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 2p91_1_D DATA FIRST_RESID 17 DATA SEQUENCE GLLEGKRALI TGVANERSIA YGIAKSFHRE GAQLAFTYAT PKLEKRVREI DATA SEQUENCE AKGFGSDLVV KCDVSLDEDI KNLKKFLEEN WGSLDIIVHS IAYAPKEEFK DATA SEQUENCE GGVIDTSREG FKIAMDISVY SLIALTRELL PLMEGRNGAI VTLSYYGAEK DATA SEQUENCE VVPHYNVMGI AKAALESTVR YLAYDIAKHG HRINAISAGP VKXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXFGKPIT IEDVGDTAVF LCSDWARAIT GEVVHVDNGY DATA SEQUENCE HIMGV 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 17 G HA2 0.000 nan 3.960 nan 0.000 0.244 17 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 17 G C 0.000 174.795 174.900 -0.175 0.000 0.946 17 G CA 0.000 45.027 45.100 -0.122 0.000 0.502 18 L N -0.416 120.650 121.223 -0.260 0.000 2.127 18 L HA 0.117 4.457 4.340 -0.000 0.000 0.211 18 L C 2.127 178.800 176.870 -0.328 0.000 1.089 18 L CA 1.533 56.147 54.840 -0.376 0.000 0.757 18 L CB -0.163 41.568 42.059 -0.547 0.000 0.899 18 L HN 0.484 nan 8.230 nan 0.000 0.434 19 L N -0.939 120.100 121.223 -0.308 0.000 3.017 19 L HA 0.181 4.521 4.340 -0.000 0.000 0.255 19 L C 0.145 176.872 176.870 -0.238 0.000 1.247 19 L CA -0.472 54.176 54.840 -0.320 0.000 1.038 19 L CB -0.101 41.682 42.059 -0.459 0.000 1.380 19 L HN 0.031 nan 8.230 nan 0.000 0.548 20 E N 1.380 121.470 120.200 -0.185 0.000 2.415 20 E HA 0.125 4.475 4.350 -0.000 0.000 0.263 20 E C 1.179 177.696 176.600 -0.138 0.000 0.995 20 E CA 0.873 57.188 56.400 -0.142 0.000 0.915 20 E CB 1.068 30.704 29.700 -0.107 0.000 0.951 20 E HN 0.433 nan 8.360 nan 0.000 0.449 21 G N 3.151 111.869 108.800 -0.137 0.000 2.179 21 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 21 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 21 G C 0.166 174.950 174.900 -0.194 0.000 0.977 21 G CA 0.196 45.208 45.100 -0.146 0.000 0.641 21 G HN 0.334 nan 8.290 nan 0.000 0.533 22 K N 0.520 120.790 120.400 -0.216 0.000 2.172 22 K HA 0.553 4.873 4.320 -0.000 0.000 0.276 22 K C 0.483 176.889 176.600 -0.324 0.000 1.013 22 K CA -0.506 55.629 56.287 -0.254 0.000 0.913 22 K CB 1.213 33.560 32.500 -0.254 0.000 1.055 22 K HN 0.371 nan 8.250 nan 0.000 0.461 23 R N 0.859 121.101 120.500 -0.430 0.000 2.343 23 R HA 0.518 4.858 4.340 -0.000 0.000 0.320 23 R C -0.657 175.445 176.300 -0.329 0.000 0.956 23 R CA -0.578 55.099 56.100 -0.704 0.000 0.836 23 R CB 1.719 31.134 30.300 -1.475 0.000 1.151 23 R HN 0.627 nan 8.270 nan 0.000 0.450 24 A N 3.538 126.333 122.820 -0.042 0.000 2.318 24 A HA 0.424 4.744 4.320 -0.000 0.000 0.317 24 A C -1.107 176.634 177.584 0.262 0.000 1.159 24 A CA -0.722 51.415 52.037 0.167 0.000 0.799 24 A CB 1.019 20.207 19.000 0.315 0.000 1.194 24 A HN 0.620 nan 8.150 nan 0.000 0.479 25 L N 4.265 125.607 121.223 0.199 0.000 2.290 25 L HA 0.509 4.849 4.340 -0.000 0.000 0.284 25 L C -0.836 175.988 176.870 -0.077 0.000 1.078 25 L CA -0.087 54.793 54.840 0.066 0.000 0.815 25 L CB 0.449 42.561 42.059 0.089 0.000 1.162 25 L HN 0.519 nan 8.230 nan 0.000 0.435 26 I N 4.814 125.235 120.570 -0.247 0.000 2.330 26 I HA 0.315 4.485 4.170 -0.000 0.000 0.289 26 I C 0.401 176.466 176.117 -0.086 0.000 1.001 26 I CA -0.285 60.863 61.300 -0.252 0.000 1.193 26 I CB 1.025 38.748 38.000 -0.462 0.000 1.345 26 I HN 0.708 nan 8.210 nan 0.000 0.461 27 T N 0.681 115.210 114.554 -0.042 0.000 2.943 27 T HA 0.670 5.020 4.350 -0.000 0.000 0.284 27 T C 0.879 175.579 174.700 0.001 0.000 1.015 27 T CA 0.050 62.147 62.100 -0.005 0.000 1.042 27 T CB 1.919 70.773 68.868 -0.024 0.000 1.055 27 T HN 1.059 nan 8.240 nan 0.000 0.500 28 G N 0.410 109.222 108.800 0.021 0.000 2.141 28 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.231 28 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.231 28 G C -0.029 174.908 174.900 0.062 0.000 0.984 28 G CA -0.166 44.941 45.100 0.012 0.000 0.660 28 G HN 1.077 nan 8.290 nan 0.000 0.525 29 V N 0.691 120.682 119.914 0.128 0.000 2.455 29 V HA 0.577 4.697 4.120 -0.000 0.000 0.273 29 V C 1.256 177.399 176.094 0.082 0.000 1.045 29 V CA 0.969 63.358 62.300 0.148 0.000 0.976 29 V CB 1.110 33.078 31.823 0.243 0.000 0.993 29 V HN 0.838 nan 8.190 nan 0.000 0.475 30 A N 4.769 127.614 122.820 0.043 0.000 2.026 30 A HA 0.390 4.710 4.320 -0.000 0.000 0.201 30 A C 0.668 178.229 177.584 -0.038 0.000 1.318 30 A CA 0.741 52.780 52.037 0.004 0.000 0.857 30 A CB 0.133 19.133 19.000 -0.000 0.000 0.939 30 A HN 0.922 nan 8.150 nan 0.000 0.476 31 N N -2.286 116.383 118.700 -0.053 0.000 3.378 31 N HA 0.282 5.022 4.740 -0.000 0.000 0.294 31 N C -0.611 174.762 175.510 -0.228 0.000 1.544 31 N CA -0.311 52.658 53.050 -0.134 0.000 0.872 31 N CB 0.018 38.431 38.487 -0.122 0.000 1.670 31 N HN -0.179 nan 8.380 nan 0.000 0.551 32 E N -0.733 119.217 120.200 -0.416 0.000 2.516 32 E HA 0.128 4.478 4.350 -0.000 0.000 0.199 32 E C 0.680 177.075 176.600 -0.342 0.000 1.069 32 E CA 0.607 56.508 56.400 -0.831 0.000 0.876 32 E CB -0.083 29.135 29.700 -0.802 0.000 0.843 32 E HN 0.385 nan 8.360 nan 0.000 0.530 33 R N -0.165 120.251 120.500 -0.139 0.000 2.334 33 R HA 0.244 4.584 4.340 -0.000 0.000 0.212 33 R C 0.142 176.460 176.300 0.031 0.000 0.897 33 R CA -0.083 56.003 56.100 -0.024 0.000 1.056 33 R CB 0.585 30.861 30.300 -0.039 0.000 1.046 33 R HN -0.078 nan 8.270 nan 0.000 0.513 34 S N 1.136 116.864 115.700 0.047 0.000 2.549 34 S HA 0.028 4.498 4.470 -0.000 0.000 0.286 34 S C 1.590 176.259 174.600 0.115 0.000 1.314 34 S CA -0.170 58.076 58.200 0.076 0.000 1.062 34 S CB 0.610 63.865 63.200 0.092 0.000 0.865 34 S HN 0.164 nan 8.310 nan 0.000 0.498 35 I N 2.313 122.922 120.570 0.065 0.000 2.194 35 I HA -0.286 3.884 4.170 -0.000 0.000 0.246 35 I C 2.502 178.647 176.117 0.046 0.000 1.093 35 I CA 1.521 62.851 61.300 0.052 0.000 1.355 35 I CB -0.519 37.495 38.000 0.023 0.000 1.046 35 I HN 0.790 nan 8.210 nan 0.000 0.413 36 A N -0.126 122.722 122.820 0.047 0.000 2.019 36 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 36 A C 2.237 179.871 177.584 0.084 0.000 1.164 36 A CA 1.382 53.433 52.037 0.022 0.000 0.644 36 A CB -0.898 18.127 19.000 0.041 0.000 0.805 36 A HN 0.556 nan 8.150 nan 0.000 0.449 37 Y N 0.713 121.050 120.300 0.061 0.000 2.200 37 Y HA -0.031 4.519 4.550 -0.000 0.000 0.290 37 Y C 2.403 178.365 175.900 0.103 0.000 1.137 37 Y CA 1.394 59.571 58.100 0.129 0.000 1.163 37 Y CB -0.741 37.791 38.460 0.119 0.000 0.988 37 Y HN 0.226 nan 8.280 nan 0.000 0.518 38 G N 0.425 109.249 108.800 0.040 0.000 2.422 38 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 38 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 38 G C 1.716 176.544 174.900 -0.120 0.000 1.146 38 G CA 1.309 46.385 45.100 -0.039 0.000 0.769 38 G HN 0.496 nan 8.290 nan 0.000 0.547 39 I N 1.372 121.850 120.570 -0.154 0.000 2.179 39 I HA -0.163 4.007 4.170 -0.000 0.000 0.242 39 I C 3.310 179.162 176.117 -0.442 0.000 1.088 39 I CA 1.005 62.124 61.300 -0.302 0.000 1.357 39 I CB -0.283 37.467 38.000 -0.416 0.000 1.051 39 I HN 0.232 nan 8.210 nan 0.000 0.409 40 A N 0.591 123.160 122.820 -0.420 0.000 1.908 40 A HA -0.274 4.045 4.320 -0.000 0.000 0.218 40 A C 2.376 179.556 177.584 -0.674 0.000 1.181 40 A CA 1.940 53.676 52.037 -0.503 0.000 0.627 40 A CB -0.557 18.273 19.000 -0.283 0.000 0.818 40 A HN 0.330 nan 8.150 nan 0.000 0.445 41 K N -0.341 119.718 120.400 -0.568 0.000 2.002 41 K HA -0.121 4.199 4.320 -0.000 0.000 0.209 41 K C 2.363 178.922 176.600 -0.069 0.000 1.048 41 K CA 1.666 57.776 56.287 -0.295 0.000 0.930 41 K CB -0.194 32.192 32.500 -0.189 0.000 0.714 41 K HN 0.462 nan 8.250 nan 0.000 0.438 42 S N 0.340 116.025 115.700 -0.024 0.000 2.382 42 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 42 S C 1.673 176.358 174.600 0.142 0.000 1.027 42 S CA 1.075 59.318 58.200 0.073 0.000 0.991 42 S CB -0.321 62.943 63.200 0.106 0.000 0.823 42 S HN 0.196 nan 8.310 nan 0.000 0.469 43 F N 1.338 121.199 119.950 -0.149 0.000 2.102 43 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 43 F C 2.389 178.113 175.800 -0.127 0.000 1.105 43 F CA 1.245 59.157 58.000 -0.147 0.000 1.239 43 F CB -1.239 37.659 39.000 -0.170 0.000 0.991 43 F HN 0.297 nan 8.300 nan 0.000 0.474 44 H N 0.269 119.307 119.070 -0.054 0.000 2.290 44 H HA -0.162 4.394 4.556 -0.000 0.000 0.298 44 H C 2.551 177.876 175.328 -0.004 0.000 1.087 44 H CA 2.340 58.352 56.048 -0.060 0.000 1.291 44 H CB -0.266 29.418 29.762 -0.130 0.000 1.369 44 H HN 0.090 nan 8.280 nan 0.000 0.492 45 R N 0.238 120.707 120.500 -0.052 0.000 2.133 45 R HA -0.138 4.202 4.340 -0.000 0.000 0.247 45 R C 0.952 177.169 176.300 -0.138 0.000 1.151 45 R CA 1.886 57.933 56.100 -0.088 0.000 0.971 45 R CB 0.010 30.312 30.300 0.003 0.000 0.866 45 R HN 0.406 nan 8.270 nan 0.000 0.447 46 E N -0.995 119.123 120.200 -0.137 0.000 2.437 46 E HA 0.089 4.439 4.350 -0.000 0.000 0.189 46 E C 0.713 177.194 176.600 -0.197 0.000 1.054 46 E CA 0.659 56.954 56.400 -0.175 0.000 0.874 46 E CB 0.942 30.513 29.700 -0.215 0.000 1.011 46 E HN 0.643 nan 8.360 nan 0.000 0.474 47 G N 0.965 109.649 108.800 -0.194 0.000 2.157 47 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.239 47 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.239 47 G C 0.509 175.322 174.900 -0.144 0.000 0.982 47 G CA 0.062 45.060 45.100 -0.169 0.000 0.650 47 G HN 0.483 nan 8.290 nan 0.000 0.527 48 A N -0.011 122.722 122.820 -0.145 0.000 2.388 48 A HA 0.663 4.983 4.320 -0.000 0.000 0.257 48 A C 0.553 178.137 177.584 -0.000 0.000 1.095 48 A CA 0.186 52.152 52.037 -0.118 0.000 0.791 48 A CB 0.343 19.255 19.000 -0.146 0.000 1.029 48 A HN 0.525 nan 8.150 nan 0.000 0.489 49 Q N 0.538 120.325 119.800 -0.022 0.000 2.259 49 Q HA 0.588 4.928 4.340 -0.000 0.000 0.249 49 Q C -1.034 175.111 176.000 0.241 0.000 0.914 49 Q CA -0.024 55.848 55.803 0.114 0.000 0.904 49 Q CB 1.332 30.089 28.738 0.031 0.000 1.213 49 Q HN 0.657 nan 8.270 nan 0.000 0.428 50 L N 0.960 122.414 121.223 0.384 0.000 2.354 50 L HA 0.883 5.223 4.340 -0.000 0.000 0.269 50 L C -0.781 176.234 176.870 0.241 0.000 1.005 50 L CA -0.984 54.002 54.840 0.243 0.000 0.819 50 L CB 1.963 44.037 42.059 0.024 0.000 1.311 50 L HN 0.647 nan 8.230 nan 0.000 0.423 51 A N 2.053 124.838 122.820 -0.059 0.000 2.449 51 A HA 0.888 5.208 4.320 -0.000 0.000 0.302 51 A C -1.543 175.846 177.584 -0.323 0.000 1.048 51 A CA -0.342 51.615 52.037 -0.134 0.000 0.708 51 A CB 1.248 20.020 19.000 -0.379 0.000 1.274 51 A HN 0.493 nan 8.150 nan 0.000 0.410 52 F N 0.619 120.598 119.950 0.048 0.000 2.551 52 F HA 0.596 5.123 4.527 -0.000 0.000 0.316 52 F C 0.951 176.736 175.800 -0.025 0.000 1.089 52 F CA -0.333 57.690 58.000 0.039 0.000 0.915 52 F CB 2.707 41.757 39.000 0.084 0.000 1.186 52 F HN 0.633 nan 8.300 nan 0.000 0.456 53 T N -0.688 113.943 114.554 0.129 0.000 2.922 53 T HA 0.600 4.950 4.350 -0.000 0.000 0.285 53 T C -1.035 173.734 174.700 0.115 0.000 1.005 53 T CA -0.590 61.508 62.100 -0.003 0.000 1.061 53 T CB 1.178 70.003 68.868 -0.072 0.000 1.007 53 T HN 0.521 nan 8.240 nan 0.000 0.502 54 Y N -0.632 119.649 120.300 -0.032 0.000 2.409 54 Y HA 0.777 5.327 4.550 -0.000 0.000 0.343 54 Y C 0.892 176.763 175.900 -0.049 0.000 0.973 54 Y CA -1.463 56.617 58.100 -0.033 0.000 1.064 54 Y CB 1.204 39.636 38.460 -0.047 0.000 1.207 54 Y HN 0.693 nan 8.280 nan 0.000 0.452 55 A N 2.413 125.265 122.820 0.052 0.000 1.930 55 A HA 0.146 4.466 4.320 -0.000 0.000 0.217 55 A C 0.939 178.510 177.584 -0.022 0.000 1.175 55 A CA 1.717 53.735 52.037 -0.032 0.000 0.627 55 A CB -0.771 18.210 19.000 -0.031 0.000 0.815 55 A HN 0.938 nan 8.150 nan 0.000 0.443 56 T N -6.139 108.472 114.554 0.096 0.000 2.900 56 T HA 0.535 4.885 4.350 -0.000 0.000 0.303 56 T C -2.578 172.258 174.700 0.227 0.000 1.142 56 T CA -1.518 60.637 62.100 0.092 0.000 1.007 56 T CB 1.876 70.758 68.868 0.023 0.000 1.156 56 T HN -0.121 nan 8.240 nan 0.000 0.490 57 P HA -0.148 nan 4.420 nan 0.000 0.216 57 P C 1.301 178.601 177.300 0.001 0.000 1.150 57 P CA 1.288 64.474 63.100 0.145 0.000 0.843 57 P CB -0.019 31.724 31.700 0.073 0.000 0.787 58 K N -0.283 120.115 120.400 -0.003 0.000 2.442 58 K HA -0.038 4.282 4.320 -0.000 0.000 0.198 58 K C 1.465 178.023 176.600 -0.070 0.000 1.042 58 K CA 1.035 57.296 56.287 -0.042 0.000 0.958 58 K CB -0.695 31.788 32.500 -0.029 0.000 0.766 58 K HN 0.199 nan 8.250 nan 0.000 0.474 59 L N 0.872 122.060 121.223 -0.058 0.000 2.585 59 L HA 0.115 4.455 4.340 -0.000 0.000 0.226 59 L C 2.352 179.070 176.870 -0.255 0.000 1.113 59 L CA 0.054 54.842 54.840 -0.086 0.000 0.876 59 L CB -0.041 42.028 42.059 0.017 0.000 1.072 59 L HN 0.316 nan 8.230 nan 0.000 0.468 60 E N 1.378 121.276 120.200 -0.503 0.000 2.058 60 E HA -0.308 4.042 4.350 -0.000 0.000 0.194 60 E C 2.100 178.395 176.600 -0.507 0.000 0.997 60 E CA 1.598 57.405 56.400 -0.987 0.000 0.801 60 E CB 0.187 29.261 29.700 -1.044 0.000 0.746 60 E HN 0.329 nan 8.360 nan 0.000 0.450 61 K N 0.274 120.484 120.400 -0.317 0.000 2.002 61 K HA -0.234 4.085 4.320 -0.000 0.000 0.209 61 K C 2.397 178.880 176.600 -0.196 0.000 1.048 61 K CA 1.655 57.812 56.287 -0.217 0.000 0.930 61 K CB -0.131 32.274 32.500 -0.158 0.000 0.714 61 K HN -0.095 nan 8.250 nan 0.000 0.438 62 R N 0.473 120.865 120.500 -0.181 0.000 2.081 62 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 62 R C 1.974 178.164 176.300 -0.182 0.000 1.131 62 R CA 1.604 57.606 56.100 -0.164 0.000 0.960 62 R CB -0.633 29.584 30.300 -0.138 0.000 0.856 62 R HN 0.128 nan 8.270 nan 0.000 0.436 63 V N 0.814 120.615 119.914 -0.189 0.000 2.343 63 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 63 V C 2.382 178.327 176.094 -0.248 0.000 1.051 63 V CA 2.091 64.275 62.300 -0.194 0.000 1.036 63 V CB -0.493 31.282 31.823 -0.080 0.000 0.654 63 V HN 0.339 nan 8.190 nan 0.000 0.451 64 R N -0.158 120.214 120.500 -0.214 0.000 2.081 64 R HA -0.177 4.163 4.340 -0.000 0.000 0.235 64 R C 2.335 178.537 176.300 -0.164 0.000 1.131 64 R CA 1.718 57.719 56.100 -0.165 0.000 0.960 64 R CB -0.303 29.909 30.300 -0.146 0.000 0.856 64 R HN 0.626 nan 8.270 nan 0.000 0.436 65 E N 0.530 120.627 120.200 -0.173 0.000 2.051 65 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 65 E C 2.052 178.526 176.600 -0.210 0.000 0.991 65 E CA 1.204 57.505 56.400 -0.166 0.000 0.799 65 E CB -0.146 29.460 29.700 -0.156 0.000 0.748 65 E HN 0.292 nan 8.360 nan 0.000 0.449 66 I N 1.119 121.542 120.570 -0.246 0.000 2.163 66 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 66 I C 2.548 178.456 176.117 -0.348 0.000 1.085 66 I CA 1.132 62.261 61.300 -0.285 0.000 1.347 66 I CB -0.302 37.588 38.000 -0.184 0.000 1.044 66 I HN 0.092 nan 8.210 nan 0.000 0.408 67 A N 0.457 123.016 122.820 -0.434 0.000 1.908 67 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 67 A C 2.382 179.957 177.584 -0.014 0.000 1.181 67 A CA 2.154 54.022 52.037 -0.283 0.000 0.627 67 A CB -0.637 18.234 19.000 -0.215 0.000 0.818 67 A HN 0.382 nan 8.150 nan 0.000 0.445 68 K N -0.729 119.623 120.400 -0.080 0.000 2.063 68 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 68 K C 1.970 178.518 176.600 -0.087 0.000 1.048 68 K CA 1.449 57.709 56.287 -0.045 0.000 0.928 68 K CB -0.565 31.898 32.500 -0.063 0.000 0.713 68 K HN 0.407 nan 8.250 nan 0.000 0.442 69 G N -0.217 108.453 108.800 -0.216 0.000 2.470 69 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.220 69 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.220 69 G C 0.854 175.508 174.900 -0.410 0.000 1.121 69 G CA 0.385 45.289 45.100 -0.326 0.000 0.766 69 G HN 0.260 nan 8.290 nan 0.000 0.553 70 F N 0.306 120.162 119.950 -0.156 0.000 2.727 70 F HA 0.364 4.891 4.527 -0.000 0.000 0.302 70 F C 1.876 177.602 175.800 -0.123 0.000 1.097 70 F CA -0.511 57.275 58.000 -0.356 0.000 1.330 70 F CB 0.258 39.168 39.000 -0.150 0.000 1.084 70 F HN 0.204 nan 8.300 nan 0.000 0.578 71 G N 0.608 109.484 108.800 0.127 0.000 2.147 71 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.244 71 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.244 71 G C 0.242 175.270 174.900 0.213 0.000 1.005 71 G CA 0.373 45.575 45.100 0.169 0.000 0.713 71 G HN 0.463 nan 8.290 nan 0.000 0.515 72 S N -0.327 115.519 115.700 0.244 0.000 2.472 72 S HA 0.586 5.056 4.470 -0.000 0.000 0.303 72 S C 0.584 175.303 174.600 0.198 0.000 1.099 72 S CA 0.289 58.657 58.200 0.280 0.000 1.077 72 S CB 1.279 64.756 63.200 0.462 0.000 1.031 72 S HN 0.479 nan 8.310 nan 0.000 0.487 73 D N 3.224 123.727 120.400 0.172 0.000 2.440 73 D HA 0.186 4.826 4.640 -0.000 0.000 0.216 73 D C -0.154 176.253 176.300 0.177 0.000 1.150 73 D CA -0.127 53.954 54.000 0.135 0.000 0.832 73 D CB -0.150 40.707 40.800 0.095 0.000 0.992 73 D HN 0.378 nan 