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 1ted_1_D DATA FIRST_RESID 31 DATA SEQUENCE TVAVIEGLAT GTPRRVVNQS DAADRVAELX XXXGQRERIP RVYQKSRITT DATA SEQUENCE RRMAVDPLDA KFDVFRREPA TIRDRMHLFY EHAVPLAVDV SKRALAGLPY DATA SEQUENCE RAAEIGLLVL ATSTGFIAPG VDVAIVKELG LSPSISRVVV NFMGCAAAMN DATA SEQUENCE ALGTATNYVR AHPAMKALVV CIELCSVNAV FADDINDVVI HSLFGDGCAA DATA SEQUENCE LVIGASQVQE KLEPGKVVVR SSFSQLLDNT EDGIVLGVNH NGITCELSEN DATA SEQUENCE LPGYIFSGVA PVVTEMLWDN GLQISDIDLW AIHPGGPKII EQSVRSLGIS DATA SEQUENCE AELAAQSWDV LARFGNMLSV SLIFVLETMV QQAESAKAIS TGVAFAFGPG DATA SEQUENCE VTVEGMLFDI IRR 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 31 T HA 0.000 nan 4.350 nan 0.000 0.228 31 T C 0.000 174.697 174.700 -0.005 0.000 1.109 31 T CA 0.000 62.093 62.100 -0.011 0.000 1.349 31 T CB 0.000 68.856 68.868 -0.020 0.000 0.612 32 V N 3.564 123.478 119.914 0.001 0.000 2.769 32 V HA 0.920 5.040 4.120 0.001 0.000 0.312 32 V C 0.566 176.667 176.094 0.012 0.000 1.061 32 V CA -0.840 61.465 62.300 0.008 0.000 0.931 32 V CB 1.863 33.693 31.823 0.012 0.000 1.010 32 V HN 1.194 nan 8.190 nan 0.000 0.433 33 A N 3.716 126.546 122.820 0.017 0.000 2.276 33 A HA 0.778 5.098 4.320 0.001 0.000 0.300 33 A C -0.610 176.989 177.584 0.024 0.000 1.235 33 A CA -0.343 51.706 52.037 0.020 0.000 0.867 33 A CB 0.652 19.666 19.000 0.022 0.000 1.137 33 A HN 0.707 nan 8.150 nan 0.000 0.527 34 V N 3.836 123.764 119.914 0.024 0.000 2.680 34 V HA 0.373 4.493 4.120 0.001 0.000 0.309 34 V C -0.207 175.898 176.094 0.019 0.000 1.052 34 V CA -0.404 61.910 62.300 0.024 0.000 0.908 34 V CB 1.920 33.762 31.823 0.032 0.000 1.001 34 V HN 0.762 nan 8.190 nan 0.000 0.431 35 I N 3.308 123.881 120.570 0.004 0.000 2.301 35 I HA 0.308 4.478 4.170 0.001 0.000 0.292 35 I C 1.035 177.155 176.117 0.006 0.000 1.046 35 I CA 0.072 61.367 61.300 -0.010 0.000 1.282 35 I CB 0.903 38.873 38.000 -0.049 0.000 1.409 35 I HN 0.775 nan 8.210 nan 0.000 0.484 36 E N 4.430 124.650 120.200 0.033 0.000 2.364 36 E HA 0.178 4.529 4.350 0.001 0.000 0.196 36 E C 0.889 177.508 176.600 0.031 0.000 0.990 36 E CA -0.093 56.338 56.400 0.052 0.000 0.886 36 E CB 0.689 30.466 29.700 0.129 0.000 0.866 36 E HN 0.728 nan 8.360 nan 0.000 0.493 37 G N 1.428 110.241 108.800 0.022 0.000 2.638 37 G HA2 0.620 4.580 3.960 0.001 0.000 0.302 37 G HA3 0.620 4.580 3.960 0.001 0.000 0.302 37 G C -1.606 173.275 174.900 -0.032 0.000 1.365 37 G CA -0.472 44.628 45.100 -0.001 0.000 0.987 37 G HN 0.035 nan 8.290 nan 0.000 0.495 38 L N 1.243 122.433 121.223 -0.056 0.000 2.526 38 L HA 0.810 5.150 4.340 0.001 0.000 0.263 38 L C -0.856 175.949 176.870 -0.108 0.000 0.943 38 L CA -0.737 54.050 54.840 -0.087 0.000 0.859 38 L CB 1.996 43.993 42.059 -0.102 0.000 1.313 38 L HN 0.929 nan 8.230 nan 0.000 0.406 39 A N 1.951 124.692 122.820 -0.132 0.000 2.574 39 A HA 0.832 5.153 4.320 0.001 0.000 0.297 39 A C -0.776 176.676 177.584 -0.220 0.000 1.062 39 A CA -0.179 51.764 52.037 -0.158 0.000 0.686 39 A CB 2.092 21.026 19.000 -0.109 0.000 1.285 39 A HN 0.640 nan 8.150 nan 0.000 0.403 40 T N -0.994 113.375 114.554 -0.309 0.000 2.930 40 T HA 0.922 5.273 4.350 0.001 0.000 0.290 40 T C 0.079 174.631 174.700 -0.248 0.000 1.052 40 T CA -0.259 61.576 62.100 -0.442 0.000 1.017 40 T CB 1.955 70.137 68.868 -1.144 0.000 1.137 40 T HN 2.028 nan 8.240 nan 0.000 0.511 41 G N -0.735 107.999 108.800 -0.109 0.000 2.684 41 G HA2 0.663 4.624 3.960 0.001 0.000 0.290 41 G HA3 0.663 4.624 3.960 0.001 0.000 0.290 41 G C -1.394 173.557 174.900 0.086 0.000 1.425 41 G CA -0.727 44.365 45.100 -0.013 0.000 0.822 41 G HN 0.901 nan 8.290 nan 0.000 0.482 42 T N 0.752 115.349 114.554 0.072 0.000 2.886 42 T HA 0.622 4.973 4.350 0.001 0.000 0.330 42 T C -2.876 171.865 174.700 0.069 0.000 1.488 42 T CA -0.578 61.572 62.100 0.083 0.000 1.054 42 T CB 2.119 71.076 68.868 0.150 0.000 1.348 42 T HN 0.479 nan 8.240 nan 0.000 0.489 43 P HA 0.279 nan 4.420 nan 0.000 0.271 43 P C 0.969 178.313 177.300 0.075 0.000 1.216 43 P CA -0.074 63.059 63.100 0.055 0.000 0.776 43 P CB 0.493 32.217 31.700 0.041 0.000 0.881 44 R N 3.368 123.909 120.500 0.068 0.000 2.117 44 R HA -0.189 4.152 4.340 0.001 0.000 0.243 44 R C 1.581 177.924 176.300 0.072 0.000 1.143 44 R CA 1.909 58.051 56.100 0.069 0.000 0.968 44 R CB -1.393 28.941 30.300 0.056 0.000 0.863 44 R HN 0.617 nan 8.270 nan 0.000 0.444 45 R N 0.834 121.376 120.500 0.070 0.000 2.404 45 R HA 0.229 4.569 4.340 0.001 0.000 0.315 45 R C -0.987 175.355 176.300 0.070 0.000 1.032 45 R CA 0.059 56.200 56.100 0.068 0.000 0.992 45 R CB 0.498 30.839 30.300 0.068 0.000 0.959 45 R HN 0.239 nan 8.270 nan 0.000 0.428 46 V N 5.966 125.918 119.914 0.063 0.000 2.439 46 V HA 0.239 4.360 4.120 0.001 0.000 0.282 46 V C -0.218 175.909 176.094 0.056 0.000 1.039 46 V CA -0.652 61.682 62.300 0.057 0.000 0.913 46 V CB 1.728 33.576 31.823 0.041 0.000 0.983 46 V HN 0.520 nan 8.190 nan 0.000 0.460 47 V N 5.249 125.199 119.914 0.060 0.000 2.313 47 V HA 0.293 4.413 4.120 0.001 0.000 0.278 47 V C 0.405 176.539 176.094 0.066 0.000 1.017 47 V CA -0.691 61.652 62.300 0.072 0.000 0.823 47 V CB 1.316 33.195 31.823 0.093 0.000 1.010 47 V HN 0.895 nan 8.190 nan 0.000 0.443 48 N N 3.970 122.705 118.700 0.059 0.000 2.483 48 N HA 0.039 4.780 4.740 0.001 0.000 0.264 48 N C 1.008 176.568 175.510 0.084 0.000 1.197 48 N CA -0.122 52.961 53.050 0.054 0.000 0.927 48 N CB 1.333 39.844 38.487 0.041 0.000 1.065 48 N HN 0.589 nan 8.380 nan 0.000 0.461 49 Q N 1.802 121.658 119.800 0.092 0.000 2.170 49 Q HA -0.077 4.263 4.340 0.001 0.000 0.203 49 Q C 1.490 177.585 176.000 0.158 0.000 0.976 49 Q CA 1.093 56.989 55.803 0.155 0.000 0.858 49 Q CB -0.055 28.764 28.738 0.136 0.000 0.907 49 Q HN 0.602 nan 8.270 nan 0.000 0.433 50 S N 1.309 117.064 115.700 0.092 0.000 2.368 50 S HA -0.129 4.341 4.470 0.001 0.000 0.225 50 S C 1.359 175.982 174.600 0.037 0.000 1.030 50 S CA 1.346 59.583 58.200 0.060 0.000 0.999 50 S CB -0.100 63.122 63.200 0.037 0.000 0.844 50 S HN 0.393 nan 8.310 nan 0.000 0.459 51 D N 1.697 122.123 120.400 0.044 0.000 2.149 51 D HA 0.053 4.693 4.640 0.001 0.000 0.201 51 D C 2.157 178.476 176.300 0.031 0.000 0.972 51 D CA 1.062 55.080 54.000 0.030 0.000 0.835 51 D CB -0.502 40.321 40.800 0.038 0.000 0.966 51 D HN 0.379 nan 8.370 nan 0.000 0.476 52 A N 1.629 124.500 122.820 0.086 0.000 1.865 52 A HA -0.102 4.218 4.320 0.001 0.000 0.217 52 A C 2.399 179.961 177.584 -0.035 0.000 1.191 52 A CA 2.472 54.588 52.037 0.132 0.000 0.623 52 A CB -0.901 18.280 19.000 0.301 0.000 0.826 52 A HN 0.235 nan 8.150 nan 0.000 0.444 53 A N 0.029 122.745 122.820 -0.174 0.000 1.892 53 A HA -0.262 4.058 4.320 0.001 0.000 0.218 53 A C 1.807 179.187 177.584 -0.341 0.000 1.188 53 A CA 2.110 53.767 52.037 -0.633 0.000 0.631 53 A CB -0.702 18.078 19.000 -0.366 0.000 0.822 53 A HN 0.526 nan 8.150 nan 0.000 0.447 54 D N -0.583 119.722 120.400 -0.159 0.000 2.097 54 D HA -0.115 4.525 4.640 0.001 0.000 0.197 54 D C 2.200 178.442 176.300 -0.097 0.000 0.984 54 D CA 1.348 55.284 54.000 -0.107 0.000 0.826 54 D CB -0.394 40.372 40.800 -0.057 0.000 0.973 54 D HN 0.509 nan 8.370 nan 0.000 0.460 55 R N 0.438 120.893 120.500 -0.075 0.000 2.148 55 R HA -0.028 4.312 4.340 0.001 0.000 0.227 55 R C 2.317 178.555 176.300 -0.103 0.000 1.103 55 R CA 0.466 56.524 56.100 -0.070 0.000 0.983 55 R CB -0.148 30.129 30.300 -0.038 0.000 0.874 55 R HN 0.094 nan 8.270 nan 0.000 0.451 56 V N 0.771 120.620 119.914 -0.109 0.000 2.535 56 V HA -0.078 4.042 4.120 0.001 0.000 0.246 56 V C 2.380 178.411 176.094 -0.104 0.000 1.045 56 V CA 1.592 63.839 62.300 -0.089 0.000 1.058 56 V CB -0.394 31.415 31.823 -0.024 0.000 0.689 56 V HN 0.347 nan 8.190 nan 0.000 0.461 57 A N -0.030 122.705 122.820 -0.142 0.000 1.978 57 A HA -0.250 4.070 4.320 0.001 0.000 0.220 57 A C 2.122 179.662 177.584 -0.074 0.000 1.170 57 A CA 1.875 53.848 52.037 -0.107 0.000 0.636 57 A CB -0.427 18.505 19.000 -0.113 0.000 0.810 57 A HN 0.629 nan 8.150 nan 0.000 0.448 58 E N -0.450 119.703 120.200 -0.078 0.000 2.204 58 E HA 0.007 4.358 4.350 0.001 0.000 0.194 58 E C 0.397 176.959 176.600 -0.064 0.000 0.989 58 E CA 0.005 56.367 56.400 -0.065 0.000 0.824 58 E CB -0.178 29.482 29.700 -0.065 0.000 0.756 58 E HN 0.610 nan 8.360 nan 0.000 0.477 65 Q N -0.066 119.732 119.800 -0.004 0.000 2.730 65 Q HA 0.658 4.999 4.340 0.001 0.000 0.244 65 Q C 0.708 176.706 176.000 -0.005 0.000 1.176 65 Q CA 0.490 56.291 55.803 -0.004 0.000 1.024 65 Q CB -0.040 28.698 28.738 -0.001 0.000 1.215 65 Q HN 1.577 nan 8.270 nan 0.000 0.542 66 R N 0.946 121.440 120.500 -0.010 0.000 2.849 66 R HA 0.137 4.478 4.340 0.001 0.000 0.238 66 R C 0.721 177.011 176.300 -0.015 0.000 1.403 66 R CA 0.502 56.593 56.100 -0.016 0.000 1.303 66 R CB -0.571 29.713 30.300 -0.026 0.000 1.191 66 R HN 0.695 nan 8.270 nan 0.000 0.533 67 E N -0.153 120.043 120.200 -0.006 0.000 2.415 67 E HA 0.034 4.385 4.350 0.001 0.000 0.197 67 E C 1.397 178.001 176.600 0.007 0.000 1.007 67 E CA 0.341 56.739 56.400 -0.003 0.000 0.890 67 E CB 0.390 30.089 29.700 -0.001 0.000 0.891 67 E HN 0.630 nan 8.360 nan 0.000 0.496 68 R N 0.280 120.788 120.500 0.013 0.000 2.127 68 R HA 0.182 4.522 4.340 0.001 0.000 0.217 68 R C 2.403 178.734 176.300 0.051 0.000 1.074 68 R CA 0.429 56.546 56.100 0.028 0.000 0.991 68 R CB -0.022 30.294 30.300 0.026 0.000 0.895 68 R HN 0.092 nan 8.270 nan 0.000 0.450 69 I N 1.149 121.740 120.570 0.034 0.000 2.179 69 I HA -0.182 3.989 4.170 0.001 0.000 0.242 69 I C -0.818 175.314 176.117 0.026 0.000 1.088 69 I CA 1.260 62.583 61.300 0.038 0.000 1.357 69 I CB -1.067 36.900 38.000 -0.055 0.000 1.051 69 I HN 0.041 nan 8.210 nan 0.000 0.409 70 P HA -0.143 nan 4.420 nan 0.000 0.215 70 P C 1.569 178.915 177.300 0.076 0.000 1.153 70 P CA 1.263 64.361 63.100 -0.003 0.000 0.853 70 P CB -0.086 31.607 31.700 -0.013 0.000 0.788 71 R N -0.373 120.170 120.500 0.072 0.000 2.088 71 R HA -0.057 4.283 4.340 0.001 0.000 0.232 71 R C 1.659 178.027 176.300 0.115 0.000 1.136 71 R CA 1.075 57.221 56.100 0.076 0.000 0.926 71 R CB -1.625 28.706 30.300 0.051 0.000 0.837 71 R HN 0.095 nan 8.270 nan 0.000 0.429 72 V N 1.281 121.279 119.914 0.141 0.000 3.394 72 V HA -0.118 4.002 4.120 0.001 0.000 0.340 72 V C 0.025 176.237 176.094 0.197 0.000 1.174 72 V CA 1.063 63.445 62.300 0.137 0.000 1.368 72 V CB -0.747 31.142 31.823 0.110 0.000 1.111 72 V HN 0.270 nan 8.190 nan 0.000 0.420 73 Y N -0.576 119.740 120.300 0.027 0.000 2.589 73 Y HA 0.076 4.627 4.550 0.001 0.000 0.274 73 Y C 2.193 178.112 175.900 0.032 0.000 1.177 73 Y CA 0.438 58.558 58.100 0.034 0.000 1.123 73 Y CB 0.199 38.680 38.460 0.035 0.000 1.330 73 Y HN 0.434 nan 8.280 nan 0.000 0.518 74 Q N 0.169 120.078 119.800 0.181 0.000 2.435 74 Q HA 0.094 4.434 4.340 0.001 0.000 0.207 74 Q C 1.500 177.541 176.000 0.067 0.000 0.956 74 Q CA 1.337 57.202 55.803 0.104 0.000 0.917 74 Q CB -0.158 28.626 28.738 0.076 0.000 0.997 74 Q HN 0.322 nan 8.270 nan 0.000 0.497 75 K N 1.140 121.579 120.400 0.065 0.000 2.353 75 K HA 0.135 4.456 4.320 0.001 0.000 0.195 75 K C 1.840 178.470 176.600 0.050 0.000 1.031 75 K CA 0.638 56.954 56.287 0.049 0.000 1.079 75 K CB 0.027 32.553 32.500 0.043 0.000 0.857 75 K HN 0.453 nan 8.250 nan 0.000 0.535 76 S N 0.505 116.221 115.700 0.027 0.000 2.423 76 S HA -0.132 4.339 4.470 0.001 0.000 0.231 76 S C 1.111 175.752 174.600 0.069 0.000 1.014 76 S CA 0.676 58.879 58.200 0.006 0.000 0.965 76 S CB -0.340 62.803 63.200 -0.094 0.000 0.785 76 S HN 0.584 nan 8.310 nan 0.000 0.495 77 R N 0.115 120.663 120.500 0.079 0.000 3.531 77 R HA -0.097 4.243 4.340 0.001 0.000 0.280 77 R C -1.032 175.332 176.300 0.106 0.000 1.130 77 R CA 0.937 57.104 56.100 0.110 0.000 0.757 77 R CB -2.445 27.991 30.300 0.228 0.000 1.218 77 R HN 0.554 nan 8.270 nan 0.000 0.454 78 I N -0.540 120.065 120.570 0.059 0.000 2.406 78 I HA 0.148 4.319 4.170 0.001 0.000 0.290 78 I C 1.355 177.489 176.117 0.028 0.000 0.999 78 I CA -0.470 60.852 61.300 0.036 0.000 1.124 78 I CB 2.073 40.081 38.000 0.015 0.000 1.289 78 I HN -0.054 nan 8.210 nan 0.000 0.441 79 T N 2.557 117.114 114.554 0.006 0.000 2.983 79 T HA 0.069 4.420 4.350 0.001 0.000 0.250 79 T C 0.635 175.331 174.700 -0.006 0.000 1.037 79 T CA 0.847 62.947 62.100 0.001 0.000 1.142 79 T CB 0.208 69.064 68.868 -0.020 0.000 0.876 79 T HN 0.801 nan 8.240 nan 0.000 0.455 80 T N 0.538 115.067 114.554 -0.041 0.000 2.787 80 T HA 0.740 5.091 4.350 0.001 0.000 0.297 80 T C -1.576 173.095 174.700 -0.048 0.000 1.221 80 T CA -1.301 60.776 62.100 -0.038 0.000 1.006 80 T CB 2.694 71.519 