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 3q17_1_B DATA FIRST_RESID 26 DATA SEQUENCE SLHPRTLVAA IVVGLITGVL GAGFKSAVNN MLQWRSQLAQ ILAPIPPLAW DATA SEQUENCE LVTALISGGM VALSFWLMKR FAPDTSGSGI PQIEGHLEGK LPLVWQRVLP DATA SEQUENCE IKLVGGFLSL GAGMLAGFEG PTIQMGGSIG QMTGGWFKAT QENQRILIAV DATA SEQUENCE GAGAGLATAF NAPLAGVALI GEEMHPRFRS QTLAYHSLLF GCVMATIILR DATA SEQUENCE MIRGQSAIIS LTEFKRVPLD SLWMFIILGI LFGVMGYTFN RGLFKVLDWF DATA SEQUENCE DRLPPLATKW KGFLLGSIIG ILSLFPLPLT DGGDNAVLWA FNSQSHFSTL DATA SEQUENCE ILVFCGRFLL TLICYGSGAI GGIFAPMLGI ASIVSVAMAR HFHLLFPSQI DATA SEQUENCE PEPAVMAIAG MGALVAATVR APLTAILLTI EMTDNYFVIL PLLVTCLVAS DATA SEQUENCE VVAEALGGKP IYTVLLERTL AKQNR 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 26 S HA 0.000 nan 4.470 nan 0.000 0.327 26 S C 0.000 174.556 174.600 -0.073 0.000 1.055 26 S CA 0.000 58.160 58.200 -0.066 0.000 1.107 26 S CB 0.000 63.157 63.200 -0.071 0.000 0.593 27 L N 1.130 122.297 121.223 -0.094 0.000 2.357 27 L HA 0.682 5.022 4.340 -0.000 0.000 0.273 27 L C -0.084 176.808 176.870 0.036 0.000 1.080 27 L CA -0.211 54.582 54.840 -0.078 0.000 0.803 27 L CB -0.059 41.889 42.059 -0.184 0.000 1.174 27 L HN 0.266 nan 8.230 nan 0.000 0.443 28 H N 2.536 121.583 119.070 -0.038 0.000 2.708 28 H HA 0.357 4.912 4.556 -0.000 0.000 0.320 28 H C -2.274 173.065 175.328 0.020 0.000 0.991 28 H CA -1.872 54.171 56.048 -0.008 0.000 1.243 28 H CB 2.327 32.084 29.762 -0.009 0.000 1.446 28 H HN 0.476 nan 8.280 nan 0.000 0.502 29 P HA -0.215 nan 4.420 nan 0.000 0.214 29 P C 1.635 178.725 177.300 -0.350 0.000 1.169 29 P CA 1.210 64.162 63.100 -0.245 0.000 0.908 29 P CB 0.203 31.819 31.700 -0.140 0.000 0.791 30 R N -0.984 119.153 120.500 -0.605 0.000 2.185 30 R HA -0.101 4.239 4.340 -0.000 0.000 0.247 30 R C 1.938 178.172 176.300 -0.110 0.000 1.159 30 R CA 1.697 57.639 56.100 -0.263 0.000 0.988 30 R CB -1.340 28.897 30.300 -0.106 0.000 0.871 30 R HN 0.323 nan 8.270 nan 0.000 0.458 31 T N 1.006 115.428 114.554 -0.220 0.000 2.976 31 T HA 0.085 4.435 4.350 -0.000 0.000 0.257 31 T C 1.996 176.666 174.700 -0.049 0.000 1.051 31 T CA 0.363 62.445 62.100 -0.030 0.000 1.141 31 T CB 0.040 68.958 68.868 0.085 0.000 0.881 31 T HN 0.116 nan 8.240 nan 0.000 0.461 32 L N 0.912 122.115 121.223 -0.032 0.000 2.046 32 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 32 L C 2.653 179.441 176.870 -0.137 0.000 1.077 32 L CA 0.915 55.785 54.840 0.050 0.000 0.747 32 L CB -0.710 41.469 42.059 0.200 0.000 0.896 32 L HN 0.138 nan 8.230 nan 0.000 0.432 33 V N -0.086 119.748 119.914 -0.134 0.000 2.759 33 V HA -0.154 3.965 4.120 -0.000 0.000 0.256 33 V C 2.459 178.448 176.094 -0.174 0.000 1.080 33 V CA 1.572 63.783 62.300 -0.150 0.000 1.101 33 V CB 0.071 31.882 31.823 -0.020 0.000 0.698 33 V HN 0.408 nan 8.190 nan 0.000 0.477 34 A N -0.326 122.352 122.820 -0.237 0.000 1.930 34 A HA 0.184 4.503 4.320 -0.000 0.000 0.215 34 A C 2.368 179.695 177.584 -0.428 0.000 1.176 34 A CA 1.441 53.116 52.037 -0.604 0.000 0.632 34 A CB -0.685 17.972 19.000 -0.571 0.000 0.819 34 A HN 0.736 nan 8.150 nan 0.000 0.445 35 A N 0.088 122.761 122.820 -0.245 0.000 1.969 35 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 35 A C 1.937 179.407 177.584 -0.189 0.000 1.169 35 A CA 1.338 53.278 52.037 -0.161 0.000 0.635 35 A CB -0.436 18.547 19.000 -0.029 0.000 0.810 35 A HN 0.390 nan 8.150 nan 0.000 0.445 36 I N 0.089 120.492 120.570 -0.277 0.000 2.226 36 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 36 I C 2.467 178.452 176.117 -0.221 0.000 1.100 36 I CA 1.287 62.412 61.300 -0.292 0.000 1.374 36 I CB -1.321 36.453 38.000 -0.378 0.000 1.057 36 I HN 0.158 nan 8.210 nan 0.000 0.413 37 V N 0.444 120.207 119.914 -0.251 0.000 2.407 37 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 37 V C 2.633 178.585 176.094 -0.236 0.000 1.055 37 V CA 1.067 63.223 62.300 -0.241 0.000 1.049 37 V CB -0.633 30.998 31.823 -0.319 0.000 0.662 37 V HN 0.155 nan 8.190 nan 0.000 0.455 38 V N 1.223 120.987 119.914 -0.250 0.000 2.214 38 V HA -0.238 3.881 4.120 -0.000 0.000 0.244 38 V C 2.740 178.742 176.094 -0.152 0.000 1.045 38 V CA 2.535 64.714 62.300 -0.202 0.000 0.993 38 V CB -1.649 30.070 31.823 -0.173 0.000 0.633 38 V HN 0.572 nan 8.190 nan 0.000 0.449 39 G N -0.810 107.918 108.800 -0.120 0.000 2.469 39 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.220 39 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.220 39 G C 1.675 176.518 174.900 -0.095 0.000 1.136 39 G CA 1.285 46.331 45.100 -0.090 0.000 0.759 39 G HN 0.457 nan 8.290 nan 0.000 0.562 40 L N 0.053 121.210 121.223 -0.111 0.000 2.083 40 L HA -0.030 4.309 4.340 -0.000 0.000 0.209 40 L C 2.619 179.425 176.870 -0.107 0.000 1.083 40 L CA 0.878 55.656 54.840 -0.103 0.000 0.752 40 L CB -0.119 41.873 42.059 -0.113 0.000 0.899 40 L HN 0.094 nan 8.230 nan 0.000 0.433 41 I N -0.446 120.047 120.570 -0.129 0.000 2.233 41 I HA -0.229 3.940 4.170 -0.000 0.000 0.243 41 I C 2.696 178.744 176.117 -0.114 0.000 1.093 41 I CA 1.905 63.126 61.300 -0.133 0.000 1.380 41 I CB -1.778 36.120 38.000 -0.170 0.000 1.067 41 I HN 0.373 nan 8.210 nan 0.000 0.413 42 T N 0.290 114.775 114.554 -0.115 0.000 2.929 42 T HA -0.066 4.283 4.350 -0.000 0.000 0.271 42 T C 1.930 176.579 174.700 -0.085 0.000 1.085 42 T CA 1.488 63.526 62.100 -0.102 0.000 1.125 42 T CB -0.535 68.272 68.868 -0.102 0.000 0.874 42 T HN 0.386 nan 8.240 nan 0.000 0.494 43 G N 0.924 109.675 108.800 -0.080 0.000 2.414 43 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.215 43 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.215 43 G C 1.678 176.542 174.900 -0.060 0.000 1.188 43 G CA 0.985 46.045 45.100 -0.068 0.000 0.783 43 G HN 0.479 nan 8.290 nan 0.000 0.537 44 V N 1.028 120.903 119.914 -0.064 0.000 2.332 44 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 44 V C 2.865 178.934 176.094 -0.042 0.000 1.055 44 V CA 1.140 63.407 62.300 -0.055 0.000 1.038 44 V CB -0.393 31.391 31.823 -0.064 0.000 0.651 44 V HN 0.209 nan 8.190 nan 0.000 0.450 45 L N 0.432 121.625 121.223 -0.049 0.000 2.044 45 L HA -0.022 4.318 4.340 -0.000 0.000 0.205 45 L C 2.673 179.552 176.870 0.014 0.000 1.075 45 L CA 2.391 57.214 54.840 -0.030 0.000 0.747 45 L CB -2.023 39.996 42.059 -0.067 0.000 0.903 45 L HN 0.445 nan 8.230 nan 0.000 0.435 46 G N -0.529 108.261 108.800 -0.017 0.000 2.418 46 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 46 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 46 G C 1.734 176.652 174.900 0.030 0.000 1.158 46 G CA 1.017 46.123 45.100 0.011 0.000 0.771 46 G HN 0.483 nan 8.290 nan 0.000 0.545 47 A N 0.832 123.640 122.820 -0.021 0.000 1.872 47 A HA 0.239 4.559 4.320 -0.000 0.000 0.214 47 A C 2.732 180.296 177.584 -0.033 0.000 1.187 47 A CA 1.909 53.915 52.037 -0.052 0.000 0.614 47 A CB -1.113 17.855 19.000 -0.054 0.000 0.826 47 A HN 0.556 nan 8.150 nan 0.000 0.442 48 G N -1.513 107.286 108.800 -0.001 0.000 2.479 48 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 48 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 48 G C 1.349 176.284 174.900 0.058 0.000 1.115 48 G CA 1.177 46.280 45.100 0.006 0.000 0.757 48 G HN 0.456 nan 8.290 nan 0.000 0.560 49 F N 1.221 121.137 119.950 -0.056 0.000 2.118 49 F HA 0.187 4.714 4.527 -0.000 0.000 0.293 49 F C 2.601 178.414 175.800 0.021 0.000 1.102 49 F CA 1.308 59.311 58.000 0.005 0.000 1.247 49 F CB -0.237 38.784 39.000 0.034 0.000 1.017 49 F HN -0.008 nan 8.300 nan 0.000 0.475 50 K N 0.038 120.289 120.400 -0.250 0.000 2.020 50 K HA -0.172 4.148 4.320 -0.000 0.000 0.212 50 K C 2.226 178.651 176.600 -0.291 0.000 1.050 50 K CA 1.946 57.857 56.287 -0.627 0.000 0.929 50 K CB -0.635 31.372 32.500 -0.820 0.000 0.714 50 K HN 0.204 nan 8.250 nan 0.000 0.443 51 S N 0.826 116.422 115.700 -0.174 0.000 2.370 51 S HA -0.163 4.307 4.470 -0.000 0.000 0.226 51 S C 2.095 176.669 174.600 -0.043 0.000 1.033 51 S CA 1.310 59.460 58.200 -0.084 0.000 1.011 51 S CB -0.236 62.927 63.200 -0.062 0.000 0.852 51 S HN 0.455 nan 8.310 nan 0.000 0.457 52 A N 0.658 123.445 122.820 -0.055 0.000 2.015 52 A HA 0.019 4.339 4.320 -0.000 0.000 0.219 52 A C 2.227 179.872 177.584 0.102 0.000 1.163 52 A CA 1.094 53.117 52.037 -0.023 0.000 0.646 52 A CB -0.493 18.452 19.000 -0.091 0.000 0.806 52 A HN 0.363 nan 8.150 nan 0.000 0.448 53 V N 0.513 120.446 119.914 0.032 0.000 2.379 53 V HA -0.145 3.975 4.120 -0.000 0.000 0.243 53 V C 2.052 178.207 176.094 0.102 0.000 1.035 53 V CA 1.717 64.066 62.300 0.082 0.000 1.035 53 V CB -0.768 31.074 31.823 0.031 0.000 0.673 53 V HN 0.514 nan 8.190 nan 0.000 0.457 54 N N 0.993 119.755 118.700 0.103 0.000 2.289 54 N HA -0.124 4.615 4.740 -0.000 0.000 0.184 54 N C 1.588 177.154 175.510 0.093 0.000 1.016 54 N CA 0.974 54.086 53.050 0.103 0.000 0.872 54 N CB -0.474 38.059 38.487 0.077 0.000 0.973 54 N HN 0.448 nan 8.380 nan 0.000 0.433 55 N N 0.521 119.274 118.700 0.088 0.000 2.188 55 N HA -0.090 4.650 4.740 -0.000 0.000 0.184 55 N C 1.596 177.200 175.510 0.157 0.000 1.018 55 N CA 0.620 53.731 53.050 0.103 0.000 0.858 55 N CB -0.127 38.397 38.487 0.062 0.000 0.989 55 N HN 0.204 nan 8.380 nan 0.000 0.426 56 M N 0.492 120.184 119.600 0.153 0.000 2.349 56 M HA 0.131 4.611 4.480 -0.000 0.000 0.266 56 M C 1.702 178.100 176.300 0.165 0.000 1.076 56 M CA 0.797 56.193 55.300 0.160 0.000 1.126 56 M CB -0.133 32.506 32.600 0.066 0.000 1.392 56 M HN 0.003 nan 8.290 nan 0.000 0.440 57 L N -0.243 121.041 121.223 0.102 0.000 2.027 57 L HA -0.235 4.104 4.340 -0.000 0.000 0.206 57 L C 2.499 179.421 176.870 0.086 0.000 1.074 57 L CA 1.859 56.739 54.840 0.067 0.000 0.745 57 L CB -0.828 41.261 42.059 0.050 0.000 0.898 57 L HN 0.470 nan 8.230 nan 0.000 0.433 58 Q N -1.306 118.562 119.800 0.113 0.000 2.311 58 Q HA -0.226 4.113 4.340 -0.000 0.000 0.203 58 Q C 2.065 178.138 176.000 0.122 0.000 0.954 58 Q CA 1.031 56.891 55.803 0.094 0.000 0.885 58 Q CB -0.571 28.220 28.738 0.089 0.000 0.963 58 Q HN 0.527 nan 8.270 nan 0.000 0.471 59 W N 2.045 123.348 121.300 0.005 0.000 2.381 59 W HA 0.003 4.662 4.660 -0.000 0.000 0.301 59 W C 1.976 178.491 176.519 -0.006 0.000 1.205 59 W CA 1.425 58.774 57.345 0.007 0.000 1.285 59 W CB 0.189 29.661 29.460 0.020 0.000 1.133 59 W HN -0.041 nan 8.180 nan 0.000 0.521 60 R N -0.528 120.030 120.500 0.097 0.000 2.090 60 R HA -0.118 4.222 4.340 -0.000 0.000 0.228 60 R C 2.537 178.736 176.300 -0.170 0.000 1.110 60 R CA 1.513 57.550 56.100 -0.104 0.000 0.973 60 R CB -0.980 29.339 30.300 0.032 0.000 0.869 60 R HN 0.095 nan 8.270 nan 0.000 0.440 61 S N 0.653 116.298 115.700 -0.091 0.000 2.423 61 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 61 S C 1.793 176.326 174.600 -0.111 0.000 1.014 61 S CA 1.165 59.312 58.200 -0.089 0.000 0.965 61 S CB 0.102 63.277 63.200 -0.042 0.000 0.785 61 S HN 0.318 nan 8.310 nan 0.000 0.495 62 Q N -0.014 119.698 119.800 -0.146 0.000 2.212 62 Q HA 0.149 4.489 4.340 -0.000 0.000 0.199 62 Q C 2.143 178.004 176.000 -0.231 0.000 0.950 62 Q CA 0.719 56.428 55.803 -0.157 0.000 0.863 62 Q CB -0.150 28.505 28.738 -0.137 0.000 0.944 62 Q HN 0.468 nan 8.270 nan 0.000 0.465 63 L N 0.275 121.269 121.223 -0.382 0.000 2.201 63 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 63 L C 2.150 178.884 176.870 -0.227 0.000 1.105 63 L CA 0.690 55.291 54.840 -0.397 0.000 0.775 63 L CB -0.205 41.466 42.059 -0.646 0.000 0.913 63 L HN 0.204 nan 8.230 nan 0.000 0.440 64 A N -0.981 121.727 122.820 -0.187 0.000 1.968 64 A HA -0.198 4.121 4.320 -0.000 0.000 0.217 64 A C 2.052 179.593 177.584 -0.071 0.000 1.169 64 A CA 1.131 53.095 52.037 -0.120 0.000 0.638 64 A CB -0.216 18.709 19.000 -0.126 0.000 0.812 64 A HN 0.539 nan 8.150 nan 0.000 0.446 65 Q N -0.896 118.859 119.800 -0.074 0.000 2.398 65 Q HA 0.206 4.546 4.340 -0.000 0.000 0.204 65 Q C 1.658 177.636 176.000 -0.037 0.000 0.932 65 Q CA 0.375 56.155 55.803 -0.039 0.000 0.916 65 Q CB 0.039 28.758 28.738 -0.032 0.000 1.024 65 Q HN 0.715 nan 8.270 nan 0.000 0.504 66 I N 0.160 120.691 120.570 -0.064 0.000 2.500 66 I HA -0.184 3.986 4.170 -0.000 0.000 0.252 66 I C 1.536 177.632 176.117 -0.034 0.000 1.142 66 I CA 1.078 62.346 61.300 -0.054 0.000 1.451 66 I CB 0.197 38.147 38.000 -0.083 0.000 1.093 66 I HN 0.174 nan 8.210 nan 0.000 0.430 67 L N -0.048 121.154 121.223 -0.034 0.000 2.693 67 L HA 0.269 4.608 4.340 -0.000 0.000 0.235 67 L C 2.427 179.309 176.870 0.021 0.000 1.127 67 L CA -0.067 54.768 54.840 -0.008 0.000 0.914 67 L CB -0.133 41.919 42.059 -0.012 0.000 1.193 67 L HN 0.087 nan 8.230 nan 0.000 0.502 68 A N 1.549 124.382 122.820 0.020 0.000 1.902 68 A HA -0.082 4.237 4.320 -0.000 0.000 0.217 68 A C 0.118 177.733 177.584 0.053 0.000 1.181 68 A CA 1.363 53.431 52.037 0.052 0.000 0.623 68 A CB -1.590 17.435 19.000 0.041 0.000 0.818 68 A HN 0.274 nan 8.150 nan 0.000 0.443 69 P HA -0.095 nan 4.420 nan 0.000 0.216 69 P C 0.486 177.802 177.300 0.026 0.000 1.157 69 P CA 1.318 64.434 63.100 0.026 0.000 0.880 69 P CB 0.127 31.836 31.700 0.016 0.000 0.791 70 I N -1.496 119.089 120.570 0.024 0.000 2.611 70 I HA 0.322 4.491 4.170 -0.000 0.000 0.287 70 I C -2.828 173.301 176.117 0.021 0.000 1.184 70 I CA -2.320 58.991 61.300 0.018 0.000 1.054 70 I CB 2.768 40.774 38.000 0.010 0.000 1.257 70 I HN -0.159 nan 8.210 nan 0.000 0.435 71 P HA 0.560 nan 4.420 nan 0.000 0.285 71 P C -2.626 174.696 177.300 0.037 0.000 1.298 71 P CA -0.017 63.090 63.100 0.012 0.000 0.787 71 P CB -0.273 31.416 31.700 -0.019 0.000 2.028 72 P HA 0.235 nan 4.420 nan 0.000 0.220 72 P C 0.866 178.241 177.300 0.124 0.000 1.793 72 P CA 0.058 63.170 63.100 0.020 0.000 0.917 72 P CB -0.349 31.061 31.700 -0.483 0.000 1.755 73 L N 0.039 121.324 121.223 0.104 0.000 2.313 73 L HA 0.036 4.376 4.340 -0.000 0.000 0.214 73 L C 2.160 179.099 176.870 0.115 0.000 1.119 73 L CA 0.868 55.762 54.840 0.089 0.000 0.809 73 L CB -0.170 41.919 42.059 0.049 0.000 0.933 73 L HN 0.036 nan 8.230 nan 0.000 0.449 74 A N -1.080 121.827 122.820 0.145 0.000 2.066 74 A HA -0.173 4.146 4.320 -0.000 0.000 0.218 74 A C 1.666 179.316 177.584 0.109 0.000 1.157 74 A CA 0.714 52.806 52.037 0.092 0.000 0.670 74 A CB -0.779 18.256 19.000 0.059 0.000 0.804 74 A HN 0.632 nan 8.150 nan 0.000 0.453 75 W N -0.662 120.619 121.300 -0.032 0.000 2.374 75 W HA -0.051 4.609 4.660 -0.000 0.000 0.288 75 W C 1.928 178.426 176.519 -0.035 0.000 1.218 75 W CA 1.368 58.690 57.345 -0.038 0.000 1.245 75 W CB -0.381 29.066 29.460 -0.021 0.000 1.126 75 W HN 0.382 nan 8.180 nan 0.000 0.545 76 L N -0.795 120.549 121.223 0.202 0.000 2.127 76 L HA -0.043 4.297 4.340 -0.000 0.000 0.203 76 L C 2.111 179.021 176.870 0.067 0.000 1.080 76 L CA 1.511 56.423 54.840 0.120 0.000 0.768 76 L CB -1.066 41.054 42.059 0.103 0.000 0.924 76 L HN -0.203 nan 8.230 nan 0.000 0.444 77 V N -0.068 119.876 119.914 0.049 0.000 2.295 77 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 77 V C 2.674 178.760 176.094 -0.012 0.000 1.049 77 V CA 2.215 64.528 62.300 0.021 0.000 1.024 77 V CB -1.369 30.456 31.823 0.004 0.000 0.648 77 V HN 0.743 nan 8.190 nan 0.000 0.447 78 T N -1.499 113.024 114.554 -0.051 0.000 3.007 78 T HA 0.002 4.352 4.350 -0.000 0.000 0.270 78 T C 1.767 