0.904 53 L HN 0.141 nan 8.230 nan 0.000 0.435 54 L N -0.433 120.674 121.223 -0.193 0.000 2.027 54 L HA -0.219 4.122 4.340 0.003 0.000 0.206 54 L C 2.666 179.459 176.870 -0.130 0.000 1.074 54 L CA 1.436 56.153 54.840 -0.205 0.000 0.745 54 L CB -0.362 41.473 42.059 -0.374 0.000 0.898 54 L HN 0.232 nan 8.230 nan 0.000 0.433 55 K N -0.391 119.936 120.400 -0.121 0.000 2.097 55 K HA -0.241 4.081 4.320 0.003 0.000 0.206 55 K C 2.090 178.658 176.600 -0.054 0.000 1.049 55 K CA 1.469 57.709 56.287 -0.077 0.000 0.933 55 K CB -0.156 32.303 32.500 -0.068 0.000 0.717 55 K HN 0.248 nan 8.250 nan 0.000 0.442 56 M N 1.043 120.611 119.600 -0.054 0.000 2.116 56 M HA -0.244 4.238 4.480 0.003 0.000 0.255 56 M C 1.524 177.805 176.300 -0.030 0.000 1.075 56 M CA 1.773 57.051 55.300 -0.037 0.000 1.087 56 M CB -0.107 32.471 32.600 -0.037 0.000 1.340 56 M HN 0.112 nan 8.290 nan 0.000 0.402 57 L N -1.206 119.992 121.223 -0.041 0.000 2.418 57 L HA -0.026 4.316 4.340 0.003 0.000 0.218 57 L C 2.136 178.984 176.870 -0.036 0.000 1.125 57 L CA -0.145 54.669 54.840 -0.042 0.000 0.835 57 L CB -0.650 41.371 42.059 -0.064 0.000 0.953 57 L HN 0.128 nan 8.230 nan 0.000 0.454 58 V N -0.305 119.592 119.914 -0.029 0.000 2.407 58 V HA -0.260 3.862 4.120 0.003 0.000 0.248 58 V C 2.618 178.723 176.094 0.018 0.000 1.055 58 V CA 1.521 63.813 62.300 -0.013 0.000 1.049 58 V CB -0.415 31.400 31.823 -0.013 0.000 0.662 58 V HN 0.371 nan 8.190 nan 0.000 0.455 59 M N -0.767 118.847 119.600 0.024 0.000 2.115 59 M HA 0.029 4.511 4.480 0.003 0.000 0.261 59 M C 0.216 176.578 176.300 0.102 0.000 1.079 59 M CA 1.677 57.010 55.300 0.055 0.000 1.143 59 M CB -2.455 30.166 32.600 0.034 0.000 1.332 59 M HN 0.233 nan 8.290 nan 0.000 0.421 60 P HA -0.131 nan 4.420 nan 0.000 0.214 60 P C 1.922 179.283 177.300 0.101 0.000 1.163 60 P CA 1.267 64.440 63.100 0.122 0.000 0.883 60 P CB -0.097 31.646 31.700 0.071 0.000 0.788 61 I N -1.056 119.523 120.570 0.015 0.000 2.423 61 I HA -0.215 3.957 4.170 0.003 0.000 0.254 61 I C 1.858 177.987 176.117 0.021 0.000 1.151 61 I CA 1.269 62.537 61.300 -0.054 0.000 1.421 61 I CB -0.065 37.810 38.000 -0.209 0.000 1.079 61 I HN -0.189 nan 8.210 nan 0.000 0.431 62 V N 0.228 120.188 119.914 0.076 0.000 2.302 62 V HA -0.269 3.853 4.120 0.003 0.000 0.243 62 V C 2.082 178.282 176.094 0.177 0.000 1.036 62 V CA 1.883 64.255 62.300 0.119 0.000 1.020 62 V CB -0.589 31.308 31.823 0.123 0.000 0.657 62 V HN 0.447 nan 8.190 nan 0.000 0.453 63 F N 1.380 121.369 119.950 0.064 0.000 2.084 63 F HA -0.061 4.468 4.527 0.003 0.000 0.296 63 F C 2.242 178.083 175.800 0.069 0.000 1.111 63 F CA 1.347 59.398 58.000 0.085 0.000 1.224 63 F CB -0.863 38.202 39.000 0.108 0.000 0.991 63 F HN 0.076 nan 8.300 nan 0.000 0.471 64 A N -0.432 122.356 122.820 -0.053 0.000 1.834 64 A HA -0.168 4.153 4.320 0.003 0.000 0.216 64 A C 1.843 179.346 177.584 -0.135 0.000 1.203 64 A CA 1.711 53.654 52.037 -0.155 0.000 0.621 64 A CB -1.481 17.525 19.000 0.010 0.000 0.841 64 A HN 0.289 nan 8.150 nan 0.000 0.446 65 S N -0.229 115.464 115.700 -0.012 0.000 4.051 65 S HA 0.362 4.834 4.470 0.003 0.000 0.215 65 S C 0.239 174.805 174.600 -0.056 0.000 1.289 65 S CA 0.390 58.596 58.200 0.010 0.000 0.907 65 S CB 0.037 63.335 63.200 0.164 0.000 1.603 65 S HN 0.528 nan 8.310 nan 0.000 0.453 66 L N 2.289 123.442 121.223 -0.118 0.000 2.325 66 L HA 0.129 4.471 4.340 0.003 0.000 0.266 66 L C 1.415 178.184 176.870 -0.169 0.000 1.134 66 L CA 0.920 55.696 54.840 -0.106 0.000 1.406 66 L CB -0.550 41.495 42.059 -0.022 0.000 2.633 66 L HN 0.290 nan 8.230 nan 0.000 0.537 67 V N -0.020 119.725 119.914 -0.281 0.000 2.295 67 V HA -0.217 3.905 4.120 0.003 0.000 0.246 67 V C 2.329 178.305 176.094 -0.198 0.000 1.049 67 V CA 2.088 64.205 62.300 -0.305 0.000 1.024 67 V CB -0.667 30.869 31.823 -0.478 0.000 0.648 67 V HN 0.278 nan 8.190 nan 0.000 0.447 68 V N 1.089 120.901 119.914 -0.170 0.000 2.343 68 V HA -0.159 3.963 4.120 0.003 0.000 0.247 68 V C 2.686 178.717 176.094 -0.105 0.000 1.051 68 V CA 2.138 64.372 62.300 -0.110 0.000 1.036 68 V CB -1.489 30.289 31.823 -0.074 0.000 0.654 68 V HN 0.606 nan 8.190 nan 0.000 0.451 69 G N -0.188 108.538 108.800 -0.122 0.000 2.450 69 G HA2 -0.145 3.817 3.960 0.003 0.000 0.220 69 G HA3 -0.145 3.817 3.960 0.003 0.000 0.220 69 G C 1.222 176.053 174.900 -0.114 0.000 1.130 69 G CA 0.743 45.765 45.100 -0.129 0.000 0.760 69 G HN 0.665 nan 8.290 nan 0.000 0.557 70 A N 0.170 122.917 122.820 -0.121 0.000 2.648 70 A HA 0.699 5.021 4.320 0.003 0.000 0.269 70 A C 1.011 178.541 177.584 -0.089 0.000 1.392 70 A CA 0.494 52.460 52.037 -0.117 0.000 1.019 70 A CB -0.416 18.497 19.000 -0.145 0.000 1.009 70 A HN 0.666 nan 8.150 nan 0.000 0.565 71 A N 0.469 123.243 122.820 -0.075 0.000 2.736 71 A HA 0.646 4.967 4.320 0.003 0.000 0.335 71 A C 0.119 177.673 177.584 -0.049 0.000 1.446 71 A CA -0.019 51.986 52.037 -0.052 0.000 1.028 71 A CB -0.226 18.746 19.000 -0.047 0.000 1.154 71 A HN 0.893 nan 8.150 nan 0.000 0.507 72 S N 1.896 117.568 115.700 -0.046 0.000 2.604 72 S HA 0.297 4.769 4.470 0.003 0.000 0.296 72 S C -0.563 174.012 174.600 -0.041 0.000 1.097 72 S CA -0.785 57.388 58.200 -0.046 0.000 0.883 72 S CB 0.202 63.366 63.200 -0.060 0.000 1.081 72 S HN 0.675 nan 8.310 nan 0.000 0.448 73 I N 4.637 125.188 120.570 -0.032 0.000 3.352 73 I HA -0.112 4.060 4.170 0.003 0.000 0.289 73 I C 1.789 177.890 176.117 -0.026 0.000 1.203 73 I CA 0.072 61.358 61.300 -0.023 0.000 1.454 73 I CB -0.805 37.183 38.000 -0.021 0.000 1.519 73 I HN 0.635 nan 8.210 nan 0.000 0.628 74 S N 7.281 122.978 115.700 -0.005 0.000 2.412 74 S HA -0.202 4.270 4.470 0.003 0.000 0.246 74 S C -0.315 174.258 174.600 -0.044 0.000 1.073 74 S CA 1.966 60.155 58.200 -0.018 0.000 1.186 74 S CB -1.206 62.023 63.200 0.049 0.000 1.084 74 S HN 0.644 nan 8.310 nan 0.000 0.434 75 P HA 0.257 nan 4.420 nan 0.000 0.212 75 P C 1.504 178.785 177.300 -0.032 0.000 1.171 75 P CA 1.297 64.381 63.100 -0.027 0.000 0.892 75 P CB -0.343 31.354 31.700 -0.004 0.000 0.769 76 A N -0.494 122.314 122.820 -0.019 0.000 2.032 76 A HA -0.200 4.122 4.320 0.003 0.000 0.221 76 A C 2.135 179.705 177.584 -0.023 0.000 1.165 76 A CA 1.509 53.536 52.037 -0.016 0.000 0.645 76 A CB -0.754 18.240 19.000 -0.009 0.000 0.807 76 A HN -0.006 nan 8.150 nan 0.000 0.453 77 R N -0.744 119.734 120.500 -0.038 0.000 1.963 77 R HA 0.259 4.601 4.340 0.003 0.000 0.193 77 R C 2.108 178.359 176.300 -0.082 0.000 1.437 77 R CA 0.653 56.724 56.100 -0.048 0.000 1.176 77 R CB -1.604 28.664 30.300 -0.054 0.000 0.864 77 R HN 0.436 nan 8.270 nan 0.000 0.495 78 L N 0.689 121.825 121.223 -0.146 0.000 2.054 78 L HA -0.270 4.072 4.340 0.003 0.000 0.220 78 L C 2.427 179.161 176.870 -0.226 0.000 1.081 78 L CA 2.012 56.683 54.840 -0.282 0.000 0.780 78 L CB -1.098 40.745 42.059 -0.360 0.000 0.893 78 L HN 0.534 nan 8.230 nan 0.000 0.438 79 G N -0.944 107.778 108.800 -0.130 0.000 2.459 79 G HA2 -0.350 3.612 3.960 0.003 0.000 0.217 79 G HA3 -0.350 3.612 3.960 0.003 0.000 0.217 79 G C 1.874 176.760 174.900 -0.023 0.000 1.183 79 G CA 1.531 46.593 45.100 -0.065 0.000 0.776 79 G HN 0.422 nan 8.290 nan 0.000 0.552 80 R N -0.124 120.366 120.500 -0.017 0.000 2.115 80 R HA 0.316 4.658 4.340 0.003 0.000 0.226 80 R C 2.673 178.985 176.300 0.020 0.000 1.100 80 R CA 1.350 57.454 56.100 0.008 0.000 0.980 80 R CB -1.161 29.143 30.300 0.008 0.000 0.875 80 R HN 0.300 nan 8.270 nan 0.000 0.445 81 V N 0.744 120.664 119.914 0.011 0.000 2.261 81 V HA -0.156 3.966 4.120 0.003 0.000 0.246 81 V C 2.829 179.005 176.094 0.137 0.000 1.047 81 V CA 2.141 64.472 62.300 0.053 0.000 1.015 81 V CB -0.930 30.921 31.823 0.046 0.000 0.642 81 V HN 0.677 nan 8.190 nan 0.000 0.446 82 G N -0.386 108.515 108.800 0.168 0.000 2.459 82 G HA2 -0.243 3.719 3.960 0.003 0.000 0.217 82 G HA3 -0.243 3.719 3.960 0.003 0.000 0.217 82 G C 1.714 176.709 174.900 0.158 0.000 1.183 82 G CA 1.311 46.603 45.100 0.320 0.000 0.776 82 G HN 0.359 nan 8.290 nan 0.000 0.552 83 V N 0.630 120.599 119.914 0.091 0.000 2.332 83 V HA -0.194 3.928 4.120 0.003 0.000 0.248 83 V C 2.838 178.962 176.094 0.051 0.000 1.055 83 V CA 2.367 64.707 62.300 0.067 0.000 1.038 83 V CB -0.398 31.455 31.823 0.050 0.000 0.651 83 V HN 0.358 nan 8.190 nan 0.000 0.450 84 K N -0.766 119.658 120.400 0.039 0.000 2.025 84 K HA -0.120 4.202 4.320 0.003 0.000 0.207 84 K C 2.078 178.664 176.600 -0.022 0.000 1.049 84 K CA 1.542 57.842 56.287 0.023 0.000 0.933 84 K CB -0.287 32.222 32.500 0.015 0.000 0.714 84 K HN 0.323 nan 8.250 nan 0.000 0.438 85 I N 0.682 121.195 120.570 -0.095 0.000 2.315 85 I HA -0.225 3.946 4.170 0.003 0.000 0.248 85 I C 1.816 177.650 176.117 -0.471 0.000 1.117 85 I CA 1.044 62.133 61.300 -0.352 0.000 1.404 85 I CB 0.109 37.875 38.000 -0.391 0.000 1.071 85 I HN -0.111 nan 8.210 nan 0.000 0.419 86 V N -0.510 119.312 119.914 -0.153 0.000 2.358 86 V HA -0.225 3.897 4.120 0.003 0.000 0.246 86 V C 2.414 178.549 176.094 0.069 0.000 1.047 86 V CA 1.675 63.978 62.300 0.005 0.000 1.035 86 V CB -0.343 31.530 31.823 0.083 0.000 0.658 86 V HN 0.270 nan 8.190 nan 0.000 0.452 87 V N -0.771 119.179 119.914 0.060 0.000 2.427 87 V HA -0.281 3.841 4.120 0.003 0.000 0.248 87 V C 2.164 178.322 176.094 0.107 0.000 1.051 87 V CA 2.329 64.679 62.300 0.082 0.000 1.048 87 V CB -0.789 31.080 31.823 0.076 0.000 0.666 87 V HN 0.700 nan 8.190 nan 0.000 0.456 88 Y N 0.049 120.335 120.300 -0.024 0.000 2.097 88 Y HA -0.308 4.244 4.550 0.003 0.000 0.282 88 Y C 2.412 178.406 175.900 0.157 0.000 1.152 88 Y CA 1.879 59.987 58.100 0.013 0.000 1.136 88 Y CB -0.556 37.848 38.460 -0.094 0.000 0.975 88 Y HN 0.287 nan 8.280 nan 0.000 0.498 89 Y N -1.039 119.360 120.300 0.165 0.000 2.165 89 Y HA -0.288 4.263 4.550 0.002 0.000 0.286 89 Y C 2.267 178.161 175.900 -0.011 0.000 1.155 89 Y CA 0.515 58.662 58.100 0.077 0.000 1.164 89 Y CB -0.220 38.331 38.460 0.151 0.000 0.978 89 Y HN 0.206 nan 8.280 nan 0.000 0.513 90 L N -0.465 120.866 121.223 0.179 0.000 2.093 90 L HA -0.192 4.150 4.340 0.003 0.000 0.208 90 L C 2.095 178.992 176.870 0.045 0.000 1.085 90 L CA 1.525 56.424 54.840 0.098 0.000 0.755 90 L CB -0.873 41.238 42.059 0.087 0.000 0.904 90 L HN 0.251 nan 8.230 nan 0.000 0.435 91 L N -1.327 119.912 121.223 0.028 0.000 2.179 91 L HA -0.124 4.218 4.340 0.003 0.000 0.208 91 L C 2.418 179.340 176.870 0.087 0.000 1.096 91 L CA 1.304 56.164 54.840 0.034 0.000 0.779 91 L CB -0.610 41.486 42.059 0.062 0.000 0.922 91 L HN 0.405 nan 8.230 nan 0.000 0.443 92 T N -4.884 109.652 114.554 -0.030 0.000 2.904 92 T HA -0.086 4.265 4.350 0.003 0.000 0.267 92 T C 1.947 176.684 174.700 0.062 0.000 1.059 92 T CA 1.233 63.322 62.100 -0.018 0.000 1.137 92 T CB -0.231 68.496 68.868 -0.234 0.000 0.879 92 T HN 0.120 nan 8.240 nan 0.000 0.467 93 S N 1.583 117.308 115.700 0.042 0.000 2.428 93 S HA 0.271 4.743 4.470 0.003 0.000 0.230 93 S C 2.536 177.155 174.600 0.031 0.000 1.014 93 S CA 0.627 58.854 58.200 0.045 0.000 0.957 93 S CB -0.559 62.666 63.200 0.043 0.000 0.784 93 S HN 0.734 nan 8.310 nan 0.000 0.499 94 A N 0.681 123.504 122.820 0.005 0.000 1.930 94 A HA 0.037 4.358 4.320 0.003 0.000 0.217 94 A C 1.790 179.305 177.584 -0.115 0.000 1.175 94 A CA 1.049 53.041 52.037 -0.074 0.000 0.627 94 A CB -0.751 18.164 19.000 -0.141 0.000 0.815 94 A HN 0.483 nan 8.150 nan 0.000 0.443 95 F N 0.067 119.988 119.950 -0.049 0.000 2.146 95 F HA -0.063 4.465 4.527 0.003 0.000 0.298 95 F C 2.809 178.570 175.800 -0.064 0.000 1.096 95 F CA 0.956 58.919 58.000 -0.062 0.000 1.275 95 F CB -0.224 38.723 39.000 -0.089 0.000 1.008 95 F HN 0.274 nan 8.300 nan 0.000 0.480 96 A N -0.383 122.514 122.820 0.129 0.000 1.873 96 A HA -0.234 4.088 4.320 0.003 0.000 0.218 96 A C 2.324 179.933 177.584 0.042 0.000 1.193 96 A CA 2.128 54.199 52.037 0.057 0.000 0.629 96 A CB -1.410 17.618 19.000 0.047 0.000 0.826 96 A HN 0.262 nan 8.150 nan 0.000 0.447 97 V N -0.081 119.852 119.914 0.031 0.000 2.358 97 V HA -0.183 3.938 4.120 0.003 0.000 0.246 97 V C 2.504 178.595 176.094 -0.004 0.000 1.047 97 V CA 2.997 65.306 62.300 0.016 0.000 1.035 97 V CB -0.906 30.926 31.823 0.016 0.000 0.658 97 V HN 0.669 nan 8.190 nan 0.000 0.452 98 T N 0.415 114.962 114.554 -0.013 0.000 2.867 98 T HA -0.127 4.224 4.350 0.003 0.000 0.268 98 T C 1.706 176.399 174.700 -0.011 0.000 1.057 98 T CA 1.681 63.764 62.100 -0.028 0.000 1.136 98 T CB -0.260 68.567 68.868 -0.069 0.000 0.874 98 T HN 0.380 nan 8.240 nan 0.000 0.466 99 L N 1.159 122.396 121.223 0.024 0.000 2.240 99 L HA 0.286 4.628 4.340 0.003 0.000 0.211 99 L C 2.471 179.333 176.870 -0.013 0.000 1.106 99 L CA 1.042 55.895 54.840 0.021 0.000 0.793 99 L CB -0.704 41.378 42.059 0.038 0.000 0.927 99 L HN 0.296 nan 8.230 nan 