8.370 nan 0.000 0.502 74 L N 1.338 122.696 121.223 0.225 0.000 2.315 74 L HA 0.487 4.827 4.340 -0.000 0.000 0.278 74 L C -0.866 176.206 176.870 0.336 0.000 1.088 74 L CA -0.753 54.272 54.840 0.308 0.000 0.899 74 L CB 1.029 43.116 42.059 0.047 0.000 1.277 74 L HN -0.074 nan 8.230 nan 0.000 0.431 75 V N 3.494 123.547 119.914 0.231 0.000 2.638 75 V HA 0.557 4.677 4.120 -0.000 0.000 0.306 75 V C -0.497 175.466 176.094 -0.219 0.000 1.052 75 V CA -0.696 61.661 62.300 0.094 0.000 0.885 75 V CB 2.984 34.897 31.823 0.149 0.000 0.999 75 V HN 0.327 nan 8.190 nan 0.000 0.424 76 V N 4.285 123.982 119.914 -0.361 0.000 2.808 76 V HA 0.516 4.636 4.120 -0.000 0.000 0.308 76 V C -0.342 175.327 176.094 -0.708 0.000 1.099 76 V CA -0.794 61.117 62.300 -0.647 0.000 0.920 76 V CB 2.055 33.125 31.823 -1.254 0.000 1.014 76 V HN 0.907 nan 8.190 nan 0.000 0.425 77 K N 4.400 124.243 120.400 -0.927 0.000 2.412 77 K HA 0.339 4.659 4.320 -0.000 0.000 0.281 77 K C -1.001 175.243 176.600 -0.594 0.000 1.027 77 K CA 0.032 55.586 56.287 -1.222 0.000 0.989 77 K CB 0.500 32.532 32.500 -0.781 0.000 0.935 77 K HN 0.795 nan 8.250 nan 0.000 0.475 78 C N 5.415 124.431 119.300 -0.472 0.000 2.892 78 C HA 0.192 4.652 4.460 -0.000 0.000 0.360 78 C C -1.180 173.707 174.990 -0.171 0.000 1.054 78 C CA -0.921 57.946 59.018 -0.252 0.000 1.326 78 C CB 0.340 27.964 27.740 -0.194 0.000 1.806 78 C HN 0.885 nan 8.230 nan 0.000 0.490 79 D N 3.258 123.578 120.400 -0.132 0.000 2.365 79 D HA 0.179 4.819 4.640 -0.000 0.000 0.237 79 D C 1.326 177.596 176.300 -0.049 0.000 1.190 79 D CA -0.106 53.843 54.000 -0.085 0.000 0.867 79 D CB 1.499 42.254 40.800 -0.076 0.000 1.050 79 D HN 0.588 nan 8.370 nan 0.000 0.491 80 V N 2.183 122.081 119.914 -0.027 0.000 3.078 80 V HA -0.116 4.004 4.120 -0.000 0.000 0.265 80 V C 1.803 177.927 176.094 0.050 0.000 1.122 80 V CA 1.494 63.803 62.300 0.015 0.000 1.141 80 V CB -1.022 30.825 31.823 0.039 0.000 0.735 80 V HN 0.522 nan 8.190 nan 0.000 0.498 81 S N 0.451 116.168 115.700 0.029 0.000 2.515 81 S HA 0.178 4.648 4.470 -0.000 0.000 0.231 81 S C 0.677 175.296 174.600 0.032 0.000 0.987 81 S CA 0.270 58.494 58.200 0.040 0.000 0.936 81 S CB -0.764 62.445 63.200 0.015 0.000 0.766 81 S HN 0.631 nan 8.310 nan 0.000 0.528 82 L N 2.138 123.371 121.223 0.016 0.000 2.280 82 L HA 0.436 4.775 4.340 -0.000 0.000 0.287 82 L C 0.298 177.180 176.870 0.020 0.000 1.023 82 L CA -0.756 54.090 54.840 0.008 0.000 0.819 82 L CB 1.314 43.365 42.059 -0.014 0.000 1.212 82 L HN -0.060 nan 8.230 nan 0.000 0.420 83 D N 1.338 121.757 120.400 0.032 0.000 2.158 83 D HA -0.214 4.426 4.640 -0.000 0.000 0.197 83 D C 1.746 178.056 176.300 0.017 0.000 0.995 83 D CA 1.415 55.438 54.000 0.039 0.000 0.846 83 D CB 0.339 41.164 40.800 0.041 0.000 0.941 83 D HN 0.593 nan 8.370 nan 0.000 0.456 84 E N 0.860 121.063 120.200 0.005 0.000 2.150 84 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 84 E C 1.211 177.801 176.600 -0.016 0.000 0.985 84 E CA 1.052 57.450 56.400 -0.004 0.000 0.814 84 E CB -0.104 29.592 29.700 -0.007 0.000 0.752 84 E HN 0.099 nan 8.360 nan 0.000 0.466 85 D N -0.377 120.006 120.400 -0.027 0.000 2.144 85 D HA -0.085 4.555 4.640 -0.000 0.000 0.200 85 D C 1.813 178.085 176.300 -0.046 0.000 0.978 85 D CA 0.941 54.910 54.000 -0.053 0.000 0.833 85 D CB -0.044 40.714 40.800 -0.070 0.000 0.961 85 D HN 0.298 nan 8.370 nan 0.000 0.470 86 I N 0.556 121.113 120.570 -0.021 0.000 2.286 86 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 86 I C 2.196 178.309 176.117 -0.006 0.000 1.104 86 I CA 0.800 62.092 61.300 -0.014 0.000 1.397 86 I CB -0.103 37.897 38.000 0.000 0.000 1.072 86 I HN -0.053 nan 8.210 nan 0.000 0.417 87 K N 0.704 121.104 120.400 0.001 0.000 2.057 87 K HA -0.223 4.096 4.320 -0.000 0.000 0.207 87 K C 1.808 178.414 176.600 0.010 0.000 1.049 87 K CA 1.669 57.960 56.287 0.007 0.000 0.931 87 K CB -0.659 31.846 32.500 0.008 0.000 0.714 87 K HN 0.261 nan 8.250 nan 0.000 0.440 88 N N 1.377 120.077 118.700 0.001 0.000 2.166 88 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 88 N C 1.730 177.255 175.510 0.026 0.000 1.019 88 N CA 0.624 53.679 53.050 0.007 0.000 0.856 88 N CB -0.117 38.358 38.487 -0.021 0.000 0.993 88 N HN 0.047 nan 8.380 nan 0.000 0.426 89 L N 1.251 122.472 121.223 -0.003 0.000 2.046 89 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 89 L C 2.147 179.066 176.870 0.082 0.000 1.077 89 L CA 1.829 56.677 54.840 0.014 0.000 0.747 89 L CB -0.859 41.181 42.059 -0.031 0.000 0.896 89 L HN 0.165 nan 8.230 nan 0.000 0.432 90 K N -0.645 119.784 120.400 0.049 0.000 2.063 90 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 90 K C 2.072 178.707 176.600 0.059 0.000 1.048 90 K CA 1.401 57.717 56.287 0.049 0.000 0.928 90 K CB -0.014 32.501 32.500 0.025 0.000 0.713 90 K HN 0.239 nan 8.250 nan 0.000 0.442 91 K N 0.387 120.823 120.400 0.061 0.000 2.026 91 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 91 K C 2.009 178.651 176.600 0.069 0.000 1.048 91 K CA 1.317 57.637 56.287 0.055 0.000 0.929 91 K CB -0.686 31.845 32.500 0.051 0.000 0.713 91 K HN 0.228 nan 8.250 nan 0.000 0.439 92 F N 2.007 121.928 119.950 -0.049 0.000 2.126 92 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 92 F C 1.993 177.730 175.800 -0.105 0.000 1.096 92 F CA 1.369 59.323 58.000 -0.077 0.000 1.255 92 F CB -0.203 38.742 39.000 -0.092 0.000 0.997 92 F HN -0.106 nan 8.300 nan 0.000 0.479 93 L N -0.257 120.970 121.223 0.006 0.000 2.072 93 L HA -0.153 4.187 4.340 -0.000 0.000 0.205 93 L C 2.379 179.228 176.870 -0.034 0.000 1.079 93 L CA 1.401 56.194 54.840 -0.077 0.000 0.752 93 L CB -0.835 41.275 42.059 0.085 0.000 0.906 93 L HN 0.130 nan 8.230 nan 0.000 0.436 94 E N 0.265 120.464 120.200 -0.003 0.000 2.085 94 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 94 E C 2.086 178.669 176.600 -0.028 0.000 0.994 94 E CA 1.503 57.907 56.400 0.007 0.000 0.801 94 E CB 0.023 29.729 29.700 0.010 0.000 0.743 94 E HN 0.510 nan 8.360 nan 0.000 0.453 95 E N 0.031 120.176 120.200 -0.091 0.000 2.072 95 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 95 E C 1.823 178.329 176.600 -0.157 0.000 0.982 95 E CA 0.629 56.960 56.400 -0.115 0.000 0.803 95 E CB 0.141 29.761 29.700 -0.133 0.000 0.755 95 E HN 0.185 nan 8.360 nan 0.000 0.453 96 N N -0.964 117.556 118.700 -0.300 0.000 2.402 96 N HA -0.048 4.692 4.740 -0.000 0.000 0.174 96 N C 1.047 176.521 175.510 -0.060 0.000 1.027 96 N CA 0.702 53.554 53.050 -0.329 0.000 0.891 96 N CB 0.302 38.343 38.487 -0.743 0.000 1.016 96 N HN 0.225 nan 8.380 nan 0.000 0.439 97 W N -0.197 121.020 121.300 -0.138 0.000 3.298 97 W HA 0.328 4.988 4.660 -0.000 0.000 0.239 97 W C 1.552 178.034 176.519 -0.060 0.000 1.082 97 W CA 0.879 58.175 57.345 -0.081 0.000 1.711 97 W CB -0.748 28.674 29.460 -0.064 0.000 0.944 97 W HN 0.152 nan 8.180 nan 0.000 0.712 98 G N 0.591 109.501 108.800 0.184 0.000 2.205 98 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.261 98 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.261 98 G C 0.326 175.272 174.900 0.077 0.000 0.980 98 G CA 1.023 46.178 45.100 0.092 0.000 0.632 98 G HN 0.619 nan 8.290 nan 0.000 0.533 99 S N -1.551 114.211 115.700 0.104 0.000 2.656 99 S HA 0.874 5.344 4.470 -0.000 0.000 0.273 99 S C -1.370 173.262 174.600 0.053 0.000 1.168 99 S CA -0.206 58.018 58.200 0.040 0.000 0.817 99 S CB 2.714 65.899 63.200 -0.024 0.000 1.146 99 S HN 1.686 nan 8.310 nan 0.000 0.475 100 L N 0.409 121.626 121.223 -0.010 0.000 2.505 100 L HA 0.625 4.965 4.340 -0.000 0.000 0.259 100 L C -0.899 175.918 176.870 -0.088 0.000 0.952 100 L CA -0.219 54.611 54.840 -0.016 0.000 0.840 100 L CB 2.113 44.218 42.059 0.078 0.000 1.358 100 L HN 0.891 nan 8.230 nan 0.000 0.409 101 D N 3.323 123.650 120.400 -0.122 0.000 2.463 101 D HA 0.332 4.972 4.640 -0.000 0.000 0.237 101 D C -0.071 176.180 176.300 -0.081 0.000 1.013 101 D CA 1.021 54.952 54.000 -0.114 0.000 0.910 101 D CB 1.271 41.979 40.800 -0.152 0.000 1.080 101 D HN 0.320 nan 8.370 nan 0.000 0.498 102 I N 1.287 121.834 120.570 -0.037 0.000 2.619 102 I HA 0.332 4.502 4.170 -0.000 0.000 0.292 102 I C -0.907 175.246 176.117 0.060 0.000 1.100 102 I CA -0.689 60.625 61.300 0.023 0.000 1.043 102 I CB 3.061 41.115 38.000 0.090 0.000 1.239 102 I HN -0.287 nan 8.210 nan 0.000 0.420 