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 1tee_1_B 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 CIELFSVNAV 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 0.000 174.693 174.700 -0.012 0.000 1.109 31 T CA 0.000 62.089 62.100 -0.019 0.000 1.349 31 T CB 0.000 68.850 68.868 -0.031 0.000 0.612 32 V N 2.725 122.634 119.914 -0.008 0.000 2.789 32 V HA 0.885 5.007 4.120 0.002 0.000 0.311 32 V C 0.226 176.322 176.094 0.003 0.000 1.073 32 V CA -0.921 61.380 62.300 0.001 0.000 0.921 32 V CB 1.870 33.697 31.823 0.007 0.000 1.009 32 V HN 1.204 nan 8.190 nan 0.000 0.426 33 A N 3.845 126.671 122.820 0.010 0.000 2.276 33 A HA 0.779 5.100 4.320 0.002 0.000 0.300 33 A C -0.593 177.002 177.584 0.018 0.000 1.235 33 A CA -0.340 51.704 52.037 0.012 0.000 0.867 33 A CB 0.661 19.671 19.000 0.016 0.000 1.137 33 A HN 0.730 nan 8.150 nan 0.000 0.527 34 V N 4.287 124.211 119.914 0.016 0.000 2.604 34 V HA 0.318 4.439 4.120 0.002 0.000 0.305 34 V C -0.063 176.040 176.094 0.014 0.000 1.043 34 V CA -0.384 61.928 62.300 0.020 0.000 0.888 34 V CB 1.862 33.701 31.823 0.028 0.000 0.995 34 V HN 0.777 nan 8.190 nan 0.000 0.429 35 I N 3.932 124.504 120.570 0.003 0.000 2.294 35 I HA 0.239 4.411 4.170 0.002 0.000 0.295 35 I C 1.057 177.179 176.117 0.008 0.000 1.098 35 I CA 0.179 61.473 61.300 -0.010 0.000 1.277 35 I CB 0.674 38.645 38.000 -0.049 0.000 1.434 35 I HN 0.781 nan 8.210 nan 0.000 0.498 36 E N 4.252 124.474 120.200 0.036 0.000 2.452 36 E HA 0.163 4.515 4.350 0.002 0.000 0.197 36 E C 0.887 177.521 176.600 0.057 0.000 1.022 36 E CA -0.149 56.292 56.400 0.068 0.000 0.890 36 E CB 0.692 30.480 29.700 0.146 0.000 0.918 36 E HN 0.743 nan 8.360 nan 0.000 0.496 37 G N 1.048 109.870 108.800 0.037 0.000 2.659 37 G HA2 0.640 4.602 3.960 0.002 0.000 0.296 37 G HA3 0.640 4.602 3.960 0.002 0.000 0.296 37 G C -1.731 173.156 174.900 -0.022 0.000 1.369 37 G CA -0.500 44.609 45.100 0.016 0.000 0.937 37 G HN 0.035 nan 8.290 nan 0.000 0.485 38 L N 0.692 121.888 121.223 -0.045 0.000 2.565 38 L HA 0.759 5.100 4.340 0.002 0.000 0.261 38 L C -0.938 175.871 176.870 -0.102 0.000 0.932 38 L CA -0.687 54.105 54.840 -0.079 0.000 0.878 38 L CB 1.917 43.920 42.059 -0.093 0.000 1.333 38 L HN 1.024 nan 8.230 nan 0.000 0.409 39 A N 1.981 124.725 122.820 -0.127 0.000 2.547 39 A HA 0.817 5.139 4.320 0.002 0.000 0.297 39 A C -0.742 176.707 177.584 -0.225 0.000 1.056 39 A CA -0.179 51.765 52.037 -0.155 0.000 0.688 39 A CB 2.033 20.971 19.000 -0.103 0.000 1.282 39 A HN 0.610 nan 8.150 nan 0.000 0.400 40 T N -0.691 113.667 114.554 -0.328 0.000 2.924 40 T HA 0.920 5.271 4.350 0.002 0.000 0.291 40 T C 0.113 174.640 174.700 -0.289 0.000 1.045 40 T CA -0.191 61.612 62.100 -0.495 0.000 1.015 40 T CB 1.951 70.078 68.868 -1.234 0.000 1.103 40 T HN 1.978 nan 8.240 nan 0.000 0.496 41 G N -0.651 108.063 108.800 -0.142 0.000 2.682 41 G HA2 0.704 4.665 3.960 0.002 0.000 0.290 41 G HA3 0.704 4.665 3.960 0.002 0.000 0.290 41 G C -1.303 173.656 174.900 0.099 0.000 1.425 41 G CA -0.721 44.368 45.100 -0.019 0.000 0.807 41 G HN 0.954 nan 8.290 nan 0.000 0.482 42 T N 0.424 115.032 114.554 0.091 0.000 2.907 42 T HA 0.574 4.925 4.350 0.002 0.000 0.344 42 T C -2.970 171.785 174.700 0.091 0.000 1.675 42 T CA -0.575 61.595 62.100 0.116 0.000 1.076 42 T CB 1.985 70.968 68.868 0.191 0.000 1.483 42 T HN 0.485 nan 8.240 nan 0.000 0.487 43 P HA 0.266 nan 4.420 nan 0.000 0.268 43 P C 1.041 178.388 177.300 0.080 0.000 1.204 43 P CA 0.007 63.147 63.100 0.068 0.000 0.768 43 P CB 0.494 32.228 31.700 0.058 0.000 0.842 44 R N 3.844 124.383 120.500 0.065 0.000 2.113 44 R HA -0.195 4.146 4.340 0.002 0.000 0.244 44 R C 1.586 177.923 176.300 0.062 0.000 1.142 44 R CA 1.946 58.083 56.100 0.062 0.000 0.953 44 R CB -1.487 28.840 30.300 0.044 0.000 0.860 44 R HN 0.642 nan 8.270 nan 0.000 0.438 45 R N 0.768 121.301 120.500 0.055 0.000 2.486 45 R HA 0.157 4.499 4.340 0.002 0.000 0.303 45 R C -0.910 175.424 176.300 0.056 0.000 0.958 45 R CA 0.245 56.374 56.100 0.048 0.000 1.077 45 R CB 0.235 30.558 30.300 0.038 0.000 0.921 45 R HN 0.277 nan 8.270 nan 0.000 0.406 46 V N 5.698 125.641 119.914 0.048 0.000 2.532 46 V HA 0.376 4.497 4.120 0.002 0.000 0.295 46 V C -0.354 175.763 176.094 0.039 0.000 1.041 46 V CA -0.658 61.668 62.300 0.043 0.000 0.926 46 V CB 1.911 33.751 31.823 0.028 0.000 0.992 46 V HN 0.543 nan 8.190 nan 0.000 0.457 47 V N 4.270 124.210 119.914 0.043 0.000 2.443 47 V HA 0.377 4.498 4.120 0.002 0.000 0.293 47 V C -0.010 176.113 176.094 0.047 0.000 1.021 47 V CA -0.809 61.524 62.300 0.053 0.000 0.848 47 V CB 1.718 33.590 31.823 0.082 0.000 0.998 47 V HN 0.933 nan 8.190 nan 0.000 0.424 48 N N 4.551 123.275 118.700 0.041 0.000 2.458 48 N HA 0.102 4.843 4.740 0.002 0.000 0.270 48 N C 0.892 176.442 175.510 0.066 0.000 1.102 48 N CA -0.366 52.706 53.050 0.035 0.000 0.967 48 N CB 1.580 40.080 38.487 0.020 0.000 1.078 48 N HN 0.627 nan 8.380 nan 0.000 0.471 49 Q N 2.354 122.203 119.800 0.082 0.000 2.112 49 Q HA -0.133 4.208 4.340 0.002 0.000 0.206 49 Q C 1.575 177.659 176.000 0.140 0.000 0.987 49 Q CA 1.499 57.396 55.803 0.156 0.000 0.858 49 Q CB -0.332 28.489 28.738 0.138 0.000 0.905 49 Q HN 0.681 nan 8.270 nan 0.000 0.420 50 S N 1.349 117.093 115.700 0.072 0.000 2.365 50 S HA -0.170 4.301 4.470 0.002 0.000 0.225 50 S C 1.478 176.080 174.600 0.003 0.000 1.039 50 S CA 1.592 59.813 58.200 0.034 0.000 1.033 50 S CB -0.252 62.958 63.200 0.017 0.000 0.887 50 S HN 0.393 nan 8.310 nan 0.000 0.447 51 D N 1.619 122.024 120.400 0.008 0.000 2.084 51 D HA 0.004 4.646 4.640 0.002 0.000 0.196 51 D C 2.322 178.601 176.300 -0.034 0.000 0.985 51 D CA 1.221 55.213 54.000 -0.013 0.000 0.826 51 D CB -0.721 40.079 40.800 0.001 0.000 0.978 51 D HN 0.362 nan 8.370 nan 0.000 0.456 52 A N 1.767 124.595 122.820 0.014 0.000 1.896 52 A HA -0.260 4.061 4.320 0.002 0.000 0.220 52 A C 2.394 179.866 177.584 -0.187 0.000 1.206 52 A CA 3.221 55.270 52.037 0.020 0.000 0.647 52 A CB -1.071 18.058 19.000 0.215 0.000 0.828 52 A HN 0.279 nan 8.150 nan 0.000 0.455 53 A N -0.217 122.427 122.820 -0.294 0.000 1.873 53 A HA -0.282 4.039 4.320 0.002 0.000 0.218 53 A C 1.840 179.185 177.584 -0.399 0.000 1.193 53 A CA 2.143 53.779 52.037 -0.669 0.000 0.629 53 A CB -0.823 17.968 19.000 -0.348 0.000 0.826 53 A HN 0.568 nan 8.150 nan 0.000 0.447 54 D N -0.905 119.366 120.400 -0.215 0.000 2.084 54 D HA -0.146 4.495 4.640 0.002 0.000 0.194 54 D C 2.150 178.354 176.300 -0.160 0.000 0.990 54 D CA 1.250 55.157 54.000 -0.155 0.000 0.826 54 D CB -0.434 40.310 40.800 -0.094 0.000 0.971 54 D HN 0.390 nan 8.370 nan 0.000 0.453 55 R N 0.510 120.922 120.500 -0.147 0.000 2.105 55 R HA -0.108 4.233 4.340 0.002 0.000 0.239 55 R C 2.343 178.514 176.300 -0.215 0.000 1.135 55 R CA 0.726 56.740 56.100 -0.143 0.000 0.967 55 R CB -0.224 30.011 30.300 -0.108 0.000 0.861 55 R HN 0.085 nan 8.270 nan 0.000 0.442 56 V N 0.407 120.144 119.914 -0.296 0.000 2.323 56 V HA -0.188 3.933 4.120 0.002 0.000 0.244 56 V C 2.438 178.366 176.094 -0.276 0.000 1.041 56 V CA 1.718 63.787 62.300 -0.386 0.000 1.025 56 V CB -0.668 30.899 31.823 -0.426 0.000 0.656 56 V HN 0.408 nan 8.190 nan 0.000 0.451 57 A N 0.140 122.807 122.820 -0.255 0.000 1.903 57 A HA -0.300 4.021 4.320 0.002 0.000 0.219 57 A C 1.885 179.395 177.584 -0.123 0.000 1.191 57 A CA 2.023 53.957 52.037 -0.172 0.000 0.638 57 A CB -0.679 18.226 19.000 -0.158 0.000 0.823 57 A HN 0.675 nan 8.150 nan 0.000 0.451 58 E N -0.271 119.857 120.200 -0.121 0.000 2.499 58 E HA 0.019 4.371 4.350 0.002 0.000 0.207 58 E C -0.084 176.470 176.600 -0.077 0.000 1.175 58 E CA -0.038 56.310 56.400 -0.087 0.000 0.932 58 E CB -0.563 29.089 29.700 -0.079 0.000 0.906 58 E HN 0.614 nan 8.360 nan 0.000 0.556 65 Q N 0.294 120.092 119.800 -0.004 0.000 2.647 65 Q HA 0.685 5.027 4.340 0.002 0.000 0.400 65 Q C 1.054 177.052 176.000 -0.004 0.000 0.959 65 Q CA 0.595 56.396 55.803 -0.003 0.000 1.079 65 Q CB -0.284 28.456 28.738 0.002 0.000 1.351 65 Q HN 0.969 nan 8.270 nan 0.000 0.411 66 R N 0.374 120.866 120.500 -0.013 0.000 2.328 66 R HA 0.050 4.391 4.340 0.002 0.000 0.200 66 R C 1.267 177.553 176.300 -0.024 0.000 0.983 66 R CA 0.881 56.968 56.100 -0.022 0.000 1.062 66 R CB -0.435 29.843 30.300 -0.037 0.000 0.956 66 R HN 0.651 nan 8.270 nan 0.000 0.479 67 E N 0.172 120.364 120.200 -0.013 0.000 2.274 67 E HA -0.123 4.229 4.350 0.002 0.000 0.194 67 E C 1.795 178.396 176.600 0.001 0.000 0.996 67 E CA 0.699 57.093 56.400 -0.010 0.000 0.840 67 E CB -0.089 29.607 29.700 -0.006 0.000 0.772 67 E HN 0.646 nan 8.360 nan 0.000 0.491 68 R N 0.791 121.297 120.500 0.010 0.000 2.075 68 R HA -0.040 4.302 4.340 0.002 0.000 0.232 68 R C 2.420 178.752 176.300 0.054 0.000 1.126 68 R CA 0.760 56.878 56.100 0.029 0.000 0.963 68 R CB -0.155 30.164 30.300 0.032 0.000 0.858 68 R HN 0.098 nan 8.270 nan 0.000 0.435 69 I N 0.940 121.533 120.570 0.038 0.000 2.151 69 I HA -0.231 3.940 4.170 0.002 0.000 0.243 69 I C -0.829 175.317 176.117 0.049 0.000 1.080 69 I CA 1.403 62.733 61.300 0.050 0.000 1.339 69 I CB -1.030 36.921 38.000 -0.082 0.000 1.039 69 I HN 0.189 nan 8.210 nan 0.000 0.409 70 P HA -0.122 nan 4.420 nan 0.000 0.217 70 P C 1.469 178.820 177.300 0.084 0.000 1.150 70 P CA 1.119 64.219 63.100 0.001 0.000 0.832 70 P CB -0.062 31.623 31.700 -0.026 0.000 0.787 71 R N -0.232 120.310 120.500 0.071 0.000 2.080 71 R HA -0.092 4.249 4.340 0.002 0.000 0.236 71 R C 2.299 178.654 176.300 0.092 0.000 1.137 71 R CA 1.240 57.379 56.100 0.066 0.000 0.943 71 R CB -1.932 28.394 30.300 0.043 0.000 0.846 71 R HN 0.172 nan 8.270 nan 0.000 0.431 72 V N 0.338 120.331 119.914 0.131 0.000 2.343 72 V HA -0.261 3.860 4.120 0.002 0.000 0.247 72 V C 1.851 177.999 176.094 0.090 0.000 1.051 72 V CA 1.682 64.043 62.300 0.102 0.000 1.036 72 V CB -0.514 31.376 31.823 0.113 0.000 0.654 72 V HN 0.207 nan 8.190 nan 0.000 0.451 73 Y N 1.652 121.956 120.300 0.008 0.000 2.224 73 Y HA -0.196 4.355 4.550 0.002 0.000 0.289 73 Y C 2.811 178.714 175.900 0.005 0.000 1.146 73 Y CA 2.084 60.190 58.100 0.010 0.000 1.182 73 Y CB -0.723 37.745 38.460 0.014 0.000 0.983 73 Y HN 0.593 nan 8.280 nan 0.000 0.524 74 Q N 0.401 120.288 119.800 0.145 0.000 2.079 74 Q HA -0.137 4.204 4.340 0.002 0.000 0.200 74 Q C 2.188 178.211 176.000 0.037 0.000 0.974 74 Q CA 1.922 57.769 55.803 0.073 0.000 0.840 74 Q CB -0.531 28.237 28.738 0.050 0.000 0.898 74 Q HN 0.365 nan 8.270 nan 0.000 0.430 75 K N 1.346 121.765 120.400 0.032 0.000 2.439 75 K HA -0.001 4.321 4.320 0.002 0.000 0.197 75 K C 2.003 178.609 176.600 0.011 0.000 1.041 75 K CA 1.178 57.474 56.287 0.016 0.000 0.970 75 K CB -0.700 31.807 32.500 0.012 0.000 0.773 75 K HN 0.610 nan 8.250 nan 0.000 0.479 76 S N 0.247 115.939 115.700 -0.014 0.000 2.399 76 S HA -0.188 4.283 4.470 0.002 0.000 0.231 76 S C 1.161 175.777 174.600 0.026 0.000 1.022 76 S CA 0.905 59.080 58.200 -0.041 0.000 0.983 76 S CB -0.335 62.788 63.200 -0.129 0.000 0.803 76 S HN 0.644 nan 8.310 nan 0.000 0.480 77 R N 0.039 120.560 120.500 0.035 0.000 3.651 77 R HA -0.097 4.245 4.340 0.002 0.000 0.292 77 R C -1.023 175.317 176.300 0.067 0.000 1.161 77 R CA 0.986 57.121 56.100 0.058 0.000 0.787 77 R CB -2.531 27.848 30.300 0.133 0.000 1.249 77 R HN 0.553 nan 8.270 nan 0.000 0.476 78 I N -0.572 120.015 120.570 0.027 0.000 2.406 78 I HA 0.162 4.334 4.170 0.002 0.000 0.290 78 I C 1.352 177.474 176.117 0.007 0.000 0.999 78 I CA -0.454 60.853 61.300 0.012 0.000 1.124 78 I CB 2.022 40.011 38.000 -0.018 0.000 1.289 78 I HN -0.051 nan 8.210 nan 0.000 0.441 79 T N 2.474 117.023 114.554 -0.010 0.000 3.033 79 T HA 0.088 4.439 4.350 0.002 0.000 0.248 79 T C 0.530 175.219 174.700 -0.019 0.000 1.040 79 T CA 0.762 62.854 62.100 -0.013 0.000 1.133 79 T CB 0.242 69.091 68.868 -0.031 0.000 0.895 79 T HN 0.804 nan 8.240 nan 0.000 0.465 80 T N 0.793 115.316 114.554 -0.051 0.000 2.821 80 T HA 0.723 5.074 4.350 0.002 0.000 0.306 80 T C -1.700 172.965 174.700 -0.058 0.000 1.313 80 T CA -1.330 60.740 62.100 -0.050 0.000 1.012 80 T CB 2.580 71.396 68.868 -0.087 0.000 1.298 80 T HN 0.430 nan 8.240 nan 0.000 0.502 81 R N -0.235 120.264 120.500 -0.002 0.000 2.629 81 R HA 0.703 5.044 4.340 0.002 0.000 0.266 81 R C -1.367 174.987 176.300 0.090 0.000 1.051 81 R CA -1.293 54.838 56.100 0.053 0.000 0.895 81 R CB 1.182 31.526 30.300 0.073 0.000 1.246 81 R HN 0.410 nan 8.270 nan 0.000 0.459 82 R N 1.981 122.567 120.500 0.143 0.000 2.459 82 R HA 0.485 4.826 4.340 0.002 0.000 0.281 82 R