0.000 0.446 100 G N -0.439 108.346 108.800 -0.024 0.000 2.403 100 G HA2 -0.145 3.817 3.960 0.003 0.000 0.216 100 G HA3 -0.145 3.817 3.960 0.003 0.000 0.216 100 G C 1.452 176.265 174.900 -0.146 0.000 1.154 100 G CA 0.638 45.709 45.100 -0.048 0.000 0.784 100 G HN 0.265 nan 8.290 nan 0.000 0.538 101 I N 0.788 121.245 120.570 -0.189 0.000 2.202 101 I HA -0.052 4.119 4.170 0.003 0.000 0.242 101 I C 2.666 178.555 176.117 -0.381 0.000 1.091 101 I CA 0.736 61.787 61.300 -0.414 0.000 1.368 101 I CB -1.012 36.853 38.000 -0.225 0.000 1.058 101 I HN 0.049 nan 8.210 nan 0.000 0.410 102 I N 0.095 120.563 120.570 -0.170 0.000 2.335 102 I HA -0.278 3.894 4.170 0.003 0.000 0.251 102 I C 2.439 178.523 176.117 -0.056 0.000 1.129 102 I CA 1.383 62.627 61.300 -0.092 0.000 1.402 102 I CB -0.354 37.628 38.000 -0.030 0.000 1.069 102 I HN 0.127 nan 8.210 nan 0.000 0.424 103 M N -0.541 119.038 119.600 -0.034 0.000 2.349 103 M HA 0.076 4.557 4.480 0.003 0.000 0.266 103 M C 1.991 178.359 176.300 0.113 0.000 1.076 103 M CA 1.306 56.656 55.300 0.083 0.000 1.126 103 M CB -0.370 32.276 32.600 0.077 0.000 1.392 103 M HN 0.204 nan 8.290 nan 0.000 0.440 104 A N -1.067 121.702 122.820 -0.086 0.000 2.178 104 A HA 0.072 4.394 4.320 0.003 0.000 0.211 104 A C 2.056 179.595 177.584 -0.074 0.000 1.157 104 A CA 0.535 52.517 52.037 -0.093 0.000 0.780 104 A CB -0.326 18.501 19.000 -0.288 0.000 0.828 104 A HN 0.479 nan 8.150 nan 0.000 0.476 105 R N -0.951 119.472 120.500 -0.127 0.000 2.237 105 R HA 0.259 4.601 4.340 0.003 0.000 0.195 105 R C 1.747 178.060 176.300 0.022 0.000 0.956 105 R CA 0.090 56.185 56.100 -0.010 0.000 1.029 105 R CB -0.092 30.188 30.300 -0.033 0.000 0.972 105 R HN 0.356 nan 8.270 nan 0.000 0.493 106 L N 0.211 121.447 121.223 0.021 0.000 2.023 106 L HA 0.080 4.422 4.340 0.003 0.000 0.205 106 L C 0.531 177.341 176.870 -0.100 0.000 1.073 106 L CA 1.641 56.462 54.840 -0.032 0.000 0.745 106 L CB -0.107 41.948 42.059 -0.008 0.000 0.900 106 L HN -0.021 nan 8.230 nan 0.000 0.435 107 F N -0.096 119.857 119.950 0.005 0.000 2.291 107 F HA 0.220 4.749 4.527 0.003 0.000 0.305 107 F C 0.912 176.737 175.800 0.042 0.000 1.171 107 F CA -0.441 57.575 58.000 0.026 0.000 1.090 107 F CB 0.267 39.287 39.000 0.034 0.000 1.436 107 F HN -0.038 nan 8.300 nan 0.000 0.509 108 N N 0.855 119.729 118.700 0.290 0.000 2.750 108 N HA 0.274 5.016 4.740 0.003 0.000 0.253 108 N C -2.884 172.737 175.510 0.185 0.000 1.408 108 N CA -1.346 51.821 53.050 0.194 0.000 0.780 108 N CB 0.990 39.550 38.487 0.121 0.000 1.191 108 N HN 0.034 nan 8.380 nan 0.000 0.511 109 P HA 0.271 nan 4.420 nan 0.000 0.276 109 P C 0.556 177.929 177.300 0.121 0.000 1.243 109 P CA 0.246 63.498 63.100 0.254 0.000 0.768 109 P CB 0.638 32.549 31.700 0.351 0.000 0.856 110 G N 2.830 111.624 108.800 -0.011 0.000 2.325 110 G HA2 -0.080 3.881 3.960 0.003 0.000 0.248 110 G HA3 -0.080 3.881 3.960 0.003 0.000 0.248 110 G C 0.885 175.682 174.900 -0.172 0.000 1.108 110 G CA -0.037 44.850 45.100 -0.355 0.000 0.881 110 G HN 0.620 nan 8.290 nan 0.000 0.494 111 A N -0.305 122.481 122.820 -0.057 0.000 1.897 111 A HA 0.502 4.824 4.320 0.003 0.000 0.215 111 A C 1.997 179.552 177.584 -0.048 0.000 1.181 111 A CA 1.940 53.959 52.037 -0.030 0.000 0.620 111 A CB -0.233 18.772 19.000 0.009 0.000 0.821 111 A HN 2.028 nan 8.150 nan 0.000 0.443 112 G N -0.702 108.069 108.800 -0.048 0.000 2.360 112 G HA2 0.451 4.413 3.960 0.003 0.000 0.279 112 G HA3 0.451 4.413 3.960 0.003 0.000 0.279 112 G C 0.015 174.876 174.900 -0.064 0.000 1.189 112 G CA 0.282 45.356 45.100 -0.042 0.000 0.941 112 G HN 1.040 nan 8.290 nan 0.000 0.445 113 I N 1.539 122.077 120.570 -0.054 0.000 2.270 113 I HA 0.603 4.775 4.170 0.003 0.000 0.294 113 I C 0.924 177.018 176.117 -0.037 0.000 1.164 113 I CA 0.427 61.694 61.300 -0.056 0.000 1.680 113 I CB -2.303 35.668 38.000 -0.048 0.000 1.494 113 I HN 1.076 nan 8.210 nan 0.000 0.767 114 H N 2.380 121.429 119.070 -0.035 0.000 5.184 114 H HA 0.964 5.522 4.556 0.003 0.000 0.116 114 H C 1.527 176.850 175.328 -0.009 0.000 1.337 114 H CA 0.425 56.463 56.048 -0.016 0.000 0.532 114 H CB -0.371 29.387 29.762 -0.007 0.000 1.643 114 H HN 2.462 nan 8.280 nan 0.000 0.225 115 L N -0.488 120.738 121.223 0.006 0.000 3.040 115 L HA 0.355 4.697 4.340 0.003 0.000 0.594 115 L C 0.685 177.567 176.870 0.020 0.000 1.002 115 L CA 0.232 55.085 54.840 0.022 0.000 1.305 115 L CB -2.585 39.492 42.059 0.030 0.000 1.539 115 L HN 2.515 nan 8.230 nan 0.000 0.746 116 A N 3.749 126.582 122.820 0.022 0.000 2.462 116 A HA 0.746 5.068 4.320 0.003 0.000 0.243 116 A C 0.550 178.148 177.584 0.023 0.000 1.076 116 A CA 0.296 52.344 52.037 0.018 0.000 0.773 116 A CB 0.621 19.631 19.000 0.016 0.000 1.010 116 A HN 2.368 nan 8.150 nan 0.000 0.493 117 V N 1.276 121.201 119.914 0.019 0.000 2.394 117 V HA 0.790 4.912 4.120 0.003 0.000 0.282 117 V C 0.606 176.711 176.094 0.020 0.000 1.031 117 V CA 0.360 62.672 62.300 0.022 0.000 0.881 117 V CB 0.471 32.304 31.823 0.017 0.000 0.982 117 V HN 1.845 nan 8.190 nan 0.000 0.451 118 G N 2.266 111.081 108.800 0.025 0.000 2.621 118 G HA2 0.549 4.511 3.960 0.003 0.000 0.355 118 G HA3 0.549 4.511 3.960 0.003 0.000 0.355 118 G C -0.107 174.807 174.900 0.023 0.000 1.509 118 G CA -0.037 45.075 45.100 0.021 0.000 1.000 118 G HN 2.008 nan 8.290 nan 0.000 0.646 119 G N 0.651 109.466 108.800 0.024 0.000 2.929 119 G HA2 0.520 4.482 3.960 0.003 0.000 0.335 119 G HA3 0.520 4.482 3.960 0.003 0.000 0.335 119 G C -0.152 174.770 174.900 0.038 0.000 1.054 119 G CA 1.019 46.134 45.100 0.025 0.000 1.067 119 G HN 2.292 nan 8.290 nan 0.000 0.472 120 Q N -0.299 119.528 119.800 0.044 0.000 2.885 120 Q HA 0.770 5.112 4.340 0.003 0.000 0.353 120 Q C -0.169 175.873 176.000 0.070 0.000 0.784 120 Q CA -0.989 54.854 55.803 0.067 0.000 0.840 120 Q CB 0.117 28.899 28.738 0.074 0.000 1.306 120 Q HN 0.377 nan 8.270 nan 0.000 0.510 121 Q N -0.501 119.355 119.800 0.094 0.000 2.421 121 Q HA 0.490 4.832 4.340 0.003 0.000 0.255 121 Q C -0.052 175.976 176.000 0.047 0.000 1.013 121 Q CA 1.160 57.016 55.803 0.088 0.000 0.895 121 Q CB 0.226 29.024 28.738 0.101 0.000 1.271 121 Q HN 0.686 nan 8.270 nan 0.000 0.460 122 F N 0.243 120.216 119.950 0.039 0.000 2.664 122 F HA 0.378 4.906 4.527 0.003 0.000 0.303 122 F C 0.679 176.483 175.800 0.007 0.000 1.092 122 F CA 0.269 58.281 58.000 0.020 0.000 1.305 122 F CB -0.309 38.702 39.000 0.019 0.000 1.054 122 F HN 0.666 nan 8.300 nan 0.000 0.565 123 Q N 0.672 120.473 119.800 0.002 0.000 2.915 123 Q HA -0.095 4.247 4.340 0.003 0.000 0.119 123 Q C -3.092 172.896 176.000 -0.020 0.000 1.545 123 Q CA -0.132 55.658 55.803 -0.022 0.000 0.443 123 Q CB -1.683 27.034 28.738 -0.034 0.000 0.637 123 Q HN 0.460 nan 8.270 nan 0.000 0.319 124 P HA 0.243 nan 4.420 nan 0.000 0.269 124 P C -0.329 176.957 177.300 -0.024 0.000 1.209 124 P CA 1.021 64.113 63.100 -0.012 0.000 0.776 124 P CB 0.272 31.967 31.700 -0.008 0.000 0.876 125 H N 1.490 120.550 119.070 -0.016 0.000 3.001 125 H HA 0.048 4.605 4.556 0.003 0.000 0.334 125 H C 0.656 175.969 175.328 -0.025 0.000 1.034 125 H CA -0.330 55.706 56.048 -0.021 0.000 1.420 125 H CB -0.182 29.572 29.762 -0.013 0.000 1.405 125 H HN 0.424 nan 8.280 nan 0.000 0.593 126 Q N 0.860 120.640 119.800 -0.034 0.000 2.395 126 Q HA 0.338 4.680 4.340 0.003 0.000 0.271 126 Q C 0.678 176.668 176.000 -0.017 0.000 1.026 126 Q CA 0.322 56.104 55.803 -0.036 0.000 0.900 126 Q CB 0.694 29.405 28.738 -0.045 0.000 1.266 126 Q HN 0.999 nan 8.270 nan 0.000 0.430 127 A N 4.707 127.520 122.820 -0.011 0.000 2.531 127 A HA 0.284 4.606 4.320 0.003 0.000 0.236 127 A C -1.885 175.705 177.584 0.009 0.000 1.062 127 A CA -0.849 51.189 52.037 0.002 0.000 0.760 127 A CB -0.590 18.415 19.000 0.007 0.000 0.995 127 A HN 0.429 nan 8.150 nan 0.000 0.501 128 P HA 0.227 nan 4.420 nan 0.000 0.269 128 P C -2.446 174.883 177.300 0.048 0.000 1.215 128 P CA -0.894 62.226 63.100 0.034 0.000 0.780 128 P CB -0.318 31.406 31.700 0.040 0.000 0.898 129 P HA -0.081 nan 4.420 nan 0.000 0.263 129 P C 0.778 178.100 177.300 0.036 0.000 1.175 129 P CA -0.027 63.108 63.100 0.059 0.000 0.761 129 P CB 0.473 32.234 31.700 0.102 0.000 0.794 130 L N 5.806 127.031 121.223 0.003 0.000 2.079 130 L HA -0.168 4.174 4.340 0.003 0.000 0.210 130 L C 2.385 179.235 176.870 -0.033 0.000 1.081 130 L CA 1.719 56.555 54.840 -0.006 0.000 0.752 130 L CB -1.211 40.844 42.059 -0.007 0.000 0.896 130 L HN 0.282 nan 8.230 nan 0.000 0.433 131 V N -0.661 119.200 119.914 -0.090 0.000 2.332 131 V HA -0.305 3.816 4.120 0.003 0.000 0.248 131 V C 2.224 178.201 176.094 -0.194 0.000 1.055 131 V CA 2.107 64.304 62.300 -0.172 0.000 1.038 131 V CB -0.858 30.811 31.823 -0.257 0.000 0.651 131 V HN 0.668 nan 8.190 nan 0.000 0.450 132 H N -0.661 118.400 119.070 -0.015 0.000 2.543 132 H HA 0.267 4.822 4.556 -0.001 0.000 0.269 132 H C 1.859 177.176 175.328 -0.019 0.000 1.005 132 H CA 1.192 57.229 56.048 -0.018 0.000 1.146 132 H CB 0.210 29.963 29.762 -0.016 0.000 1.353 132 H HN 0.514 nan 8.280 nan 0.000 0.595 133 I N -0.667 119.941 120.570 0.064 0.000 2.810 133 I HA -0.107 4.064 4.170 0.003 0.000 0.262 133 I C 2.062 178.185 176.117 0.010 0.000 1.131 133 I CA 0.328 61.650 61.300 0.036 0.000 1.453 133 I CB 0.241 38.257 38.000 0.027 0.000 1.161 133 I HN 0.086 nan 8.210 nan 0.000 0.444 134 L N 0.410 121.628 121.223 -0.009 0.000 2.044 134 L HA -0.142 4.200 4.340 0.003 0.000 0.205 134 L C 2.444 179.280 176.870 -0.056 0.000 1.075 134 L CA 1.240 56.063 54.840 -0.029 0.000 0.747 134 L CB -0.462 41.578 42.059 -0.031 0.000 0.903 134 L HN 0.231 nan 8.230 nan 0.000 0.435 135 L N -0.069 121.125 121.223 -0.048 0.000 2.349 135 L HA -0.240 4.102 4.340 0.003 0.000 0.220 135 L C 1.279 178.120 176.870 -0.049 0.000 1.130 135 L CA 0.885 55.695 54.840 -0.049 0.000 0.791 135 L CB -0.359 41.694 42.059 -0.010 0.000 0.918 135 L HN 0.286 nan 8.230 nan 0.000 0.444 136 D N -0.983 119.400 120.400 -0.029 0.000 2.350 136 D HA 0.048 4.690 4.640 0.003 0.000 0.213 136 D C 1.939 178.206 176.300 -0.055 0.000 1.031 136 D CA 0.401 54.386 54.000 -0.026 0.000 0.861 136 D CB 0.226 41.030 40.800 0.006 0.000 0.926 136 D HN 0.300 nan 8.370 nan 0.000 0.520 137 I N -0.288 120.223 120.570 -0.097 0.000 2.761 137 I HA -0.045 4.126 4.170 0.003 0.000 0.261 137 I C 0.432 176.391 176.117 -0.263 0.000 1.198 137 I CA 0.337 61.569 61.300 -0.113 0.000 1.482 137 I CB 0.077 38.021 38.000 -0.093 0.000 1.100 137 I HN -0.228 nan 8.210 nan 0.000 0.445 138 V N 4.946 124.631 119.914 -0.382 0.000 2.338 138 V HA 0.173 4.295 4.120 0.003 0.000 0.255 138 V C -1.764 174.272 176.094 -0.097 0.000 1.082 138 V CA -1.385 60.662 62.300 -0.421 0.000 0.951 138 V CB -0.337 31.244 31.823 -0.405 0.000 1.102 138 V HN 0.098 nan 8.190 nan 0.000 0.489 139 P HA 0.203 nan 4.420 nan 0.000 0.272 139 P C 0.486 177.768 177.300 -0.030 0.000 1.230 139 P CA -0.063 63.033 63.100 -0.007 0.000 0.788 139 P CB 1.069 32.760 31.700 -0.015 0.000 0.949 140 T N -1.287 113.230 114.554 -0.062 0.000 2.990 140 T HA 0.065 4.417 4.350 0.003 0.000 0.249 140 T C 0.604 175.239 174.700 -0.108 0.000 1.039 140 T CA 0.521 62.584 62.100 -0.061 0.000 1.036 140 T CB -0.164 68.678 68.868 -0.042 0.000 0.994 140 T HN 0.455 nan 8.240 nan 0.000 0.489 141 N N 1.241 119.849 118.700 -0.153 0.000 2.607 141 N HA 0.249 4.991 4.740 0.003 0.000 0.271 141 N C -2.804 172.502 175.510 -0.340 0.000 1.142 141 N CA -1.738 51.181 53.050 -0.219 0.000 0.810 141 N CB 2.167 40.592 38.487 -0.104 0.000 1.306 141 N HN -0.133 nan 8.380 nan 0.000 0.536 142 P HA 0.062 nan 4.420 nan 0.000 0.226 142 P C 0.912 177.823 177.300 -0.649 0.000 1.153 142 P CA 0.847 63.426 63.100 -0.869 0.000 0.777 142 P CB 0.042 30.601 31.700 -1.903 0.000 0.794 143 F N -0.519 119.225 119.950 -0.342 0.000 2.163 143 F HA 0.005 4.533 4.527 0.003 0.000 0.297 143 F C 2.646 178.337 175.800 -0.181 0.000 1.094 143 F CA 0.727 58.585 58.000 -0.238 0.000 1.290 143 F CB -1.270 37.635 39.000 -0.159 0.000 1.017 143 F HN -0.048 nan 8.300 nan 0.000 0.483 144 G N 0.418 109.216 108.800 -0.005 0.000 2.480 144 G HA2 -0.295 3.667 3.960 0.003 0.000 0.216 144 G HA3 -0.295 3.667 3.960 0.003 0.000 0.216 144 G C 1.898 176.766 174.900 -0.054 0.000 1.200 144 G CA 1.068 46.152 45.100 -0.028 0.000 0.782 144 G HN 0.413 nan 8.290 nan 0.000 0.554 145 A N 0.603 123.366 122.820 -0.095 0.000 1.903 145 A HA -0.098 4.223 4.320 0.003 0.000 0.219 145 A C 2.502 180.047 177.584 -0.065 0.000 1.191 145 A CA 1.788 53.780 52.037 -0.076 0.000 0.638 145 A CB -0.615 18.332 19.000 -0.088 0.000 0.823 145 A HN 0.383 nan 8.150 nan 0.000 0.451 146 L N -1.112 120.050 121.223 -0.101 0.000 2.046 146 L HA -0.204 4.138 4.340 0.003 0.000 0.208 146 L C 3.018 179.864 176.870 -0.041 0.000 