103 I N 5.802 126.399 120.570 0.046 0.000 2.406 103 I HA 0.380 4.550 4.170 -0.000 0.000 0.290 103 I C -0.658 175.492 176.117 0.054 0.000 0.999 103 I CA -0.926 60.401 61.300 0.046 0.000 1.124 103 I CB 1.984 39.996 38.000 0.020 0.000 1.289 103 I HN 0.135 nan 8.210 nan 0.000 0.441 104 V N 5.710 125.635 119.914 0.019 0.000 2.333 104 V HA 0.186 4.306 4.120 -0.000 0.000 0.274 104 V C 0.047 176.156 176.094 0.025 0.000 1.028 104 V CA -0.478 61.809 62.300 -0.022 0.000 0.851 104 V CB 0.861 32.569 31.823 -0.192 0.000 1.000 104 V HN 0.639 nan 8.190 nan 0.000 0.456 105 H N 4.295 123.345 119.070 -0.033 0.000 2.685 105 H HA 0.395 4.951 4.556 -0.000 0.000 0.286 105 H C -0.561 174.763 175.328 -0.007 0.000 1.102 105 H CA -0.078 55.959 56.048 -0.019 0.000 1.254 105 H CB 1.365 31.120 29.762 -0.013 0.000 1.397 105 H HN 0.586 nan 8.280 nan 0.000 0.473 106 S N 7.401 122.928 115.700 -0.288 0.000 2.130 106 S HA 0.407 4.877 4.470 -0.000 0.000 0.165 106 S C -0.839 173.608 174.600 -0.256 0.000 1.677 106 S CA -0.595 57.473 58.200 -0.221 0.000 1.227 106 S CB -0.694 62.450 63.200 -0.093 0.000 1.115 106 S HN 0.633 nan 8.310 nan 0.000 0.452 107 I N 2.936 123.264 120.570 -0.404 0.000 2.563 107 I HA 0.645 4.815 4.170 -0.000 0.000 0.285 107 I C -0.596 175.457 176.117 -0.106 0.000 1.123 107 I CA -0.562 60.587 61.300 -0.250 0.000 1.059 107 I CB 1.816 39.638 38.000 -0.296 0.000 1.229 107 I HN 0.538 nan 8.210 nan 0.000 0.442 108 A N 5.703 128.533 122.820 0.017 0.000 2.513 108 A HA 0.806 5.126 4.320 -0.000 0.000 0.296 108 A C -2.064 175.627 177.584 0.178 0.000 1.052 108 A CA -0.457 51.633 52.037 0.088 0.000 0.714 108 A CB 1.577 20.624 19.000 0.078 0.000 1.279 108 A HN 0.666 nan 8.150 nan 0.000 0.397 109 Y N 1.064 121.385 120.300 0.034 0.000 2.521 109 Y HA 0.658 5.208 4.550 -0.000 0.000 0.332 109 Y C -0.828 175.103 175.900 0.052 0.000 1.121 109 Y CA 0.093 58.227 58.100 0.057 0.000 1.037 109 Y CB 1.596 40.075 38.460 0.032 0.000 1.330 109 Y HN 1.544 nan 8.280 nan 0.000 0.452 110 A N 5.821 128.168 122.820 -0.789 0.000 2.515 110 A HA 0.799 5.119 4.320 -0.000 0.000 0.298 110 A C -3.161 173.801 177.584 -1.037 0.000 1.059 110 A CA -2.028 49.535 52.037 -0.790 0.000 0.698 110 A CB 1.571 20.236 19.000 -0.558 0.000 1.289 110 A HN 0.455 nan 8.150 nan 0.000 0.404 111 P HA 0.009 nan 4.420 nan 0.000 0.265 111 P C 0.562 177.759 177.300 -0.172 0.000 1.187 111 P CA 0.148 63.085 63.100 -0.271 0.000 0.766 111 P CB 0.561 32.210 31.700 -0.085 0.000 0.820 112 K N 3.086 123.499 120.400 0.021 0.000 2.152 112 K HA -0.193 4.126 4.320 -0.000 0.000 0.206 112 K C 1.125 177.796 176.600 0.118 0.000 1.048 112 K CA 1.495 57.888 56.287 0.177 0.000 0.933 112 K CB -0.390 32.193 32.500 0.138 0.000 0.721 112 K HN 0.402 nan 8.250 nan 0.000 0.447 113 E N 1.230 121.437 120.200 0.011 0.000 2.171 113 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 113 E C 1.728 178.280 176.600 -0.080 0.000 0.997 113 E CA 1.082 57.473 56.400 -0.014 0.000 0.810 113 E CB -0.086 29.602 29.700 -0.021 0.000 0.738 113 E HN 0.422 nan 8.360 nan 0.000 0.467 114 E N 0.183 120.237 120.200 -0.244 0.000 2.265 114 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 114 E C 1.524 177.860 176.600 -0.440 0.000 0.996 114 E CA 0.791 56.950 56.400 -0.401 0.000 0.832 114 E CB -0.211 29.130 29.700 -0.599 0.000 0.756 114 E HN 0.370 nan 8.360 nan 0.000 0.491 115 F N 0.941 120.880 119.950 -0.018 0.000 2.789 115 F HA 0.139 4.666 4.527 -0.000 0.000 0.300 115 F C 0.885 176.742 175.800 0.095 0.000 1.132 115 F CA 0.113 58.133 58.000 0.032 0.000 1.404 115 F CB 0.058 39.059 39.000 0.001 0.000 1.114 115 F HN -0.285 nan 8.300 nan 0.000 0.584 116 K N 0.405 120.906 120.400 0.168 0.000 2.174 116 K HA 0.484 4.804 4.320 -0.000 0.000 0.275 116 K C 0.877 177.564 176.600 0.146 0.000 1.015 116 K CA 0.304 56.677 56.287 0.143 0.000 0.933 116 K CB 0.788 33.331 32.500 0.073 0.000 1.025 116 K HN 0.219 nan 8.250 nan 0.000 0.463 117 G N 1.398 110.313 108.800 0.191 0.000 2.562 117 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.250 117 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.250 117 G C 0.095 175.057 174.900 0.104 0.000 1.269 117 G CA -0.497 44.681 45.100 0.130 0.000 0.919 117 G HN 0.863 nan 8.290 nan 0.000 0.574 118 G N -2.782 106.040 108.800 0.037 0.000 2.932 118 G HA2 0.662 4.622 3.960 -0.000 0.000 0.283 118 G HA3 0.662 4.622 3.960 -0.000 0.000 0.283 118 G C 1.114 176.019 174.900 0.008 0.000 1.336 118 G CA 0.694 45.797 45.100 0.006 0.000 1.056 118 G HN 1.399 nan 8.290 nan 0.000 0.522 119 V N 0.292 120.210 119.914 0.007 0.000 2.380 119 V HA -0.191 3.929 4.120 -0.000 0.000 0.251 119 V C 2.692 178.785 176.094 -0.002 0.000 1.063 119 V CA 1.916 64.221 62.300 0.007 0.000 1.055 119 V CB -0.661 31.176 31.823 0.025 0.000 0.657 119 V HN 0.601 nan 8.190 nan 0.000 0.455 120 I N 0.037 120.605 120.570 -0.004 0.000 2.502 120 I HA -0.265 3.905 4.170 -0.000 0.000 0.258 120 I C 1.615 177.723 176.117 -0.015 0.000 1.172 120 I CA 1.687 62.980 61.300 -0.012 0.000 1.430 120 I CB -0.109 37.886 38.000 -0.008 0.000 1.086 120 I HN 0.394 nan 8.210 nan 0.000 0.440 121 D N 0.232 120.626 120.400 -0.010 0.000 2.349 121 D HA 0.053 4.692 4.640 -0.000 0.000 0.214 121 D C 0.465 176.751 176.300 -0.023 0.000 1.063 121 D CA 0.207 54.200 54.000 -0.012 0.000 0.847 121 D CB 0.067 40.868 40.800 0.001 0.000 0.933 121 D HN 0.261 nan 8.370 nan 0.000 0.513 122 T N 1.535 116.074 114.554 -0.025 0.000 2.902 122 T HA 0.119 4.468 4.350 -0.000 0.000 0.301 122 T C 0.882 175.571 174.700 -0.019 0.000 1.012 122 T CA -0.124 61.962 62.100 -0.025 0.000 1.151 122 T CB 0.851 69.730 68.868 0.019 0.000 0.946 122 T HN 0.059 nan 8.240 nan 0.000 0.542 123 S N 3.352 119.042 115.700 -0.016 0.000 2.592 123 S HA 0.274 4.744 4.470 -0.000 0.000 0.271 123 S C 1.345 175.958 174.600 0.022 0.000 1.326 123 S CA -0.995 57.200 58.200 -0.008 0.000 1.024 123 S CB 1.229 64.423 63.200 -0.009 0.000 0.921 123 S HN 0.766 nan 8.310 nan 0.000 0.527 124 R N 0.614 121.116 120.500 0.003 0.000 2.083 124 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 124 R C 2.180 178.531 176.300 0.085 0.000 1.137 124 R CA 2.038 58.149 56.100 0.018 0.000 0.951 124 R CB -0.552 29.738 30.300 -0.017 0.000 0.851 124 R HN 0.892 nan 8.270 nan 0.000 0.434 125 E N -0.480 119.750 120.200 0.050 0.000 2.072 125 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 125 E C 1.782 178.415 176.600 0.056 0.000 0.985 125 E CA 1.762 58.193 56.400 0.052 0.000 0.801 125 E CB -0.593 29.125 29.700 0.031 0.000 0.750 125 E HN 0.456 nan 8.360 nan 0.000 0.452 126 G N -0.195 108.626 108.800 0.034 0.000 2.440 126 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 126 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 126 G C 1.553 176.449 174.900 -0.006 0.000 1.154 126 G CA 0.800 45.892 45.100 -0.013 0.000 0.767 126 G HN 0.401 nan 8.290 nan 0.000 0.552 127 F N 1.496 121.395 119.950 -0.085 0.000 2.102 127 F HA -0.009 4.518 4.527 -0.000 0.000 0.298 127 F C 2.745 178.519 175.800 -0.042 0.000 1.105 127 F CA 1.979 59.935 58.000 -0.074 0.000 1.239 127 F CB -0.066 38.898 39.000 -0.061 0.000 0.991 127 F HN 0.042 nan 8.300 nan 0.000 0.474 128 K N 0.413 120.920 120.400 0.180 0.000 2.032 128 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 128 K C 2.054 178.640 176.600 -0.022 0.000 1.048 128 K CA 2.160 58.496 56.287 0.083 0.000 0.927 128 K CB -0.409 32.153 32.500 0.103 0.000 0.712 128 K HN 0.356 nan 8.250 nan 0.000 0.441 129 I N 0.937 121.509 120.570 0.002 0.000 2.179 129 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 129 I C 2.545 178.666 176.117 0.006 0.000 1.088 129 I CA 1.162 62.483 61.300 0.035 0.000 1.357 129 I CB -0.448 37.608 38.000 0.095 0.000 1.051 129 I HN 0.172 nan 8.210 nan 0.000 0.409 130 A N 0.916 123.676 122.820 -0.100 0.000 1.883 130 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 130 A C 2.342 179.838 177.584 -0.146 0.000 1.186 130 A CA 1.786 53.733 52.037 -0.150 0.000 0.624 130 A CB -0.495 18.341 19.000 -0.273 0.000 0.822 130 A HN 0.308 nan 8.150 nan 0.000 0.444 131 M N -0.597 118.843 119.600 -0.268 0.000 2.175 131 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 131 M C 1.783 178.064 176.300 -0.033 0.000 1.063 131 M CA 1.920 57.093 55.300 -0.212 0.000 1.119 131 M CB -1.574 30.811 32.600 -0.358 0.000 1.377 