C -0.349 176.008 176.300 0.094 0.000 1.050 82 R CA -0.554 55.622 56.100 0.125 0.000 1.055 82 R CB 0.773 31.174 30.300 0.169 0.000 1.045 82 R HN 0.704 nan 8.270 nan 0.000 0.495 83 M N 0.983 120.621 119.600 0.062 0.000 2.213 83 M HA 0.282 4.763 4.480 0.002 0.000 0.286 83 M C 0.621 176.907 176.300 -0.023 0.000 1.008 83 M CA -0.500 54.813 55.300 0.022 0.000 0.937 83 M CB 2.405 35.018 32.600 0.023 0.000 1.600 83 M HN 0.763 nan 8.290 nan 0.000 0.450 84 A N 3.105 125.882 122.820 -0.071 0.000 2.024 84 A HA 0.115 4.436 4.320 0.002 0.000 0.220 84 A C 0.601 178.045 177.584 -0.233 0.000 1.164 84 A CA 1.251 53.215 52.037 -0.121 0.000 0.643 84 A CB 0.043 18.895 19.000 -0.248 0.000 0.806 84 A HN 0.546 nan 8.150 nan 0.000 0.451 85 V N -0.710 119.039 119.914 -0.275 0.000 3.078 85 V HA 0.349 4.470 4.120 0.002 0.000 0.311 85 V C -1.457 174.480 176.094 -0.262 0.000 1.138 85 V CA -0.861 61.251 62.300 -0.312 0.000 1.007 85 V CB 2.091 33.597 31.823 -0.529 0.000 1.045 85 V HN 0.262 nan 8.190 nan 0.000 0.432 86 D N 3.845 124.112 120.400 -0.222 0.000 2.485 86 D HA 0.352 4.994 4.640 0.002 0.000 0.221 86 D C -1.303 174.875 176.300 -0.204 0.000 1.112 86 D CA -2.132 51.796 54.000 -0.121 0.000 0.911 86 D CB 1.655 42.443 40.800 -0.020 0.000 1.019 86 D HN 0.233 nan 8.370 nan 0.000 0.516 87 P HA -0.122 nan 4.420 nan 0.000 0.226 87 P C 1.171 178.698 177.300 0.379 0.000 1.146 87 P CA 0.663 63.681 63.100 -0.137 0.000 0.773 87 P CB 0.456 32.236 31.700 0.133 0.000 0.772 88 L N -1.223 120.136 121.223 0.228 0.000 2.585 88 L HA 0.181 4.522 4.340 0.002 0.000 0.226 88 L C 1.255 178.215 176.870 0.151 0.000 1.113 88 L CA -0.252 54.693 54.840 0.174 0.000 0.876 88 L CB -0.488 41.599 42.059 0.048 0.000 1.072 88 L HN -0.048 nan 8.230 nan 0.000 0.468 89 D N 0.967 121.462 120.400 0.158 0.000 2.478 89 D HA -0.056 4.585 4.640 0.002 0.000 0.234 89 D C 1.167 177.566 176.300 0.166 0.000 1.154 89 D CA 0.735 54.818 54.000 0.138 0.000 0.874 89 D CB 1.644 42.525 40.800 0.134 0.000 1.198 89 D HN 0.125 nan 8.370 nan 0.000 0.455 90 A N 5.099 127.988 122.820 0.115 0.000 1.892 90 A HA -0.278 4.043 4.320 0.002 0.000 0.218 90 A C 2.042 179.700 177.584 0.124 0.000 1.188 90 A CA 2.594 54.691 52.037 0.102 0.000 0.631 90 A CB -0.567 18.475 19.000 0.070 0.000 0.822 90 A HN 0.828 nan 8.150 nan 0.000 0.447 91 K N -1.793 118.686 120.400 0.133 0.000 1.977 91 K HA -0.208 4.113 4.320 0.002 0.000 0.218 91 K C 1.906 178.617 176.600 0.184 0.000 1.051 91 K CA 1.835 58.203 56.287 0.134 0.000 0.953 91 K CB -0.859 31.719 32.500 0.129 0.000 0.727 91 K HN 0.263 nan 8.250 nan 0.000 0.445 92 F N 2.814 122.823 119.950 0.099 0.000 2.091 92 F HA -0.248 4.280 4.527 0.002 0.000 0.299 92 F C 2.130 178.058 175.800 0.213 0.000 1.103 92 F CA 2.204 60.305 58.000 0.167 0.000 1.228 92 F CB -0.560 38.531 39.000 0.151 0.000 0.984 92 F HN 0.231 nan 8.300 nan 0.000 0.477 93 D N -0.346 120.252 120.400 0.331 0.000 2.191 93 D HA -0.199 4.442 4.640 0.002 0.000 0.195 93 D C 2.138 178.507 176.300 0.115 0.000 1.003 93 D CA 1.628 55.763 54.000 0.225 0.000 0.867 93 D CB -0.163 40.737 40.800 0.168 0.000 0.926 93 D HN 0.195 nan 8.370 nan 0.000 0.450 94 V N -0.133 119.836 119.914 0.092 0.000 2.346 94 V HA -0.138 3.983 4.120 0.002 0.000 0.244 94 V C 2.111 178.220 176.094 0.024 0.000 1.037 94 V CA 1.451 63.785 62.300 0.057 0.000 1.029 94 V CB -0.729 31.133 31.823 0.065 0.000 0.663 94 V HN 0.212 nan 8.190 nan 0.000 0.454 95 F N 2.853 122.702 119.950 -0.168 0.000 2.134 95 F HA -0.217 4.312 4.527 0.002 0.000 0.299 95 F C 2.435 178.056 175.800 -0.299 0.000 1.097 95 F CA 1.989 59.833 58.000 -0.261 0.000 1.264 95 F CB -0.206 38.545 39.000 -0.416 0.000 1.001 95 F HN 0.181 nan 8.300 nan 0.000 0.479 96 R N 0.137 120.403 120.500 -0.390 0.000 2.235 96 R HA 0.047 4.388 4.340 0.002 0.000 0.213 96 R C 1.750 177.945 176.300 -0.176 0.000 1.059 96 R CA 1.023 56.922 56.100 -0.336 0.000 0.997 96 R CB -1.035 29.278 30.300 0.023 0.000 0.884 96 R HN 0.217 nan 8.270 nan 0.000 0.462 97 R N 0.842 121.274 120.500 -0.113 0.000 2.276 97 R HA 0.129 4.470 4.340 0.002 0.000 0.196 97 R C -0.075 176.172 176.300 -0.090 0.000 0.961 97 R CA 0.220 56.289 56.100 -0.052 0.000 1.024 97 R CB 0.154 30.451 30.300 -0.004 0.000 0.940 97 R HN 0.448 nan 8.270 nan 0.000 0.480 98 E N 1.650 121.740 120.200 -0.184 0.000 2.374 98 E HA 0.147 4.498 4.350 0.002 0.000 0.260 98 E C -2.186 174.316 176.600 -0.163 0.000 1.101 98 E CA -1.696 54.602 56.400 -0.169 0.000 0.907 98 E CB 0.734 30.300 29.700 -0.223 0.000 1.014 98 E HN 0.018 nan 8.360 nan 0.000 0.427 99 P HA 0.175 nan 4.420 nan 0.000 0.283 99 P C -1.061 176.310 177.300 0.119 0.000 1.278 99 P CA -0.298 62.892 63.100 0.151 0.000 0.834 99 P CB 1.013 32.823 31.700 0.184 0.000 1.150 100 A N 0.637 123.676 122.820 0.364 0.000 2.466 100 A HA -0.120 4.202 4.320 0.002 0.000 0.295 100 A C 0.795 178.386 177.584 0.013 0.000 1.465 100 A CA 1.364 53.495 52.037 0.157 0.000 0.744 100 A CB -2.794 16.275 19.000 0.115 0.000 1.098 100 A HN 0.711 nan 8.150 nan 0.000 0.402 101 T N -2.727 111.770 114.554 -0.095 0.000 3.091 101 T HA 0.363 4.714 4.350 0.002 0.000 0.277 101 T C 1.360 176.070 174.700 0.018 0.000 0.996 101 T CA 0.558 62.607 62.100 -0.086 0.000 0.897 101 T CB -0.472 68.117 68.868 -0.465 0.000 1.109 101 T HN 0.982 nan 8.240 nan 0.000 0.534 102 I N 1.314 121.878 120.570 -0.010 0.000 2.113 102 I HA -0.107 4.064 4.170 0.002 0.000 0.242 102 I C 2.502 178.635 176.117 0.027 0.000 1.064 102 I CA 1.228 62.531 61.300 0.005 0.000 1.320 102 I CB -1.294 36.708 38.000 0.003 0.000 1.028 102 I HN 0.097 nan 8.210 nan 0.000 0.406 103 R N 1.459 121.979 120.500 0.034 0.000 2.115 103 R HA -0.206 4.135 4.340 0.002 0.000 0.239 103 R C 1.987 178.316 176.300 0.048 0.000 1.133 103 R CA 2.234 58.330 56.100 -0.007 0.000 0.935 103 R CB -1.095 29.241 30.300 0.059 0.000 0.853 103 R HN 0.530 nan 8.270 nan 0.000 0.433 104 D N -0.372 120.166 120.400 0.230 0.000 2.123 104 D HA -0.168 4.473 4.640 0.002 0.000 0.196 104 D C 2.093 178.556 176.300 0.272 0.000 0.992 104 D CA 1.328 55.520 54.000 0.320 0.000 0.833 104 D CB -0.206 40.798 40.800 0.339 0.000 0.954 104 D HN 0.268 nan 8.370 nan 0.000 0.455 105 R N -0.175 120.492 120.500 0.278 0.000 2.081 105 R HA -0.056 4.285 4.340 0.002 0.000 0.235 105 R C 2.387 178.774 176.300 0.146 0.000 1.131 105 R CA 1.011 57.253 56.100 0.237 0.000 0.960 105 R CB -0.112 30.292 30.300 0.173 0.000 0.856 105 R HN 0.161 nan 8.270 nan 0.000 0.436 106 M N -0.181 119.440 119.600 0.035 0.000 2.159 106 M HA -0.141 4.340 4.480 0.002 0.000 0.263 106 M C 1.969 178.331 176.300 0.103 0.000 1.063 106 M CA 1.648 56.935 55.300 -0.021 0.000 1.110 106 M CB -0.990 31.518 32.600 -0.153 0.000 1.374 106 M HN 0.215 nan 8.290 nan 0.000 0.411 107 H N 0.207 119.375 119.070 0.164 0.000 2.321 107 H HA -0.009 4.548 4.556 0.002 0.000 0.300 107 H C 2.353 177.824 175.328 0.238 0.000 1.087 107 H CA 1.261 57.417 56.048 0.180 0.000 1.319 107 H CB -0.533 29.296 29.762 0.113 0.000 1.379 107 H HN 0.327 nan 8.280 nan 0.000 0.501 108 L N -0.152 121.267 121.223 0.326 0.000 2.043 108 L HA -0.231 4.111 4.340 0.002 0.000 0.212 108 L C 2.535 179.596 176.870 0.318 0.000 1.075 108 L CA 1.186 56.203 54.840 0.294 0.000 0.752 108 L CB -0.506 41.687 42.059 0.222 0.000 0.891 108 L HN 0.131 nan 8.230 nan 0.000 0.432 109 F N -0.198 119.834 119.950 0.136 0.000 2.043 109 F HA -0.361 4.167 4.527 0.002 0.000 0.297 109 F C 2.547 178.439 175.800 0.153 0.000 1.121 109 F CA 1.947 60.000 58.000 0.088 0.000 1.199 109 F CB -0.685 38.323 39.000 0.013 0.000 0.968 109 F HN 0.011 nan 8.300 nan 0.000 0.478 110 Y N 1.243 121.648 120.300 0.175 0.000 2.128 110 Y HA -0.276 4.275 4.550 0.002 0.000 0.284 110 Y C 2.631 178.522 175.900 -0.015 0.000 1.154 110 Y CA 2.352 60.491 58.100 0.065 0.000 1.149 110 Y CB -0.865 37.697 38.460 0.171 0.000 0.976 110 Y HN 0.342 nan 8.280 nan 0.000 0.505 111 E N -1.372 118.884 120.200 0.094 0.000 2.118 111 E HA -0.278 4.073 4.350 0.002 0.000 0.195 111 E C 1.603 178.059 176.600 -0.240 0.000 0.992 111 E CA 1.908 58.270 56.400 -0.063 0.000 0.804 111 E CB -0.124 29.596 29.700 0.034 0.000 0.741 111 E HN 0.681 nan 8.360 nan 0.000 0.458 112 H N -1.116 117.841 119.070 -0.187 0.000 2.476 112 H HA 0.242 4.799 4.556 0.002 0.000 0.292 112 H C 1.757 176.901 175.328 -0.306 0.000 1.019 112 H CA 0.866 56.790 56.048 -0.206 0.000 1.330 112 H CB -0.081 29.587 29.762 -0.155 0.000 1.451 112 H HN 0.210 nan 8.280 nan 0.000 0.535 113 A N 0.768 123.367 122.820 -0.369 0.000 1.873 113 A HA -0.190 4.131 4.320 0.002 0.000 0.218 113 A C 2.442 179.818 177.584 -0.346 0.000 1.193 113 A CA 2.026 53.754 52.037 -0.515 0.000 0.629 113 A CB -1.085 17.299 19.000 -1.027 0.000 0.826 113 A HN 0.204 nan 8.150 nan 0.000 0.447 114 V N 0.666 120.333 119.914 -0.413 0.000 2.220 114 V HA -0.247 3.875 4.120 0.002 0.000 0.250 114 V C 0.157 176.113 176.094 -0.230 0.000 1.056 114 V CA 2.841 64.924 62.300 -0.362 0.000 1.016 114 V CB -1.845 29.646 31.823 -0.553 0.000 0.639 114 V HN 0.387 nan 8.190 nan 0.000 0.446 115 P HA -0.210 nan 4.420 nan 0.000 0.213 115 P C 1.907 179.140 177.300 -0.111 0.000 1.176 115 P CA 1.574 64.585 63.100 -0.147 0.000 0.919 115 P CB -0.191 31.420 31.700 -0.149 0.000 0.791 116 L N -0.367 120.792 121.223 -0.107 0.000 1.990 116 L HA -0.192 4.150 4.340 0.002 0.000 0.213 116 L C 2.275 179.103 176.870 -0.071 0.000 1.072 116 L CA 2.446 57.242 54.840 -0.073 0.000 0.755 116 L CB -1.655 40.366 42.059 -0.063 0.000 0.889 116 L HN -0.085 nan 8.230 nan 0.000 0.432 117 A N -1.424 121.341 122.820 -0.091 0.000 1.978 117 A HA -0.144 4.178 4.320 0.002 0.000 0.220 117 A C 2.246 179.795 177.584 -0.058 0.000 1.170 117 A CA 1.980 53.976 52.037 -0.069 0.000 0.636 117 A CB -1.041 17.914 19.000 -0.075 0.000 0.810 117 A HN 0.358 nan 8.150 nan 0.000 0.448 118 V N 0.239 120.110 119.914 -0.071 0.000 2.283 118 V HA -0.233 3.888 4.120 0.002 0.000 0.243 118 V C 2.339 178.405 176.094 -0.047 0.000 1.039 118 V CA 2.380 64.646 62.300 -0.057 0.000 1.016 118 V CB -0.802 30.982 31.823 -0.066 0.000 0.650 118 V HN 0.723 nan 8.190 nan 0.000 0.449 119 D N 0.071 120.441 120.400 -0.050 0.000 2.149 119 D HA -0.161 4.480 4.640 0.002 0.000 0.198 119 D C 1.910 178.186 176.300 -0.041 0.000 0.990 119 D CA 1.457 55.432 54.000 -0.042 0.000 0.839 119 D CB -0.037 40.739 40.800 -0.040 0.000 0.948 119 D HN 0.229 nan 8.370 nan 0.000 0.460 120 V N -0.181 119.707 119.914 -0.045 0.000 2.515 120 V HA -0.157 3.965 4.120 0.002 0.000 0.250 120 V C 2.505 178.572 176.094 -0.045 0.000 1.058 120 V CA 1.650 63.920 62.300 -0.051 0.000 1.064 120 V CB -0.450 31.342 31.823 -0.052 0.000 0.675 120 V HN 0.193 nan 8.190 nan 0.000 0.461 121 S N -0.334 115.344 115.700 -0.036 0.000 2.355 121 S HA -0.179 4.292 4.470 0.002 0.000 0.222 121 S C 2.008 176.596 174.600 -0.021 0.000 1.031 121 S CA 1.335 59.519 58.200 -0.027 0.000 0.993 121 S CB -0.253 62.933 63.200 -0.023 0.000 0.859 121 S HN 0.542 nan 8.310 nan 0.000 0.453 122 K N 0.984 121.370 120.400 -0.023 0.000 2.074 122 K HA -0.051 4.270 4.320 0.002 0.000 0.209 122 K C 2.373 178.960 176.600 -0.021 0.000 1.048 122 K CA 1.156 57.432 56.287 -0.019 0.000 0.926 122 K CB -0.127 32.359 32.500 -0.022 0.000 0.713 122 K HN 0.216 nan 8.250 nan 0.000 0.444 123 R N -0.185 120.297 120.500 -0.030 0.000 2.148 123 R HA -0.038 4.304 4.340 0.002 0.000 0.227 123 R C 2.231 178.510 176.300 -0.036 0.000 1.103 123 R CA 1.002 57.081 56.100 -0.036 0.000 0.983 123 R CB -0.148 30.125 30.300 -0.046 0.000 0.874 123 R HN 0.172 nan 8.270 nan 0.000 0.451 124 A N 0.788 123.588 122.820 -0.033 0.000 1.968 124 A HA -0.025 4.297 4.320 0.002 0.000 0.217 124 A C 2.031 179.614 177.584 -0.000 0.000 1.169 124 A CA 0.849 52.870 52.037 -0.027 0.000 0.638 124 A CB -0.134 18.849 19.000 -0.029 0.000 0.812 124 A HN 0.152 nan 8.150 nan 0.000 0.446 125 L N -1.293 119.935 121.223 0.008 0.000 2.249 125 L HA 0.032 4.374 4.340 0.002 0.000 0.207 125 L C 2.970 179.843 176.870 0.004 0.000 1.090 125 L CA 0.621 55.481 54.840 0.033 0.000 0.802 125 L CB -0.450 41.633 42.059 0.041 0.000 0.947 125 L HN 0.378 nan 8.230 nan 0.000 0.453 126 A N 0.805 123.618 122.820 -0.012 0.000 1.929 126 A HA -0.294 4.028 4.320 0.002 0.000 0.221 126 A C 2.271 179.832 177.584 -0.039 0.000 1.211 126 A CA 2.313 54.335 52.037 -0.024 0.000 0.657 126 A CB -1.429 17.555 19.000 -0.026 0.000 0.827 126 A HN 0.470 nan 8.150 nan 0.000 0.462 127 G N -1.739 107.037 108.800 -0.040 0.000 2.534 127 G HA2 0.297 4.258 3.960 0.002 0.000 0.217 127 G HA3 0.297 4.258 3.960 0.002 