176.401 174.700 -0.109 0.000 1.107 78 T CA 1.234 63.276 62.100 -0.095 0.000 1.118 78 T CB -0.201 68.573 68.868 -0.156 0.000 0.889 78 T HN 0.446 nan 8.240 nan 0.000 0.506 79 A N 1.511 124.278 122.820 -0.089 0.000 1.898 79 A HA 0.334 4.654 4.320 -0.000 0.000 0.214 79 A C 2.342 179.834 177.584 -0.153 0.000 1.183 79 A CA 0.703 52.670 52.037 -0.116 0.000 0.622 79 A CB -0.708 18.262 19.000 -0.051 0.000 0.824 79 A HN 0.494 nan 8.150 nan 0.000 0.444 80 L N -0.357 120.836 121.223 -0.050 0.000 2.083 80 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 80 L C 2.446 179.290 176.870 -0.043 0.000 1.083 80 L CA 1.138 55.977 54.840 -0.001 0.000 0.752 80 L CB -0.476 41.647 42.059 0.107 0.000 0.899 80 L HN 0.382 nan 8.230 nan 0.000 0.433 81 I N -1.078 119.478 120.570 -0.024 0.000 2.162 81 I HA -0.234 3.935 4.170 -0.000 0.000 0.238 81 I C 2.571 178.658 176.117 -0.051 0.000 1.076 81 I CA 1.190 62.494 61.300 0.007 0.000 1.353 81 I CB -0.259 37.781 38.000 0.065 0.000 1.063 81 I HN 0.118 nan 8.210 nan 0.000 0.408 82 S N 0.696 116.339 115.700 -0.095 0.000 2.402 82 S HA -0.083 4.387 4.470 -0.000 0.000 0.229 82 S C 2.007 176.504 174.600 -0.172 0.000 1.021 82 S CA 1.231 59.357 58.200 -0.122 0.000 0.974 82 S CB -0.470 62.651 63.200 -0.131 0.000 0.800 82 S HN 0.644 nan 8.310 nan 0.000 0.484 83 G N 1.136 109.755 108.800 -0.302 0.000 2.394 83 G HA2 0.015 3.975 3.960 -0.000 0.000 0.215 83 G HA3 0.015 3.975 3.960 -0.000 0.000 0.215 83 G C 1.377 176.051 174.900 -0.378 0.000 1.165 83 G CA 0.717 45.492 45.100 -0.543 0.000 0.784 83 G HN 0.549 nan 8.290 nan 0.000 0.535 84 G N 0.296 108.973 108.800 -0.205 0.000 2.534 84 G HA2 -0.026 3.933 3.960 -0.000 0.000 0.217 84 G HA3 -0.026 3.933 3.960 -0.000 0.000 0.217 84 G C 1.773 176.702 174.900 0.049 0.000 1.128 84 G CA 0.575 45.709 45.100 0.057 0.000 0.784 84 G HN 0.411 nan 8.290 nan 0.000 0.542 85 M N -0.090 119.503 119.600 -0.012 0.000 2.191 85 M HA 0.034 4.514 4.480 -0.000 0.000 0.262 85 M C 2.615 178.922 176.300 0.011 0.000 1.083 85 M CA 0.776 56.063 55.300 -0.021 0.000 1.154 85 M CB -0.125 32.420 32.600 -0.092 0.000 1.344 85 M HN 0.057 nan 8.290 nan 0.000 0.431 86 V N 0.559 120.482 119.914 0.016 0.000 2.407 86 V HA -0.211 3.908 4.120 -0.000 0.000 0.248 86 V C 2.585 178.838 176.094 0.265 0.000 1.055 86 V CA 1.894 64.248 62.300 0.090 0.000 1.049 86 V CB -1.273 30.616 31.823 0.110 0.000 0.662 86 V HN 0.497 nan 8.190 nan 0.000 0.455 87 A N -0.584 122.386 122.820 0.250 0.000 1.930 87 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 87 A C 2.218 179.989 177.584 0.312 0.000 1.175 87 A CA 1.610 53.847 52.037 0.334 0.000 0.627 87 A CB -0.437 18.777 19.000 0.357 0.000 0.815 87 A HN 0.488 nan 8.150 nan 0.000 0.443 88 L N -0.788 120.563 121.223 0.214 0.000 2.217 88 L HA -0.073 4.267 4.340 -0.000 0.000 0.211 88 L C 2.756 179.775 176.870 0.248 0.000 1.107 88 L CA 1.259 56.223 54.840 0.207 0.000 0.783 88 L CB -0.084 42.041 42.059 0.109 0.000 0.919 88 L HN 0.477 nan 8.230 nan 0.000 0.442 89 S N -0.686 115.106 115.700 0.155 0.000 2.371 89 S HA -0.145 4.325 4.470 -0.000 0.000 0.224 89 S C 1.820 176.429 174.600 0.016 0.000 1.029 89 S CA 1.042 59.262 58.200 0.034 0.000 0.978 89 S CB -0.288 62.845 63.200 -0.111 0.000 0.833 89 S HN 0.410 nan 8.310 nan 0.000 0.466 90 F N -0.027 120.000 119.950 0.129 0.000 2.234 90 F HA 0.086 4.613 4.527 -0.000 0.000 0.299 90 F C 1.890 177.784 175.800 0.157 0.000 1.087 90 F CA 0.900 58.966 58.000 0.111 0.000 1.340 90 F CB -0.521 38.538 39.000 0.098 0.000 1.031 90 F HN 0.397 nan 8.300 nan 0.000 0.500 91 W N 0.455 121.883 121.300 0.213 0.000 2.418 91 W HA -0.078 4.582 4.660 -0.000 0.000 0.292 91 W C 1.630 178.251 176.519 0.169 0.000 1.213 91 W CA 1.394 58.834 57.345 0.158 0.000 1.283 91 W CB -0.221 29.314 29.460 0.125 0.000 1.119 91 W HN -0.115 nan 8.180 nan 0.000 0.542 92 L N 0.401 121.807 121.223 0.304 0.000 2.478 92 L HA -0.105 4.235 4.340 -0.000 0.000 0.223 92 L C 2.319 179.217 176.870 0.047 0.000 1.140 92 L CA 0.498 55.403 54.840 0.110 0.000 0.842 92 L CB -0.493 41.622 42.059 0.094 0.000 0.953 92 L HN 0.144 nan 8.230 nan 0.000 0.452 93 M N 0.206 119.836 119.600 0.050 0.000 2.160 93 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 93 M C 0.456 176.771 176.300 0.026 0.000 1.073 93 M CA 1.507 56.826 55.300 0.031 0.000 1.142 93 M CB 0.459 33.073 32.600 0.024 0.000 1.358 93 M HN 0.052 nan 8.290 nan 0.000 0.422 94 K N -0.243 120.145 120.400 -0.021 0.000 2.513 94 K HA 0.422 4.742 4.320 -0.000 0.000 0.251 94 K C -1.134 175.312 176.600 -0.257 0.000 0.939 94 K CA -0.932 55.298 56.287 -0.095 0.000 0.793 94 K CB 1.774 34.243 32.500 -0.052 0.000 1.241 94 K HN -0.157 nan 8.250 nan 0.000 0.431 95 R N 3.044 123.324 120.500 -0.366 0.000 2.196 95 R HA 0.370 4.710 4.340 -0.000 0.000 0.340 95 R C -0.951 175.111 176.300 -0.396 0.000 1.043 95 R CA -0.274 55.639 56.100 -0.313 0.000 0.883 95 R CB -0.030 30.070 30.300 -0.333 0.000 1.078 95 R HN 0.914 nan 8.270 nan 0.000 0.462 96 F N 0.028 119.866 119.950 -0.187 0.000 1.798 96 F HA 0.227 4.754 4.527 -0.000 0.000 0.311 96 F C -0.384 175.357 175.800 -0.099 0.000 1.089 96 F CA 0.197 58.109 58.000 -0.146 0.000 1.238 96 F CB 0.417 39.323 39.000 -0.156 0.000 1.668 96 F HN 0.496 nan 8.300 nan 0.000 0.415 97 A N 0.304 123.198 122.820 0.123 0.000 2.913 97 A HA 0.546 4.866 4.320 -0.000 0.000 0.284 97 A C -2.486 175.113 177.584 0.025 0.000 1.273 97 A CA -0.542 51.526 52.037 0.052 0.000 0.899 97 A CB -0.120 18.910 19.000 0.050 0.000 1.444 97 A HN 0.003 nan 8.150 nan 0.000 0.586 98 P HA -0.079 nan 4.420 nan 0.000 0.236 98 P C 0.712 178.019 177.300 0.010 0.000 1.172 98 P CA 1.144 64.249 63.100 0.009 0.000 0.759 98 P CB 0.321 32.022 31.700 0.002 0.000 0.843 99 D N -0.962 119.445 120.400 0.012 0.000 2.317 99 D HA -0.081 4.559 4.640 -0.000 0.000 0.211 99 D C 1.451 177.761 176.300 0.017 0.000 0.966 99 D CA 1.082 55.093 54.000 0.017 0.000 0.876 99 D CB -0.388 40.422 40.800 0.016 0.000 0.927 99 D HN 0.127 nan 8.370 nan 0.000 0.519 100 T N -2.918 111.640 114.554 0.006 0.000 3.129 100 T HA 0.114 4.464 4.350 -0.000 0.000 0.251 100 T C 0.922 175.616 174.700 -0.010 0.000 1.117 100 T CA -0.353 61.746 62.100 -0.002 0.000 1.034 100 T CB -0.104 68.754 68.868 -0.017 0.000 0.968 100 T HN -0.069 nan 8.240 nan 0.000 0.526 101 S N 0.571 116.265 115.700 -0.011 0.000 2.549 101 S HA 0.524 4.993 4.470 -0.000 0.000 0.279 101 S C 1.272 175.862 174.600 -0.017 0.000 1.321 101 S CA 0.563 58.741 58.200 -0.037 0.000 1.054 101 S CB -0.467 62.718 63.200 -0.026 0.000 0.899 101 S HN 1.180 nan 8.310 nan 0.000 0.497 102 G N 3.595 112.364 108.800 -0.052 0.000 2.509 102 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.256 102 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.256 102 G C 0.717 175.802 174.900 0.309 0.000 1.152 102 G CA 0.302 45.431 45.100 0.048 0.000 0.951 102 G HN 1.162 nan 8.290 nan 0.000 0.559 103 S N -0.711 115.256 115.700 0.445 0.000 2.118 103 S HA 0.535 5.005 4.470 -0.000 0.000 0.175 103 S C 1.746 176.470 174.600 0.207 0.000 1.365 103 S CA 1.856 60.261 58.200 0.341 0.000 1.837 103 S CB 0.263 63.713 63.200 0.416 0.000 0.537 103 S HN 2.394 nan 8.310 nan 0.000 0.374 104 G N -0.915 107.996 108.800 0.186 0.000 3.842 104 G HA2 0.106 4.066 3.960 -0.000 0.000 0.153 104 G HA3 0.106 4.066 3.960 -0.000 0.000 0.153 104 G C 0.760 175.697 174.900 0.061 0.000 1.165 104 G CA 0.230 45.388 45.100 0.096 0.000 0.819 104 G HN 0.444 nan 8.290 nan 0.000 0.717 105 I N 2.036 122.630 120.570 0.041 0.000 2.202 105 I HA 0.059 4.228 4.170 -0.000 0.000 0.242 105 I C -0.183 175.932 176.117 -0.004 0.000 1.091 105 I CA 1.141 62.373 61.300 -0.113 0.000 1.368 105 I CB -0.732 36.889 38.000 -0.632 0.000 1.058 105 I HN 0.064 nan 8.210 nan 0.000 0.410 106 P HA -0.173 nan 4.420 nan 0.000 0.214 106 P C 1.659 179.026 177.300 0.111 0.000 1.163 106 P CA 1.391 64.590 63.100 0.164 0.000 0.883 106 P CB -0.013 31.827 31.700 0.233 0.000 0.788 107 Q N -0.947 118.916 119.800 0.104 0.000 2.061 107 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 107 Q C 2.024 178.076 176.000 0.087 0.000 0.984 107 Q CA 1.533 57.388 55.803 0.087 0.000 0.846 107 Q CB -1.069 27.710 28.738 0.068 0.000 0.902 107 Q HN 0.194 nan 8.270 nan 0.000 0.421 108 I N 0.185 120.793 120.570 0.064 0.000 2.500 108 I HA -0.160 4.010 4.170 -0.000 0.000 0.252 108 I C 2.116 178.279 176.117 0.075 0.000 1.142 108 I CA 1.088 62.428 61.300 0.065 0.000 1.451 108 I CB -0.324 37.692 38.000 0.027 0.000 1.093 108 I HN 0.261 nan 8.210 nan 0.000 0.430 109 E N 0.264 120.495 120.200 0.051 0.000 2.204 109 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 109 E C 2.272 178.899 176.600 0.046 0.000 0.989 109 E CA 1.096 57.519 56.400 0.038 0.000 0.824 109 E CB -0.154 29.569 29.700 0.038 0.000 0.756 109 E HN 0.512 nan 8.360 nan 0.000 0.477 110 G N -0.742 108.101 108.800 0.072 0.000 2.417 110 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.212 110 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.212 110 G C 1.349 176.287 174.900 0.065 0.000 1.187 110 G CA 0.727 45.864 45.100 0.063 0.000 0.804 110 G HN 0.366 nan 8.290 nan 0.000 0.534 111 H N -0.211 118.868 119.070 0.015 0.000 2.422 111 H HA 0.036 4.592 4.556 -0.000 0.000 0.298 111 H C 2.198 177.528 175.328 0.004 0.000 1.098 111 H CA 1.100 57.157 56.048 0.016 0.000 1.315 111 H CB -0.039 29.741 29.762 0.029 0.000 1.382 111 H HN 0.234 nan 8.280 nan 0.000 0.523 112 L N 0.183 121.454 121.223 0.080 0.000 2.395 112 L HA 0.017 4.357 4.340 -0.000 0.000 0.218 112 L C 1.965 178.781 176.870 -0.091 0.000 1.130 112 L CA 1.491 56.331 54.840 0.001 0.000 0.826 112 L CB -0.076 41.983 42.059 -0.001 0.000 0.941 112 L HN 0.430 nan 8.230 nan 0.000 0.451 113 E N -2.547 117.607 120.200 -0.076 0.000 2.490 113 E HA 0.212 4.562 4.350 -0.000 0.000 0.209 113 E C 1.294 177.846 176.600 -0.080 0.000 0.971 113 E CA 0.625 56.976 56.400 -0.081 0.000 0.988 113 E CB 0.477 30.147 29.700 -0.050 0.000 1.029 113 E HN 0.366 nan 8.360 nan 0.000 0.496 114 G N 1.070 109.810 108.800 -0.099 0.000 3.736 114 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.196 114 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.196 114 G C -0.605 174.249 174.900 -0.076 0.000 1.811 114 G CA -0.275 44.767 45.100 -0.097 0.000 1.175 114 G HN 0.131 nan 8.290 nan 0.000 0.429 115 K N 1.137 121.517 120.400 -0.032 0.000 2.319 115 K HA 0.739 5.059 4.320 -0.000 0.000 0.265 115 K C 0.554 177.167 176.600 0.021 0.000 1.000 115 K CA -0.092 56.192 56.287 -0.005 0.000 0.943 115 K CB 0.838 33.343 32.500 0.008 0.000 0.950 115 K HN 1.097 nan 8.250 nan 0.000 0.485 116 L N 0.166 121.411 121.223 0.037 0.000 1.216 116 L HA -0.153 4.186 4.340 -0.000 0.000 0.393 116 L C -2.334 174.617 176.870 0.134 0.000 1.003 116 L CA -0.715 54.168 54.840 0.071 0.000 1.226 116 L CB -0.233 41.873 42.059 0.079 0.000 0.676 116 L HN 0.707 nan 8.230 nan 0.000 0.362 117 P HA 0.481 nan 4.420 nan 0.000 0.281 117 P C -1.394 176.015 177.300 0.181 0.000 1.264 117 P CA -0.649 62.574 63.100 0.205 0.000 0.824 117 P CB 1.787 33.547 31.700 0.100 0.000 1.092 118 L N 2.178 123.480 121.223 0.131 0.000 2.439 118 L HA 0.456 4.796 4.340 -0.000 0.000 0.270 118 L C -1.192 175.656 176.870 -0.035 0.000 0.972 118 L CA -0.820 53.966 54.840 -0.090 0.000 0.836 118 L CB 1.676 43.422 42.059 -0.522 0.000 1.255 118 L HN 0.206 nan 8.230 nan 0.000 0.404 119 V N 2.644 122.545 119.914 -0.022 0.000 2.443 119 V HA 0.400 4.520 4.120 -0.000 0.000 0.293 119 V C 0.420 176.494 176.094 -0.033 0.000 1.021 119 V CA -0.518 61.748 62.300 -0.058 0.000 0.848 119 V CB 0.798 32.553 31.823 -0.115 0.000 0.998 119 V HN 1.046 nan 8.190 nan 0.000 0.424 120 W N 4.732 126.014 121.300 -0.031 0.000 2.418 120 W HA -0.033 4.627 4.660 -0.000 0.000 0.292 120 W C 1.801 178.308 176.519 -0.020 0.000 1.213 120 W CA 1.552 58.876 57.345 -0.035 0.000 1.283 120 W CB -0.463 28.977 29.460 -0.033 0.000 1.119 120 W HN 0.632 nan 8.180 nan 0.000 0.542 121 Q N 1.013 120.445 119.800 -0.613 0.000 2.439 121 Q HA -0.066 4.274 4.340 -0.000 0.000 0.211 121 Q C 1.641 177.573 176.000 -0.112 0.000 0.978 121 Q CA 1.395 56.990 55.803 -0.345 0.000 0.897 121 Q CB -0.562 27.880 28.738 -0.494 0.000 0.956 121 Q HN 0.553 nan 8.270 nan 0.000 0.483 122 R N -0.263 120.188 120.500 -0.083 0.000 2.194 122 R HA 0.160 4.500 4.340 -0.000 0.000 0.194 122 R C 2.350 178.655 176.300 0.008 0.000 0.985 122 R CA 0.553 56.647 56.100 -0.012 0.000 1.104 122 R CB 0.284 30.580 30.300 -0.006 0.000 1.092 122 R HN 0.037 nan 8.270 nan 0.000 0.555 123 V N 2.299 122.221 119.914 0.014 0.000 2.307 123 V HA -0.221 3.898 4.120 -0.000 0.000 0.245 123 V C 2.388 178.490 176.094 0.012 0.000 1.045 123 V CA 1.387 63.696 62.300 0.015 0.000 1.024 123 V CB -0.454 31.381 31.823 0.022 0.000 0.651 123 V HN 0.277 nan 8.190 nan 0.000 0.449 124 L N 1.483 122.738 121.223 0.053 0.000 1.971 124 L HA -0.094 4.246 4.340 -0.000 0.000 0.215 124 L C 0.250 177.117 176.870 -0.005 0.000 1.072 124 L CA 2.872 57.733 54.840 0.036 0.000 0.758 124 L CB -2.212 39.917 42.059 0.118 0.000 0.889 124 L HN 0.329 nan 8.230 nan 0.000 0.433 125 P HA -0.084 nan 4.420 nan 0.000 0.225 125 P C 1.873 179.139 177.300 -0.056 0.000 1.156 125 P CA 1.013 64.098 63.100 -0.026 0.000 0.787 125 P CB 0.232 31.917 31.700 -0.023 0.000 0.802 126 I N 0.377 120.911 120.570 -0.059 0.000 2.494 126 I HA -0.043 4.126 4.170 -0.000 0.000 0.250 126 I C 2.405 178.495 176.117 -0.044 0.000 1.112 126 I CA 1.223 62.478 61.300 -0.076 0.000 1.438 126 I CB -0.852 37.107 38.000 -0.068 0.000 1.111 126 I HN -0.183 nan 8.210 nan 0.000 0.431 127 K N 0.916 121.288 120.400 -0.046 0.000 2.280 127 K HA -0.112 4.208 4.320 -0.000 0.000 0.202 127 K C 1.898 178.445 176.600 -0.088 0.000 1.047 127 K CA 1.395 57.645 56.287 -0.062 0.000 0.942 127 K CB -0.323 32.132 32.500 -0.076 0.000 0.739 127 K HN 0.332 nan 8.250 nan 0.000 0.457 128 L N -0.825 120.352 121.223 -0.077 0.000 2.062 128 L HA -0.023 4.316 4.340 -0.000 0.000 0.202 128 L C 1.783 178.735 176.870 0.136 0.000 1.079 128 L CA 0.711 55.516 54.840 -0.059 0.000 0.755 128 L CB -0.261 41.759 42.059 -0.066 0.000 0.913 128 L HN -0.053 nan 8.230 nan 0.000 0.445 129 V N 0.419 120.386 119.914 0.088 0.000 2.594 129 V HA -0.171 3.949 4.120 -0.000 0.000 0.253 129 V C 2.467 178.680 176.094 0.198 0.000 1.069 129 V CA 1.677 64.066 62.300 0.148 0.000 1.082 129 V CB -1.193 30.658 31.823 0.046 0.000 0.680 129 V HN 0.685 nan 8.190 nan 0.000 0.469 130 G N -0.004 108.858 108.800 0.104 0.000 2.411 130 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.213 130 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.213 130 G C 1.609 176.560 174.900 0.084 0.000 1.166 130 G CA 0.692 45.831 45.100 0.065 0.000 0.802 130 G HN 0.548 nan 8.290 nan 0.000 0.533 131 G N 0.574 109.459 108.800 0.142 0.000 2.422 131 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.218 131 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.218 131 G C 1.581 176.717 174.900 0.393 0.000 1.140 131 G CA 0.926 46.169 45.100 0.238 0.000 0.775 131 G HN 0.391 nan 8.290 nan 0.000 0.545 132 F N 1.114 121.260 119.950 0.327 0.000 2.186 132 F HA 0.127 4.654 4.527 -0.000 0.000 0.299 132 F C 2.217 178.046 175.800 0.049 0.000 