68.868 -0.072 0.000 1.328 80 T HN 0.482 nan 8.240 nan 0.000 0.509 81 R N -0.666 119.833 120.500 -0.002 0.000 2.664 81 R HA 0.693 5.034 4.340 0.001 0.000 0.266 81 R C -1.571 174.777 176.300 0.080 0.000 1.046 81 R CA -1.278 54.849 56.100 0.045 0.000 0.885 81 R CB 1.074 31.407 30.300 0.056 0.000 1.254 81 R HN 0.463 nan 8.270 nan 0.000 0.465 82 R N 1.742 122.320 120.500 0.129 0.000 2.540 82 R HA 0.568 4.909 4.340 0.001 0.000 0.287 82 R C -0.407 175.932 176.300 0.064 0.000 0.980 82 R CA -0.722 55.444 56.100 0.111 0.000 0.966 82 R CB 1.098 31.493 30.300 0.158 0.000 1.106 82 R HN 0.713 nan 8.270 nan 0.000 0.480 83 M N 0.623 120.250 119.600 0.045 0.000 2.322 83 M HA 0.308 4.789 4.480 0.001 0.000 0.286 83 M C 0.529 176.813 176.300 -0.027 0.000 1.111 83 M CA -0.598 54.706 55.300 0.007 0.000 0.941 83 M CB 2.505 35.115 32.600 0.018 0.000 1.671 83 M HN 0.735 nan 8.290 nan 0.000 0.470 84 A N 2.618 125.383 122.820 -0.092 0.000 1.972 84 A HA 0.178 4.499 4.320 0.001 0.000 0.219 84 A C 0.557 177.956 177.584 -0.309 0.000 1.169 84 A CA 1.151 53.078 52.037 -0.183 0.000 0.635 84 A CB 0.144 18.961 19.000 -0.306 0.000 0.810 84 A HN 0.530 nan 8.150 nan 0.000 0.446 85 V N 0.188 119.934 119.914 -0.280 0.000 2.760 85 V HA 0.258 4.379 4.120 0.001 0.000 0.309 85 V C -1.247 174.759 176.094 -0.146 0.000 1.077 85 V CA -1.013 61.101 62.300 -0.310 0.000 0.910 85 V CB 1.996 33.452 31.823 -0.612 0.000 1.008 85 V HN 0.345 nan 8.190 nan 0.000 0.424 86 D N 6.348 126.742 120.400 -0.009 0.000 2.422 86 D HA 0.206 4.846 4.640 0.001 0.000 0.227 86 D C -1.284 175.102 176.300 0.144 0.000 1.190 86 D CA -1.659 52.406 54.000 0.108 0.000 0.905 86 D CB 1.971 42.878 40.800 0.178 0.000 1.034 86 D HN 0.276 nan 8.370 nan 0.000 0.507 87 P HA -0.145 nan 4.420 nan 0.000 0.217 87 P C 1.471 178.947 177.300 0.293 0.000 1.148 87 P CA 0.721 63.981 63.100 0.267 0.000 0.828 87 P CB 0.402 32.382 31.700 0.466 0.000 0.783 88 L N -0.833 120.512 121.223 0.202 0.000 2.591 88 L HA 0.133 4.474 4.340 0.001 0.000 0.228 88 L C 1.347 178.276 176.870 0.098 0.000 1.133 88 L CA -0.132 54.735 54.840 0.045 0.000 0.880 88 L CB -0.752 41.302 42.059 -0.008 0.000 1.033 88 L HN -0.006 nan 8.230 nan 0.000 0.450 89 D N 0.653 121.183 120.400 0.216 0.000 2.423 89 D HA 0.004 4.644 4.640 0.001 0.000 0.238 89 D C 1.109 177.476 176.300 0.111 0.000 1.142 89 D CA 0.619 54.729 54.000 0.183 0.000 0.884 89 D CB 1.790 42.768 40.800 0.297 0.000 1.199 89 D HN 0.100 nan 8.370 nan 0.000 0.438 90 A N 4.560 127.396 122.820 0.027 0.000 1.908 90 A HA -0.250 4.071 4.320 0.001 0.000 0.218 90 A C 2.038 179.595 177.584 -0.045 0.000 1.181 90 A CA 2.267 54.300 52.037 -0.007 0.000 0.627 90 A CB -0.492 18.495 19.000 -0.021 0.000 0.818 90 A HN 0.801 nan 8.150 nan 0.000 0.445 91 K N -1.539 118.763 120.400 -0.163 0.000 2.057 91 K HA -0.126 4.194 4.320 0.001 0.000 0.207 91 K C 1.427 177.868 176.600 -0.264 0.000 1.049 91 K CA 1.841 57.944 56.287 -0.307 0.000 0.931 91 K CB -0.587 31.565 32.500 -0.581 0.000 0.714 91 K HN 0.345 nan 8.250 nan 0.000 0.440 92 F N 2.283 122.289 119.950 0.094 0.000 2.558 92 F HA 0.024 4.552 4.527 0.001 0.000 0.298 92 F C 1.891 177.812 175.800 0.203 0.000 1.119 92 F CA 0.275 58.383 58.000 0.180 0.000 1.451 92 F CB -0.389 38.720 39.000 0.181 0.000 1.091 92 F HN 0.052 nan 8.300 nan 0.000 0.563 93 D N 0.667 121.208 120.400 0.235 0.000 2.127 93 D HA -0.177 4.464 4.640 0.001 0.000 0.190 93 D C 2.506 178.894 176.300 0.147 0.000 1.000 93 D CA 1.724 55.810 54.000 0.144 0.000 0.839 93 D CB -0.315 40.519 40.800 0.057 0.000 0.955 93 D HN 0.105 nan 8.370 nan 0.000 0.446 94 V N 0.972 120.969 119.914 0.139 0.000 2.255 94 V HA -0.253 3.868 4.120 0.001 0.000 0.247 94 V C 2.281 178.485 176.094 0.183 0.000 1.051 94 V CA 1.662 64.039 62.300 0.129 0.000 1.018 94 V CB -0.716 31.174 31.823 0.112 0.000 0.641 94 V HN 0.123 nan 8.190 nan 0.000 0.445 95 F N 1.263 121.284 119.950 0.118 0.000 2.126 95 F HA -0.217 4.311 4.527 0.001 0.000 0.299 95 F C 2.492 178.388 175.800 0.160 0.000 1.096 95 F CA 1.890 59.982 58.000 0.153 0.000 1.255 95 F CB -0.234 38.899 39.000 0.222 0.000 0.997 95 F HN -0.048 nan 8.300 nan 0.000 0.479 96 R N 0.304 120.939 120.500 0.225 0.000 2.193 96 R HA -0.040 4.301 4.340 0.001 0.000 0.229 96 R C 2.100 178.423 176.300 0.037 0.000 1.110 96 R CA 1.216 57.394 56.100 0.131 0.000 0.988 96 R CB -0.332 30.140 30.300 0.288 0.000 0.871 96 R HN 0.305 nan 8.270 nan 0.000 0.458 97 R N -0.199 120.322 120.500 0.035 0.000 2.280 97 R HA 0.103 4.443 4.340 0.001 0.000 0.195 97 R C -0.050 176.249 176.300 -0.002 0.000 0.935 97 R CA 0.069 56.185 56.100 0.027 0.000 1.033 97 R CB 0.301 30.623 30.300 0.038 0.000 0.964 97 R HN 0.272 nan 8.270 nan 0.000 0.489 98 E N 2.061 122.226 120.200 -0.058 0.000 2.390 98 E HA 0.114 4.465 4.350 0.001 0.000 0.261 98 E C -2.184 174.397 176.600 -0.031 0.000 1.076 98 E CA -1.657 54.713 56.400 -0.050 0.000 0.905 98 E CB 0.678 30.328 29.700 -0.083 0.000 0.984 98 E HN 0.000 nan 8.360 nan 0.000 0.427 99 P HA 0.193 nan 4.420 nan 0.000 0.285 99 P C -0.997 176.439 177.300 0.226 0.000 1.285 99 P CA -0.276 62.975 63.100 0.253 0.000 0.854 99 P CB 1.158 32.947 31.700 0.148 0.000 1.180 100 A N 0.463 123.562 122.820 0.465 0.000 2.667 100 A HA -0.117 4.204 4.320 0.001 0.000 0.298 100 A C 0.772 178.419 177.584 0.105 0.000 1.483 100 A CA 1.349 53.513 52.037 0.211 0.000 0.738 100 A CB -2.919 16.145 19.000 0.106 0.000 1.067 100 A HN 0.740 nan 8.150 nan 0.000 0.451 101 T N -3.098 111.481 114.554 0.041 0.000 3.084 101 T HA 0.385 4.736 4.350 0.001 0.000 0.270 101 T C 1.324 176.075 174.700 0.086 0.000 1.008 101 T CA 0.633 62.745 62.100 0.021 0.000 0.900 101 T CB -0.529 68.188 68.868 -0.252 0.000 1.084 101 T HN 0.961 nan 8.240 nan 0.000 0.538 102 I N 1.008 121.615 120.570 0.062 0.000 2.194 102 I HA -0.001 4.170 4.170 0.001 0.000 0.246 102 I C 2.507 178.678 176.117 0.091 0.000 1.093 102 I CA 1.139 62.481 61.300 0.070 0.000 1.355 102 I CB -1.039 36.992 38.000 0.051 0.000 1.046 102 I HN 0.109 nan 8.210 nan 0.000 0.413 103 R N 1.361 121.914 120.500 0.089 0.000 2.091 103 R HA -0.179 4.161 4.340 0.001 0.000 0.238 103 R C 1.801 178.180 176.300 0.131 0.000 1.136 103 R CA 1.814 57.946 56.100 0.053 0.000 0.959 103 R CB -0.814 29.536 30.300 0.083 0.000 0.856 103 R HN 0.434 nan 8.270 nan 0.000 0.437 104 D N -0.530 120.042 120.400 0.287 0.000 2.178 104 D HA -0.072 4.568 4.640 0.001 0.000 0.202 104 D C 1.882 178.402 176.300 0.366 0.000 0.974 104 D CA 0.951 55.195 54.000 0.407 0.000 0.841 104 D CB -0.045 41.044 40.800 0.482 0.000 0.953 104 D HN 0.245 nan 8.370 nan 0.000 0.478 105 R N -0.317 120.380 120.500 0.328 0.000 2.115 105 R HA 0.019 4.359 4.340 0.001 0.000 0.226 105 R C 2.133 178.562 176.300 0.216 0.000 1.100 105 R CA 0.699 56.966 56.100 0.279 0.000 0.980 105 R CB -0.002 30.430 30.300 0.220 0.000 0.875 105 R HN 0.147 nan 8.270 nan 0.000 0.445 106 M N -0.235 119.444 119.600 0.133 0.000 2.132 106 M HA -0.108 4.372 4.480 0.001 0.000 0.263 106 M C 1.938 178.351 176.300 0.189 0.000 1.065 106 M CA 1.640 56.992 55.300 0.087 0.000 1.122 106 M CB -0.998 31.573 32.600 -0.048 0.000 1.365 106 M HN 0.177 nan 8.290 nan 0.000 0.411 107 H N 0.181 119.373 119.070 0.203 0.000 2.353 107 H HA -0.044 4.513 4.556 0.001 0.000 0.300 107 H C 2.363 177.846 175.328 0.258 0.000 1.090 107 H CA 1.285 57.452 56.048 0.198 0.000 1.327 107 H CB -0.521 29.323 29.762 0.137 0.000 1.383 107 H HN 0.307 nan 8.280 nan 0.000 0.508 108 L N -0.100 121.342 121.223 0.364 0.000 2.013 108 L HA -0.238 4.102 4.340 0.001 0.000 0.212 108 L C 2.559 179.633 176.870 0.340 0.000 1.073 108 L CA 1.335 56.362 54.840 0.311 0.000 0.753 108 L CB -0.459 41.727 42.059 0.212 0.000 0.890 108 L HN 0.132 nan 8.230 nan 0.000 0.432 109 F N -0.396 119.654 119.950 0.167 0.000 2.063 109 F HA -0.382 4.145 4.527 0.001 0.000 0.298 109 F C 2.451 178.351 175.800 0.166 0.000 1.109 109 F CA 2.172 60.243 58.000 0.119 0.000 1.212 109 F CB -0.689 38.347 39.000 0.060 0.000 0.973 109 F HN 0.086 nan 8.300 nan 0.000 0.480 110 Y N 0.965 121.385 120.300 0.200 0.000 2.224 110 Y HA -0.210 4.341 4.550 0.001 0.000 0.289 110 Y C 2.575 178.472 175.900 -0.006 0.000 1.146 110 Y CA 2.112 60.260 58.100 0.079 0.000 1.182 110 Y CB -0.618 37.954 38.460 0.186 0.000 0.983 110 Y HN 0.345 nan 8.280 nan 0.000 0.524 111 E N -1.165 119.130 120.200 0.159 0.000 2.077 111 E HA -0.250 4.100 4.350 0.001 0.000 0.193 111 E C 1.471 177.937 176.600 -0.223 0.000 0.989 111 E CA 1.741 58.133 56.400 -0.013 0.000 0.800 111 E CB -0.133 29.593 29.700 0.042 0.000 0.746 111 E HN 0.676 nan 8.360 nan 0.000 0.452 112 H N -1.140 117.845 119.070 -0.141 0.000 2.520 112 H HA 0.237 4.793 4.556 0.001 0.000 0.279 112 H C 1.652 176.813 175.328 -0.279 0.000 0.990 112 H CA 0.845 56.789 56.048 -0.173 0.000 1.288 112 H CB 0.269 29.951 29.762 -0.133 0.000 1.446 112 H HN 0.220 nan 8.280 nan 0.000 0.538 113 A N 0.465 123.082 122.820 -0.339 0.000 1.930 113 A HA -0.094 4.226 4.320 0.001 0.000 0.217 113 A C 2.361 179.732 177.584 -0.355 0.000 1.175 113 A CA 1.345 53.094 52.037 -0.481 0.000 0.627 113 A CB -0.733 17.704 19.000 -0.938 0.000 0.815 113 A HN 0.215 nan 8.150 nan 0.000 0.443 114 V N 0.594 120.258 119.914 -0.416 0.000 2.261 114 V HA -0.173 3.948 4.120 0.001 0.000 0.246 114 V C -0.008 175.950 176.094 -0.227 0.000 1.047 114 V CA 2.563 64.645 62.300 -0.365 0.000 1.015 114 V CB -1.631 29.887 31.823 -0.509 0.000 0.642 114 V HN 0.362 nan 8.190 nan 0.000 0.446 115 P HA -0.185 nan 4.420 nan 0.000 0.214 115 P C 1.924 179.161 177.300 -0.107 0.000 1.163 115 P CA 1.406 64.425 63.100 -0.134 0.000 0.889 115 P CB -0.105 31.520 31.700 -0.126 0.000 0.790 116 L N -0.420 120.737 121.223 -0.109 0.000 1.994 116 L HA -0.107 4.234 4.340 0.001 0.000 0.208 116 L C 2.269 179.088 176.870 -0.084 0.000 1.071 116 L CA 2.231 57.022 54.840 -0.082 0.000 0.745 116 L CB -1.632 40.380 42.059 -0.078 0.000 0.892 116 L HN -0.116 nan 8.230 nan 0.000 0.431 117 A N -1.105 121.649 122.820 -0.110 0.000 1.883 117 A HA -0.178 4.143 4.320 0.001 0.000 0.217 117 A C 2.287 179.825 177.584 -0.076 0.000 1.186 117 A CA 2.168 54.151 52.037 -0.091 0.000 0.624 117 A CB -1.221 17.716 19.000 -0.105 0.000 0.822 117 A HN 0.327 nan 8.150 nan 0.000 0.444 118 V N 0.462 120.326 119.914 -0.085 0.000 2.287 118 V HA -0.286 3.834 4.120 0.001 0.000 0.248 118 V C 2.367 178.428 176.094 -0.055 0.000 1.053 118 V CA 2.614 64.874 62.300 -0.067 0.000 1.027 118 V CB -0.821 30.958 31.823 -0.073 0.000 0.646 118 V HN 0.758 nan 8.190 nan 0.000 0.447 119 D N -0.373 119.994 120.400 -0.056 0.000 2.144 119 D HA -0.138 4.503 4.640 0.001 0.000 0.200 119 D C 1.954 178.225 176.300 -0.047 0.000 0.978 119 D CA 1.277 55.249 54.000 -0.047 0.000 0.833 119 D CB 0.001 40.775 40.800 -0.043 0.000 0.961 119 D HN 0.230 nan 8.370 nan 0.000 0.470 120 V N -0.087 119.796 119.914 -0.053 0.000 2.358 120 V HA -0.173 3.948 4.120 0.001 0.000 0.246 120 V C 2.513 178.574 176.094 -0.054 0.000 1.047 120 V CA 1.729 63.994 62.300 -0.058 0.000 1.035 120 V CB -0.549 31.238 31.823 -0.060 0.000 0.658 120 V HN 0.194 nan 8.190 nan 0.000 0.452 121 S N -0.406 115.266 115.700 -0.047 0.000 2.356 121 S HA -0.208 4.262 4.470 0.001 0.000 0.223 121 S C 1.996 176.577 174.600 -0.031 0.000 1.032 121 S CA 1.435 59.612 58.200 -0.039 0.000 1.005 121 S CB -0.279 62.899 63.200 -0.037 0.000 0.867 121 S HN 0.547 nan 8.310 nan 0.000 0.449 122 K N 1.002 121.383 120.400 -0.032 0.000 2.044 122 K HA -0.064 4.256 4.320 0.001 0.000 0.210 122 K C 2.357 178.941 176.600 -0.028 0.000 1.049 122 K CA 1.214 57.485 56.287 -0.026 0.000 0.927 122 K CB -0.159 32.325 32.500 -0.028 0.000 0.713 122 K HN 0.247 nan 8.250 nan 0.000 0.443 123 R N -0.127 120.352 120.500 -0.037 0.000 2.148 123 R HA -0.042 4.299 4.340 0.001 0.000 0.227 123 R C 2.178 178.452 176.300 -0.043 0.000 1.103 123 R CA 0.955 57.030 56.100 -0.041 0.000 0.983 123 R CB -0.138 30.132 30.300 -0.051 0.000 0.874 123 R HN 0.176 nan 8.270 nan 0.000 0.451 124 A N 0.782 123.577 122.820 -0.041 0.000 2.016 124 A HA 0.009 4.330 4.320 0.001 0.000 0.217 124 A C 1.999 179.576 177.584 -0.012 0.000 1.162 124 A CA 0.740 52.755 52.037 -0.036 0.000 0.662 124 A CB -0.069 18.907 19.000 -0.039 0.000 0.812 124 A HN 0.152 nan 8.150 nan 0.000 0.450 125 L N -1.315 119.906 121.223 -0.003 0.000 2.354 125 L HA 0.070 4.410 4.340 0.001 0.000 0.212 125 L C 2.896 179.764 176.870 -0.004 0.000 1.091 125 L CA 0.584 55.437 54.840 0.021 0.000 0.828 125 L CB -0.355 41.723 42.059 0.031 0.000 0.973 125 L HN 0.370 nan 8.230 nan 0.000 0.461 126 A N 0.811 123.619 122.820 -0.019 0.000 1.940 126 A