0.000 0.217 127 G C 0.502 175.346 174.900 -0.093 0.000 1.128 127 G CA 0.256 45.323 45.100 -0.055 0.000 0.784 127 G HN 0.308 nan 8.290 nan 0.000 0.542 128 L N 0.574 121.729 121.223 -0.112 0.000 2.360 128 L HA 0.362 4.703 4.340 0.002 0.000 0.271 128 L C -1.663 175.003 176.870 -0.340 0.000 1.057 128 L CA -2.183 52.489 54.840 -0.280 0.000 0.803 128 L CB 1.101 43.001 42.059 -0.265 0.000 1.207 128 L HN -0.092 nan 8.230 nan 0.000 0.445 129 P HA 0.137 nan 4.420 nan 0.000 0.243 129 P C -0.868 176.252 177.300 -0.299 0.000 1.672 129 P CA -0.145 62.749 63.100 -0.343 0.000 1.000 129 P CB -0.016 31.515 31.700 -0.281 0.000 1.562 130 Y N 0.386 120.685 120.300 -0.001 0.000 2.299 130 Y HA 0.476 5.029 4.550 0.004 0.000 0.326 130 Y C 1.327 177.228 175.900 0.001 0.000 1.164 130 Y CA -0.947 57.154 58.100 0.003 0.000 1.234 130 Y CB 0.576 39.039 38.460 0.006 0.000 1.219 130 Y HN -0.136 nan 8.280 nan 0.000 0.497 131 R N 1.143 121.748 120.500 0.175 0.000 2.500 131 R HA 0.573 4.915 4.340 0.002 0.000 0.277 131 R C 1.003 177.353 176.300 0.083 0.000 1.026 131 R CA 0.275 56.430 56.100 0.092 0.000 1.058 131 R CB 0.838 31.177 30.300 0.066 0.000 1.078 131 R HN 0.838 nan 8.270 nan 0.000 0.509 132 A N 3.275 126.127 122.820 0.052 0.000 2.042 132 A HA -0.238 4.083 4.320 0.002 0.000 0.222 132 A C 1.865 179.465 177.584 0.026 0.000 1.167 132 A CA 2.258 54.316 52.037 0.035 0.000 0.649 132 A CB -0.973 18.040 19.000 0.021 0.000 0.809 132 A HN 0.799 nan 8.150 nan 0.000 0.457 133 A N -0.509 122.329 122.820 0.029 0.000 2.066 133 A HA -0.053 4.268 4.320 0.002 0.000 0.218 133 A C 1.761 179.357 177.584 0.019 0.000 1.157 133 A CA 1.263 53.312 52.037 0.021 0.000 0.670 133 A CB -0.324 18.688 19.000 0.021 0.000 0.804 133 A HN 0.668 nan 8.150 nan 0.000 0.453 134 E N -0.485 119.731 120.200 0.027 0.000 2.435 134 E HA 0.092 4.443 4.350 0.002 0.000 0.195 134 E C -0.347 176.235 176.600 -0.030 0.000 1.029 134 E CA 0.028 56.426 56.400 -0.002 0.000 0.865 134 E CB 0.019 29.720 29.700 0.000 0.000 0.833 134 E HN 0.634 nan 8.360 nan 0.000 0.510 135 I N 1.216 121.779 120.570 -0.012 0.000 2.281 135 I HA 0.128 4.299 4.170 0.002 0.000 0.293 135 I C 1.104 177.213 176.117 -0.014 0.000 1.085 135 I CA -0.220 61.069 61.300 -0.019 0.000 1.257 135 I CB 1.245 39.235 38.000 -0.017 0.000 1.430 135 I HN -0.017 nan 8.210 nan 0.000 0.489 136 G N 6.535 115.350 108.800 0.025 0.000 3.159 136 G HA2 0.319 4.281 3.960 0.002 0.000 0.232 136 G HA3 0.319 4.281 3.960 0.002 0.000 0.232 136 G C -0.145 174.547 174.900 -0.346 0.000 1.116 136 G CA 0.149 45.238 45.100 -0.018 0.000 0.767 136 G HN 0.407 nan 8.290 nan 0.000 0.547 137 L N 0.266 121.215 121.223 -0.457 0.000 2.493 137 L HA 0.755 5.097 4.340 0.002 0.000 0.265 137 L C -2.022 174.675 176.870 -0.289 0.000 0.954 137 L CA -1.117 53.368 54.840 -0.592 0.000 0.844 137 L CB 2.402 43.719 42.059 -1.237 0.000 1.302 137 L HN -0.096 nan 8.230 nan 0.000 0.405 138 L N 6.101 127.203 121.223 -0.201 0.000 2.343 138 L HA 0.779 5.120 4.340 0.002 0.000 0.278 138 L C -1.483 175.336 176.870 -0.085 0.000 0.996 138 L CA -0.342 54.431 54.840 -0.110 0.000 0.831 138 L CB 1.871 43.887 42.059 -0.072 0.000 1.232 138 L HN 0.399 nan 8.230 nan 0.000 0.413 139 V N 6.011 125.889 119.914 -0.061 0.000 2.398 139 V HA 0.507 4.628 4.120 0.002 0.000 0.286 139 V C -0.534 175.556 176.094 -0.006 0.000 1.026 139 V CA -0.632 61.648 62.300 -0.033 0.000 0.868 139 V CB 1.637 33.442 31.823 -0.029 0.000 0.982 139 V HN 0.639 nan 8.190 nan 0.000 0.443 140 L N 4.967 126.198 121.223 0.014 0.000 2.349 140 L HA 0.880 5.221 4.340 0.002 0.000 0.278 140 L C -0.176 176.729 176.870 0.058 0.000 0.996 140 L CA -0.227 54.637 54.840 0.041 0.000 0.825 140 L CB 1.293 43.387 42.059 0.058 0.000 1.243 140 L HN 0.781 nan 8.230 nan 0.000 0.412 141 A N 3.797 126.656 122.820 0.065 0.000 2.342 141 A HA 0.934 5.255 4.320 0.002 0.000 0.323 141 A C -0.558 177.089 177.584 0.104 0.000 1.125 141 A CA -0.272 51.810 52.037 0.075 0.000 0.785 141 A CB 1.432 20.463 19.000 0.051 0.000 1.221 141 A HN 0.780 nan 8.150 nan 0.000 0.463 142 T N 0.255 114.879 114.554 0.118 0.000 2.749 142 T HA 0.534 4.885 4.350 0.002 0.000 0.310 142 T C 0.097 174.880 174.700 0.138 0.000 1.496 142 T CA -0.241 61.927 62.100 0.112 0.000 1.006 142 T CB 1.699 70.629 68.868 0.104 0.000 1.457 142 T HN 0.520 nan 8.240 nan 0.000 0.497 143 S N 0.059 115.807 115.700 0.080 0.000 2.904 143 S HA 0.137 4.608 4.470 0.002 0.000 0.260 143 S C 1.124 175.728 174.600 0.007 0.000 1.000 143 S CA 0.162 58.511 58.200 0.249 0.000 1.274 143 S CB 0.502 63.814 63.200 0.186 0.000 1.196 143 S HN 0.935 nan 8.310 nan 0.000 0.678 144 T N -1.011 113.370 114.554 -0.289 0.000 3.145 144 T HA 0.563 4.914 4.350 0.002 0.000 0.281 144 T C 0.442 174.544 174.700 -0.997 0.000 1.003 144 T CA 0.073 61.919 62.100 -0.423 0.000 0.901 144 T CB 0.981 69.781 68.868 -0.113 0.000 1.112 144 T HN 0.323 nan 8.240 nan 0.000 0.535 145 G N 0.799 108.654 108.800 -1.575 0.000 2.755 145 G HA2 0.546 4.508 3.960 0.002 0.000 0.297 145 G HA3 0.546 4.508 3.960 0.002 0.000 0.297 145 G C -1.959 172.147 174.900 -1.323 0.000 1.441 145 G CA -0.767 43.182 45.100 -1.919 0.000 0.964 145 G HN 0.124 nan 8.290 nan 0.000 0.540 146 F N 1.650 121.357 119.950 -0.406 0.000 2.612 146 F HA 0.680 5.208 4.527 0.002 0.000 0.332 146 F C -0.355 175.352 175.800 -0.155 0.000 1.167 146 F CA -1.394 56.457 58.000 -0.247 0.000 0.970 146 F CB 1.730 40.572 39.000 -0.263 0.000 1.234 146 F HN 0.487 nan 8.300 nan 0.000 0.453 147 I N 0.685 121.307 120.570 0.087 0.000 2.918 147 I HA 0.971 5.143 4.170 0.002 0.000 0.301 147 I C -0.985 175.141 176.117 0.015 0.000 1.312 147 I CA -1.864 59.445 61.300 0.015 0.000 1.007 147 I CB 1.810 39.810 38.000 0.000 0.000 1.281 147 I HN 0.568 nan 8.210 nan 0.000 0.440 148 A N 2.937 125.736 122.820 -0.034 0.000 2.465 148 A HA 0.905 5.226 4.320 0.002 0.000 0.292 148 A C -2.804 174.747 177.584 -0.055 0.000 1.041 148 A CA -1.150 50.870 52.037 -0.028 0.000 0.718 148 A CB 0.129 19.119 19.000 -0.017 0.000 1.266 148 A HN 0.709 nan 8.150 nan 0.000 0.403 149 P HA 0.483 nan 4.420 nan 0.000 0.268 149 P C 0.603 177.884 177.300 -0.032 0.000 1.205 149 P CA 0.320 63.404 63.100 -0.027 0.000 0.771 149 P CB 1.024 32.714 31.700 -0.016 0.000 0.858 150 G N -0.097 108.757 108.800 0.090 0.000 3.119 150 G HA2 0.290 4.251 3.960 0.002 0.000 0.206 150 G HA3 0.290 4.251 3.960 0.002 0.000 0.206 150 G C 0.820 175.950 174.900 0.383 0.000 1.313 150 G CA -0.615 44.630 45.100 0.241 0.000 1.010 150 G HN 0.276 nan 8.290 nan 0.000 0.578 151 V N 1.830 121.952 119.914 0.347 0.000 2.392 151 V HA -0.166 3.955 4.120 0.002 0.000 0.249 151 V C 2.822 178.984 176.094 0.114 0.000 1.059 151 V CA 2.616 65.022 62.300 0.177 0.000 1.051 151 V CB -0.662 31.229 31.823 0.113 0.000 0.658 151 V HN 0.860 nan 8.190 nan 0.000 0.455 152 D N 0.411 120.879 120.400 0.113 0.000 2.104 152 D HA -0.181 4.460 4.640 0.002 0.000 0.194 152 D C 2.030 178.364 176.300 0.057 0.000 0.994 152 D CA 1.884 55.922 54.000 0.065 0.000 0.830 152 D CB -0.750 40.081 40.800 0.052 0.000 0.959 152 D HN 0.355 nan 8.370 nan 0.000 0.452 153 V N 1.613 121.575 119.914 0.081 0.000 2.358 153 V HA -0.156 3.965 4.120 0.002 0.000 0.246 153 V C 2.981 179.120 176.094 0.075 0.000 1.047 153 V CA 1.755 64.096 62.300 0.069 0.000 1.035 153 V CB -0.950 30.917 31.823 0.073 0.000 0.658 153 V HN 0.411 nan 8.190 nan 0.000 0.452 154 A N -0.137 122.751 122.820 0.114 0.000 1.933 154 A HA -0.169 4.152 4.320 0.002 0.000 0.218 154 A C 2.182 179.778 177.584 0.019 0.000 1.175 154 A CA 1.820 53.904 52.037 0.077 0.000 0.628 154 A CB -0.494 18.534 19.000 0.046 0.000 0.814 154 A HN 0.517 nan 8.150 nan 0.000 0.444 155 I N -0.670 119.909 120.570 0.014 0.000 2.163 155 I HA -0.205 3.967 4.170 0.002 0.000 0.240 155 I C 2.388 178.504 176.117 -0.001 0.000 1.081 155 I CA 1.165 62.462 61.300 -0.004 0.000 1.353 155 I CB -0.487 37.511 38.000 -0.004 0.000 1.054 155 I HN 0.155 nan 8.210 nan 0.000 0.407 156 V N 1.195 121.113 119.914 0.005 0.000 2.252 156 V HA -0.358 3.764 4.120 0.002 0.000 0.249 156 V C 2.467 178.563 176.094 0.003 0.000 1.056 156 V CA 2.061 64.362 62.300 0.001 0.000 1.022 156 V CB -0.814 31.009 31.823 0.001 0.000 0.641 156 V HN 0.396 nan 8.190 nan 0.000 0.445 157 K N -0.448 119.958 120.400 0.010 0.000 2.002 157 K HA -0.246 4.075 4.320 0.002 0.000 0.209 157 K C 2.258 178.859 176.600 0.003 0.000 1.048 157 K CA 1.866 58.159 56.287 0.010 0.000 0.930 157 K CB -0.282 32.230 32.500 0.019 0.000 0.714 157 K HN 0.349 nan 8.250 nan 0.000 0.438 158 E N 0.798 120.998 120.200 -0.001 0.000 2.070 158 E HA -0.165 4.186 4.350 0.002 0.000 0.197 158 E C 1.556 178.149 176.600 -0.011 0.000 1.004 158 E CA 1.175 57.569 56.400 -0.010 0.000 0.805 158 E CB -0.007 29.679 29.700 -0.023 0.000 0.744 158 E HN 0.052 nan 8.360 nan 0.000 0.451 159 L N -0.936 120.281 121.223 -0.009 0.000 2.554 159 L HA 0.237 4.579 4.340 0.002 0.000 0.226 159 L C 1.273 178.141 176.870 -0.002 0.000 1.137 159 L CA 1.022 55.858 54.840 -0.007 0.000 0.863 159 L CB -0.199 41.856 42.059 -0.007 0.000 0.985 159 L HN 0.308 nan 8.230 nan 0.000 0.451 160 G N -0.034 108.765 108.800 -0.002 0.000 2.225 160 G HA2 -0.270 3.691 3.960 0.002 0.000 0.264 160 G HA3 -0.270 3.691 3.960 0.002 0.000 0.264 160 G C 0.280 175.181 174.900 0.002 0.000 1.060 160 G CA 0.096 45.196 45.100 0.001 0.000 0.833 160 G HN 0.261 nan 8.290 nan 0.000 0.498 161 L N 0.294 121.517 121.223 -0.001 0.000 2.453 161 L HA 0.464 4.805 4.340 0.002 0.000 0.261 161 L C 1.578 178.445 176.870 -0.005 0.000 1.179 161 L CA -0.095 54.743 54.840 -0.003 0.000 0.813 161 L CB 1.043 43.097 42.059 -0.009 0.000 1.110 161 L HN 0.314 nan 8.230 nan 0.000 0.466 162 S N 1.578 117.275 115.700 -0.006 0.000 2.558 162 S HA 0.042 4.513 4.470 0.002 0.000 0.293 162 S C -1.541 173.052 174.600 -0.011 0.000 1.292 162 S CA -0.922 57.274 58.200 -0.007 0.000 1.063 162 S CB 0.666 63.861 63.200 -0.009 0.000 0.831 162 S HN 0.381 nan 8.310 nan 0.000 0.499 163 P HA -0.031 nan 4.420 nan 0.000 0.222 163 P C 0.829 178.122 177.300 -0.013 0.000 1.147 163 P CA 0.848 63.944 63.100 -0.008 0.000 0.790 163 P CB 0.020 31.717 31.700 -0.005 0.000 0.780 164 S N -2.125 113.566 115.700 -0.016 0.000 2.572 164 S HA 0.173 4.644 4.470 0.002 0.000 0.228 164 S C 0.698 175.278 174.600 -0.034 0.000 0.963 164 S CA -0.447 57.740 58.200 -0.021 0.000 0.939 164 S CB -0.873 62.316 63.200 -0.017 0.000 0.804 164 S HN -0.001 nan 8.310 nan 0.000 0.480 165 I N 2.751 123.296 120.570 -0.041 0.000 2.815 165 I HA -0.000 4.171 4.170 0.002 0.000 0.291 165 I C 0.552 176.618 176.117 -0.086 0.000 1.209 165 I CA 0.088 61.348 61.300 -0.067 0.000 1.431 165 I CB 0.518 38.478 38.000 -0.066 0.000 1.351 165 I HN 0.200 nan 8.210 nan 0.000 0.585 166 S N 6.202 121.819 115.700 -0.137 0.000 2.580 166 S HA 0.409 4.880 4.470 0.002 0.000 0.274 166 S C -0.088 174.428 174.600 -0.140 0.000 1.329 166 S CA -0.483 57.633 58.200 -0.141 0.000 1.036 166 S CB 0.737 63.817 63.200 -0.200 0.000 0.919 166 S HN 0.460 nan 8.310 nan 0.000 0.515 167 R N 1.089 121.533 120.500 -0.093 0.000 2.621 167 R HA 0.619 4.960 4.340 0.002 0.000 0.284 167 R C -1.818 174.451 176.300 -0.052 0.000 0.998 167 R CA -0.613 55.444 56.100 -0.071 0.000 0.895 167 R CB 1.974 32.249 30.300 -0.042 0.000 1.195 167 R HN 0.383 nan 8.270 nan 0.000 0.450 168 V N 3.164 123.051 119.914 -0.045 0.000 2.524 168 V HA 0.293 4.414 4.120 0.002 0.000 0.297 168 V C -0.473 175.616 176.094 -0.008 0.000 1.035 168 V CA -0.874 61.410 62.300 -0.026 0.000 0.867 168 V CB 2.095 33.901 31.823 -0.028 0.000 1.004 168 V HN 0.458 nan 8.190 nan 0.000 0.426 169 V N 5.676 125.591 119.914 0.002 0.000 2.348 169 V HA 0.305 4.426 4.120 0.002 0.000 0.270 169 V C 0.088 176.194 176.094 0.021 0.000 1.037 169 V CA -0.488 61.825 62.300 0.021 0.000 0.872 169 V CB 1.628 33.468 31.823 0.029 0.000 1.002 169 V HN 0.633 nan 8.190 nan 0.000 0.464 170 V N 6.135 126.070 119.914 0.034 0.000 2.339 170 V HA 0.325 4.446 4.120 0.002 0.000 0.261 170 V C 0.350 176.488 176.094 0.073 0.000 1.058 170 V CA -0.455 61.869 62.300 0.040 0.000 0.897 170 V CB 0.263 32.106 31.823 0.034 0.000 1.052 170 V HN 0.794 nan 8.190 nan 0.000 0.480 171 N N 3.202 121.943 118.700 0.068 0.000 2.466 171 N HA 0.454 5.195 4.740 0.002 0.000 0.294 171 N C 0.198 175.845 175.510 0.228 0.000 1.129 171 N CA -0.638 52.490 53.050 0.129 0.000 0.931 171 N CB 1.260 39.741 38.487 -0.011 0.000 1.193 171 N HN 0.465 nan 8.380 nan 0.000 0.500 172 F N 0.099 120.108 119.950 0.099 0.000 3.100 172 F HA -0.214 4.314 4.527 