1.090 132 F CA 0.958 59.065 58.000 0.180 0.000 1.307 132 F CB -0.166 38.938 39.000 0.173 0.000 1.019 132 F HN 0.044 nan 8.300 nan 0.000 0.489 133 L N -0.656 120.436 121.223 -0.218 0.000 2.156 133 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 133 L C 2.732 179.460 176.870 -0.237 0.000 1.095 133 L CA 1.229 55.871 54.840 -0.331 0.000 0.770 133 L CB -0.823 41.192 42.059 -0.073 0.000 0.914 133 L HN 0.291 nan 8.230 nan 0.000 0.439 134 S N 0.166 115.781 115.700 -0.142 0.000 2.329 134 S HA -0.098 4.372 4.470 -0.000 0.000 0.215 134 S C 1.864 176.377 174.600 -0.145 0.000 1.031 134 S CA 0.934 59.055 58.200 -0.131 0.000 0.985 134 S CB -0.087 63.043 63.200 -0.118 0.000 0.917 134 S HN 0.171 nan 8.310 nan 0.000 0.441 135 L N 1.746 122.887 121.223 -0.137 0.000 2.201 135 L HA 0.147 4.487 4.340 -0.000 0.000 0.212 135 L C 2.579 179.318 176.870 -0.219 0.000 1.105 135 L CA 1.570 56.293 54.840 -0.196 0.000 0.775 135 L CB -1.214 40.686 42.059 -0.266 0.000 0.913 135 L HN 0.486 nan 8.230 nan 0.000 0.440 136 G N -1.324 107.300 108.800 -0.293 0.000 2.534 136 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.217 136 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.217 136 G C 1.581 176.337 174.900 -0.239 0.000 1.128 136 G CA 0.665 45.560 45.100 -0.342 0.000 0.784 136 G HN 0.455 nan 8.290 nan 0.000 0.542 137 A N -0.642 122.052 122.820 -0.210 0.000 2.132 137 A HA 0.496 4.815 4.320 -0.000 0.000 0.213 137 A C 1.880 179.392 177.584 -0.119 0.000 1.154 137 A CA 1.371 53.320 52.037 -0.146 0.000 0.753 137 A CB -0.095 18.825 19.000 -0.132 0.000 0.826 137 A HN 1.454 nan 8.150 nan 0.000 0.469 138 G N -1.775 106.952 108.800 -0.122 0.000 2.143 138 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.175 138 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.175 138 G C 0.134 174.974 174.900 -0.099 0.000 1.004 138 G CA 0.016 45.052 45.100 -0.107 0.000 0.671 138 G HN 0.164 nan 8.290 nan 0.000 0.512 139 M N 0.402 119.945 119.600 -0.097 0.000 2.228 139 M HA 0.174 4.654 4.480 -0.000 0.000 0.303 139 M C 1.217 177.478 176.300 -0.065 0.000 1.099 139 M CA -0.082 55.177 55.300 -0.068 0.000 1.171 139 M CB -0.093 32.471 32.600 -0.060 0.000 1.412 139 M HN -0.034 nan 8.290 nan 0.000 0.447 140 L N 2.113 123.316 121.223 -0.033 0.000 2.416 140 L HA 0.316 4.656 4.340 -0.000 0.000 0.243 140 L C 0.099 176.964 176.870 -0.009 0.000 1.373 140 L CA 0.169 54.997 54.840 -0.021 0.000 1.227 140 L CB -2.094 39.965 42.059 -0.000 0.000 1.428 140 L HN 0.792 nan 8.230 nan 0.000 0.425 141 A N -0.028 122.761 122.820 -0.051 0.000 2.567 141 A HA 0.728 5.048 4.320 -0.000 0.000 0.291 141 A C 0.002 177.461 177.584 -0.210 0.000 1.048 141 A CA 0.106 52.111 52.037 -0.054 0.000 0.661 141 A CB 1.384 20.386 19.000 0.002 0.000 1.288 141 A HN 0.396 nan 8.150 nan 0.000 0.424 142 G N -0.590 108.032 108.800 -0.296 0.000 2.885 142 G HA2 0.316 4.276 3.960 -0.000 0.000 0.233 142 G HA3 0.316 4.276 3.960 -0.000 0.000 0.233 142 G C 0.114 175.032 174.900 0.030 0.000 2.964 142 G CA 0.166 45.245 45.100 -0.036 0.000 0.824 142 G HN 0.885 nan 8.290 nan 0.000 0.441 143 F N 1.719 121.768 119.950 0.167 0.000 2.115 143 F HA -0.176 4.351 4.527 -0.000 0.000 0.300 143 F C 2.810 178.644 175.800 0.056 0.000 1.092 143 F CA 1.900 60.007 58.000 0.180 0.000 1.245 143 F CB 0.063 39.137 39.000 0.123 0.000 0.995 143 F HN 0.488 nan 8.300 nan 0.000 0.481 144 E N 0.561 120.823 120.200 0.103 0.000 2.331 144 E HA -0.146 4.204 4.350 -0.000 0.000 0.199 144 E C 2.324 178.947 176.600 0.039 0.000 1.008 144 E CA 1.193 57.553 56.400 -0.066 0.000 0.843 144 E CB -1.345 28.248 29.700 -0.179 0.000 0.761 144 E HN 0.425 nan 8.360 nan 0.000 0.507 145 G N 2.393 111.261 108.800 0.113 0.000 2.575 145 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.215 145 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.215 145 G C -0.651 174.272 174.900 0.038 0.000 1.262 145 G CA 1.015 46.180 45.100 0.109 0.000 0.807 145 G HN 0.356 nan 8.290 nan 0.000 0.567 146 P HA -0.081 nan 4.420 nan 0.000 0.215 146 P C 2.379 179.560 177.300 -0.198 0.000 1.157 146 P CA 2.583 65.591 63.100 -0.155 0.000 0.863 146 P CB -0.423 31.057 31.700 -0.367 0.000 0.787 147 T N -2.891 111.575 114.554 -0.147 0.000 2.833 147 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 147 T C 1.863 176.496 174.700 -0.111 0.000 1.054 147 T CA 1.054 63.072 62.100 -0.137 0.000 1.135 147 T CB -1.268 67.560 68.868 -0.067 0.000 0.869 147 T HN 0.021 nan 8.240 nan 0.000 0.466 148 I N 0.703 121.221 120.570 -0.086 0.000 2.286 148 I HA -0.092 4.078 4.170 -0.000 0.000 0.245 148 I C 3.078 179.159 176.117 -0.059 0.000 1.104 148 I CA 1.278 62.534 61.300 -0.073 0.000 1.397 148 I CB -0.364 37.600 38.000 -0.059 0.000 1.072 148 I HN 0.314 nan 8.210 nan 0.000 0.417 149 Q N 0.479 120.248 119.800 -0.051 0.000 2.123 149 Q HA -0.133 4.207 4.340 -0.000 0.000 0.199 149 Q C 2.378 178.343 176.000 -0.059 0.000 0.966 149 Q CA 1.184 56.962 55.803 -0.041 0.000 0.845 149 Q CB 0.144 28.868 28.738 -0.024 0.000 0.907 149 Q HN 0.452 nan 8.270 nan 0.000 0.439 150 M N -0.871 118.673 119.600 -0.092 0.000 2.229 150 M HA -0.094 4.386 4.480 -0.000 0.000 0.264 150 M C 2.051 178.295 176.300 -0.094 0.000 1.063 150 M CA 1.388 56.628 55.300 -0.101 0.000 1.114 150 M CB -0.273 32.230 32.600 -0.161 0.000 1.387 150 M HN 0.326 nan 8.290 nan 0.000 0.420 151 G N -0.143 108.600 108.800 -0.095 0.000 2.402 151 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.216 151 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.216 151 G C 1.495 176.348 174.900 -0.078 0.000 1.162 151 G CA 0.911 45.957 45.100 -0.091 0.000 0.777 151 G HN 0.555 nan 8.290 nan 0.000 0.539 152 G N 0.558 109.322 108.800 -0.060 0.000 2.408 152 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.217 152 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.217 152 G C 2.097 176.964 174.900 -0.054 0.000 1.150 152 G CA 1.383 46.455 45.100 -0.047 0.000 0.776 152 G HN 0.419 nan 8.290 nan 0.000 0.542 153 S N 0.510 116.183 115.700 -0.045 0.000 2.355 153 S HA -0.017 4.452 4.470 -0.000 0.000 0.222 153 S C 2.260 176.797 174.600 -0.105 0.000 1.031 153 S CA 0.789 58.988 58.200 -0.002 0.000 0.993 153 S CB -0.204 63.026 63.200 0.050 0.000 0.859 153 S HN 0.374 nan 8.310 nan 0.000 0.453 154 I N 1.573 122.054 120.570 -0.147 0.000 2.286 154 I HA -0.129 4.041 4.170 -0.000 0.000 0.248 154 I C 2.659 178.630 176.117 -0.242 0.000 1.115 154 I CA 1.115 62.276 61.300 -0.232 0.000 1.392 154 I CB -0.803 37.084 38.000 -0.187 0.000 1.065 154 I HN 0.372 nan 8.210 nan 0.000 0.418 155 G N -0.240 108.462 108.800 -0.163 0.000 2.448 155 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.219 155 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.219 155 G C 1.580 176.402 174.900 -0.131 0.000 1.127 155 G CA 0.554 45.573 45.100 -0.136 0.000 0.766 155 G HN 0.431 nan 8.290 nan 0.000 0.552 156 Q N -0.870 118.848 119.800 -0.137 0.000 2.204 156 Q HA 0.150 4.490 4.340 -0.000 0.000 0.198 156 Q C 2.364 178.160 176.000 -0.339 0.000 0.946 156 Q CA 0.183 55.930 55.803 -0.093 0.000 0.859 156 Q CB -0.191 28.576 28.738 0.048 0.000 0.946 156 Q HN 0.418 nan 8.270 nan 0.000 0.474 157 M N 0.772 119.946 119.600 -0.710 0.000 2.159 157 M HA -0.115 4.365 4.480 -0.000 0.000 0.263 157 M C 1.663 177.572 176.300 -0.652 0.000 1.063 157 M CA 2.078 56.533 55.300 -1.409 0.000 1.110 157 M CB -0.244 31.491 32.600 -1.442 0.000 1.374 157 M HN 0.281 nan 8.290 nan 0.000 0.411 158 T N -3.623 110.705 114.554 -0.376 0.000 3.107 158 T HA 0.183 4.533 4.350 -0.000 0.000 0.249 158 T C 1.597 176.272 174.700 -0.042 0.000 1.096 158 T CA 0.541 62.541 62.100 -0.167 0.000 1.012 158 T CB -0.397 68.288 68.868 -0.305 0.000 0.977 158 T HN 0.452 nan 8.240 nan 0.000 0.527 159 G N 1.141 109.896 108.800 -0.075 0.000 2.453 159 G HA2 0.240 4.200 3.960 -0.000 0.000 0.215 159 G HA3 0.240 4.200 3.960 -0.000 0.000 0.215 159 G C 1.503 176.478 174.900 0.126 0.000 1.147 159 G CA 0.354 45.471 45.100 0.029 0.000 0.802 159 G HN 0.569 nan 8.290 nan 0.000 0.535 160 G N -0.341 108.525 108.800 0.109 0.000 2.453 160 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.215 160 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.215 160 G C 1.521 176.552 174.900 0.218 0.000 1.147 160 G CA 0.569 45.778 45.100 0.182 0.000 0.802 160 G HN 0.348 nan 8.290 nan 0.000 0.535 161 W N 0.652 121.993 121.300 0.068 0.000 2.363 161 W HA 0.015 4.675 4.660 -0.000 0.000 0.296 161 W C 1.072 177.690 176.519 0.165 0.000 1.212 161 W CA 0.526 57.939 57.345 0.114 0.000 1.260 161 W CB -0.176 29.358 29.460 0.122 0.000 1.131 161 W HN 0.208 nan 8.180 nan 0.000 0.530 162 F N 1.022 121.076 119.950 0.173 0.000 2.765 162 F HA 0.126 4.653 4.527 -0.000 0.000 0.302 162 F C 1.090 176.908 175.800 0.029 0.000 1.111 162 F CA 0.663 58.718 58.000 0.092 0.000 1.359 162 F CB -0.610 38.457 39.000 0.112 0.000 1.097 162 F HN -0.327 nan 8.300 nan 0.000 0.577 163 K N 0.298 120.795 120.400 0.161 0.000 3.156 163 K HA -0.200 4.120 4.320 -0.000 0.000 0.266 163 K C 0.226 176.898 176.600 0.119 0.000 0.966 163 K CA 0.527 56.870 56.287 0.095 0.000 0.719 163 K CB -1.517 30.993 32.500 0.017 0.000 1.333 163 K HN 0.273 nan 8.250 nan 0.000 0.468 164 A N 0.036 122.950 122.820 0.156 0.000 2.327 164 A HA 0.483 4.802 4.320 -0.000 0.000 0.255 164 A C 1.280 178.922 177.584 0.097 0.000 1.099 164 A CA 0.202 52.323 52.037 0.140 0.000 0.801 164 A CB 0.137 19.219 19.000 0.137 0.000 1.062 164 A HN 0.585 nan 8.150 nan 0.000 0.496 165 T N -1.698 112.903 114.554 0.078 0.000 2.885 165 T HA 0.098 4.448 4.350 -0.000 0.000 0.356 165 T C 1.095 175.831 174.700 0.060 0.000 1.137 165 T CA 0.650 62.780 62.100 0.051 0.000 1.014 165 T CB 0.145 69.025 68.868 0.021 0.000 1.410 165 T HN 0.566 nan 8.240 nan 0.000 0.532 166 Q N 0.100 119.928 119.800 0.046 0.000 2.008 166 Q HA -0.034 4.306 4.340 -0.000 0.000 0.196 166 Q C 2.306 178.345 176.000 0.066 0.000 0.973 166 Q CA 1.710 57.544 55.803 0.051 0.000 0.826 166 Q CB -0.472 28.285 28.738 0.033 0.000 0.894 166 Q HN 0.772 nan 8.270 nan 0.000 0.439 167 E N 0.470 120.707 120.200 0.062 0.000 2.152 167 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 167 E C 1.653 178.320 176.600 0.112 0.000 0.983 167 E CA 0.670 57.127 56.400 0.095 0.000 0.818 167 E CB -0.088 29.662 29.700 0.084 0.000 0.758 167 E HN 0.278 nan 8.360 nan 0.000 0.467 168 N N 0.425 119.172 118.700 0.077 0.000 2.309 168 N HA -0.144 4.596 4.740 -0.000 0.000 0.182 168 N C 1.466 177.024 175.510 0.080 0.000 1.018 168 N CA 0.753 53.845 53.050 0.070 0.000 0.876 168 N CB -0.026 38.509 38.487 0.081 0.000 0.972 168 N HN 0.238 nan 8.380 nan 0.000 0.434 169 Q N 0.391 120.249 119.800 0.096 0.000 2.432 169 Q HA 0.093 4.432 4.340 -0.000 0.000 0.205 169 Q C 1.435 177.514 176.000 0.132 0.000 0.945 169 Q CA 0.265 56.128 55.803 0.100 0.000 0.924 169 Q CB 0.320 29.125 28.738 0.111 0.000 1.016 169 Q HN 0.359 nan 8.270 nan 0.000 0.503 170 R N -0.228 120.370 120.500 0.164 0.000 2.093 170 R HA -0.010 4.330 4.340 -0.000 0.000 0.224 170 R C 2.169 178.648 176.300 0.298 0.000 1.101 170 R CA 0.803 57.034 56.100 0.218 0.000 0.979 170 R CB -0.131 30.296 30.300 0.211 0.000 0.877 170 R HN 0.264 nan 8.270 nan 0.000 0.441 171 I N 1.223 121.951 120.570 0.263 0.000 2.202 171 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 171 I C 2.342 178.500 176.117 0.069 0.000 1.091 171 I CA 1.279 62.648 61.300 0.115 0.000 1.368 171 I CB -0.321 37.599 38.000 -0.133 0.000 1.058 171 I HN 0.103 nan 8.210 nan 0.000 0.410 172 L N 0.457 121.704 121.223 0.039 0.000 2.127 172 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 172 L C 2.465 179.336 176.870 0.002 0.000 1.089 172 L CA 1.516 56.350 54.840 -0.010 0.000 0.757 172 L CB -0.391 41.643 42.059 -0.042 0.000 0.899 172 L HN 0.288 nan 8.230 nan 0.000 0.434 173 I N -0.674 119.927 120.570 0.051 0.000 2.480 173 I HA -0.148 4.022 4.170 -0.000 0.000 0.251 173 I C 2.720 178.876 176.117 0.066 0.000 1.124 173 I CA 0.793 62.120 61.300 0.045 0.000 1.444 173 I CB -0.360 37.685 38.000 0.075 0.000 1.098 173 I HN 0.134 nan 8.210 nan 0.000 0.428 174 A N 0.586 123.485 122.820 0.133 0.000 1.969 174 A HA -0.103 4.216 4.320 -0.000 0.000 0.218 174 A C 2.419 180.069 177.584 0.110 0.000 1.169 174 A CA 1.310 53.446 52.037 0.166 0.000 0.635 174 A CB -0.722 18.501 19.000 0.372 0.000 0.810 174 A HN 0.220 nan 8.150 nan 0.000 0.445 175 V N -0.140 119.818 119.914 0.072 0.000 2.270 175 V HA -0.155 3.964 4.120 -0.000 0.000 0.245 175 V C 2.860 178.953 176.094 -0.002 0.000 1.043 175 V CA 1.967 64.286 62.300 0.031 0.000 1.014 175 V CB -1.458 30.368 31.823 0.004 0.000 0.645 175 V HN 0.581 nan 8.190 nan 0.000 0.447 176 G N -0.520 108.266 108.800 -0.024 0.000 2.475 176 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 176 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 176 G C 1.704 176.576 174.900 -0.046 0.000 1.125 176 G CA 1.239 46.308 45.100 -0.052 0.000 0.755 176 G HN 0.619 nan 8.290 nan 0.000 0.565 177 A N 0.901 123.708 122.820 -0.022 0.000 1.855 177 A HA 0.215 4.535 4.320 -0.000 0.000 0.215 177 A C 2.764 180.323 177.584 -0.042 0.000 1.191 177 A CA 2.004 54.024 52.037 -0.028 0.000 0.613 177 A CB -1.173 17.825 19.000 -0.003 0.000 0.829 177 A HN 0.533 nan 8.150 nan 0.000 0.442 178 G N -0.527 108.262 108.800 -0.018 0.000 2.442 178 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.219 178 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.219 178 G C 1.677 176.545 174.900 -0.053 0.000 1.141 178 G CA 1.504 46.587 45.100 -0.028 0.000 0.763 178 G HN 0.813 nan 8.290 nan 0.000 0.554 179 A N 0.833 123.624 122.820 -0.049 0.000 1.930 179 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 179 A C 2.697 180.229 177.584 -0.087 0.000 1.175 179 A CA 1.904 53.904 52.037 -0.062 0.000 0.627 179 A CB -0.951 18.014 19.000 -0.058 0.000 0.815 179 A HN 0.502 nan 8.150 nan 0.000 0.443 180 G N -0.083 108.661 108.800 -0.094 0.000 2.440 180 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.218 180 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.218 180 G C 1.499 176.298 174.900 -0.167 0.000 1.154 180 G CA 1.294 46.324 45.100 -0.116 0.000 0.767 180 G HN 0.467 nan 8.290 nan 0.000 0.552 181 L N 1.171 122.283 121.223 -0.185 0.000 2.005 181 L HA 0.227 4.567 4.340 -0.000 0.000 0.207 181 L C 3.145 179.865 176.870 -0.250 0.000 1.072 181 L CA 2.127 56.797 54.840 -0.283 0.000 0.744 181 L CB -0.740 41.168 42.059 -0.253 0.000 0.895 181 L HN 0.226 nan 8.230 nan 0.000 0.433 182 A N -1.442 121.295 122.820 -0.139 0.000 1.917 182 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 182 A C 2.250 179.781 177.584 -0.089 0.000 1.182 182 A CA 2.504 54.491 52.037 -0.082 0.000 0.633 182 A CB -1.326 17.640 19.000 -0.057 0.000 0.819 182 A HN 0.532 nan 8.150 nan 0.000 0.448 183 T N -0.092 114.394 114.554 -0.113 0.000 2.915 183 T HA 0.102 4.452 4.350 -0.000 0.000 0.269 183 T C 2.023 176.643 174.700 -0.134 0.000 1.071 183 T CA 1.262 63.301 62.100 -0.102 0.000 1.132 183 T CB -0.239 68.573 68.868 -0.093 0.000 0.878 183 T HN 0.600 nan 8.240 nan 0.000 0.479 184 A N 0.587 123.265 122.820 -0.236 0.000 1.935 184 A HA 0.238 4.558 4.320 -0.000 0.000 0.214 184 A C 1.245 178.707 177.584 -0.204 0.000 