1.077 146 L CA 1.080 55.868 54.840 -0.087 0.000 0.747 146 L CB -0.454 41.520 42.059 -0.142 0.000 0.896 146 L HN 0.465 nan 8.230 nan 0.000 0.432 147 A N 0.321 123.123 122.820 -0.029 0.000 2.121 147 A HA -0.101 4.221 4.320 0.003 0.000 0.218 147 A C 0.268 177.841 177.584 -0.018 0.000 1.154 147 A CA 1.236 53.262 52.037 -0.018 0.000 0.679 147 A CB -0.604 18.390 19.000 -0.011 0.000 0.795 147 A HN 0.667 nan 8.150 nan 0.000 0.458 148 N N -2.390 116.298 118.700 -0.019 0.000 2.571 148 N HA 0.455 5.197 4.740 0.003 0.000 0.286 148 N C 0.490 175.993 175.510 -0.012 0.000 1.138 148 N CA 0.041 53.082 53.050 -0.015 0.000 0.859 148 N CB 0.470 38.948 38.487 -0.015 0.000 1.414 148 N HN 0.478 nan 8.380 nan 0.000 0.529 149 G N 1.930 110.726 108.800 -0.007 0.000 2.702 149 G HA2 -0.424 3.538 3.960 0.003 0.000 0.342 149 G HA3 -0.424 3.538 3.960 0.003 0.000 0.342 149 G C -0.265 174.638 174.900 0.006 0.000 1.258 149 G CA 0.945 46.045 45.100 -0.000 0.000 0.990 149 G HN 0.964 nan 8.290 nan 0.000 0.548 150 Q N -1.532 118.273 119.800 0.009 0.000 2.454 150 Q HA -0.161 4.181 4.340 0.003 0.000 0.341 150 Q C 1.484 177.507 176.000 0.038 0.000 1.437 150 Q CA 0.441 56.254 55.803 0.017 0.000 0.935 150 Q CB -1.507 27.233 28.738 0.003 0.000 1.164 150 Q HN 0.690 nan 8.270 nan 0.000 0.373 151 V N -0.073 119.869 119.914 0.046 0.000 2.343 151 V HA -0.269 3.853 4.120 0.003 0.000 0.247 151 V C 1.978 178.131 176.094 0.098 0.000 1.051 151 V CA 2.059 64.401 62.300 0.070 0.000 1.036 151 V CB -0.240 31.616 31.823 0.056 0.000 0.654 151 V HN 0.460 nan 8.190 nan 0.000 0.451 152 L N -0.077 121.197 121.223 0.084 0.000 2.017 152 L HA -0.072 4.270 4.340 0.003 0.000 0.208 152 L C -0.004 176.956 176.870 0.150 0.000 1.073 152 L CA 2.446 57.351 54.840 0.107 0.000 0.745 152 L CB -1.923 40.180 42.059 0.075 0.000 0.894 152 L HN 0.316 nan 8.230 nan 0.000 0.432 153 P HA -0.082 nan 4.420 nan 0.000 0.218 153 P C 1.630 179.073 177.300 0.237 0.000 1.149 153 P CA 1.263 64.457 63.100 0.156 0.000 0.817 153 P CB -0.049 31.690 31.700 0.066 0.000 0.785 154 T N -0.465 114.199 114.554 0.183 0.000 2.777 154 T HA -0.086 4.266 4.350 0.003 0.000 0.266 154 T C 1.737 176.635 174.700 0.330 0.000 1.040 154 T CA 0.990 63.225 62.100 0.226 0.000 1.141 154 T CB -0.849 68.111 68.868 0.153 0.000 0.868 154 T HN 0.052 nan 8.240 nan 0.000 0.444 155 I N 0.354 121.093 120.570 0.282 0.000 2.208 155 I HA -0.180 3.992 4.170 0.003 0.000 0.245 155 I C 2.103 178.413 176.117 0.322 0.000 1.097 155 I CA 1.419 62.895 61.300 0.294 0.000 1.363 155 I CB -0.345 37.816 38.000 0.269 0.000 1.051 155 I HN 0.186 nan 8.210 nan 0.000 0.413 156 F N 0.997 121.065 119.950 0.196 0.000 2.102 156 F HA -0.292 4.237 4.527 0.004 0.000 0.298 156 F C 2.212 178.122 175.800 0.182 0.000 1.105 156 F CA 1.550 59.649 58.000 0.165 0.000 1.239 156 F CB -0.515 38.571 39.000 0.142 0.000 0.991 156 F HN -0.016 nan 8.300 nan 0.000 0.474 157 F N 0.750 120.767 119.950 0.113 0.000 2.146 157 F HA -0.019 4.509 4.527 0.003 0.000 0.298 157 F C 2.331 178.173 175.800 0.070 0.000 1.096 157 F CA 1.360 59.371 58.000 0.017 0.000 1.275 157 F CB -0.980 38.070 39.000 0.084 0.000 1.008 157 F HN -0.003 nan 8.300 nan 0.000 0.480 158 A N 0.331 123.276 122.820 0.207 0.000 1.972 158 A HA -0.126 4.196 4.320 0.003 0.000 0.219 158 A C 2.328 179.814 177.584 -0.165 0.000 1.169 158 A CA 1.794 53.862 52.037 0.051 0.000 0.635 158 A CB -1.072 18.025 19.000 0.161 0.000 0.810 158 A HN 0.494 nan 8.150 nan 0.000 0.446 159 I N -1.159 119.321 120.570 -0.149 0.000 2.333 159 I HA -0.164 4.008 4.170 0.003 0.000 0.246 159 I C 2.061 177.983 176.117 -0.325 0.000 1.106 159 I CA 0.861 62.032 61.300 -0.214 0.000 1.411 159 I CB -0.135 37.763 38.000 -0.170 0.000 1.082 159 I HN 0.210 nan 8.210 nan 0.000 0.420 160 I N 0.110 120.400 120.570 -0.466 0.000 2.546 160 I HA -0.228 3.944 4.170 0.003 0.000 0.255 160 I C 2.137 177.985 176.117 -0.449 0.000 1.163 160 I CA 1.234 62.233 61.300 -0.502 0.000 1.457 160 I CB -0.328 37.268 38.000 -0.672 0.000 1.092 160 I HN 0.142 nan 8.210 nan 0.000 0.434 161 L N 0.034 120.932 121.223 -0.542 0.000 2.131 161 L HA 0.079 4.421 4.340 0.003 0.000 0.206 161 L C 2.341 179.037 176.870 -0.291 0.000 1.087 161 L CA 1.761 56.322 54.840 -0.465 0.000 0.767 161 L CB -1.077 40.633 42.059 -0.581 0.000 0.917 161 L HN 0.220 nan 8.230 nan 0.000 0.441 162 G N -0.594 108.042 108.800 -0.274 0.000 2.422 162 G HA2 -0.221 3.741 3.960 0.003 0.000 0.218 162 G HA3 -0.221 3.741 3.960 0.003 0.000 0.218 162 G C 1.490 176.299 174.900 -0.152 0.000 1.140 162 G CA 0.926 45.907 45.100 -0.198 0.000 0.775 162 G HN 0.356 nan 8.290 nan 0.000 0.545 163 I N 1.503 121.961 120.570 -0.187 0.000 2.353 163 I HA 0.062 4.234 4.170 0.003 0.000 0.248 163 I C 3.065 179.089 176.117 -0.154 0.000 1.119 163 I CA 1.005 62.209 61.300 -0.161 0.000 1.417 163 I CB -0.215 37.639 38.000 -0.242 0.000 1.078 163 I HN 0.191 nan 8.210 nan 0.000 0.421 164 A N -0.076 122.623 122.820 -0.201 0.000 1.898 164 A HA -0.170 4.152 4.320 0.003 0.000 0.216 164 A C 2.382 179.949 177.584 -0.028 0.000 1.181 164 A CA 1.562 53.509 52.037 -0.151 0.000 0.620 164 A CB -0.863 18.039 19.000 -0.163 0.000 0.819 164 A HN 0.422 nan 8.150 nan 0.000 0.442 165 I N -0.897 119.644 120.570 -0.048 0.000 3.111 165 I HA -0.109 4.063 4.170 0.003 0.000 0.272 165 I C 2.047 178.171 176.117 0.012 0.000 1.268 165 I CA 1.104 62.392 61.300 -0.021 0.000 1.467 165 I CB 0.082 38.049 38.000 -0.054 0.000 1.087 165 I HN 0.265 nan 8.210 nan 0.000 0.467 166 T N -0.162 114.420 114.554 0.047 0.000 2.809 166 T HA -0.130 4.222 4.350 0.003 0.000 0.260 166 T C 1.437 176.207 174.700 0.117 0.000 1.039 166 T CA 1.238 63.383 62.100 0.075 0.000 1.141 166 T CB -0.221 68.707 68.868 0.099 0.000 0.869 166 T HN 0.271 nan 8.240 nan 0.000 0.437 167 Y N 0.644 120.911 120.300 -0.054 0.000 2.574 167 Y HA 0.119 4.671 4.550 0.004 0.000 0.294 167 Y C 1.799 177.677 175.900 -0.035 0.000 1.142 167 Y CA -0.073 58.001 58.100 -0.043 0.000 1.314 167 Y CB -0.293 38.139 38.460 -0.045 0.000 0.991 167 Y HN 0.126 nan 8.280 nan 0.000 0.555 168 L N -1.315 119.973 121.223 0.109 0.000 2.162 168 L HA -0.049 4.293 4.340 0.003 0.000 0.205 168 L C 2.006 178.887 176.870 0.019 0.000 1.086 168 L CA 1.406 56.276 54.840 0.050 0.000 0.778 168 L CB -0.515 41.564 42.059 0.032 0.000 0.928 168 L HN 0.156 nan 8.230 nan 0.000 0.446 169 M N -0.620 118.986 119.600 0.009 0.000 2.659 169 M HA -0.023 4.459 4.480 0.003 0.000 0.243 169 M C 0.473 176.758 176.300 -0.024 0.000 1.111 169 M CA 0.403 55.699 55.300 -0.008 0.000 1.070 169 M CB -0.039 32.554 32.600 -0.012 0.000 1.525 169 M HN 0.194 nan 8.290 nan 0.000 0.517 170 N N 0.293 118.971 118.700 -0.037 0.000 2.251 170 N HA 0.126 4.868 4.740 0.003 0.000 0.217 170 N C 0.108 175.591 175.510 -0.045 0.000 1.124 170 N CA 0.112 53.126 53.050 -0.061 0.000 0.843 170 N CB 0.108 38.523 38.487 -0.120 0.000 1.024 170 N HN 0.212 nan 8.380 nan 0.000 0.501 171 S N 0.282 115.969 115.700 -0.022 0.000 2.545 171 S HA 0.433 4.904 4.470 0.003 0.000 0.275 171 S C 1.244 175.836 174.600 -0.013 0.000 1.299 171 S CA -0.152 58.041 58.200 -0.012 0.000 1.048 171 S CB 0.277 63.478 63.200 0.001 0.000 0.938 171 S HN 0.349 nan 8.310 nan 0.000 0.496 172 E N 1.786 121.979 120.200 -0.012 0.000 2.516 172 E HA -0.001 4.351 4.350 0.003 0.000 0.199 172 E C 0.446 177.042 176.600 -0.006 0.000 1.069 172 E CA 0.699 57.092 56.400 -0.011 0.000 0.876 172 E CB -0.514 29.180 29.700 -0.011 0.000 0.843 172 E HN 0.744 nan 8.360 nan 0.000 0.530 173 N N -0.033 118.665 118.700 -0.003 0.000 2.419 173 N HA 0.289 5.031 4.740 0.003 0.000 0.277 173 N C -0.432 175.078 175.510 -0.000 0.000 1.006 173 N CA -0.375 52.675 53.050 -0.000 0.000 0.923 173 N CB 1.704 40.193 38.487 0.003 0.000 1.140 173 N HN 0.033 nan 8.380 nan 0.000 0.488 174 E N 1.955 122.155 120.200 -0.001 0.000 2.411 174 E HA 0.185 4.537 4.350 0.003 0.000 0.204 174 E C -0.046 176.555 176.600 0.002 0.000 1.059 174 E CA 0.194 56.593 56.400 -0.001 0.000 1.112 174 E CB 0.118 29.817 29.700 -0.002 0.000 1.168 174 E HN 0.605 nan 8.360 nan 0.000 0.445 175 K N -1.462 118.940 120.400 0.004 0.000 2.350 175 K HA 0.163 4.485 4.320 0.003 0.000 0.196 175 K C 2.054 178.659 176.600 0.008 0.000 1.084 175 K CA 0.769 57.060 56.287 0.006 0.000 0.967 175 K CB 0.240 32.744 32.500 0.007 0.000 0.950 175 K HN 0.090 nan 8.250 nan 0.000 0.512 176 V N 1.939 121.858 119.914 0.008 0.000 2.323 176 V HA -0.143 3.978 4.120 0.003 0.000 0.244 176 V C 2.430 178.529 176.094 0.008 0.000 1.041 176 V CA 2.646 64.953 62.300 0.010 0.000 1.025 176 V CB -1.265 30.564 31.823 0.011 0.000 0.656 176 V HN 0.296 nan 8.190 nan 0.000 0.451 177 R N 0.285 120.787 120.500 0.004 0.000 2.276 177 R HA 0.181 4.523 4.340 0.003 0.000 0.203 177 R C 2.309 178.610 176.300 0.001 0.000 1.017 177 R CA 1.991 58.091 56.100 0.001 0.000 1.010 177 R CB -1.488 28.809 30.300 -0.005 0.000 0.900 177 R HN 0.845 nan 8.270 nan 0.000 0.469 178 K N 0.588 120.990 120.400 0.003 0.000 2.044 178 K HA -0.027 4.295 4.320 0.003 0.000 0.204 178 K C 2.519 179.124 176.600 0.007 0.000 1.045 178 K CA 1.658 57.947 56.287 0.004 0.000 0.951 178 K CB -0.875 31.627 32.500 0.005 0.000 0.738 178 K HN 0.698 nan 8.250 nan 0.000 0.443 179 S N 0.648 116.354 115.700 0.010 0.000 2.383 179 S HA 0.101 4.573 4.470 0.003 0.000 0.227 179 S C 2.503 177.112 174.600 0.015 0.000 1.026 179 S CA 1.074 59.282 58.200 0.014 0.000 0.981 179 S CB -0.359 62.852 63.200 0.018 0.000 0.818 179 S HN 0.728 nan 8.310 nan 0.000 0.472 180 A N 1.770 124.597 122.820 0.011 0.000 1.972 180 A HA 0.084 4.406 4.320 0.003 0.000 0.219 180 A C 2.306 179.891 177.584 0.003 0.000 1.169 180 A CA 1.886 53.928 52.037 0.008 0.000 0.635 180 A CB -1.447 17.557 19.000 0.007 0.000 0.810 180 A HN 0.765 nan 8.150 nan 0.000 0.446 181 E N -0.561 119.640 120.200 0.002 0.000 2.152 181 E HA -0.095 4.256 4.350 0.003 0.000 0.192 181 E C 1.962 178.563 176.600 0.002 0.000 0.983 181 E CA 1.746 58.145 56.400 -0.001 0.000 0.818 181 E CB -1.551 28.148 29.700 -0.002 0.000 0.758 181 E HN 0.699 nan 8.360 nan 0.000 0.467 182 T N 0.773 115.331 114.554 0.007 0.000 2.708 182 T HA -0.117 4.235 4.350 0.003 0.000 0.266 182 T C 2.074 176.783 174.700 0.015 0.000 1.037 182 T CA 1.369 63.476 62.100 0.012 0.000 1.146 182 T CB -0.393 68.484 68.868 0.016 0.000 0.865 182 T HN 0.296 nan 8.240 nan 0.000 0.435 183 L N 0.837 122.071 121.223 0.018 0.000 2.017 183 L HA 0.112 4.454 4.340 0.003 0.000 0.208 183 L C 2.293 179.169 176.870 0.010 0.000 1.073 183 L CA 1.465 56.320 54.840 0.025 0.000 0.745 183 L CB -0.780 41.298 42.059 0.032 0.000 0.894 183 L HN 0.219 nan 8.230 nan 0.000 0.432 184 L N -0.846 120.374 121.223 -0.006 0.000 2.046 184 L HA -0.223 4.119 4.340 0.003 0.000 0.208 184 L C 2.126 178.986 176.870 -0.017 0.000 1.077 184 L CA 1.631 56.456 54.840 -0.025 0.000 0.747 184 L CB -0.506 41.534 42.059 -0.031 0.000 0.896 184 L HN 0.339 nan 8.230 nan 0.000 0.432 185 D N -0.215 120.182 120.400 -0.005 0.000 2.117 185 D HA -0.167 4.474 4.640 0.003 0.000 0.197 185 D C 2.189 178.496 176.300 0.011 0.000 0.987 185 D CA 1.422 55.424 54.000 0.002 0.000 0.829 185 D CB -0.053 40.750 40.800 0.005 0.000 0.961 185 D HN 0.469 nan 8.370 nan 0.000 0.460 186 A N 0.792 123.622 122.820 0.017 0.000 1.883 186 A HA -0.166 4.155 4.320 0.003 0.000 0.217 186 A C 2.412 180.015 177.584 0.031 0.000 1.186 186 A CA 1.046 53.100 52.037 0.028 0.000 0.624 186 A CB -0.810 18.212 19.000 0.036 0.000 0.822 186 A HN 0.218 nan 8.150 nan 0.000 0.444 187 I N -0.166 120.415 120.570 0.019 0.000 2.286 187 I HA -0.254 3.918 4.170 0.003 0.000 0.248 187 I C 2.357 178.472 176.117 -0.004 0.000 1.115 187 I CA 1.582 62.883 61.300 0.000 0.000 1.392 187 I CB -0.323 37.638 38.000 -0.064 0.000 1.065 187 I HN 0.416 nan 8.210 nan 0.000 0.418 188 N N 1.114 119.813 118.700 -0.002 0.000 2.309 188 N HA -0.111 4.631 4.740 0.003 0.000 0.182 188 N C 1.835 177.370 175.510 0.042 0.000 1.018 188 N CA 1.446 54.506 53.050 0.016 0.000 0.876 188 N CB -0.291 38.199 38.487 0.005 0.000 0.972 188 N HN 0.296 nan 8.380 nan 0.000 0.434 189 G N 0.618 109.441 108.800 0.038 0.000 2.421 189 G HA2 -0.223 3.738 3.960 0.003 0.000 0.216 189 G HA3 -0.223 3.738 3.960 0.003 0.000 0.216 189 G C 1.458 176.396 174.900 0.062 0.000 1.171 189 G CA 0.901 46.029 45.100 0.047 0.000 0.775 189 G HN 0.365 nan 8.290 nan 0.000 0.543 190 L N 1.310 122.570 121.223 0.061 0.000 2.046 190 L HA 0.131 4.472 4.340 0.003 0.000 0.208 190 L C 3.133 180.052 176.870 0.082 0.000 1.077 190 L CA 2.095 56.976 54.840 0.069 0.000 0.747 190 L CB -0.708 41.398 42.059 0.077 0.000 0.896 190 L HN 0.264 nan 8.230 nan 0.000 0.432 191 A N -0.584 122.294 122.820 0.096 0.000 1.849 191 A HA -0.314 4.008 4.320 0.003 0.000 0.217 191 A C 2.231 179.994 177.584 