0.002 0.000 0.283 172 F C 1.113 176.928 175.800 0.024 0.000 0.900 172 F CA 0.409 58.451 58.000 0.069 0.000 1.010 172 F CB -1.351 37.672 39.000 0.038 0.000 1.029 172 F HN 0.556 nan 8.300 nan 0.000 0.637 173 M N -0.787 118.905 119.600 0.152 0.000 2.419 173 M HA 0.299 4.780 4.480 0.002 0.000 0.252 173 M C 1.597 177.895 176.300 -0.003 0.000 1.143 173 M CA 0.686 56.017 55.300 0.052 0.000 0.985 173 M CB -0.237 32.388 32.600 0.041 0.000 1.489 173 M HN 0.361 nan 8.290 nan 0.000 0.484 174 G N 0.868 109.659 108.800 -0.014 0.000 2.591 174 G HA2 -0.317 3.645 3.960 0.002 0.000 0.278 174 G HA3 -0.317 3.645 3.960 0.002 0.000 0.278 174 G C 0.602 175.449 174.900 -0.088 0.000 1.293 174 G CA -0.015 45.042 45.100 -0.072 0.000 0.930 174 G HN 0.468 nan 8.290 nan 0.000 0.562 175 C N 0.170 119.388 119.300 -0.137 0.000 2.395 175 C HA 0.081 4.542 4.460 0.002 0.000 0.287 175 C C 3.012 177.821 174.990 -0.303 0.000 1.281 175 C CA 2.011 60.873 59.018 -0.259 0.000 1.818 175 C CB -1.771 25.721 27.740 -0.413 0.000 1.990 175 C HN 1.432 nan 8.230 nan 0.000 0.516 176 A N -0.672 122.037 122.820 -0.184 0.000 2.465 176 A HA 0.608 4.930 4.320 0.002 0.000 0.255 176 A C 1.972 179.507 177.584 -0.082 0.000 1.274 176 A CA 0.792 52.739 52.037 -0.150 0.000 0.920 176 A CB -0.293 18.623 19.000 -0.140 0.000 1.033 176 A HN 0.442 nan 8.150 nan 0.000 0.516 177 A N 0.374 123.164 122.820 -0.050 0.000 1.940 177 A HA 0.062 4.383 4.320 0.002 0.000 0.219 177 A C 2.396 179.969 177.584 -0.018 0.000 1.176 177 A CA 1.969 53.996 52.037 -0.016 0.000 0.631 177 A CB -0.793 18.215 19.000 0.014 0.000 0.814 177 A HN 1.159 nan 8.150 nan 0.000 0.446 178 A N -0.989 121.818 122.820 -0.021 0.000 1.948 178 A HA -0.191 4.130 4.320 0.002 0.000 0.220 178 A C 2.148 179.708 177.584 -0.039 0.000 1.177 178 A CA 2.084 54.109 52.037 -0.020 0.000 0.636 178 A CB -0.456 18.538 19.000 -0.011 0.000 0.815 178 A HN 0.455 nan 8.150 nan 0.000 0.449 179 M N -0.151 119.413 119.600 -0.060 0.000 2.254 179 M HA -0.053 4.428 4.480 0.002 0.000 0.265 179 M C 1.652 177.915 176.300 -0.061 0.000 1.066 179 M CA 0.933 56.184 55.300 -0.081 0.000 1.123 179 M CB -1.411 31.110 32.600 -0.131 0.000 1.388 179 M HN 0.480 nan 8.290 nan 0.000 0.425 180 N N 0.588 119.261 118.700 -0.044 0.000 2.171 180 N HA -0.054 4.687 4.740 0.002 0.000 0.184 180 N C 1.756 177.259 175.510 -0.013 0.000 1.021 180 N CA 1.497 54.532 53.050 -0.024 0.000 0.854 180 N CB -0.032 38.447 38.487 -0.013 0.000 0.994 180 N HN 0.281 nan 8.380 nan 0.000 0.426 181 A N 1.755 124.568 122.820 -0.011 0.000 1.858 181 A HA -0.119 4.203 4.320 0.002 0.000 0.216 181 A C 2.262 179.842 177.584 -0.007 0.000 1.190 181 A CA 1.010 53.044 52.037 -0.005 0.000 0.617 181 A CB -0.861 18.138 19.000 -0.003 0.000 0.827 181 A HN 0.217 nan 8.150 nan 0.000 0.443 182 L N 0.224 121.437 121.223 -0.017 0.000 2.079 182 L HA -0.081 4.260 4.340 0.002 0.000 0.210 182 L C 2.353 179.221 176.870 -0.003 0.000 1.081 182 L CA 2.289 57.119 54.840 -0.016 0.000 0.752 182 L CB -0.906 41.132 42.059 -0.035 0.000 0.896 182 L HN 0.321 nan 8.230 nan 0.000 0.433 183 G N -2.216 106.580 108.800 -0.007 0.000 2.408 183 G HA2 -0.229 3.732 3.960 0.002 0.000 0.217 183 G HA3 -0.229 3.732 3.960 0.002 0.000 0.217 183 G C 1.457 176.372 174.900 0.025 0.000 1.150 183 G CA 1.059 46.163 45.100 0.006 0.000 0.776 183 G HN 0.417 nan 8.290 nan 0.000 0.542 184 T N 1.413 115.981 114.554 0.024 0.000 2.833 184 T HA 0.062 4.413 4.350 0.002 0.000 0.269 184 T C 2.741 177.485 174.700 0.073 0.000 1.054 184 T CA 1.361 63.485 62.100 0.041 0.000 1.135 184 T CB -0.197 68.683 68.868 0.020 0.000 0.869 184 T HN 0.369 nan 8.240 nan 0.000 0.466 185 A N 1.725 124.579 122.820 0.057 0.000 1.898 185 A HA -0.060 4.261 4.320 0.002 0.000 0.214 185 A C 2.630 180.289 177.584 0.125 0.000 1.183 185 A CA 1.907 54.000 52.037 0.092 0.000 0.622 185 A CB -1.107 17.919 19.000 0.044 0.000 0.824 185 A HN 0.600 nan 8.150 nan 0.000 0.444 186 T N -1.429 113.167 114.554 0.070 0.000 2.821 186 T HA -0.156 4.195 4.350 0.002 0.000 0.267 186 T C 1.682 176.411 174.700 0.049 0.000 1.046 186 T CA 1.387 63.518 62.100 0.051 0.000 1.139 186 T CB -0.564 68.322 68.868 0.029 0.000 0.871 186 T HN 0.362 nan 8.240 nan 0.000 0.454 187 N N 0.867 119.604 118.700 0.062 0.000 2.043 187 N HA -0.089 4.652 4.740 0.002 0.000 0.193 187 N C 1.525 177.071 175.510 0.059 0.000 1.037 187 N CA 1.588 54.667 53.050 0.048 0.000 0.851 187 N CB -0.826 37.696 38.487 0.058 0.000 1.027 187 N HN 0.553 nan 8.380 nan 0.000 0.422 188 Y N 2.164 122.481 120.300 0.028 0.000 2.014 188 Y HA -0.221 4.333 4.550 0.007 0.000 0.270 188 Y C 2.406 178.357 175.900 0.085 0.000 1.145 188 Y CA 1.454 59.607 58.100 0.088 0.000 1.106 188 Y CB -0.858 37.650 38.460 0.079 0.000 0.968 188 Y HN -0.173 nan 8.280 nan 0.000 0.484 189 V N 1.290 121.166 119.914 -0.063 0.000 2.636 189 V HA -0.353 3.768 4.120 0.002 0.000 0.258 189 V C 2.482 178.474 176.094 -0.170 0.000 1.092 189 V CA 2.385 64.594 62.300 -0.150 0.000 1.110 189 V CB -0.602 31.228 31.823 0.011 0.000 0.685 189 V HN 0.427 nan 8.190 nan 0.000 0.481 190 R N -1.077 119.343 120.500 -0.134 0.000 2.200 190 R HA 0.097 4.439 4.340 0.002 0.000 0.208 190 R C 2.111 178.282 176.300 -0.214 0.000 1.033 190 R CA 1.011 57.033 56.100 -0.130 0.000 1.000 190 R CB -0.148 30.107 30.300 -0.075 0.000 0.906 190 R HN 0.526 nan 8.270 nan 0.000 0.462 191 A N -0.182 122.432 122.820 -0.343 0.000 2.147 191 A HA 0.017 4.338 4.320 0.002 0.000 0.211 191 A C -0.052 176.976 177.584 -0.928 0.000 1.160 191 A CA 0.580 52.271 52.037 -0.576 0.000 0.781 191 A CB 0.094 18.719 19.000 -0.624 0.000 0.842 191 A HN 0.313 nan 8.150 nan 0.000 0.475 192 H N -1.698 117.158 119.070 -0.356 0.000 2.490 192 H HA 0.266 4.818 4.556 -0.007 0.000 0.230 192 H C -2.381 172.767 175.328 -0.300 0.000 1.417 192 H CA -1.400 54.434 56.048 -0.356 0.000 1.449 192 H CB 0.706 30.138 29.762 -0.550 0.000 1.649 192 H HN 0.122 nan 8.280 nan 0.000 0.519 193 P HA -0.244 nan 4.420 nan 0.000 0.217 193 P C 1.442 178.702 177.300 -0.066 0.000 1.151 193 P CA 1.739 64.784 63.100 -0.092 0.000 0.849 193 P CB 0.333 31.990 31.700 -0.071 0.000 0.787 194 A N -2.607 120.185 122.820 -0.047 0.000 2.235 194 A HA 0.036 4.357 4.320 0.002 0.000 0.208 194 A C 1.048 178.605 177.584 -0.045 0.000 1.172 194 A CA 0.869 52.886 52.037 -0.032 0.000 0.786 194 A CB -0.742 18.251 19.000 -0.011 0.000 0.804 194 A HN 0.058 nan 8.150 nan 0.000 0.479 195 M N -0.198 119.368 119.600 -0.057 0.000 2.613 195 M HA 0.489 4.971 4.480 0.002 0.000 0.301 195 M C -0.207 176.072 176.300 -0.034 0.000 1.205 195 M CA -0.369 54.918 55.300 -0.023 0.000 0.950 195 M CB 1.040 33.659 32.600 0.032 0.000 1.585 195 M HN -0.061 nan 8.290 nan 0.000 0.490 196 K N 0.448 120.847 120.400 -0.000 0.000 2.395 196 K HA 0.884 5.206 4.320 0.002 0.000 0.247 196 K C -1.266 175.386 176.600 0.087 0.000 0.973 196 K CA -0.722 55.526 56.287 -0.064 0.000 0.828 196 K CB 2.222 34.530 32.500 -0.320 0.000 1.272 196 K HN 0.754 nan 8.250 nan 0.000 0.439 197 A N 1.345 124.198 122.820 0.055 0.000 2.414 197 A HA 0.659 4.980 4.320 0.002 0.000 0.306 197 A C -1.570 176.003 177.584 -0.020 0.000 1.054 197 A CA -0.677 51.371 52.037 0.018 0.000 0.724 197 A CB 1.150 20.205 19.000 0.091 0.000 1.267 197 A HN 0.491 nan 8.150 nan 0.000 0.418 198 L N 2.948 124.143 121.223 -0.047 0.000 2.305 198 L HA 0.679 5.020 4.340 0.002 0.000 0.284 198 L C -1.063 175.787 176.870 -0.034 0.000 1.013 198 L CA -0.284 54.537 54.840 -0.032 0.000 0.819 198 L CB 1.601 43.642 42.059 -0.030 0.000 1.227 198 L HN 0.406 nan 8.230 nan 0.000 0.417 199 V N 6.078 125.978 119.914 -0.023 0.000 2.370 199 V HA 0.563 4.684 4.120 0.002 0.000 0.283 199 V C -0.402 175.685 176.094 -0.013 0.000 1.023 199 V CA -0.589 61.700 62.300 -0.018 0.000 0.857 199 V CB 1.643 33.456 31.823 -0.017 0.000 0.985 199 V HN 0.528 nan 8.190 nan 0.000 0.443 200 V N 4.065 123.977 119.914 -0.003 0.000 2.487 200 V HA 0.439 4.560 4.120 0.002 0.000 0.298 200 V C -0.332 175.778 176.094 0.027 0.000 1.028 200 V CA -0.450 61.854 62.300 0.006 0.000 0.860 200 V CB 1.820 33.646 31.823 0.006 0.000 0.991 200 V HN 0.958 nan 8.190 nan 0.000 0.427 201 C N 6.471 125.791 119.300 0.033 0.000 2.345 201 C HA 0.776 5.237 4.460 0.002 0.000 0.323 201 C C -0.102 174.929 174.990 0.068 0.000 1.276 201 C CA -0.746 58.305 59.018 0.056 0.000 1.543 201 C CB 0.173 27.945 27.740 0.053 0.000 2.211 201 C HN 0.803 nan 8.230 nan 0.000 0.493 202 I N 1.053 121.684 120.570 0.102 0.000 2.478 202 I HA 0.660 4.831 4.170 0.002 0.000 0.287 202 I C -0.816 175.414 176.117 0.187 0.000 1.042 202 I CA -0.456 60.909 61.300 0.109 0.000 1.067 202 I CB 1.586 39.631 38.000 0.075 0.000 1.233 202 I HN 0.373 nan 8.210 nan 0.000 0.431 203 E N 5.227 125.511 120.200 0.141 0.000 2.241 203 E HA 0.633 4.984 4.350 0.002 0.000 0.263 203 E C -1.478 175.214 176.600 0.153 0.000 0.882 203 E CA -0.433 56.057 56.400 0.151 0.000 0.769 203 E CB 2.003 31.735 29.700 0.055 0.000 1.185 203 E HN 0.542 nan 8.360 nan 0.000 0.415 204 L N 5.278 126.648 121.223 0.246 0.000 2.529 204 L HA 0.305 4.646 4.340 0.002 0.000 0.246 204 L C 0.140 177.085 176.870 0.125 0.000 1.394 204 L CA -0.204 54.735 54.840 0.165 0.000 0.906 204 L CB 0.087 42.232 42.059 0.143 0.000 1.170 204 L HN 0.650 nan 8.230 nan 0.000 0.501 205 F N 1.265 121.203 119.950 -0.020 0.000 2.161 205 F HA -0.261 4.268 4.527 0.002 0.000 0.300 205 F C 2.472 178.236 175.800 -0.061 0.000 1.089 205 F CA 1.968 59.929 58.000 -0.064 0.000 1.282 205 F CB 0.213 39.178 39.000 -0.059 0.000 1.010 205 F HN 0.529 nan 8.300 nan 0.000 0.485 206 S N -0.514 115.131 115.700 -0.091 0.000 2.400 206 S HA -0.251 4.220 4.470 0.002 0.000 0.234 206 S C 2.059 176.475 174.600 -0.307 0.000 1.049 206 S CA 1.584 59.664 58.200 -0.200 0.000 1.039 206 S CB -1.562 61.561 63.200 -0.127 0.000 0.856 206 S HN 0.231 nan 8.310 nan 0.000 0.465 207 V N 2.449 122.233 119.914 -0.217 0.000 2.913 207 V HA -0.069 4.053 4.120 0.002 0.000 0.260 207 V C 1.445 177.510 176.094 -0.049 0.000 1.098 207 V CA 1.911 64.165 62.300 -0.077 0.000 1.121 207 V CB -1.021 30.818 31.823 0.027 0.000 0.714 207 V HN 0.585 nan 8.190 nan 0.000 0.487 208 N N -0.125 118.365 118.700 -0.351 0.000 2.236 208 N HA 0.300 5.042 4.740 0.002 0.000 0.196 208 N C 0.509 175.730 175.510 -0.482 0.000 1.114 208 N CA 0.442 53.248 53.050 -0.407 0.000 0.859 208 N CB 0.231 38.386 38.487 -0.552 0.000 0.982 208 N HN 0.382 nan 8.380 nan 0.000 0.493 209 A N 0.276 122.797 122.820 -0.497 0.000 2.566 209 A HA 0.124 4.445 4.320 0.002 0.000 0.245 209 A C 0.982 178.562 177.584 -0.007 0.000 1.056 209 A CA 0.313 52.147 52.037 -0.339 0.000 0.757 209 A CB 0.237 19.055 19.000 -0.303 0.000 0.979 209 A HN 0.115 nan 8.150 nan 0.000 0.508 210 V N 2.321 122.302 119.914 0.113 0.000 3.350 210 V HA 0.141 4.262 4.120 0.002 0.000 0.246 210 V C -0.120 175.999 176.094 0.042 0.000 1.363 210 V CA 0.219 62.555 62.300 0.060 0.000 1.162 210 V CB -0.702 31.148 31.823 0.044 0.000 0.947 210 V HN 0.975 nan 8.190 nan 0.000 0.454 211 F N 0.787 120.632 119.950 -0.174 0.000 2.695 211 F HA -0.137 4.391 4.527 0.002 0.000 0.305 211 F C 0.658 176.361 175.800 -0.162 0.000 1.044 211 F CA 0.252 58.071 58.000 -0.301 0.000 1.049 211 F CB -1.631 37.345 39.000 -0.041 0.000 1.267 211 F HN 0.229 nan 8.300 nan 0.000 0.828 212 A N 0.193 122.976 122.820 -0.062 0.000 2.242 212 A HA 0.584 4.906 4.320 0.002 0.000 0.304 212 A C 1.184 178.783 177.584 0.026 0.000 1.100 212 A CA -0.010 52.036 52.037 0.015 0.000 0.860 212 A CB 0.434 19.448 19.000 0.024 0.000 1.168 212 A HN 0.301 nan 8.150 nan 0.000 0.503 213 D N 0.352 120.774 120.400 0.036 0.000 2.097 213 D HA -0.075 4.567 4.640 0.002 0.000 0.197 213 D C 0.539 176.862 176.300 0.037 0.000 0.984 213 D CA 1.682 55.704 54.000 0.036 0.000 0.826 213 D CB -0.206 40.613 40.800 0.032 0.000 0.973 213 D HN 0.765 nan 8.370 nan 0.000 0.460 214 D N 0.632 121.056 120.400 0.039 0.000 2.443 214 D HA -0.117 4.524 4.640 0.002 0.000 0.234 214 D C 1.167 177.494 176.300 0.044 0.000 1.172 214 D CA -0.134 53.890 54.000 0.041 0.000 0.878 214 D CB 1.071 41.898 40.800 0.046 0.000 1.204 214 D HN -0.002 nan 8.370 nan 0.000 0.453 215 I N 1.567 122.160 120.570 0.038 0.000 2.286 215 I HA -0.267 3.904 4.170 0.002 0.000 0.248 215 I C 2.412 178.552 176.117 0.038 0.000 1.115 215 I CA 0.956 62.278 61.300 0.037 0.000 1.392 215 I CB -1.053 36.962 38.000 0.025 0.000 1.065 215 I HN 0.553 nan 8.210 nan 0.000 0.418 216 N N 0.788 119.511 118.700 0.040 0.000 2.120 216 N HA -0.257 4.484 4.740 0.002 0.000 0.188 216 N C 