131 M HN 0.585 nan 8.290 nan 0.000 0.415 132 D N 0.743 121.140 120.400 -0.005 0.000 2.097 132 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 132 D C 1.904 178.287 176.300 0.139 0.000 0.984 132 D CA 1.109 55.158 54.000 0.083 0.000 0.826 132 D CB 0.233 41.057 40.800 0.041 0.000 0.973 132 D HN 0.144 nan 8.370 nan 0.000 0.460 133 I N 0.233 120.869 120.570 0.110 0.000 2.286 133 I HA -0.108 4.061 4.170 -0.000 0.000 0.245 133 I C 2.172 178.375 176.117 0.142 0.000 1.104 133 I CA 0.900 62.277 61.300 0.129 0.000 1.397 133 I CB -1.115 36.978 38.000 0.155 0.000 1.072 133 I HN 0.014 nan 8.210 nan 0.000 0.417 134 S N -0.006 115.764 115.700 0.117 0.000 2.470 134 S HA 0.061 4.531 4.470 -0.000 0.000 0.225 134 S C 1.885 176.584 174.600 0.165 0.000 1.006 134 S CA 0.460 58.736 58.200 0.127 0.000 0.934 134 S CB 0.417 63.658 63.200 0.069 0.000 0.778 134 S HN 0.244 nan 8.310 nan 0.000 0.517 135 V N -1.193 118.792 119.914 0.118 0.000 3.161 135 V HA 0.152 4.272 4.120 -0.000 0.000 0.221 135 V C 1.497 177.621 176.094 0.050 0.000 1.296 135 V CA 0.074 62.421 62.300 0.079 0.000 1.306 135 V CB -0.847 31.007 31.823 0.051 0.000 1.171 135 V HN 0.379 nan 8.190 nan 0.000 0.513 136 Y N 2.819 123.119 120.300 0.000 0.000 2.256 136 Y HA -0.264 4.286 4.550 -0.000 0.000 0.288 136 Y C 2.815 178.712 175.900 -0.005 0.000 1.155 136 Y CA 1.782 59.877 58.100 -0.009 0.000 1.203 136 Y CB -0.257 38.199 38.460 -0.007 0.000 0.980 136 Y HN 0.396 nan 8.280 nan 0.000 0.530 137 S N -0.115 115.588 115.700 0.005 0.000 2.387 137 S HA -0.275 4.195 4.470 -0.000 0.000 0.230 137 S C 1.977 176.469 174.600 -0.180 0.000 1.035 137 S CA 1.489 59.680 58.200 -0.015 0.000 1.014 137 S CB -1.200 62.109 63.200 0.182 0.000 0.836 137 S HN 0.474 nan 8.310 nan 0.000 0.466 138 L N 1.707 122.722 121.223 -0.346 0.000 2.017 138 L HA 0.088 4.428 4.340 -0.000 0.000 0.208 138 L C 2.279 178.926 176.870 -0.372 0.000 1.073 138 L CA 1.515 56.002 54.840 -0.588 0.000 0.745 138 L CB -0.673 40.941 42.059 -0.742 0.000 0.894 138 L HN 0.370 nan 8.230 nan 0.000 0.432 139 I N -0.382 119.949 120.570 -0.398 0.000 2.163 139 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 139 I C 2.583 178.460 176.117 -0.399 0.000 1.085 139 I CA 1.355 62.424 61.300 -0.384 0.000 1.347 139 I CB -0.716 37.005 38.000 -0.465 0.000 1.044 139 I HN 0.378 nan 8.210 nan 0.000 0.408 140 A N 0.783 123.262 122.820 -0.568 0.000 1.898 140 A HA -0.119 4.200 4.320 -0.000 0.000 0.216 140 A C 2.293 179.780 177.584 -0.163 0.000 1.181 140 A CA 1.298 53.136 52.037 -0.331 0.000 0.620 140 A CB -0.805 18.038 19.000 -0.262 0.000 0.819 140 A HN 0.361 nan 8.150 nan 0.000 0.442 141 L N -0.731 120.401 121.223 -0.150 0.000 2.046 141 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 141 L C 2.815 179.633 176.870 -0.087 0.000 1.077 141 L CA 1.780 56.569 54.840 -0.084 0.000 0.747 141 L CB -0.843 41.188 42.059 -0.046 0.000 0.896 141 L HN 0.341 nan 8.230 nan 0.000 0.432 142 T N -0.916 113.567 114.554 -0.119 0.000 2.674 142 T HA -0.231 4.119 4.350 -0.000 0.000 0.265 142 T C 1.984 176.634 174.700 -0.082 0.000 1.039 142 T CA 1.455 63.496 62.100 -0.097 0.000 1.150 142 T CB -0.217 68.592 68.868 -0.098 0.000 0.864 142 T HN 0.259 nan 8.240 nan 0.000 0.427 143 R N 0.910 121.359 120.500 -0.084 0.000 2.083 143 R HA -0.161 4.179 4.340 -0.000 0.000 0.237 143 R C 2.394 178.662 176.300 -0.053 0.000 1.137 143 R CA 1.901 57.965 56.100 -0.059 0.000 0.951 143 R CB -0.207 30.065 30.300 -0.047 0.000 0.851 143 R HN 0.248 nan 8.270 nan 0.000 0.434 144 E N 0.264 120.435 120.200 -0.049 0.000 2.106 144 E HA -0.086 4.264 4.350 -0.000 0.000 0.192 144 E C 1.714 178.294 176.600 -0.032 0.000 0.984 144 E CA 1.184 57.566 56.400 -0.031 0.000 0.806 144 E CB 0.055 29.742 29.700 -0.022 0.000 0.750 144 E HN 0.454 nan 8.360 nan 0.000 0.458 145 L N -0.264 120.933 121.223 -0.043 0.000 2.585 145 L HA 0.108 4.448 4.340 -0.000 0.000 0.226 145 L C 1.847 178.673 176.870 -0.073 0.000 1.113 145 L CA -0.209 54.608 54.840 -0.038 0.000 0.876 145 L CB -0.021 42.024 42.059 -0.024 0.000 1.072 145 L HN 0.152 nan 8.230 nan 0.000 0.468 146 L N 1.269 122.433 121.223 -0.097 0.000 2.013 146 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 146 L C -0.330 176.470 176.870 -0.117 0.000 1.073 146 L CA 2.275 57.029 54.840 -0.143 0.000 0.753 146 L CB -1.187 40.790 42.059 -0.137 0.000 0.890 146 L HN 0.115 nan 8.230 nan 0.000 0.432 147 P HA -0.205 nan 4.420 nan 0.000 0.216 147 P C 1.988 179.273 177.300 -0.026 0.000 1.150 147 P CA 1.435 64.502 63.100 -0.054 0.000 0.843 147 P CB -0.046 31.631 31.700 -0.038 0.000 0.787 148 L N -2.327 118.881 121.223 -0.025 0.000 2.265 148 L HA -0.093 4.247 4.340 -0.000 0.000 0.215 148 L C 2.280 179.137 176.870 -0.020 0.000 1.117 148 L CA 1.229 56.067 54.840 -0.004 0.000 0.782 148 L CB -0.556 41.516 42.059 0.022 0.000 0.914 148 L HN 0.018 nan 8.230 nan 0.000 0.441 149 M N -0.991 118.567 119.600 -0.070 0.000 2.561 149 M HA -0.012 4.468 4.480 -0.000 0.000 0.238 149 M C 0.736 177.083 176.300 0.078 0.000 1.131 149 M CA 0.150 55.386 55.300 -0.106 0.000 1.046 149 M CB 0.102 32.428 32.600 -0.456 0.000 1.532 149 M HN 0.103 nan 8.290 nan 0.000 0.497 150 E N 0.739 120.993 120.200 0.090 0.000 2.558 150 E HA -0.010 4.340 4.350 -0.000 0.000 0.255 150 E C 0.972 177.635 176.600 0.105 0.000 0.968 150 E CA 0.812 57.293 56.400 0.135 0.000 0.939 150 E CB 0.244 29.986 29.700 0.070 0.000 0.921 150 E HN 0.551 nan 8.360 nan 0.000 0.477 151 G N 4.797 113.658 108.800 0.101 0.000 2.166 151 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 151 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 151 G C 0.837 175.766 174.900 0.048 0.000 0.986 151 G CA 0.525 45.653 45.100 0.048 0.000 0.683 151 G HN 0.603 nan 8.290 nan 0.000 0.527 152 R N 0.038 120.600 120.500 0.103 0.000 2.308 152 R HA 0.106 4.446 4.340 -0.000 0.000 0.202 152 R C 0.850 177.197 176.300 0.078 0.000 0.898 152 R CA 0.296 56.433 56.100 0.062 0.000 1.046 152 R CB -0.239 30.078 30.300 0.029 0.000 1.026 152 R HN 0.443 nan 8.270 nan 0.000 0.512 153 N N 1.269 120.052 118.700 0.139 0.000 2.648 153 N HA -0.129 4.611 4.740 -0.000 0.000 0.265 153 N C 0.064 175.689 175.510 0.191 0.000 1.100 153 N CA 1.210 54.338 53.050 0.130 0.000 0.715 153 N CB -1.164 37.337 38.487 0.023 0.000 0.881 153 N HN 0.388 nan 8.380 nan 0.000 0.548 154 G N -0.579 108.466 108.800 0.408 0.000 2.588 154 G HA2 0.742 4.702 3.960 -0.000 0.000 0.281 154 G HA3 0.742 4.702 3.960 -0.000 0.000 0.281 154 G C -0.332 174.599 174.900 0.052 0.000 1.236 154 G CA 0.185 45.325 45.100 0.066 0.000 0.969 154 G HN 0.641 nan 8.290 nan 0.000 0.504 155 A N -0.606 122.203 122.820 -0.017 0.000 2.455 155 A HA 0.711 5.031 4.320 -0.000 0.000 0.300 155 A C -0.868 176.715 177.584 -0.000 0.000 1.040 155 A CA -0.544 51.489 52.037 -0.005 0.000 0.697 155 A CB 1.231 20.213 19.000 -0.030 0.000 1.265 155 A HN 0.596 nan 8.150 nan 0.000 0.407 156 I N 1.518 122.095 120.570 0.011 0.000 2.569 156 I HA 0.635 4.805 4.170 -0.000 0.000 0.296 156 I C -0.736 175.404 176.117 0.039 0.000 1.028 156 I CA -1.126 60.187 61.300 0.021 0.000 1.082 156 I CB 2.053 40.052 38.000 -0.003 0.000 1.264 156 I HN 0.422 nan 8.210 nan 0.000 0.429 157 V N 4.851 124.802 119.914 0.061 0.000 2.709 157 V HA 0.631 4.751 4.120 -0.000 0.000 0.308 157 V C -0.555 175.591 176.094 0.087 0.000 1.062 157 V CA 0.020 62.360 62.300 0.067 0.000 0.901 157 V CB 2.315 34.185 31.823 0.079 0.000 1.003 157 V HN 0.871 nan 8.190 nan 0.000 0.425 158 T N 5.709 120.322 114.554 0.098 0.000 2.910 158 T HA 0.716 5.066 4.350 -0.000 0.000 0.287 158 T C -1.134 173.634 174.700 0.112 0.000 1.050 158 T CA -0.545 61.652 62.100 0.161 0.000 1.011 158 T CB 1.468 70.473 68.868 0.229 0.000 1.195 158 T HN 0.597 nan 8.240 nan 0.000 0.540 159 L N 2.043 123.339 121.223 0.121 0.000 2.334 159 L HA 0.722 5.062 4.340 -0.000 0.000 0.276 159 L C 0.056 177.002 176.870 0.126 0.000 1.014 159 L CA -0.489 54.407 54.840 0.094 0.000 0.815 159 L CB 2.000 44.098 42.059 0.065 0.000 1.268 159 L HN 0.622 nan 8.230 nan 0.000 0.428 160 S N 1.305 117.082 115.700 0.127 0.000 2.851 160 S HA 0.728 5.198 4.470 -0.000 0.000 0.313 160 S C -1.904 172.846 174.600 0.249 0.000 1.163 160 S CA -0.352 57.954 58.200 0.176 0.000 0.850 160 S CB 1.667 64.938 63.200 0.119 0.000 1.245 160 S HN 0.435 nan 8.310 