1.178 184 A CA 0.733 52.564 52.037 -0.344 0.000 0.640 184 A CB -0.217 18.400 19.000 -0.637 0.000 0.825 184 A HN 0.465 nan 8.150 nan 0.000 0.447 185 F N -0.887 119.048 119.950 -0.024 0.000 2.683 185 F HA 0.283 4.810 4.527 -0.000 0.000 0.306 185 F C 0.697 176.480 175.800 -0.029 0.000 1.102 185 F CA -0.964 57.026 58.000 -0.017 0.000 1.244 185 F CB -0.863 38.121 39.000 -0.026 0.000 1.029 185 F HN 0.295 nan 8.300 nan 0.000 0.545 186 N N 1.767 120.527 118.700 0.100 0.000 2.716 186 N HA -0.233 4.507 4.740 -0.000 0.000 0.250 186 N C -0.539 175.000 175.510 0.047 0.000 1.033 186 N CA 0.793 53.871 53.050 0.045 0.000 0.727 186 N CB -0.812 37.697 38.487 0.037 0.000 0.950 186 N HN 0.328 nan 8.380 nan 0.000 0.541 187 A N -0.237 122.617 122.820 0.055 0.000 2.586 187 A HA 0.599 4.919 4.320 -0.000 0.000 0.320 187 A C -1.630 175.955 177.584 0.002 0.000 1.281 187 A CA -1.132 50.929 52.037 0.039 0.000 0.775 187 A CB 1.328 20.378 19.000 0.082 0.000 1.122 187 A HN 0.152 nan 8.150 nan 0.000 0.470 188 P HA -0.147 nan 4.420 nan 0.000 0.213 188 P C 1.493 178.769 177.300 -0.040 0.000 1.170 188 P CA 0.939 64.020 63.100 -0.032 0.000 0.893 188 P CB 0.057 31.735 31.700 -0.037 0.000 0.784 189 L N -1.502 119.695 121.223 -0.044 0.000 2.447 189 L HA -0.174 4.166 4.340 -0.000 0.000 0.225 189 L C 2.268 179.115 176.870 -0.039 0.000 1.148 189 L CA 1.191 55.998 54.840 -0.054 0.000 0.808 189 L CB -0.969 41.057 42.059 -0.054 0.000 0.928 189 L HN -0.007 nan 8.230 nan 0.000 0.448 190 A N 0.288 123.094 122.820 -0.023 0.000 1.878 190 A HA 0.047 4.366 4.320 -0.000 0.000 0.213 190 A C 2.420 179.985 177.584 -0.031 0.000 1.192 190 A CA 1.096 53.124 52.037 -0.014 0.000 0.619 190 A CB -1.017 17.986 19.000 0.005 0.000 0.837 190 A HN 0.364 nan 8.150 nan 0.000 0.446 191 G N -0.586 108.187 108.800 -0.045 0.000 2.448 191 G HA2 -0.061 3.898 3.960 -0.000 0.000 0.219 191 G HA3 -0.061 3.898 3.960 -0.000 0.000 0.219 191 G C 1.381 176.270 174.900 -0.019 0.000 1.127 191 G CA 1.282 46.353 45.100 -0.049 0.000 0.766 191 G HN 0.298 nan 8.290 nan 0.000 0.552 192 V N 0.814 120.711 119.914 -0.027 0.000 2.488 192 V HA 0.056 4.176 4.120 -0.000 0.000 0.246 192 V C 3.103 179.189 176.094 -0.014 0.000 1.046 192 V CA 1.757 64.039 62.300 -0.030 0.000 1.053 192 V CB -0.179 31.587 31.823 -0.094 0.000 0.679 192 V HN 0.430 nan 8.190 nan 0.000 0.458 193 A N -0.505 122.305 122.820 -0.016 0.000 2.123 193 A HA -0.004 4.316 4.320 -0.000 0.000 0.214 193 A C 1.987 179.604 177.584 0.054 0.000 1.152 193 A CA 0.990 53.033 52.037 0.010 0.000 0.728 193 A CB -0.297 18.704 19.000 0.002 0.000 0.814 193 A HN 0.419 nan 8.150 nan 0.000 0.464 194 L N 0.021 121.270 121.223 0.044 0.000 1.943 194 L HA -0.141 4.199 4.340 -0.000 0.000 0.215 194 L C 2.061 178.982 176.870 0.084 0.000 1.074 194 L CA 2.111 56.985 54.840 0.056 0.000 0.759 194 L CB -0.698 41.362 42.059 0.001 0.000 0.888 194 L HN 0.275 nan 8.230 nan 0.000 0.433 195 I N 0.531 121.158 120.570 0.095 0.000 2.335 195 I HA -0.200 3.969 4.170 -0.000 0.000 0.251 195 I C 2.476 178.722 176.117 0.215 0.000 1.129 195 I CA 1.613 62.999 61.300 0.144 0.000 1.402 195 I CB -1.343 36.768 38.000 0.184 0.000 1.069 195 I HN 0.431 nan 8.210 nan 0.000 0.424 196 G N -0.943 107.992 108.800 0.224 0.000 2.408 196 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 196 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 196 G C 1.583 176.613 174.900 0.216 0.000 1.150 196 G CA 0.879 46.152 45.100 0.287 0.000 0.776 196 G HN 0.466 nan 8.290 nan 0.000 0.542 197 E N -0.743 119.541 120.200 0.140 0.000 2.101 197 E HA 0.119 4.469 4.350 -0.000 0.000 0.194 197 E C 0.389 177.054 176.600 0.108 0.000 0.950 197 E CA -0.433 56.020 56.400 0.087 0.000 0.917 197 E CB 0.195 29.939 29.700 0.074 0.000 0.963 197 E HN 0.090 nan 8.360 nan 0.000 0.476 198 E N 0.986 121.258 120.200 0.119 0.000 2.343 198 E HA 0.046 4.396 4.350 -0.000 0.000 0.269 198 E C -0.246 176.417 176.600 0.105 0.000 1.047 198 E CA -0.033 56.441 56.400 0.122 0.000 0.874 198 E CB 1.172 30.956 29.700 0.139 0.000 1.033 198 E HN 0.451 nan 8.360 nan 0.000 0.409 199 M N 3.414 123.071 119.600 0.095 0.000 2.417 199 M HA -0.253 4.227 4.480 -0.000 0.000 0.205 199 M C -1.303 175.045 176.300 0.080 0.000 0.452 199 M CA 0.385 55.721 55.300 0.061 0.000 0.512 199 M CB -1.159 31.451 32.600 0.016 0.000 1.774 199 M HN 0.579 nan 8.290 nan 0.000 0.874 200 H N 2.397 121.469 119.070 0.003 0.000 2.944 200 H HA 0.587 5.143 4.556 -0.000 0.000 0.278 200 H C -2.241 173.031 175.328 -0.094 0.000 1.083 200 H CA -0.827 55.212 56.048 -0.014 0.000 1.479 200 H CB 0.675 30.447 29.762 0.015 0.000 1.486 200 H HN 0.306 nan 8.280 nan 0.000 0.493 201 P HA 0.338 nan 4.420 nan 0.000 0.287 201 P C 0.427 177.236 177.300 -0.818 0.000 1.296 201 P CA -0.727 61.950 63.100 -0.705 0.000 0.811 201 P CB 1.835 32.924 31.700 -1.018 0.000 1.211 202 R N -0.748 119.373 120.500 -0.631 0.000 2.043 202 R HA 0.243 4.583 4.340 -0.000 0.000 0.221 202 R C -0.003 176.165 176.300 -0.220 0.000 1.196 202 R CA 0.328 56.210 56.100 -0.363 0.000 0.949 202 R CB -0.587 29.591 30.300 -0.202 0.000 0.838 202 R HN 0.438 nan 8.270 nan 0.000 0.446 203 F N 1.105 120.996 119.950 -0.099 0.000 2.266 203 F HA -0.240 4.287 4.527 -0.000 0.000 0.394 203 F C 0.078 175.837 175.800 -0.069 0.000 1.147 203 F CA -0.168 57.784 58.000 -0.081 0.000 1.314 203 F CB -0.406 38.532 39.000 -0.104 0.000 1.961 203 F HN 0.291 nan 8.300 nan 0.000 0.768 204 R N 1.732 122.310 120.500 0.130 0.000 2.483 204 R HA 0.496 4.836 4.340 -0.000 0.000 0.303 204 R C -0.139 176.182 176.300 0.035 0.000 0.987 204 R CA -0.384 55.749 56.100 0.055 0.000 0.881 204 R CB 1.552 31.867 30.300 0.025 0.000 1.177 204 R HN 0.252 nan 8.270 nan 0.000 0.451 205 S N 3.103 118.813 115.700 0.016 0.000 2.561 205 S HA 0.073 4.543 4.470 -0.000 0.000 0.245 205 S C -0.175 174.425 174.600 -0.001 0.000 1.001 205 S CA -0.314 57.895 58.200 0.014 0.000 1.002 205 S CB 0.505 63.707 63.200 0.003 0.000 0.805 205 S HN 0.628 nan 8.310 nan 0.000 0.458 206 Q N 1.397 121.195 119.800 -0.003 0.000 3.159 206 Q HA 0.097 4.436 4.340 -0.000 0.000 0.280 206 Q C 1.278 177.216 176.000 -0.103 0.000 1.403 206 Q CA -0.073 55.697 55.803 -0.055 0.000 0.957 206 Q CB -0.240 28.457 28.738 -0.068 0.000 1.729 206 Q HN 0.206 nan 8.270 nan 0.000 0.551 207 T N 0.642 115.146 114.554 -0.085 0.000 3.007 207 T HA -0.040 4.310 4.350 -0.000 0.000 0.270 207 T C 0.897 175.434 174.700 -0.272 0.000 1.107 207 T CA 0.554 62.568 62.100 -0.143 0.000 1.118 207 T CB 0.156 68.966 68.868 -0.098 0.000 0.889 207 T HN 0.296 nan 8.240 nan 0.000 0.506 208 L N 1.861 122.972 121.223 -0.186 0.000 2.873 208 L HA 0.407 4.747 4.340 -0.000 0.000 0.236 208 L C 1.669 178.456 176.870 -0.138 0.000 1.375 208 L CA 0.044 54.804 54.840 -0.134 0.000 1.239 208 L CB -1.227 40.724 42.059 -0.181 0.000 1.603 208 L HN 0.252 nan 8.230 nan 0.000 0.430 209 A N -1.499 121.153 122.820 -0.280 0.000 2.218 209 A HA -0.058 4.262 4.320 -0.000 0.000 0.209 209 A C 1.697 179.248 177.584 -0.055 0.000 1.168 209 A CA 0.117 51.964 52.037 -0.317 0.000 0.804 209 A CB -0.185 18.284 19.000 -0.884 0.000 0.834 209 A HN 0.363 nan 8.150 nan 0.000 0.482 210 Y N 0.610 120.895 120.300 -0.024 0.000 2.069 210 Y HA -0.280 4.270 4.550 -0.000 0.000 0.278 210 Y C 2.415 178.311 175.900 -0.007 0.000 1.175 210 Y CA 1.766 59.874 58.100 0.013 0.000 1.134 210 Y CB -1.243 37.244 38.460 0.046 0.000 0.965 210 Y HN 0.549 nan 8.280 nan 0.000 0.498 211 H N -1.333 117.774 119.070 0.060 0.000 2.422 211 H HA -0.110 4.446 4.556 -0.000 0.000 0.298 211 H C 2.354 177.671 175.328 -0.019 0.000 1.098 211 H CA 1.554 57.560 56.048 -0.070 0.000 1.315 211 H CB -0.385 29.328 29.762 -0.082 0.000 1.382 211 H HN 0.145 nan 8.280 nan 0.000 0.523 212 S N -0.269 115.526 115.700 0.159 0.000 2.406 212 S HA -0.014 4.456 4.470 -0.000 0.000 0.228 212 S C 2.162 176.827 174.600 0.109 0.000 1.020 212 S CA 0.533 58.815 58.200 0.138 0.000 0.965 212 S CB -0.035 63.181 63.200 0.028 0.000 0.798 212 S HN 0.235 nan 8.310 nan 0.000 0.488 213 L N 1.135 122.407 121.223 0.082 0.000 1.973 213 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 213 L C 2.268 179.161 176.870 0.038 0.000 1.073 213 L CA 1.073 55.953 54.840 0.067 0.000 0.746 213 L CB -0.737 41.384 42.059 0.103 0.000 0.891 213 L HN 0.259 nan 8.230 nan 0.000 0.433 214 L N -1.188 120.024 121.223 -0.018 0.000 1.991 214 L HA -0.319 4.021 4.340 -0.000 0.000 0.221 214 L C 2.658 179.532 176.870 0.008 0.000 1.079 214 L CA 1.521 56.312 54.840 -0.081 0.000 0.778 214 L CB -0.802 41.123 42.059 -0.222 0.000 0.893 214 L HN 0.116 nan 8.230 nan 0.000 0.437 215 F N 0.768 120.690 119.950 -0.046 0.000 2.063 215 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 215 F C 2.495 178.263 175.800 -0.054 0.000 1.109 215 F CA 1.553 59.526 58.000 -0.045 0.000 1.212 215 F CB -1.445 37.536 39.000 -0.033 0.000 0.973 215 F HN 0.064 nan 8.300 nan 0.000 0.480 216 G N -1.513 107.383 108.800 0.160 0.000 2.432 216 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 216 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 216 G C 1.798 176.706 174.900 0.013 0.000 1.135 216 G CA 1.197 46.321 45.100 0.040 0.000 0.767 216 G HN 0.470 nan 8.290 nan 0.000 0.550 217 C N -0.335 118.977 119.300 0.019 0.000 2.500 217 C HA 0.088 4.548 4.460 -0.000 0.000 0.279 217 C C 3.011 177.998 174.990 -0.004 0.000 1.288 217 C CA 0.462 59.475 59.018 -0.008 0.000 1.710 217 C CB -0.798 26.930 27.740 -0.021 0.000 2.052 217 C HN 0.285 nan 8.230 nan 0.000 0.488 218 V N 1.316 121.241 119.914 0.018 0.000 2.255 218 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 218 V C 2.597 178.701 176.094 0.017 0.000 1.051 218 V CA 1.988 64.300 62.300 0.020 0.000 1.018 218 V CB -0.652 31.201 31.823 0.051 0.000 0.641 218 V HN 0.461 nan 8.190 nan 0.000 0.445 219 M N -0.215 119.402 119.600 0.028 0.000 2.080 219 M HA -0.182 4.297 4.480 -0.000 0.000 0.260 219 M C 2.444 178.726 176.300 -0.030 0.000 1.068 219 M CA 2.375 57.669 55.300 -0.010 0.000 1.109 219 M CB -1.565 31.012 32.600 -0.038 0.000 1.342 219 M HN 0.436 nan 8.290 nan 0.000 0.405 220 A N 0.494 123.293 122.820 -0.034 0.000 1.883 220 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 220 A C 2.267 179.826 177.584 -0.041 0.000 1.186 220 A CA 2.867 54.876 52.037 -0.047 0.000 0.624 220 A CB -1.339 17.630 19.000 -0.052 0.000 0.822 220 A HN 0.637 nan 8.150 nan 0.000 0.444 221 T N -1.852 112.683 114.554 -0.032 0.000 2.915 221 T HA 0.031 4.380 4.350 -0.000 0.000 0.269 221 T C 1.736 176.420 174.700 -0.025 0.000 1.071 221 T CA 1.304 63.387 62.100 -0.028 0.000 1.132 221 T CB -0.473 68.382 68.868 -0.022 0.000 0.878 221 T HN 0.365 nan 8.240 nan 0.000 0.479 222 I N 0.388 120.944 120.570 -0.023 0.000 2.546 222 I HA -0.019 4.151 4.170 -0.000 0.000 0.255 222 I C 2.061 178.161 176.117 -0.028 0.000 1.163 222 I CA 0.671 61.957 61.300 -0.022 0.000 1.457 222 I CB -0.188 37.801 38.000 -0.017 0.000 1.092 222 I HN 0.189 nan 8.210 nan 0.000 0.434 223 I N 0.260 120.808 120.570 -0.035 0.000 2.584 223 I HA -0.181 3.989 4.170 -0.000 0.000 0.255 223 I C 2.372 178.465 176.117 -0.040 0.000 1.145 223 I CA 1.036 62.311 61.300 -0.040 0.000 1.462 223 I CB -0.872 37.099 38.000 -0.049 0.000 1.102 223 I HN 0.252 nan 8.210 nan 0.000 0.433 224 L N 1.611 122.810 121.223 -0.040 0.000 1.994 224 L HA -0.187 4.152 4.340 -0.000 0.000 0.208 224 L C 2.568 179.417 176.870 -0.035 0.000 1.071 224 L CA 1.875 56.690 54.840 -0.042 0.000 0.745 224 L CB -0.663 41.370 42.059 -0.043 0.000 0.892 224 L HN 0.230 nan 8.230 nan 0.000 0.431 225 R N -0.895 119.588 120.500 -0.028 0.000 2.193 225 R HA -0.136 4.204 4.340 -0.000 0.000 0.229 225 R C 2.177 178.463 176.300 -0.022 0.000 1.110 225 R CA 1.209 57.295 56.100 -0.022 0.000 0.988 225 R CB -0.186 30.104 30.300 -0.018 0.000 0.871 225 R HN 0.452 nan 8.270 nan 0.000 0.458 226 M N -0.120 119.465 119.600 -0.025 0.000 2.254 226 M HA -0.079 4.401 4.480 -0.000 0.000 0.265 226 M C 1.824 178.109 176.300 -0.025 0.000 1.066 226 M CA 1.536 56.822 55.300 -0.024 0.000 1.123 226 M CB 0.154 32.737 32.600 -0.027 0.000 1.388 226 M HN 0.135 nan 8.290 nan 0.000 0.425 227 I N -0.764 119.789 120.570 -0.030 0.000 3.081 227 I HA -0.085 4.085 4.170 -0.000 0.000 0.274 227 I C 1.265 177.364 176.117 -0.030 0.000 1.178 227 I CA 0.657 61.938 61.300 -0.031 0.000 1.460 227 I CB 0.105 38.083 38.000 -0.037 0.000 1.137 227 I HN 0.283 nan 8.210 nan 0.000 0.443 228 R N 0.332 120.813 120.500 -0.031 0.000 2.518 228 R HA 0.347 4.687 4.340 -0.000 0.000 0.419 228 R C 0.641 176.928 176.300 -0.022 0.000 0.902 228 R CA -0.179 55.904 56.100 -0.029 0.000 1.146 228 R CB -0.516 29.758 30.300 -0.043 0.000 1.652 228 R HN 0.062 nan 8.270 nan 0.000 0.555 229 G N 0.977 109.766 108.800 -0.019 0.000 2.468 229 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.264 229 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.264 229 G C 0.047 174.942 174.900 -0.009 0.000 1.460 229 G CA -0.259 44.833 45.100 -0.014 0.000 1.060 229 G HN 0.267 nan 8.290 nan 0.000 0.543 230 Q N -1.285 118.511 119.800 -0.007 0.000 2.280 230 Q HA 0.168 4.507 4.340 -0.000 0.000 0.228 230 Q C 1.176 177.173 176.000 -0.005 0.000 0.857 230 Q CA 0.140 55.938 55.803 -0.008 0.000 0.939 230 Q CB 0.131 28.863 28.738 -0.010 0.000 1.114 230 Q HN 0.583 nan 8.270 nan 0.000 0.514 231 S N -0.118 115.581 115.700 -0.002 0.000 2.608 231 S HA 0.604 5.074 4.470 -0.000 0.000 0.261 231 S C 0.570 175.172 174.600 0.004 0.000 1.314 231 S CA -0.355 57.845 58.200 -0.000 0.000 0.992 231 S CB 1.233 64.433 63.200 0.001 0.000 0.935 231 S HN 0.341 nan 8.310 nan 0.000 0.564 232 A N 0.980 123.802 122.820 0.004 0.000 2.311 232 A HA 0.423 4.743 4.320 -0.000 0.000 0.272 232 A C 1.468 179.061 177.584 0.015 0.000 1.438 232 A CA -0.450 51.592 52.037 0.008 0.000 0.819 232 A CB -0.485 18.514 19.000 -0.002 0.000 1.336 232 A HN 0.788 nan 8.150 nan 0.000 0.528 233 I N -1.141 119.438 120.570 0.016 0.000 2.339 233 I HA 0.166 4.336 4.170 -0.000 0.000 0.245 233 I C 0.885 177.009 176.117 0.012 0.000 1.096 233 I CA 1.650 62.966 61.300 0.026 0.000 1.408 233 I CB -0.257 37.758 38.000 0.026 0.000 1.092 233 I HN 0.520 nan 8.210 nan 0.000 0.423 234 I N 0.297 120.853 120.570 -0.023 0.000 2.588 234 I HA 0.104 4.274 4.170 -0.000 0.000 0.278 234 I C -0.317 175.755 176.117 -0.076 0.000 1.144 234 I CA -0.129 61.142 61.300 -0.048 0.000 1.074 234 I CB 1.156 39.106 38.000 -0.083 0.000 1.235 234 I HN -0.160 nan 8.210 nan 0.000 0.472 235 S N 7.337 123.014 115.700 -0.037 0.000 2.455 235 S HA 0.461 4.931 4.470 -0.000 0.000 0.278 235 S C -0.016 174.575 174.600 -0.014 0.000 1.216 235 S CA -0.158 58.028 58.200 -0.024 0.000 1.055 235 S CB 0.149 63.343 63.200 -0.011 0.000 0.939 235 S HN 0.620 nan 8.310 nan 0.000 0.494 236 L N 5.333 126.562 121.223 0.011 0.000 2.999 236 L HA 0.269 4.609 4.340 -0.000 0.000 0.263 236 L C 1.576 178.532 176.870 0.143 0.000 1.320 236 L CA -0.352 54.566 54.840 0.130 0.000 0.913 236 L CB 0.409 42.562 42.059 0.156 0.000 1.296 236 L HN 0.659 nan 8.230 nan 0.000 0.546 237 T N -0.638 113.934 114.554 0.031 0.000 3.085 237 T HA -0.082 4.268 4.350 -0.000 0.000 0.263 237 T C 1.706 176.398 174.700 -0.014 0.000 1.127 237 T CA 1.436 63.573 62.100 