HA -0.245 4.076 4.320 0.001 0.000 0.221 126 A C 2.285 179.843 177.584 -0.044 0.000 1.190 126 A CA 2.167 54.186 52.037 -0.029 0.000 0.647 126 A CB -1.248 17.733 19.000 -0.031 0.000 0.821 126 A HN 0.450 nan 8.150 nan 0.000 0.457 127 G N -1.553 107.218 108.800 -0.048 0.000 2.572 127 G HA2 0.293 4.254 3.960 0.001 0.000 0.216 127 G HA3 0.293 4.254 3.960 0.001 0.000 0.216 127 G C 0.497 175.335 174.900 -0.104 0.000 1.133 127 G CA 0.152 45.214 45.100 -0.064 0.000 0.791 127 G HN 0.297 nan 8.290 nan 0.000 0.538 128 L N 0.738 121.886 121.223 -0.125 0.000 2.379 128 L HA 0.351 4.692 4.340 0.001 0.000 0.269 128 L C -1.692 174.980 176.870 -0.330 0.000 1.084 128 L CA -2.268 52.399 54.840 -0.288 0.000 0.802 128 L CB 0.956 42.835 42.059 -0.299 0.000 1.175 128 L HN -0.076 nan 8.230 nan 0.000 0.448 129 P HA 0.160 nan 4.420 nan 0.000 0.236 129 P C -1.022 176.118 177.300 -0.267 0.000 1.749 129 P CA -0.172 62.738 63.100 -0.316 0.000 0.994 129 P CB -0.036 31.508 31.700 -0.261 0.000 1.599 130 Y N 0.320 120.617 120.300 -0.004 0.000 2.323 130 Y HA 0.515 5.065 4.550 0.001 0.000 0.331 130 Y C 1.204 177.102 175.900 -0.003 0.000 1.092 130 Y CA -1.181 56.919 58.100 -0.001 0.000 1.150 130 Y CB 0.871 39.332 38.460 0.001 0.000 1.200 130 Y HN -0.108 nan 8.280 nan 0.000 0.472 131 R N 1.118 121.727 120.500 0.182 0.000 2.457 131 R HA 0.598 4.938 4.340 0.001 0.000 0.284 131 R C 1.045 177.390 176.300 0.074 0.000 1.024 131 R CA 0.221 56.377 56.100 0.093 0.000 1.025 131 R CB 0.934 31.274 30.300 0.066 0.000 1.063 131 R HN 0.833 nan 8.270 nan 0.000 0.493 132 A N 3.108 125.955 122.820 0.045 0.000 2.054 132 A HA -0.257 4.063 4.320 0.001 0.000 0.223 132 A C 1.807 179.401 177.584 0.016 0.000 1.169 132 A CA 2.324 54.377 52.037 0.026 0.000 0.655 132 A CB -0.933 18.076 19.000 0.015 0.000 0.812 132 A HN 0.776 nan 8.150 nan 0.000 0.462 133 A N -0.793 122.039 122.820 0.021 0.000 2.119 133 A HA 0.001 4.321 4.320 0.001 0.000 0.216 133 A C 1.705 179.293 177.584 0.008 0.000 1.152 133 A CA 1.191 53.236 52.037 0.013 0.000 0.708 133 A CB -0.261 18.749 19.000 0.017 0.000 0.805 133 A HN 0.656 nan 8.150 nan 0.000 0.460 134 E N -0.598 119.606 120.200 0.007 0.000 2.474 134 E HA 0.162 4.513 4.350 0.001 0.000 0.194 134 E C -0.466 176.093 176.600 -0.068 0.000 1.041 134 E CA -0.121 56.259 56.400 -0.033 0.000 0.874 134 E CB 0.167 29.834 29.700 -0.054 0.000 0.914 134 E HN 0.615 nan 8.360 nan 0.000 0.498 135 I N 1.256 121.800 120.570 -0.043 0.000 2.269 135 I HA 0.122 4.293 4.170 0.001 0.000 0.293 135 I C 1.245 177.330 176.117 -0.053 0.000 1.106 135 I CA -0.271 60.995 61.300 -0.056 0.000 1.248 135 I CB 1.208 39.182 38.000 -0.043 0.000 1.444 135 I HN 0.018 nan 8.210 nan 0.000 0.497 136 G N 6.437 115.220 108.800 -0.028 0.000 2.744 136 G HA2 0.165 4.126 3.960 0.001 0.000 0.211 136 G HA3 0.165 4.126 3.960 0.001 0.000 0.211 136 G C 0.091 174.756 174.900 -0.391 0.000 1.146 136 G CA 0.265 45.334 45.100 -0.051 0.000 0.787 136 G HN 0.397 nan 8.290 nan 0.000 0.534 137 L N 0.061 120.958 121.223 -0.543 0.000 2.431 137 L HA 0.763 5.104 4.340 0.001 0.000 0.266 137 L C -1.866 174.815 176.870 -0.314 0.000 0.978 137 L CA -1.173 53.298 54.840 -0.614 0.000 0.822 137 L CB 2.426 43.795 42.059 -1.150 0.000 1.310 137 L HN -0.085 nan 8.230 nan 0.000 0.409 138 L N 6.038 127.129 121.223 -0.221 0.000 2.342 138 L HA 0.705 5.046 4.340 0.001 0.000 0.276 138 L C -1.427 175.379 176.870 -0.107 0.000 0.997 138 L CA -0.323 54.439 54.840 -0.131 0.000 0.838 138 L CB 1.719 43.724 42.059 -0.088 0.000 1.224 138 L HN 0.391 nan 8.230 nan 0.000 0.416 139 V N 6.025 125.886 119.914 -0.088 0.000 2.370 139 V HA 0.446 4.567 4.120 0.001 0.000 0.283 139 V C -0.348 175.726 176.094 -0.033 0.000 1.023 139 V CA -0.636 61.629 62.300 -0.058 0.000 0.857 139 V CB 1.515 33.306 31.823 -0.054 0.000 0.985 139 V HN 0.590 nan 8.190 nan 0.000 0.443 140 L N 5.097 126.311 121.223 -0.014 0.000 2.313 140 L HA 0.870 5.211 4.340 0.001 0.000 0.283 140 L C -0.006 176.873 176.870 0.015 0.000 1.013 140 L CA -0.201 54.642 54.840 0.005 0.000 0.816 140 L CB 1.268 43.342 42.059 0.024 0.000 1.236 140 L HN 0.770 nan 8.230 nan 0.000 0.419 141 A N 3.849 126.677 122.820 0.014 0.000 2.331 141 A HA 0.905 5.225 4.320 0.001 0.000 0.320 141 A C -0.610 176.987 177.584 0.021 0.000 1.138 141 A CA -0.273 51.772 52.037 0.013 0.000 0.790 141 A CB 1.265 20.262 19.000 -0.004 0.000 1.206 141 A HN 0.781 nan 8.150 nan 0.000 0.470 142 T N 0.529 115.088 114.554 0.009 0.000 2.830 142 T HA 0.482 4.833 4.350 0.001 0.000 0.322 142 T C 0.045 174.698 174.700 -0.078 0.000 1.501 142 T CA -0.352 61.733 62.100 -0.025 0.000 1.036 142 T CB 1.695 70.551 68.868 -0.020 0.000 1.379 142 T HN 0.465 nan 8.240 nan 0.000 0.493 143 S N 0.277 115.906 115.700 -0.118 0.000 2.993 143 S HA 0.158 4.629 4.470 0.001 0.000 0.257 143 S C 1.138 175.633 174.600 -0.176 0.000 0.997 143 S CA 0.046 58.226 58.200 -0.033 0.000 1.191 143 S CB 0.454 63.706 63.200 0.088 0.000 1.143 143 S HN 0.925 nan 8.310 nan 0.000 0.655 144 T N -1.167 113.165 114.554 -0.370 0.000 3.145 144 T HA 0.552 4.903 4.350 0.001 0.000 0.281 144 T C 0.463 174.643 174.700 -0.867 0.000 1.003 144 T CA -0.020 61.863 62.100 -0.363 0.000 0.901 144 T CB 1.038 69.874 68.868 -0.053 0.000 1.112 144 T HN 0.305 nan 8.240 nan 0.000 0.535 145 G N 0.615 108.522 108.800 -1.489 0.000 2.755 145 G HA2 0.559 4.519 3.960 0.001 0.000 0.297 145 G HA3 0.559 4.519 3.960 0.001 0.000 0.297 145 G C -1.991 172.119 174.900 -1.317 0.000 1.441 145 G CA -0.744 43.227 45.100 -1.882 0.000 0.964 145 G HN 0.127 nan 8.290 nan 0.000 0.540 146 F N 1.647 121.342 119.950 -0.426 0.000 2.716 146 F HA 0.594 5.121 4.527 0.001 0.000 0.354 146 F C -0.457 175.249 175.800 -0.157 0.000 1.168 146 F CA -0.960 56.888 58.000 -0.253 0.000 1.045 146 F CB 1.852 40.699 39.000 -0.255 0.000 1.311 146 F HN 0.420 nan 8.300 nan 0.000 0.477 147 I N 0.355 120.976 120.570 0.084 0.000 2.722 147 I HA 0.826 4.997 4.170 0.001 0.000 0.295 147 I C 0.549 176.669 176.117 0.005 0.000 1.161 147 I CA -1.299 60.010 61.300 0.015 0.000 1.032 147 I CB 0.620 38.619 38.000 -0.001 0.000 1.244 147 I HN 0.496 nan 8.210 nan 0.000 0.421 148 A N 4.686 127.481 122.820 -0.041 0.000 3.069 148 A HA -0.029 4.291 4.320 0.001 0.000 0.201 148 A C -1.503 176.070 177.584 -0.018 0.000 0.834 148 A CA 1.389 53.405 52.037 -0.035 0.000 1.140 148 A CB -2.436 16.534 19.000 -0.049 0.000 0.712 148 A HN 0.734 nan 8.150 nan 0.000 0.519 149 P HA 0.392 nan 4.420 nan 0.000 0.276 149 P C 0.154 177.483 177.300 0.048 0.000 1.253 149 P CA 0.681 63.789 63.100 0.012 0.000 0.766 149 P CB 0.984 32.689 31.700 0.009 0.000 0.845 150 G N 1.240 110.124 108.800 0.140 0.000 2.641 150 G HA2 0.211 4.171 3.960 0.001 0.000 0.239 150 G HA3 0.211 4.171 3.960 0.001 0.000 0.239 150 G C 1.004 176.130 174.900 0.377 0.000 1.402 150 G CA -0.578 44.694 45.100 0.287 0.000 1.046 150 G HN 0.237 nan 8.290 nan 0.000 0.565 151 V N 1.695 121.786 119.914 0.295 0.000 2.594 151 V HA -0.130 3.990 4.120 0.001 0.000 0.253 151 V C 2.663 178.795 176.094 0.062 0.000 1.069 151 V CA 2.299 64.663 62.300 0.107 0.000 1.082 151 V CB -0.670 31.177 31.823 0.040 0.000 0.680 151 V HN 0.836 nan 8.190 nan 0.000 0.469 152 D N 0.408 120.855 120.400 0.078 0.000 2.097 152 D HA -0.153 4.488 4.640 0.001 0.000 0.195 152 D C 2.063 178.384 176.300 0.035 0.000 0.989 152 D CA 1.441 55.463 54.000 0.038 0.000 0.827 152 D CB -0.638 40.180 40.800 0.031 0.000 0.966 152 D HN 0.352 nan 8.370 nan 0.000 0.456 153 V N 1.658 121.610 119.914 0.063 0.000 2.407 153 V HA -0.184 3.936 4.120 0.001 0.000 0.248 153 V C 2.923 179.049 176.094 0.055 0.000 1.055 153 V CA 1.791 64.125 62.300 0.056 0.000 1.049 153 V CB -0.874 30.992 31.823 0.072 0.000 0.662 153 V HN 0.389 nan 8.190 nan 0.000 0.455 154 A N -0.317 122.548 122.820 0.075 0.000 1.969 154 A HA -0.129 4.192 4.320 0.001 0.000 0.218 154 A C 2.164 179.744 177.584 -0.006 0.000 1.169 154 A CA 1.621 53.681 52.037 0.038 0.000 0.635 154 A CB -0.458 18.538 19.000 -0.006 0.000 0.810 154 A HN 0.522 nan 8.150 nan 0.000 0.445 155 I N -0.714 119.849 120.570 -0.012 0.000 2.286 155 I HA -0.175 3.995 4.170 0.001 0.000 0.245 155 I C 2.300 178.407 176.117 -0.017 0.000 1.104 155 I CA 0.878 62.163 61.300 -0.025 0.000 1.397 155 I CB -0.272 37.711 38.000 -0.028 0.000 1.072 155 I HN 0.133 nan 8.210 nan 0.000 0.417 156 V N 1.122 121.030 119.914 -0.009 0.000 2.392 156 V HA -0.298 3.822 4.120 0.001 0.000 0.249 156 V C 2.413 178.504 176.094 -0.005 0.000 1.059 156 V CA 1.872 64.166 62.300 -0.010 0.000 1.051 156 V CB -0.671 31.147 31.823 -0.008 0.000 0.658 156 V HN 0.400 nan 8.190 nan 0.000 0.455 157 K N -0.461 119.940 120.400 0.001 0.000 2.007 157 K HA -0.148 4.173 4.320 0.001 0.000 0.206 157 K C 2.242 178.840 176.600 -0.003 0.000 1.047 157 K CA 1.322 57.611 56.287 0.003 0.000 0.937 157 K CB -0.186 32.323 32.500 0.014 0.000 0.718 157 K HN 0.276 nan 8.250 nan 0.000 0.438 158 E N 0.825 121.019 120.200 -0.010 0.000 2.110 158 E HA -0.130 4.220 4.350 0.001 0.000 0.193 158 E C 1.421 178.011 176.600 -0.016 0.000 0.988 158 E CA 1.003 57.393 56.400 -0.017 0.000 0.804 158 E CB 0.061 29.742 29.700 -0.031 0.000 0.745 158 E HN 0.052 nan 8.360 nan 0.000 0.458 159 L N -1.165 120.048 121.223 -0.016 0.000 2.592 159 L HA 0.274 4.614 4.340 0.001 0.000 0.227 159 L C 1.205 178.071 176.870 -0.007 0.000 1.127 159 L CA 0.799 55.631 54.840 -0.013 0.000 0.884 159 L CB -0.025 42.026 42.059 -0.015 0.000 1.065 159 L HN 0.225 nan 8.230 nan 0.000 0.457 160 G N 0.118 108.915 108.800 -0.006 0.000 2.246 160 G HA2 -0.269 3.692 3.960 0.001 0.000 0.273 160 G HA3 -0.269 3.692 3.960 0.001 0.000 0.273 160 G C 0.326 175.225 174.900 -0.003 0.000 1.055 160 G CA 0.157 45.255 45.100 -0.003 0.000 0.851 160 G HN 0.260 nan 8.290 nan 0.000 0.500 161 L N -0.051 121.168 121.223 -0.006 0.000 2.475 161 L HA 0.480 4.821 4.340 0.001 0.000 0.253 161 L C 1.532 178.396 176.870 -0.010 0.000 1.198 161 L CA -0.089 54.745 54.840 -0.010 0.000 0.814 161 L CB 0.782 42.830 42.059 -0.019 0.000 1.134 161 L HN 0.292 nan 8.230 nan 0.000 0.478 162 S N 0.465 116.157 115.700 -0.013 0.000 2.549 162 S HA 0.132 4.602 4.470 0.001 0.000 0.283 162 S C -1.660 172.932 174.600 -0.014 0.000 1.320 162 S CA -1.110 57.083 58.200 -0.011 0.000 1.058 162 S CB 0.825 64.017 63.200 -0.012 0.000 0.882 162 S HN 0.329 nan 8.310 nan 0.000 0.498 163 P HA -0.009 nan 4.420 nan 0.000 0.230 163 P C 0.804 178.097 177.300 -0.012 0.000 1.158 163 P CA 0.629 63.724 63.100 -0.008 0.000 0.769 163 P CB 0.064 31.762 31.700 -0.003 0.000 0.807 164 S N -2.164 113.528 115.700 -0.014 0.000 2.557 164 S HA 0.168 4.638 4.470 0.001 0.000 0.223 164 S C 0.647 175.230 174.600 -0.028 0.000 0.969 164 S CA -0.450 57.741 58.200 -0.016 0.000 0.927 164 S CB -0.857 62.337 63.200 -0.010 0.000 0.806 164 S HN -0.029 nan 8.310 nan 0.000 0.489 165 I N 2.810 123.358 120.570 -0.038 0.000 2.813 165 I HA 0.052 4.222 4.170 0.001 0.000 0.287 165 I C 0.373 176.441 176.117 -0.082 0.000 1.196 165 I CA -0.079 61.181 61.300 -0.066 0.000 1.421 165 I CB 0.676 38.633 38.000 -0.072 0.000 1.365 165 I HN 0.175 nan 8.210 nan 0.000 0.591 166 S N 6.099 121.722 115.700 -0.129 0.000 2.548 166 S HA 0.403 4.874 4.470 0.001 0.000 0.277 166 S C -0.095 174.418 174.600 -0.145 0.000 1.315 166 S CA -0.548 57.573 58.200 -0.131 0.000 1.050 166 S CB 0.735 63.834 63.200 -0.169 0.000 0.918 166 S HN 0.457 nan 8.310 nan 0.000 0.497 167 R N 1.263 121.708 120.500 -0.091 0.000 2.686 167 R HA 0.703 5.044 4.340 0.001 0.000 0.286 167 R C -1.667 174.602 176.300 -0.052 0.000 0.969 167 R CA -0.639 55.416 56.100 -0.074 0.000 0.898 167 R CB 1.936 32.210 30.300 -0.043 0.000 1.183 167 R HN 0.405 nan 8.270 nan 0.000 0.456 168 V N 3.164 123.049 119.914 -0.047 0.000 2.612 168 V HA 0.308 4.429 4.120 0.001 0.000 0.301 168 V C -0.682 175.407 176.094 -0.008 0.000 1.059 168 V CA -0.862 61.423 62.300 -0.024 0.000 0.886 168 V CB 2.133 33.940 31.823 -0.027 0.000 1.007 168 V HN 0.446 nan 8.190 nan 0.000 0.426 169 V N 5.384 125.303 119.914 0.009 0.000 2.370 169 V HA 0.424 4.545 4.120 0.001 0.000 0.279 169 V C -0.056 176.058 176.094 0.034 0.000 1.029 169 V CA -0.609 61.706 62.300 0.026 0.000 0.870 169 V CB 1.783 33.631 31.823 0.041 0.000 0.984 169 V HN 0.608 nan 8.190 nan 0.000 0.451 170 V N 5.807 125.742 119.914 0.035 0.000 2.318 170 V HA 0.426 4.546 4.120 0.001 0.000 0.271 170 V C -0.048 176.091 176.094 0.074 0.000 1.030 170 V CA -0.539 61.789 62.300 0.046 0.000 0.844 170 V CB 0.754 32.593 31.823 0.027 0.000 1.015 170 V HN 0.842 nan 8.190 nan 0.000 0.460 171 N N 3.898 122.670 118.700 0.120 0.000 2.314 