1.675 177.228 175.510 0.072 0.000 1.024 216 N CA 1.900 54.975 53.050 0.041 0.000 0.852 216 N CB -0.103 38.413 38.487 0.048 0.000 1.003 216 N HN 0.419 nan 8.380 nan 0.000 0.424 217 D N -0.339 120.121 120.400 0.099 0.000 2.144 217 D HA -0.080 4.561 4.640 0.002 0.000 0.199 217 D C 2.065 178.458 176.300 0.155 0.000 0.984 217 D CA 0.790 54.889 54.000 0.164 0.000 0.834 217 D CB 0.274 41.115 40.800 0.068 0.000 0.955 217 D HN 0.049 nan 8.370 nan 0.000 0.465 218 V N -0.214 119.758 119.914 0.097 0.000 2.261 218 V HA -0.232 3.890 4.120 0.002 0.000 0.246 218 V C 2.514 178.669 176.094 0.101 0.000 1.047 218 V CA 1.320 63.704 62.300 0.140 0.000 1.015 218 V CB -0.623 31.275 31.823 0.126 0.000 0.642 218 V HN 0.139 nan 8.190 nan 0.000 0.446 219 V N -0.177 119.746 119.914 0.016 0.000 2.220 219 V HA -0.297 3.825 4.120 0.002 0.000 0.246 219 V C 2.311 178.278 176.094 -0.212 0.000 1.049 219 V CA 2.380 64.623 62.300 -0.096 0.000 1.003 219 V CB -0.676 31.092 31.823 -0.092 0.000 0.634 219 V HN 0.387 nan 8.190 nan 0.000 0.444 220 I N -0.292 120.157 120.570 -0.202 0.000 2.143 220 I HA -0.325 3.847 4.170 0.002 0.000 0.245 220 I C 2.418 178.213 176.117 -0.538 0.000 1.068 220 I CA 1.964 62.990 61.300 -0.458 0.000 1.326 220 I CB -0.731 37.196 38.000 -0.122 0.000 1.028 220 I HN 0.415 nan 8.210 nan 0.000 0.412 221 H N -1.025 117.920 119.070 -0.209 0.000 2.524 221 H HA -0.001 4.557 4.556 0.002 0.000 0.282 221 H C 2.233 177.543 175.328 -0.031 0.000 1.016 221 H CA 1.264 57.303 56.048 -0.015 0.000 1.270 221 H CB 0.087 29.955 29.762 0.176 0.000 1.394 221 H HN 0.439 nan 8.280 nan 0.000 0.568 222 S N -0.231 115.370 115.700 -0.165 0.000 2.548 222 S HA 0.086 4.558 4.470 0.002 0.000 0.215 222 S C 1.810 176.156 174.600 -0.423 0.000 0.976 222 S CA -0.134 57.741 58.200 -0.542 0.000 0.908 222 S CB 0.027 62.563 63.200 -1.106 0.000 0.781 222 S HN 0.239 nan 8.310 nan 0.000 0.519 223 L N -0.775 120.180 121.223 -0.447 0.000 2.445 223 L HA 0.443 4.785 4.340 0.002 0.000 0.207 223 L C -0.155 176.517 176.870 -0.329 0.000 1.053 223 L CA 0.024 54.593 54.840 -0.451 0.000 0.841 223 L CB -0.100 41.574 42.059 -0.642 0.000 1.074 223 L HN 0.222 nan 8.230 nan 0.000 0.479 224 F N 1.016 120.801 119.950 -0.274 0.000 2.443 224 F HA 0.465 4.993 4.527 0.003 0.000 0.353 224 F C 0.988 176.754 175.800 -0.056 0.000 1.101 224 F CA -0.895 56.955 58.000 -0.251 0.000 1.226 224 F CB 0.299 38.928 39.000 -0.618 0.000 1.140 224 F HN -0.189 nan 8.300 nan 0.000 0.557 225 G N 1.430 110.359 108.800 0.216 0.000 2.685 225 G HA2 0.530 4.491 3.960 0.002 0.000 0.298 225 G HA3 0.530 4.491 3.960 0.002 0.000 0.298 225 G C -1.519 173.460 174.900 0.131 0.000 1.277 225 G CA -0.791 44.403 45.100 0.156 0.000 0.986 225 G HN 0.395 nan 8.290 nan 0.000 0.487 226 D N -0.956 119.504 120.400 0.101 0.000 2.217 226 D HA 0.703 5.344 4.640 0.002 0.000 0.248 226 D C 0.460 176.779 176.300 0.032 0.000 1.008 226 D CA 0.347 54.388 54.000 0.068 0.000 0.914 226 D CB 1.776 42.606 40.800 0.050 0.000 1.182 226 D HN 0.781 nan 8.370 nan 0.000 0.451 227 G N -1.122 107.692 108.800 0.023 0.000 2.368 227 G HA2 0.462 4.424 3.960 0.002 0.000 0.293 227 G HA3 0.462 4.424 3.960 0.002 0.000 0.293 227 G C -1.748 173.193 174.900 0.068 0.000 1.467 227 G CA -0.545 44.570 45.100 0.025 0.000 0.804 227 G HN 0.656 nan 8.290 nan 0.000 0.535 228 C N -0.172 119.206 119.300 0.129 0.000 3.086 228 C HA 1.039 5.501 4.460 0.002 0.000 0.311 228 C C -0.300 174.756 174.990 0.110 0.000 1.260 228 C CA 0.691 59.765 59.018 0.093 0.000 1.426 228 C CB 0.773 28.529 27.740 0.026 0.000 1.826 228 C HN 2.258 nan 8.230 nan 0.000 0.474 229 A N 2.437 125.288 122.820 0.052 0.000 2.574 229 A HA 0.972 5.293 4.320 0.002 0.000 0.297 229 A C -0.996 176.571 177.584 -0.028 0.000 1.062 229 A CA 0.232 52.257 52.037 -0.020 0.000 0.686 229 A CB 1.270 20.280 19.000 0.017 0.000 1.285 229 A HN 2.318 nan 8.150 nan 0.000 0.403 230 A N 1.024 123.809 122.820 -0.060 0.000 2.498 230 A HA 0.901 5.223 4.320 0.002 0.000 0.298 230 A C -1.286 176.267 177.584 -0.051 0.000 1.075 230 A CA -0.480 51.531 52.037 -0.043 0.000 0.714 230 A CB 1.151 20.128 19.000 -0.038 0.000 1.299 230 A HN 1.053 nan 8.150 nan 0.000 0.407 231 L N 0.684 121.885 121.223 -0.036 0.000 2.409 231 L HA 0.656 4.997 4.340 0.002 0.000 0.262 231 L C -1.177 175.685 176.870 -0.014 0.000 0.992 231 L CA -1.073 53.747 54.840 -0.033 0.000 0.817 231 L CB 2.374 44.410 42.059 -0.040 0.000 1.350 231 L HN 0.419 nan 8.230 nan 0.000 0.411 232 V N 3.225 123.139 119.914 0.000 0.000 2.376 232 V HA 0.436 4.557 4.120 0.002 0.000 0.287 232 V C -0.372 175.731 176.094 0.015 0.000 1.015 232 V CA -0.316 61.995 62.300 0.019 0.000 0.834 232 V CB 1.667 33.532 31.823 0.071 0.000 1.001 232 V HN 0.397 nan 8.190 nan 0.000 0.428 233 I N 3.864 124.435 120.570 0.001 0.000 2.460 233 I HA 0.862 5.033 4.170 0.002 0.000 0.298 233 I C 0.741 176.848 176.117 -0.016 0.000 0.989 233 I CA 0.203 61.506 61.300 0.004 0.000 1.173 233 I CB 1.896 39.908 38.000 0.020 0.000 1.338 233 I HN 0.688 nan 8.210 nan 0.000 0.456 234 G N 2.824 111.614 108.800 -0.016 0.000 2.690 234 G HA2 0.795 4.756 3.960 0.002 0.000 0.291 234 G HA3 0.795 4.756 3.960 0.002 0.000 0.291 234 G C -1.612 173.276 174.900 -0.020 0.000 1.403 234 G CA -0.670 44.403 45.100 -0.045 0.000 0.864 234 G HN 0.782 nan 8.290 nan 0.000 0.480 235 A N -0.196 122.604 122.820 -0.034 0.000 2.264 235 A HA 0.891 5.212 4.320 0.002 0.000 0.304 235 A C 0.258 177.835 177.584 -0.012 0.000 1.100 235 A CA -0.265 51.755 52.037 -0.027 0.000 0.839 235 A CB 1.457 20.428 19.000 -0.049 0.000 1.121 235 A HN 1.536 nan 8.150 nan 0.000 0.496 236 S N -0.727 114.969 115.700 -0.007 0.000 2.537 236 S HA 0.345 4.816 4.470 0.002 0.000 0.270 236 S C -1.233 173.366 174.600 -0.002 0.000 1.142 236 S CA -0.587 57.614 58.200 0.002 0.000 0.870 236 S CB 1.204 64.412 63.200 0.013 0.000 1.112 236 S HN 0.714 nan 8.310 nan 0.000 0.466 237 Q N 2.454 122.254 119.800 -0.001 0.000 2.289 237 Q HA 0.142 4.483 4.340 0.002 0.000 0.273 237 Q C 1.402 177.401 176.000 -0.002 0.000 1.029 237 Q CA -0.168 55.632 55.803 -0.004 0.000 0.896 237 Q CB 0.891 29.628 28.738 -0.003 0.000 1.182 237 Q HN 0.641 nan 8.270 nan 0.000 0.385 238 V N 3.201 123.112 119.914 -0.005 0.000 2.357 238 V HA -0.395 3.726 4.120 0.002 0.000 0.257 238 V C 1.916 178.009 176.094 -0.003 0.000 1.082 238 V CA 2.195 64.493 62.300 -0.004 0.000 1.078 238 V CB -0.616 31.203 31.823 -0.007 0.000 0.663 238 V HN 0.792 nan 8.190 nan 0.000 0.455 239 Q N -0.042 119.756 119.800 -0.003 0.000 1.890 239 Q HA -0.101 4.240 4.340 0.002 0.000 0.208 239 Q C 1.149 177.149 176.000 0.001 0.000 0.982 239 Q CA 0.864 56.666 55.803 -0.002 0.000 0.856 239 Q CB -0.238 28.498 28.738 -0.002 0.000 0.915 239 Q HN 0.720 nan 8.270 nan 0.000 0.427 240 E N 1.577 121.779 120.200 0.003 0.000 3.699 240 E HA -0.225 4.126 4.350 0.002 0.000 0.324 240 E C -1.036 175.568 176.600 0.007 0.000 0.801 240 E CA 0.587 56.990 56.400 0.006 0.000 1.045 240 E CB 0.347 30.053 29.700 0.010 0.000 1.006 240 E HN 0.071 nan 8.360 nan 0.000 0.519 241 K N 5.095 125.499 120.400 0.007 0.000 2.268 241 K HA 0.237 4.559 4.320 0.002 0.000 0.276 241 K C -0.298 176.308 176.600 0.010 0.000 1.080 241 K CA -0.400 55.892 56.287 0.007 0.000 0.910 241 K CB 0.570 33.073 32.500 0.004 0.000 1.163 241 K HN 0.378 nan 8.250 nan 0.000 0.465 242 L N 3.184 124.414 121.223 0.012 0.000 2.417 242 L HA 0.102 4.444 4.340 0.002 0.000 0.268 242 L C 0.966 177.844 176.870 0.012 0.000 1.158 242 L CA -0.310 54.539 54.840 0.015 0.000 0.819 242 L CB 0.302 42.373 42.059 0.020 0.000 1.112 242 L HN 0.607 nan 8.230 nan 0.000 0.458 243 E N 1.947 122.153 120.200 0.011 0.000 2.349 243 E HA 0.349 4.700 4.350 0.002 0.000 0.265 243 E C -2.509 174.096 176.600 0.008 0.000 1.064 243 E CA -2.151 54.253 56.400 0.007 0.000 0.886 243 E CB -0.018 29.683 29.700 0.002 0.000 1.036 243 E HN 0.266 nan 8.360 nan 0.000 0.413 244 P HA -0.089 nan 4.420 nan 0.000 0.267 244 P C 0.778 178.082 177.300 0.007 0.000 1.195 244 P CA 1.689 64.794 63.100 0.008 0.000 0.773 244 P CB 0.322 32.025 31.700 0.005 0.000 0.837 245 G N 0.325 109.131 108.800 0.010 0.000 2.363 245 G HA2 -0.269 3.692 3.960 0.002 0.000 0.238 245 G HA3 -0.269 3.692 3.960 0.002 0.000 0.238 245 G C 0.141 175.045 174.900 0.006 0.000 1.062 245 G CA 0.174 45.276 45.100 0.004 0.000 0.629 245 G HN 0.553 nan 8.290 nan 0.000 0.514 246 K N 0.846 121.253 120.400 0.012 0.000 2.451 246 K HA 0.496 4.818 4.320 0.002 0.000 0.280 246 K C 0.246 176.860 176.600 0.025 0.000 1.020 246 K CA 0.235 56.532 56.287 0.017 0.000 1.008 246 K CB 1.252 33.765 32.500 0.023 0.000 0.917 246 K HN 0.272 nan 8.250 nan 0.000 0.478 247 V N 4.521 124.445 119.914 0.016 0.000 2.357 247 V HA 0.218 4.339 4.120 0.002 0.000 0.284 247 V C -0.448 175.673 176.094 0.046 0.000 1.018 247 V CA -1.042 61.277 62.300 0.032 0.000 0.841 247 V CB 1.580 33.377 31.823 -0.043 0.000 0.991 247 V HN 0.401 nan 8.190 nan 0.000 0.437 248 V N 6.063 126.026 119.914 0.082 0.000 2.408 248 V HA 0.177 4.298 4.120 0.002 0.000 0.267 248 V C 0.335 176.494 176.094 0.109 0.000 1.047 248 V CA -0.399 61.945 62.300 0.073 0.000 0.937 248 V CB 1.558 33.415 31.823 0.058 0.000 0.999 248 V HN 0.642 nan 8.190 nan 0.000 0.472 249 V N 7.664 127.626 119.914 0.079 0.000 2.352 249 V HA 0.162 4.283 4.120 0.002 0.000 0.253 249 V C 1.507 177.651 176.094 0.084 0.000 1.083 249 V CA 0.074 62.431 62.300 0.095 0.000 0.993 249 V CB -0.302 31.551 31.823 0.050 0.000 1.111 249 V HN 0.811 nan 8.190 nan 0.000 0.490 250 R N 2.000 122.559 120.500 0.099 0.000 2.075 250 R HA 0.044 4.385 4.340 0.002 0.000 0.232 250 R C 0.867 177.210 176.300 0.070 0.000 1.126 250 R CA 1.119 57.259 56.100 0.065 0.000 0.963 250 R CB 0.113 30.439 30.300 0.044 0.000 0.858 250 R HN 0.606 nan 8.270 nan 0.000 0.435 251 S N -0.498 115.265 115.700 0.105 0.000 2.543 251 S HA 0.301 4.772 4.470 0.002 0.000 0.274 251 S C -1.392 173.309 174.600 0.167 0.000 1.149 251 S CA -0.822 57.453 58.200 0.124 0.000 0.866 251 S CB 1.619 64.898 63.200 0.130 0.000 1.111 251 S HN 0.225 nan 8.310 nan 0.000 0.457 252 S N 2.446 118.230 115.700 0.140 0.000 2.600 252 S HA 0.977 5.449 4.470 0.002 0.000 0.300 252 S C -0.840 173.857 174.600 0.161 0.000 1.087 252 S CA -0.728 57.509 58.200 0.062 0.000 0.965 252 S CB 1.279 64.472 63.200 -0.012 0.000 1.089 252 S HN 1.231 nan 8.310 nan 0.000 0.496 253 F N -1.731 118.250 119.950 0.052 0.000 2.686 253 F HA 0.899 5.427 4.527 0.002 0.000 0.311 253 F C -0.877 174.942 175.800 0.030 0.000 1.128 253 F CA -0.885 57.139 58.000 0.041 0.000 0.946 253 F CB 1.224 40.251 39.000 0.045 0.000 1.336 253 F HN 0.594 nan 8.300 nan 0.000 0.457 254 S N 0.845 116.694 115.700 0.249 0.000 2.564 254 S HA 0.717 5.189 4.470 0.002 0.000 0.274 254 S C -1.742 172.960 174.600 0.169 0.000 1.124 254 S CA -0.729 57.556 58.200 0.140 0.000 0.869 254 S CB 2.103 65.340 63.200 0.061 0.000 1.105 254 S HN 0.626 nan 8.310 nan 0.000 0.472 255 Q N 1.884 121.758 119.800 0.124 0.000 2.371 255 Q HA 0.296 4.637 4.340 0.002 0.000 0.244 255 Q C -1.754 174.279 176.000 0.056 0.000 0.882 255 Q CA -0.120 55.736 55.803 0.088 0.000 0.866 255 Q CB 1.873 30.669 28.738 0.097 0.000 1.399 255 Q HN 0.744 nan 8.270 nan 0.000 0.432 256 L N 4.734 125.974 121.223 0.029 0.000 2.278 256 L HA 0.412 4.753 4.340 0.002 0.000 0.287 256 L C -0.490 176.371 176.870 -0.015 0.000 1.072 256 L CA -0.376 54.467 54.840 0.005 0.000 0.819 256 L CB 0.456 42.513 42.059 -0.003 0.000 1.176 256 L HN 0.551 nan 8.230 nan 0.000 0.435 257 L N 4.789 125.990 121.223 -0.037 0.000 2.319 257 L HA 0.206 4.547 4.340 0.002 0.000 0.280 257 L C 0.281 177.085 176.870 -0.111 0.000 1.099 257 L CA -0.690 54.108 54.840 -0.072 0.000 0.828 257 L CB 0.595 42.595 42.059 -0.098 0.000 1.150 257 L HN 0.525 nan 8.230 nan 0.000 0.442 258 D N 3.920 124.270 120.400 -0.084 0.000 2.472 258 D HA -0.084 4.557 4.640 0.002 0.000 0.237 258 D C 0.273 176.499 176.300 -0.122 0.000 1.141 258 D CA 0.443 54.395 54.000 -0.080 0.000 0.875 258 D CB 0.327 41.098 40.800 -0.048 0.000 1.192 258 D HN 0.492 nan 8.370 nan 0.000 0.450 259 N N 1.613 120.250 118.700 -0.105 0.000 2.652 259 N HA -0.190 4.551 4.740 0.002 0.000 0.281 259 N C 0.526 175.881 175.510 -0.259 0.000 1.084 259 N CA 1.060 54.044 53.050 -0.111 0.000 0.775 259 N CB -0.831 37.631 38.487 -0.042 0.000 0.923 259 N HN 0.629 nan 8.380 nan 0.000 0.558 260 T N -4.732 109.602 114.554 -0.366 0.000 3.191 260 T HA 0.110 4.462 4.350 0.002 0.000 0.285 260 T C 1.100 175.581 174.700 -0.363 0.000 0.887 260 T CA -0.218 61.404 