0.061 0.000 1.103 237 T CB 0.195 69.091 68.868 0.046 0.000 0.921 237 T HN 0.589 nan 8.240 nan 0.000 0.510 238 E N 0.200 120.261 120.200 -0.232 0.000 2.230 238 E HA -0.005 4.345 4.350 -0.000 0.000 0.192 238 E C -0.079 176.274 176.600 -0.413 0.000 0.987 238 E CA 0.131 56.307 56.400 -0.373 0.000 0.841 238 E CB -0.686 28.722 29.700 -0.487 0.000 0.783 238 E HN 0.552 nan 8.360 nan 0.000 0.481 239 F N 3.199 123.090 119.950 -0.097 0.000 2.506 239 F HA 0.152 4.679 4.527 -0.000 0.000 0.369 239 F C 1.404 177.095 175.800 -0.180 0.000 1.114 239 F CA 0.183 58.117 58.000 -0.110 0.000 1.121 239 F CB 0.416 39.384 39.000 -0.054 0.000 1.104 239 F HN 0.033 nan 8.300 nan 0.000 0.564 240 K N 1.624 121.913 120.400 -0.185 0.000 2.589 240 K HA 0.234 4.554 4.320 -0.000 0.000 0.198 240 K C 0.165 176.640 176.600 -0.208 0.000 1.114 240 K CA -0.574 55.441 56.287 -0.453 0.000 1.070 240 K CB 0.652 32.302 32.500 -1.418 0.000 0.860 240 K HN 0.407 nan 8.250 nan 0.000 0.536 241 R N 1.824 122.282 120.500 -0.070 0.000 2.278 241 R HA 0.293 4.633 4.340 -0.000 0.000 0.322 241 R C -1.320 174.990 176.300 0.017 0.000 1.058 241 R CA -0.336 55.750 56.100 -0.023 0.000 0.991 241 R CB 1.323 31.616 30.300 -0.012 0.000 1.140 241 R HN 0.032 nan 8.270 nan 0.000 0.518 242 V N 6.474 126.402 119.914 0.023 0.000 2.443 242 V HA 0.251 4.371 4.120 -0.000 0.000 0.272 242 V C -1.823 174.289 176.094 0.030 0.000 1.002 242 V CA -1.512 60.806 62.300 0.028 0.000 0.840 242 V CB 1.150 32.974 31.823 0.002 0.000 1.042 242 V HN 0.726 nan 8.190 nan 0.000 0.446 243 P HA 0.196 nan 4.420 nan 0.000 0.269 243 P C 0.998 178.325 177.300 0.047 0.000 1.217 243 P CA -0.175 62.952 63.100 0.046 0.000 0.783 243 P CB 1.655 33.389 31.700 0.057 0.000 0.898 244 L N 0.612 121.864 121.223 0.047 0.000 2.217 244 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 244 L C 1.262 178.178 176.870 0.076 0.000 1.107 244 L CA 1.395 56.264 54.840 0.049 0.000 0.783 244 L CB -0.604 41.481 42.059 0.043 0.000 0.919 244 L HN 0.457 nan 8.230 nan 0.000 0.442 245 D N -1.898 118.557 120.400 0.092 0.000 2.434 245 D HA -0.059 4.581 4.640 -0.000 0.000 0.232 245 D C 1.254 177.653 176.300 0.166 0.000 1.166 245 D CA 0.416 54.504 54.000 0.147 0.000 0.830 245 D CB 0.020 40.898 40.800 0.130 0.000 0.960 245 D HN 0.168 nan 8.370 nan 0.000 0.497 246 S N -1.199 114.541 115.700 0.066 0.000 2.603 246 S HA 0.158 4.628 4.470 -0.000 0.000 0.232 246 S C 1.546 176.049 174.600 -0.162 0.000 1.016 246 S CA -0.472 57.674 58.200 -0.089 0.000 0.976 246 S CB -0.399 62.805 63.200 0.007 0.000 0.921 246 S HN 0.218 nan 8.310 nan 0.000 0.516 247 L N 1.414 122.654 121.223 0.028 0.000 2.109 247 L HA 0.037 4.377 4.340 -0.000 0.000 0.207 247 L C 2.866 179.767 176.870 0.050 0.000 1.086 247 L CA 1.384 56.325 54.840 0.168 0.000 0.760 247 L CB -0.710 41.420 42.059 0.119 0.000 0.910 247 L HN 0.627 nan 8.230 nan 0.000 0.437 248 W N 0.053 121.367 121.300 0.023 0.000 2.321 248 W HA -0.267 4.393 4.660 -0.000 0.000 0.285 248 W C 1.841 178.303 176.519 -0.095 0.000 1.213 248 W CA 0.868 58.198 57.345 -0.024 0.000 1.205 248 W CB -1.113 28.316 29.460 -0.052 0.000 1.134 248 W HN 0.225 nan 8.180 nan 0.000 0.549 249 M N -0.050 118.873 119.600 -1.127 0.000 2.159 249 M HA -0.118 4.362 4.480 -0.000 0.000 0.263 249 M C 1.925 177.688 176.300 -0.895 0.000 1.063 249 M CA 1.832 56.295 55.300 -1.393 0.000 1.110 249 M CB -0.727 30.576 32.600 -2.163 0.000 1.374 249 M HN -0.140 nan 8.290 nan 0.000 0.411 250 F N -0.037 119.670 119.950 -0.405 0.000 2.456 250 F HA 0.006 4.533 4.527 -0.000 0.000 0.298 250 F C 2.029 177.779 175.800 -0.082 0.000 1.104 250 F CA 0.608 58.472 58.000 -0.228 0.000 1.435 250 F CB -0.680 38.205 39.000 -0.192 0.000 1.078 250 F HN 0.032 nan 8.300 nan 0.000 0.546 251 I N 0.203 120.838 120.570 0.109 0.000 2.163 251 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 251 I C 2.246 178.431 176.117 0.112 0.000 1.085 251 I CA 1.634 63.006 61.300 0.120 0.000 1.347 251 I CB -0.464 37.621 38.000 0.142 0.000 1.044 251 I HN 0.100 nan 8.210 nan 0.000 0.408 252 I N 0.011 120.642 120.570 0.101 0.000 2.439 252 I HA -0.238 3.931 4.170 -0.000 0.000 0.251 252 I C 2.414 178.594 176.117 0.105 0.000 1.139 252 I CA 0.781 62.164 61.300 0.139 0.000 1.438 252 I CB -0.177 37.981 38.000 0.264 0.000 1.085 252 I HN 0.243 nan 8.210 nan 0.000 0.427 253 L N 1.091 122.329 121.223 0.024 0.000 2.201 253 L HA -0.004 4.336 4.340 -0.000 0.000 0.212 253 L C 2.202 179.225 176.870 0.255 0.000 1.105 253 L CA 1.773 56.669 54.840 0.094 0.000 0.775 253 L CB -0.883 41.199 42.059 0.038 0.000 0.913 253 L HN 0.136 nan 8.230 nan 0.000 0.440 254 G N -0.379 108.544 108.800 0.204 0.000 2.396 254 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.214 254 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.214 254 G C 1.460 176.470 174.900 0.184 0.000 1.166 254 G CA 0.650 45.880 45.100 0.217 0.000 0.793 254 G HN 0.327 nan 8.290 nan 0.000 0.533 255 I N 1.146 121.795 120.570 0.132 0.000 2.264 255 I HA -0.094 4.076 4.170 -0.000 0.000 0.248 255 I C 2.570 178.735 176.117 0.079 0.000 1.111 255 I CA 0.694 62.054 61.300 0.100 0.000 1.382 255 I CB -1.026 37.027 38.000 0.088 0.000 1.060 255 I HN 0.136 nan 8.210 nan 0.000 0.418 256 L N 0.349 121.601 121.223 0.049 0.000 2.056 256 L HA -0.173 4.166 4.340 -0.000 0.000 0.207 256 L C 2.489 179.297 176.870 -0.104 0.000 1.078 256 L CA 2.078 56.876 54.840 -0.069 0.000 0.749 256 L CB -0.745 41.206 42.059 -0.180 0.000 0.901 256 L HN 0.055 nan 8.230 nan 0.000 0.433 257 F N 0.381 120.364 119.950 0.055 0.000 2.367 257 F HA 0.036 4.563 4.527 -0.000 0.000 0.298 257 F C 2.538 178.388 175.800 0.084 0.000 1.094 257 F CA 0.948 58.985 58.000 0.061 0.000 1.409 257 F CB -0.965 38.059 39.000 0.040 0.000 1.064 257 F HN 0.134 nan 8.300 nan 0.000 0.528 258 G N 0.238 109.184 108.800 0.242 0.000 2.440 258 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.218 258 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.218 258 G C 1.790 176.805 174.900 0.191 0.000 1.154 258 G CA 1.521 46.732 45.100 0.186 0.000 0.767 258 G HN 0.362 nan 8.290 nan 0.000 0.552 259 V N -2.149 117.855 119.914 0.150 0.000 2.719 259 V HA 0.129 4.249 4.120 -0.000 0.000 0.252 259 V C 2.523 178.756 176.094 0.231 0.000 1.065 259 V CA 1.606 64.002 62.300 0.161 0.000 1.086 259 V CB -0.242 31.629 31.823 0.080 0.000 0.700 259 V HN 0.303 nan 8.190 nan 0.000 0.467 260 M N 1.089 120.812 119.600 0.204 0.000 2.175 260 M HA 0.039 4.519 4.480 -0.000 0.000 0.264 260 M C 2.212 178.738 176.300 0.378 0.000 1.063 260 M CA 1.919 57.383 55.300 0.272 0.000 1.119 260 M CB -0.658 32.070 32.600 0.213 0.000 1.377 260 M HN 0.587 nan 8.290 nan 0.000 0.415 261 G N -1.156 107.832 108.800 0.313 0.000 2.394 261 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.215 261 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.215 261 G C 1.320 176.390 174.900 0.283 0.000 1.165 261 G CA 0.443 45.703 45.100 0.268 0.000 0.784 261 G HN 0.455 nan 8.290 nan 0.000 0.535 262 Y N 2.469 122.871 120.300 0.170 0.000 2.114 262 Y HA -0.278 4.272 4.550 -0.000 0.000 0.282 262 Y C 3.174 179.161 175.900 0.144 0.000 1.165 262 Y CA 2.781 60.966 58.100 0.142 0.000 1.148 262 Y CB -0.310 38.223 38.460 0.122 0.000 0.972 262 Y HN 0.300 nan 8.280 nan 0.000 0.504 263 T N -2.429 112.281 114.554 0.260 0.000 2.985 263 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 263 T C 1.691 176.498 174.700 0.179 0.000 1.076 263 T CA 0.939 63.152 62.100 0.187 0.000 1.135 263 T CB -1.006 68.034 68.868 0.286 0.000 0.890 263 T HN 0.410 nan 8.240 nan 0.000 0.480 264 F N 2.952 122.961 119.950 0.098 0.000 2.186 264 F HA 0.042 4.569 4.527 -0.000 0.000 0.299 264 F C 1.937 177.552 175.800 -0.309 0.000 1.090 264 F CA 0.930 58.869 58.000 -0.101 0.000 1.307 264 F CB -0.345 38.579 39.000 -0.128 0.000 1.019 264 F HN 0.053 nan 8.300 nan 0.000 0.489 265 N N 0.474 118.997 118.700 -0.296 0.000 2.092 265 N HA -0.104 4.636 4.740 -0.000 0.000 0.189 265 N C 1.955 176.916 175.510 -0.915 0.000 1.040 265 N CA 1.008 53.616 53.050 -0.736 0.000 0.845 265 N CB -0.550 37.699 38.487 -0.396 0.000 1.017 265 N HN 0.130 nan 8.380 nan 0.000 0.426 266 R N 0.613 120.850 120.500 -0.438 0.000 2.119 266 R HA -0.083 4.257 4.340 -0.000 0.000 0.246 266 R C 2.140 178.342 176.300 -0.163 0.000 1.146 266 R CA 1.364 57.346 56.100 -0.195 0.000 0.962 266 R CB -1.298 28.853 30.300 -0.248 0.000 0.863 266 R HN 0.360 nan 8.270 nan 0.000 0.442 267 G N 0.941 109.603 108.800 -0.230 0.000 2.414 267 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.215 267 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.215 267 G C 1.598 176.351 174.900 -0.245 0.000 1.188 267 G CA 0.194 45.189 45.100 -0.175 0.000 0.783 267 G HN 0.210 nan 8.290 nan 0.000 0.537 268 L N -0.441 120.479 121.223 -0.504 0.000 1.990 268 L HA -0.133 4.207 4.340 -0.000 0.000 0.213 268 L C 2.842 179.622 176.870 -0.149 0.000 1.072 268 L CA 1.687 56.260 54.840 -0.445 0.000 0.755 268 L CB -0.386 41.234 42.059 -0.733 0.000 0.889 268 L HN 0.183 nan 8.230 nan 0.000 0.432 269 F N 0.475 120.380 119.950 -0.076 0.000 2.120 269 F HA -0.268 4.258 4.527 -0.000 0.000 0.300 269 F C 2.552 178.367 175.800 0.025 0.000 1.095 269 F CA 1.452 59.442 58.000 -0.017 0.000 1.249 269 F CB -0.858 38.122 39.000 -0.033 0.000 0.995 269 F HN 0.067 nan 8.300 nan 0.000 0.480 270 K N -0.288 120.224 120.400 0.188 0.000 2.228 270 K HA 0.001 4.321 4.320 -0.000 0.000 0.202 270 K C 2.019 178.721 176.600 0.170 0.000 1.051 270 K CA 0.794 57.171 56.287 0.150 0.000 0.960 270 K CB -0.215 32.341 32.500 0.093 0.000 0.743 270 K HN 0.106 nan 8.250 nan 0.000 0.458 271 V N 1.654 121.660 119.914 0.153 0.000 2.453 271 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 271 V C 2.098 178.463 176.094 0.451 0.000 1.048 271 V CA 1.356 63.812 62.300 0.259 0.000 1.049 271 V CB -0.365 31.571 31.823 0.189 0.000 0.672 271 V HN 0.240 nan 8.190 nan 0.000 0.457 272 L N -0.207 121.198 121.223 0.304 0.000 2.017 272 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 272 L C 2.453 179.485 176.870 0.270 0.000 1.073 272 L CA 1.667 56.673 54.840 0.277 0.000 0.745 272 L CB -0.764 41.412 42.059 0.195 0.000 0.894 272 L HN 0.321 nan 8.230 nan 0.000 0.432 273 D N -0.487 120.049 120.400 0.226 0.000 2.116 273 D HA -0.284 4.356 4.640 -0.000 0.000 0.193 273 D C 1.745 178.149 176.300 0.172 0.000 0.998 273 D CA 1.415 55.515 54.000 0.167 0.000 0.836 273 D CB -0.462 40.427 40.800 0.147 0.000 0.951 273 D HN 0.523 nan 8.370 nan 0.000 0.449 274 W N 0.996 122.317 121.300 0.035 0.000 2.321 274 W HA -0.256 4.404 4.660 -0.000 0.000 0.306 274 W C 1.711 178.152 176.519 -0.130 0.000 1.217 274 W CA 0.936 58.237 57.345 -0.073 0.000 1.257 274 W CB -0.771 28.602 29.460 -0.144 0.000 1.145 274 W HN -0.049 nan 8.180 nan 0.000 0.509 275 F N 1.546 121.458 119.950 -0.064 0.000 2.293 275 F HA -0.134 4.393 4.527 -0.000 0.000 0.297 275 F C 2.208 177.899 175.800 -0.181 0.000 1.089 275 F CA 1.675 59.560 58.000 -0.192 0.000 1.377 275 F CB -0.697 38.302 39.000 -0.001 0.000 1.051 275 F HN -0.250 nan 8.300 nan 0.000 0.511 276 D N -0.207 120.235 120.400 0.071 0.000 2.310 276 D HA -0.083 4.557 4.640 -0.000 0.000 0.212 276 D C 1.388 177.651 176.300 -0.062 0.000 0.965 276 D CA 0.709 54.718 54.000 0.014 0.000 0.879 276 D CB -0.215 40.607 40.800 0.037 0.000 0.921 276 D HN 0.046 nan 8.370 nan 0.000 0.510 277 R N 0.386 120.802 120.500 -0.141 0.000 3.081 277 R HA 0.265 4.605 4.340 -0.000 0.000 0.280 277 R C 0.506 176.661 176.300 -0.240 0.000 1.372 277 R CA -0.224 55.772 56.100 -0.174 0.000 1.242 277 R CB -1.042 29.151 30.300 -0.178 0.000 1.316 277 R HN 0.095 nan 8.270 nan 0.000 0.585 278 L N -1.665 119.438 121.223 -0.201 0.000 7.381 278 L HA -0.323 4.017 4.340 -0.000 0.000 0.062 278 L C -1.743 174.964 176.870 -0.272 0.000 1.359 278 L CA 0.433 55.163 54.840 -0.183 0.000 1.578 278 L CB -1.239 40.745 42.059 -0.124 0.000 2.791 278 L HN 0.184 nan 8.230 nan 0.000 1.130 279 P HA 0.125 nan 4.420 nan 0.000 0.272 279 P C -2.145 175.102 177.300 -0.088 0.000 1.230 279 P CA -0.964 62.067 63.100 -0.115 0.000 0.788 279 P CB 0.197 31.846 31.700 -0.085 0.000 0.949 280 P HA -0.094 nan 4.420 nan 0.000 0.225 280 P C 0.981 178.246 177.300 -0.058 0.000 1.148 280 P CA 0.771 63.835 63.100 -0.059 0.000 0.779 280 P CB 0.031 31.702 31.700 -0.048 0.000 0.780 281 L N -1.625 119.575 121.223 -0.039 0.000 2.463 281 L HA 0.336 4.676 4.340 -0.000 0.000 0.219 281 L C 2.025 178.911 176.870 0.027 0.000 1.088 281 L CA 0.765 55.595 54.840 -0.018 0.000 0.849 281 L CB -1.014 41.060 42.059 0.025 0.000 1.012 281 L HN -0.173 nan 8.230 nan 0.000 0.468 282 A N -1.567 121.260 122.820 0.012 0.000 2.016 282 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 282 A C 2.042 179.641 177.584 0.026 0.000 1.162 282 A CA 1.642 53.707 52.037 0.045 0.000 0.662 282 A CB -0.711 18.266 19.000 -0.039 0.000 0.812 282 A HN 0.410 nan 8.150 nan 0.000 0.450 283 T N 0.178 114.706 114.554 -0.044 0.000 3.023 283 T HA -0.028 4.322 4.350 -0.000 0.000 0.266 283 T C 1.718 176.356 174.700 -0.102 0.000 1.093 283 T CA 0.933 62.988 62.100 -0.075 0.000 1.129 283 T CB -0.035 68.781 68.868 -0.087 0.000 0.899 283 T HN 0.341 nan 8.240 nan 0.000 0.491 284 K N 0.352 120.664 120.400 -0.146 0.000 2.211 284 K HA -0.037 4.283 4.320 -0.000 0.000 0.203 284 K C 1.357 177.715 176.600 -0.403 0.000 1.050 284 K CA 0.968 57.062 56.287 -0.322 0.000 0.945 284 K CB -0.170 32.038 32.500 -0.487 0.000 0.732 284 K HN 0.573 nan 8.250 nan 0.000 0.451 285 W N 0.851 122.159 121.300 0.014 0.000 2.975 285 W HA 0.193 4.853 4.660 -0.000 0.000 0.316 285 W C 1.981 178.548 176.519 0.080 0.000 1.131 285 W CA -0.679 56.699 57.345 0.056 0.000 1.624 285 W CB 0.341 29.824 29.460 0.037 0.000 1.038 285 W HN -0.041 nan 8.180 nan 0.000 0.571 286 K N 0.980 121.491 120.400 0.185 0.000 2.089 286 K HA -0.190 4.129 4.320 -0.000 0.000 0.210 286 K C 2.084 178.709 176.600 0.041 0.000 1.048 286 K CA 1.982 58.324 56.287 0.092 0.000 0.926 286 K CB -0.611 31.858 32.500 -0.052 0.000 0.714 286 K HN 0.254 nan 8.250 nan 0.000 0.448 287 G N 0.101 108.890 108.800 -0.018 0.000 2.408 287 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.217 287 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.217 287 G C 1.305 176.375 174.900 0.283 0.000 1.150 287 G CA 0.486 45.672 45.100 0.143 0.000 0.776 287 G HN 0.382 nan 8.290 nan 0.000 0.542 288 F N 0.836 120.917 119.950 0.219 0.000 2.187 288 F HA 0.228 4.754 4.527 -0.000 0.000 0.295 288 F C 2.442 178.344 175.800 0.170 0.000 1.091 288 F CA 0.724 58.864 58.000 0.233 0.000 1.308 288 F CB -0.059 39.170 39.000 0.382 0.000 1.030 288 F HN 0.005 nan 8.300 nan 0.000 0.487 289 L N -0.410 121.058 121.223 0.408 0.000 1.994 289 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 289 L C 2.472 179.418 176.870 0.127 0.000 1.071 289 L CA 0.823 55.814 54.840 0.251 0.000 0.745 289 L CB -0.876 41.326 42.059 0.237 0.000 0.892 289 L HN 0.192 nan 8.230 nan 0.000 0.431 290 L N 0.117 121.428 121.223 0.147 0.000 2.131 290 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 290 L C 2.339 179.240 176.870 0.052 0.000 1.092 290 L CA 2.007 56.919 54.840 0.120 0.000 0.759 290 L CB -1.311 40.847 42.059 0.166 0.000 0.903 