0.298 0.000 1.202 191 A CA 2.100 54.237 52.037 0.167 0.000 0.629 191 A CB -1.011 18.092 19.000 0.172 0.000 0.834 191 A HN 0.497 nan 8.150 nan 0.000 0.447 192 E N -0.463 119.886 120.200 0.249 0.000 2.160 192 E HA -0.086 4.265 4.350 0.003 0.000 0.195 192 E C 2.119 178.843 176.600 0.206 0.000 0.991 192 E CA 1.320 57.866 56.400 0.244 0.000 0.810 192 E CB -0.376 29.393 29.700 0.115 0.000 0.742 192 E HN 0.579 nan 8.360 nan 0.000 0.466 193 A N 0.060 122.961 122.820 0.135 0.000 1.898 193 A HA -0.188 4.134 4.320 0.003 0.000 0.216 193 A C 1.954 179.586 177.584 0.079 0.000 1.181 193 A CA 1.630 53.722 52.037 0.092 0.000 0.620 193 A CB -0.323 18.716 19.000 0.064 0.000 0.819 193 A HN 0.170 nan 8.150 nan 0.000 0.442 194 M N -1.518 118.111 119.600 0.048 0.000 2.229 194 M HA -0.051 4.431 4.480 0.003 0.000 0.264 194 M C 1.916 178.186 176.300 -0.050 0.000 1.063 194 M CA 0.983 56.262 55.300 -0.035 0.000 1.114 194 M CB -1.718 30.811 32.600 -0.118 0.000 1.387 194 M HN 0.553 nan 8.290 nan 0.000 0.420 195 Y N 1.119 121.450 120.300 0.051 0.000 2.293 195 Y HA -0.202 4.350 4.550 0.003 0.000 0.291 195 Y C 2.794 178.719 175.900 0.041 0.000 1.137 195 Y CA 2.098 60.227 58.100 0.049 0.000 1.202 195 Y CB -0.801 37.691 38.460 0.054 0.000 0.990 195 Y HN 0.403 nan 8.280 nan 0.000 0.537 196 K N 0.732 121.241 120.400 0.182 0.000 2.103 196 K HA -0.030 4.291 4.320 0.003 0.000 0.204 196 K C 1.576 178.227 176.600 0.084 0.000 1.052 196 K CA 1.697 58.053 56.287 0.115 0.000 0.945 196 K CB -1.225 31.329 32.500 0.090 0.000 0.722 196 K HN 0.476 nan 8.250 nan 0.000 0.443 197 I N 0.123 120.733 120.570 0.066 0.000 2.676 197 I HA -0.088 4.083 4.170 0.003 0.000 0.259 197 I C 2.272 178.420 176.117 0.052 0.000 1.194 197 I CA 0.394 61.723 61.300 0.047 0.000 1.473 197 I CB 0.214 38.229 38.000 0.025 0.000 1.096 197 I HN 0.134 nan 8.210 nan 0.000 0.443 198 V N 1.395 121.340 119.914 0.053 0.000 2.809 198 V HA -0.168 3.953 4.120 0.003 0.000 0.256 198 V C 2.035 178.185 176.094 0.093 0.000 1.080 198 V CA 1.795 64.131 62.300 0.059 0.000 1.102 198 V CB -0.587 31.259 31.823 0.037 0.000 0.705 198 V HN 0.478 nan 8.190 nan 0.000 0.475 199 N N 0.166 118.923 118.700 0.096 0.000 2.250 199 N HA -0.059 4.682 4.740 0.003 0.000 0.181 199 N C 1.760 177.326 175.510 0.093 0.000 1.017 199 N CA 1.247 54.352 53.050 0.092 0.000 0.866 199 N CB -0.166 38.370 38.487 0.081 0.000 0.985 199 N HN 0.553 nan 8.380 nan 0.000 0.429 200 G N 1.906 110.758 108.800 0.087 0.000 2.453 200 G HA2 -0.184 3.777 3.960 0.003 0.000 0.215 200 G HA3 -0.184 3.777 3.960 0.003 0.000 0.215 200 G C 1.780 176.753 174.900 0.122 0.000 1.201 200 G CA 1.267 46.419 45.100 0.087 0.000 0.784 200 G HN 0.283 nan 8.290 nan 0.000 0.545 201 V N 0.555 120.545 119.914 0.127 0.000 2.568 201 V HA -0.041 4.081 4.120 0.003 0.000 0.253 201 V C 2.581 178.864 176.094 0.316 0.000 1.072 201 V CA 2.508 64.924 62.300 0.194 0.000 1.084 201 V CB -0.328 31.570 31.823 0.124 0.000 0.676 201 V HN 0.294 nan 8.190 nan 0.000 0.469 202 M N -1.330 118.411 119.600 0.236 0.000 2.562 202 M HA -0.011 4.470 4.480 0.003 0.000 0.257 202 M C 2.065 178.447 176.300 0.136 0.000 1.099 202 M CA 1.168 56.604 55.300 0.227 0.000 1.099 202 M CB 0.239 32.935 32.600 0.159 0.000 1.427 202 M HN 0.702 nan 8.290 nan 0.000 0.489 203 Q N -0.788 119.094 119.800 0.137 0.000 2.245 203 Q HA -0.125 4.217 4.340 0.003 0.000 0.201 203 Q C 1.551 177.601 176.000 0.084 0.000 0.955 203 Q CA 1.233 57.090 55.803 0.089 0.000 0.870 203 Q CB -0.247 28.547 28.738 0.093 0.000 0.945 203 Q HN 0.512 nan 8.270 nan 0.000 0.461 204 Y N -0.405 119.908 120.300 0.021 0.000 2.519 204 Y HA 0.208 4.759 4.550 0.003 0.000 0.287 204 Y C 1.714 177.552 175.900 -0.104 0.000 1.128 204 Y CA 0.496 58.594 58.100 -0.002 0.000 1.282 204 Y CB -0.339 38.173 38.460 0.087 0.000 1.027 204 Y HN 0.138 nan 8.280 nan 0.000 0.551 205 A N 1.928 124.610 122.820 -0.230 0.000 1.915 205 A HA -0.244 4.078 4.320 0.003 0.000 0.220 205 A C 0.042 177.233 177.584 -0.655 0.000 1.198 205 A CA 2.173 53.756 52.037 -0.756 0.000 0.647 205 A CB -2.069 16.662 19.000 -0.449 0.000 0.825 205 A HN 0.459 nan 8.150 nan 0.000 0.456 206 P HA -0.138 nan 4.420 nan 0.000 0.218 206 P C 1.389 178.511 177.300 -0.297 0.000 1.148 206 P CA 1.020 63.947 63.100 -0.289 0.000 0.822 206 P CB -0.190 31.378 31.700 -0.219 0.000 0.784 207 I N -0.132 120.162 120.570 -0.461 0.000 2.286 207 I HA -0.060 4.112 4.170 0.003 0.000 0.245 207 I C 2.640 178.556 176.117 -0.335 0.000 1.104 207 I CA 1.638 62.680 61.300 -0.429 0.000 1.397 207 I CB -2.081 35.544 38.000 -0.626 0.000 1.072 207 I HN 0.005 nan 8.210 nan 0.000 0.417 208 G N 0.756 109.185 108.800 -0.617 0.000 2.404 208 G HA2 -0.136 3.826 3.960 0.003 0.000 0.215 208 G HA3 -0.136 3.826 3.960 0.003 0.000 0.215 208 G C 1.861 176.658 174.900 -0.171 0.000 1.174 208 G CA 0.786 45.710 45.100 -0.292 0.000 0.780 208 G HN 0.221 nan 8.290 nan 0.000 0.537 209 V N 0.749 120.460 119.914 -0.337 0.000 2.255 209 V HA -0.209 3.913 4.120 0.003 0.000 0.247 209 V C 2.352 178.450 176.094 0.007 0.000 1.051 209 V CA 2.138 64.357 62.300 -0.135 0.000 1.018 209 V CB -0.744 30.983 31.823 -0.159 0.000 0.641 209 V HN 0.430 nan 8.190 nan 0.000 0.445 210 F N 1.630 121.514 119.950 -0.111 0.000 2.091 210 F HA -0.270 4.259 4.527 0.003 0.000 0.299 210 F C 2.163 177.973 175.800 0.017 0.000 1.103 210 F CA 2.047 60.020 58.000 -0.046 0.000 1.228 210 F CB -0.389 38.567 39.000 -0.074 0.000 0.984 210 F HN 0.082 nan 8.300 nan 0.000 0.477 211 A N -0.100 122.680 122.820 -0.067 0.000 2.167 211 A HA 0.078 4.400 4.320 0.003 0.000 0.214 211 A C 2.097 179.653 177.584 -0.045 0.000 1.151 211 A CA 0.937 52.910 52.037 -0.107 0.000 0.735 211 A CB -0.773 18.339 19.000 0.187 0.000 0.802 211 A HN 0.556 nan 8.150 nan 0.000 0.467 212 L N -0.801 120.421 121.223 -0.001 0.000 2.145 212 L HA -0.015 4.327 4.340 0.003 0.000 0.201 212 L C 2.074 178.981 176.870 0.062 0.000 1.075 212 L CA 0.822 55.702 54.840 0.065 0.000 0.773 212 L CB -0.295 41.831 42.059 0.113 0.000 0.936 212 L HN 0.498 nan 8.230 nan 0.000 0.451 213 I N -1.684 118.897 120.570 0.018 0.000 2.928 213 I HA 0.030 4.202 4.170 0.003 0.000 0.266 213 I C 2.397 178.488 176.117 -0.044 0.000 1.234 213 I CA 0.992 62.304 61.300 0.020 0.000 1.483 213 I CB -1.031 37.010 38.000 0.069 0.000 1.097 213 I HN -0.006 nan 8.210 nan 0.000 0.455 214 A N -0.000 122.733 122.820 -0.145 0.000 2.067 214 A HA -0.143 4.179 4.320 0.003 0.000 0.219 214 A C 2.254 179.823 177.584 -0.025 0.000 1.158 214 A CA 1.356 53.279 52.037 -0.190 0.000 0.661 214 A CB -0.849 17.872 19.000 -0.466 0.000 0.801 214 A HN 0.592 nan 8.150 nan 0.000 0.452 215 Y N -0.631 119.614 120.300 -0.092 0.000 2.396 215 Y HA 0.065 4.617 4.550 0.003 0.000 0.292 215 Y C 2.154 178.030 175.900 -0.040 0.000 1.128 215 Y CA 1.151 59.222 58.100 -0.049 0.000 1.194 215 Y CB 0.117 38.560 38.460 -0.030 0.000 1.124 215 Y HN 0.018 nan 8.280 nan 0.000 0.543 216 V N 0.444 120.330 119.914 -0.047 0.000 2.427 216 V HA -0.290 3.832 4.120 0.003 0.000 0.248 216 V C 2.181 178.192 176.094 -0.138 0.000 1.051 216 V CA 1.807 64.037 62.300 -0.117 0.000 1.048 216 V CB -0.558 31.250 31.823 -0.025 0.000 0.666 216 V HN 0.401 nan 8.190 nan 0.000 0.456 217 M N -0.504 119.046 119.600 -0.083 0.000 2.419 217 M HA 0.078 4.559 4.480 0.003 0.000 0.264 217 M C 2.193 178.450 176.300 -0.071 0.000 1.082 217 M CA 1.520 56.787 55.300 -0.055 0.000 1.119 217 M CB -1.109 31.485 32.600 -0.011 0.000 1.398 217 M HN 0.410 nan 8.290 nan 0.000 0.453 218 A N -0.306 122.440 122.820 -0.123 0.000 1.903 218 A HA -0.022 4.300 4.320 0.003 0.000 0.213 218 A C 2.119 179.590 177.584 -0.189 0.000 1.185 218 A CA 0.898 52.868 52.037 -0.111 0.000 0.628 218 A CB -0.131 18.825 19.000 -0.073 0.000 0.830 218 A HN 0.361 nan 8.150 nan 0.000 0.446 219 E N -0.787 119.194 120.200 -0.365 0.000 2.276 219 E HA 0.007 4.359 4.350 0.003 0.000 0.193 219 E C 1.245 177.696 176.600 -0.247 0.000 0.983 219 E CA 0.601 56.770 56.400 -0.386 0.000 0.861 219 E CB 0.218 29.483 29.700 -0.725 0.000 0.817 219 E HN 0.712 nan 8.360 nan 0.000 0.485 220 Q N -1.416 118.267 119.800 -0.194 0.000 2.126 220 Q HA 0.155 4.496 4.340 0.003 0.000 0.233 220 Q C 1.663 177.641 176.000 -0.037 0.000 0.788 220 Q CA 0.263 56.013 55.803 -0.089 0.000 0.968 220 Q CB 1.355 30.034 28.738 -0.098 0.000 1.163 220 Q HN 0.120 nan 8.270 nan 0.000 0.471 221 G N 1.267 110.035 108.800 -0.054 0.000 2.395 221 G HA2 -0.119 3.843 3.960 0.003 0.000 0.214 221 G HA3 -0.119 3.843 3.960 0.003 0.000 0.214 221 G C 1.301 176.212 174.900 0.019 0.000 1.177 221 G CA 0.907 45.996 45.100 -0.018 0.000 0.794 221 G HN 0.300 nan 8.290 nan 0.000 0.532 222 V N 0.197 120.111 119.914 0.000 0.000 3.515 222 V HA 0.330 4.452 4.120 0.003 0.000 0.298 222 V C 1.281 177.351 176.094 -0.040 0.000 1.206 222 V CA 1.773 64.031 62.300 -0.069 0.000 1.253 222 V CB -0.877 30.796 31.823 -0.250 0.000 1.035 222 V HN 0.481 nan 8.190 nan 0.000 0.428 223 H N -1.898 117.110 119.070 -0.102 0.000 3.650 223 H HA 0.268 4.826 4.556 0.003 0.000 0.260 223 H C 1.156 176.445 175.328 -0.065 0.000 1.194 223 H CA 0.706 56.699 56.048 -0.092 0.000 1.135 223 H CB 1.266 30.966 29.762 -0.103 0.000 1.612 223 H HN 0.101 nan 8.280 nan 0.000 0.703 224 V N 0.307 120.184 119.914 -0.062 0.000 3.461 224 V HA 0.302 4.424 4.120 0.003 0.000 0.267 224 V C 1.245 177.282 176.094 -0.095 0.000 1.186 224 V CA 0.893 63.129 62.300 -0.107 0.000 1.154 224 V CB -0.741 31.034 31.823 -0.081 0.000 0.802 224 V HN 0.380 nan 8.190 nan 0.000 0.474 225 V N -0.172 119.704 119.914 -0.062 0.000 3.441 225 V HA 0.723 4.844 4.120 0.003 0.000 0.300 225 V C 1.125 177.183 176.094 -0.059 0.000 1.091 225 V CA 0.409 62.691 62.300 -0.031 0.000 1.099 225 V CB -0.105 31.731 31.823 0.022 0.000 1.138 225 V HN 0.790 nan 8.190 nan 0.000 0.471 226 G N 0.053 108.840 108.800 -0.022 0.000 2.584 226 G HA2 -0.176 3.786 3.960 0.003 0.000 0.229 226 G HA3 -0.176 3.786 3.960 0.003 0.000 0.229 226 G C 0.555 175.457 174.900 0.005 0.000 1.320 226 G CA 0.378 45.471 45.100 -0.012 0.000 0.891 226 G HN 1.060 nan 8.290 nan 0.000 0.573 227 E N -0.026 120.191 120.200 0.028 0.000 2.265 227 E HA -0.047 4.305 4.350 0.003 0.000 0.196 227 E C 2.739 179.393 176.600 0.089 0.000 0.996 227 E CA 1.263 57.709 56.400 0.077 0.000 0.832 227 E CB -0.164 29.603 29.700 0.111 0.000 0.756 227 E HN 0.495 nan 8.360 nan 0.000 0.491 228 L N -0.240 120.992 121.223 0.014 0.000 2.376 228 L HA -0.063 4.278 4.340 0.003 0.000 0.219 228 L C 2.384 179.202 176.870 -0.086 0.000 1.133 228 L CA 0.646 55.447 54.840 -0.064 0.000 0.816 228 L CB -0.350 41.610 42.059 -0.165 0.000 0.933 228 L HN 0.012 nan 8.230 nan 0.000 0.449 229 A N 0.284 123.069 122.820 -0.058 0.000 1.930 229 A HA -0.157 4.165 4.320 0.003 0.000 0.217 229 A C 2.319 179.864 177.584 -0.065 0.000 1.175 229 A CA 1.241 53.240 52.037 -0.064 0.000 0.627 229 A CB -0.201 18.780 19.000 -0.030 0.000 0.815 229 A HN 0.298 nan 8.150 nan 0.000 0.443 230 K N -0.253 120.137 120.400 -0.015 0.000 2.217 230 K HA -0.010 4.311 4.320 0.003 0.000 0.202 230 K C 1.774 178.298 176.600 -0.126 0.000 1.051 230 K CA 1.140 57.417 56.287 -0.017 0.000 0.952 230 K CB -0.175 32.392 32.500 0.113 0.000 0.736 230 K HN 0.372 nan 8.250 nan 0.000 0.453 231 V N 1.457 121.328 119.914 -0.071 0.000 2.283 231 V HA -0.225 3.897 4.120 0.003 0.000 0.243 231 V C 2.456 178.460 176.094 -0.149 0.000 1.039 231 V CA 2.329 64.572 62.300 -0.095 0.000 1.016 231 V CB -1.028 30.715 31.823 -0.133 0.000 0.650 231 V HN 0.440 nan 8.190 nan 0.000 0.449 232 T N -0.001 114.454 114.554 -0.165 0.000 2.759 232 T HA -0.191 4.161 4.350 0.003 0.000 0.269 232 T C 1.923 176.484 174.700 -0.233 0.000 1.042 232 T CA 1.606 63.578 62.100 -0.214 0.000 1.140 232 T CB -0.558 68.142 68.868 -0.280 0.000 0.864 232 T HN 0.500 nan 8.240 nan 0.000 0.455 233 A N 1.898 124.563 122.820 -0.257 0.000 1.872 233 A HA 0.444 4.766 4.320 0.003 0.000 0.214 233 A C 2.813 180.109 177.584 -0.480 0.000 1.187 233 A CA 1.529 53.390 52.037 -0.293 0.000 0.614 233 A CB -1.331 17.502 19.000 -0.277 0.000 0.826 233 A HN 0.651 nan 8.150 nan 0.000 0.442 234 A N -0.549 121.794 122.820 -0.794 0.000 1.972 234 A HA 0.037 4.359 4.320 0.003 0.000 0.219 234 A C 2.195 179.654 177.584 -0.208 0.000 1.169 234 A CA 1.785 53.364 52.037 -0.762 0.000 0.635 234 A CB -0.748 17.894 19.000 -0.596 0.000 0.810 234 A HN 0.355 nan 8.150 nan 0.000 0.446 235 V N -1.796 118.073 119.914 -0.076 0.000 2.283 235 V HA -0.207 3.915 4.120 0.003 0.000 0.243 235 V C 2.333 178.527 176.094 0.165 0.000 1.039 235 V CA 1.706 64.059 62.300 0.089 0.000 1.016 235 V CB -1.008 30.928 31.823 0.188 0.000 0.650 235 V HN 0.600 nan 8.190 nan 0.000 0.449 236 Y N 0.156 120.428 120.300 -0.046 0.000 2.242 236 Y HA -0.136 4.415 4.550 0.003 