171 N HA 0.544 5.284 4.740 0.001 0.000 0.304 171 N C -0.102 175.607 175.510 0.331 0.000 1.073 171 N CA -0.640 52.530 53.050 0.200 0.000 0.822 171 N CB 1.633 40.318 38.487 0.329 0.000 1.280 171 N HN 0.479 nan 8.380 nan 0.000 0.489 172 F N 0.006 120.016 119.950 0.101 0.000 3.043 172 F HA -0.191 4.337 4.527 0.001 0.000 0.290 172 F C 0.924 176.746 175.800 0.037 0.000 0.844 172 F CA 0.175 58.227 58.000 0.088 0.000 1.184 172 F CB -1.399 37.687 39.000 0.144 0.000 1.246 172 F HN 0.590 nan 8.300 nan 0.000 0.536 173 M N -0.811 118.870 119.600 0.134 0.000 2.383 173 M HA 0.318 4.799 4.480 0.001 0.000 0.247 173 M C 1.621 177.905 176.300 -0.026 0.000 1.117 173 M CA 0.801 56.124 55.300 0.039 0.000 0.995 173 M CB -0.236 32.381 32.600 0.029 0.000 1.480 173 M HN 0.421 nan 8.290 nan 0.000 0.485 174 G N 0.936 109.709 108.800 -0.045 0.000 2.574 174 G HA2 -0.315 3.646 3.960 0.001 0.000 0.282 174 G HA3 -0.315 3.646 3.960 0.001 0.000 0.282 174 G C 0.471 175.286 174.900 -0.141 0.000 1.257 174 G CA 0.079 45.118 45.100 -0.102 0.000 0.956 174 G HN 0.454 nan 8.290 nan 0.000 0.560 175 C N 1.195 120.377 119.300 -0.197 0.000 2.449 175 C HA 0.383 4.844 4.460 0.001 0.000 0.283 175 C C 2.950 177.686 174.990 -0.423 0.000 1.453 175 C CA 1.619 60.416 59.018 -0.369 0.000 1.779 175 C CB -1.556 25.890 27.740 -0.490 0.000 1.779 175 C HN 1.214 nan 8.230 nan 0.000 0.546 176 A N -0.119 122.553 122.820 -0.248 0.000 2.348 176 A HA 0.568 4.888 4.320 0.001 0.000 0.224 176 A C 2.091 179.591 177.584 -0.139 0.000 1.227 176 A CA 0.827 52.738 52.037 -0.210 0.000 0.885 176 A CB -0.332 18.570 19.000 -0.162 0.000 0.933 176 A HN 0.412 nan 8.150 nan 0.000 0.506 177 A N 0.603 123.356 122.820 -0.110 0.000 1.927 177 A HA -0.024 4.297 4.320 0.001 0.000 0.220 177 A C 2.443 179.987 177.584 -0.067 0.000 1.185 177 A CA 2.237 54.234 52.037 -0.066 0.000 0.639 177 A CB -0.983 17.991 19.000 -0.043 0.000 0.820 177 A HN 1.218 nan 8.150 nan 0.000 0.451 178 A N -1.018 121.755 122.820 -0.080 0.000 1.927 178 A HA -0.237 4.084 4.320 0.001 0.000 0.220 178 A C 2.175 179.713 177.584 -0.076 0.000 1.185 178 A CA 2.289 54.284 52.037 -0.070 0.000 0.639 178 A CB -0.498 18.460 19.000 -0.070 0.000 0.820 178 A HN 0.479 nan 8.150 nan 0.000 0.451 179 M N -0.028 119.514 119.600 -0.098 0.000 2.156 179 M HA -0.077 4.403 4.480 0.001 0.000 0.264 179 M C 1.685 177.936 176.300 -0.081 0.000 1.067 179 M CA 1.098 56.333 55.300 -0.108 0.000 1.131 179 M CB -1.590 30.914 32.600 -0.159 0.000 1.368 179 M HN 0.485 nan 8.290 nan 0.000 0.416 180 N N 0.555 119.215 118.700 -0.067 0.000 2.188 180 N HA -0.047 4.693 4.740 0.001 0.000 0.184 180 N C 1.738 177.232 175.510 -0.026 0.000 1.018 180 N CA 1.461 54.486 53.050 -0.040 0.000 0.858 180 N CB -0.032 38.438 38.487 -0.027 0.000 0.989 180 N HN 0.310 nan 8.380 nan 0.000 0.426 181 A N 1.583 124.385 122.820 -0.031 0.000 1.872 181 A HA -0.064 4.257 4.320 0.001 0.000 0.214 181 A C 2.248 179.817 177.584 -0.024 0.000 1.187 181 A CA 0.741 52.763 52.037 -0.024 0.000 0.614 181 A CB -0.687 18.296 19.000 -0.028 0.000 0.826 181 A HN 0.191 nan 8.150 nan 0.000 0.442 182 L N 0.394 121.596 121.223 -0.034 0.000 2.042 182 L HA -0.063 4.278 4.340 0.001 0.000 0.210 182 L C 2.345 179.208 176.870 -0.012 0.000 1.076 182 L CA 2.395 57.217 54.840 -0.030 0.000 0.749 182 L CB -1.059 40.971 42.059 -0.047 0.000 0.893 182 L HN 0.301 nan 8.230 nan 0.000 0.432 183 G N -2.072 106.719 108.800 -0.015 0.000 2.422 183 G HA2 -0.251 3.710 3.960 0.001 0.000 0.218 183 G HA3 -0.251 3.710 3.960 0.001 0.000 0.218 183 G C 1.456 176.370 174.900 0.023 0.000 1.146 183 G CA 1.180 46.280 45.100 0.001 0.000 0.769 183 G HN 0.441 nan 8.290 nan 0.000 0.547 184 T N 1.290 115.857 114.554 0.021 0.000 2.821 184 T HA 0.097 4.448 4.350 0.001 0.000 0.267 184 T C 2.788 177.531 174.700 0.072 0.000 1.046 184 T CA 1.329 63.452 62.100 0.040 0.000 1.139 184 T CB -0.226 68.652 68.868 0.016 0.000 0.871 184 T HN 0.363 nan 8.240 nan 0.000 0.454 185 A N 1.649 124.497 122.820 0.047 0.000 1.929 185 A HA -0.068 4.252 4.320 0.001 0.000 0.216 185 A C 2.590 180.248 177.584 0.123 0.000 1.176 185 A CA 1.952 54.033 52.037 0.074 0.000 0.628 185 A CB -1.021 17.991 19.000 0.019 0.000 0.816 185 A HN 0.612 nan 8.150 nan 0.000 0.444 186 T N -2.005 112.593 114.554 0.075 0.000 2.904 186 T HA -0.103 4.247 4.350 0.001 0.000 0.267 186 T C 1.626 176.366 174.700 0.067 0.000 1.059 186 T CA 1.246 63.384 62.100 0.062 0.000 1.137 186 T CB -0.455 68.434 68.868 0.035 0.000 0.879 186 T HN 0.364 nan 8.240 nan 0.000 0.467 187 N N 0.704 119.451 118.700 0.079 0.000 2.142 187 N HA -0.048 4.693 4.740 0.001 0.000 0.186 187 N C 1.539 177.103 175.510 0.090 0.000 1.023 187 N CA 1.317 54.407 53.050 0.066 0.000 0.852 187 N CB -0.678 37.851 38.487 0.069 0.000 0.998 187 N HN 0.544 nan 8.380 nan 0.000 0.424 188 Y N 1.993 122.327 120.300 0.056 0.000 2.070 188 Y HA -0.192 4.358 4.550 0.001 0.000 0.280 188 Y C 2.391 178.380 175.900 0.149 0.000 1.148 188 Y CA 1.405 59.577 58.100 0.121 0.000 1.125 188 Y CB -0.647 37.847 38.460 0.057 0.000 0.975 188 Y HN -0.201 nan 8.280 nan 0.000 0.492 189 V N 1.035 120.999 119.914 0.084 0.000 2.392 189 V HA -0.315 3.806 4.120 0.001 0.000 0.249 189 V C 2.338 178.384 176.094 -0.080 0.000 1.059 189 V CA 2.404 64.698 62.300 -0.010 0.000 1.051 189 V CB -0.482 31.388 31.823 0.078 0.000 0.658 189 V HN 0.420 nan 8.190 nan 0.000 0.455 190 R N -0.428 120.037 120.500 -0.058 0.000 2.235 190 R HA 0.048 4.388 4.340 0.001 0.000 0.213 190 R C 2.040 178.248 176.300 -0.154 0.000 1.059 190 R CA 1.067 57.120 56.100 -0.078 0.000 0.997 190 R CB -0.258 30.017 30.300 -0.042 0.000 0.884 190 R HN 0.524 nan 8.270 nan 0.000 0.462 191 A N -0.041 122.638 122.820 -0.234 0.000 2.169 191 A HA 0.044 4.365 4.320 0.001 0.000 0.210 191 A C -0.082 176.997 177.584 -0.842 0.000 1.168 191 A CA 0.453 52.219 52.037 -0.450 0.000 0.813 191 A CB 0.148 18.904 19.000 -0.407 0.000 0.861 191 A HN 0.282 nan 8.150 nan 0.000 0.481 192 H N -1.559 117.306 119.070 -0.341 0.000 2.538 192 H HA 0.283 4.840 4.556 0.001 0.000 0.239 192 H C -2.418 172.763 175.328 -0.246 0.000 1.401 192 H CA -1.306 54.538 56.048 -0.340 0.000 1.499 192 H CB 0.755 30.169 29.762 -0.580 0.000 1.624 192 H HN 0.111 nan 8.280 nan 0.000 0.524 193 P HA -0.189 nan 4.420 nan 0.000 0.218 193 P C 1.301 178.577 177.300 -0.040 0.000 1.146 193 P CA 1.450 64.513 63.100 -0.062 0.000 0.813 193 P CB 0.383 32.048 31.700 -0.058 0.000 0.778 194 A N -2.539 120.263 122.820 -0.030 0.000 2.251 194 A HA 0.117 4.438 4.320 0.001 0.000 0.209 194 A C 0.930 178.491 177.584 -0.038 0.000 1.187 194 A CA 0.697 52.720 52.037 -0.022 0.000 0.823 194 A CB -0.602 18.394 19.000 -0.007 0.000 0.846 194 A HN 0.038 nan 8.150 nan 0.000 0.486 195 M N 0.202 119.784 119.600 -0.031 0.000 2.598 195 M HA 0.479 4.960 4.480 0.001 0.000 0.317 195 M C -0.471 175.826 176.300 -0.005 0.000 1.201 195 M CA -0.478 54.822 55.300 -0.001 0.000 0.971 195 M CB 1.428 34.078 32.600 0.083 0.000 1.657 195 M HN -0.068 nan 8.290 nan 0.000 0.470 196 K N 0.844 121.224 120.400 -0.033 0.000 2.281 196 K HA 0.882 5.203 4.320 0.001 0.000 0.242 196 K C -1.054 175.555 176.600 0.014 0.000 0.971 196 K CA -0.697 55.539 56.287 -0.085 0.000 0.834 196 K CB 2.053 34.349 32.500 -0.339 0.000 1.181 196 K HN 0.768 nan 8.250 nan 0.000 0.435 197 A N 1.456 124.275 122.820 -0.001 0.000 2.355 197 A HA 0.618 4.938 4.320 0.001 0.000 0.317 197 A C -1.397 176.149 177.584 -0.064 0.000 1.094 197 A CA -0.696 51.302 52.037 -0.065 0.000 0.764 197 A CB 0.962 19.948 19.000 -0.022 0.000 1.230 197 A HN 0.498 nan 8.150 nan 0.000 0.448 198 L N 3.233 124.402 121.223 -0.090 0.000 2.280 198 L HA 0.647 4.987 4.340 0.001 0.000 0.287 198 L C -0.998 175.833 176.870 -0.064 0.000 1.023 198 L CA -0.213 54.590 54.840 -0.062 0.000 0.819 198 L CB 1.429 43.453 42.059 -0.058 0.000 1.212 198 L HN 0.387 nan 8.230 nan 0.000 0.420 199 V N 6.196 126.081 119.914 -0.049 0.000 2.384 199 V HA 0.541 4.661 4.120 0.001 0.000 0.287 199 V C -0.455 175.616 176.094 -0.039 0.000 1.020 199 V CA -0.580 61.693 62.300 -0.044 0.000 0.850 199 V CB 1.735 33.533 31.823 -0.041 0.000 0.987 199 V HN 0.516 nan 8.190 nan 0.000 0.436 200 V N 4.155 124.050 119.914 -0.032 0.000 2.444 200 V HA 0.400 4.520 4.120 0.001 0.000 0.294 200 V C -0.279 175.806 176.094 -0.014 0.000 1.022 200 V CA -0.483 61.801 62.300 -0.026 0.000 0.850 200 V CB 1.771 33.579 31.823 -0.026 0.000 0.992 200 V HN 0.929 nan 8.190 nan 0.000 0.426 201 C N 6.633 125.926 119.300 -0.012 0.000 2.281 201 C HA 0.709 5.169 4.460 0.001 0.000 0.325 201 C C 0.014 175.008 174.990 0.007 0.000 1.282 201 C CA -0.602 58.415 59.018 -0.001 0.000 1.640 201 C CB -0.218 27.518 27.740 -0.006 0.000 2.288 201 C HN 0.738 nan 8.230 nan 0.000 0.507 202 I N 2.832 123.418 120.570 0.028 0.000 2.478 202 I HA 0.449 4.619 4.170 0.001 0.000 0.287 202 I C -0.673 175.497 176.117 0.089 0.000 1.042 202 I CA -0.284 61.034 61.300 0.031 0.000 1.067 202 I CB 1.643 39.652 38.000 0.016 0.000 1.233 202 I HN 0.422 nan 8.210 nan 0.000 0.431 203 E N 5.588 125.813 120.200 0.043 0.000 2.244 203 E HA 0.552 4.902 4.350 0.001 0.000 0.260 203 E C -1.462 175.169 176.600 0.051 0.000 0.884 203 E CA -0.454 55.980 56.400 0.058 0.000 0.777 203 E CB 1.741 31.418 29.700 -0.039 0.000 1.197 203 E HN 0.383 nan 8.360 nan 0.000 0.416 204 L N 4.520 125.840 121.223 0.163 0.000 2.502 204 L HA 0.271 4.612 4.340 0.001 0.000 0.247 204 L C 0.335 177.266 176.870 0.101 0.000 1.180 204 L CA -0.154 54.745 54.840 0.097 0.000 0.956 204 L CB 0.315 42.413 42.059 0.065 0.000 1.282 204 L HN 0.760 nan 8.230 nan 0.000 0.470 205 C N -0.751 118.572 119.300 0.039 0.000 2.440 205 C HA -0.145 4.316 4.460 0.001 0.000 0.278 205 C C 2.745 177.731 174.990 -0.007 0.000 1.295 205 C CA 1.064 60.103 59.018 0.035 0.000 1.738 205 C CB -0.676 27.111 27.740 0.078 0.000 1.987 205 C HN 0.897 nan 8.230 nan 0.000 0.492 206 S N 1.214 116.900 115.700 -0.022 0.000 2.387 206 S HA -0.179 4.291 4.470 0.001 0.000 0.230 206 S C 1.654 176.220 174.600 -0.056 0.000 1.035 206 S CA 1.900 60.070 58.200 -0.050 0.000 1.014 206 S CB -0.905 62.254 63.200 -0.070 0.000 0.836 206 S HN 0.419 nan 8.310 nan 0.000 0.466 207 V N 2.616 122.510 119.914 -0.033 0.000 2.720 207 V HA -0.117 4.003 4.120 0.001 0.000 0.256 207 V C 1.250 177.374 176.094 0.050 0.000 1.082 207 V CA 1.997 64.302 62.300 0.007 0.000 1.101 207 V CB -1.082 30.801 31.823 0.100 0.000 0.693 207 V HN 0.605 nan 8.190 nan 0.000 0.479 208 N N -0.099 118.610 118.700 0.016 0.000 2.214 208 N HA 0.353 5.093 4.740 0.001 0.000 0.214 208 N C 0.284 175.779 175.510 -0.026 0.000 1.132 208 N CA 0.365 53.418 53.050 0.005 0.000 0.856 208 N CB 0.373 38.855 38.487 -0.009 0.000 1.020 208 N HN 0.391 nan 8.380 nan 0.000 0.509 209 A N 0.062 122.870 122.820 -0.019 0.000 2.511 209 A HA 0.246 4.567 4.320 0.001 0.000 0.242 209 A C 0.921 178.610 177.584 0.175 0.000 1.069 209 A CA 0.139 52.187 52.037 0.018 0.000 0.763 209 A CB 0.371 19.392 19.000 0.035 0.000 1.001 209 A HN 0.128 nan 8.150 nan 0.000 0.498 210 V N 1.611 121.671 119.914 0.244 0.000 3.294 210 V HA 0.143 4.264 4.120 0.001 0.000 0.255 210 V C -0.300 175.882 176.094 0.148 0.000 1.528 210 V CA 0.196 62.589 62.300 0.155 0.000 1.086 210 V CB -0.813 31.048 31.823 0.063 0.000 0.906 210 V HN 0.982 nan 8.190 nan 0.000 0.433 211 F N 0.878 120.591 119.950 -0.395 0.000 2.460 211 F HA -0.105 4.422 4.527 0.001 0.000 0.328 211 F C 0.611 176.256 175.800 -0.258 0.000 1.081 211 F CA 0.327 58.034 58.000 -0.488 0.000 1.136 211 F CB -1.428 37.449 39.000 -0.206 0.000 1.527 211 F HN 0.254 nan 8.300 nan 0.000 0.806 212 A N 0.735 123.457 122.820 -0.164 0.000 2.242 212 A HA 0.639 4.960 4.320 0.001 0.000 0.304 212 A C 0.998 178.563 177.584 -0.031 0.000 1.100 212 A CA -0.232 51.776 52.037 -0.048 0.000 0.860 212 A CB 0.500 19.479 19.000 -0.034 0.000 1.168 212 A HN 0.377 nan 8.150 nan 0.000 0.503 213 D N 0.026 120.422 120.400 -0.006 0.000 2.323 213 D HA 0.005 4.645 4.640 0.001 0.000 0.209 213 D C 0.239 176.539 176.300 -0.000 0.000 0.973 213 D CA 0.829 54.830 54.000 0.001 0.000 0.874 213 D CB -0.008 40.796 40.800 0.007 0.000 0.930 213 D HN 0.703 nan 8.370 nan 0.000 0.521 214 D N 0.446 120.843 120.400 -0.005 0.000 2.339 214 D HA -0.021 4.620 4.640 0.001 0.000 0.245 214 D C 1.299 177.595 176.300 -0.006 0.000 1.115 214 D CA -0.470 53.528 54.000 -0.003 0.000 0.917 214 D CB 1.636 42.435 40.800 -0.002 0.000 1.192 214 D HN -0.161 nan 8.370 nan 0.000 0.428 215 I N 1.746 122.314 120.570 -0.003 0.000 2.087 215 I HA -0.342 3.828 4.170 0.001 0.000 0.240 215 I C 2.390 178.498 176.117 -0.016 