290 L HN 0.311 nan 8.230 nan 0.000 0.435 291 G N -0.898 107.915 108.800 0.023 0.000 2.394 291 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.215 291 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.215 291 G C 1.679 176.493 174.900 -0.143 0.000 1.165 291 G CA 0.881 45.948 45.100 -0.055 0.000 0.784 291 G HN 0.562 nan 8.290 nan 0.000 0.535 292 S N 0.490 116.062 115.700 -0.214 0.000 2.406 292 S HA 0.062 4.531 4.470 -0.000 0.000 0.228 292 S C 2.284 176.801 174.600 -0.138 0.000 1.020 292 S CA 0.627 58.691 58.200 -0.225 0.000 0.965 292 S CB -0.262 62.769 63.200 -0.281 0.000 0.798 292 S HN 0.329 nan 8.310 nan 0.000 0.488 293 I N 1.343 121.863 120.570 -0.083 0.000 2.252 293 I HA -0.119 4.050 4.170 -0.000 0.000 0.245 293 I C 2.109 178.153 176.117 -0.121 0.000 1.102 293 I CA 1.046 62.303 61.300 -0.072 0.000 1.385 293 I CB -0.308 37.684 38.000 -0.013 0.000 1.064 293 I HN 0.272 nan 8.210 nan 0.000 0.414 294 I N 0.873 121.380 120.570 -0.105 0.000 2.394 294 I HA -0.141 4.029 4.170 -0.000 0.000 0.251 294 I C 2.669 178.678 176.117 -0.180 0.000 1.136 294 I CA 1.399 62.623 61.300 -0.126 0.000 1.425 294 I CB -1.881 36.068 38.000 -0.086 0.000 1.079 294 I HN 0.214 nan 8.210 nan 0.000 0.425 295 G N 0.902 109.591 108.800 -0.184 0.000 2.432 295 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 295 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 295 G C 1.697 176.415 174.900 -0.304 0.000 1.135 295 G CA 0.441 45.414 45.100 -0.211 0.000 0.767 295 G HN 0.254 nan 8.290 nan 0.000 0.550 296 I N 0.421 120.776 120.570 -0.359 0.000 2.333 296 I HA 0.066 4.236 4.170 -0.000 0.000 0.246 296 I C 2.630 178.292 176.117 -0.759 0.000 1.106 296 I CA 0.519 61.463 61.300 -0.593 0.000 1.411 296 I CB -0.192 37.488 38.000 -0.532 0.000 1.082 296 I HN 0.076 nan 8.210 nan 0.000 0.420 297 L N -0.590 120.304 121.223 -0.548 0.000 2.191 297 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 297 L C 2.377 178.996 176.870 -0.419 0.000 1.103 297 L CA 0.932 55.456 54.840 -0.527 0.000 0.769 297 L CB -0.574 41.328 42.059 -0.260 0.000 0.908 297 L HN 0.146 nan 8.230 nan 0.000 0.438 298 S N -0.054 115.444 115.700 -0.335 0.000 2.423 298 S HA -0.047 4.423 4.470 -0.000 0.000 0.231 298 S C 1.892 176.356 174.600 -0.226 0.000 1.014 298 S CA 0.886 58.949 58.200 -0.228 0.000 0.965 298 S CB -0.143 62.946 63.200 -0.184 0.000 0.785 298 S HN 0.351 nan 8.310 nan 0.000 0.495 299 L N 0.095 121.101 121.223 -0.361 0.000 2.217 299 L HA 0.065 4.405 4.340 -0.000 0.000 0.211 299 L C 0.045 176.879 176.870 -0.060 0.000 1.107 299 L CA 0.266 54.937 54.840 -0.281 0.000 0.783 299 L CB -0.438 41.337 42.059 -0.473 0.000 0.919 299 L HN 0.220 nan 8.230 nan 0.000 0.442 300 F N 2.303 122.153 119.950 -0.166 0.000 2.543 300 F HA 0.145 4.672 4.527 -0.000 0.000 0.375 300 F C -1.462 174.283 175.800 -0.091 0.000 1.075 300 F CA -3.558 54.378 58.000 -0.108 0.000 1.225 300 F CB -0.532 38.406 39.000 -0.103 0.000 1.099 300 F HN -0.113 nan 8.300 nan 0.000 0.561 301 P HA 0.166 nan 4.420 nan 0.000 0.252 301 P C -0.698 176.611 177.300 0.015 0.000 1.635 301 P CA 0.344 63.476 63.100 0.053 0.000 1.206 301 P CB 0.237 31.967 31.700 0.051 0.000 1.911 302 L N 4.451 125.647 121.223 -0.045 0.000 2.765 302 L HA 0.319 4.659 4.340 -0.000 0.000 0.254 302 L C -2.571 174.128 176.870 -0.285 0.000 0.939 302 L CA -1.477 53.241 54.840 -0.204 0.000 0.949 302 L CB 2.478 44.435 42.059 -0.171 0.000 1.521 302 L HN -0.036 nan 8.230 nan 0.000 0.434 303 P HA 0.243 nan 4.420 nan 0.000 0.231 303 P C -0.010 177.097 177.300 -0.323 0.000 1.811 303 P CA -0.118 62.757 63.100 -0.375 0.000 1.051 303 P CB -0.131 31.309 31.700 -0.432 0.000 1.951 304 L N 0.119 121.214 121.223 -0.212 0.000 2.766 304 L HA 0.329 4.669 4.340 -0.000 0.000 0.242 304 L C 0.926 177.740 176.870 -0.094 0.000 1.136 304 L CA 0.097 54.850 54.840 -0.144 0.000 0.933 304 L CB -0.952 41.041 42.059 -0.110 0.000 1.241 304 L HN 0.030 nan 8.230 nan 0.000 0.522 305 T N -4.190 110.306 114.554 -0.097 0.000 2.768 305 T HA 0.747 5.097 4.350 -0.000 0.000 0.268 305 T C -0.682 173.976 174.700 -0.069 0.000 0.969 305 T CA -0.362 61.689 62.100 -0.082 0.000 1.008 305 T CB 1.487 70.296 68.868 -0.100 0.000 1.371 305 T HN 0.073 nan 8.240 nan 0.000 0.587 306 D N -1.271 119.086 120.400 -0.071 0.000 10.579 306 D HA -0.073 4.567 4.640 -0.000 0.000 0.361 306 D C 1.304 177.567 176.300 -0.062 0.000 3.052 306 D CA 1.203 55.160 54.000 -0.070 0.000 2.480 306 D CB -1.154 39.620 40.800 -0.043 0.000 1.162 306 D HN 0.947 nan 8.370 nan 0.000 0.997 307 G N -0.024 108.723 108.800 -0.088 0.000 2.599 307 G HA2 0.092 4.052 3.960 -0.000 0.000 0.219 307 G HA3 0.092 4.052 3.960 -0.000 0.000 0.219 307 G C 1.186 176.101 174.900 0.025 0.000 1.193 307 G CA 2.453 47.506 45.100 -0.078 0.000 0.778 307 G HN 1.645 nan 8.290 nan 0.000 0.589 308 G N -1.330 107.507 108.800 0.062 0.000 2.672 308 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.197 308 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.197 308 G C 0.848 175.816 174.900 0.113 0.000 0.995 308 G CA 0.822 45.968 45.100 0.077 0.000 0.754 308 G HN 0.324 nan 8.290 nan 0.000 0.505 309 D N 1.860 122.352 120.400 0.153 0.000 2.092 309 D HA -0.145 4.495 4.640 -0.000 0.000 0.193 309 D C 2.437 178.829 176.300 0.153 0.000 0.994 309 D CA 1.678 55.778 54.000 0.166 0.000 0.828 309 D CB -0.198 40.733 40.800 0.219 0.000 0.963 309 D HN 0.564 nan 8.370 nan 0.000 0.450 310 N N 1.819 120.600 118.700 0.134 0.000 2.192 310 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 310 N C 1.725 177.325 175.510 0.150 0.000 1.013 310 N CA 1.499 54.625 53.050 0.127 0.000 0.863 310 N CB -0.544 37.988 38.487 0.074 0.000 0.990 310 N HN 0.129 nan 8.380 nan 0.000 0.430 311 A N 1.001 123.891 122.820 0.116 0.000 1.898 311 A HA 0.043 4.363 4.320 -0.000 0.000 0.216 311 A C 2.535 180.265 177.584 0.243 0.000 1.181 311 A CA 1.419 53.538 52.037 0.136 0.000 0.620 311 A CB -0.643 18.401 19.000 0.074 0.000 0.819 311 A HN 0.167 nan 8.150 nan 0.000 0.442 312 V N -0.013 120.029 119.914 0.214 0.000 2.427 312 V HA -0.118 4.002 4.120 -0.000 0.000 0.248 312 V C 1.720 178.038 176.094 0.374 0.000 1.051 312 V CA 1.130 63.596 62.300 0.277 0.000 1.048 312 V CB -0.752 31.216 31.823 0.243 0.000 0.666 312 V HN 0.507 nan 8.190 nan 0.000 0.456 313 L N -0.889 120.514 121.223 0.300 0.000 2.922 313 L HA 0.049 4.389 4.340 -0.000 0.000 0.244 313 L C 1.020 178.098 176.870 0.346 0.000 1.324 313 L CA 0.502 55.516 54.840 0.291 0.000 1.172 313 L CB -0.406 41.777 42.059 0.207 0.000 1.545 313 L HN 0.555 nan 8.230 nan 0.000 0.438 314 W N -1.536 119.827 121.300 0.106 0.000 4.317 314 W HA 0.171 4.831 4.660 -0.000 0.000 0.165 314 W C 1.978 178.486 176.519 -0.018 0.000 1.029 314 W CA 0.686 58.059 57.345 0.047 0.000 1.599 314 W CB 0.026 29.506 29.460 0.032 0.000 0.562 314 W HN 0.020 nan 8.180 nan 0.000 0.988 315 A N 1.406 124.230 122.820 0.007 0.000 1.849 315 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 315 A C 0.668 177.961 177.584 -0.484 0.000 1.202 315 A CA 1.703 53.506 52.037 -0.389 0.000 0.629 315 A CB -1.543 17.145 19.000 -0.521 0.000 0.834 315 A HN 0.394 nan 8.150 nan 0.000 0.447 316 F N -1.184 118.738 119.950 -0.046 0.000 2.421 316 F HA 0.585 5.112 4.527 -0.000 0.000 0.337 316 F C 0.600 176.398 175.800 -0.004 0.000 1.105 316 F CA -0.843 57.131 58.000 -0.044 0.000 1.049 316 F CB 1.063 40.053 39.000 -0.016 0.000 1.139 316 F HN 0.099 nan 8.300 nan 0.000 0.479 317 N N -0.606 118.199 118.700 0.175 0.000 2.445 317 N HA -0.019 4.721 4.740 -0.000 0.000 0.204 317 N C 0.044 175.544 175.510 -0.018 0.000 1.098 317 N CA 0.082 53.203 53.050 0.117 0.000 0.859 317 N CB 0.032 38.597 38.487 0.130 0.000 1.249 317 N HN 0.542 nan 8.380 nan 0.000 0.462 318 S N 1.432 117.100 115.700 -0.053 0.000 2.714 318 S HA -0.071 4.399 4.470 -0.000 0.000 0.318 318 S C 0.080 174.535 174.600 -0.241 0.000 1.219 318 S CA -0.353 57.785 58.200 -0.103 0.000 1.175 318 S CB -0.327 62.842 63.200 -0.052 0.000 0.961 318 S HN 0.184 nan 8.310 nan 0.000 0.518 319 Q N 3.016 122.731 119.800 -0.143 0.000 2.274 319 Q HA 0.304 4.644 4.340 -0.000 0.000 0.280 319 Q C 0.300 176.208 176.000 -0.154 0.000 1.047 319 Q CA 0.153 55.866 55.803 -0.149 0.000 0.907 319 Q CB 0.522 29.233 28.738 -0.046 0.000 1.171 319 Q HN 0.953 nan 8.270 nan 0.000 0.381 320 S N 0.981 116.547 115.700 -0.223 0.000 2.627 320 S HA 0.426 4.896 4.470 -0.000 0.000 0.283 320 S C -0.834 173.803 174.600 0.061 0.000 1.127 320 S CA -1.171 56.958 58.200 -0.119 0.000 0.863 320 S CB 0.922 63.987 63.200 -0.224 0.000 1.121 320 S HN 0.535 nan 8.310 nan 0.000 0.479 321 H N 0.694 119.768 119.070 0.008 0.000 2.972 321 H HA 0.180 4.735 4.556 -0.000 0.000 0.343 321 H C 0.748 176.129 175.328 0.087 0.000 1.054 321 H CA -0.662 55.424 56.048 0.063 0.000 1.412 321 H CB -0.101 29.711 29.762 0.084 0.000 1.385 321 H HN 0.698 nan 8.280 nan 0.000 0.600 322 F N 2.055 122.054 119.950 0.082 0.000 2.192 322 F HA -0.300 4.226 4.527 -0.000 0.000 0.301 322 F C 2.345 178.184 175.800 0.065 0.000 1.079 322 F CA 1.821 59.840 58.000 0.032 0.000 1.303 322 F CB -0.103 38.890 39.000 -0.013 0.000 1.024 322 F HN 0.591 nan 8.300 nan 0.000 0.494 323 S N -1.784 114.114 115.700 0.330 0.000 2.387 323 S HA -0.149 4.321 4.470 -0.000 0.000 0.226 323 S C 1.901 176.614 174.600 0.189 0.000 1.026 323 S CA 1.367 59.715 58.200 0.245 0.000 0.972 323 S CB -1.082 62.244 63.200 0.209 0.000 0.814 323 S HN 0.378 nan 8.310 nan 0.000 0.477 324 T N 3.230 117.914 114.554 0.216 0.000 2.867 324 T HA 0.151 4.501 4.350 -0.000 0.000 0.268 324 T C 1.716 176.609 174.700 0.322 0.000 1.057 324 T CA 1.120 63.364 62.100 0.240 0.000 1.136 324 T CB -0.514 68.515 68.868 0.269 0.000 0.874 324 T HN 0.283 nan 8.240 nan 0.000 0.466 325 L N 0.621 121.979 121.223 0.224 0.000 1.989 325 L HA -0.082 4.258 4.340 -0.000 0.000 0.211 325 L C 2.435 179.408 176.870 0.171 0.000 1.071 325 L CA 1.081 56.038 54.840 0.196 0.000 0.749 325 L CB -0.612 41.357 42.059 -0.150 0.000 0.890 325 L HN 0.230 nan 8.230 nan 0.000 0.431 326 I N -0.354 120.266 120.570 0.083 0.000 2.493 326 I HA -0.246 3.923 4.170 -0.000 0.000 0.254 326 I C 2.424 178.659 176.117 0.197 0.000 1.160 326 I CA 1.123 62.520 61.300 0.162 0.000 1.445 326 I CB -1.004 37.066 38.000 0.117 0.000 1.086 326 I HN 0.308 nan 8.210 nan 0.000 0.433 327 L N 0.638 121.950 121.223 0.150 0.000 2.109 327 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 327 L C 2.423 179.336 176.870 0.072 0.000 1.086 327 L CA 1.529 56.429 54.840 0.101 0.000 0.760 327 L CB -0.320 41.792 42.059 0.089 0.000 0.910 327 L HN 0.036 nan 8.230 nan 0.000 0.437 328 V N -0.327 119.642 119.914 0.091 0.000 2.488 328 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 328 V C 2.331 178.470 176.094 0.074 0.000 1.046 328 V CA 1.576 63.876 62.300 -0.001 0.000 1.053 328 V CB -0.792 30.921 31.823 -0.184 0.000 0.679 328 V HN 0.448 nan 8.190 nan 0.000 0.458 329 F N 0.863 120.839 119.950 0.042 0.000 2.069 329 F HA -0.277 4.250 4.527 -0.000 0.000 0.298 329 F C 2.460 178.319 175.800 0.099 0.000 1.113 329 F CA 2.324 60.364 58.000 0.068 0.000 1.214 329 F CB -0.611 38.409 39.000 0.034 0.000 0.978 329 F HN 0.146 nan 8.300 nan 0.000 0.474 330 C N 1.271 120.343 119.300 -0.380 0.000 2.429 330 C HA -0.066 4.394 4.460 -0.000 0.000 0.277 330 C C 3.120 178.000 174.990 -0.183 0.000 1.262 330 C CA 1.136 59.889 59.018 -0.441 0.000 1.733 330 C CB -1.994 25.639 27.740 -0.179 0.000 2.010 330 C HN 0.783 nan 8.230 nan 0.000 0.483 331 G N 0.311 109.061 108.800 -0.083 0.000 2.446 331 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 331 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 331 G C 1.818 176.701 174.900 -0.029 0.000 1.168 331 G CA 0.623 45.700 45.100 -0.037 0.000 0.771 331 G HN 0.597 nan 8.290 nan 0.000 0.551 332 R N -0.966 119.516 120.500 -0.030 0.000 2.073 332 R HA 0.087 4.427 4.340 -0.000 0.000 0.229 332 R C 2.346 178.656 176.300 0.017 0.000 1.120 332 R CA 0.859 56.955 56.100 -0.006 0.000 0.967 332 R CB -0.603 29.705 30.300 0.013 0.000 0.862 332 R HN 0.387 nan 8.270 nan 0.000 0.436 333 F N 1.670 121.516 119.950 -0.174 0.000 2.192 333 F HA -0.218 4.309 4.527 -0.000 0.000 0.301 333 F C 1.789 177.551 175.800 -0.062 0.000 1.079 333 F CA 1.409 59.325 58.000 -0.140 0.000 1.303 333 F CB 0.096 38.831 39.000 -0.443 0.000 1.024 333 F HN -0.058 nan 8.300 nan 0.000 0.494 334 L N -0.998 120.290 121.223 0.107 0.000 2.145 334 L HA -0.108 4.232 4.340 -0.000 0.000 0.201 334 L C 2.309 179.183 176.870 0.008 0.000 1.075 334 L CA 0.606 55.480 54.840 0.056 0.000 0.773 334 L CB -0.723 41.360 42.059 0.040 0.000 0.936 334 L HN 0.099 nan 8.230 nan 0.000 0.451 335 L N 0.137 121.363 121.223 0.006 0.000 2.191 335 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 335 L C 2.813 179.687 176.870 0.006 0.000 1.103 335 L CA 1.742 56.585 54.840 0.005 0.000 0.769 335 L CB -0.746 41.309 42.059 -0.007 0.000 0.908 335 L HN 0.505 nan 8.230 nan 0.000 0.438 336 T N -2.424 112.127 114.554 -0.005 0.000 2.732 336 T HA -0.130 4.219 4.350 -0.000 0.000 0.261 336 T C 1.852 176.550 174.700 -0.003 0.000 1.040 336 T CA 0.742 62.848 62.100 0.010 0.000 1.145 336 T CB -0.573 68.316 68.868 0.035 0.000 0.866 336 T HN 0.208 nan 8.240 nan 0.000 0.427 337 L N -0.059 121.112 121.223 -0.087 0.000 2.079 337 L HA -0.017 4.323 4.340 -0.000 0.000 0.210 337 L C 2.714 179.589 176.870 0.009 0.000 1.081 337 L CA 0.999 55.764 54.840 -0.125 0.000 0.752 337 L CB -0.704 41.223 42.059 -0.220 0.000 0.896 337 L HN 0.207 nan 8.230 nan 0.000 0.433 338 I N -0.893 119.703 120.570 0.044 0.000 2.394 338 I HA -0.249 3.921 4.170 -0.000 0.000 0.251 338 I C 2.484 178.633 176.117 0.054 0.000 1.136 338 I CA 1.175 62.551 61.300 0.126 0.000 1.425 338 I CB -0.481 37.593 38.000 0.124 0.000 1.079 338 I HN 0.290 nan 8.210 nan 0.000 0.425 339 C N -1.289 118.032 119.300 0.035 0.000 2.475 339 C HA -0.109 4.351 4.460 -0.000 0.000 0.279 339 C C 2.697 177.695 174.990 0.012 0.000 1.322 339 C CA 0.263 59.296 59.018 0.025 0.000 1.734 339 C CB -0.782 26.980 27.740 0.038 0.000 2.005 339 C HN 0.550 nan 8.230 nan 0.000 0.495 340 Y N 1.490 121.735 120.300 -0.091 0.000 2.301 340 Y HA 0.177 4.727 4.550 -0.000 0.000 0.295 340 Y C 2.381 178.200 175.900 -0.135 0.000 1.119 340 Y CA 1.495 59.541 58.100 -0.091 0.000 1.162 340 Y CB -0.793 37.622 38.460 -0.075 0.000 1.046 340 Y HN 0.202 nan 8.280 nan 0.000 0.538 341 G N -0.641 108.077 108.800 -0.137 0.000 2.479 341 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.220 341 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.220 341 G C 1.666 176.202 174.900 -0.605 0.000 1.115 341 G CA 1.185 46.169 45.100 -0.194 0.000 0.757 341 G HN 0.505 nan 8.290 nan 0.000 0.560 342 S N -0.423 114.673 115.700 -1.007 0.000 2.555 342 S HA 0.315 4.785 4.470 -0.000 0.000 0.230 342 S C 1.783 176.151 174.600 -0.386 0.000 0.978 342 S CA 0.924 58.303 58.200 -1.367 0.000 0.934 342 S CB -0.272 62.367 63.200 -0.935 0.000 0.766 342 S HN 1.559 nan 8.310 nan 0.000 0.533 343 G N 0.675 109.294 108.800 -0.302 0.000 2.182 343 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.248 343 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.248 343 G C 0.145 175.043 174.900 -0.004 