62.100 -0.797 0.000 0.881 260 T CB 0.388 68.640 68.868 -1.027 0.000 1.217 260 T HN 0.172 nan 8.240 nan 0.000 0.591 261 E N 2.300 122.396 120.200 -0.172 0.000 2.200 261 E HA -0.300 4.051 4.350 0.002 0.000 0.211 261 E C 1.696 178.286 176.600 -0.017 0.000 1.048 261 E CA 2.051 58.408 56.400 -0.073 0.000 0.851 261 E CB -0.175 29.501 29.700 -0.041 0.000 0.747 261 E HN 0.812 nan 8.360 nan 0.000 0.462 262 D N -0.587 119.829 120.400 0.028 0.000 2.310 262 D HA -0.109 4.532 4.640 0.002 0.000 0.212 262 D C 1.872 178.251 176.300 0.131 0.000 0.965 262 D CA 1.050 55.100 54.000 0.083 0.000 0.879 262 D CB -0.613 40.255 40.800 0.113 0.000 0.921 262 D HN 0.210 nan 8.370 nan 0.000 0.510 263 G N 1.338 110.258 108.800 0.199 0.000 2.672 263 G HA2 -0.196 3.765 3.960 0.002 0.000 0.218 263 G HA3 -0.196 3.765 3.960 0.002 0.000 0.218 263 G C 0.975 175.952 174.900 0.129 0.000 1.238 263 G CA 0.912 46.172 45.100 0.266 0.000 0.791 263 G HN 0.403 nan 8.290 nan 0.000 0.606 264 I N -0.075 120.539 120.570 0.074 0.000 2.466 264 I HA 0.455 4.626 4.170 0.002 0.000 0.289 264 I C -1.171 174.946 176.117 -0.001 0.000 1.026 264 I CA -0.679 60.647 61.300 0.042 0.000 1.078 264 I CB 2.741 40.767 38.000 0.043 0.000 1.249 264 I HN -0.157 nan 8.210 nan 0.000 0.429 265 V N 7.244 127.151 119.914 -0.013 0.000 2.525 265 V HA 0.460 4.581 4.120 0.002 0.000 0.299 265 V C -0.282 175.754 176.094 -0.098 0.000 1.034 265 V CA -0.465 61.807 62.300 -0.046 0.000 0.863 265 V CB 2.081 33.903 31.823 -0.003 0.000 0.999 265 V HN 0.480 nan 8.190 nan 0.000 0.423 266 L N 4.223 125.303 121.223 -0.239 0.000 2.325 266 L HA 0.994 5.335 4.340 0.002 0.000 0.278 266 L C 0.633 177.367 176.870 -0.227 0.000 1.023 266 L CA -0.143 54.435 54.840 -0.438 0.000 0.811 266 L CB 1.862 43.206 42.059 -1.192 0.000 1.249 266 L HN 0.775 nan 8.230 nan 0.000 0.431 267 G N 1.197 110.028 108.800 0.051 0.000 2.684 267 G HA2 0.615 4.577 3.960 0.002 0.000 0.290 267 G HA3 0.615 4.577 3.960 0.002 0.000 0.290 267 G C -1.852 173.276 174.900 0.381 0.000 1.425 267 G CA -0.459 44.803 45.100 0.270 0.000 0.822 267 G HN 0.242 nan 8.290 nan 0.000 0.482 268 V N 2.099 122.196 119.914 0.304 0.000 2.326 268 V HA 0.403 4.524 4.120 0.002 0.000 0.281 268 V C -0.651 175.536 176.094 0.155 0.000 1.015 268 V CA -1.190 61.252 62.300 0.237 0.000 0.823 268 V CB 0.927 32.872 31.823 0.204 0.000 1.009 268 V HN 0.623 nan 8.190 nan 0.000 0.436 269 N N 2.724 121.500 118.700 0.126 0.000 2.482 269 N HA 0.252 4.993 4.740 0.002 0.000 0.279 269 N C 1.309 176.867 175.510 0.081 0.000 1.182 269 N CA -0.578 52.548 53.050 0.126 0.000 0.969 269 N CB 0.881 39.432 38.487 0.108 0.000 1.201 269 N HN 0.832 nan 8.380 nan 0.000 0.523 270 H N 0.479 119.561 119.070 0.021 0.000 2.489 270 H HA -0.091 4.466 4.556 0.002 0.000 0.295 270 H C 0.002 175.316 175.328 -0.023 0.000 1.082 270 H CA 1.246 57.294 56.048 0.001 0.000 1.295 270 H CB -0.160 29.598 29.762 -0.006 0.000 1.380 270 H HN 0.542 nan 8.280 nan 0.000 0.548 271 N N 0.343 118.655 118.700 -0.647 0.000 2.351 271 N HA 0.305 5.047 4.740 0.002 0.000 0.254 271 N C 0.284 175.637 175.510 -0.261 0.000 1.241 271 N CA 0.316 53.060 53.050 -0.510 0.000 0.883 271 N CB 1.022 39.087 38.487 -0.702 0.000 1.202 271 N HN 0.585 nan 8.380 nan 0.000 0.512 272 G N 0.104 108.813 108.800 -0.152 0.000 2.351 272 G HA2 0.135 4.096 3.960 0.002 0.000 0.353 272 G HA3 0.135 4.096 3.960 0.002 0.000 0.353 272 G C -1.716 173.172 174.900 -0.020 0.000 1.358 272 G CA -1.035 44.009 45.100 -0.093 0.000 0.995 272 G HN 0.120 nan 8.290 nan 0.000 0.611 273 I N 1.163 121.721 120.570 -0.021 0.000 2.499 273 I HA 0.630 4.801 4.170 0.002 0.000 0.296 273 I C 0.903 177.111 176.117 0.151 0.000 0.992 273 I CA -0.318 61.035 61.300 0.089 0.000 1.297 273 I CB 1.949 39.975 38.000 0.043 0.000 1.410 273 I HN 0.834 nan 8.210 nan 0.000 0.507 274 T N 1.452 116.125 114.554 0.198 0.000 2.865 274 T HA 0.463 4.814 4.350 0.002 0.000 0.294 274 T C -1.036 173.750 174.700 0.143 0.000 1.119 274 T CA -0.766 61.470 62.100 0.227 0.000 1.007 274 T CB 1.801 70.790 68.868 0.201 0.000 1.225 274 T HN 0.653 nan 8.240 nan 0.000 0.515 275 C N 0.642 120.039 119.300 0.161 0.000 2.498 275 C HA 0.705 5.166 4.460 0.002 0.000 0.316 275 C C -0.824 174.230 174.990 0.105 0.000 1.209 275 C CA -0.293 58.783 59.018 0.096 0.000 1.518 275 C CB 0.528 28.373 27.740 0.175 0.000 2.147 275 C HN 1.025 nan 8.230 nan 0.000 0.483 276 E N 4.871 125.108 120.200 0.062 0.000 2.593 276 E HA 0.332 4.683 4.350 0.002 0.000 0.232 276 E C -0.911 175.718 176.600 0.048 0.000 1.026 276 E CA -0.102 56.334 56.400 0.059 0.000 0.772 276 E CB 0.929 30.660 29.700 0.052 0.000 1.310 276 E HN 0.632 nan 8.360 nan 0.000 0.413 277 L N 1.703 122.953 121.223 0.046 0.000 2.380 277 L HA 0.200 4.542 4.340 0.002 0.000 0.273 277 L C 0.748 177.634 176.870 0.026 0.000 1.138 277 L CA -0.094 54.769 54.840 0.038 0.000 0.832 277 L CB 1.019 43.090 42.059 0.020 0.000 1.124 277 L HN 0.325 nan 8.230 nan 0.000 0.454 278 S N 1.489 117.210 115.700 0.035 0.000 2.632 278 S HA 0.098 4.569 4.470 0.002 0.000 0.271 278 S C 1.128 175.704 174.600 -0.039 0.000 1.260 278 S CA -0.737 57.474 58.200 0.019 0.000 1.010 278 S CB 1.064 64.307 63.200 0.072 0.000 0.965 278 S HN 0.733 nan 8.310 nan 0.000 0.534 279 E N 3.055 123.221 120.200 -0.056 0.000 2.338 279 E HA -0.146 4.205 4.350 0.002 0.000 0.197 279 E C 0.632 177.129 176.600 -0.171 0.000 1.007 279 E CA 1.175 57.521 56.400 -0.089 0.000 0.849 279 E CB -0.767 28.894 29.700 -0.065 0.000 0.774 279 E HN 0.737 nan 8.360 nan 0.000 0.506 280 N N 0.729 119.273 118.700 -0.261 0.000 2.398 280 N HA 0.118 4.859 4.740 0.002 0.000 0.188 280 N C 1.667 176.631 175.510 -0.910 0.000 1.122 280 N CA -0.006 52.694 53.050 -0.584 0.000 0.866 280 N CB 0.156 38.196 38.487 -0.745 0.000 0.970 280 N HN 0.072 nan 8.380 nan 0.000 0.462 281 L N 1.519 122.490 121.223 -0.421 0.000 1.970 281 L HA -0.085 4.256 4.340 0.002 0.000 0.212 281 L C -0.603 176.155 176.870 -0.186 0.000 1.071 281 L CA 1.708 56.436 54.840 -0.188 0.000 0.751 281 L CB -1.033 41.008 42.059 -0.029 0.000 0.889 281 L HN 0.160 nan 8.230 nan 0.000 0.432 282 P HA -0.177 nan 4.420 nan 0.000 0.216 282 P C 1.473 178.726 177.300 -0.078 0.000 1.150 282 P CA 2.155 65.189 63.100 -0.109 0.000 0.843 282 P CB -0.318 31.330 31.700 -0.086 0.000 0.787 283 G N -1.062 107.649 108.800 -0.149 0.000 2.418 283 G HA2 -0.259 3.702 3.960 0.002 0.000 0.217 283 G HA3 -0.259 3.702 3.960 0.002 0.000 0.217 283 G C 1.402 176.331 174.900 0.048 0.000 1.158 283 G CA 0.480 45.542 45.100 -0.063 0.000 0.771 283 G HN 0.136 nan 8.290 nan 0.000 0.545 284 Y N 0.831 121.119 120.300 -0.020 0.000 2.128 284 Y HA -0.054 4.498 4.550 0.003 0.000 0.284 284 Y C 2.789 178.630 175.900 -0.098 0.000 1.154 284 Y CA 0.275 58.345 58.100 -0.050 0.000 1.149 284 Y CB -0.832 37.582 38.460 -0.076 0.000 0.976 284 Y HN 0.135 nan 8.280 nan 0.000 0.505 285 I N -1.262 119.292 120.570 -0.026 0.000 2.163 285 I HA -0.360 3.811 4.170 0.002 0.000 0.243 285 I C 2.350 178.447 176.117 -0.034 0.000 1.085 285 I CA 1.686 62.852 61.300 -0.222 0.000 1.347 285 I CB -0.558 37.206 38.000 -0.393 0.000 1.044 285 I HN 0.122 nan 8.210 nan 0.000 0.408 286 F N 2.118 122.022 119.950 -0.077 0.000 2.095 286 F HA -0.275 4.254 4.527 0.003 0.000 0.298 286 F C 2.604 178.391 175.800 -0.022 0.000 1.104 286 F CA 1.970 59.947 58.000 -0.039 0.000 1.232 286 F CB -0.335 38.642 39.000 -0.038 0.000 0.987 286 F HN 0.089 nan 8.300 nan 0.000 0.475 287 S N -1.140 114.503 115.700 -0.096 0.000 2.575 287 S HA 0.300 4.771 4.470 0.002 0.000 0.215 287 S C 1.796 176.321 174.600 -0.126 0.000 0.966 287 S CA 0.122 58.205 58.200 -0.194 0.000 0.911 287 S CB -0.058 63.146 63.200 0.006 0.000 0.780 287 S HN 0.427 nan 8.310 nan 0.000 0.514 288 G N 1.423 110.173 108.800 -0.084 0.000 2.641 288 G HA2 0.127 4.088 3.960 0.002 0.000 0.207 288 G HA3 0.127 4.088 3.960 0.002 0.000 0.207 288 G C 1.171 176.032 174.900 -0.066 0.000 1.137 288 G CA 0.428 45.498 45.100 -0.049 0.000 0.824 288 G HN 0.348 nan 8.290 nan 0.000 0.547 289 V N 2.195 122.063 119.914 -0.077 0.000 2.214 289 V HA -0.188 3.934 4.120 0.002 0.000 0.245 289 V C 3.359 179.349 176.094 -0.173 0.000 1.047 289 V CA 2.404 64.620 62.300 -0.139 0.000 0.998 289 V CB -1.190 30.563 31.823 -0.118 0.000 0.633 289 V HN 0.433 nan 8.190 nan 0.000 0.446 290 A N 1.248 123.963 122.820 -0.174 0.000 1.881 290 A HA -0.226 4.095 4.320 0.002 0.000 0.219 290 A C 0.835 178.341 177.584 -0.130 0.000 1.215 290 A CA 2.745 54.689 52.037 -0.154 0.000 0.648 290 A CB -2.303 16.575 19.000 -0.203 0.000 0.832 290 A HN 0.606 nan 8.150 nan 0.000 0.455 291 P HA -0.112 nan 4.420 nan 0.000 0.216 291 P C 1.640 178.870 177.300 -0.117 0.000 1.150 291 P CA 1.772 64.803 63.100 -0.115 0.000 0.837 291 P CB -0.299 31.337 31.700 -0.105 0.000 0.786 292 V N 0.479 120.316 119.914 -0.129 0.000 2.221 292 V HA -0.188 3.934 4.120 0.002 0.000 0.242 292 V C 2.846 178.779 176.094 -0.268 0.000 1.041 292 V CA 1.726 63.924 62.300 -0.170 0.000 0.995 292 V CB -1.449 30.296 31.823 -0.131 0.000 0.635 292 V HN -0.096 nan 8.190 nan 0.000 0.448 293 V N 0.459 120.213 119.914 -0.268 0.000 2.277 293 V HA -0.382 3.739 4.120 0.002 0.000 0.253 293 V C 2.613 178.645 176.094 -0.103 0.000 1.067 293 V CA 2.915 65.090 62.300 -0.210 0.000 1.047 293 V CB -1.309 30.529 31.823 0.024 0.000 0.649 293 V HN 0.690 nan 8.190 nan 0.000 0.447 294 T N -0.824 113.698 114.554 -0.054 0.000 2.684 294 T HA -0.222 4.129 4.350 0.002 0.000 0.267 294 T C 1.792 176.503 174.700 0.019 0.000 1.036 294 T CA 1.797 63.897 62.100 0.000 0.000 1.148 294 T CB -0.267 68.586 68.868 -0.025 0.000 0.863 294 T HN 0.620 nan 8.240 nan 0.000 0.436 295 E N 0.675 120.849 120.200 -0.043 0.000 2.028 295 E HA -0.104 4.248 4.350 0.002 0.000 0.191 295 E C 2.308 178.944 176.600 0.060 0.000 0.988 295 E CA 0.850 57.253 56.400 0.005 0.000 0.799 295 E CB -0.266 29.399 29.700 -0.058 0.000 0.755 295 E HN 0.284 nan 8.360 nan 0.000 0.447 296 M N 1.229 120.769 119.600 -0.100 0.000 2.089 296 M HA -0.222 4.259 4.480 0.002 0.000 0.257 296 M C 2.149 178.431 176.300 -0.031 0.000 1.071 296 M CA 1.626 56.840 55.300 -0.144 0.000 1.096 296 M CB -0.583 31.704 32.600 -0.522 0.000 1.330 296 M HN 0.133 nan 8.290 nan 0.000 0.403 297 L N -1.656 119.560 121.223 -0.011 0.000 2.017 297 L HA -0.249 4.092 4.340 0.002 0.000 0.208 297 L C 2.385 179.303 176.870 0.079 0.000 1.073 297 L CA 1.737 56.597 54.840 0.034 0.000 0.745 297 L CB -1.006 41.092 42.059 0.065 0.000 0.894 297 L HN 0.502 nan 8.230 nan 0.000 0.432 298 W N 1.560 122.834 121.300 -0.043 0.000 2.350 298 W HA -0.235 4.426 4.660 0.002 0.000 0.289 298 W C 1.982 178.484 176.519 -0.029 0.000 1.215 298 W CA 1.534 58.860 57.345 -0.031 0.000 1.236 298 W CB -0.057 29.384 29.460 -0.033 0.000 1.130 298 W HN 0.160 nan 8.180 nan 0.000 0.541 299 D N -0.651 119.833 120.400 0.140 0.000 2.363 299 D HA -0.085 4.556 4.640 0.002 0.000 0.220 299 D C 0.512 176.747 176.300 -0.109 0.000 0.994 299 D CA 0.974 54.972 54.000 -0.003 0.000 0.890 299 D CB -0.262 40.603 40.800 0.108 0.000 0.906 299 D HN 0.351 nan 8.370 nan 0.000 0.530 300 N N -0.946 117.693 118.700 -0.102 0.000 2.238 300 N HA 0.231 4.973 4.740 0.002 0.000 0.235 300 N C 0.644 176.075 175.510 -0.132 0.000 1.209 300 N CA 0.130 53.121 53.050 -0.097 0.000 0.879 300 N CB 1.452 39.910 38.487 -0.047 0.000 1.136 300 N HN -0.023 nan 8.380 nan 0.000 0.517 301 G N 0.803 109.473 108.800 -0.217 0.000 2.249 301 G HA2 -0.267 3.694 3.960 0.002 0.000 0.273 301 G HA3 -0.267 3.694 3.960 0.002 0.000 0.273 301 G C -0.289 174.542 174.900 -0.115 0.000 1.036 301 G CA 0.440 45.415 45.100 -0.209 0.000 0.824 301 G HN 0.248 nan 8.290 nan 0.000 0.504 302 L N -1.696 119.484 121.223 -0.071 0.000 2.283 302 L HA 0.761 5.102 4.340 0.002 0.000 0.259 302 L C 0.280 177.175 176.870 0.042 0.000 1.027 302 L CA -1.111 53.717 54.840 -0.020 0.000 0.828 302 L CB 2.062 44.102 42.059 -0.033 0.000 1.380 302 L HN 0.193 nan 8.230 nan 0.000 0.425 303 Q N -0.186 119.650 119.800 0.060 0.000 2.451 303 Q HA 0.448 4.789 4.340 0.002 0.000 0.281 303 Q C 0.682 176.770 176.000 0.146 0.000 1.099 303 Q CA -0.751 55.114 55.803 0.104 0.000 0.806 303 Q CB 3.011 31.804 28.738 0.093 0.000 1.419 303 Q HN 0.534 nan 8.270 nan 0.000 0.427 304 I N 0.354 121.044 120.570 0.200 0.000 2.248 304 I HA -0.325 3.846 4.170 0.002 0.000 0.248 304 I C 1.902 178.219 176.117 0.333 0.000 1.107 304 I CA 1.770 63.279 61.300 0.348 0.000 1.373 304 I CB -0.295 37.844 38.000 0.231 0.000 1.055 304 I HN 0.619 nan 8.210 nan 0.000 0.418 305 