0.000 1.054 215 I CA 1.419 62.717 61.300 -0.003 0.000 1.311 215 I CB -1.234 36.763 38.000 -0.005 0.000 1.024 215 I HN 0.601 nan 8.210 nan 0.000 0.402 216 N N 0.493 119.179 118.700 -0.023 0.000 2.104 216 N HA -0.266 4.475 4.740 0.001 0.000 0.190 216 N C 1.692 177.168 175.510 -0.057 0.000 1.024 216 N CA 2.133 55.158 53.050 -0.042 0.000 0.853 216 N CB -0.217 38.249 38.487 -0.034 0.000 1.008 216 N HN 0.411 nan 8.380 nan 0.000 0.424 217 D N -0.336 120.047 120.400 -0.029 0.000 2.144 217 D HA -0.068 4.572 4.640 0.001 0.000 0.199 217 D C 2.062 178.375 176.300 0.021 0.000 0.984 217 D CA 0.712 54.715 54.000 0.005 0.000 0.834 217 D CB 0.204 40.991 40.800 -0.021 0.000 0.955 217 D HN 0.063 nan 8.370 nan 0.000 0.465 218 V N -0.336 119.569 119.914 -0.015 0.000 2.358 218 V HA -0.195 3.926 4.120 0.001 0.000 0.246 218 V C 2.466 178.562 176.094 0.004 0.000 1.047 218 V CA 1.081 63.396 62.300 0.024 0.000 1.035 218 V CB -0.350 31.508 31.823 0.059 0.000 0.658 218 V HN 0.133 nan 8.190 nan 0.000 0.452 219 V N -0.354 119.528 119.914 -0.053 0.000 2.295 219 V HA -0.236 3.885 4.120 0.001 0.000 0.246 219 V C 2.292 178.249 176.094 -0.229 0.000 1.049 219 V CA 1.946 64.176 62.300 -0.115 0.000 1.024 219 V CB -0.547 31.223 31.823 -0.089 0.000 0.648 219 V HN 0.396 nan 8.190 nan 0.000 0.447 220 I N -0.484 119.894 120.570 -0.320 0.000 2.226 220 I HA -0.221 3.949 4.170 0.001 0.000 0.245 220 I C 2.365 178.070 176.117 -0.687 0.000 1.100 220 I CA 1.647 62.495 61.300 -0.753 0.000 1.374 220 I CB -0.707 36.844 38.000 -0.749 0.000 1.057 220 I HN 0.377 nan 8.210 nan 0.000 0.413 221 H N -0.989 117.830 119.070 -0.419 0.000 2.546 221 H HA 0.044 4.600 4.556 0.001 0.000 0.277 221 H C 2.164 177.367 175.328 -0.208 0.000 1.004 221 H CA 1.251 57.105 56.048 -0.322 0.000 1.231 221 H CB 0.219 29.771 29.762 -0.350 0.000 1.382 221 H HN 0.399 nan 8.280 nan 0.000 0.580 222 S N -0.476 115.100 115.700 -0.207 0.000 2.511 222 S HA 0.101 4.572 4.470 0.001 0.000 0.214 222 S C 1.819 176.239 174.600 -0.299 0.000 0.997 222 S CA -0.210 57.695 58.200 -0.491 0.000 0.908 222 S CB 0.053 62.614 63.200 -1.064 0.000 0.803 222 S HN 0.208 nan 8.310 nan 0.000 0.504 223 L N -0.519 120.606 121.223 -0.163 0.000 2.467 223 L HA 0.442 4.783 4.340 0.001 0.000 0.213 223 L C -0.161 176.865 176.870 0.260 0.000 1.053 223 L CA 0.004 54.863 54.840 0.032 0.000 0.847 223 L CB -0.044 42.072 42.059 0.095 0.000 1.075 223 L HN 0.217 nan 8.230 nan 0.000 0.479 224 F N 1.228 121.111 119.950 -0.112 0.000 2.456 224 F HA 0.470 4.998 4.527 0.001 0.000 0.358 224 F C 0.974 176.723 175.800 -0.086 0.000 1.095 224 F CA -1.032 56.906 58.000 -0.103 0.000 1.216 224 F CB 0.242 39.158 39.000 -0.140 0.000 1.125 224 F HN -0.178 nan 8.300 nan 0.000 0.549 225 G N 1.646 110.489 108.800 0.071 0.000 2.816 225 G HA2 0.527 4.487 3.960 0.001 0.000 0.288 225 G HA3 0.527 4.487 3.960 0.001 0.000 0.288 225 G C -1.697 173.188 174.900 -0.025 0.000 1.334 225 G CA -0.742 44.373 45.100 0.024 0.000 0.978 225 G HN 0.364 nan 8.290 nan 0.000 0.493 226 D N -0.905 119.483 120.400 -0.020 0.000 2.192 226 D HA 0.690 5.330 4.640 0.001 0.000 0.246 226 D C 0.342 176.598 176.300 -0.073 0.000 1.042 226 D CA 0.290 54.267 54.000 -0.039 0.000 0.847 226 D CB 1.757 42.543 40.800 -0.023 0.000 1.186 226 D HN 0.752 nan 8.370 nan 0.000 0.461 227 G N -0.572 108.174 108.800 -0.090 0.000 2.547 227 G HA2 0.490 4.450 3.960 0.001 0.000 0.291 227 G HA3 0.490 4.450 3.960 0.001 0.000 0.291 227 G C -1.713 173.172 174.900 -0.025 0.000 1.471 227 G CA -0.554 44.486 45.100 -0.099 0.000 0.798 227 G HN 0.611 nan 8.290 nan 0.000 0.504 228 C N 0.171 119.510 119.300 0.064 0.000 2.686 228 C HA 0.975 5.436 4.460 0.001 0.000 0.318 228 C C -0.084 174.961 174.990 0.091 0.000 1.160 228 C CA 0.604 59.651 59.018 0.049 0.000 1.396 228 C CB 0.446 28.181 27.740 -0.009 0.000 1.924 228 C HN 1.862 nan 8.230 nan 0.000 0.471 229 A N 3.290 126.136 122.820 0.044 0.000 2.539 229 A HA 1.015 5.336 4.320 0.001 0.000 0.296 229 A C -0.895 176.665 177.584 -0.041 0.000 1.073 229 A CA 0.113 52.140 52.037 -0.017 0.000 0.700 229 A CB 1.583 20.597 19.000 0.023 0.000 1.296 229 A HN 2.253 nan 8.150 nan 0.000 0.405 230 A N 0.887 123.666 122.820 -0.070 0.000 2.515 230 A HA 0.805 5.125 4.320 0.001 0.000 0.298 230 A C -1.385 176.160 177.584 -0.064 0.000 1.059 230 A CA -0.395 51.607 52.037 -0.058 0.000 0.698 230 A CB 1.055 20.023 19.000 -0.053 0.000 1.289 230 A HN 0.964 nan 8.150 nan 0.000 0.404 231 L N 1.275 122.467 121.223 -0.052 0.000 2.401 231 L HA 0.674 5.014 4.340 0.001 0.000 0.266 231 L C -1.013 175.840 176.870 -0.028 0.000 0.991 231 L CA -1.142 53.669 54.840 -0.048 0.000 0.818 231 L CB 2.229 44.256 42.059 -0.054 0.000 1.321 231 L HN 0.413 nan 8.230 nan 0.000 0.413 232 V N 3.506 123.414 119.914 -0.010 0.000 2.357 232 V HA 0.438 4.558 4.120 0.001 0.000 0.284 232 V C -0.283 175.822 176.094 0.018 0.000 1.018 232 V CA -0.331 61.977 62.300 0.014 0.000 0.841 232 V CB 1.637 33.498 31.823 0.064 0.000 0.991 232 V HN 0.410 nan 8.190 nan 0.000 0.437 233 I N 4.131 124.703 120.570 0.005 0.000 2.412 233 I HA 0.856 5.027 4.170 0.001 0.000 0.296 233 I C 0.718 176.839 176.117 0.008 0.000 0.987 233 I CA 0.130 61.437 61.300 0.013 0.000 1.180 233 I CB 1.784 39.794 38.000 0.018 0.000 1.340 233 I HN 0.682 nan 8.210 nan 0.000 0.455 234 G N 2.892 111.701 108.800 0.014 0.000 2.694 234 G HA2 0.826 4.787 3.960 0.001 0.000 0.290 234 G HA3 0.826 4.787 3.960 0.001 0.000 0.290 234 G C -1.805 173.102 174.900 0.011 0.000 1.386 234 G CA -0.800 44.297 45.100 -0.005 0.000 0.872 234 G HN 0.779 nan 8.290 nan 0.000 0.475 235 A N -0.290 122.530 122.820 -0.000 0.000 2.312 235 A HA 0.884 5.204 4.320 0.001 0.000 0.328 235 A C 0.049 177.638 177.584 0.008 0.000 1.158 235 A CA -0.335 51.702 52.037 -0.000 0.000 0.821 235 A CB 1.632 20.621 19.000 -0.019 0.000 1.170 235 A HN 1.575 nan 8.150 nan 0.000 0.490 236 S N 0.503 116.209 115.700 0.009 0.000 2.541 236 S HA 0.427 4.898 4.470 0.001 0.000 0.271 236 S C -0.783 173.820 174.600 0.006 0.000 1.133 236 S CA -0.643 57.565 58.200 0.014 0.000 0.876 236 S CB 1.123 64.338 63.200 0.023 0.000 1.105 236 S HN 0.770 nan 8.310 nan 0.000 0.470 237 Q N 1.646 121.449 119.800 0.005 0.000 2.454 237 Q HA 0.193 4.533 4.340 0.001 0.000 0.247 237 Q C 1.284 177.285 176.000 0.002 0.000 1.028 237 Q CA -0.349 55.454 55.803 0.000 0.000 0.910 237 Q CB 0.527 29.265 28.738 -0.000 0.000 1.276 237 Q HN 0.594 nan 8.270 nan 0.000 0.489 238 V N 1.144 121.057 119.914 -0.002 0.000 2.427 238 V HA -0.253 3.868 4.120 0.001 0.000 0.248 238 V C 1.898 177.992 176.094 -0.000 0.000 1.051 238 V CA 1.679 63.979 62.300 -0.001 0.000 1.048 238 V CB -0.515 31.305 31.823 -0.005 0.000 0.666 238 V HN 0.686 nan 8.190 nan 0.000 0.456 239 Q N 0.481 120.281 119.800 -0.001 0.000 2.124 239 Q HA -0.121 4.219 4.340 0.001 0.000 0.202 239 Q C 1.315 177.316 176.000 0.002 0.000 0.977 239 Q CA 0.915 56.718 55.803 -0.001 0.000 0.850 239 Q CB -0.229 28.508 28.738 -0.002 0.000 0.901 239 Q HN 0.731 nan 8.270 nan 0.000 0.429 240 E N 1.364 121.567 120.200 0.004 0.000 2.529 240 E HA -0.094 4.256 4.350 0.001 0.000 0.259 240 E C -0.842 175.762 176.600 0.007 0.000 0.966 240 E CA 0.232 56.637 56.400 0.007 0.000 0.937 240 E CB 0.403 30.111 29.700 0.012 0.000 0.923 240 E HN 0.041 nan 8.360 nan 0.000 0.468 241 K N 5.564 125.967 120.400 0.006 0.000 2.263 241 K HA 0.217 4.537 4.320 0.001 0.000 0.282 241 K C -0.294 176.311 176.600 0.008 0.000 1.089 241 K CA -0.287 56.003 56.287 0.006 0.000 0.907 241 K CB 0.502 33.004 32.500 0.003 0.000 1.148 241 K HN 0.435 nan 8.250 nan 0.000 0.470 242 L N 3.020 124.249 121.223 0.010 0.000 2.436 242 L HA 0.129 4.469 4.340 0.001 0.000 0.265 242 L C 1.075 177.950 176.870 0.008 0.000 1.168 242 L CA -0.442 54.405 54.840 0.012 0.000 0.815 242 L CB 0.225 42.294 42.059 0.017 0.000 1.109 242 L HN 0.622 nan 8.230 nan 0.000 0.462 243 E N 1.659 121.862 120.200 0.005 0.000 2.345 243 E HA 0.349 4.699 4.350 0.001 0.000 0.259 243 E C -2.542 174.060 176.600 0.003 0.000 1.117 243 E CA -2.161 54.240 56.400 0.001 0.000 0.913 243 E CB -0.027 29.670 29.700 -0.005 0.000 1.057 243 E HN 0.278 nan 8.360 nan 0.000 0.432 244 P HA 0.021 nan 4.420 nan 0.000 0.266 244 P C 0.571 177.872 177.300 0.001 0.000 1.195 244 P CA 1.425 64.527 63.100 0.004 0.000 0.768 244 P CB 0.614 32.315 31.700 0.002 0.000 0.838 245 G N 1.271 110.074 108.800 0.005 0.000 2.284 245 G HA2 -0.227 3.734 3.960 0.001 0.000 0.230 245 G HA3 -0.227 3.734 3.960 0.001 0.000 0.230 245 G C 0.135 175.034 174.900 -0.002 0.000 1.021 245 G CA -0.197 44.902 45.100 -0.001 0.000 0.619 245 G HN 0.512 nan 8.290 nan 0.000 0.510 246 K N 0.782 121.184 120.400 0.004 0.000 2.401 246 K HA 0.556 4.876 4.320 0.001 0.000 0.278 246 K C 0.264 176.874 176.600 0.017 0.000 1.018 246 K CA 0.097 56.389 56.287 0.008 0.000 0.981 246 K CB 1.438 33.946 32.500 0.015 0.000 0.933 246 K HN 0.245 nan 8.250 nan 0.000 0.477 247 V N 3.710 123.628 119.914 0.007 0.000 2.417 247 V HA 0.298 4.418 4.120 0.001 0.000 0.291 247 V C -0.521 175.595 176.094 0.037 0.000 1.024 247 V CA -1.043 61.271 62.300 0.022 0.000 0.861 247 V CB 1.821 33.612 31.823 -0.055 0.000 0.985 247 V HN 0.387 nan 8.190 nan 0.000 0.436 248 V N 5.722 125.682 119.914 0.078 0.000 2.364 248 V HA 0.245 4.365 4.120 0.001 0.000 0.272 248 V C 0.151 176.308 176.094 0.104 0.000 1.036 248 V CA -0.474 61.868 62.300 0.070 0.000 0.880 248 V CB 1.790 33.647 31.823 0.057 0.000 0.991 248 V HN 0.653 nan 8.190 nan 0.000 0.460 249 V N 7.703 127.661 119.914 0.073 0.000 2.352 249 V HA 0.183 4.303 4.120 0.001 0.000 0.253 249 V C 1.452 177.593 176.094 0.079 0.000 1.083 249 V CA 0.090 62.443 62.300 0.088 0.000 0.993 249 V CB -0.133 31.716 31.823 0.044 0.000 1.111 249 V HN 0.809 nan 8.190 nan 0.000 0.490 250 R N 2.029 122.586 120.500 0.095 0.000 2.073 250 R HA 0.066 4.407 4.340 0.001 0.000 0.229 250 R C 0.900 177.237 176.300 0.063 0.000 1.120 250 R CA 0.984 57.120 56.100 0.061 0.000 0.967 250 R CB 0.146 30.472 30.300 0.042 0.000 0.862 250 R HN 0.602 nan 8.270 nan 0.000 0.436 251 S N -0.386 115.370 115.700 0.093 0.000 2.537 251 S HA 0.363 4.833 4.470 0.001 0.000 0.270 251 S C -1.249 173.443 174.600 0.154 0.000 1.142 251 S CA -0.794 57.472 58.200 0.110 0.000 0.870 251 S CB 1.762 65.026 63.200 0.108 0.000 1.112 251 S HN 0.217 nan 8.310 nan 0.000 0.466 252 S N 2.413 118.198 115.700 0.143 0.000 2.600 252 S HA 0.967 5.438 4.470 0.001 0.000 0.300 252 S C -0.918 173.805 174.600 0.205 0.000 1.087 252 S CA -0.711 57.550 58.200 0.102 0.000 0.965 252 S CB 1.337 64.549 63.200 0.019 0.000 1.089 252 S HN 1.341 nan 8.310 nan 0.000 0.496 253 F N -1.415 118.556 119.950 0.036 0.000 2.654 253 F HA 0.870 5.398 4.527 0.001 0.000 0.308 253 F C -1.051 174.760 175.800 0.019 0.000 1.108 253 F CA -0.774 57.243 58.000 0.027 0.000 0.957 253 F CB 1.191 40.208 39.000 0.029 0.000 1.309 253 F HN 0.600 nan 8.300 nan 0.000 0.446 254 S N 1.403 117.231 115.700 0.214 0.000 2.569 254 S HA 0.717 5.187 4.470 0.001 0.000 0.280 254 S C -1.703 173.001 174.600 0.174 0.000 1.111 254 S CA -0.740 57.527 58.200 0.111 0.000 0.887 254 S CB 2.097 65.322 63.200 0.042 0.000 1.095 254 S HN 0.656 nan 8.310 nan 0.000 0.476 255 Q N 1.943 121.821 119.800 0.131 0.000 2.444 255 Q HA 0.266 4.607 4.340 0.001 0.000 0.239 255 Q C -1.714 174.326 176.000 0.067 0.000 0.853 255 Q CA -0.117 55.747 55.803 0.102 0.000 0.856 255 Q CB 1.789 30.598 28.738 0.119 0.000 1.413 255 Q HN 0.748 nan 8.270 nan 0.000 0.437 256 L N 4.586 125.833 121.223 0.039 0.000 2.361 256 L HA 0.346 4.687 4.340 0.001 0.000 0.278 256 L C -0.429 176.441 176.870 -0.001 0.000 1.113 256 L CA -0.200 54.651 54.840 0.018 0.000 0.849 256 L CB 0.432 42.495 42.059 0.007 0.000 1.155 256 L HN 0.533 nan 8.230 nan 0.000 0.452 257 L N 5.056 126.269 121.223 -0.017 0.000 2.281 257 L HA 0.203 4.543 4.340 0.001 0.000 0.285 257 L C 0.295 177.102 176.870 -0.104 0.000 1.074 257 L CA -0.682 54.124 54.840 -0.057 0.000 0.817 257 L CB 0.684 42.699 42.059 -0.073 0.000 1.168 257 L HN 0.540 nan 8.230 nan 0.000 0.434 258 D N 4.447 124.795 120.400 -0.088 0.000 2.525 258 D HA -0.105 4.535 4.640 0.001 0.000 0.235 258 D C 0.298 176.512 176.300 -0.145 0.000 1.137 258 D CA 0.597 54.543 54.000 -0.090 0.000 0.868 258 D CB 0.339 41.102 40.800 -0.063 0.000 1.180 258 D HN 0.522 nan 8.370 nan 0.000 0.465 259 N N 1.788 120.414 118.700 -0.124 0.000 2.650 259 N HA -0.188 4.553 4.740 0.001 0.000 0.272 259 N C 0.368 175.697 175.510 -0.302 0.000 1.058 259 N CA 1.031 53.996 53.050 -0.141 0.000 0.765 259 N CB -1.084 37.353 38.487 -0.084 0.000 0.902 259 N HN 0.608 nan 