0.000 0.291 236 Y C 2.491 178.392 175.900 0.003 0.000 1.137 236 Y CA 1.027 59.126 58.100 -0.002 0.000 1.181 236 Y CB -0.783 37.682 38.460 0.008 0.000 0.989 236 Y HN -0.001 nan 8.280 nan 0.000 0.527 237 V N -0.693 119.301 119.914 0.133 0.000 2.343 237 V HA -0.266 3.855 4.120 0.003 0.000 0.247 237 V C 2.542 178.677 176.094 0.069 0.000 1.051 237 V CA 1.930 64.294 62.300 0.107 0.000 1.036 237 V CB -1.395 30.532 31.823 0.174 0.000 0.654 237 V HN 0.532 nan 8.190 nan 0.000 0.451 238 G N -0.151 108.683 108.800 0.056 0.000 2.446 238 G HA2 -0.234 3.728 3.960 0.003 0.000 0.217 238 G HA3 -0.234 3.728 3.960 0.003 0.000 0.217 238 G C 1.569 176.469 174.900 -0.000 0.000 1.168 238 G CA 1.059 46.177 45.100 0.030 0.000 0.771 238 G HN 0.485 nan 8.290 nan 0.000 0.551 239 L N 0.411 121.629 121.223 -0.009 0.000 2.141 239 L HA -0.047 4.294 4.340 0.003 0.000 0.209 239 L C 3.148 179.986 176.870 -0.053 0.000 1.094 239 L CA 1.378 56.191 54.840 -0.045 0.000 0.763 239 L CB -0.629 41.359 42.059 -0.120 0.000 0.908 239 L HN 0.163 nan 8.230 nan 0.000 0.437 240 T N -0.001 114.525 114.554 -0.046 0.000 2.737 240 T HA -0.132 4.219 4.350 0.003 0.000 0.265 240 T C 1.865 176.516 174.700 -0.081 0.000 1.038 240 T CA 1.089 63.156 62.100 -0.055 0.000 1.144 240 T CB -0.183 68.672 68.868 -0.021 0.000 0.866 240 T HN 0.055 nan 8.240 nan 0.000 0.434 241 L N 1.054 122.243 121.223 -0.057 0.000 2.201 241 L HA -0.024 4.318 4.340 0.003 0.000 0.212 241 L C 2.602 179.399 176.870 -0.122 0.000 1.105 241 L CA 1.313 56.110 54.840 -0.072 0.000 0.775 241 L CB -0.617 41.425 42.059 -0.029 0.000 0.913 241 L HN 0.201 nan 8.230 nan 0.000 0.440 242 Q N -0.029 119.690 119.800 -0.135 0.000 2.046 242 Q HA -0.170 4.172 4.340 0.003 0.000 0.200 242 Q C 2.204 177.987 176.000 -0.361 0.000 0.975 242 Q CA 1.814 57.466 55.803 -0.252 0.000 0.836 242 Q CB -0.224 28.389 28.738 -0.208 0.000 0.896 242 Q HN 0.491 nan 8.270 nan 0.000 0.428 243 I N -0.124 120.350 120.570 -0.161 0.000 2.226 243 I HA -0.278 3.894 4.170 0.003 0.000 0.245 243 I C 2.030 178.041 176.117 -0.176 0.000 1.100 243 I CA 1.079 62.385 61.300 0.011 0.000 1.374 243 I CB -0.224 37.797 38.000 0.034 0.000 1.057 243 I HN 0.311 nan 8.210 nan 0.000 0.413 244 L N -0.493 120.562 121.223 -0.281 0.000 2.049 244 L HA -0.146 4.195 4.340 0.003 0.000 0.203 244 L C 2.416 179.213 176.870 -0.121 0.000 1.074 244 L CA 0.853 55.499 54.840 -0.324 0.000 0.749 244 L CB -0.468 41.430 42.059 -0.268 0.000 0.907 244 L HN 0.253 nan 8.230 nan 0.000 0.439 245 L N -0.940 120.202 121.223 -0.134 0.000 2.179 245 L HA -0.061 4.280 4.340 0.003 0.000 0.208 245 L C 2.229 178.986 176.870 -0.188 0.000 1.096 245 L CA 1.323 56.088 54.840 -0.125 0.000 0.779 245 L CB -0.480 41.506 42.059 -0.122 0.000 0.922 245 L HN 0.084 nan 8.230 nan 0.000 0.443 246 V N -2.418 117.333 119.914 -0.272 0.000 3.048 246 V HA -0.088 4.034 4.120 0.003 0.000 0.241 246 V C 2.089 178.101 176.094 -0.135 0.000 1.129 246 V CA 0.465 62.548 62.300 -0.363 0.000 1.128 246 V CB 0.241 31.726 31.823 -0.563 0.000 0.849 246 V HN 0.243 nan 8.190 nan 0.000 0.475 247 Y N -1.285 119.031 120.300 0.026 0.000 2.201 247 Y HA -0.085 4.467 4.550 0.003 0.000 0.292 247 Y C 2.294 178.287 175.900 0.155 0.000 1.119 247 Y CA 1.680 59.839 58.100 0.099 0.000 1.127 247 Y CB -0.180 38.378 38.460 0.163 0.000 1.019 247 Y HN 0.174 nan 8.280 nan 0.000 0.514 248 F N -0.852 119.149 119.950 0.086 0.000 2.186 248 F HA -0.232 4.297 4.527 0.003 0.000 0.299 248 F C 2.205 178.007 175.800 0.002 0.000 1.090 248 F CA 0.473 58.486 58.000 0.023 0.000 1.307 248 F CB -0.243 38.777 39.000 0.033 0.000 1.019 248 F HN -0.140 nan 8.300 nan 0.000 0.489 249 V N 0.334 120.354 119.914 0.177 0.000 2.307 249 V HA -0.287 3.835 4.120 0.003 0.000 0.245 249 V C 2.153 178.294 176.094 0.077 0.000 1.045 249 V CA 1.526 63.876 62.300 0.083 0.000 1.024 249 V CB -0.469 31.366 31.823 0.020 0.000 0.651 249 V HN 0.303 nan 8.190 nan 0.000 0.449 250 L N -0.993 120.279 121.223 0.082 0.000 2.275 250 L HA -0.123 4.219 4.340 0.003 0.000 0.215 250 L C 2.268 179.200 176.870 0.104 0.000 1.119 250 L CA 0.712 55.625 54.840 0.121 0.000 0.790 250 L CB -0.284 41.845 42.059 0.117 0.000 0.919 250 L HN 0.322 nan 8.230 nan 0.000 0.443 251 L N -0.189 121.042 121.223 0.015 0.000 2.131 251 L HA -0.129 4.212 4.340 0.003 0.000 0.206 251 L C 2.437 179.285 176.870 -0.038 0.000 1.087 251 L CA 1.614 56.392 54.840 -0.103 0.000 0.767 251 L CB -0.389 41.488 42.059 -0.304 0.000 0.917 251 L HN 0.036 nan 8.230 nan 0.000 0.441 252 K N -0.338 120.052 120.400 -0.016 0.000 2.057 252 K HA -0.083 4.239 4.320 0.003 0.000 0.206 252 K C 1.923 178.543 176.600 0.035 0.000 1.050 252 K CA 1.128 57.413 56.287 -0.004 0.000 0.935 252 K CB -0.328 32.175 32.500 0.005 0.000 0.715 252 K HN 0.196 nan 8.250 nan 0.000 0.439 253 I N 0.514 121.133 120.570 0.082 0.000 3.241 253 I HA -0.168 4.003 4.170 0.003 0.000 0.280 253 I C 0.193 176.312 176.117 0.003 0.000 1.320 253 I CA 1.220 62.556 61.300 0.060 0.000 1.413 253 I CB -0.013 38.042 38.000 0.091 0.000 1.060 253 I HN 0.266 nan 8.210 nan 0.000 0.500 254 Y N 0.062 120.347 120.300 -0.025 0.000 2.557 254 Y HA 0.331 4.883 4.550 0.003 0.000 0.247 254 Y C 1.426 177.306 175.900 -0.034 0.000 1.164 254 Y CA 0.301 58.386 58.100 -0.025 0.000 1.218 254 Y CB 0.442 38.886 38.460 -0.027 0.000 1.210 254 Y HN 0.225 nan 8.280 nan 0.000 0.529 255 G N 1.945 110.776 108.800 0.051 0.000 2.256 255 G HA2 -0.303 3.659 3.960 0.003 0.000 0.272 255 G HA3 -0.303 3.659 3.960 0.003 0.000 0.272 255 G C -0.228 174.677 174.900 0.010 0.000 1.076 255 G CA 0.382 45.489 45.100 0.012 0.000 0.882 255 G HN 0.405 nan 8.290 nan 0.000 0.497 256 I N -0.110 120.457 120.570 -0.005 0.000 2.447 256 I HA 0.485 4.656 4.170 0.003 0.000 0.287 256 I C -0.161 175.915 176.117 -0.067 0.000 1.023 256 I CA -1.131 60.151 61.300 -0.030 0.000 1.083 256 I CB 1.258 39.241 38.000 -0.029 0.000 1.245 256 I HN 0.108 nan 8.210 nan 0.000 0.434 257 D N 9.064 129.434 120.400 -0.050 0.000 2.434 257 D HA 0.115 4.757 4.640 0.003 0.000 0.252 257 D C -1.735 174.504 176.300 -0.102 0.000 1.185 257 D CA -0.962 52.998 54.000 -0.067 0.000 0.886 257 D CB 1.324 42.105 40.800 -0.032 0.000 1.148 257 D HN 0.316 nan 8.370 nan 0.000 0.483 258 P HA -0.119 nan 4.420 nan 0.000 0.215 258 P C 0.930 178.061 177.300 -0.283 0.000 1.153 258 P CA 1.013 63.805 63.100 -0.514 0.000 0.853 258 P CB 0.143 31.273 31.700 -0.950 0.000 0.788 259 I N -1.146 119.346 120.570 -0.131 0.000 2.500 259 I HA -0.073 4.099 4.170 0.003 0.000 0.252 259 I C 2.662 178.821 176.117 0.071 0.000 1.142 259 I CA 1.741 63.051 61.300 0.016 0.000 1.451 259 I CB -1.603 36.422 38.000 0.042 0.000 1.093 259 I HN -0.123 nan 8.210 nan 0.000 0.430 260 S N 0.624 116.362 115.700 0.062 0.000 2.402 260 S HA -0.171 4.301 4.470 0.003 0.000 0.229 260 S C 2.031 176.715 174.600 0.141 0.000 1.021 260 S CA 1.155 59.419 58.200 0.107 0.000 0.974 260 S CB -0.803 62.425 63.200 0.047 0.000 0.800 260 S HN 0.400 nan 8.310 nan 0.000 0.484 261 F N 1.614 121.528 119.950 -0.061 0.000 2.113 261 F HA -0.017 4.511 4.527 0.003 0.000 0.297 261 F C 1.869 177.686 175.800 0.028 0.000 1.103 261 F CA 0.975 58.936 58.000 -0.066 0.000 1.248 261 F CB -0.013 38.912 39.000 -0.125 0.000 0.999 261 F HN 0.146 nan 8.300 nan 0.000 0.475 262 I N 1.610 122.281 120.570 0.167 0.000 2.315 262 I HA -0.235 3.937 4.170 0.003 0.000 0.248 262 I C 2.722 178.856 176.117 0.029 0.000 1.117 262 I CA 1.737 63.108 61.300 0.119 0.000 1.404 262 I CB -1.924 36.229 38.000 0.255 0.000 1.071 262 I HN 0.266 nan 8.210 nan 0.000 0.419 263 K N -0.037 120.399 120.400 0.061 0.000 2.097 263 K HA -0.213 4.109 4.320 0.003 0.000 0.206 263 K C 2.010 178.570 176.600 -0.067 0.000 1.049 263 K CA 1.867 58.163 56.287 0.014 0.000 0.933 263 K CB -1.361 31.162 32.500 0.037 0.000 0.717 263 K HN 0.451 nan 8.250 nan 0.000 0.442 264 H N -0.666 118.318 119.070 -0.143 0.000 2.403 264 H HA 0.340 4.898 4.556 0.003 0.000 0.298 264 H C 2.448 177.635 175.328 -0.236 0.000 1.059 264 H CA 1.230 57.168 56.048 -0.183 0.000 1.363 264 H CB 0.111 29.745 29.762 -0.213 0.000 1.410 264 H HN 0.532 nan 8.280 nan 0.000 0.528 265 A N 1.034 123.720 122.820 -0.224 0.000 2.067 265 A HA -0.056 4.266 4.320 0.003 0.000 0.217 265 A C 2.465 179.982 177.584 -0.112 0.000 1.156 265 A CA 1.442 53.321 52.037 -0.263 0.000 0.683 265 A CB -0.797 17.940 19.000 -0.438 0.000 0.808 265 A HN 0.469 nan 8.150 nan 0.000 0.455 266 K N 0.405 120.760 120.400 -0.076 0.000 2.097 266 K HA -0.328 3.994 4.320 0.003 0.000 0.214 266 K C 1.611 178.198 176.600 -0.022 0.000 1.052 266 K CA 2.477 58.740 56.287 -0.039 0.000 0.932 266 K CB -1.346 31.130 32.500 -0.041 0.000 0.716 266 K HN 0.549 nan 8.250 nan 0.000 0.455 267 D N -0.687 119.698 120.400 -0.024 0.000 2.097 267 D HA 0.071 4.713 4.640 0.003 0.000 0.197 267 D C 2.262 178.585 176.300 0.038 0.000 0.984 267 D CA 1.649 55.654 54.000 0.009 0.000 0.826 267 D CB -0.294 40.511 40.800 0.008 0.000 0.973 267 D HN 0.535 nan 8.370 nan 0.000 0.460 268 A N -0.204 122.624 122.820 0.014 0.000 1.968 268 A HA -0.092 4.230 4.320 0.003 0.000 0.217 268 A C 2.115 179.729 177.584 0.051 0.000 1.169 268 A CA 1.080 53.134 52.037 0.029 0.000 0.638 268 A CB -0.429 18.566 19.000 -0.008 0.000 0.812 268 A HN 0.143 nan 8.150 nan 0.000 0.446 269 M N -0.590 119.033 119.600 0.038 0.000 2.077 269 M HA 0.017 4.498 4.480 0.003 0.000 0.261 269 M C 1.900 178.268 176.300 0.112 0.000 1.070 269 M CA 1.473 56.812 55.300 0.065 0.000 1.125 269 M CB -0.323 32.298 32.600 0.035 0.000 1.339 269 M HN 0.379 nan 8.290 nan 0.000 0.409 270 L N -0.978 120.296 121.223 0.085 0.000 2.217 270 L HA -0.151 4.191 4.340 0.003 0.000 0.211 270 L C 2.405 179.393 176.870 0.196 0.000 1.107 270 L CA 1.552 56.458 54.840 0.111 0.000 0.783 270 L CB -1.035 41.048 42.059 0.039 0.000 0.919 270 L HN 0.498 nan 8.230 nan 0.000 0.442 271 T N -3.182 111.491 114.554 0.199 0.000 2.942 271 T HA -0.012 4.340 4.350 0.003 0.000 0.265 271 T C 1.938 176.772 174.700 0.224 0.000 1.062 271 T CA 0.747 63.021 62.100 0.289 0.000 1.139 271 T CB -0.185 68.869 68.868 0.310 0.000 0.883 271 T HN 0.260 nan 8.240 nan 0.000 0.468 272 A N 0.623 123.544 122.820 0.168 0.000 1.930 272 A HA 0.178 4.500 4.320 0.003 0.000 0.217 272 A C 1.985 179.655 177.584 0.143 0.000 1.175 272 A CA 0.932 53.044 52.037 0.124 0.000 0.627 272 A CB -1.079 17.982 19.000 0.101 0.000 0.815 272 A HN 0.498 nan 8.150 nan 0.000 0.443 273 F N 0.705 120.689 119.950 0.056 0.000 2.186 273 F HA -0.139 4.390 4.527 0.003 0.000 0.299 273 F C 2.127 177.968 175.800 0.069 0.000 1.090 273 F CA 1.998 60.027 58.000 0.049 0.000 1.307 273 F CB 0.232 39.257 39.000 0.042 0.000 1.019 273 F HN 0.130 nan 8.300 nan 0.000 0.489 274 V N -4.739 115.317 119.914 0.236 0.000 3.431 274 V HA 0.042 4.164 4.120 0.003 0.000 0.253 274 V C 1.712 177.891 176.094 0.142 0.000 1.184 274 V CA 1.354 63.757 62.300 0.171 0.000 1.104 274 V CB -0.587 31.371 31.823 0.225 0.000 0.799 274 V HN 0.214 nan 8.190 nan 0.000 0.462 275 T N 0.028 114.671 114.554 0.149 0.000 2.896 275 T HA 0.085 4.437 4.350 0.003 0.000 0.263 275 T C 1.077 175.788 174.700 0.018 0.000 1.050 275 T CA 1.015 63.166 62.100 0.085 0.000 1.140 275 T CB -0.287 68.605 68.868 0.039 0.000 0.877 275 T HN 0.538 nan 8.240 nan 0.000 0.457 276 R N 0.441 120.936 120.500 -0.009 0.000 3.651 276 R HA -0.116 4.226 4.340 0.003 0.000 0.292 276 R C -0.355 175.924 176.300 -0.035 0.000 1.161 276 R CA 0.443 56.512 56.100 -0.051 0.000 0.787 276 R CB -2.126 28.131 30.300 -0.073 0.000 1.249 276 R HN 0.308 nan 8.270 nan 0.000 0.476 277 S N -1.275 114.413 115.700 -0.020 0.000 2.647 277 S HA 0.424 4.895 4.470 0.003 0.000 0.300 277 S C 0.654 175.246 174.600 -0.013 0.000 1.129 277 S CA -0.469 57.718 58.200 -0.021 0.000 1.029 277 S CB 2.034 65.217 63.200 -0.029 0.000 1.007 277 S HN 0.212 nan 8.310 nan 0.000 0.484 278 S N 2.574 118.266 115.700 -0.013 0.000 2.345 278 S HA -0.078 4.394 4.470 0.003 0.000 0.219 278 S C 2.181 176.777 174.600 -0.006 0.000 1.031 278 S CA 1.810 60.006 58.200 -0.007 0.000 0.984 278 S CB -0.304 62.889 63.200 -0.012 0.000 0.874 278 S HN 0.909 nan 8.310 nan 0.000 0.451 279 S N 0.662 116.356 115.700 -0.009 0.000 2.453 279 S HA 0.072 4.543 4.470 0.003 0.000 0.231 279 S C 2.012 176.603 174.600 -0.015 0.000 1.005 279 S CA 1.121 59.317 58.200 -0.006 0.000 0.949 279 S CB -0.766 62.432 63.200 -0.003 0.000 0.774 279 S HN 0.490 nan 8.310 nan 0.000 0.510 280 G N 1.855 110.639 108.800 -0.026 0.000 2.422 280 G HA2 -0.102 3.860 3.960 0.003 0.000 0.218 280 G HA3 -0.102 3.860 3.960 0.003 0.000 0.218 280 G C 1.389 176.254 174.900 -0.060 0.000 1.146 280 G CA 1.248 46.318 45.100 -0.049 0.000 0.769 280 G HN 0.750 nan 8.290 nan 0.000 0.547 281 T N -1.136 113.398 114.554 -0.033 0.000 3.264 