0.000 1.042 343 G CA -0.067 44.946 45.100 -0.146 0.000 0.775 343 G HN 1.220 nan 8.290 nan 0.000 0.501 344 A N -0.334 122.427 122.820 -0.099 0.000 2.322 344 A HA 0.736 5.055 4.320 -0.000 0.000 0.269 344 A C 0.890 178.316 177.584 -0.262 0.000 1.094 344 A CA -0.509 51.296 52.037 -0.386 0.000 0.807 344 A CB 0.417 19.281 19.000 -0.226 0.000 1.047 344 A HN 0.867 nan 8.150 nan 0.000 0.487 345 I N 2.887 123.279 120.570 -0.296 0.000 2.849 345 I HA 0.003 4.173 4.170 -0.000 0.000 0.288 345 I C 1.268 177.373 176.117 -0.021 0.000 1.156 345 I CA 0.453 61.682 61.300 -0.118 0.000 1.394 345 I CB -0.593 37.342 38.000 -0.109 0.000 1.462 345 I HN 0.804 nan 8.210 nan 0.000 0.587 346 G N 4.150 113.005 108.800 0.091 0.000 3.374 346 G HA2 0.732 4.692 3.960 -0.000 0.000 0.200 346 G HA3 0.732 4.692 3.960 -0.000 0.000 0.200 346 G C 0.151 175.147 174.900 0.161 0.000 1.801 346 G CA -0.011 45.197 45.100 0.179 0.000 0.842 346 G HN 0.839 nan 8.290 nan 0.000 0.688 347 G N -1.277 107.637 108.800 0.190 0.000 3.160 347 G HA2 0.078 4.038 3.960 -0.000 0.000 0.573 347 G HA3 0.078 4.038 3.960 -0.000 0.000 0.573 347 G C -0.162 174.801 174.900 0.105 0.000 1.286 347 G CA -0.118 45.077 45.100 0.159 0.000 1.151 347 G HN 0.768 nan 8.290 nan 0.000 0.555 348 I N 2.069 122.687 120.570 0.080 0.000 4.018 348 I HA 0.329 4.499 4.170 -0.000 0.000 0.337 348 I C 1.812 177.939 176.117 0.017 0.000 1.327 348 I CA -0.427 60.840 61.300 -0.055 0.000 1.100 348 I CB 0.016 37.831 38.000 -0.308 0.000 1.025 348 I HN 0.523 nan 8.210 nan 0.000 0.396 349 F N 1.120 121.150 119.950 0.134 0.000 2.074 349 F HA -0.110 4.417 4.527 -0.000 0.000 0.293 349 F C 2.597 178.498 175.800 0.168 0.000 1.116 349 F CA 1.970 60.088 58.000 0.196 0.000 1.212 349 F CB -0.524 38.698 39.000 0.371 0.000 0.998 349 F HN 0.080 nan 8.300 nan 0.000 0.471 350 A N 0.300 123.415 122.820 0.493 0.000 1.883 350 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 350 A C -0.274 177.394 177.584 0.141 0.000 1.186 350 A CA 1.954 54.187 52.037 0.325 0.000 0.624 350 A CB -2.124 17.108 19.000 0.388 0.000 0.822 350 A HN 0.251 nan 8.150 nan 0.000 0.444 351 P HA -0.145 nan 4.420 nan 0.000 0.216 351 P C 1.560 178.838 177.300 -0.036 0.000 1.150 351 P CA 1.333 64.449 63.100 0.027 0.000 0.837 351 P CB -0.175 31.535 31.700 0.017 0.000 0.786 352 M N -2.345 117.192 119.600 -0.105 0.000 2.476 352 M HA -0.069 4.411 4.480 -0.000 0.000 0.262 352 M C 1.449 177.683 176.300 -0.111 0.000 1.079 352 M CA 0.977 56.135 55.300 -0.238 0.000 1.104 352 M CB -0.445 31.915 32.600 -0.400 0.000 1.409 352 M HN -0.029 nan 8.290 nan 0.000 0.467 353 L N -0.358 120.848 121.223 -0.029 0.000 2.102 353 L HA 0.094 4.434 4.340 -0.000 0.000 0.202 353 L C 2.568 179.463 176.870 0.040 0.000 1.076 353 L CA 1.643 56.479 54.840 -0.007 0.000 0.761 353 L CB -1.362 40.682 42.059 -0.024 0.000 0.921 353 L HN 0.219 nan 8.230 nan 0.000 0.444 354 G N -0.538 108.298 108.800 0.061 0.000 2.418 354 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 354 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 354 G C 1.684 176.657 174.900 0.122 0.000 1.158 354 G CA 0.960 46.118 45.100 0.096 0.000 0.771 354 G HN 0.356 nan 8.290 nan 0.000 0.545 355 I N 1.280 121.923 120.570 0.122 0.000 2.142 355 I HA -0.169 4.001 4.170 -0.000 0.000 0.240 355 I C 3.325 179.598 176.117 0.260 0.000 1.078 355 I CA 1.026 62.467 61.300 0.236 0.000 1.343 355 I CB -0.309 37.826 38.000 0.224 0.000 1.046 355 I HN 0.248 nan 8.210 nan 0.000 0.405 356 A N 0.970 123.902 122.820 0.186 0.000 1.908 356 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 356 A C 2.516 180.208 177.584 0.179 0.000 1.181 356 A CA 2.398 54.580 52.037 0.240 0.000 0.627 356 A CB -0.890 18.098 19.000 -0.021 0.000 0.818 356 A HN 0.556 nan 8.150 nan 0.000 0.445 357 S N 0.351 116.101 115.700 0.084 0.000 2.356 357 S HA -0.152 4.318 4.470 -0.000 0.000 0.223 357 S C 1.885 176.427 174.600 -0.098 0.000 1.032 357 S CA 1.432 59.625 58.200 -0.012 0.000 1.005 357 S CB -0.907 62.295 63.200 0.003 0.000 0.867 357 S HN 0.480 nan 8.310 nan 0.000 0.449 358 I N 1.588 122.160 120.570 0.003 0.000 2.194 358 I HA -0.171 3.999 4.170 -0.000 0.000 0.246 358 I C 2.483 178.542 176.117 -0.097 0.000 1.093 358 I CA 1.300 62.606 61.300 0.010 0.000 1.355 358 I CB -0.588 37.530 38.000 0.197 0.000 1.046 358 I HN 0.231 nan 8.210 nan 0.000 0.413 359 V N 0.798 120.660 119.914 -0.085 0.000 2.358 359 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 359 V C 2.619 178.656 176.094 -0.094 0.000 1.047 359 V CA 2.130 64.291 62.300 -0.231 0.000 1.035 359 V CB -0.736 30.896 31.823 -0.318 0.000 0.658 359 V HN 0.591 nan 8.190 nan 0.000 0.452 360 S N -0.226 115.526 115.700 0.088 0.000 2.402 360 S HA -0.143 4.327 4.470 -0.000 0.000 0.229 360 S C 1.939 176.535 174.600 -0.006 0.000 1.021 360 S CA 1.501 59.778 58.200 0.129 0.000 0.974 360 S CB -0.501 62.801 63.200 0.171 0.000 0.800 360 S HN 0.305 nan 8.310 nan 0.000 0.484 361 V N 2.507 122.342 119.914 -0.131 0.000 2.307 361 V HA -0.073 4.047 4.120 -0.000 0.000 0.245 361 V C 3.159 179.176 176.094 -0.128 0.000 1.045 361 V CA 1.668 63.856 62.300 -0.186 0.000 1.024 361 V CB -1.453 30.160 31.823 -0.349 0.000 0.651 361 V HN 0.656 nan 8.190 nan 0.000 0.449 362 A N -0.613 122.084 122.820 -0.206 0.000 1.902 362 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 362 A C 2.220 179.793 177.584 -0.018 0.000 1.181 362 A CA 1.967 53.826 52.037 -0.296 0.000 0.623 362 A CB -0.471 18.169 19.000 -0.600 0.000 0.818 362 A HN 0.407 nan 8.150 nan 0.000 0.443 363 M N -0.502 119.104 119.600 0.011 0.000 2.229 363 M HA -0.094 4.386 4.480 -0.000 0.000 0.264 363 M C 2.468 178.950 176.300 0.302 0.000 1.063 363 M CA 1.402 56.813 55.300 0.185 0.000 1.114 363 M CB -1.404 31.276 32.600 0.134 0.000 1.387 363 M HN 0.513 nan 8.290 nan 0.000 0.420 364 A N 0.523 123.440 122.820 0.162 0.000 1.845 364 A HA -0.174 4.145 4.320 -0.000 0.000 0.215 364 A C 2.275 179.986 177.584 0.211 0.000 1.195 364 A CA 1.553 53.677 52.037 0.145 0.000 0.616 364 A CB -0.677 18.350 19.000 0.045 0.000 0.832 364 A HN 0.416 nan 8.150 nan 0.000 0.443 365 R N -1.565 119.047 120.500 0.187 0.000 2.134 365 R HA -0.265 4.075 4.340 -0.000 0.000 0.248 365 R C 2.288 178.747 176.300 0.265 0.000 1.143 365 R CA 2.104 58.345 56.100 0.236 0.000 0.957 365 R CB -0.688 29.771 30.300 0.265 0.000 0.867 365 R HN 0.797 nan 8.270 nan 0.000 0.441 366 H N -0.425 118.761 119.070 0.194 0.000 2.389 366 H HA -0.074 4.482 4.556 -0.000 0.000 0.299 366 H C 1.662 176.983 175.328 -0.012 0.000 1.081 366 H CA 1.557 57.643 56.048 0.062 0.000 1.345 366 H CB -0.152 29.646 29.762 0.061 0.000 1.393 366 H HN 0.095 nan 8.280 nan 0.000 0.520 367 F N -0.866 119.088 119.950 0.007 0.000 2.259 367 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 367 F C 2.516 178.341 175.800 0.042 0.000 1.088 367 F CA 1.481 59.472 58.000 -0.016 0.000 1.358 367 F CB -0.308 38.667 39.000 -0.042 0.000 1.040 367 F HN 0.349 nan 8.300 nan 0.000 0.505 368 H N -0.380 118.768 119.070 0.131 0.000 2.524 368 H HA -0.064 4.492 4.556 -0.000 0.000 0.282 368 H C 2.074 177.391 175.328 -0.018 0.000 1.016 368 H CA 0.995 57.086 56.048 0.071 0.000 1.270 368 H CB -0.170 29.628 29.762 0.060 0.000 1.394 368 H HN 0.156 nan 8.280 nan 0.000 0.568 369 L N -0.138 120.982 121.223 -0.171 0.000 2.131 369 L HA -0.038 4.301 4.340 -0.000 0.000 0.206 369 L C 1.674 178.303 176.870 -0.402 0.000 1.087 369 L CA 1.311 55.973 54.840 -0.297 0.000 0.767 369 L CB -0.540 41.379 42.059 -0.233 0.000 0.917 369 L HN 0.385 nan 8.230 nan 0.000 0.441 370 L N -1.570 119.332 121.223 -0.534 0.000 2.202 370 L HA 0.006 4.346 4.340 -0.000 0.000 0.205 370 L C -0.083 176.161 176.870 -1.044 0.000 1.083 370 L CA 0.429 54.730 54.840 -0.897 0.000 0.790 370 L CB -0.013 41.312 42.059 -1.224 0.000 0.942 370 L HN 0.029 nan 8.230 nan 0.000 0.452 371 F N -0.529 119.416 119.950 -0.009 0.000 2.902 371 F HA 0.339 4.865 4.527 -0.000 0.000 0.368 371 F C -2.020 173.837 175.800 0.096 0.000 1.202 371 F CA -1.684 56.360 58.000 0.073 0.000 1.109 371 F CB 0.859 39.975 39.000 0.194 0.000 1.418 371 F HN -0.251 nan 8.300 nan 0.000 0.527 372 P HA -0.017 nan 4.420 nan 0.000 0.234 372 P C 0.979 178.425 177.300 0.243 0.000 1.175 372 P CA 0.631 63.872 63.100 0.233 0.000 0.801 372 P CB 0.375 32.078 31.700 0.006 0.000 0.891 373 S N -1.360 114.460 115.700 0.199 0.000 2.701 373 S HA 0.125 4.595 4.470 -0.000 0.000 0.220 373 S C 1.360 176.058 174.600 0.163 0.000 0.954 373 S CA 0.077 58.374 58.200 0.161 0.000 0.936 373 S CB -0.544 62.737 63.200 0.136 0.000 0.777 373 S HN 0.186 nan 8.310 nan 0.000 0.518 374 Q N -0.219 119.696 119.800 0.191 0.000 2.043 374 Q HA 0.385 4.725 4.340 -0.000 0.000 0.219 374 Q C -0.671 175.387 176.000 0.096 0.000 0.762 374 Q CA -0.054 55.831 55.803 0.137 0.000 0.943 374 Q CB 1.097 29.921 28.738 0.144 0.000 1.194 374 Q HN 0.418 nan 8.270 nan 0.000 0.447 375 I N 1.298 121.959 120.570 0.151 0.000 2.948 375 I HA 0.200 4.370 4.170 -0.000 0.000 0.308 375 I C -2.231 173.924 176.117 0.064 0.000 1.478 375 I CA -1.754 59.604 61.300 0.097 0.000 0.843 375 I CB 0.854 38.915 38.000 0.102 0.000 2.100 375 I HN -0.163 nan 8.210 nan 0.000 0.625 376 P HA -0.154 nan 4.420 nan 0.000 0.216 376 P C 0.103 177.341 177.300 -0.103 0.000 1.157 376 P CA 1.612 64.730 63.100 0.030 0.000 0.880 376 P CB 0.378 32.106 31.700 0.047 0.000 0.791 377 E N -0.651 119.507 120.200 -0.070 0.000 2.113 377 E HA 0.121 4.471 4.350 -0.000 0.000 0.273 377 E C -1.688 174.806 176.600 -0.176 0.000 0.924 377 E CA -1.935 54.415 56.400 -0.085 0.000 0.764 377 E CB 1.017 30.772 29.700 0.091 0.000 1.104 377 E HN 0.220 nan 8.360 nan 0.000 0.406 378 P HA -0.102 nan 4.420 nan 0.000 0.229 378 P C 0.772 177.967 177.300 -0.175 0.000 1.160 378 P CA 0.568 63.550 63.100 -0.196 0.000 0.777 378 P CB 0.401 31.989 31.700 -0.186 0.000 0.814 379 A N -0.015 122.594 122.820 -0.351 0.000 2.067 379 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 379 A C 2.307 179.685 177.584 -0.343 0.000 1.156 379 A CA 0.844 52.578 52.037 -0.505 0.000 0.683 379 A CB -1.387 16.744 19.000 -1.448 0.000 0.808 379 A HN 0.027 nan 8.150 nan 0.000 0.455 380 V N -0.110 119.659 119.914 -0.242 0.000 2.287 380 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 380 V C 2.580 178.690 176.094 0.026 0.000 1.053 380 V CA 2.419 64.673 62.300 -0.077 0.000 1.027 380 V CB -0.629 31.194 31.823 0.000 0.000 0.646 380 V HN 0.761 nan 8.190 nan 0.000 0.447 381 M N 0.013 119.677 119.600 0.106 0.000 2.319 381 M HA -0.052 4.428 4.480 -0.000 0.000 0.265 381 M C 1.991 178.376 176.300 0.141 0.000 1.068 381 M CA 1.791 57.237 55.300 0.244 0.000 1.118 381 M CB -0.223 32.419 32.600 0.069 0.000 1.395 381 M HN 0.308 nan 8.290 nan 0.000 0.435 382 A N 0.447 123.318 122.820 0.086 0.000 2.067 382 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 382 A C 1.887 179.632 177.584 0.269 0.000 1.158 382 A CA 1.238 53.360 52.037 0.142 0.000 0.661 382 A CB -0.769 18.328 19.000 0.162 0.000 0.801 382 A HN 0.637 nan 8.150 nan 0.000 0.452 383 I N -1.123 119.537 120.570 0.149 0.000 2.494 383 I HA -0.072 4.098 4.170 -0.000 0.000 0.250 383 I C 2.904 179.026 176.117 0.009 0.000 1.112 383 I CA 0.691 62.033 61.300 0.071 0.000 1.438 383 I CB -0.358 37.620 38.000 -0.037 0.000 1.111 383 I HN 0.306 nan 8.210 nan 0.000 0.431 384 A N 1.107 123.916 122.820 -0.018 0.000 1.851 384 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 384 A C 2.122 179.661 177.584 -0.076 0.000 1.195 384 A CA 2.055 54.039 52.037 -0.088 0.000 0.622 384 A CB -1.439 17.465 19.000 -0.161 0.000 0.831 384 A HN 0.450 nan 8.150 nan 0.000 0.444 385 G N -1.287 107.501 108.800 -0.020 0.000 3.379 385 G HA2 0.273 4.233 3.960 -0.000 0.000 0.253 385 G HA3 0.273 4.233 3.960 -0.000 0.000 0.253 385 G C 0.968 175.694 174.900 -0.291 0.000 1.262 385 G CA 0.469 45.448 45.100 -0.201 0.000 0.959 385 G HN 0.520 nan 8.290 nan 0.000 0.524 386 M N 0.023 119.548 119.600 -0.126 0.000 2.334 386 M HA 0.182 4.662 4.480 -0.000 0.000 0.266 386 M C 1.777 177.996 176.300 -0.136 0.000 1.082 386 M CA 1.521 56.788 55.300 -0.054 0.000 1.141 386 M CB 0.435 33.078 32.600 0.071 0.000 1.380 386 M HN 0.149 nan 8.290 nan 0.000 0.440 387 G N -0.874 107.823 108.800 -0.172 0.000 3.899 387 G HA2 0.483 4.443 3.960 -0.000 0.000 0.293 387 G HA3 0.483 4.443 3.960 -0.000 0.000 0.293 387 G C 0.756 175.520 174.900 -0.226 0.000 1.054 387 G CA 0.322 45.333 45.100 -0.148 0.000 0.846 387 G HN 0.491 nan 8.290 nan 0.000 0.525 388 A N -0.042 122.511 122.820 -0.446 0.000 2.132 388 A HA 0.317 4.637 4.320 -0.000 0.000 0.213 388 A C 1.985 179.324 177.584 -0.409 0.000 1.154 388 A CA 0.276 52.011 52.037 -0.504 0.000 0.753 388 A CB -0.080 18.424 19.000 -0.828 0.000 0.826 388 A HN 0.393 nan 8.150 nan 0.000 0.469 389 L N -0.446 120.529 121.223 -0.414 0.000 2.044 389 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 389 L C 2.417 179.173 176.870 -0.190 0.000 1.075 389 L CA 1.207 55.953 54.840 -0.156 0.000 0.747 389 L CB -0.253 41.729 42.059 -0.128 0.000 0.903 389 L HN 0.257 nan 8.230 nan 0.000 0.435 390 V N 0.371 120.151 119.914 -0.223 0.000 2.255 390 V HA -0.330 3.790 4.120 -0.000 0.000 0.247 390 V C 2.829 178.851 176.094 -0.119 0.000 1.051 390 V CA 1.840 63.998 62.300 -0.237 0.000 1.018 390 V CB -0.931 30.770 31.823 -0.203 0.000 0.641 390 V HN 0.577 nan 8.190 nan 0.000 0.445 391 A N -0.246 122.529 122.820 -0.075 0.000 1.917 391 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 391 A C 2.377 179.967 177.584 0.010 0.000 1.182 391 A CA 2.580 54.607 52.037 -0.018 0.000 0.633 391 A CB -0.796 18.184 19.000 -0.034 0.000 0.819 391 A HN 0.619 nan 8.150 nan 0.000 0.448 392 A N -0.632 122.195 122.820 0.011 0.000 1.872 392 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 392 A C 2.454 180.079 177.584 0.068 0.000 1.187 392 A CA 2.381 54.460 52.037 0.069 0.000 0.614 392 A CB -1.354 17.720 19.000 0.123 0.000 0.826 392 A HN 0.758 nan 8.150 nan 0.000 0.442 393 T N -2.680 111.885 114.554 0.019 0.000 2.821 393 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 393 T C 1.441 176.141 174.700 0.000 0.000 1.046 393 T CA 1.667 63.774 62.100 0.011 0.000 1.139 393 T CB -0.427 68.406 68.868 -0.058 0.000 0.871 393 T HN 0.089 nan 8.240 nan 0.000 0.454 394 V N 0.945 120.857 119.914 -0.004 0.000 3.590 394 V HA 0.395 4.515 4.120 -0.000 0.000 0.265 394 V C 1.640 177.810 176.094 0.126 0.000 1.239 394 V CA 0.547 62.892 62.300 0.075 0.000 1.117 394 V CB -0.842 31.052 31.823 0.119 0.000 0.818 394 V HN 0.666 nan 8.190 nan 0.000 0.451 395 R N 0.155 120.712 120.500 0.094 0.000 3.922 395 R HA -0.214 4.126 4.340 -0.000 0.000 0.447 395 R C 0.312 176.668 176.300 0.093 0.000 1.035 395 R CA 0.872 57.030 56.100 0.097 0.000 1.289 395 R CB -1.549 28.817 30.300 0.110 0.000 1.906 395 R HN 0.565 nan 8.270 nan 0.000 0.540 396 A N 0.885 123.768 122.820 0.104 0.000 2.540 396 A HA 0.481 4.801 4.320 -0.000 0.000 0.340 396 A C -1.549 176.088 177.584 0.089 0.000 1.424 396 A CA -1.214 50.888 52.037 0.109 0.000 0.940 396 A CB 1.045 20.140 19.000 0.158 0.000 1.149 396 A HN 0.224 nan 8.150 nan 0.000 0.505 397 P HA -0.109 nan 4.420 nan 0.000 0.217 397 P C 1.581 178.903 177.300 0.036 0.000 1.154 397 P CA 0.292 