8.380 nan 0.000 0.551 260 T N -4.710 109.639 114.554 -0.342 0.000 3.403 260 T HA 0.155 4.506 4.350 0.001 0.000 0.308 260 T C 0.960 175.532 174.700 -0.213 0.000 0.952 260 T CA -0.456 61.273 62.100 -0.618 0.000 0.970 260 T CB 0.440 68.823 68.868 -0.809 0.000 1.189 260 T HN 0.147 nan 8.240 nan 0.000 0.528 261 E N 2.283 122.424 120.200 -0.099 0.000 2.171 261 E HA -0.192 4.159 4.350 0.001 0.000 0.197 261 E C 1.696 178.311 176.600 0.025 0.000 0.997 261 E CA 1.681 58.066 56.400 -0.024 0.000 0.810 261 E CB -0.032 29.659 29.700 -0.016 0.000 0.738 261 E HN 0.792 nan 8.360 nan 0.000 0.467 262 D N -0.438 120.002 120.400 0.068 0.000 2.317 262 D HA -0.082 4.559 4.640 0.001 0.000 0.211 262 D C 1.867 178.251 176.300 0.139 0.000 0.966 262 D CA 0.882 54.942 54.000 0.100 0.000 0.876 262 D CB -0.368 40.503 40.800 0.120 0.000 0.927 262 D HN 0.124 nan 8.370 nan 0.000 0.519 263 G N 1.285 110.222 108.800 0.228 0.000 2.553 263 G HA2 -0.141 3.820 3.960 0.001 0.000 0.218 263 G HA3 -0.141 3.820 3.960 0.001 0.000 0.218 263 G C 1.018 175.985 174.900 0.111 0.000 1.195 263 G CA 0.616 45.867 45.100 0.252 0.000 0.779 263 G HN 0.377 nan 8.290 nan 0.000 0.577 264 I N 0.398 121.013 120.570 0.075 0.000 2.439 264 I HA 0.368 4.539 4.170 0.001 0.000 0.283 264 I C -1.116 174.998 176.117 -0.006 0.000 1.023 264 I CA -0.612 60.709 61.300 0.036 0.000 1.100 264 I CB 2.623 40.646 38.000 0.039 0.000 1.238 264 I HN -0.200 nan 8.210 nan 0.000 0.445 265 V N 7.256 127.159 119.914 -0.019 0.000 2.495 265 V HA 0.523 4.644 4.120 0.001 0.000 0.298 265 V C -0.129 175.899 176.094 -0.109 0.000 1.031 265 V CA -0.519 61.750 62.300 -0.052 0.000 0.871 265 V CB 2.230 34.045 31.823 -0.014 0.000 0.988 265 V HN 0.471 nan 8.190 nan 0.000 0.432 266 L N 4.060 125.145 121.223 -0.231 0.000 2.365 266 L HA 0.960 5.301 4.340 0.001 0.000 0.273 266 L C 0.391 177.146 176.870 -0.192 0.000 1.000 266 L CA -0.302 54.286 54.840 -0.420 0.000 0.819 266 L CB 2.075 43.438 42.059 -1.161 0.000 1.284 266 L HN 0.792 nan 8.230 nan 0.000 0.418 267 G N 1.329 110.185 108.800 0.094 0.000 2.708 267 G HA2 0.639 4.600 3.960 0.001 0.000 0.289 267 G HA3 0.639 4.600 3.960 0.001 0.000 0.289 267 G C -1.758 173.367 174.900 0.375 0.000 1.416 267 G CA -0.449 44.821 45.100 0.284 0.000 0.829 267 G HN 0.228 nan 8.290 nan 0.000 0.480 268 V N 1.938 122.006 119.914 0.256 0.000 2.350 268 V HA 0.413 4.534 4.120 0.001 0.000 0.285 268 V C -0.669 175.488 176.094 0.106 0.000 1.014 268 V CA -1.187 61.219 62.300 0.177 0.000 0.831 268 V CB 0.959 32.831 31.823 0.083 0.000 1.000 268 V HN 0.614 nan 8.190 nan 0.000 0.433 269 N N 2.511 121.259 118.700 0.079 0.000 2.476 269 N HA 0.281 5.022 4.740 0.001 0.000 0.276 269 N C 1.301 176.821 175.510 0.016 0.000 1.204 269 N CA -0.593 52.488 53.050 0.053 0.000 0.974 269 N CB 0.811 39.291 38.487 -0.013 0.000 1.204 269 N HN 0.834 nan 8.380 nan 0.000 0.543 270 H N 0.128 119.214 119.070 0.027 0.000 2.489 270 H HA -0.046 4.510 4.556 0.001 0.000 0.293 270 H C -0.090 175.244 175.328 0.011 0.000 1.066 270 H CA 1.127 57.185 56.048 0.017 0.000 1.305 270 H CB -0.099 29.668 29.762 0.009 0.000 1.386 270 H HN 0.500 nan 8.280 nan 0.000 0.551 271 N N 0.484 118.806 118.700 -0.631 0.000 2.338 271 N HA 0.303 5.043 4.740 0.001 0.000 0.251 271 N C 0.281 175.679 175.510 -0.187 0.000 1.199 271 N CA 0.262 53.073 53.050 -0.399 0.000 0.879 271 N CB 0.948 39.125 38.487 -0.518 0.000 1.159 271 N HN 0.602 nan 8.380 nan 0.000 0.514 272 G N -0.063 108.675 108.800 -0.103 0.000 2.334 272 G HA2 0.104 4.065 3.960 0.001 0.000 0.566 272 G HA3 0.104 4.065 3.960 0.001 0.000 0.566 272 G C -1.460 173.450 174.900 0.018 0.000 1.413 272 G CA -1.081 44.007 45.100 -0.021 0.000 0.993 272 G HN 0.150 nan 8.290 nan 0.000 0.642 273 I N 1.158 121.760 120.570 0.053 0.000 2.519 273 I HA 0.499 4.669 4.170 0.001 0.000 0.287 273 I C 0.890 177.059 176.117 0.085 0.000 1.047 273 I CA -0.128 61.244 61.300 0.121 0.000 1.381 273 I CB 1.463 39.541 38.000 0.131 0.000 1.417 273 I HN 0.662 nan 8.210 nan 0.000 0.540 274 T N 2.689 117.308 114.554 0.108 0.000 2.887 274 T HA 0.426 4.776 4.350 0.001 0.000 0.292 274 T C -1.117 173.612 174.700 0.048 0.000 1.087 274 T CA -0.666 61.466 62.100 0.053 0.000 1.009 274 T CB 1.927 70.815 68.868 0.035 0.000 1.203 274 T HN 0.645 nan 8.240 nan 0.000 0.518 275 C N 1.258 120.574 119.300 0.027 0.000 2.397 275 C HA 0.599 5.059 4.460 0.001 0.000 0.325 275 C C -0.770 174.220 174.990 0.001 0.000 1.201 275 C CA -0.381 58.661 59.018 0.041 0.000 1.377 275 C CB -0.067 27.799 27.740 0.211 0.000 2.038 275 C HN 0.997 nan 8.230 nan 0.000 0.457 276 E N 4.987 125.186 120.200 -0.000 0.000 2.121 276 E HA 0.390 4.741 4.350 0.001 0.000 0.255 276 E C -0.860 175.745 176.600 0.009 0.000 0.906 276 E CA -0.039 56.360 56.400 -0.002 0.000 0.745 276 E CB 0.876 30.577 29.700 0.002 0.000 1.155 276 E HN 0.650 nan 8.360 nan 0.000 0.424 277 L N 2.238 123.466 121.223 0.007 0.000 2.290 277 L HA 0.245 4.585 4.340 0.001 0.000 0.284 277 L C 0.591 177.459 176.870 -0.004 0.000 1.078 277 L CA -0.336 54.513 54.840 0.015 0.000 0.815 277 L CB 1.314 43.387 42.059 0.023 0.000 1.162 277 L HN 0.369 nan 8.230 nan 0.000 0.435 278 S N 1.399 117.099 115.700 -0.000 0.000 2.580 278 S HA 0.084 4.554 4.470 0.001 0.000 0.274 278 S C 1.017 175.570 174.600 -0.079 0.000 1.329 278 S CA -0.627 57.559 58.200 -0.022 0.000 1.036 278 S CB 0.965 64.174 63.200 0.016 0.000 0.919 278 S HN 0.675 nan 8.310 nan 0.000 0.515 279 E N 3.292 123.441 120.200 -0.085 0.000 2.153 279 E HA -0.140 4.211 4.350 0.001 0.000 0.194 279 E C 1.319 177.806 176.600 -0.190 0.000 0.988 279 E CA 1.714 58.051 56.400 -0.105 0.000 0.811 279 E CB -0.389 29.264 29.700 -0.079 0.000 0.746 279 E HN 0.761 nan 8.360 nan 0.000 0.466 280 N N 0.367 118.897 118.700 -0.283 0.000 2.512 280 N HA -0.024 4.717 4.740 0.001 0.000 0.183 280 N C 1.488 176.425 175.510 -0.955 0.000 1.073 280 N CA 0.007 52.694 53.050 -0.604 0.000 0.911 280 N CB 0.016 38.090 38.487 -0.690 0.000 0.964 280 N HN 0.093 nan 8.380 nan 0.000 0.447 281 L N 1.851 122.772 121.223 -0.503 0.000 1.989 281 L HA -0.094 4.247 4.340 0.001 0.000 0.211 281 L C -0.611 176.118 176.870 -0.234 0.000 1.071 281 L CA 1.708 56.375 54.840 -0.288 0.000 0.749 281 L CB -1.192 40.806 42.059 -0.103 0.000 0.890 281 L HN 0.149 nan 8.230 nan 0.000 0.431 282 P HA -0.147 nan 4.420 nan 0.000 0.218 282 P C 1.433 178.697 177.300 -0.060 0.000 1.148 282 P CA 1.968 65.003 63.100 -0.109 0.000 0.822 282 P CB -0.253 31.398 31.700 -0.083 0.000 0.784 283 G N -1.221 107.500 108.800 -0.131 0.000 2.403 283 G HA2 -0.224 3.737 3.960 0.001 0.000 0.216 283 G HA3 -0.224 3.737 3.960 0.001 0.000 0.216 283 G C 1.320 176.291 174.900 0.119 0.000 1.154 283 G CA 0.276 45.367 45.100 -0.015 0.000 0.784 283 G HN 0.135 nan 8.290 nan 0.000 0.538 284 Y N 0.764 121.066 120.300 0.004 0.000 2.242 284 Y HA 0.085 4.635 4.550 0.001 0.000 0.291 284 Y C 2.655 178.518 175.900 -0.062 0.000 1.137 284 Y CA -0.217 57.868 58.100 -0.026 0.000 1.181 284 Y CB -0.576 37.852 38.460 -0.054 0.000 0.989 284 Y HN 0.158 nan 8.280 nan 0.000 0.527 285 I N -1.432 119.150 120.570 0.021 0.000 2.202 285 I HA -0.299 3.871 4.170 0.001 0.000 0.242 285 I C 2.326 178.475 176.117 0.055 0.000 1.091 285 I CA 1.271 62.499 61.300 -0.120 0.000 1.368 285 I CB -0.551 37.253 38.000 -0.327 0.000 1.058 285 I HN 0.083 nan 8.210 nan 0.000 0.410 286 F N 2.336 122.276 119.950 -0.017 0.000 2.065 286 F HA -0.314 4.214 4.527 0.001 0.000 0.298 286 F C 2.708 178.519 175.800 0.018 0.000 1.112 286 F CA 2.044 60.048 58.000 0.007 0.000 1.212 286 F CB -0.546 38.452 39.000 -0.003 0.000 0.975 286 F HN 0.119 nan 8.300 nan 0.000 0.476 287 S N -0.870 114.707 115.700 -0.206 0.000 2.528 287 S HA 0.186 4.657 4.470 0.001 0.000 0.219 287 S C 2.065 176.561 174.600 -0.172 0.000 0.985 287 S CA 0.366 58.380 58.200 -0.311 0.000 0.914 287 S CB -0.549 62.628 63.200 -0.037 0.000 0.776 287 S HN 0.451 nan 8.310 nan 0.000 0.526 288 G N 1.117 109.875 108.800 -0.071 0.000 2.595 288 G HA2 0.136 4.097 3.960 0.001 0.000 0.213 288 G HA3 0.136 4.097 3.960 0.001 0.000 0.213 288 G C 1.231 176.111 174.900 -0.033 0.000 1.141 288 G CA 0.483 45.567 45.100 -0.025 0.000 0.806 288 G HN 0.384 nan 8.290 nan 0.000 0.530 289 V N 1.910 121.802 119.914 -0.038 0.000 2.216 289 V HA -0.131 3.990 4.120 0.001 0.000 0.243 289 V C 3.328 179.311 176.094 -0.185 0.000 1.044 289 V CA 2.224 64.453 62.300 -0.117 0.000 0.995 289 V CB -1.048 30.725 31.823 -0.083 0.000 0.633 289 V HN 0.416 nan 8.190 nan 0.000 0.446 290 A N 1.238 123.951 122.820 -0.177 0.000 1.884 290 A HA -0.205 4.116 4.320 0.001 0.000 0.219 290 A C 0.817 178.318 177.584 -0.137 0.000 1.197 290 A CA 2.609 54.551 52.037 -0.157 0.000 0.637 290 A CB -2.247 16.649 19.000 -0.173 0.000 0.827 290 A HN 0.599 nan 8.150 nan 0.000 0.450 291 P HA -0.140 nan 4.420 nan 0.000 0.216 291 P C 1.671 178.895 177.300 -0.127 0.000 1.153 291 P CA 1.933 64.960 63.100 -0.121 0.000 0.858 291 P CB -0.381 31.252 31.700 -0.111 0.000 0.789 292 V N 0.543 120.375 119.914 -0.137 0.000 2.237 292 V HA -0.213 3.908 4.120 0.001 0.000 0.245 292 V C 2.901 178.815 176.094 -0.299 0.000 1.046 292 V CA 2.058 64.249 62.300 -0.180 0.000 1.007 292 V CB -1.477 30.267 31.823 -0.130 0.000 0.638 292 V HN -0.076 nan 8.190 nan 0.000 0.445 293 V N 0.030 119.771 119.914 -0.290 0.000 2.324 293 V HA -0.313 3.808 4.120 0.001 0.000 0.250 293 V C 2.591 178.612 176.094 -0.121 0.000 1.060 293 V CA 2.716 64.866 62.300 -0.249 0.000 1.042 293 V CB -1.208 30.594 31.823 -0.035 0.000 0.650 293 V HN 0.637 nan 8.190 nan 0.000 0.450 294 T N -0.521 113.991 114.554 -0.069 0.000 2.746 294 T HA -0.200 4.151 4.350 0.001 0.000 0.267 294 T C 1.814 176.515 174.700 0.002 0.000 1.039 294 T CA 1.745 63.838 62.100 -0.012 0.000 1.142 294 T CB -0.229 68.620 68.868 -0.031 0.000 0.866 294 T HN 0.621 nan 8.240 nan 0.000 0.444 295 E N 0.752 120.917 120.200 -0.057 0.000 2.031 295 E HA -0.103 4.248 4.350 0.001 0.000 0.193 295 E C 2.281 178.905 176.600 0.040 0.000 0.994 295 E CA 0.884 57.274 56.400 -0.016 0.000 0.800 295 E CB -0.237 29.419 29.700 -0.072 0.000 0.752 295 E HN 0.280 nan 8.360 nan 0.000 0.447 296 M N 1.068 120.600 119.600 -0.113 0.000 2.080 296 M HA -0.191 4.290 4.480 0.001 0.000 0.260 296 M C 2.095 178.369 176.300 -0.043 0.000 1.068 296 M CA 1.613 56.822 55.300 -0.151 0.000 1.109 296 M CB -0.431 31.867 32.600 -0.503 0.000 1.342 296 M HN 0.145 nan 8.290 nan 0.000 0.405 297 L N -1.588 119.621 121.223 -0.024 0.000 2.093 297 L HA -0.224 4.117 4.340 0.001 0.000 0.208 297 L C 2.345 179.259 176.870 0.074 0.000 1.085 297 L CA 1.333 56.185 54.840 0.020 0.000 0.755 297 L CB -0.853 41.232 42.059 0.042 0.000 0.904 297 L HN 0.489 nan 8.230 nan 0.000 0.435 298 W N 1.635 122.904 121.300 -0.052 0.000 2.363 298 W HA -0.217 4.444 4.660 0.001 0.000 0.296 298 W C 2.012 178.510 176.519 -0.035 0.000 1.212 298 W CA 1.475 58.797 57.345 -0.038 0.000 1.260 298 W CB -0.068 29.369 29.460 -0.038 0.000 1.131 298 W HN 0.145 nan 8.180 nan 0.000 0.530 299 D N -0.401 120.039 120.400 0.067 0.000 2.350 299 D HA -0.130 4.510 4.640 0.001 0.000 0.216 299 D C 0.583 176.783 176.300 -0.167 0.000 0.968 299 D CA 1.152 55.092 54.000 -0.100 0.000 0.894 299 D CB -0.390 40.439 40.800 0.049 0.000 0.909 299 D HN 0.373 nan 8.370 nan 0.000 0.520 300 N N -0.906 117.716 118.700 -0.130 0.000 2.235 300 N HA 0.262 5.002 4.740 0.001 0.000 0.231 300 N C 0.555 175.982 175.510 -0.137 0.000 1.177 300 N CA 0.150 53.131 53.050 -0.115 0.000 0.874 300 N CB 1.378 39.828 38.487 -0.063 0.000 1.097 300 N HN -0.025 nan 8.380 nan 0.000 0.518 301 G N 0.978 109.650 108.800 -0.214 0.000 2.323 301 G HA2 -0.267 3.693 3.960 0.001 0.000 0.292 301 G HA3 -0.267 3.693 3.960 0.001 0.000 0.292 301 G C -0.389 174.455 174.900 -0.095 0.000 1.040 301 G CA 0.436 45.420 45.100 -0.193 0.000 0.942 301 G HN 0.264 nan 8.290 nan 0.000 0.506 302 L N -1.631 119.561 121.223 -0.052 0.000 2.327 302 L HA 0.683 5.024 4.340 0.001 0.000 0.258 302 L C 0.251 177.148 176.870 0.046 0.000 1.024 302 L CA -1.109 53.724 54.840 -0.011 0.000 0.825 302 L CB 2.066 44.105 42.059 -0.033 0.000 1.386 302 L HN 0.212 nan 8.230 nan 0.000 0.417 303 Q N 0.125 119.960 119.800 0.058 0.000 2.399 303 Q HA 0.459 4.799 4.340 0.001 0.000 0.276 303 Q C 0.727 176.806 176.000 0.133 0.000 1.098 303 Q CA -0.781 55.080 55.803 0.096 0.000 0.827 303 Q CB 2.996 31.785 28.738 0.086 0.000 1.386 303 Q HN 0.543 nan 8.270 nan 0.000 0.443 304 I N 0.407 121.088 120.570 0.186 0.000 2.194 304 I HA -0.326 3.845 4.170 0.001 0.000 0.246 304 I C 1.998 178.320 176.117 0.341 0.000 1.093 304 I CA 1.768 