281 T HA 0.423 4.775 4.350 0.003 0.000 0.257 281 T C 1.885 176.585 174.700 -0.000 0.000 0.976 281 T CA -0.361 61.727 62.100 -0.020 0.000 0.908 281 T CB 0.186 69.062 68.868 0.014 0.000 1.082 281 T HN 0.114 nan 8.240 nan 0.000 0.567 282 L N 0.718 121.939 121.223 -0.004 0.000 2.046 282 L HA 0.052 4.394 4.340 0.003 0.000 0.208 282 L C -0.490 176.387 176.870 0.010 0.000 1.077 282 L CA 1.302 56.151 54.840 0.014 0.000 0.747 282 L CB -1.003 41.066 42.059 0.017 0.000 0.896 282 L HN 0.268 nan 8.230 nan 0.000 0.432 283 P HA -0.130 nan 4.420 nan 0.000 0.216 283 P C 1.758 179.056 177.300 -0.002 0.000 1.150 283 P CA 1.167 64.236 63.100 -0.052 0.000 0.837 283 P CB 0.082 31.738 31.700 -0.074 0.000 0.786 284 V N -0.389 119.535 119.914 0.017 0.000 2.488 284 V HA -0.164 3.958 4.120 0.003 0.000 0.246 284 V C 2.410 178.526 176.094 0.037 0.000 1.046 284 V CA 2.391 64.718 62.300 0.044 0.000 1.053 284 V CB -2.145 29.716 31.823 0.063 0.000 0.679 284 V HN 0.247 nan 8.190 nan 0.000 0.458 285 T N -2.229 112.343 114.554 0.031 0.000 2.915 285 T HA -0.108 4.244 4.350 0.003 0.000 0.269 285 T C 1.809 176.521 174.700 0.019 0.000 1.071 285 T CA 1.333 63.445 62.100 0.019 0.000 1.132 285 T CB -0.253 68.633 68.868 0.030 0.000 0.878 285 T HN 0.316 nan 8.240 nan 0.000 0.479 286 M N 0.449 120.093 119.600 0.072 0.000 2.160 286 M HA 0.137 4.619 4.480 0.003 0.000 0.264 286 M C 2.811 179.156 176.300 0.075 0.000 1.073 286 M CA 1.041 56.423 55.300 0.138 0.000 1.142 286 M CB -0.197 32.584 32.600 0.303 0.000 1.358 286 M HN 0.124 nan 8.290 nan 0.000 0.422 287 R N 0.311 120.940 120.500 0.216 0.000 2.096 287 R HA -0.121 4.220 4.340 0.003 0.000 0.235 287 R C 1.663 177.960 176.300 -0.006 0.000 1.127 287 R CA 1.484 57.725 56.100 0.236 0.000 0.968 287 R CB -0.459 30.000 30.300 0.265 0.000 0.861 287 R HN 0.238 nan 8.270 nan 0.000 0.440 288 V N 1.143 121.037 119.914 -0.034 0.000 2.759 288 V HA -0.127 3.994 4.120 0.003 0.000 0.256 288 V C 2.332 178.337 176.094 -0.149 0.000 1.080 288 V CA 1.604 63.860 62.300 -0.075 0.000 1.101 288 V CB -0.123 31.663 31.823 -0.063 0.000 0.698 288 V HN 0.531 nan 8.190 nan 0.000 0.477 289 A N -0.683 121.975 122.820 -0.270 0.000 1.984 289 A HA -0.071 4.251 4.320 0.003 0.000 0.214 289 A C 2.276 179.515 177.584 -0.575 0.000 1.173 289 A CA 1.268 53.057 52.037 -0.412 0.000 0.673 289 A CB -0.223 18.482 19.000 -0.490 0.000 0.830 289 A HN 0.466 nan 8.150 nan 0.000 0.453 290 K N -0.007 119.984 120.400 -0.681 0.000 2.062 290 K HA -0.099 4.223 4.320 0.003 0.000 0.205 290 K C 1.867 178.356 176.600 -0.186 0.000 1.051 290 K CA 1.361 57.399 56.287 -0.415 0.000 0.941 290 K CB -0.126 32.160 32.500 -0.356 0.000 0.719 290 K HN 0.522 nan 8.250 nan 0.000 0.440 291 E N 0.083 120.198 120.200 -0.141 0.000 2.338 291 E HA -0.148 4.204 4.350 0.003 0.000 0.197 291 E C 1.714 178.336 176.600 0.037 0.000 1.007 291 E CA 0.647 57.021 56.400 -0.043 0.000 0.849 291 E CB 0.112 29.795 29.700 -0.028 0.000 0.774 291 E HN 0.341 nan 8.360 nan 0.000 0.506 292 M N -1.570 118.014 119.600 -0.026 0.000 2.514 292 M HA 0.073 4.555 4.480 0.003 0.000 0.258 292 M C 1.071 177.321 176.300 -0.083 0.000 1.119 292 M CA 1.040 56.306 55.300 -0.057 0.000 1.111 292 M CB 0.811 33.331 32.600 -0.134 0.000 1.390 292 M HN 0.302 nan 8.290 nan 0.000 0.475 293 G N 0.943 109.708 108.800 -0.058 0.000 2.184 293 G HA2 -0.178 3.784 3.960 0.003 0.000 0.206 293 G HA3 -0.178 3.784 3.960 0.003 0.000 0.206 293 G C 0.109 175.014 174.900 0.008 0.000 0.995 293 G CA -0.298 44.787 45.100 -0.024 0.000 0.651 293 G HN 0.427 nan 8.290 nan 0.000 0.511 294 I N 2.775 123.354 120.570 0.015 0.000 2.634 294 I HA 0.386 4.558 4.170 0.003 0.000 0.284 294 I C 1.400 177.665 176.117 0.247 0.000 1.124 294 I CA 0.075 61.441 61.300 0.110 0.000 1.417 294 I CB 1.166 39.243 38.000 0.128 0.000 1.396 294 I HN 0.348 nan 8.210 nan 0.000 0.571 295 S N 3.745 119.560 115.700 0.192 0.000 2.585 295 S HA 0.128 4.600 4.470 0.003 0.000 0.273 295 S C 0.729 175.384 174.600 0.090 0.000 1.339 295 S CA -0.658 57.629 58.200 0.145 0.000 1.028 295 S CB 1.104 64.335 63.200 0.053 0.000 0.906 295 S HN 0.677 nan 8.310 nan 0.000 0.528 296 E N 1.774 121.912 120.200 -0.104 0.000 2.401 296 E HA -0.065 4.287 4.350 0.003 0.000 0.199 296 E C 1.958 178.379 176.600 -0.299 0.000 1.023 296 E CA 0.754 56.857 56.400 -0.494 0.000 0.859 296 E CB -0.538 28.967 29.700 -0.326 0.000 0.780 296 E HN 0.928 nan 8.360 nan 0.000 0.523 297 G N 0.833 109.555 108.800 -0.131 0.000 2.443 297 G HA2 -0.161 3.800 3.960 0.003 0.000 0.219 297 G HA3 -0.161 3.800 3.960 0.003 0.000 0.219 297 G C 1.485 176.370 174.900 -0.025 0.000 1.131 297 G CA 0.374 45.426 45.100 -0.080 0.000 0.775 297 G HN 0.119 nan 8.290 nan 0.000 0.547 298 I N -1.059 119.519 120.570 0.014 0.000 2.962 298 I HA 0.085 4.257 4.170 0.003 0.000 0.246 298 I C 2.407 178.618 176.117 0.156 0.000 1.091 298 I CA 0.380 61.747 61.300 0.111 0.000 1.469 298 I CB -0.338 37.728 38.000 0.109 0.000 1.324 298 I HN 0.274 nan 8.210 nan 0.000 0.461 299 Y N 1.083 121.444 120.300 0.101 0.000 2.352 299 Y HA -0.003 4.549 4.550 0.003 0.000 0.292 299 Y C 2.427 178.398 175.900 0.119 0.000 1.136 299 Y CA 1.156 59.313 58.100 0.095 0.000 1.227 299 Y CB -0.806 37.698 38.460 0.073 0.000 0.991 299 Y HN 0.143 nan 8.280 nan 0.000 0.545 300 S N 0.136 115.630 115.700 -0.342 0.000 2.515 300 S HA -0.042 4.430 4.470 0.003 0.000 0.231 300 S C 1.539 176.187 174.600 0.081 0.000 0.987 300 S CA 1.080 59.172 58.200 -0.181 0.000 0.936 300 S CB -0.825 62.197 63.200 -0.295 0.000 0.766 300 S HN 0.643 nan 8.310 nan 0.000 0.528 301 F N 1.722 121.658 119.950 -0.024 0.000 2.490 301 F HA 0.060 4.588 4.527 0.002 0.000 0.280 301 F C 2.464 178.318 175.800 0.089 0.000 1.030 301 F CA 1.700 59.718 58.000 0.030 0.000 1.367 301 F CB -0.381 38.621 39.000 0.004 0.000 1.131 301 F HN 0.131 nan 8.300 nan 0.000 0.632 302 T N -0.336 114.153 114.554 -0.108 0.000 2.904 302 T HA -0.071 4.281 4.350 0.003 0.000 0.267 302 T C 2.037 176.749 174.700 0.020 0.000 1.059 302 T CA 1.542 63.546 62.100 -0.159 0.000 1.137 302 T CB -0.814 68.063 68.868 0.016 0.000 0.879 302 T HN 0.367 nan 8.240 nan 0.000 0.467 303 L N 0.995 122.265 121.223 0.079 0.000 2.044 303 L HA 0.107 4.448 4.340 0.003 0.000 0.205 303 L C -0.338 176.564 176.870 0.053 0.000 1.075 303 L CA 0.940 55.842 54.840 0.103 0.000 0.747 303 L CB -1.217 40.939 42.059 0.161 0.000 0.903 303 L HN 0.237 nan 8.230 nan 0.000 0.435 304 P HA -0.127 nan 4.420 nan 0.000 0.220 304 P C 1.781 179.079 177.300 -0.004 0.000 1.152 304 P CA 0.827 63.943 63.100 0.027 0.000 0.812 304 P CB 0.118 31.851 31.700 0.054 0.000 0.792 305 L N 0.112 121.300 121.223 -0.058 0.000 2.083 305 L HA -0.019 4.323 4.340 0.003 0.000 0.209 305 L C 2.229 179.099 176.870 0.001 0.000 1.083 305 L CA 2.232 57.041 54.840 -0.053 0.000 0.752 305 L CB -1.446 40.481 42.059 -0.221 0.000 0.899 305 L HN -0.035 nan 8.230 nan 0.000 0.433 306 G N -1.474 107.329 108.800 0.005 0.000 2.484 306 G HA2 -0.103 3.859 3.960 0.003 0.000 0.218 306 G HA3 -0.103 3.859 3.960 0.003 0.000 0.218 306 G C 1.327 176.124 174.900 -0.171 0.000 1.130 306 G CA 0.439 45.408 45.100 -0.218 0.000 0.784 306 G HN 0.556 nan 8.290 nan 0.000 0.543 307 A N -0.077 122.704 122.820 -0.066 0.000 2.302 307 A HA 0.424 4.746 4.320 0.003 0.000 0.219 307 A C 1.788 179.350 177.584 -0.036 0.000 1.243 307 A CA 1.450 53.461 52.037 -0.042 0.000 0.856 307 A CB -0.018 18.976 19.000 -0.010 0.000 0.893 307 A HN 0.224 nan 8.150 nan 0.000 0.491 308 T N -2.127 112.399 114.554 -0.048 0.000 3.010 308 T HA 0.302 4.654 4.350 0.003 0.000 0.253 308 T C 1.282 175.966 174.700 -0.026 0.000 0.939 308 T CA 0.372 62.459 62.100 -0.022 0.000 0.910 308 T CB -0.001 68.870 68.868 0.004 0.000 1.226 308 T HN 0.289 nan 8.240 nan 0.000 0.508 309 I N 0.347 120.879 120.570 -0.064 0.000 3.812 309 I HA 0.276 4.447 4.170 0.003 0.000 0.292 309 I C 0.410 176.447 176.117 -0.134 0.000 1.206 309 I CA -0.062 61.210 61.300 -0.047 0.000 1.370 309 I CB 0.338 38.365 38.000 0.044 0.000 1.328 309 I HN 0.008 nan 8.210 nan 0.000 0.453 310 N N 2.101 120.582 118.700 -0.364 0.000 2.739 310 N HA 0.217 4.958 4.740 0.003 0.000 0.266 310 N C -0.687 174.717 175.510 -0.177 0.000 1.168 310 N CA 0.205 52.999 53.050 -0.426 0.000 1.055 310 N CB 0.048 37.922 38.487 -1.021 0.000 1.393 310 N HN 0.080 nan 8.380 nan 0.000 0.514 311 M N 1.865 121.423 119.600 -0.070 0.000 2.268 311 M HA 0.246 4.728 4.480 0.003 0.000 0.340 311 M C 0.274 176.593 176.300 0.032 0.000 1.099 311 M CA -0.433 54.862 55.300 -0.008 0.000 1.053 311 M CB 1.141 33.746 32.600 0.009 0.000 1.284 311 M HN 0.255 nan 8.290 nan 0.000 0.410 312 D N 1.217 121.654 120.400 0.061 0.000 2.183 312 D HA 0.023 4.665 4.640 0.003 0.000 0.205 312 D C 1.874 178.224 176.300 0.084 0.000 0.962 312 D CA 1.055 55.108 54.000 0.088 0.000 0.849 312 D CB 0.076 40.970 40.800 0.157 0.000 0.978 312 D HN 0.721 nan 8.370 nan 0.000 0.488 313 G N 0.026 108.879 108.800 0.088 0.000 2.422 313 G HA2 -0.194 3.768 3.960 0.003 0.000 0.218 313 G HA3 -0.194 3.768 3.960 0.003 0.000 0.218 313 G C 1.659 176.616 174.900 0.095 0.000 1.140 313 G CA 1.188 46.333 45.100 0.075 0.000 0.775 313 G HN 0.216 nan 8.290 nan 0.000 0.545 314 T N 1.497 116.106 114.554 0.092 0.000 2.812 314 T HA 0.124 4.475 4.350 0.003 0.000 0.264 314 T C 2.831 177.639 174.700 0.179 0.000 1.042 314 T CA 1.187 63.375 62.100 0.147 0.000 1.140 314 T CB -0.274 68.654 68.868 0.101 0.000 0.870 314 T HN 0.333 nan 8.240 nan 0.000 0.445 315 A N 1.138 124.025 122.820 0.111 0.000 1.978 315 A HA 0.005 4.327 4.320 0.003 0.000 0.220 315 A C 2.251 179.883 177.584 0.080 0.000 1.170 315 A CA 1.206 53.295 52.037 0.086 0.000 0.636 315 A CB -0.793 18.243 19.000 0.060 0.000 0.810 315 A HN 0.478 nan 8.150 nan 0.000 0.448 316 L N -1.916 119.362 121.223 0.090 0.000 2.072 316 L HA -0.118 4.224 4.340 0.003 0.000 0.205 316 L C 2.455 179.386 176.870 0.102 0.000 1.079 316 L CA 1.944 56.830 54.840 0.076 0.000 0.752 316 L CB -0.390 41.707 42.059 0.064 0.000 0.906 316 L HN 0.557 nan 8.230 nan 0.000 0.436 317 Y N 0.377 120.694 120.300 0.029 0.000 2.224 317 Y HA -0.268 4.284 4.550 0.003 0.000 0.289 317 Y C 2.405 178.338 175.900 0.055 0.000 1.146 317 Y CA 1.832 59.953 58.100 0.035 0.000 1.182 317 Y CB -0.265 38.214 38.460 0.032 0.000 0.983 317 Y HN 0.303 nan 8.280 nan 0.000 0.524 318 Q N -0.234 119.527 119.800 -0.065 0.000 2.297 318 Q HA -0.035 4.307 4.340 0.003 0.000 0.204 318 Q C 2.378 178.344 176.000 -0.057 0.000 0.962 318 Q CA 0.779 56.509 55.803 -0.122 0.000 0.879 318 Q CB -0.261 28.491 28.738 0.023 0.000 0.947 318 Q HN 0.681 nan 8.270 nan 0.000 0.462 319 G N 0.572 109.361 108.800 -0.019 0.000 2.464 319 G HA2 -0.242 3.719 3.960 0.003 0.000 0.214 319 G HA3 -0.242 3.719 3.960 0.003 0.000 0.214 319 G C 1.438 176.350 174.900 0.020 0.000 1.218 319 G CA 0.901 46.006 45.100 0.009 0.000 0.794 319 G HN 0.345 nan 8.290 nan 0.000 0.542 320 V N -0.169 119.726 119.914 -0.032 0.000 2.626 320 V HA -0.126 3.995 4.120 0.003 0.000 0.252 320 V C 2.555 178.684 176.094 0.059 0.000 1.067 320 V CA 2.275 64.580 62.300 0.008 0.000 1.081 320 V CB -0.708 31.110 31.823 -0.009 0.000 0.686 320 V HN 0.415 nan 8.190 nan 0.000 0.468 321 C N 0.786 120.011 119.300 -0.124 0.000 2.440 321 C HA -0.096 4.365 4.460 0.003 0.000 0.278 321 C C 2.872 177.917 174.990 0.092 0.000 1.295 321 C CA 1.889 60.828 59.018 -0.131 0.000 1.738 321 C CB -1.396 26.026 27.740 -0.529 0.000 1.987 321 C HN 0.736 nan 8.230 nan 0.000 0.492 322 T N 0.390 114.995 114.554 0.084 0.000 2.708 322 T HA -0.129 4.222 4.350 0.003 0.000 0.266 322 T C 1.427 176.222 174.700 0.159 0.000 1.037 322 T CA 1.803 63.973 62.100 0.117 0.000 1.146 322 T CB -0.461 68.476 68.868 0.115 0.000 0.865 322 T HN 0.478 nan 8.240 nan 0.000 0.435 323 F N 0.645 120.622 119.950 0.044 0.000 2.102 323 F HA 0.040 4.568 4.527 0.003 0.000 0.298 323 F C 1.980 177.824 175.800 0.074 0.000 1.105 323 F CA 0.613 58.642 58.000 0.050 0.000 1.239 323 F CB -0.777 38.255 39.000 0.053 0.000 0.991 323 F HN 0.110 nan 8.300 nan 0.000 0.474 324 F N 0.616 120.662 119.950 0.161 0.000 2.065 324 F HA -0.285 4.243 4.527 0.003 0.000 0.298 324 F C 2.233 178.061 175.800 0.048 0.000 1.112 324 F CA 1.883 59.935 58.000 0.086 0.000 1.212 324 F CB -0.665 38.366 39.000 0.053 0.000 0.975 324 F HN -0.088 nan 8.300 nan 0.000 0.476 325 I N 0.208 120.907 120.570 0.215 0.000 2.226 325 I HA -0.293 3.879 4.170 0.003 0.000 0.245 325 I C 2.604 178.686 176.117 -0.058 0.000 1.100 325 I CA 1.318 62.674 61.300 0.093 0.000 1.374 325 I CB -0.750 37.358 38.000 0.179 0.000 1.057 325 I HN 0.275 nan 8.210 nan 0.000 0.413 326 A N 0.291 123.067 122.820 -0.075 0.000 2.067 326 A HA -0.147 4.175 4.320 0.003 0.000 0.219 326 A C 1.933 179.419 177.584 -0.163 0.000 1.158 