S N -0.516 115.298 115.700 0.190 0.000 2.595 305 S HA -0.095 4.376 4.470 0.002 0.000 0.235 305 S C 1.201 175.874 174.600 0.122 0.000 0.974 305 S CA 0.727 59.017 58.200 0.151 0.000 0.942 305 S CB -0.260 62.999 63.200 0.098 0.000 0.766 305 S HN 0.420 nan 8.310 nan 0.000 0.536 306 D N 0.958 121.420 120.400 0.102 0.000 2.338 306 D HA 0.213 4.854 4.640 0.002 0.000 0.208 306 D C 0.497 176.786 176.300 -0.018 0.000 0.997 306 D CA 0.015 54.035 54.000 0.034 0.000 0.880 306 D CB 0.040 40.843 40.800 0.004 0.000 0.980 306 D HN 0.339 nan 8.370 nan 0.000 0.509 307 I N 2.337 122.886 120.570 -0.035 0.000 2.710 307 I HA -0.055 4.117 4.170 0.002 0.000 0.286 307 I C 1.225 177.236 176.117 -0.176 0.000 1.181 307 I CA 0.389 61.526 61.300 -0.271 0.000 1.430 307 I CB 0.532 38.084 38.000 -0.747 0.000 1.367 307 I HN -0.126 nan 8.210 nan 0.000 0.577 308 D N 4.901 125.154 120.400 -0.245 0.000 2.323 308 D HA 0.160 4.801 4.640 0.002 0.000 0.218 308 D C 0.449 176.686 176.300 -0.106 0.000 0.973 308 D CA 0.930 54.864 54.000 -0.109 0.000 0.890 308 D CB 0.526 41.274 40.800 -0.087 0.000 1.011 308 D HN 0.314 nan 8.370 nan 0.000 0.499 309 L N -0.438 120.616 121.223 -0.283 0.000 2.346 309 L HA 0.459 4.800 4.340 0.002 0.000 0.274 309 L C -1.271 175.375 176.870 -0.374 0.000 1.007 309 L CA -0.850 53.892 54.840 -0.162 0.000 0.818 309 L CB 2.191 44.232 42.059 -0.029 0.000 1.284 309 L HN -0.151 nan 8.230 nan 0.000 0.424 310 W N 1.796 123.121 121.300 0.042 0.000 2.517 310 W HA 0.581 5.243 4.660 0.003 0.000 0.301 310 W C -0.198 176.302 176.519 -0.033 0.000 1.002 310 W CA -0.498 56.851 57.345 0.007 0.000 1.415 310 W CB 1.720 31.187 29.460 0.011 0.000 1.275 310 W HN 0.485 nan 8.180 nan 0.000 0.413 311 A N 4.743 127.651 122.820 0.148 0.000 2.990 311 A HA 0.397 4.718 4.320 0.002 0.000 0.282 311 A C -0.032 177.457 177.584 -0.159 0.000 1.688 311 A CA -0.135 51.927 52.037 0.042 0.000 1.391 311 A CB -0.605 18.441 19.000 0.077 0.000 1.112 311 A HN 0.622 nan 8.150 nan 0.000 0.588 312 I N 1.828 122.283 120.570 -0.192 0.000 2.416 312 I HA 0.039 4.211 4.170 0.002 0.000 0.288 312 I C 0.805 176.809 176.117 -0.188 0.000 1.051 312 I CA -0.473 60.614 61.300 -0.356 0.000 1.375 312 I CB 0.581 38.456 38.000 -0.208 0.000 1.407 312 I HN 0.680 nan 8.210 nan 0.000 0.516 313 H N 9.248 128.195 119.070 -0.204 0.000 3.107 313 H HA 0.066 4.623 4.556 0.002 0.000 0.301 313 H C -1.953 173.348 175.328 -0.045 0.000 0.981 313 H CA -1.153 54.845 56.048 -0.084 0.000 1.443 313 H CB 0.644 30.381 29.762 -0.041 0.000 1.479 313 H HN 0.266 nan 8.280 nan 0.000 0.564 314 P HA 0.082 nan 4.420 nan 0.000 0.230 314 P C 0.614 177.724 177.300 -0.316 0.000 1.791 314 P CA 0.104 62.977 63.100 -0.378 0.000 1.020 314 P CB 0.066 31.591 31.700 -0.290 0.000 1.977 315 G N 0.682 109.486 108.800 0.007 0.000 2.744 315 G HA2 0.321 4.282 3.960 0.002 0.000 0.211 315 G HA3 0.321 4.282 3.960 0.002 0.000 0.211 315 G C 0.665 175.622 174.900 0.095 0.000 1.143 315 G CA 0.356 45.615 45.100 0.264 0.000 0.788 315 G HN 0.682 nan 8.290 nan 0.000 0.534 316 G N -1.235 107.562 108.800 -0.005 0.000 2.350 316 G HA2 0.322 4.283 3.960 0.002 0.000 0.305 316 G HA3 0.322 4.283 3.960 0.002 0.000 0.305 316 G C -2.134 172.741 174.900 -0.041 0.000 1.479 316 G CA -0.052 45.032 45.100 -0.027 0.000 0.949 316 G HN -0.145 nan 8.290 nan 0.000 0.651 317 P HA -0.157 nan 4.420 nan 0.000 0.216 317 P C 1.367 178.741 177.300 0.124 0.000 1.153 317 P CA 1.480 64.703 63.100 0.203 0.000 0.858 317 P CB 0.195 32.072 31.700 0.296 0.000 0.789 318 K N -0.953 119.485 120.400 0.064 0.000 2.103 318 K HA -0.051 4.270 4.320 0.002 0.000 0.204 318 K C 2.246 178.857 176.600 0.019 0.000 1.052 318 K CA 0.950 57.264 56.287 0.044 0.000 0.945 318 K CB -0.552 31.954 32.500 0.009 0.000 0.722 318 K HN 0.068 nan 8.250 nan 0.000 0.443 319 I N 1.566 122.141 120.570 0.009 0.000 2.163 319 I HA -0.283 3.888 4.170 0.002 0.000 0.243 319 I C 2.136 178.283 176.117 0.049 0.000 1.085 319 I CA 1.529 62.860 61.300 0.052 0.000 1.347 319 I CB -0.298 37.788 38.000 0.142 0.000 1.044 319 I HN 0.107 nan 8.210 nan 0.000 0.408 320 I N -0.425 120.069 120.570 -0.127 0.000 2.353 320 I HA -0.218 3.954 4.170 0.002 0.000 0.248 320 I C 2.451 178.495 176.117 -0.122 0.000 1.119 320 I CA 1.066 62.188 61.300 -0.296 0.000 1.417 320 I CB -0.454 36.958 38.000 -0.980 0.000 1.078 320 I HN 0.271 nan 8.210 nan 0.000 0.421 321 E N 0.644 120.844 120.200 -0.001 0.000 2.012 321 E HA -0.261 4.090 4.350 0.002 0.000 0.197 321 E C 2.249 178.928 176.600 0.131 0.000 1.007 321 E CA 1.323 57.820 56.400 0.161 0.000 0.816 321 E CB 0.044 29.853 29.700 0.181 0.000 0.762 321 E HN 0.364 nan 8.360 nan 0.000 0.451 322 Q N 0.047 119.915 119.800 0.114 0.000 2.226 322 Q HA -0.073 4.269 4.340 0.002 0.000 0.204 322 Q C 2.253 178.375 176.000 0.204 0.000 0.975 322 Q CA 0.893 56.800 55.803 0.172 0.000 0.866 322 Q CB -0.119 28.697 28.738 0.129 0.000 0.915 322 Q HN 0.127 nan 8.270 nan 0.000 0.440 323 S N 0.183 115.995 115.700 0.187 0.000 2.355 323 S HA -0.080 4.391 4.470 0.002 0.000 0.222 323 S C 2.196 176.889 174.600 0.155 0.000 1.031 323 S CA 1.074 59.434 58.200 0.267 0.000 0.993 323 S CB -0.211 63.261 63.200 0.452 0.000 0.859 323 S HN 0.150 nan 8.310 nan 0.000 0.453 324 V N 1.951 121.925 119.914 0.099 0.000 2.255 324 V HA -0.197 3.925 4.120 0.002 0.000 0.247 324 V C 2.504 178.623 176.094 0.042 0.000 1.051 324 V CA 1.773 64.089 62.300 0.027 0.000 1.018 324 V CB -0.608 31.260 31.823 0.074 0.000 0.641 324 V HN 0.347 nan 8.190 nan 0.000 0.445 325 R N -0.357 120.220 120.500 0.128 0.000 2.096 325 R HA -0.156 4.186 4.340 0.002 0.000 0.235 325 R C 2.706 179.133 176.300 0.212 0.000 1.127 325 R CA 1.586 57.802 56.100 0.194 0.000 0.968 325 R CB -0.442 30.010 30.300 0.253 0.000 0.861 325 R HN 0.499 nan 8.270 nan 0.000 0.440 326 S N 0.466 116.243 115.700 0.128 0.000 2.382 326 S HA -0.044 4.427 4.470 0.002 0.000 0.228 326 S C 1.797 176.306 174.600 -0.151 0.000 1.027 326 S CA 0.927 59.015 58.200 -0.186 0.000 0.991 326 S CB -0.003 63.064 63.200 -0.222 0.000 0.823 326 S HN 0.255 nan 8.310 nan 0.000 0.469 327 L N 0.527 121.685 121.223 -0.109 0.000 2.395 327 L HA 0.196 4.537 4.340 0.002 0.000 0.218 327 L C 1.598 178.389 176.870 -0.131 0.000 1.130 327 L CA 0.475 55.212 54.840 -0.172 0.000 0.826 327 L CB -0.657 41.183 42.059 -0.366 0.000 0.941 327 L HN 0.548 nan 8.230 nan 0.000 0.451 328 G N 1.877 110.635 108.800 -0.070 0.000 2.272 328 G HA2 -0.279 3.683 3.960 0.002 0.000 0.280 328 G HA3 -0.279 3.683 3.960 0.002 0.000 0.280 328 G C 0.120 174.991 174.900 -0.048 0.000 1.067 328 G CA 0.638 45.721 45.100 -0.028 0.000 0.902 328 G HN 0.491 nan 8.290 nan 0.000 0.500 329 I N -2.817 117.696 120.570 -0.096 0.000 2.982 329 I HA 0.838 5.009 4.170 0.002 0.000 0.312 329 I C 0.722 176.822 176.117 -0.028 0.000 1.041 329 I CA -0.949 60.294 61.300 -0.095 0.000 1.053 329 I CB 1.817 39.655 38.000 -0.270 0.000 1.248 329 I HN 0.145 nan 8.210 nan 0.000 0.471 330 S N 2.108 117.815 115.700 0.012 0.000 2.546 330 S HA 0.221 4.693 4.470 0.002 0.000 0.290 330 S C 1.331 175.968 174.600 0.062 0.000 1.290 330 S CA 0.172 58.398 58.200 0.044 0.000 1.069 330 S CB 0.838 64.075 63.200 0.063 0.000 0.846 330 S HN 0.871 nan 8.310 nan 0.000 0.495 331 A N 4.554 127.422 122.820 0.079 0.000 2.032 331 A HA -0.154 4.167 4.320 0.002 0.000 0.221 331 A C 1.884 179.570 177.584 0.170 0.000 1.165 331 A CA 2.079 54.195 52.037 0.132 0.000 0.645 331 A CB -0.716 18.347 19.000 0.106 0.000 0.807 331 A HN 0.967 nan 8.150 nan 0.000 0.453 332 E N -0.272 120.004 120.200 0.125 0.000 2.204 332 E HA -0.060 4.291 4.350 0.002 0.000 0.194 332 E C 1.633 178.333 176.600 0.166 0.000 0.989 332 E CA 0.698 57.179 56.400 0.136 0.000 0.824 332 E CB -0.266 29.492 29.700 0.096 0.000 0.756 332 E HN 0.650 nan 8.360 nan 0.000 0.477 333 L N 0.254 121.573 121.223 0.159 0.000 2.447 333 L HA -0.121 4.220 4.340 0.002 0.000 0.225 333 L C 1.723 178.724 176.870 0.218 0.000 1.148 333 L CA 0.486 55.450 54.840 0.207 0.000 0.808 333 L CB -0.156 42.035 42.059 0.220 0.000 0.928 333 L HN 0.108 nan 8.230 nan 0.000 0.448 334 A N -0.950 121.990 122.820 0.200 0.000 2.577 334 A HA 0.497 4.818 4.320 0.002 0.000 0.280 334 A C 1.966 179.716 177.584 0.276 0.000 1.331 334 A CA 0.538 52.676 52.037 0.168 0.000 0.935 334 A CB -0.144 18.905 19.000 0.082 0.000 1.082 334 A HN 0.266 nan 8.150 nan 0.000 0.525 335 A N 0.054 123.036 122.820 0.271 0.000 1.845 335 A HA -0.170 4.152 4.320 0.002 0.000 0.215 335 A C 2.014 179.732 177.584 0.224 0.000 1.195 335 A CA 1.857 54.057 52.037 0.272 0.000 0.616 335 A CB -0.511 18.598 19.000 0.182 0.000 0.832 335 A HN 0.486 nan 8.150 nan 0.000 0.443 336 Q N 0.440 120.338 119.800 0.163 0.000 2.112 336 Q HA -0.143 4.198 4.340 0.002 0.000 0.206 336 Q C 2.401 178.469 176.000 0.113 0.000 0.987 336 Q CA 2.158 58.041 55.803 0.134 0.000 0.858 336 Q CB -0.508 28.298 28.738 0.114 0.000 0.905 336 Q HN 0.649 nan 8.270 nan 0.000 0.420 337 S N -0.445 115.290 115.700 0.059 0.000 2.343 337 S HA -0.160 4.312 4.470 0.002 0.000 0.219 337 S C 1.503 176.099 174.600 -0.005 0.000 1.033 337 S CA 1.152 59.322 58.200 -0.050 0.000 1.014 337 S CB -0.658 62.423 63.200 -0.200 0.000 0.915 337 S HN 0.475 nan 8.310 nan 0.000 0.435 338 W N 1.765 123.086 121.300 0.035 0.000 2.305 338 W HA -0.229 4.433 4.660 0.003 0.000 0.308 338 W C 2.348 178.881 176.519 0.022 0.000 1.226 338 W CA 1.240 58.599 57.345 0.024 0.000 1.253 338 W CB -0.499 28.977 29.460 0.025 0.000 1.146 338 W HN 0.377 nan 8.180 nan 0.000 0.507 339 D N -0.338 120.228 120.400 0.277 0.000 2.097 339 D HA -0.194 4.447 4.640 0.002 0.000 0.195 339 D C 1.952 178.344 176.300 0.154 0.000 0.989 339 D CA 1.926 56.034 54.000 0.179 0.000 0.827 339 D CB -0.280 40.614 40.800 0.156 0.000 0.966 339 D HN -0.082 nan 8.370 nan 0.000 0.456 340 V N 1.017 121.036 119.914 0.175 0.000 2.343 340 V HA -0.186 3.936 4.120 0.002 0.000 0.247 340 V C 2.476 178.658 176.094 0.147 0.000 1.051 340 V CA 1.206 63.645 62.300 0.231 0.000 1.036 340 V CB -0.572 31.352 31.823 0.168 0.000 0.654 340 V HN 0.422 nan 8.190 nan 0.000 0.451 341 L N 0.530 121.801 121.223 0.080 0.000 2.083 341 L HA -0.139 4.203 4.340 0.002 0.000 0.209 341 L C 2.497 179.406 176.870 0.066 0.000 1.083 341 L CA 2.488 57.359 54.840 0.052 0.000 0.752 341 L CB -0.969 41.120 42.059 0.050 0.000 0.899 341 L HN 0.361 nan 8.230 nan 0.000 0.433 342 A N 0.305 123.179 122.820 0.090 0.000 1.898 342 A HA -0.206 4.115 4.320 0.002 0.000 0.216 342 A C 2.274 179.816 177.584 -0.070 0.000 1.181 342 A CA 1.558 53.617 52.037 0.036 0.000 0.620 342 A CB -0.380 18.651 19.000 0.052 0.000 0.819 342 A HN 0.509 nan 8.150 nan 0.000 0.442 343 R N -2.466 117.934 120.500 -0.167 0.000 2.140 343 R HA 0.167 4.508 4.340 0.002 0.000 0.213 343 R C 0.665 176.523 176.300 -0.737 0.000 1.059 343 R CA 1.100 56.905 56.100 -0.492 0.000 1.000 343 R CB -0.044 29.823 30.300 -0.722 0.000 0.910 343 R HN 0.554 nan 8.270 nan 0.000 0.455 344 F N -0.567 119.353 119.950 -0.051 0.000 2.767 344 F HA 0.381 4.910 4.527 0.003 0.000 0.323 344 F C 1.211 176.953 175.800 -0.098 0.000 1.091 344 F CA 0.154 58.087 58.000 -0.110 0.000 1.192 344 F CB 0.690 39.517 39.000 -0.288 0.000 1.056 344 F HN 0.113 nan 8.300 nan 0.000 0.571 345 G N 1.417 110.251 108.800 0.057 0.000 2.697 345 G HA2 -0.308 3.653 3.960 0.002 0.000 0.240 345 G HA3 -0.308 3.653 3.960 0.002 0.000 0.240 345 G C -0.458 174.462 174.900 0.032 0.000 1.346 345 G CA -0.466 44.651 45.100 0.028 0.000 0.887 345 G HN 0.305 nan 8.290 nan 0.000 0.569 346 N N 0.370 119.111 118.700 0.068 0.000 2.408 346 N HA 0.481 5.223 4.740 0.002 0.000 0.257 346 N C 0.735 176.354 175.510 0.182 0.000 1.064 346 N CA -0.152 52.990 53.050 0.153 0.000 0.952 346 N CB 0.432 39.114 38.487 0.325 0.000 1.093 346 N HN 0.467 nan 8.380 nan 0.000 0.490 347 M N 4.572 124.201 119.600 0.049 0.000 2.869 347 M HA 0.139 4.620 4.480 0.002 0.000 0.353 347 M C 0.166 176.476 176.300 0.017 0.000 1.224 347 M CA -0.483 54.814 55.300 -0.006 0.000 0.917 347 M CB 0.182 32.695 32.600 -0.146 0.000 1.322 347 M HN 0.349 nan 8.290 nan 0.000 0.516 348 L N -0.771 120.487 121.223 0.058 0.000 6.032 348 L HA -0.460 3.881 4.340 0.002 0.000 0.053 348 L C 1.989 178.940 176.870 0.135 0.000 2.286 348 L CA 2.378 57.245 54.840 0.044 0.000 1.682 348 L CB -1.899 40.089 42.059 -0.118 0.000 2.737 348 L HN 0.617 nan 8.230 nan 0.000 0.986 349 S N -1.582 114.140 115.700 0.037 0.000 2.419 349 S HA -0.125 4.346 4.470 0.002 0.000 0.235 349 S C 1.673 176.327 174.600 0.090 0.000 1.019 349 S CA 1.365 