63.273 61.300 0.343 0.000 1.355 304 I CB -0.243 37.902 38.000 0.241 0.000 1.046 304 I HN 0.617 nan 8.210 nan 0.000 0.413 305 S N -0.708 115.110 115.700 0.196 0.000 2.603 305 S HA -0.077 4.393 4.470 0.001 0.000 0.229 305 S C 1.209 175.883 174.600 0.122 0.000 0.972 305 S CA 0.596 58.892 58.200 0.160 0.000 0.935 305 S CB -0.289 62.973 63.200 0.103 0.000 0.769 305 S HN 0.403 nan 8.310 nan 0.000 0.536 306 D N 0.883 121.342 120.400 0.098 0.000 2.366 306 D HA 0.210 4.850 4.640 0.001 0.000 0.205 306 D C 0.334 176.626 176.300 -0.014 0.000 1.022 306 D CA 0.080 54.100 54.000 0.034 0.000 0.868 306 D CB 0.168 40.972 40.800 0.007 0.000 0.953 306 D HN 0.362 nan 8.370 nan 0.000 0.514 307 I N 2.121 122.680 120.570 -0.018 0.000 2.529 307 I HA -0.009 4.161 4.170 0.001 0.000 0.284 307 I C 1.205 177.242 176.117 -0.133 0.000 1.082 307 I CA 0.189 61.359 61.300 -0.216 0.000 1.406 307 I CB 0.823 38.458 38.000 -0.610 0.000 1.405 307 I HN -0.156 nan 8.210 nan 0.000 0.548 308 D N 5.208 125.487 120.400 -0.202 0.000 2.338 308 D HA 0.168 4.808 4.640 0.001 0.000 0.208 308 D C 0.381 176.626 176.300 -0.092 0.000 0.997 308 D CA 0.837 54.784 54.000 -0.089 0.000 0.880 308 D CB 0.847 41.601 40.800 -0.076 0.000 0.980 308 D HN 0.319 nan 8.370 nan 0.000 0.509 309 L N -0.202 120.853 121.223 -0.281 0.000 2.386 309 L HA 0.425 4.765 4.340 0.001 0.000 0.271 309 L C -1.375 175.277 176.870 -0.362 0.000 0.993 309 L CA -0.846 53.889 54.840 -0.175 0.000 0.819 309 L CB 2.372 44.391 42.059 -0.067 0.000 1.294 309 L HN -0.155 nan 8.230 nan 0.000 0.414 310 W N 2.322 123.660 121.300 0.064 0.000 2.485 310 W HA 0.559 5.219 4.660 0.001 0.000 0.297 310 W C 0.006 176.532 176.519 0.011 0.000 0.999 310 W CA -0.473 56.907 57.345 0.058 0.000 1.512 310 W CB 1.728 31.231 29.460 0.072 0.000 1.322 310 W HN 0.503 nan 8.180 nan 0.000 0.419 311 A N 4.605 127.540 122.820 0.192 0.000 2.906 311 A HA 0.389 4.710 4.320 0.001 0.000 0.289 311 A C -0.035 177.454 177.584 -0.160 0.000 1.675 311 A CA -0.068 52.012 52.037 0.072 0.000 1.372 311 A CB -0.588 18.489 19.000 0.129 0.000 1.091 311 A HN 0.594 nan 8.150 nan 0.000 0.579 312 I N 1.699 122.125 120.570 -0.240 0.000 2.395 312 I HA 0.074 4.245 4.170 0.001 0.000 0.289 312 I C 0.713 176.642 176.117 -0.312 0.000 1.023 312 I CA -0.646 60.336 61.300 -0.529 0.000 1.350 312 I CB 0.763 38.557 38.000 -0.343 0.000 1.409 312 I HN 0.665 nan 8.210 nan 0.000 0.507 313 H N 8.989 127.846 119.070 -0.354 0.000 3.145 313 H HA 0.074 4.630 4.556 0.001 0.000 0.288 313 H C -1.988 173.264 175.328 -0.127 0.000 0.969 313 H CA -1.367 54.573 56.048 -0.180 0.000 1.444 313 H CB 0.580 30.270 29.762 -0.120 0.000 1.500 313 H HN 0.240 nan 8.280 nan 0.000 0.552 314 P HA 0.096 nan 4.420 nan 0.000 0.225 314 P C 0.686 177.650 177.300 -0.559 0.000 1.813 314 P CA 0.102 62.886 63.100 -0.527 0.000 1.013 314 P CB 0.144 31.625 31.700 -0.365 0.000 1.961 315 G N 0.737 109.309 108.800 -0.378 0.000 2.551 315 G HA2 0.310 4.270 3.960 0.001 0.000 0.216 315 G HA3 0.310 4.270 3.960 0.001 0.000 0.216 315 G C 0.645 175.544 174.900 -0.002 0.000 1.137 315 G CA 0.435 45.493 45.100 -0.070 0.000 0.798 315 G HN 0.646 nan 8.290 nan 0.000 0.536 316 G N -1.363 107.405 108.800 -0.053 0.000 2.328 316 G HA2 0.430 4.391 3.960 0.001 0.000 0.295 316 G HA3 0.430 4.391 3.960 0.001 0.000 0.295 316 G C -2.308 172.560 174.900 -0.053 0.000 1.413 316 G CA 0.020 45.112 45.100 -0.012 0.000 0.817 316 G HN -0.165 nan 8.290 nan 0.000 0.546 317 P HA -0.114 nan 4.420 nan 0.000 0.216 317 P C 1.276 178.646 177.300 0.116 0.000 1.150 317 P CA 1.269 64.471 63.100 0.171 0.000 0.837 317 P CB 0.293 32.163 31.700 0.282 0.000 0.786 318 K N -0.553 119.886 120.400 0.066 0.000 2.103 318 K HA 0.017 4.338 4.320 0.001 0.000 0.204 318 K C 2.385 179.000 176.600 0.025 0.000 1.052 318 K CA 0.891 57.206 56.287 0.047 0.000 0.945 318 K CB -0.374 32.137 32.500 0.018 0.000 0.722 318 K HN 0.165 nan 8.250 nan 0.000 0.443 319 I N 1.052 121.627 120.570 0.009 0.000 2.179 319 I HA -0.285 3.886 4.170 0.001 0.000 0.242 319 I C 2.243 178.392 176.117 0.053 0.000 1.088 319 I CA 1.348 62.673 61.300 0.041 0.000 1.357 319 I CB -0.266 37.794 38.000 0.100 0.000 1.051 319 I HN 0.100 nan 8.210 nan 0.000 0.409 320 I N 0.424 120.923 120.570 -0.118 0.000 2.163 320 I HA -0.275 3.895 4.170 0.001 0.000 0.240 320 I C 2.669 178.745 176.117 -0.068 0.000 1.081 320 I CA 1.381 62.527 61.300 -0.257 0.000 1.353 320 I CB -0.507 36.964 38.000 -0.883 0.000 1.054 320 I HN 0.272 nan 8.210 nan 0.000 0.407 321 E N 0.820 121.038 120.200 0.029 0.000 2.065 321 E HA -0.307 4.043 4.350 0.001 0.000 0.201 321 E C 2.217 178.910 176.600 0.156 0.000 1.016 321 E CA 1.617 58.141 56.400 0.207 0.000 0.818 321 E CB 0.031 29.879 29.700 0.248 0.000 0.749 321 E HN 0.406 nan 8.360 nan 0.000 0.453 322 Q N 0.059 119.938 119.800 0.131 0.000 2.167 322 Q HA -0.062 4.279 4.340 0.001 0.000 0.202 322 Q C 2.356 178.491 176.000 0.225 0.000 0.970 322 Q CA 1.106 57.013 55.803 0.173 0.000 0.855 322 Q CB -0.140 28.676 28.738 0.129 0.000 0.911 322 Q HN 0.195 nan 8.270 nan 0.000 0.438 323 S N 0.271 116.109 115.700 0.229 0.000 2.383 323 S HA -0.074 4.396 4.470 0.001 0.000 0.227 323 S C 2.123 176.845 174.600 0.204 0.000 1.026 323 S CA 0.900 59.297 58.200 0.328 0.000 0.981 323 S CB -0.050 63.458 63.200 0.512 0.000 0.818 323 S HN 0.141 nan 8.310 nan 0.000 0.472 324 V N 1.397 121.393 119.914 0.137 0.000 2.453 324 V HA -0.051 4.069 4.120 0.001 0.000 0.247 324 V C 2.349 178.477 176.094 0.057 0.000 1.048 324 V CA 1.511 63.844 62.300 0.055 0.000 1.049 324 V CB -0.489 31.391 31.823 0.095 0.000 0.672 324 V HN 0.341 nan 8.190 nan 0.000 0.457 325 R N -0.563 120.020 120.500 0.139 0.000 2.236 325 R HA -0.058 4.283 4.340 0.001 0.000 0.208 325 R C 2.477 178.907 176.300 0.216 0.000 1.036 325 R CA 1.101 57.309 56.100 0.181 0.000 1.001 325 R CB -0.123 30.306 30.300 0.216 0.000 0.896 325 R HN 0.451 nan 8.270 nan 0.000 0.464 326 S N 0.230 116.016 115.700 0.144 0.000 2.357 326 S HA 0.002 4.473 4.470 0.001 0.000 0.221 326 S C 1.730 176.265 174.600 -0.109 0.000 1.031 326 S CA 0.755 58.906 58.200 -0.082 0.000 0.982 326 S CB -0.002 63.127 63.200 -0.117 0.000 0.853 326 S HN 0.335 nan 8.310 nan 0.000 0.458 327 L N 0.694 121.851 121.223 -0.109 0.000 2.291 327 L HA 0.167 4.508 4.340 0.001 0.000 0.214 327 L C 1.844 178.624 176.870 -0.150 0.000 1.120 327 L CA 0.626 55.347 54.840 -0.199 0.000 0.799 327 L CB -0.635 41.159 42.059 -0.442 0.000 0.925 327 L HN 0.580 nan 8.230 nan 0.000 0.446 328 G N 1.103 109.854 108.800 -0.081 0.000 2.153 328 G HA2 -0.293 3.667 3.960 0.001 0.000 0.252 328 G HA3 -0.293 3.667 3.960 0.001 0.000 0.252 328 G C 0.398 175.266 174.900 -0.054 0.000 0.994 328 G CA 0.533 45.612 45.100 -0.036 0.000 0.698 328 G HN 0.480 nan 8.290 nan 0.000 0.521 329 I N -1.569 118.927 120.570 -0.124 0.000 2.970 329 I HA 0.758 4.928 4.170 0.001 0.000 0.310 329 I C 0.995 177.092 176.117 -0.033 0.000 1.010 329 I CA -0.403 60.829 61.300 -0.114 0.000 1.228 329 I CB 1.119 38.936 38.000 -0.305 0.000 1.433 329 I HN 0.151 nan 8.210 nan 0.000 0.573 330 S N 1.745 117.451 115.700 0.010 0.000 2.568 330 S HA 0.290 4.761 4.470 0.001 0.000 0.282 330 S C 1.197 175.835 174.600 0.063 0.000 1.338 330 S CA 0.062 58.288 58.200 0.043 0.000 1.045 330 S CB 1.065 64.301 63.200 0.061 0.000 0.873 330 S HN 0.832 nan 8.310 nan 0.000 0.516 331 A N 3.508 126.374 122.820 0.076 0.000 2.019 331 A HA -0.029 4.291 4.320 0.001 0.000 0.219 331 A C 1.856 179.529 177.584 0.149 0.000 1.164 331 A CA 1.584 53.693 52.037 0.119 0.000 0.644 331 A CB -0.663 18.384 19.000 0.079 0.000 0.805 331 A HN 0.962 nan 8.150 nan 0.000 0.449 332 E N -0.133 120.134 120.200 0.111 0.000 2.268 332 E HA -0.042 4.309 4.350 0.001 0.000 0.195 332 E C 1.492 178.189 176.600 0.162 0.000 0.995 332 E CA 0.527 57.000 56.400 0.121 0.000 0.836 332 E CB -0.217 29.535 29.700 0.087 0.000 0.763 332 E HN 0.628 nan 8.360 nan 0.000 0.491 333 L N 0.134 121.459 121.223 0.169 0.000 2.465 333 L HA -0.031 4.310 4.340 0.001 0.000 0.224 333 L C 1.886 178.898 176.870 0.237 0.000 1.145 333 L CA 0.318 55.289 54.840 0.218 0.000 0.834 333 L CB -0.078 42.132 42.059 0.251 0.000 0.944 333 L HN 0.101 nan 8.230 nan 0.000 0.451 334 A N -0.643 122.320 122.820 0.238 0.000 2.415 334 A HA 0.420 4.740 4.320 0.001 0.000 0.248 334 A C 2.185 179.967 177.584 0.330 0.000 1.299 334 A CA 0.622 52.791 52.037 0.220 0.000 0.899 334 A CB -0.167 18.941 19.000 0.180 0.000 0.997 334 A HN 0.277 nan 8.150 nan 0.000 0.506 335 A N 0.112 123.116 122.820 0.307 0.000 1.883 335 A HA -0.232 4.089 4.320 0.001 0.000 0.217 335 A C 2.033 179.756 177.584 0.233 0.000 1.186 335 A CA 1.999 54.209 52.037 0.287 0.000 0.624 335 A CB -0.460 18.650 19.000 0.183 0.000 0.822 335 A HN 0.507 nan 8.150 nan 0.000 0.444 336 Q N 0.037 119.939 119.800 0.170 0.000 2.135 336 Q HA -0.098 4.243 4.340 0.001 0.000 0.204 336 Q C 2.413 178.478 176.000 0.109 0.000 0.981 336 Q CA 1.974 57.858 55.803 0.135 0.000 0.856 336 Q CB -0.355 28.454 28.738 0.117 0.000 0.902 336 Q HN 0.638 nan 8.270 nan 0.000 0.425 337 S N -0.634 115.096 115.700 0.051 0.000 2.371 337 S HA -0.119 4.352 4.470 0.001 0.000 0.224 337 S C 1.401 175.957 174.600 -0.074 0.000 1.029 337 S CA 0.838 58.992 58.200 -0.076 0.000 0.978 337 S CB -0.415 62.654 63.200 -0.217 0.000 0.833 337 S HN 0.465 nan 8.310 nan 0.000 0.466 338 W N 1.937 123.254 121.300 0.027 0.000 2.338 338 W HA -0.158 4.503 4.660 0.001 0.000 0.304 338 W C 2.235 178.766 176.519 0.018 0.000 1.212 338 W CA 1.109 58.465 57.345 0.018 0.000 1.264 338 W CB -0.418 29.055 29.460 0.022 0.000 1.142 338 W HN 0.389 nan 8.180 nan 0.000 0.512 339 D N -0.332 120.229 120.400 0.268 0.000 2.117 339 D HA -0.193 4.447 4.640 0.001 0.000 0.197 339 D C 1.920 178.307 176.300 0.146 0.000 0.987 339 D CA 1.800 55.905 54.000 0.175 0.000 0.829 339 D CB -0.210 40.682 40.800 0.154 0.000 0.961 339 D HN -0.062 nan 8.370 nan 0.000 0.460 340 V N 0.738 120.750 119.914 0.163 0.000 2.358 340 V HA -0.171 3.950 4.120 0.001 0.000 0.246 340 V C 2.534 178.713 176.094 0.141 0.000 1.047 340 V CA 1.224 63.662 62.300 0.229 0.000 1.035 340 V CB -0.544 31.377 31.823 0.164 0.000 0.658 340 V HN 0.412 nan 8.190 nan 0.000 0.452 341 L N 0.144 121.397 121.223 0.049 0.000 2.042 341 L HA -0.201 4.139 4.340 0.001 0.000 0.210 341 L C 2.586 179.482 176.870 0.043 0.000 1.076 341 L CA 2.192 57.043 54.840 0.018 0.000 0.749 341 L CB -0.642 41.416 42.059 -0.003 0.000 0.893 341 L HN 0.387 nan 8.230 nan 0.000 0.432 342 A N 0.166 123.029 122.820 0.071 0.000 1.902 342 A HA -0.230 4.090 4.320 0.001 0.000 0.217 342 A C 2.194 179.723 177.584 -0.091 0.000 1.181 342 A CA 1.722 53.774 52.037 0.026 0.000 0.623 342 A CB -0.444 18.587 19.000 0.052 0.000 0.818 342 A HN 0.496 nan 8.150 nan 0.000 0.443 343 R N -2.641 117.730 120.500 -0.215 0.000 2.276 343 R HA 0.192 4.533 4.340 0.001 0.000 0.196 343 R C 0.293 176.045 176.300 -0.912 0.000 0.961 343 R CA 0.807 56.557 56.100 -0.583 0.000 1.024 343 R CB 0.054 29.871 30.300 -0.804 0.000 0.940 343 R HN 0.575 nan 8.270 nan 0.000 0.480 344 F N -1.204 118.717 119.950 -0.049 0.000 2.925 344 F HA 0.345 4.873 4.527 0.001 0.000 0.359 344 F C 1.141 176.871 175.800 -0.117 0.000 1.038 344 F CA 0.190 58.121 58.000 -0.115 0.000 1.130 344 F CB 0.656 39.493 39.000 -0.272 0.000 1.093 344 F HN 0.085 nan 8.300 nan 0.000 0.561 345 G N 1.602 110.431 108.800 0.048 0.000 2.698 345 G HA2 -0.290 3.671 3.960 0.001 0.000 0.233 345 G HA3 -0.290 3.671 3.960 0.001 0.000 0.233 345 G C -0.593 174.291 174.900 -0.026 0.000 1.352 345 G CA -0.414 44.700 45.100 0.022 0.000 0.879 345 G HN 0.337 nan 8.290 nan 0.000 0.567 346 N N 0.339 119.022 118.700 -0.027 0.000 2.420 346 N HA 0.507 5.247 4.740 0.001 0.000 0.249 346 N C 1.012 176.389 175.510 -0.222 0.000 1.033 346 N CA -0.287 52.680 53.050 -0.137 0.000 0.944 346 N CB 0.397 38.811 38.487 -0.122 0.000 1.113 346 N HN 0.473 nan 8.380 nan 0.000 0.502 347 M N 3.952 123.419 119.600 -0.223 0.000 2.549 347 M HA 0.116 4.596 4.480 0.001 0.000 0.273 347 M C 0.026 176.210 176.300 -0.193 0.000 1.213 347 M CA -0.433 54.731 55.300 -0.228 0.000 0.976 347 M CB 0.051 32.467 32.600 -0.306 0.000 1.457 347 M HN 0.362 nan 8.290 nan 0.000 0.485 348 L N -0.871 120.229 121.223 -0.205 0.000 6.412 348 L HA -0.435 3.906 4.340 0.001 0.000 0.053 348 L C 1.983 178.803 176.870 -0.084 0.000 2.199 348 L CA 2.340 57.073 54.840 -0.178 0.000 1.611 348 L CB -2.042 39.872 42.059 -0.242 0.000 2.801 348 L HN 0.557 nan 8.230 nan 0.000 1.044 349 S N -1.327 114.301 115.700 -0.119 0.000 2.400 349 S HA -0.133 4.337 4.470 0.001 0.000 0.232 