326 A CA 1.527 53.477 52.037 -0.144 0.000 0.661 326 A CB -0.483 18.375 19.000 -0.235 0.000 0.801 326 A HN 0.390 nan 8.150 nan 0.000 0.452 327 N N 0.159 118.759 118.700 -0.167 0.000 2.333 327 N HA 0.064 4.805 4.740 0.003 0.000 0.178 327 N C 1.731 177.109 175.510 -0.219 0.000 1.018 327 N CA 1.220 54.171 53.050 -0.166 0.000 0.882 327 N CB -0.381 38.033 38.487 -0.121 0.000 0.984 327 N HN 0.411 nan 8.380 nan 0.000 0.434 328 A N -0.026 122.603 122.820 -0.319 0.000 2.014 328 A HA 0.033 4.355 4.320 0.003 0.000 0.218 328 A C 1.979 179.472 177.584 -0.152 0.000 1.163 328 A CA 0.881 52.739 52.037 -0.300 0.000 0.652 328 A CB -0.222 18.541 19.000 -0.396 0.000 0.808 328 A HN 0.123 nan 8.150 nan 0.000 0.449 329 L N -1.900 119.250 121.223 -0.121 0.000 2.221 329 L HA 0.316 4.657 4.340 0.003 0.000 0.202 329 L C 1.657 178.480 176.870 -0.079 0.000 1.074 329 L CA 1.663 56.456 54.840 -0.080 0.000 0.795 329 L CB -0.187 41.834 42.059 -0.064 0.000 0.960 329 L HN 0.586 nan 8.230 nan 0.000 0.458 330 G N -1.177 107.566 108.800 -0.094 0.000 2.181 330 G HA2 -0.105 3.856 3.960 0.003 0.000 0.152 330 G HA3 -0.105 3.856 3.960 0.003 0.000 0.152 330 G C 0.305 175.154 174.900 -0.085 0.000 1.026 330 G CA -0.022 45.029 45.100 -0.083 0.000 0.699 330 G HN 0.589 nan 8.290 nan 0.000 0.497 331 S N -0.785 114.851 115.700 -0.107 0.000 2.548 331 S HA 0.676 5.148 4.470 0.003 0.000 0.277 331 S C 1.241 175.761 174.600 -0.133 0.000 1.315 331 S CA 0.977 59.108 58.200 -0.114 0.000 1.050 331 S CB 0.185 63.309 63.200 -0.127 0.000 0.918 331 S HN 1.905 nan 8.310 nan 0.000 0.497 332 H N 1.175 120.181 119.070 -0.107 0.000 2.545 332 H HA 0.346 4.904 4.556 0.003 0.000 0.282 332 H C 1.261 176.511 175.328 -0.130 0.000 1.020 332 H CA 1.015 57.005 56.048 -0.097 0.000 1.243 332 H CB -0.662 29.062 29.762 -0.064 0.000 1.377 332 H HN 1.053 nan 8.280 nan 0.000 0.581 333 L N -0.006 121.109 121.223 -0.179 0.000 3.865 333 L HA -0.204 4.138 4.340 0.003 0.000 0.408 333 L C 0.421 177.216 176.870 -0.124 0.000 1.209 333 L CA 0.424 55.121 54.840 -0.237 0.000 0.940 333 L CB -2.803 38.963 42.059 -0.488 0.000 1.971 333 L HN 0.689 nan 8.230 nan 0.000 0.899 334 T N -1.989 112.516 114.554 -0.082 0.000 1.466 334 T HA -0.140 4.212 4.350 0.003 0.000 0.655 334 T C 0.796 175.485 174.700 -0.019 0.000 0.958 334 T CA 0.618 62.691 62.100 -0.045 0.000 3.476 334 T CB -0.842 68.003 68.868 -0.040 0.000 1.980 334 T HN 1.015 nan 8.240 nan 0.000 0.368 335 V N 1.853 121.760 119.914 -0.013 0.000 2.107 335 V HA 0.442 4.564 4.120 0.003 0.000 0.229 335 V C 1.588 177.687 176.094 0.008 0.000 1.545 335 V CA 1.414 63.717 62.300 0.005 0.000 1.546 335 V CB -1.204 30.620 31.823 0.002 0.000 1.542 335 V HN 1.602 nan 8.190 nan 0.000 0.492 336 G N 1.109 109.918 108.800 0.014 0.000 3.768 336 G HA2 0.331 4.293 3.960 0.003 0.000 0.214 336 G HA3 0.331 4.293 3.960 0.003 0.000 0.214 336 G C 0.568 175.475 174.900 0.012 0.000 1.058 336 G CA 0.769 45.876 45.100 0.011 0.000 0.890 336 G HN 1.738 nan 8.290 nan 0.000 0.393 337 Q N 0.502 120.305 119.800 0.006 0.000 2.640 337 Q HA 0.663 5.005 4.340 0.003 0.000 0.389 337 Q C 1.044 177.051 176.000 0.013 0.000 1.012 337 Q CA 0.380 56.185 55.803 0.003 0.000 1.060 337 Q CB -0.075 28.657 28.738 -0.011 0.000 1.332 337 Q HN 0.641 nan 8.270 nan 0.000 0.418 338 Q N -0.425 119.400 119.800 0.043 0.000 2.360 338 Q HA 0.292 4.634 4.340 0.003 0.000 0.202 338 Q C 2.081 178.116 176.000 0.058 0.000 0.915 338 Q CA 0.732 56.585 55.803 0.083 0.000 0.943 338 Q CB 0.428 29.272 28.738 0.178 0.000 1.064 338 Q HN 0.753 nan 8.270 nan 0.000 0.511 339 L N -0.684 120.555 121.223 0.027 0.000 2.552 339 L HA 0.040 4.381 4.340 0.003 0.000 0.227 339 L C 2.147 179.020 176.870 0.005 0.000 1.146 339 L CA 1.904 56.749 54.840 0.008 0.000 0.858 339 L CB -1.274 40.784 42.059 -0.003 0.000 0.969 339 L HN 0.242 nan 8.230 nan 0.000 0.451 340 T N -0.927 113.633 114.554 0.009 0.000 2.978 340 T HA 0.064 4.415 4.350 0.003 0.000 0.262 340 T C 1.966 176.674 174.700 0.012 0.000 1.063 340 T CA 1.297 63.399 62.100 0.004 0.000 1.140 340 T CB -0.179 68.685 68.868 -0.007 0.000 0.886 340 T HN 0.618 nan 8.240 nan 0.000 0.470 341 I N 1.066 121.652 120.570 0.027 0.000 2.439 341 I HA -0.082 4.090 4.170 0.003 0.000 0.251 341 I C 2.364 178.502 176.117 0.035 0.000 1.139 341 I CA 0.652 61.977 61.300 0.042 0.000 1.438 341 I CB -0.417 37.633 38.000 0.084 0.000 1.085 341 I HN 0.060 nan 8.210 nan 0.000 0.427 342 V N 0.638 120.567 119.914 0.024 0.000 2.379 342 V HA -0.219 3.902 4.120 0.003 0.000 0.245 342 V C 2.328 178.421 176.094 -0.001 0.000 1.044 342 V CA 1.449 63.752 62.300 0.004 0.000 1.036 342 V CB -0.363 31.450 31.823 -0.016 0.000 0.664 342 V HN 0.342 nan 8.190 nan 0.000 0.453 343 L N 1.077 122.299 121.223 -0.000 0.000 1.976 343 L HA -0.137 4.205 4.340 0.003 0.000 0.209 343 L C 2.577 179.452 176.870 0.010 0.000 1.071 343 L CA 2.828 57.668 54.840 -0.000 0.000 0.746 343 L CB -0.964 41.094 42.059 -0.001 0.000 0.890 343 L HN 0.536 nan 8.230 nan 0.000 0.432 344 T N -3.119 111.443 114.554 0.015 0.000 3.215 344 T HA 0.210 4.562 4.350 0.003 0.000 0.254 344 T C 1.463 176.179 174.700 0.026 0.000 1.149 344 T CA 0.488 62.601 62.100 0.021 0.000 1.042 344 T CB -0.368 68.515 68.868 0.024 0.000 0.966 344 T HN 0.375 nan 8.240 nan 0.000 0.534 345 A N 1.374 124.210 122.820 0.025 0.000 1.943 345 A HA 0.313 4.635 4.320 0.003 0.000 0.213 345 A C 2.435 180.038 177.584 0.031 0.000 1.181 345 A CA 0.897 52.953 52.037 0.031 0.000 0.653 345 A CB -0.540 18.479 19.000 0.032 0.000 0.833 345 A HN 0.726 nan 8.150 nan 0.000 0.451 346 V N -2.130 117.799 119.914 0.025 0.000 2.788 346 V HA 0.040 4.162 4.120 0.003 0.000 0.251 346 V C 2.009 178.122 176.094 0.032 0.000 1.068 346 V CA 1.317 63.634 62.300 0.029 0.000 1.090 346 V CB -0.709 31.127 31.823 0.021 0.000 0.710 346 V HN 0.387 nan 8.190 nan 0.000 0.467 347 L N 0.626 121.865 121.223 0.027 0.000 2.291 347 L HA 0.104 4.445 4.340 0.003 0.000 0.214 347 L C 2.977 179.865 176.870 0.029 0.000 1.120 347 L CA 1.154 56.010 54.840 0.027 0.000 0.799 347 L CB -0.766 41.306 42.059 0.023 0.000 0.925 347 L HN 0.437 nan 8.230 nan 0.000 0.446 348 A N -0.310 122.528 122.820 0.031 0.000 1.877 348 A HA -0.184 4.138 4.320 0.003 0.000 0.216 348 A C 2.529 180.132 177.584 0.032 0.000 1.186 348 A CA 2.037 54.093 52.037 0.032 0.000 0.620 348 A CB -0.552 18.469 19.000 0.035 0.000 0.822 348 A HN 0.332 nan 8.150 nan 0.000 0.443 349 S N -0.250 115.471 115.700 0.035 0.000 2.368 349 S HA -0.112 4.360 4.470 0.003 0.000 0.225 349 S C 1.815 176.436 174.600 0.036 0.000 1.030 349 S CA 1.510 59.730 58.200 0.033 0.000 0.999 349 S CB -0.470 62.749 63.200 0.033 0.000 0.844 349 S HN 0.533 nan 8.310 nan 0.000 0.459 350 I N 0.956 121.551 120.570 0.041 0.000 2.202 350 I HA -0.094 4.078 4.170 0.003 0.000 0.242 350 I C 2.399 178.536 176.117 0.034 0.000 1.091 350 I CA 1.216 62.542 61.300 0.043 0.000 1.368 350 I CB -0.554 37.473 38.000 0.045 0.000 1.058 350 I HN 0.352 nan 8.210 nan 0.000 0.410 351 G N -1.198 107.619 108.800 0.029 0.000 3.124 351 G HA2 -0.071 3.891 3.960 0.003 0.000 0.212 351 G HA3 -0.071 3.891 3.960 0.003 0.000 0.212 351 G C 1.259 176.173 174.900 0.023 0.000 1.181 351 G CA 0.638 45.753 45.100 0.024 0.000 0.803 351 G HN 0.255 nan 8.290 nan 0.000 0.529 352 T N -0.881 113.688 114.554 0.025 0.000 2.954 352 T HA 0.456 4.808 4.350 0.003 0.000 0.252 352 T C 2.450 177.164 174.700 0.023 0.000 0.983 352 T CA 1.303 63.416 62.100 0.023 0.000 0.941 352 T CB -0.109 68.774 68.868 0.024 0.000 1.141 352 T HN 0.408 nan 8.240 nan 0.000 0.500 353 A N 1.233 124.069 122.820 0.026 0.000 2.262 353 A HA -0.298 4.023 4.320 0.003 0.000 0.280 353 A C 2.231 179.829 177.584 0.024 0.000 3.215 353 A CA 3.020 55.073 52.037 0.028 0.000 1.023 353 A CB -1.764 17.256 19.000 0.033 0.000 0.585 353 A HN 0.652 nan 8.150 nan 0.000 0.462 354 G N -0.874 107.940 108.800 0.023 0.000 2.424 354 G HA2 0.353 4.315 3.960 0.003 0.000 0.214 354 G HA3 0.353 4.315 3.960 0.003 0.000 0.214 354 G C 1.224 176.133 174.900 0.015 0.000 1.202 354 G CA 1.664 46.776 45.100 0.020 0.000 0.793 354 G HN 1.935 nan 8.290 nan 0.000 0.534 355 V N 3.068 122.991 119.914 0.015 0.000 2.899 355 V HA 0.151 4.273 4.120 0.003 0.000 0.293 355 V C -1.141 174.959 176.094 0.010 0.000 1.114 355 V CA -0.296 62.011 62.300 0.011 0.000 1.270 355 V CB -0.703 31.127 31.823 0.012 0.000 0.814 355 V HN 0.287 nan 8.190 nan 0.000 0.457 356 P HA 0.389 nan 4.420 nan 0.000 0.271 356 P C 0.699 178.004 177.300 0.009 0.000 1.218 356 P CA 1.321 64.425 63.100 0.007 0.000 0.780 356 P CB 1.208 32.910 31.700 0.003 0.000 0.901 357 G N 1.597 110.403 108.800 0.011 0.000 2.246 357 G HA2 -0.194 3.768 3.960 0.003 0.000 0.273 357 G HA3 -0.194 3.768 3.960 0.003 0.000 0.273 357 G C 0.934 175.848 174.900 0.023 0.000 1.055 357 G CA 0.217 45.327 45.100 0.017 0.000 0.851 357 G HN 0.733 nan 8.290 nan 0.000 0.500 358 A N -0.344 122.490 122.820 0.022 0.000 2.014 358 A HA 0.386 4.708 4.320 0.003 0.000 0.218 358 A C 2.696 180.303 177.584 0.039 0.000 1.163 358 A CA 1.908 53.961 52.037 0.026 0.000 0.652 358 A CB -0.553 18.461 19.000 0.023 0.000 0.808 358 A HN 1.622 nan 8.150 nan 0.000 0.449 359 G N -0.427 108.400 108.800 0.045 0.000 2.462 359 G HA2 0.008 3.970 3.960 0.003 0.000 0.220 359 G HA3 0.008 3.970 3.960 0.003 0.000 0.220 359 G C 1.500 176.461 174.900 0.102 0.000 1.121 359 G CA 1.233 46.374 45.100 0.069 0.000 0.758 359 G HN 0.764 nan 8.290 nan 0.000 0.559 360 A N 0.496 123.368 122.820 0.086 0.000 2.081 360 A HA 0.322 4.644 4.320 0.003 0.000 0.214 360 A C 2.230 179.842 177.584 0.047 0.000 1.158 360 A CA 0.938 53.035 52.037 0.099 0.000 0.724 360 A CB -0.161 18.897 19.000 0.097 0.000 0.826 360 A HN 0.692 nan 8.150 nan 0.000 0.463 361 I N -4.728 115.862 120.570 0.034 0.000 3.645 361 I HA 0.155 4.327 4.170 0.003 0.000 0.300 361 I C 1.911 178.036 176.117 0.014 0.000 1.260 361 I CA 0.625 61.932 61.300 0.010 0.000 1.365 361 I CB -0.019 37.984 38.000 0.006 0.000 1.077 361 I HN 0.122 nan 8.210 nan 0.000 0.439 362 M N 0.531 120.151 119.600 0.033 0.000 2.160 362 M HA -0.039 4.443 4.480 0.003 0.000 0.264 362 M C 2.131 178.453 176.300 0.037 0.000 1.073 362 M CA 1.484 56.808 55.300 0.039 0.000 1.142 362 M CB -0.276 32.356 32.600 0.054 0.000 1.358 362 M HN 0.348 nan 8.290 nan 0.000 0.422 363 L N 0.825 122.078 121.223 0.051 0.000 2.131 363 L HA -0.067 4.275 4.340 0.003 0.000 0.210 363 L C 2.412 179.262 176.870 -0.034 0.000 1.092 363 L CA 1.940 56.798 54.840 0.031 0.000 0.759 363 L CB -0.921 41.192 42.059 0.090 0.000 0.903 363 L HN 0.212 nan 8.230 nan 0.000 0.435 364 A N -0.053 122.738 122.820 -0.049 0.000 1.930 364 A HA -0.194 4.127 4.320 0.003 0.000 0.217 364 A C 2.228 179.801 177.584 -0.019 0.000 1.175 364 A CA 1.968 53.959 52.037 -0.076 0.000 0.627 364 A CB -0.575 18.377 19.000 -0.079 0.000 0.815 364 A HN 0.659 nan 8.150 nan 0.000 0.443 365 M N -2.223 117.380 119.600 0.005 0.000 2.514 365 M HA 0.210 4.691 4.480 0.003 0.000 0.258 365 M C 1.634 177.974 176.300 0.068 0.000 1.119 365 M CA 1.036 56.363 55.300 0.046 0.000 1.111 365 M CB -0.109 32.507 32.600 0.027 0.000 1.390 365 M HN 0.008 nan 8.290 nan 0.000 0.475 366 V N 1.375 121.313 119.914 0.040 0.000 2.591 366 V HA -0.073 4.048 4.120 0.003 0.000 0.249 366 V C 2.197 178.307 176.094 0.026 0.000 1.053 366 V CA 1.306 63.626 62.300 0.034 0.000 1.068 366 V CB -0.101 31.740 31.823 0.030 0.000 0.689 366 V HN 0.544 nan 8.190 nan 0.000 0.462 367 L N -0.756 120.478 121.223 0.018 0.000 2.179 367 L HA -0.107 4.235 4.340 0.003 0.000 0.208 367 L C 2.421 179.306 176.870 0.026 0.000 1.096 367 L CA 1.596 56.438 54.840 0.004 0.000 0.779 367 L CB -0.484 41.555 42.059 -0.033 0.000 0.922 367 L HN 0.474 nan 8.230 nan 0.000 0.443 368 H N -0.531 118.513 119.070 -0.042 0.000 2.428 368 H HA -0.056 4.502 4.556 0.003 0.000 0.296 368 H C 2.336 177.648 175.328 -0.026 0.000 1.062 368 H CA 1.338 57.365 56.048 -0.035 0.000 1.350 368 H CB 0.214 29.957 29.762 -0.032 0.000 1.403 368 H HN 0.358 nan 8.280 nan 0.000 0.533 369 S N 0.649 116.343 115.700 -0.010 0.000 2.368 369 S HA -0.098 4.374 4.470 0.003 0.000 0.225 369 S C 2.522 177.070 174.600 -0.085 0.000 1.030 369 S CA 1.880 60.050 58.200 -0.050 0.000 0.999 369 S CB -1.229 61.974 63.200 0.005 0.000 0.844 369 S HN 0.425 nan 8.310 nan 0.000 0.459 370 V N -0.382 119.491 119.914 -0.069 0.000 2.358 370 V HA 0.380 4.501 4.120 0.003 0.000 0.246 370 V C 1.947 177.974 176.094 -0.111 0.000 1.047 370 V CA 1.967 64.220 62.300 -0.078 0.000 1.035 370 V CB -1.081 30.703 31.823 -0.066 0.000 0.658 370 V HN 1.399 nan 8.190 nan 0.000 0.452 371 G N -0.964 107.752 108.800 -0.140 0.000 2.148 371 G HA2 0.027 3.989 3.960 0.003 0.000 0.120 371 G HA3 0.027 3.989 3.960 0.003 0.000 0.120 371 G C -0.202 