59.591 58.200 0.044 0.000 0.982 349 S CB -0.710 62.502 63.200 0.020 0.000 0.789 349 S HN 0.379 nan 8.310 nan 0.000 0.490 350 V N 2.194 122.161 119.914 0.088 0.000 2.295 350 V HA -0.178 3.944 4.120 0.002 0.000 0.246 350 V C 2.819 178.993 176.094 0.133 0.000 1.049 350 V CA 2.050 64.416 62.300 0.110 0.000 1.024 350 V CB -1.355 30.512 31.823 0.073 0.000 0.648 350 V HN 0.551 nan 8.190 nan 0.000 0.447 351 S N 0.205 115.925 115.700 0.032 0.000 2.381 351 S HA -0.290 4.182 4.470 0.002 0.000 0.230 351 S C 1.897 176.515 174.600 0.030 0.000 1.052 351 S CA 2.042 60.200 58.200 -0.071 0.000 1.068 351 S CB -0.585 62.483 63.200 -0.221 0.000 0.918 351 S HN 0.401 nan 8.310 nan 0.000 0.448 352 L N 1.199 122.489 121.223 0.113 0.000 2.187 352 L HA 0.002 4.343 4.340 0.002 0.000 0.213 352 L C 1.838 178.731 176.870 0.038 0.000 1.100 352 L CA 1.469 56.358 54.840 0.082 0.000 0.765 352 L CB -0.448 41.677 42.059 0.110 0.000 0.904 352 L HN 0.360 nan 8.230 nan 0.000 0.437 353 I N -2.710 117.907 120.570 0.077 0.000 2.716 353 I HA -0.205 3.966 4.170 0.002 0.000 0.259 353 I C 1.988 178.120 176.117 0.024 0.000 1.172 353 I CA 0.414 61.723 61.300 0.016 0.000 1.478 353 I CB -0.235 37.762 38.000 -0.006 0.000 1.104 353 I HN 0.104 nan 8.210 nan 0.000 0.439 354 F N 0.984 120.866 119.950 -0.112 0.000 2.075 354 F HA -0.201 4.327 4.527 0.002 0.000 0.297 354 F C 2.512 178.272 175.800 -0.067 0.000 1.113 354 F CA 1.472 59.398 58.000 -0.123 0.000 1.218 354 F CB -0.975 37.916 39.000 -0.180 0.000 0.984 354 F HN -0.216 nan 8.300 nan 0.000 0.472 355 V N 0.344 120.350 119.914 0.153 0.000 2.252 355 V HA -0.341 3.780 4.120 0.002 0.000 0.249 355 V C 2.520 178.627 176.094 0.022 0.000 1.056 355 V CA 1.907 64.253 62.300 0.076 0.000 1.022 355 V CB -0.833 31.008 31.823 0.028 0.000 0.641 355 V HN 0.343 nan 8.190 nan 0.000 0.445 356 L N -0.114 121.084 121.223 -0.042 0.000 2.043 356 L HA -0.278 4.063 4.340 0.002 0.000 0.212 356 L C 2.662 179.478 176.870 -0.090 0.000 1.075 356 L CA 2.501 57.267 54.840 -0.123 0.000 0.752 356 L CB -0.405 41.516 42.059 -0.231 0.000 0.891 356 L HN 0.549 nan 8.230 nan 0.000 0.432 357 E N -0.911 119.236 120.200 -0.088 0.000 2.085 357 E HA -0.237 4.115 4.350 0.002 0.000 0.194 357 E C 1.819 178.396 176.600 -0.039 0.000 0.994 357 E CA 1.995 58.339 56.400 -0.093 0.000 0.801 357 E CB 0.059 29.658 29.700 -0.167 0.000 0.743 357 E HN 0.480 nan 8.360 nan 0.000 0.453 358 T N 0.982 115.538 114.554 0.003 0.000 2.746 358 T HA -0.154 4.197 4.350 0.002 0.000 0.267 358 T C 1.831 176.555 174.700 0.041 0.000 1.039 358 T CA 1.667 63.792 62.100 0.041 0.000 1.142 358 T CB -0.149 68.770 68.868 0.085 0.000 0.866 358 T HN 0.255 nan 8.240 nan 0.000 0.444 359 M N 0.603 120.227 119.600 0.041 0.000 2.296 359 M HA -0.039 4.442 4.480 0.002 0.000 0.265 359 M C 2.308 178.635 176.300 0.045 0.000 1.064 359 M CA 0.988 56.325 55.300 0.061 0.000 1.109 359 M CB -0.512 32.145 32.600 0.095 0.000 1.396 359 M HN 0.118 nan 8.290 nan 0.000 0.430 360 V N 0.221 120.142 119.914 0.011 0.000 2.346 360 V HA -0.205 3.916 4.120 0.002 0.000 0.244 360 V C 2.203 178.300 176.094 0.006 0.000 1.037 360 V CA 1.561 63.862 62.300 0.002 0.000 1.029 360 V CB -0.764 31.041 31.823 -0.030 0.000 0.663 360 V HN 0.475 nan 8.190 nan 0.000 0.454 361 Q N 0.752 120.552 119.800 0.001 0.000 2.084 361 Q HA -0.152 4.189 4.340 0.002 0.000 0.202 361 Q C 0.851 176.861 176.000 0.018 0.000 0.978 361 Q CA 1.190 56.996 55.803 0.005 0.000 0.844 361 Q CB -0.034 28.706 28.738 0.003 0.000 0.898 361 Q HN 0.786 nan 8.270 nan 0.000 0.426 362 Q N -0.103 119.715 119.800 0.029 0.000 2.339 362 Q HA 0.677 5.018 4.340 0.002 0.000 0.268 362 Q C -1.288 174.736 176.000 0.041 0.000 1.027 362 Q CA -0.709 55.115 55.803 0.035 0.000 0.759 362 Q CB 1.682 30.445 28.738 0.041 0.000 1.244 362 Q HN 0.023 nan 8.270 nan 0.000 0.464 363 A N 2.916 125.757 122.820 0.035 0.000 2.445 363 A HA 0.121 4.443 4.320 0.002 0.000 0.242 363 A C 0.773 178.382 177.584 0.041 0.000 1.075 363 A CA -0.188 51.872 52.037 0.037 0.000 0.777 363 A CB 0.260 19.277 19.000 0.029 0.000 1.013 363 A HN 0.886 nan 8.150 nan 0.000 0.493 364 E N 0.605 120.831 120.200 0.044 0.000 2.465 364 E HA 0.195 4.546 4.350 0.002 0.000 0.195 364 E C -0.085 176.539 176.600 0.040 0.000 1.028 364 E CA 0.565 56.994 56.400 0.048 0.000 0.899 364 E CB -0.623 29.112 29.700 0.058 0.000 1.032 364 E HN 1.003 nan 8.360 nan 0.000 0.468 365 S N -1.747 113.972 115.700 0.031 0.000 2.688 365 S HA 0.541 5.012 4.470 0.002 0.000 0.266 365 S C -0.246 174.366 174.600 0.020 0.000 1.061 365 S CA -0.408 57.807 58.200 0.026 0.000 0.844 365 S CB 0.366 63.580 63.200 0.024 0.000 1.103 365 S HN 0.212 nan 8.310 nan 0.000 0.471 366 A N 0.746 123.577 122.820 0.017 0.000 2.359 366 A HA 0.333 4.654 4.320 0.002 0.000 0.240 366 A C 0.673 178.263 177.584 0.010 0.000 1.306 366 A CA -0.259 51.786 52.037 0.014 0.000 0.898 366 A CB -0.866 18.142 19.000 0.013 0.000 0.956 366 A HN 0.684 nan 8.150 nan 0.000 0.497 367 K N -0.121 120.284 120.400 0.009 0.000 2.118 367 K HA 0.692 5.013 4.320 0.002 0.000 0.267 367 K C -0.136 176.466 176.600 0.004 0.000 0.991 367 K CA -0.285 56.005 56.287 0.004 0.000 0.916 367 K CB 1.298 33.798 32.500 -0.000 0.000 1.041 367 K HN 0.039 nan 8.250 nan 0.000 0.455 368 A N 4.120 126.941 122.820 0.002 0.000 2.404 368 A HA 0.399 4.721 4.320 0.002 0.000 0.273 368 A C 0.168 177.752 177.584 -0.000 0.000 1.144 368 A CA -0.619 51.420 52.037 0.003 0.000 0.806 368 A CB -0.663 18.338 19.000 0.002 0.000 1.080 368 A HN 0.877 nan 8.150 nan 0.000 0.509 369 I N 1.270 121.842 120.570 0.003 0.000 7.870 369 I HA -0.178 3.993 4.170 0.002 0.000 0.126 369 I C -0.116 175.994 176.117 -0.012 0.000 1.847 369 I CA 0.204 61.504 61.300 0.000 0.000 2.037 369 I CB -1.368 36.628 38.000 -0.007 0.000 3.728 369 I HN 0.601 nan 8.210 nan 0.000 0.169 370 S N 5.005 120.700 115.700 -0.008 0.000 2.433 370 S HA 0.488 4.959 4.470 0.002 0.000 0.310 370 S C 0.073 174.612 174.600 -0.102 0.000 1.097 370 S CA -0.619 57.560 58.200 -0.035 0.000 1.103 370 S CB 1.784 64.984 63.200 -0.000 0.000 0.992 370 S HN 0.537 nan 8.310 nan 0.000 0.469 371 T N 3.311 117.761 114.554 -0.173 0.000 2.749 371 T HA 0.606 4.958 4.350 0.002 0.000 0.295 371 T C 0.537 174.921 174.700 -0.526 0.000 0.936 371 T CA -0.395 61.518 62.100 -0.310 0.000 1.060 371 T CB 0.926 69.649 68.868 -0.241 0.000 0.904 371 T HN 0.723 nan 8.240 nan 0.000 0.500 372 G N 1.441 109.654 108.800 -0.979 0.000 2.605 372 G HA2 0.659 4.621 3.960 0.002 0.000 0.296 372 G HA3 0.659 4.621 3.960 0.002 0.000 0.296 372 G C -1.480 172.569 174.900 -1.418 0.000 1.304 372 G CA -0.551 43.795 45.100 -1.257 0.000 0.941 372 G HN 0.646 nan 8.290 nan 0.000 0.475 373 V N 0.049 119.456 119.914 -0.845 0.000 2.604 373 V HA 0.825 4.946 4.120 0.002 0.000 0.305 373 V C 0.191 176.377 176.094 0.153 0.000 1.043 373 V CA -0.543 61.597 62.300 -0.267 0.000 0.888 373 V CB 1.403 33.075 31.823 -0.251 0.000 0.995 373 V HN 1.241 nan 8.190 nan 0.000 0.429 374 A N 4.542 127.582 122.820 0.367 0.000 2.413 374 A HA 1.087 5.408 4.320 0.002 0.000 0.307 374 A C -1.168 176.532 177.584 0.194 0.000 1.087 374 A CA -0.514 51.641 52.037 0.197 0.000 0.750 374 A CB 1.717 20.827 19.000 0.184 0.000 1.296 374 A HN 1.484 nan 8.150 nan 0.000 0.423 375 F N -1.820 118.164 119.950 0.057 0.000 2.725 375 F HA 0.802 5.329 4.527 0.002 0.000 0.311 375 F C -0.538 175.102 175.800 -0.267 0.000 1.121 375 F CA -0.556 57.370 58.000 -0.123 0.000 0.978 375 F CB 0.575 39.568 39.000 -0.012 0.000 1.274 375 F HN 1.197 nan 8.300 nan 0.000 0.440 376 A N 1.305 124.020 122.820 -0.175 0.000 2.524 376 A HA 0.931 5.253 4.320 0.002 0.000 0.286 376 A C -2.188 174.947 177.584 -0.749 0.000 1.203 376 A CA -0.924 50.861 52.037 -0.420 0.000 0.736 376 A CB 1.375 20.182 19.000 -0.321 0.000 1.322 376 A HN 0.723 nan 8.150 nan 0.000 0.424 377 F N -0.362 119.591 119.950 0.005 0.000 2.520 377 F HA 0.666 5.194 4.527 0.003 0.000 0.322 377 F C 0.830 176.600 175.800 -0.049 0.000 1.103 377 F CA -0.176 57.832 58.000 0.012 0.000 0.926 377 F CB 2.480 41.515 39.000 0.058 0.000 1.154 377 F HN 0.809 nan 8.300 nan 0.000 0.453 378 G N 1.480 110.344 108.800 0.107 0.000 2.788 378 G HA2 0.705 4.667 3.960 0.002 0.000 0.293 378 G HA3 0.705 4.667 3.960 0.002 0.000 0.293 378 G C -3.126 171.797 174.900 0.038 0.000 1.305 378 G CA -2.326 42.793 45.100 0.032 0.000 1.005 378 G HN 0.263 nan 8.290 nan 0.000 0.496 379 P HA 0.122 nan 4.420 nan 0.000 0.269 379 P C 1.177 178.472 177.300 -0.007 0.000 1.205 379 P CA 1.922 65.011 63.100 -0.017 0.000 0.780 379 P CB 0.568 32.238 31.700 -0.050 0.000 0.858 380 G N -0.012 108.777 108.800 -0.020 0.000 2.302 380 G HA2 -0.315 3.646 3.960 0.002 0.000 0.263 380 G HA3 -0.315 3.646 3.960 0.002 0.000 0.263 380 G C 0.040 174.906 174.900 -0.056 0.000 0.995 380 G CA 0.086 45.166 45.100 -0.033 0.000 0.622 380 G HN 0.778 nan 8.290 nan 0.000 0.538 381 V N -0.410 119.492 119.914 -0.021 0.000 4.436 381 V HA -0.137 3.985 4.120 0.002 0.000 0.401 381 V C 0.311 176.423 176.094 0.029 0.000 0.653 381 V CA 1.284 63.585 62.300 0.002 0.000 1.676 381 V CB -2.036 29.722 31.823 -0.108 0.000 2.052 381 V HN 1.234 nan 8.190 nan 0.000 0.484 382 T N 3.960 118.562 114.554 0.079 0.000 2.792 382 T HA 0.629 4.981 4.350 0.002 0.000 0.280 382 T C -0.035 174.742 174.700 0.129 0.000 0.990 382 T CA -0.651 61.495 62.100 0.077 0.000 0.960 382 T CB 2.169 71.060 68.868 0.038 0.000 0.939 382 T HN 0.436 nan 8.240 nan 0.000 0.439 383 V N 3.552 123.553 119.914 0.144 0.000 2.406 383 V HA 0.406 4.528 4.120 0.002 0.000 0.272 383 V C 0.195 176.309 176.094 0.033 0.000 1.043 383 V CA -0.427 61.944 62.300 0.119 0.000 0.915 383 V CB 0.984 32.916 31.823 0.182 0.000 0.988 383 V HN 0.830 nan 8.190 nan 0.000 0.466 384 E N 2.534 122.669 120.200 -0.108 0.000 2.210 384 E HA 0.771 5.122 4.350 0.002 0.000 0.266 384 E C 0.142 176.513 176.600 -0.382 0.000 0.883 384 E CA -0.038 56.227 56.400 -0.226 0.000 0.761 384 E CB 2.162 31.769 29.700 -0.156 0.000 1.156 384 E HN 0.874 nan 8.360 nan 0.000 0.412 385 G N 1.839 110.116 108.800 -0.871 0.000 2.650 385 G HA2 0.644 4.605 3.960 0.002 0.000 0.310 385 G HA3 0.644 4.605 3.960 0.002 0.000 0.310 385 G C -1.393 172.999 174.900 -0.847 0.000 1.270 385 G CA -0.559 44.077 45.100 -0.774 0.000 0.810 385 G HN 0.533 nan 8.290 nan 0.000 0.493 386 M N -1.341 118.106 119.600 -0.256 0.000 2.643 386 M HA 0.767 5.248 4.480 0.002 0.000 0.276 386 M C -2.244 174.264 176.300 0.347 0.000 1.200 386 M CA -0.928 54.419 55.300 0.078 0.000 0.863 386 M CB 2.135 34.776 32.600 0.067 0.000 1.711 386 M HN 0.742 nan 8.290 nan 0.000 0.492 387 L N 3.313 124.710 121.223 0.290 0.000 2.309 387 L HA 0.908 5.249 4.340 0.002 0.000 0.282 387 L C -1.538 175.434 176.870 0.171 0.000 1.036 387 L CA -0.089 54.836 54.840 0.141 0.000 0.806 387 L CB 1.286 43.399 42.059 0.091 0.000 1.220 387 L HN 0.766 nan 8.230 nan 0.000 0.429 388 F N 1.412 121.354 119.950 -0.013 0.000 2.668 388 F HA 0.703 5.231 4.527 0.002 0.000 0.309 388 F C -1.375 174.400 175.800 -0.041 0.000 1.117 388 F CA -1.012 56.974 58.000 -0.024 0.000 0.951 388 F CB 1.246 40.230 39.000 -0.027 0.000 1.323 388 F HN 0.329 nan 8.300 nan 0.000 0.451 389 D N 2.222 122.739 120.400 0.196 0.000 2.350 389 D HA 0.548 5.190 4.640 0.002 0.000 0.245 389 D C -0.734 175.690 176.300 0.206 0.000 1.036 389 D CA -0.128 53.928 54.000 0.095 0.000 0.848 389 D CB 2.939 43.759 40.800 0.034 0.000 1.307 389 D HN 0.594 nan 8.370 nan 0.000 0.469 390 I N 2.527 123.189 120.570 0.155 0.000 2.355 390 I HA 0.228 4.399 4.170 0.002 0.000 0.288 390 I C -0.187 175.968 176.117 0.064 0.000 0.999 390 I CA -0.867 60.511 61.300 0.130 0.000 1.163 390 I CB 1.326 39.414 38.000 0.146 0.000 1.316 390 I HN 0.101 nan 8.210 nan 0.000 0.454 391 I N 7.519 128.117 120.570 0.047 0.000 2.533 391 I HA 0.092 4.263 4.170 0.002 0.000 0.284 391 I C 1.417 177.548 176.117 0.023 0.000 1.109 391 I CA 0.491 61.808 61.300 0.028 0.000 1.412 391 I CB 0.263 38.277 38.000 0.023 0.000 1.396 391 I HN 0.501 nan 8.210 nan 0.000 0.543 392 R N 5.410 125.921 120.500 0.018 0.000 2.191 392 R HA 0.382 4.724 4.340 0.002 0.000 0.196 392 R C 0.496 176.802 176.300 0.011 0.000 0.991 392 R CA 0.302 56.411 56.100 0.015 0.000 1.075 392 R CB 0.258 30.567 30.300 0.015 0.000 1.040 392 R HN 0.535 nan 8.270 nan 0.000 0.526 393 R N 0.000 120.505 120.500 0.009 0.000 2.786 393 R HA 0.000 4.341 4.340 0.002 0.000 0.208 393 R CA 0.000 56.104 56.100 0.006 0.000 0.921 393 R CB 0.000 30.303 30.300 0.005 0.000 0.687 393 R HN 0.000 nan 8.270 nan 0.000 0.535