63.415 63.100 0.037 0.000 0.841 397 P CB 0.237 31.952 31.700 0.025 0.000 0.790 398 L N 0.740 121.986 121.223 0.039 0.000 2.083 398 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 398 L C 2.318 179.212 176.870 0.040 0.000 1.083 398 L CA 2.891 57.749 54.840 0.029 0.000 0.752 398 L CB -1.484 40.590 42.059 0.025 0.000 0.899 398 L HN 0.139 nan 8.230 nan 0.000 0.433 399 T N -2.837 111.760 114.554 0.072 0.000 2.942 399 T HA -0.000 4.349 4.350 -0.000 0.000 0.265 399 T C 1.908 176.677 174.700 0.115 0.000 1.062 399 T CA 0.921 63.077 62.100 0.093 0.000 1.139 399 T CB -0.145 68.807 68.868 0.139 0.000 0.883 399 T HN 0.327 nan 8.240 nan 0.000 0.468 400 A N 1.659 124.553 122.820 0.123 0.000 1.872 400 A HA 0.217 4.537 4.320 -0.000 0.000 0.214 400 A C 2.361 179.969 177.584 0.040 0.000 1.187 400 A CA 1.195 53.301 52.037 0.114 0.000 0.614 400 A CB -0.823 18.221 19.000 0.074 0.000 0.826 400 A HN 0.570 nan 8.150 nan 0.000 0.442 401 I N 0.038 120.615 120.570 0.011 0.000 2.194 401 I HA -0.299 3.871 4.170 -0.000 0.000 0.246 401 I C 2.249 178.359 176.117 -0.011 0.000 1.093 401 I CA 1.250 62.538 61.300 -0.020 0.000 1.355 401 I CB -0.320 37.663 38.000 -0.028 0.000 1.046 401 I HN 0.299 nan 8.210 nan 0.000 0.413 402 L N -0.225 121.002 121.223 0.007 0.000 2.179 402 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 402 L C 2.496 179.371 176.870 0.007 0.000 1.096 402 L CA 0.825 55.668 54.840 0.005 0.000 0.779 402 L CB -0.363 41.697 42.059 0.002 0.000 0.922 402 L HN 0.345 nan 8.230 nan 0.000 0.443 403 L N 0.118 121.354 121.223 0.022 0.000 2.056 403 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 403 L C 2.821 179.677 176.870 -0.023 0.000 1.078 403 L CA 2.061 56.912 54.840 0.019 0.000 0.749 403 L CB -0.322 41.772 42.059 0.057 0.000 0.901 403 L HN 0.470 nan 8.230 nan 0.000 0.433 404 T N -2.182 112.355 114.554 -0.029 0.000 2.701 404 T HA -0.200 4.150 4.350 -0.000 0.000 0.263 404 T C 1.862 176.536 174.700 -0.043 0.000 1.040 404 T CA 1.307 63.377 62.100 -0.050 0.000 1.147 404 T CB -0.742 68.094 68.868 -0.054 0.000 0.865 404 T HN 0.266 nan 8.240 nan 0.000 0.426 405 I N 1.764 122.316 120.570 -0.029 0.000 2.194 405 I HA -0.196 3.973 4.170 -0.000 0.000 0.246 405 I C 2.681 178.792 176.117 -0.010 0.000 1.093 405 I CA 1.851 63.144 61.300 -0.012 0.000 1.355 405 I CB -0.515 37.493 38.000 0.013 0.000 1.046 405 I HN 0.417 nan 8.210 nan 0.000 0.413 406 E N 0.522 120.716 120.200 -0.010 0.000 2.482 406 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 406 E C 1.659 178.255 176.600 -0.007 0.000 1.047 406 E CA 0.610 57.007 56.400 -0.006 0.000 0.869 406 E CB 0.082 29.784 29.700 0.004 0.000 0.836 406 E HN 0.629 nan 8.360 nan 0.000 0.520 407 M N -1.870 117.714 119.600 -0.027 0.000 2.412 407 M HA 0.237 4.717 4.480 -0.000 0.000 0.315 407 M C 0.917 177.183 176.300 -0.057 0.000 1.092 407 M CA 0.155 55.432 55.300 -0.038 0.000 0.974 407 M CB 0.553 33.109 32.600 -0.073 0.000 1.437 407 M HN -0.107 nan 8.290 nan 0.000 0.524 408 T N -5.273 109.253 114.554 -0.047 0.000 3.041 408 T HA 0.202 4.552 4.350 -0.000 0.000 0.276 408 T C 0.095 174.792 174.700 -0.005 0.000 0.948 408 T CA 0.200 62.270 62.100 -0.051 0.000 0.885 408 T CB 0.014 68.841 68.868 -0.069 0.000 1.175 408 T HN 0.333 nan 8.240 nan 0.000 0.529 409 D N 1.490 121.890 120.400 0.001 0.000 2.983 409 D HA -0.145 4.495 4.640 -0.000 0.000 0.225 409 D C -0.251 176.077 176.300 0.048 0.000 1.174 409 D CA 0.976 54.985 54.000 0.016 0.000 0.831 409 D CB -1.437 39.372 40.800 0.015 0.000 1.104 409 D HN 0.573 nan 8.370 nan 0.000 0.421 410 N N -0.342 118.391 118.700 0.056 0.000 2.342 410 N HA 0.231 4.971 4.740 -0.000 0.000 0.293 410 N C -0.336 175.210 175.510 0.061 0.000 1.026 410 N CA -0.415 52.702 53.050 0.111 0.000 0.857 410 N CB 1.155 39.728 38.487 0.143 0.000 1.256 410 N HN 0.079 nan 8.380 nan 0.000 0.484 411 Y N 3.615 123.805 120.300 -0.183 0.000 2.426 411 Y HA 0.312 4.862 4.550 -0.000 0.000 0.249 411 Y C 0.566 176.301 175.900 -0.275 0.000 1.103 411 Y CA -0.015 57.924 58.100 -0.269 0.000 1.256 411 Y CB 0.081 38.327 38.460 -0.357 0.000 1.208 411 Y HN 0.443 nan 8.280 nan 0.000 0.519 412 F N -0.590 119.325 119.950 -0.057 0.000 2.451 412 F HA -0.090 4.437 4.527 -0.000 0.000 0.299 412 F C 1.790 177.463 175.800 -0.212 0.000 1.101 412 F CA 0.948 58.881 58.000 -0.111 0.000 1.436 412 F CB -0.449 38.545 39.000 -0.009 0.000 1.074 412 F HN -0.104 nan 8.300 nan 0.000 0.553 413 V N 0.299 120.168 119.914 -0.075 0.000 3.630 413 V HA -0.098 4.021 4.120 -0.000 0.000 0.273 413 V C 2.064 177.975 176.094 -0.305 0.000 1.248 413 V CA 0.315 62.518 62.300 -0.163 0.000 1.170 413 V CB -0.804 30.949 31.823 -0.116 0.000 0.899 413 V HN 0.390 nan 8.190 nan 0.000 0.457 414 I N -0.038 120.273 120.570 -0.430 0.000 2.099 414 I HA -0.261 3.908 4.170 -0.000 0.000 0.239 414 I C 2.318 178.229 176.117 -0.343 0.000 1.066 414 I CA 1.893 62.913 61.300 -0.466 0.000 1.324 414 I CB 0.099 37.623 38.000 -0.793 0.000 1.037 414 I HN 0.242 nan 8.210 nan 0.000 0.401 415 L N 0.747 121.783 121.223 -0.312 0.000 2.043 415 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 415 L C -0.308 176.366 176.870 -0.326 0.000 1.075 415 L CA 1.784 56.478 54.840 -0.244 0.000 0.752 415 L CB -2.225 39.729 42.059 -0.174 0.000 0.891 415 L HN 0.275 nan 8.230 nan 0.000 0.432 416 P HA -0.190 nan 4.420 nan 0.000 0.214 416 P C 2.011 178.957 177.300 -0.589 0.000 1.162 416 P CA 1.262 63.778 63.100 -0.974 0.000 0.879 416 P CB 0.061 30.818 31.700 -1.572 0.000 0.786 417 L N -1.420 119.550 121.223 -0.423 0.000 2.043 417 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 417 L C 2.366 179.128 176.870 -0.180 0.000 1.075 417 L CA 1.529 56.215 54.840 -0.258 0.000 0.752 417 L CB -0.669 41.261 42.059 -0.215 0.000 0.891 417 L HN -0.038 nan 8.230 nan 0.000 0.432 418 L N -1.717 119.403 121.223 -0.173 0.000 1.988 418 L HA -0.226 4.114 4.340 -0.000 0.000 0.207 418 L C 2.405 179.230 176.870 -0.076 0.000 1.071 418 L CA 1.125 55.902 54.840 -0.105 0.000 0.744 418 L CB -0.492 41.511 42.059 -0.095 0.000 0.893 418 L HN 0.000 nan 8.230 nan 0.000 0.433 419 V N -0.903 118.959 119.914 -0.086 0.000 2.324 419 V HA -0.375 3.745 4.120 -0.000 0.000 0.250 419 V C 2.551 178.652 176.094 0.013 0.000 1.060 419 V CA 2.482 64.767 62.300 -0.025 0.000 1.042 419 V CB -0.747 31.070 31.823 -0.009 0.000 0.650 419 V HN 0.557 nan 8.190 nan 0.000 0.450 420 T N -2.693 111.856 114.554 -0.008 0.000 3.055 420 T HA -0.130 4.220 4.350 -0.000 0.000 0.265 420 T C 1.677 176.383 174.700 0.011 0.000 1.111 420 T CA 1.595 63.729 62.100 0.056 0.000 1.118 420 T CB -0.307 68.616 68.868 0.091 0.000 0.909 420 T HN 0.596 nan 8.240 nan 0.000 0.501 421 C N 0.630 119.913 119.300 -0.029 0.000 2.525 421 C HA 0.312 4.772 4.460 -0.000 0.000 0.291 421 C C 2.198 177.188 174.990 0.000 0.000 1.351 421 C CA 0.019 59.016 59.018 -0.036 0.000 1.771 421 C CB -0.459 27.247 27.740 -0.056 0.000 2.177 421 C HN 0.720 nan 8.230 nan 0.000 0.510 422 L N -0.444 120.783 121.223 0.008 0.000 2.341 422 L HA 0.213 4.553 4.340 -0.000 0.000 0.214 422 L C 1.791 178.686 176.870 0.042 0.000 1.115 422 L CA 1.672 56.527 54.840 0.024 0.000 0.820 422 L CB -1.535 40.535 42.059 0.017 0.000 0.944 422 L HN 0.064 nan 8.230 nan 0.000 0.452 423 V N 0.573 120.517 119.914 0.050 0.000 2.951 423 V HA 0.058 4.177 4.120 -0.000 0.000 0.255 423 V C 2.862 179.009 176.094 0.088 0.000 1.088 423 V CA 1.162 63.504 62.300 0.069 0.000 1.109 423 V CB -0.684 31.186 31.823 0.079 0.000 0.724 423 V HN 0.569 nan 8.190 nan 0.000 0.471 424 A N -0.627 122.248 122.820 0.090 0.000 1.968 424 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 424 A C 2.506 180.153 177.584 0.105 0.000 1.169 424 A CA 2.001 54.110 52.037 0.120 0.000 0.638 424 A CB -0.411 18.644 19.000 0.092 0.000 0.812 424 A HN 0.462 nan 8.150 nan 0.000 0.446 425 S N -0.888 114.859 115.700 0.077 0.000 2.371 425 S HA -0.063 4.407 4.470 -0.000 0.000 0.221 425 S C 1.912 176.561 174.600 0.083 0.000 1.036 425 S CA 1.187 59.435 58.200 0.079 0.000 0.965 425 S CB -0.435 62.802 63.200 0.063 0.000 0.845 425 S HN 0.237 nan 8.310 nan 0.000 0.475 426 V N 1.888 121.844 119.914 0.071 0.000 2.282 426 V HA -0.161 3.959 4.120 -0.000 0.000 0.249 426 V C 2.494 178.630 176.094 0.069 0.000 1.057 426 V CA 2.031 64.370 62.300 0.065 0.000 1.032 426 V CB -0.709 31.148 31.823 0.055 0.000 0.645 426 V HN 0.430 nan 8.190 nan 0.000 0.447 427 V N -0.072 119.887 119.914 0.075 0.000 2.358 427 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 427 V C 2.663 178.805 176.094 0.079 0.000 1.047 427 V CA 1.831 64.171 62.300 0.068 0.000 1.035 427 V CB -1.078 30.790 31.823 0.075 0.000 0.658 427 V HN 0.574 nan 8.190 nan 0.000 0.452 428 A N -0.273 122.619 122.820 0.120 0.000 1.873 428 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 428 A C 2.020 179.716 177.584 0.186 0.000 1.193 428 A CA 2.071 54.215 52.037 0.178 0.000 0.629 428 A CB -0.452 18.655 19.000 0.179 0.000 0.826 428 A HN 0.624 nan 8.150 nan 0.000 0.447 429 E N -0.847 119.437 120.200 0.140 0.000 2.437 429 E HA 0.349 4.699 4.350 -0.000 0.000 0.189 429 E C 1.477 178.131 176.600 0.090 0.000 1.054 429 E CA 0.228 56.707 56.400 0.131 0.000 0.874 429 E CB 0.090 29.858 29.700 0.114 0.000 1.011 429 E HN 0.614 nan 8.360 nan 0.000 0.474 430 A N 0.363 123.222 122.820 0.065 0.000 1.997 430 A HA 0.051 4.371 4.320 -0.000 0.000 0.212 430 A C 1.795 179.378 177.584 -0.002 0.000 1.178 430 A CA 0.291 52.348 52.037 0.033 0.000 0.698 430 A CB 0.030 19.045 19.000 0.025 0.000 0.842 430 A HN 0.184 nan 8.150 nan 0.000 0.458 431 L N -0.501 120.696 121.223 -0.043 0.000 2.592 431 L HA 0.277 4.617 4.340 -0.000 0.000 0.227 431 L C 1.123 177.999 176.870 0.009 0.000 1.127 431 L CA 0.295 55.022 54.840 -0.187 0.000 0.884 431 L CB -0.606 41.084 42.059 -0.615 0.000 1.065 431 L HN 0.453 nan 8.230 nan 0.000 0.457 432 G N 1.017 109.900 108.800 0.138 0.000 2.460 432 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.259 432 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.259 432 G C 0.640 175.767 174.900 0.379 0.000 0.959 432 G CA 0.166 45.396 45.100 0.217 0.000 1.330 432 G HN 0.489 nan 8.290 nan 0.000 0.451 433 G N 0.270 109.283 108.800 0.355 0.000 2.743 433 G HA2 0.468 4.428 3.960 -0.000 0.000 0.206 433 G HA3 0.468 4.428 3.960 -0.000 0.000 0.206 433 G C 0.585 175.616 174.900 0.218 0.000 1.115 433 G CA 0.694 45.978 45.100 0.307 0.000 0.782 433 G HN 1.140 nan 8.290 nan 0.000 0.524 434 K N -0.688 119.825 120.400 0.187 0.000 6.951 434 K HA -0.121 4.199 4.320 -0.000 0.000 0.575 434 K C -2.957 173.744 176.600 0.168 0.000 2.580 434 K CA -0.047 56.334 56.287 0.157 0.000 2.030 434 K CB -0.855 31.723 32.500 0.131 0.000 2.303 434 K HN 0.078 nan 8.250 nan 0.000 0.183 435 P HA 0.053 nan 4.420 nan 0.000 0.265 435 P C 0.774 178.173 177.300 0.166 0.000 1.222 435 P CA 0.114 63.306 63.100 0.153 0.000 0.767 435 P CB 0.319 32.117 31.700 0.163 0.000 0.801 436 I N 3.015 123.641 120.570 0.093 0.000 2.530 436 I HA -0.307 3.863 4.170 -0.000 0.000 0.257 436 I C 0.809 176.930 176.117 0.005 0.000 1.179 436 I CA 1.684 63.010 61.300 0.043 0.000 1.440 436 I CB 0.071 37.953 38.000 -0.196 0.000 1.087 436 I HN 0.323 nan 8.210 nan 0.000 0.440 437 Y N 0.597 120.979 120.300 0.137 0.000 2.314 437 Y HA -0.154 4.396 4.550 -0.000 0.000 0.294 437 Y C 2.924 178.898 175.900 0.123 0.000 1.119 437 Y CA 1.610 59.787 58.100 0.128 0.000 1.179 437 Y CB -0.996 37.531 38.460 0.112 0.000 1.025 437 Y HN 0.286 nan 8.280 nan 0.000 0.541 438 T N -2.879 111.830 114.554 0.258 0.000 2.821 438 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 438 T C 1.904 176.677 174.700 0.121 0.000 1.046 438 T CA 1.507 63.708 62.100 0.168 0.000 1.139 438 T CB -1.050 67.897 68.868 0.133 0.000 0.871 438 T HN 0.090 nan 8.240 nan 0.000 0.454 439 V N 1.107 121.091 119.914 0.117 0.000 2.453 439 V HA 0.023 4.142 4.120 -0.000 0.000 0.247 439 V C 2.615 178.745 176.094 0.060 0.000 1.048 439 V CA 0.872 63.182 62.300 0.018 0.000 1.049 439 V CB -0.825 30.946 31.823 -0.088 0.000 0.672 439 V HN 0.304 nan 8.190 nan 0.000 0.457 440 L N -0.200 121.133 121.223 0.183 0.000 2.191 440 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 440 L C 2.143 179.110 176.870 0.162 0.000 1.103 440 L CA 1.620 56.588 54.840 0.213 0.000 0.769 440 L CB -0.715 41.503 42.059 0.265 0.000 0.908 440 L HN 0.262 nan 8.230 nan 0.000 0.438 441 L N -0.969 120.342 121.223 0.147 0.000 2.095 441 L HA -0.133 4.207 4.340 -0.000 0.000 0.204 441 L C 2.160 179.071 176.870 0.069 0.000 1.080 441 L CA 1.499 56.407 54.840 0.114 0.000 0.759 441 L CB -0.528 41.600 42.059 0.115 0.000 0.914 441 L HN 0.372 nan 8.230 nan 0.000 0.439 442 E N -0.127 120.101 120.200 0.045 0.000 2.153 442 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 442 E C 2.139 178.743 176.600 0.006 0.000 0.988 442 E CA 1.107 57.515 56.400 0.013 0.000 0.811 442 E CB 0.029 29.718 29.700 -0.017 0.000 0.746 442 E HN 0.522 nan 8.360 nan 0.000 0.466 443 R N 0.082 120.590 120.500 0.013 0.000 2.119 443 R HA -0.042 4.298 4.340 -0.000 0.000 0.222 443 R C 2.511 178.830 176.300 0.032 0.000 1.088 443 R CA 1.613 57.722 56.100 0.015 0.000 0.984 443 R CB -0.197 30.120 30.300 0.028 0.000 0.884 443 R HN 0.239 nan 8.270 nan 0.000 0.447 444 T N -1.072 113.512 114.554 0.050 0.000 3.043 444 T HA 0.081 4.431 4.350 -0.000 0.000 0.263 444 T C 1.921 176.644 174.700 0.038 0.000 1.094 444 T CA 0.392 62.521 62.100 0.049 0.000 1.127 444 T CB -0.032 68.878 68.868 0.069 0.000 0.905 444 T HN 0.066 nan 8.240 nan 0.000 0.490 445 L N 0.834 122.078 121.223 0.034 0.000 2.072 445 L HA 0.120 4.460 4.340 -0.000 0.000 0.205 445 L C 3.252 180.131 176.870 0.015 0.000 1.079 445 L CA 1.148 56.002 54.840 0.025 0.000 0.752 445 L CB -0.727 41.345 42.059 0.022 0.000 0.906 445 L HN 0.367 nan 8.230 nan 0.000 0.436 446 A N -0.360 122.467 122.820 0.011 0.000 2.076 446 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 446 A C 1.584 179.171 177.584 0.005 0.000 1.160 446 A CA 1.300 53.340 52.037 0.005 0.000 0.653 446 A CB -0.307 18.693 19.000 -0.000 0.000 0.801 446 A HN 0.145 nan 8.150 nan 0.000 0.455 447 K N 0.658 121.064 120.400 0.010 0.000 3.100 447 K HA 0.151 4.471 4.320 -0.000 0.000 0.256 447 K C 0.287 176.891 176.600 0.007 0.000 1.146 447 K CA 0.062 56.353 56.287 0.008 0.000 1.233 447 K CB 0.065 32.572 32.500 0.011 0.000 1.226 447 K HN 0.637 nan 8.250 nan 0.000 0.442 448 Q N 0.137 119.940 119.800 0.005 0.000 2.292 448 Q HA 0.059 4.399 4.340 -0.000 0.000 0.247 448 Q C 0.092 176.090 176.000 -0.002 0.000 0.911 448 Q CA 0.185 55.990 55.803 0.004 0.000 0.948 448 Q CB -0.533 28.207 28.738 0.004 0.000 1.093 448 Q HN 0.299 nan 8.270 nan 0.000 0.428 449 N N -0.940 117.758 118.700 -0.004 0.000 1.842 449 N HA 0.040 4.780 4.740 -0.000 0.000 0.226 449 N C -0.311 175.191 175.510 -0.012 0.000 1.431 449 N CA -0.459 52.586 53.050 -0.009 0.000 0.722 449 N CB 0.235 38.717 38.487 -0.010 0.000 1.040 449 N HN 0.068 nan 8.380 nan 0.000 0.534 450 R N 0.000 120.495 120.500 -0.009 0.000 2.786 450 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 450 R CA 0.000 56.093 56.100 -0.011 0.000 0.921 450 R CB 0.000 30.294 30.300 -0.010 0.000 0.687 450 R HN 0.000 nan 8.270 nan 0.000 0.535