174.638 174.900 -0.100 0.000 1.034 371 G CA -0.016 44.989 45.100 -0.158 0.000 0.710 371 G HN 0.787 nan 8.290 nan 0.000 0.495 372 L N 1.059 122.241 121.223 -0.069 0.000 2.445 372 L HA 0.409 4.751 4.340 0.003 0.000 0.252 372 L C -2.467 174.407 176.870 0.007 0.000 1.105 372 L CA -2.049 52.773 54.840 -0.031 0.000 0.943 372 L CB 1.545 43.585 42.059 -0.032 0.000 1.277 372 L HN -0.126 nan 8.230 nan 0.000 0.465 373 P HA 0.173 nan 4.420 nan 0.000 0.278 373 P C 0.717 178.028 177.300 0.018 0.000 1.238 373 P CA -0.340 62.817 63.100 0.094 0.000 0.794 373 P CB 1.067 32.869 31.700 0.170 0.000 0.955 374 L N 1.283 122.490 121.223 -0.027 0.000 2.700 374 L HA -0.084 4.257 4.340 0.003 0.000 0.240 374 L C 1.786 178.647 176.870 -0.014 0.000 1.162 374 L CA 1.159 55.965 54.840 -0.056 0.000 0.874 374 L CB -1.110 40.864 42.059 -0.141 0.000 1.001 374 L HN 0.508 nan 8.230 nan 0.000 0.447 375 T N -5.159 109.395 114.554 0.000 0.000 3.031 375 T HA 0.029 4.381 4.350 0.003 0.000 0.254 375 T C 0.881 175.590 174.700 0.014 0.000 1.060 375 T CA 0.524 62.628 62.100 0.006 0.000 1.135 375 T CB -0.695 68.176 68.868 0.005 0.000 0.896 375 T HN 0.342 nan 8.240 nan 0.000 0.472 376 D N 3.260 123.671 120.400 0.017 0.000 2.358 376 D HA 0.364 5.005 4.640 0.003 0.000 0.258 376 D C -1.520 174.793 176.300 0.021 0.000 1.223 376 D CA -1.779 52.230 54.000 0.016 0.000 0.886 376 D CB 0.095 40.902 40.800 0.012 0.000 1.120 376 D HN 0.191 nan 8.370 nan 0.000 0.482 377 P HA -0.128 nan 4.420 nan 0.000 0.221 377 P C 0.893 178.214 177.300 0.034 0.000 1.145 377 P CA 0.902 64.020 63.100 0.029 0.000 0.795 377 P CB 0.236 31.949 31.700 0.021 0.000 0.775 378 N N -1.062 117.654 118.700 0.026 0.000 2.135 378 N HA -0.082 4.660 4.740 0.003 0.000 0.186 378 N C 1.480 177.015 175.510 0.041 0.000 1.027 378 N CA 0.655 53.720 53.050 0.025 0.000 0.849 378 N CB -0.331 38.161 38.487 0.007 0.000 1.002 378 N HN -0.112 nan 8.380 nan 0.000 0.425 379 V N 1.163 121.101 119.914 0.039 0.000 2.490 379 V HA -0.183 3.939 4.120 0.003 0.000 0.250 379 V C 2.181 178.339 176.094 0.108 0.000 1.061 379 V CA 1.850 64.184 62.300 0.056 0.000 1.064 379 V CB -0.716 31.123 31.823 0.027 0.000 0.670 379 V HN 0.349 nan 8.190 nan 0.000 0.461 380 A N -0.116 122.762 122.820 0.096 0.000 1.898 380 A HA 0.084 4.405 4.320 0.003 0.000 0.214 380 A C 2.403 180.091 177.584 0.173 0.000 1.183 380 A CA 1.514 53.635 52.037 0.140 0.000 0.622 380 A CB -0.636 18.419 19.000 0.092 0.000 0.824 380 A HN 0.521 nan 8.150 nan 0.000 0.444 381 A N -0.058 122.834 122.820 0.120 0.000 1.972 381 A HA 0.185 4.507 4.320 0.003 0.000 0.219 381 A C 2.402 180.071 177.584 0.141 0.000 1.169 381 A CA 1.923 54.025 52.037 0.107 0.000 0.635 381 A CB -0.779 18.263 19.000 0.071 0.000 0.810 381 A HN 0.961 nan 8.150 nan 0.000 0.446 382 A N -1.831 121.093 122.820 0.174 0.000 1.968 382 A HA -0.011 4.311 4.320 0.003 0.000 0.217 382 A C 2.084 179.888 177.584 0.366 0.000 1.169 382 A CA 1.429 53.624 52.037 0.263 0.000 0.638 382 A CB -0.656 18.463 19.000 0.198 0.000 0.812 382 A HN 0.681 nan 8.150 nan 0.000 0.446 383 Y N 0.650 121.047 120.300 0.161 0.000 2.314 383 Y HA 0.059 4.611 4.550 0.003 0.000 0.293 383 Y C 2.481 178.427 175.900 0.077 0.000 1.129 383 Y CA 0.690 58.858 58.100 0.113 0.000 1.201 383 Y CB -0.388 38.123 38.460 0.084 0.000 0.999 383 Y HN 0.294 nan 8.280 nan 0.000 0.541 384 A N 0.240 123.099 122.820 0.065 0.000 1.972 384 A HA -0.207 4.115 4.320 0.003 0.000 0.219 384 A C 2.405 179.961 177.584 -0.048 0.000 1.169 384 A CA 1.779 53.803 52.037 -0.022 0.000 0.635 384 A CB -0.772 18.262 19.000 0.057 0.000 0.810 384 A HN 0.608 nan 8.150 nan 0.000 0.446 385 M N -0.668 118.940 119.600 0.013 0.000 2.254 385 M HA -0.027 4.455 4.480 0.003 0.000 0.265 385 M C 1.568 177.799 176.300 -0.115 0.000 1.066 385 M CA 1.140 56.448 55.300 0.013 0.000 1.123 385 M CB -0.136 32.535 32.600 0.118 0.000 1.388 385 M HN 0.321 nan 8.290 nan 0.000 0.425 386 I N 0.644 121.077 120.570 -0.228 0.000 2.226 386 I HA -0.269 3.903 4.170 0.003 0.000 0.245 386 I C 2.071 178.038 176.117 -0.250 0.000 1.100 386 I CA 1.403 62.496 61.300 -0.345 0.000 1.374 386 I CB -1.025 36.747 38.000 -0.380 0.000 1.057 386 I HN 0.382 nan 8.210 nan 0.000 0.413 387 L N 0.304 121.352 121.223 -0.291 0.000 2.549 387 L HA -0.068 4.274 4.340 0.003 0.000 0.229 387 L C 2.395 179.200 176.870 -0.108 0.000 1.158 387 L CA 0.723 55.427 54.840 -0.227 0.000 0.842 387 L CB -0.858 41.036 42.059 -0.276 0.000 0.952 387 L HN 0.265 nan 8.230 nan 0.000 0.452 388 G N 1.141 109.911 108.800 -0.050 0.000 2.484 388 G HA2 -0.110 3.851 3.960 0.003 0.000 0.218 388 G HA3 -0.110 3.851 3.960 0.003 0.000 0.218 388 G C 1.206 176.165 174.900 0.097 0.000 1.130 388 G CA 0.399 45.551 45.100 0.088 0.000 0.784 388 G HN 0.579 nan 8.290 nan 0.000 0.543 389 I N -2.951 117.597 120.570 -0.036 0.000 3.491 389 I HA 0.485 4.657 4.170 0.003 0.000 0.332 389 I C 0.678 176.733 176.117 -0.103 0.000 1.565 389 I CA -0.253 61.003 61.300 -0.074 0.000 1.050 389 I CB 1.093 39.017 38.000 -0.127 0.000 1.348 389 I HN -0.135 nan 8.210 nan 0.000 0.506 390 D N 1.909 122.245 120.400 -0.107 0.000 2.249 390 D HA 0.065 4.706 4.640 0.003 0.000 0.205 390 D C 2.310 178.522 176.300 -0.147 0.000 0.962 390 D CA 1.260 55.177 54.000 -0.139 0.000 0.860 390 D CB 0.489 41.203 40.800 -0.142 0.000 0.955 390 D HN 0.473 nan 8.370 nan 0.000 0.505 391 A N 0.397 123.150 122.820 -0.111 0.000 2.014 391 A HA -0.064 4.258 4.320 0.003 0.000 0.218 391 A C 2.026 179.541 177.584 -0.115 0.000 1.163 391 A CA 0.614 52.589 52.037 -0.102 0.000 0.652 391 A CB -0.462 18.498 19.000 -0.066 0.000 0.808 391 A HN 0.275 nan 8.150 nan 0.000 0.449 392 I N -0.157 120.348 120.570 -0.107 0.000 2.202 392 I HA -0.199 3.973 4.170 0.003 0.000 0.242 392 I C 2.313 178.400 176.117 -0.051 0.000 1.091 392 I CA 1.257 62.498 61.300 -0.098 0.000 1.368 392 I CB -1.238 36.688 38.000 -0.124 0.000 1.058 392 I HN 0.294 nan 8.210 nan 0.000 0.410 393 L N 0.206 121.389 121.223 -0.067 0.000 2.217 393 L HA -0.168 4.174 4.340 0.003 0.000 0.211 393 L C 2.250 179.053 176.870 -0.112 0.000 1.107 393 L CA 0.826 55.663 54.840 -0.004 0.000 0.783 393 L CB -0.536 41.471 42.059 -0.087 0.000 0.919 393 L HN 0.208 nan 8.230 nan 0.000 0.442 394 D N 0.487 120.772 120.400 -0.192 0.000 2.097 394 D HA -0.192 4.450 4.640 0.003 0.000 0.195 394 D C 2.328 178.495 176.300 -0.222 0.000 0.989 394 D CA 1.424 55.294 54.000 -0.217 0.000 0.827 394 D CB 0.053 40.744 40.800 -0.183 0.000 0.966 394 D HN 0.141 nan 8.370 nan 0.000 0.456 395 M N -0.161 119.253 119.600 -0.309 0.000 2.082 395 M HA -0.126 4.356 4.480 0.003 0.000 0.258 395 M C 2.394 178.334 176.300 -0.600 0.000 1.071 395 M CA 2.024 56.927 55.300 -0.661 0.000 1.103 395 M CB -0.867 31.050 32.600 -1.138 0.000 1.307 395 M HN 0.117 nan 8.290 nan 0.000 0.409 396 G N 0.822 109.428 108.800 -0.324 0.000 2.422 396 G HA2 -0.225 3.736 3.960 0.003 0.000 0.218 396 G HA3 -0.225 3.736 3.960 0.003 0.000 0.218 396 G C 1.541 176.365 174.900 -0.127 0.000 1.146 396 G CA 1.044 46.015 45.100 -0.215 0.000 0.769 396 G HN 0.586 nan 8.290 nan 0.000 0.547 397 R N -0.413 120.023 120.500 -0.106 0.000 2.119 397 R HA 0.072 4.414 4.340 0.003 0.000 0.222 397 R C 2.097 178.380 176.300 -0.028 0.000 1.088 397 R CA 1.628 57.696 56.100 -0.053 0.000 0.984 397 R CB -0.941 29.321 30.300 -0.064 0.000 0.884 397 R HN 0.149 nan 8.270 nan 0.000 0.447 398 T N 1.525 116.045 114.554 -0.056 0.000 2.821 398 T HA -0.066 4.286 4.350 0.003 0.000 0.267 398 T C 1.766 176.484 174.700 0.030 0.000 1.046 398 T CA 1.283 63.368 62.100 -0.024 0.000 1.139 398 T CB -0.129 68.709 68.868 -0.051 0.000 0.871 398 T HN 0.182 nan 8.240 nan 0.000 0.454 399 M N 1.123 120.763 119.600 0.066 0.000 2.213 399 M HA -0.078 4.404 4.480 0.003 0.000 0.263 399 M C 1.808 178.179 176.300 0.119 0.000 1.062 399 M CA 1.379 56.766 55.300 0.146 0.000 1.105 399 M CB -0.205 32.583 32.600 0.313 0.000 1.385 399 M HN 0.124 nan 8.290 nan 0.000 0.417 400 V N 0.465 120.443 119.914 0.108 0.000 2.951 400 V HA -0.135 3.987 4.120 0.003 0.000 0.255 400 V C 1.652 177.838 176.094 0.153 0.000 1.088 400 V CA 1.016 63.417 62.300 0.168 0.000 1.109 400 V CB -0.852 31.071 31.823 0.166 0.000 0.724 400 V HN 0.456 nan 8.190 nan 0.000 0.471 401 N N 0.913 119.665 118.700 0.086 0.000 2.331 401 N HA -0.101 4.640 4.740 0.003 0.000 0.180 401 N C 1.775 177.304 175.510 0.032 0.000 1.019 401 N CA 1.625 54.707 53.050 0.053 0.000 0.881 401 N CB 0.003 38.502 38.487 0.020 0.000 0.972 401 N HN 0.575 nan 8.380 nan 0.000 0.435 402 V N -2.872 117.066 119.914 0.040 0.000 3.174 402 V HA 0.112 4.234 4.120 0.003 0.000 0.254 402 V C 1.841 177.948 176.094 0.021 0.000 1.120 402 V CA 0.942 63.260 62.300 0.029 0.000 1.114 402 V CB -0.665 31.179 31.823 0.036 0.000 0.756 402 V HN 0.013 nan 8.190 nan 0.000 0.467 403 T N 1.795 116.352 114.554 0.006 0.000 2.737 403 T HA -0.008 4.344 4.350 0.003 0.000 0.265 403 T C 1.965 176.507 174.700 -0.263 0.000 1.038 403 T CA 1.902 63.944 62.100 -0.096 0.000 1.144 403 T CB -0.888 67.895 68.868 -0.141 0.000 0.866 403 T HN 0.665 nan 8.240 nan 0.000 0.434 404 G N 1.687 110.365 108.800 -0.203 0.000 2.450 404 G HA2 -0.235 3.727 3.960 0.003 0.000 0.220 404 G HA3 -0.235 3.727 3.960 0.003 0.000 0.220 404 G C 1.225 176.242 174.900 0.196 0.000 1.130 404 G CA 1.017 46.142 45.100 0.041 0.000 0.760 404 G HN 0.387 nan 8.290 nan 0.000 0.557 405 D N 0.571 121.032 120.400 0.102 0.000 2.084 405 D HA -0.071 4.570 4.640 0.003 0.000 0.194 405 D C 2.662 179.035 176.300 0.122 0.000 0.990 405 D CA 0.557 54.637 54.000 0.133 0.000 0.826 405 D CB -0.379 40.457 40.800 0.060 0.000 0.971 405 D HN 0.309 nan 8.370 nan 0.000 0.453 406 L N 0.468 121.753 121.223 0.103 0.000 2.056 406 L HA -0.121 4.221 4.340 0.003 0.000 0.207 406 L C 2.442 179.442 176.870 0.217 0.000 1.078 406 L CA 1.220 56.157 54.840 0.162 0.000 0.749 406 L CB -0.831 41.322 42.059 0.158 0.000 0.901 406 L HN 0.045 nan 8.230 nan 0.000 0.433 407 T N -0.123 114.499 114.554 0.113 0.000 2.708 407 T HA -0.134 4.217 4.350 0.003 0.000 0.266 407 T C 1.862 176.385 174.700 -0.296 0.000 1.037 407 T CA 1.434 63.434 62.100 -0.166 0.000 1.146 407 T CB -0.592 68.130 68.868 -0.244 0.000 0.865 407 T HN 0.553 nan 8.240 nan 0.000 0.435 408 G N 1.041 109.572 108.800 -0.447 0.000 2.408 408 G HA2 -0.185 3.777 3.960 0.003 0.000 0.217 408 G HA3 -0.185 3.777 3.960 0.003 0.000 0.217 408 G C 1.711 176.310 174.900 -0.500 0.000 1.150 408 G CA 1.316 45.755 45.100 -1.101 0.000 0.776 408 G HN 0.455 nan 8.290 nan 0.000 0.542 409 T N 1.637 116.080 114.554 -0.184 0.000 2.746 409 T HA 0.023 4.375 4.350 0.003 0.000 0.267 409 T C 2.787 177.458 174.700 -0.048 0.000 1.039 409 T CA 1.423 63.491 62.100 -0.052 0.000 1.142 409 T CB -0.286 68.621 68.868 0.065 0.000 0.866 409 T HN 0.359 nan 8.240 nan 0.000 0.444 410 A N 0.694 123.489 122.820 -0.041 0.000 1.930 410 A HA 0.037 4.359 4.320 0.003 0.000 0.217 410 A C 2.173 179.693 177.584 -0.106 0.000 1.175 410 A CA 1.004 53.027 52.037 -0.023 0.000 0.627 410 A CB -0.582 18.447 19.000 0.048 0.000 0.815 410 A HN 0.394 nan 8.150 nan 0.000 0.443 411 I N -0.672 119.754 120.570 -0.239 0.000 2.286 411 I HA -0.140 4.032 4.170 0.003 0.000 0.245 411 I C 2.368 178.355 176.117 -0.217 0.000 1.104 411 I CA 0.937 62.035 61.300 -0.337 0.000 1.397 411 I CB -0.187 37.438 38.000 -0.625 0.000 1.072 411 I HN 0.119 nan 8.210 nan 0.000 0.417 412 V N 0.624 120.418 119.914 -0.200 0.000 2.407 412 V HA -0.275 3.847 4.120 0.003 0.000 0.248 412 V C 2.628 178.707 176.094 -0.024 0.000 1.055 412 V CA 1.697 63.938 62.300 -0.097 0.000 1.049 412 V CB -1.219 30.547 31.823 -0.095 0.000 0.662 412 V HN 0.488 nan 8.190 nan 0.000 0.455 413 A N -0.441 122.369 122.820 -0.017 0.000 1.933 413 A HA -0.190 4.132 4.320 0.003 0.000 0.218 413 A C 2.314 179.914 177.584 0.027 0.000 1.175 413 A CA 1.568 53.615 52.037 0.018 0.000 0.628 413 A CB -0.325 18.691 19.000 0.027 0.000 0.814 413 A HN 0.409 nan 8.150 nan 0.000 0.444 414 K N -0.494 119.926 120.400 0.034 0.000 2.076 414 K HA -0.044 4.277 4.320 0.003 0.000 0.204 414 K C 2.144 178.799 176.600 0.091 0.000 1.051 414 K CA 1.753 58.083 56.287 0.072 0.000 0.949 414 K CB -0.996 31.577 32.500 0.121 0.000 0.726 414 K HN 0.584 nan 8.250 nan 0.000 0.443 415 T N 0.993 115.615 114.554 0.113 0.000 2.668 415 T HA -0.121 4.230 4.350 0.003 0.000 0.262 415 T C 1.264 176.003 174.700 0.064 0.000 1.045 415 T CA 0.994 63.166 62.100 0.119 0.000 1.152 415 T CB -0.160 68.795 68.868 0.144 0.000 0.864 415 T HN 0.175 nan 8.240 nan 0.000 0.419 416 E N 0.000 120.226 120.200 0.044 0.000 2.725 416 E HA 0.000 4.352 4.350 0.003 0.000 0.291 416 E CA 0.000 56.417 56.400 0.029 0.000 0.976 416 E CB 0.000 29.712 29.700 0.021 0.000 0.812 416 E HN 0.000 nan 8.360 nan 0.000 0.440