nan 0.000 0.558 161 Y N -0.034 120.331 120.300 0.109 0.000 2.581 161 Y HA 0.395 4.945 4.550 -0.000 0.000 0.337 161 Y C -0.088 175.886 175.900 0.123 0.000 1.108 161 Y CA -0.814 57.323 58.100 0.061 0.000 1.033 161 Y CB 0.660 39.073 38.460 -0.078 0.000 1.318 161 Y HN 0.750 nan 8.280 nan 0.000 0.459 162 Y N 3.004 122.765 120.300 -0.898 0.000 2.365 162 Y HA -0.047 4.503 4.550 -0.000 0.000 0.287 162 Y C 1.975 177.628 175.900 -0.412 0.000 1.162 162 Y CA 2.262 60.039 58.100 -0.538 0.000 1.260 162 Y CB -0.481 37.678 38.460 -0.501 0.000 0.976 162 Y HN 0.865 nan 8.280 nan 0.000 0.548 163 G N -0.708 107.736 108.800 -0.594 0.000 2.535 163 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 163 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 163 G C 1.791 176.765 174.900 0.123 0.000 1.122 163 G CA 0.704 45.749 45.100 -0.092 0.000 0.769 163 G HN 0.557 nan 8.290 nan 0.000 0.549 164 A N 0.326 123.208 122.820 0.103 0.000 2.015 164 A HA 0.101 4.421 4.320 -0.000 0.000 0.219 164 A C 2.101 179.693 177.584 0.013 0.000 1.163 164 A CA 1.691 53.793 52.037 0.108 0.000 0.646 164 A CB -0.091 18.984 19.000 0.125 0.000 0.806 164 A HN 0.456 nan 8.150 nan 0.000 0.448 165 E N -1.358 118.776 120.200 -0.110 0.000 2.290 165 E HA 0.101 4.451 4.350 -0.000 0.000 0.199 165 E C -0.093 176.369 176.600 -0.229 0.000 0.912 165 E CA 0.296 56.607 56.400 -0.148 0.000 0.924 165 E CB 0.388 29.983 29.700 -0.176 0.000 0.901 165 E HN 0.175 nan 8.360 nan 0.000 0.487 166 K N 0.718 120.887 120.400 -0.384 0.000 2.444 166 K HA 0.387 4.707 4.320 -0.000 0.000 0.252 166 K C -0.715 175.791 176.600 -0.157 0.000 0.993 166 K CA -0.928 55.175 56.287 -0.305 0.000 0.847 166 K CB 2.269 34.466 32.500 -0.505 0.000 1.340 166 K HN -0.183 nan 8.250 nan 0.000 0.446 167 V N 1.909 121.789 119.914 -0.057 0.000 2.446 167 V HA 0.094 4.214 4.120 -0.000 0.000 0.276 167 V C -0.056 176.069 176.094 0.051 0.000 1.030 167 V CA -0.428 61.884 62.300 0.019 0.000 1.033 167 V CB 0.761 32.599 31.823 0.025 0.000 0.993 167 V HN 0.320 nan 8.190 nan 0.000 0.477 168 V N 8.471 128.454 119.914 0.114 0.000 2.313 168 V HA 0.313 4.433 4.120 -0.000 0.000 0.278 168 V C -2.157 174.049 176.094 0.187 0.000 1.017 168 V CA -1.931 60.468 62.300 0.164 0.000 0.823 168 V CB 1.515 33.463 31.823 0.208 0.000 1.010 168 V HN 0.748 nan 8.190 nan 0.000 0.443 169 P HA 0.141 nan 4.420 nan 0.000 0.264 169 P C 0.277 177.620 177.300 0.073 0.000 1.183 169 P CA 0.661 63.756 63.100 -0.009 0.000 0.763 169 P CB 0.122 31.780 31.700 -0.071 0.000 0.807 170 H N -1.097 118.086 119.070 0.187 0.000 4.123 170 H HA -0.274 4.282 4.556 -0.000 0.000 0.146 170 H C 0.812 176.358 175.328 0.363 0.000 0.800 170 H CA 1.281 57.464 56.048 0.225 0.000 1.256 170 H CB -2.126 27.737 29.762 0.168 0.000 0.848 170 H HN 0.458 nan 8.280 nan 0.000 0.462 171 Y N 1.917 122.388 120.300 0.285 0.000 2.293 171 Y HA -0.189 4.361 4.550 -0.000 0.000 0.291 171 Y C 1.511 177.622 175.900 0.351 0.000 1.137 171 Y CA 1.581 59.871 58.100 0.316 0.000 1.202 171 Y CB 0.022 38.643 38.460 0.268 0.000 0.990 171 Y HN 0.341 nan 8.280 nan 0.000 0.537 172 N N -0.907 117.940 118.700 0.244 0.000 1.194 172 N HA -0.358 4.382 4.740 -0.000 0.000 0.131 172 N C 1.242 176.734 175.510 -0.030 0.000 0.688 172 N CA 1.989 55.084 53.050 0.076 0.000 0.927 172 N CB -1.592 36.910 38.487 0.025 0.000 1.224 172 N HN 0.257 nan 8.380 nan 0.000 0.529 173 V N 0.304 120.126 119.914 -0.154 0.000 2.594 173 V HA -0.162 3.958 4.120 -0.000 0.000 0.253 173 V C 2.339 178.316 176.094 -0.196 0.000 1.069 173 V CA 2.507 64.715 62.300 -0.153 0.000 1.082 173 V CB -0.401 31.299 31.823 -0.205 0.000 0.680 173 V HN 0.504 nan 8.190 nan 0.000 0.469 174 M N 0.829 120.249 119.600 -0.301 0.000 2.296 174 M HA 0.057 4.537 4.480 -0.000 0.000 0.265 174 M C 1.911 178.036 176.300 -0.293 0.000 1.064 174 M CA 1.778 56.821 55.300 -0.428 0.000 1.109 174 M CB -1.183 30.929 32.600 -0.813 0.000 1.396 174 M HN 0.330 nan 8.290 nan 0.000 0.430 175 G N -0.338 108.399 108.800 -0.105 0.000 2.408 175 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.217 175 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.217 175 G C 1.542 176.533 174.900 0.152 0.000 1.150 175 G CA 0.903 46.177 45.100 0.291 0.000 0.776 175 G HN 0.523 nan 8.290 nan 0.000 0.542 176 I N 1.276 121.889 120.570 0.071 0.000 2.202 176 I HA -0.103 4.067 4.170 -0.000 0.000 0.242 176 I C 3.289 179.423 176.117 0.028 0.000 1.091 176 I CA 0.910 62.249 61.300 0.065 0.000 1.368 176 I CB -0.261 37.793 38.000 0.090 0.000 1.058 176 I HN 0.218 nan 8.210 nan 0.000 0.410 177 A N 0.901 123.701 122.820 -0.033 0.000 1.908 177 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 177 A C 2.287 179.900 177.584 0.048 0.000 1.181 177 A CA 1.581 53.594 52.037 -0.039 0.000 0.627 177 A CB -0.357 18.593 19.000 -0.082 0.000 0.818 177 A HN 0.207 nan 8.150 nan 0.000 0.445 178 K N -0.100 120.366 120.400 0.110 0.000 2.097 178 K HA 0.025 4.345 4.320 -0.000 0.000 0.205 178 K C 2.222 178.901 176.600 0.131 0.000 1.050 178 K CA 1.230 57.617 56.287 0.166 0.000 0.938 178 K CB -0.843 31.833 32.500 0.294 0.000 0.718 178 K HN 0.460 nan 8.250 nan 0.000 0.442 179 A N 1.576 124.466 122.820 0.116 0.000 1.902 179 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 179 A C 2.429 180.063 177.584 0.084 0.000 1.181 179 A CA 2.070 54.163 52.037 0.093 0.000 0.623 179 A CB -0.590 18.460 19.000 0.084 0.000 0.818 179 A HN 0.288 nan 8.150 nan 0.000 0.443 180 A N -0.597 122.267 122.820 0.073 0.000 1.902 180 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 180 A C 2.127 179.752 177.584 0.068 0.000 1.181 180 A CA 1.688 53.763 52.037 0.063 0.000 0.623 180 A CB -0.615 18.407 19.000 0.037 0.000 0.818 180 A HN 0.636 nan 8.150 nan 0.000 0.443 181 L N 0.202 121.468 121.223 0.073 0.000 2.012 181 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 181 L C 2.232 179.149 176.870 0.078 0.000 1.073 181 L CA 2.472 57.358 54.840 0.076 0.000 0.748 181 L CB -0.609 41.511 42.059 0.102 0.000 0.891 181 L HN 0.532 nan 8.230 nan 0.000 0.431 182 E N -1.398 118.853 120.200 0.085 0.000 2.110 182 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 182 E C 2.266 178.922 176.600 0.093 0.000 0.988 182 E CA 1.248 57.694 56.400 0.078 0.000 0.804 182 E CB -0.220 29.523 29.700 0.070 0.000 0.745 182 E HN 0.515 nan 8.360 nan 0.000 0.458 183 S N -0.034 115.735 115.700 0.116 0.000 2.382 183 S HA -0.149 4.321 4.470 -0.000 0.000 0.228 183 S C 2.041 176.794 174.600 0.254 0.000 1.027 183 S CA 1.642 59.951 58.200 0.183 0.000 0.991 183 S CB -0.259 63.050 63.200 0.181 0.000 0.823 183 S HN 0.226 nan 8.310 nan 0.000 0.469 184 T N 1.638 116.288 114.554 0.159 0.000 2.746 184 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 184 T C 1.832 176.611 174.700 0.132 0.000 1.039 184 T CA 1.459 63.639 62.100 0.133 0.000 1.142 184 T CB -0.532 68.364 68.868 0.046 0.000 0.866 184 T HN 0.264 nan 8.240 nan 0.000 0.444 185 V N 1.608 121.576 119.914 0.090 0.000 2.287 185 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 185 V C 2.650 178.792 176.094 0.079 0.000 1.053 185 V CA 1.744 64.084 62.300 0.067 0.000 1.027 185 V CB -0.586 31.267 31.823 0.049 0.000 0.646 185 V HN 0.413 nan 8.190 nan 0.000 0.447 186 R N -1.282 119.266 120.500 0.080 0.000 2.080 186 R HA -0.190 4.150 4.340 -0.000 0.000 0.236 186 R C 2.329 178.625 176.300 -0.006 0.000 1.137 186 R CA 2.223 58.328 56.100 0.008 0.000 0.943 186 R CB -0.598 29.666 30.300 -0.061 0.000 0.846 186 R HN 0.516 nan 8.270 nan 0.000 0.431 187 Y N 1.015 121.351 120.300 0.061 0.000 2.181 187 Y HA -0.186 4.364 4.550 -0.000 0.000 0.288 187 Y C 2.319 178.301 175.900 0.137 0.000 1.146 187 Y CA 1.259 59.415 58.100 0.093 0.000 1.164 187 Y CB -0.294 38.203 38.460 0.062 0.000 0.982 187 Y HN 0.006 nan 8.280 nan 0.000 0.515 188 L N -1.014 120.344 121.223 0.225 0.000 2.083 188 L HA -0.252 4.088 4.340 -0.000 0.000 0.209 188 L C 2.689 179.632 176.870 0.121 0.000 1.083 188 L CA 0.980 55.905 54.840 0.142 0.000 0.752 188 L CB -0.857 41.244 42.059 0.071 0.000 0.899 188 L HN 0.243 nan 8.230 nan 0.000 0.433 189 A N -0.412 122.472 122.820 0.106 0.000 1.883 189 A HA -0.318 4.002 4.320 -0.000 0.000 0.217 189 A C 2.199 179.842 177.584 0.099 0.000 1.186 189 A CA 1.924 54.011 52.037 0.084 0.000 0.624 189 A CB -0.989 18.048 19.000 0.062 0.000 0.822 189 