349 S C 1.694 176.274 174.600 -0.034 0.000 1.025 349 S CA 1.635 59.776 58.200 -0.097 0.000 0.993 349 S CB -0.722 62.432 63.200 -0.076 0.000 0.808 349 S HN 0.400 nan 8.310 nan 0.000 0.478 350 V N 2.104 122.002 119.914 -0.026 0.000 2.343 350 V HA -0.154 3.966 4.120 0.001 0.000 0.247 350 V C 2.845 178.971 176.094 0.053 0.000 1.051 350 V CA 1.972 64.279 62.300 0.012 0.000 1.036 350 V CB -1.321 30.481 31.823 -0.035 0.000 0.654 350 V HN 0.558 nan 8.190 nan 0.000 0.451 351 S N 0.214 115.896 115.700 -0.029 0.000 2.380 351 S HA -0.249 4.222 4.470 0.001 0.000 0.229 351 S C 1.910 176.546 174.600 0.059 0.000 1.043 351 S CA 1.782 59.940 58.200 -0.071 0.000 1.038 351 S CB -0.506 62.595 63.200 -0.166 0.000 0.872 351 S HN 0.395 nan 8.310 nan 0.000 0.456 352 L N 1.481 122.776 121.223 0.120 0.000 2.079 352 L HA -0.030 4.310 4.340 0.001 0.000 0.210 352 L C 1.923 178.804 176.870 0.019 0.000 1.081 352 L CA 1.517 56.396 54.840 0.064 0.000 0.752 352 L CB -0.632 41.448 42.059 0.035 0.000 0.896 352 L HN 0.335 nan 8.230 nan 0.000 0.433 353 I N -2.310 118.285 120.570 0.041 0.000 2.439 353 I HA -0.288 3.882 4.170 0.001 0.000 0.251 353 I C 2.117 178.235 176.117 0.001 0.000 1.139 353 I CA 0.763 62.057 61.300 -0.011 0.000 1.438 353 I CB -0.292 37.696 38.000 -0.019 0.000 1.085 353 I HN 0.116 nan 8.210 nan 0.000 0.427 354 F N 0.665 120.541 119.950 -0.123 0.000 2.075 354 F HA -0.212 4.315 4.527 0.001 0.000 0.297 354 F C 2.490 178.251 175.800 -0.065 0.000 1.113 354 F CA 1.546 59.471 58.000 -0.124 0.000 1.218 354 F CB -0.975 37.917 39.000 -0.178 0.000 0.984 354 F HN -0.199 nan 8.300 nan 0.000 0.472 355 V N 0.151 120.151 119.914 0.143 0.000 2.282 355 V HA -0.302 3.818 4.120 0.001 0.000 0.249 355 V C 2.447 178.553 176.094 0.020 0.000 1.057 355 V CA 1.494 63.838 62.300 0.073 0.000 1.032 355 V CB -0.807 31.034 31.823 0.030 0.000 0.645 355 V HN 0.307 nan 8.190 nan 0.000 0.447 356 L N 0.279 121.476 121.223 -0.045 0.000 2.083 356 L HA -0.180 4.161 4.340 0.001 0.000 0.209 356 L C 2.462 179.272 176.870 -0.100 0.000 1.083 356 L CA 2.380 57.143 54.840 -0.129 0.000 0.752 356 L CB -0.826 41.086 42.059 -0.246 0.000 0.899 356 L HN 0.559 nan 8.230 nan 0.000 0.433 357 E N -0.972 119.168 120.200 -0.101 0.000 2.077 357 E HA -0.206 4.145 4.350 0.001 0.000 0.193 357 E C 1.861 178.431 176.600 -0.051 0.000 0.989 357 E CA 1.834 58.168 56.400 -0.110 0.000 0.800 357 E CB 0.118 29.702 29.700 -0.194 0.000 0.746 357 E HN 0.417 nan 8.360 nan 0.000 0.452 358 T N 0.970 115.519 114.554 -0.008 0.000 2.720 358 T HA -0.185 4.165 4.350 0.001 0.000 0.268 358 T C 1.809 176.530 174.700 0.036 0.000 1.037 358 T CA 1.813 63.933 62.100 0.034 0.000 1.144 358 T CB -0.164 68.751 68.868 0.078 0.000 0.864 358 T HN 0.254 nan 8.240 nan 0.000 0.444 359 M N 0.433 120.057 119.600 0.039 0.000 2.213 359 M HA -0.058 4.422 4.480 0.001 0.000 0.263 359 M C 2.370 178.696 176.300 0.044 0.000 1.062 359 M CA 1.049 56.386 55.300 0.062 0.000 1.105 359 M CB -0.520 32.143 32.600 0.104 0.000 1.385 359 M HN 0.099 nan 8.290 nan 0.000 0.417 360 V N 0.405 120.324 119.914 0.008 0.000 2.323 360 V HA -0.234 3.886 4.120 0.001 0.000 0.244 360 V C 2.260 178.356 176.094 0.003 0.000 1.041 360 V CA 1.701 64.000 62.300 -0.001 0.000 1.025 360 V CB -0.730 31.073 31.823 -0.034 0.000 0.656 360 V HN 0.510 nan 8.190 nan 0.000 0.451 361 Q N 0.603 120.402 119.800 -0.002 0.000 2.079 361 Q HA -0.131 4.209 4.340 0.001 0.000 0.200 361 Q C 0.914 176.924 176.000 0.016 0.000 0.974 361 Q CA 1.057 56.862 55.803 0.003 0.000 0.840 361 Q CB -0.019 28.719 28.738 -0.000 0.000 0.898 361 Q HN 0.789 nan 8.270 nan 0.000 0.430 362 Q N 0.019 119.836 119.800 0.028 0.000 2.339 362 Q HA 0.656 4.997 4.340 0.001 0.000 0.268 362 Q C -1.307 174.717 176.000 0.041 0.000 1.027 362 Q CA -0.697 55.127 55.803 0.034 0.000 0.759 362 Q CB 1.623 30.385 28.738 0.040 0.000 1.244 362 Q HN 0.020 nan 8.270 nan 0.000 0.464 363 A N 3.355 126.196 122.820 0.035 0.000 2.492 363 A HA 0.050 4.371 4.320 0.001 0.000 0.254 363 A C 1.092 178.700 177.584 0.040 0.000 1.091 363 A CA -0.222 51.837 52.037 0.036 0.000 0.768 363 A CB 0.248 19.265 19.000 0.028 0.000 1.028 363 A HN 0.893 nan 8.150 nan 0.000 0.498 364 E N 2.181 122.408 120.200 0.045 0.000 2.427 364 E HA -0.024 4.327 4.350 0.001 0.000 0.196 364 E C 0.457 177.081 176.600 0.040 0.000 1.028 364 E CA 1.091 57.520 56.400 0.049 0.000 0.864 364 E CB -0.366 29.369 29.700 0.058 0.000 0.813 364 E HN 0.777 nan 8.360 nan 0.000 0.514 365 S N -1.639 114.079 115.700 0.031 0.000 2.757 365 S HA 0.700 5.171 4.470 0.001 0.000 0.285 365 S C 0.219 174.830 174.600 0.020 0.000 1.196 365 S CA -0.365 57.850 58.200 0.025 0.000 0.856 365 S CB 0.901 64.114 63.200 0.022 0.000 1.212 365 S HN 0.128 nan 8.310 nan 0.000 0.516 366 A N 0.331 123.161 122.820 0.016 0.000 2.308 366 A HA 0.315 4.635 4.320 0.001 0.000 0.217 366 A C 0.782 178.372 177.584 0.010 0.000 1.216 366 A CA -0.230 51.815 52.037 0.013 0.000 0.864 366 A CB -0.641 18.367 19.000 0.012 0.000 0.902 366 A HN 0.754 nan 8.150 nan 0.000 0.499 367 K N 0.177 120.582 120.400 0.008 0.000 2.258 367 K HA 0.556 4.877 4.320 0.001 0.000 0.264 367 K C 0.025 176.627 176.600 0.003 0.000 1.007 367 K CA 0.080 56.369 56.287 0.004 0.000 0.941 367 K CB 0.675 33.175 32.500 -0.001 0.000 0.966 367 K HN 0.050 nan 8.250 nan 0.000 0.480 368 A N 3.748 126.569 122.820 0.001 0.000 2.366 368 A HA 0.396 4.717 4.320 0.001 0.000 0.272 368 A C 0.133 177.716 177.584 -0.001 0.000 1.135 368 A CA -0.732 51.306 52.037 0.002 0.000 0.804 368 A CB -0.513 18.488 19.000 0.001 0.000 1.064 368 A HN 0.873 nan 8.150 nan 0.000 0.499 369 I N 1.244 121.816 120.570 0.003 0.000 8.311 369 I HA -0.190 3.981 4.170 0.001 0.000 0.126 369 I C 0.013 176.124 176.117 -0.011 0.000 1.853 369 I CA 0.220 61.521 61.300 0.001 0.000 2.041 369 I CB -1.230 36.767 38.000 -0.005 0.000 3.804 369 I HN 0.619 nan 8.210 nan 0.000 0.170 370 S N 4.998 120.694 115.700 -0.006 0.000 2.442 370 S HA 0.534 5.005 4.470 0.001 0.000 0.297 370 S C 0.084 174.625 174.600 -0.098 0.000 1.131 370 S CA -0.591 57.588 58.200 -0.034 0.000 1.092 370 S CB 1.806 65.006 63.200 -0.000 0.000 0.998 370 S HN 0.535 nan 8.310 nan 0.000 0.478 371 T N 3.000 117.447 114.554 -0.177 0.000 2.749 371 T HA 0.656 5.006 4.350 0.001 0.000 0.287 371 T C 0.472 174.844 174.700 -0.546 0.000 0.970 371 T CA -0.522 61.387 62.100 -0.318 0.000 0.980 371 T CB 1.236 69.960 68.868 -0.240 0.000 0.924 371 T HN 0.713 nan 8.240 nan 0.000 0.456 372 G N 1.141 109.318 108.800 -1.039 0.000 2.658 372 G HA2 0.676 4.637 3.960 0.001 0.000 0.292 372 G HA3 0.676 4.637 3.960 0.001 0.000 0.292 372 G C -1.563 172.533 174.900 -1.340 0.000 1.320 372 G CA -0.599 43.720 45.100 -1.302 0.000 0.933 372 G HN 0.641 nan 8.290 nan 0.000 0.476 373 V N 0.225 119.664 119.914 -0.791 0.000 2.531 373 V HA 0.738 4.858 4.120 0.001 0.000 0.301 373 V C 0.183 176.419 176.094 0.237 0.000 1.034 373 V CA -0.617 61.554 62.300 -0.215 0.000 0.865 373 V CB 1.249 32.923 31.823 -0.249 0.000 0.995 373 V HN 1.187 nan 8.190 nan 0.000 0.424 374 A N 5.272 128.352 122.820 0.434 0.000 2.340 374 A HA 1.072 5.393 4.320 0.001 0.000 0.331 374 A C -0.992 176.753 177.584 0.268 0.000 1.140 374 A CA -0.455 51.747 52.037 0.275 0.000 0.801 374 A CB 1.270 20.376 19.000 0.177 0.000 1.234 374 A HN 1.408 nan 8.150 nan 0.000 0.469 375 F N -1.398 118.583 119.950 0.052 0.000 2.725 375 F HA 0.812 5.340 4.527 0.001 0.000 0.309 375 F C -0.561 175.090 175.800 -0.249 0.000 1.132 375 F CA -0.519 57.415 58.000 -0.109 0.000 0.957 375 F CB 0.690 39.713 39.000 0.037 0.000 1.286 375 F HN 1.153 nan 8.300 nan 0.000 0.440 376 A N 1.389 124.108 122.820 -0.169 0.000 2.583 376 A HA 0.899 5.220 4.320 0.001 0.000 0.289 376 A C -2.278 174.919 177.584 -0.646 0.000 1.151 376 A CA -0.889 50.899 52.037 -0.416 0.000 0.695 376 A CB 1.274 20.062 19.000 -0.353 0.000 1.290 376 A HN 0.745 nan 8.150 nan 0.000 0.419 377 F N -0.189 119.775 119.950 0.022 0.000 2.495 377 F HA 0.681 5.208 4.527 0.001 0.000 0.327 377 F C 0.869 176.640 175.800 -0.048 0.000 1.103 377 F CA -0.163 57.853 58.000 0.026 0.000 0.949 377 F CB 2.392 41.439 39.000 0.080 0.000 1.142 377 F HN 0.813 nan 8.300 nan 0.000 0.457 378 G N 1.309 110.179 108.800 0.116 0.000 2.788 378 G HA2 0.706 4.666 3.960 0.001 0.000 0.293 378 G HA3 0.706 4.666 3.960 0.001 0.000 0.293 378 G C -3.137 171.791 174.900 0.047 0.000 1.305 378 G CA -2.307 42.813 45.100 0.034 0.000 1.005 378 G HN 0.268 nan 8.290 nan 0.000 0.496 379 P HA 0.178 nan 4.420 nan 0.000 0.269 379 P C 1.097 178.404 177.300 0.011 0.000 1.211 379 P CA 1.834 64.930 63.100 -0.007 0.000 0.781 379 P CB 0.748 32.421 31.700 -0.044 0.000 0.877 380 G N 0.211 109.014 108.800 0.005 0.000 2.284 380 G HA2 -0.295 3.665 3.960 0.001 0.000 0.261 380 G HA3 -0.295 3.665 3.960 0.001 0.000 0.261 380 G C 0.029 174.924 174.900 -0.010 0.000 0.997 380 G CA -0.030 45.068 45.100 -0.004 0.000 0.621 380 G HN 0.738 nan 8.290 nan 0.000 0.534 381 V N -0.229 119.701 119.914 0.027 0.000 3.906 381 V HA -0.126 3.994 4.120 0.001 0.000 0.429 381 V C 0.304 176.442 176.094 0.073 0.000 0.673 381 V CA 1.386 63.724 62.300 0.063 0.000 1.832 381 V CB -1.714 30.112 31.823 0.005 0.000 2.254 381 V HN 1.228 nan 8.190 nan 0.000 0.488 382 T N 4.507 119.128 114.554 0.113 0.000 2.812 382 T HA 0.602 4.952 4.350 0.001 0.000 0.282 382 T C -0.086 174.696 174.700 0.136 0.000 0.990 382 T CA -0.626 61.531 62.100 0.095 0.000 0.960 382 T CB 2.182 71.079 68.868 0.048 0.000 0.948 382 T HN 0.426 nan 8.240 nan 0.000 0.438 383 V N 4.408 124.406 119.914 0.139 0.000 2.432 383 V HA 0.283 4.404 4.120 0.001 0.000 0.271 383 V C 0.145 176.233 176.094 -0.010 0.000 1.046 383 V CA -0.351 62.002 62.300 0.089 0.000 0.945 383 V CB 0.706 32.627 31.823 0.162 0.000 0.992 383 V HN 0.770 nan 8.190 nan 0.000 0.471 384 E N 3.897 123.996 120.200 -0.168 0.000 2.176 384 E HA 0.731 5.081 4.350 0.001 0.000 0.267 384 E C 0.144 176.428 176.600 -0.528 0.000 0.893 384 E CA -0.237 55.974 56.400 -0.316 0.000 0.761 384 E CB 2.567 32.142 29.700 -0.208 0.000 1.133 384 E HN 0.810 nan 8.360 nan 0.000 0.409 385 G N 1.401 109.515 108.800 -1.144 0.000 2.682 385 G HA2 0.701 4.661 3.960 0.001 0.000 0.303 385 G HA3 0.701 4.661 3.960 0.001 0.000 0.303 385 G C -1.129 173.279 174.900 -0.819 0.000 1.341 385 G CA -0.801 43.671 45.100 -1.047 0.000 0.784 385 G HN 0.433 nan 8.290 nan 0.000 0.497 386 M N -1.048 118.485 119.600 -0.113 0.000 2.534 386 M HA 0.771 5.251 4.480 0.001 0.000 0.280 386 M C -2.120 174.386 176.300 0.344 0.000 1.217 386 M CA -0.960 54.438 55.300 0.162 0.000 0.893 386 M CB 2.268 34.926 32.600 0.097 0.000 1.730 386 M HN 0.665 nan 8.290 nan 0.000 0.483 387 L N 3.654 125.039 121.223 0.270 0.000 2.307 387 L HA 0.887 5.228 4.340 0.001 0.000 0.282 387 L C -1.524 175.441 176.870 0.158 0.000 1.051 387 L CA 0.007 54.919 54.840 0.119 0.000 0.804 387 L CB 1.190 43.286 42.059 0.062 0.000 1.197 387 L HN 0.763 nan 8.230 nan 0.000 0.431 388 F N 1.384 121.323 119.950 -0.019 0.000 2.645 388 F HA 0.735 5.262 4.527 0.001 0.000 0.310 388 F C -1.396 174.379 175.800 -0.042 0.000 1.102 388 F CA -1.037 56.948 58.000 -0.026 0.000 0.952 388 F CB 1.223 40.208 39.000 -0.026 0.000 1.326 388 F HN 0.322 nan 8.300 nan 0.000 0.456 389 D N 2.205 122.728 120.400 0.204 0.000 2.350 389 D HA 0.587 5.228 4.640 0.001 0.000 0.245 389 D C -0.717 175.708 176.300 0.208 0.000 1.036 389 D CA -0.107 53.953 54.000 0.101 0.000 0.848 389 D CB 2.732 43.555 40.800 0.037 0.000 1.307 389 D HN 0.609 nan 8.370 nan 0.000 0.469 390 I N 2.146 122.811 120.570 0.158 0.000 2.406 390 I HA 0.343 4.514 4.170 0.001 0.000 0.290 390 I C 0.075 176.230 176.117 0.064 0.000 0.999 390 I CA -0.780 60.598 61.300 0.130 0.000 1.124 390 I CB 1.732 39.821 38.000 0.149 0.000 1.289 390 I HN 0.139 nan 8.210 nan 0.000 0.441 391 I N 6.567 127.164 120.570 0.045 0.000 2.337 391 I HA 0.178 4.349 4.170 0.001 0.000 0.291 391 I C 1.178 177.308 176.117 0.021 0.000 1.046 391 I CA -0.331 60.986 61.300 0.027 0.000 1.324 391 I CB 0.736 38.748 38.000 0.021 0.000 1.409 391 I HN 0.607 nan 8.210 nan 0.000 0.494 392 R N 5.850 126.360 120.500 0.017 0.000 2.090 392 R HA 0.179 4.519 4.340 0.001 0.000 0.219 392 R C 0.559 176.865 176.300 0.009 0.000 1.100 392 R CA 0.787 56.895 56.100 0.014 0.000 0.991 392 R CB -0.084 30.224 30.300 0.014 0.000 0.893 392 R HN 0.700 nan 8.270 nan 0.000 0.443 393 R N 0.000 120.504 120.500 0.007 0.000 2.786 393 R HA 0.000 4.340 4.340 0.001 0.000 0.208 393 R CA 0.000 56.103 56.100 0.005 0.000 0.921 393 R CB 0.000 30.302 30.300 0.004 0.000 0.687 393 R HN 0.000 nan 8.270 nan 0.000 0.535