A HN 0.492 nan 8.150 nan 0.000 0.444 190 Y N 1.211 121.509 120.300 -0.003 0.000 2.128 190 Y HA -0.241 4.309 4.550 -0.000 0.000 0.284 190 Y C 1.937 177.855 175.900 0.029 0.000 1.154 190 Y CA 2.103 60.198 58.100 -0.009 0.000 1.149 190 Y CB -0.262 38.172 38.460 -0.044 0.000 0.976 190 Y HN 0.369 nan 8.280 nan 0.000 0.505 191 D N 0.334 120.759 120.400 0.043 0.000 2.097 191 D HA -0.186 4.454 4.640 -0.000 0.000 0.195 191 D C 2.159 178.463 176.300 0.007 0.000 0.989 191 D CA 2.207 56.202 54.000 -0.007 0.000 0.827 191 D CB -0.503 40.367 40.800 0.116 0.000 0.966 191 D HN 0.675 nan 8.370 nan 0.000 0.456 192 I N -2.208 118.401 120.570 0.065 0.000 3.603 192 I HA 0.229 4.399 4.170 -0.000 0.000 0.297 192 I C 2.033 178.191 176.117 0.067 0.000 1.269 192 I CA 0.268 61.659 61.300 0.152 0.000 1.361 192 I CB -0.007 38.103 38.000 0.183 0.000 1.063 192 I HN -0.202 nan 8.210 nan 0.000 0.448 193 A N 3.535 126.338 122.820 -0.028 0.000 1.978 193 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 193 A C 2.421 179.908 177.584 -0.161 0.000 1.170 193 A CA 2.062 54.049 52.037 -0.084 0.000 0.636 193 A CB -0.649 18.303 19.000 -0.080 0.000 0.810 193 A HN 0.701 nan 8.150 nan 0.000 0.448 194 K N -1.414 118.850 120.400 -0.227 0.000 2.439 194 K HA -0.107 4.213 4.320 -0.000 0.000 0.197 194 K C 0.738 177.058 176.600 -0.467 0.000 1.041 194 K CA 1.297 57.383 56.287 -0.335 0.000 0.970 194 K CB -0.311 31.958 32.500 -0.385 0.000 0.773 194 K HN 0.627 nan 8.250 nan 0.000 0.479 195 H N -0.019 118.933 119.070 -0.197 0.000 2.586 195 H HA 0.155 4.711 4.556 -0.000 0.000 0.273 195 H C 0.847 175.792 175.328 -0.638 0.000 0.997 195 H CA 0.622 56.492 56.048 -0.297 0.000 1.177 195 H CB 1.188 30.862 29.762 -0.146 0.000 1.471 195 H HN 0.575 nan 8.280 nan 0.000 0.538 196 G N 1.275 109.833 108.800 -0.404 0.000 2.157 196 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.239 196 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.239 196 G C -0.087 174.621 174.900 -0.321 0.000 0.982 196 G CA -0.185 44.697 45.100 -0.362 0.000 0.650 196 G HN 0.429 nan 8.290 nan 0.000 0.527 197 H N -0.180 118.899 119.070 0.015 0.000 2.595 197 H HA 0.761 5.317 4.556 -0.000 0.000 0.346 197 H C 0.602 175.927 175.328 -0.004 0.000 1.181 197 H CA -0.357 55.693 56.048 0.004 0.000 1.242 197 H CB 1.075 30.845 29.762 0.013 0.000 1.652 197 H HN 0.352 nan 8.280 nan 0.000 0.548 198 R N 0.545 121.123 120.500 0.129 0.000 2.807 198 R HA 0.653 4.993 4.340 -0.000 0.000 0.276 198 R C -0.782 175.546 176.300 0.045 0.000 0.979 198 R CA -0.858 55.277 56.100 0.057 0.000 0.928 198 R CB 2.706 33.016 30.300 0.017 0.000 1.191 198 R HN 0.546 nan 8.270 nan 0.000 0.471 199 I N 1.273 121.864 120.570 0.035 0.000 2.644 199 I HA 0.422 4.592 4.170 -0.000 0.000 0.291 199 I C -1.640 174.493 176.117 0.026 0.000 1.180 199 I CA -0.567 60.749 61.300 0.027 0.000 1.040 199 I CB 1.903 39.919 38.000 0.026 0.000 1.255 199 I HN 0.646 nan 8.210 nan 0.000 0.422 200 N N 4.951 123.667 118.700 0.027 0.000 2.525 200 N HA 0.752 5.492 4.740 -0.000 0.000 0.270 200 N C -1.463 174.068 175.510 0.036 0.000 1.321 200 N CA -0.633 52.435 53.050 0.029 0.000 0.797 200 N CB 2.324 40.827 38.487 0.026 0.000 1.529 200 N HN 0.613 nan 8.380 nan 0.000 0.491 201 A N 0.716 123.553 122.820 0.029 0.000 2.350 201 A HA 0.726 5.046 4.320 -0.000 0.000 0.324 201 A C -0.579 177.011 177.584 0.009 0.000 1.118 201 A CA -0.573 51.482 52.037 0.030 0.000 0.783 201 A CB 0.627 19.644 19.000 0.029 0.000 1.236 201 A HN 0.589 nan 8.150 nan 0.000 0.457 202 I N 1.791 122.375 120.570 0.023 0.000 2.312 202 I HA 0.217 4.387 4.170 -0.000 0.000 0.290 202 I C 0.607 176.724 176.117 0.001 0.000 1.008 202 I CA -0.135 61.171 61.300 0.009 0.000 1.226 202 I CB 1.806 39.831 38.000 0.041 0.000 1.371 202 I HN 0.549 nan 8.210 nan 0.000 0.468 203 S N 6.119 121.772 115.700 -0.077 0.000 2.411 203 S HA 0.571 5.041 4.470 -0.000 0.000 0.304 203 S C 0.090 174.724 174.600 0.056 0.000 1.098 203 S CA -0.643 57.535 58.200 -0.038 0.000 1.068 203 S CB 0.035 63.092 63.200 -0.239 0.000 1.032 203 S HN 0.642 nan 8.310 nan 0.000 0.511 204 A N 4.353 127.248 122.820 0.124 0.000 2.310 204 A HA 0.734 5.054 4.320 -0.000 0.000 0.299 204 A C 0.882 178.585 177.584 0.199 0.000 1.147 204 A CA -0.285 51.827 52.037 0.125 0.000 0.818 204 A CB 0.394 19.448 19.000 0.089 0.000 1.096 204 A HN 0.903 nan 8.150 nan 0.000 0.495 205 G N 1.097 109.972 108.800 0.125 0.000 2.653 205 G HA2 0.495 4.455 3.960 -0.000 0.000 0.265 205 G HA3 0.495 4.455 3.960 -0.000 0.000 0.265 205 G C -2.635 172.300 174.900 0.058 0.000 1.237 205 G CA -1.175 43.989 45.100 0.106 0.000 0.946 205 G HN 0.547 nan 8.290 nan 0.000 0.522 206 P HA 0.194 nan 4.420 nan 0.000 0.267 206 P C -0.378 176.888 177.300 -0.056 0.000 1.200 206 P CA -0.295 62.749 63.100 -0.092 0.000 0.772 206 P CB 0.874 32.507 31.700 -0.112 0.000 0.855 207 V N 3.884 123.762 119.914 -0.060 0.000 2.427 207 V HA 0.166 4.286 4.120 -0.000 0.000 0.286 207 V C 0.892 176.971 176.094 -0.025 0.000 1.034 207 V CA -0.730 61.552 62.300 -0.030 0.000 0.893 207 V CB 0.669 32.479 31.823 -0.022 0.000 0.982 207 V HN 0.702 nan 8.190 nan 0.000 0.452 232 G N 3.470 112.036 108.800 -0.390 0.000 3.106 232 G HA2 0.145 4.105 3.960 -0.000 0.000 0.230 232 G HA3 0.145 4.105 3.960 -0.000 0.000 0.230 232 G C -0.161 174.720 174.900 -0.032 0.000 0.949 232 G CA 0.272 45.174 45.100 -0.331 0.000 1.827 232 G HN 0.314 nan 8.290 nan 0.000 0.573 233 K N -0.026 120.338 120.400 -0.061 0.000 2.139 233 K HA 0.353 4.673 4.320 -0.000 0.000 0.243 233 K C -2.372 174.207 176.600 -0.035 0.000 0.983 233 K CA -2.091 54.187 56.287 -0.015 0.000 0.890 233 K CB 1.138 33.642 32.500 0.007 0.000 1.090 233 K HN -0.116 nan 8.250 nan 0.000 0.445 234 P HA -0.118 nan 4.420 nan 0.000 0.263 234 P C -0.555 176.736 177.300 -0.015 0.000 1.168 234 P CA 0.509 63.592 63.100 -0.027 0.000 0.759 234 P CB 0.133 31.821 31.700 -0.020 0.000 0.782 235 I N -0.148 120.416 120.570 -0.010 0.000 3.210 235 I HA 0.695 4.865 4.170 -0.000 0.000 0.316 235 I C 0.482 176.606 176.117 0.012 0.000 1.067 235 I CA -0.749 60.554 61.300 0.004 0.000 1.047 235 I CB 1.239 39.246 38.000 0.013 0.000 1.352 235 I HN 0.274 nan 8.210 nan 0.000 0.565 236 T N -1.110 113.458 114.554 0.022 0.000 2.950 236 T HA 0.461 4.811 4.350 -0.000 0.000 0.288 236 T C 1.029 175.752 174.700 0.039 0.000 1.035 236 T CA -0.501 61.618 62.100 0.031 0.000 1.028 236 T CB 1.510 70.400 68.868 0.038 0.000 1.109 236 T HN 0.768 nan 8.240 nan 0.000 0.514 237 I N -1.556 119.045 120.570 0.051 0.000 2.614 237 I HA 0.026 4.196 4.170 -0.000 0.000 0.258 237 I C 1.775 177.922 176.117 0.051 0.000 1.189 237 I CA 1.053 62.388 61.300 0.058 0.000 1.462 237 I CB -0.581 37.474 38.000 0.092 0.000 1.092 237 I HN 0.521 nan 8.210 nan 0.000 0.442 238 E N 1.787 122.020 120.200 0.055 0.000 2.107 238 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 238 E C 1.759 178.386 176.600 0.045 0.000 0.982 238 E CA 1.248 57.678 56.400 0.049 0.000 0.809 238 E CB -0.209 29.523 29.700 0.053 0.000 0.756 238 E HN 0.517 nan 8.360 nan 0.000 0.459 239 D N -0.019 120.407 120.400 0.043 0.000 2.104 239 D HA -0.143 4.497 4.640 -0.000 0.000 0.194 239 D C 1.991 178.322 176.300 0.051 0.000 0.994 239 D CA 1.078 55.104 54.000 0.044 0.000 0.830 239 D CB -0.273 40.550 40.800 0.038 0.000 0.959 239 D HN 0.053 nan 8.370 nan 0.000 0.452 240 V N 1.148 121.090 119.914 0.047 0.000 2.295 240 V HA -0.170 3.950 4.120 -0.000 0.000 0.246 240 V C 2.603 178.729 176.094 0.053 0.000 1.049 240 V CA 2.070 64.398 62.300 0.048 0.000 1.024 240 V CB -1.084 30.760 31.823 0.035 0.000 0.648 240 V HN 0.239 nan 8.190 nan 0.000 0.447 241 G N -0.139 108.685 108.800 0.040 0.000 2.446 241 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 241 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 241 G C 1.241 176.206 174.900 0.108 0.000 1.168 241 G CA 1.141 46.269 45.100 0.046 0.000 0.771 241 G HN 0.519 nan 8.290 nan 0.000 0.551 242 D N 0.070 120.521 120.400 0.085 0.000 2.183 242 D HA -0.043 4.597 4.640 -0.000 0.000 0.203 242 D C 2.701 179.073 176.300 0.120 0.000 0.969 242 D CA 1.273 55.324 54.000 0.085 0.000 0.842 242 D CB -0.527 40.305 40.800 0.054 0.000 0.957 242 D HN 0.223 nan 8.370 nan 0.000 0.484 243 T N 0.860 115.488 114.554 0.123 0.000 2.746 243 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 243 T C 2.067 176.895 174.700 0.212 0.000 1.039 243 T CA 1.383 63.586 62.100 0.171 0.000 1.142 243 T CB -0.232 68.713 68.868 0.129 0.000 0.866 243 T HN 0.186 nan 8.240 nan 0.000 0.444 244 A N 1.047 123.975 122.820 0.181 0.000 1.908 244 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 244 A C 2.584 180.346 177.584 0.297 0.000 1.181 244 A CA 1.407 53.582 52.037 0.230 0.000 0.627 244 A CB -1.081 18.037 19.000 0.197 0.000 0.818 244 A HN 0.353 nan 8.150 nan 0.000 0.445 245 V N -1.046 119.027 119.914 0.265 0.000 2.287 245 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 245 V C 2.286 178.344 176.094 -0.059 0.000 1.053 245 V CA 2.248 64.549 62.300 0.002 0.000 1.027 245 V CB -0.971 30.824 31.823 -0.047 0.000 0.646 245 V HN 0.673 nan 8.190 nan 0.000 0.447 246 F N 0.539 120.446 119.950 -0.072 0.000 2.095 246 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 246 F C 2.027 177.824 175.800 -0.006 0.000 1.104 246 F CA 1.770 59.737 58.000 -0.056 0.000 1.232 246 F CB -0.426 38.592 39.000 0.031 0.000 0.987 246 F HN 0.032 nan 8.300 nan 0.000 0.475 247 L N -0.681 120.434 121.223 -0.181 0.000 2.201 247 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 247 L C 1.977 178.719 176.870 -0.214 0.000 1.105 247 L CA 0.813 55.489 54.840 -0.273 0.000 0.775 247 L CB -0.670 41.384 42.059 -0.009 0.000 0.913 247 L HN 0.276 nan 8.230 nan 0.000 0.440 248 C N -0.837 118.378 119.300 -0.143 0.000 2.754 248 C HA 0.141 4.601 4.460 -0.000 0.000 0.276 248 C C 1.615 176.466 174.990 -0.231 0.000 1.264 248 C CA -0.495 58.444 59.018 -0.133 0.000 1.700 248 C CB -1.203 26.522 27.740 -0.026 0.000 1.885 248 C HN 0.501 nan 8.230 nan 0.000 0.607 249 S N 0.350 115.878 115.700 -0.287 0.000 2.713 249 S HA 0.302 4.772 4.470 -0.000 0.000 0.283 249 S C 0.379 174.870 174.600 -0.181 0.000 1.161 249 S CA -0.256 57.776 58.200 -0.279 0.000 0.999 249 S CB 0.845 63.823 63.200 -0.370 0.000 1.039 249 S HN 0.264 nan 8.310 nan 0.000 0.548 250 D N 0.091 120.440 120.400 -0.085 0.000 2.310 250 D HA -0.033 4.607 4.640 -0.000 0.000 0.212 250 D C 0.872 177.274 176.300 0.170 0.000 0.965 250 D CA 0.699 54.716 54.000 0.029 0.000 0.879 250 D CB -0.234 40.599 40.800 0.055 0.000 0.921 250 D HN 0.657 nan 8.370 nan 0.000 0.510 251 W N 1.454 122.697 121.300 -0.095 0.000 2.392 251 W HA 0.064 4.724 4.660 -0.000 0.000 0.279 251 W C 1.918 178.371 176.519 -0.110 0.000 1.225 251 W CA 0.203 57.546 57.345 -0.004 0.000 1.233 251 W CB -0.675 28.901 29.460 0.194 0.000 1.122 251 W HN -0.058 nan 8.180 nan 0.000 0.561 252 A N 0.812 123.505 122.820 -0.211 0.000 2.462 252 A HA 0.136 4.456 4.320 -0.000 0.000 0.261 252 A C 1.965 179.464 177.584 -0.141 0.000 1.323 252 A CA -0.106 51.694 52.037 -0.396 0.000 0.913 252 A CB -0.829 17.633 19.000 -0.897 0.000 1.028 252 A HN 0.362 nan 8.150 nan 0.000 0.511 253 R N -0.948 119.523 120.500 -0.048 0.000 2.200 253 R HA -0.066 4.274 4.340 -0.000 0.000 0.234 253 R C 1.238 177.530 176.300 -0.013 0.000 1.127 253 R CA 1.616 57.702 56.100 -0.024 0.000 0.989 253 R CB -0.347 29.953 30.300 0.000 0.000 0.869 253 R HN 0.322 nan 8.270 nan 0.000 0.459 254 A N 1.050 123.871 122.820 0.002 0.000 2.345 254 A HA 0.333 4.652 4.320 -0.000 0.000 0.225 254 A C 0.515 178.111 177.584 0.020 0.000 1.243 254 A CA -0.367 51.678 52.037 0.014 0.000 0.875 254 A CB 0.244 19.260 19.000 0.026 0.000 0.929 254 A HN 0.220 nan 8.150 nan 0.000 0.502 255 I N 0.118 120.692 120.570 0.007 0.000 2.355 255 I HA 0.431 4.601 4.170 -0.000 0.000 0.288 255 I C -0.173 175.947 176.117 0.005 0.000 0.999 255 I CA -0.168 61.143 61.300 0.019 0.000 1.163 255 I CB 1.986 40.007 38.000 0.034 0.000 1.316 255 I HN 0.010 nan 8.210 nan 0.000 0.454 256 T N 3.435 118.000 114.554 0.018 0.000 2.932 256 T HA 0.528 4.877 4.350 -0.000 0.000 0.318 256 T C 0.400 175.115 174.700 0.025 0.000 1.265 256 T CA 0.260 62.371 62.100 0.019 0.000 1.036 256 T CB 1.490 70.370 68.868 0.019 0.000 1.209 256 T HN 0.969 nan 8.240 nan 0.000 0.484 257 G N 2.426 111.243 108.800 0.028 0.000 2.179 257 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.257 257 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.257 257 G C -0.113 174.801 174.900 0.024 0.000 1.010 257 G CA 0.884 46.000 45.100 0.026 0.000 0.736 257 G HN 0.841 nan 8.290 nan 0.000 0.513 258 E N -0.488 119.728 120.200 0.027 0.000 2.214 258 E HA 0.633 4.983 4.350 -0.000 0.000 0.274 258 E C -0.081 176.525 176.600 0.010 0.000 0.977 258 E CA -0.714 55.702 56.400 0.027 0.000 0.827 258 E CB 1.676 31.401 29.700 0.042 0.000 1.130 258 E HN 0.312 nan 8.360 nan 0.000 0.394 259 V N 4.475 124.381 119.914 -0.014 0.000 2.357 259 V HA 0.339 4.459 4.120 -0.000 0.000 0.284 259 V C -0.638 175.369 176.094 -0.145 0.000 1.018 259 V CA -0.878 61.369 62.300 -0.089 0.000 0.841 259 V CB 1.455 33.203 31.823 -0.125 0.000 0.991 259 V HN 0.530 nan 8.190 nan 0.000 0.437 260 V N 4.886 124.726 119.914 -0.123 0.000 2.370 260 V HA 0.353 4.473 4.120 -0.000 0.000 0.279 260 V C -0.209 175.784 176.094 -0.170 0.000 1.029 260 V CA -0.750 61.504 62.300 -0.077 0.000 0.870 260 V CB 1.032 32.880 31.823 0.042 0.000 0.984 260 V HN 0.881 nan 8.190 nan 0.000 0.451 261 H N 2.971 121.978 119.070 -0.105 0.000 2.742 261 H HA 0.404 4.960 4.556 0.000 0.000 0.302 261 H C -0.184 175.126 175.328 -0.030 0.000 1.069 261 H CA -0.142 55.827 56.048 -0.131 0.000 1.446 261 H CB 1.023 30.522 29.762 -0.438 0.000 1.462 261 H HN 0.399 nan 8.280 nan 0.000 0.499 262 V N 4.501 124.471 119.914 0.093 0.000 2.250 262 V HA 0.132 4.252 4.120 -0.000 0.000 0.268 262 V C -0.236 175.903 176.094 0.076 0.000 1.043 262 V CA -0.394 61.953 62.300 0.078 0.000 0.814 262 V CB 0.497 32.357 31.823 0.061 0.000 1.072 262 V HN 0.982 nan 8.190 nan 0.000 0.451 263 D N 1.542 121.988 120.400 0.076 0.000 2.640 263 D HA 0.035 4.675 4.640 -0.000 0.000 0.282 263 D C 0.432 176.713 176.300 -0.033 0.000 1.558 263 D CA -0.420 53.608 54.000 0.046 0.000 0.820 263 D CB -0.354 40.504 40.800 0.096 0.000 1.243 263 D HN 0.247 nan 8.370 nan 0.000 0.456 264 N N 1.003 119.670 118.700 -0.055 0.000 2.693 264 N HA -0.167 4.573 4.740 -0.000 0.000 0.249 264 N C 1.216 176.474 175.510 -0.419 0.000 1.119 264 N CA 1.717 54.666 53.050 -0.168 0.000 0.717 264 N CB -1.453 36.931 38.487 -0.171 0.000 1.071 264 N HN 0.836 nan 8.380 nan 0.000 0.555 265 G N -1.419 107.226 108.800 -0.258 0.000 2.157 265 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.248 265 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.248 265 G C 0.601 175.174 174.900 -0.544 0.000 0.979 265 G CA 0.671 45.531 45.100 -0.401 0.000 0.650 265 G HN 0.509 nan 8.290 nan 0.000 0.529 266 Y N 1.849 121.848 120.300 -0.500 0.000 2.151 266 Y HA -0.278 4.272 4.550 0.000 0.000 0.284 266 Y C 2.843 178.430 175.900 -0.522 0.000 1.166 266 Y CA 2.708 60.544 58.100 -0.439 0.000 1.163 266 Y CB -0.181 38.080 38.460 -0.332 0.000 0.974 266 Y HN 0.701 nan 8.280 nan 0.000 0.511 267 H N 0.225 118.969 119.070 -0.544 0.000 2.489 267 H HA -0.174 4.382 4.556 0.000 0.000 0.295 267 H C 1.939 177.016 175.328 -0.419 0.000 1.082 267 H CA 1.670 57.226 56.048 -0.821 0.000 1.295 267 H CB -1.215 28.032 29.762 -0.858 0.000 1.380 267 H HN 0.664 nan 8.280 nan 0.000 0.548 268 I N -1.887 118.207 120.570 -0.793 0.000 2.928 268 I HA 0.054 4.224 4.170 -0.000 0.000 0.266 268 I C 0.462 176.442 176.117 -0.228 0.000 1.234 268 I CA 0.017 61.052 61.300 -0.442 0.000 1.483 268 I CB -0.099 37.691 38.000 -0.351 0.000 1.097 268 I HN -0.090 nan 8.210 nan 0.000 0.455 269 M N 2.180 121.613 119.600 -0.278 0.000 2.211 269 M HA 0.260 4.740 4.480 -0.000 0.000 0.356 269 M C 1.124 177.340 176.300 -0.139 0.000 1.216 269 M CA -0.082 55.098 55.300 -0.199 0.000 1.134 269 M CB 0.729 33.171 32.600 -0.263 0.000 1.564 269 M HN 0.222 nan 8.290 nan 0.000 0.463 270 G N 2.049 110.800 108.800 -0.082 0.000 3.192 270 G HA2 0.368 4.328 3.960 -0.000 0.000 0.239 270 G HA3 0.368 4.328 3.960 -0.000 0.000 0.239 270 G C 0.512 175.393 174.900 -0.033 0.000 1.084 270 G CA -0.179 44.897 45.100 -0.040 0.000 0.784 270 G HN 0.579 nan 8.290 nan 0.000 0.540 271 V N 0.000 119.884 119.914 -0.050 0.000 2.409 271 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 271 V CA 0.000 62.281 62.300 -0.032 0.000 1.235 271 V CB 0.000 31.809 31.823 -0.023 0.000 1.184 271 V HN 0.000 nan 8.190 nan 0.000 0.556