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 3fcp_1_F DATA FIRST_RESID 5 DATA SEQUENCE ATVEQIESWI VDVPTIXXXX XXXXXXXCQS LVIVRLTRSD GICGIGEATT DATA SEQUENCE IGGLSYGVES PEAISSAITH YLTPLLKGQP ADNLNALTAR MNGAIKGNTF DATA SEQUENCE AKSAIETALL DAQGKALGLP VSALLGGALQ TALPVLWTLA SGDTAKDIAE DATA SEQUENCE GEKLLAXXXX RAFKLKIGAR ELATDLRHTR AIVEALGDRA SIRVDVNQAW DATA SEQUENCE DAATGAKGCR ELAAMGVDLI EQPVSAHDNA ALVRLSQQIE TAILADEAVA DATA SEQUENCE TAYDGYQLAQ QGFTGAYALK IAKAGGPNSV LALARVAQAA GIGLYGGTML DATA SEQUENCE EGTVGTVASL HAWSTLPLQW GTEMFGPLLL KDDIVSVPLT FADGQVALPQ DATA SEQUENCE TPGLGVELDE DKLHFYTRQ 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.582 177.584 -0.003 0.000 1.274 5 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 5 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 6 T N -1.217 113.335 114.554 -0.003 0.000 2.940 6 T HA 0.785 5.136 4.350 0.001 0.000 0.288 6 T C 0.167 174.864 174.700 -0.004 0.000 1.045 6 T CA -0.173 61.925 62.100 -0.003 0.000 1.018 6 T CB 1.263 70.130 68.868 -0.002 0.000 1.151 6 T HN 2.074 nan 8.240 nan 0.000 0.529 7 V N 0.244 120.156 119.914 -0.005 0.000 2.408 7 V HA 0.406 4.527 4.120 0.001 0.000 0.267 7 V C 0.953 177.042 176.094 -0.008 0.000 1.047 7 V CA -0.012 62.284 62.300 -0.006 0.000 0.937 7 V CB 0.547 32.365 31.823 -0.008 0.000 0.999 7 V HN 1.116 nan 8.190 nan 0.000 0.472 8 E N 3.581 123.777 120.200 -0.007 0.000 2.166 8 E HA 0.136 4.487 4.350 0.001 0.000 0.192 8 E C 0.638 177.230 176.600 -0.014 0.000 0.967 8 E CA 0.193 56.589 56.400 -0.008 0.000 0.840 8 E CB 0.485 30.183 29.700 -0.003 0.000 0.795 8 E HN 0.837 nan 8.360 nan 0.000 0.470 9 Q N -0.029 119.761 119.800 -0.016 0.000 2.435 9 Q HA 0.484 4.824 4.340 0.001 0.000 0.282 9 Q C -1.924 174.052 176.000 -0.039 0.000 1.020 9 Q CA -0.474 55.312 55.803 -0.028 0.000 0.820 9 Q CB 1.857 30.582 28.738 -0.022 0.000 1.436 9 Q HN 0.147 nan 8.270 nan 0.000 0.395 10 I N 2.055 122.584 120.570 -0.068 0.000 2.534 10 I HA 0.449 4.619 4.170 0.001 0.000 0.288 10 I C -0.752 175.261 176.117 -0.175 0.000 1.077 10 I CA -0.574 60.669 61.300 -0.096 0.000 1.051 10 I CB 2.297 40.248 38.000 -0.082 0.000 1.234 10 I HN 0.551 nan 8.210 nan 0.000 0.425 11 E N 4.001 124.048 120.200 -0.256 0.000 2.256 11 E HA 0.665 5.016 4.350 0.001 0.000 0.267 11 E C -1.095 175.077 176.600 -0.714 0.000 0.892 11 E CA -0.729 55.351 56.400 -0.533 0.000 0.775 11 E CB 2.538 31.846 29.700 -0.654 0.000 1.207 11 E HN 0.609 nan 8.360 nan 0.000 0.420 12 S N 1.614 116.792 115.700 -0.870 0.000 2.546 12 S HA 0.643 5.113 4.470 0.001 0.000 0.274 12 S C -1.428 172.783 174.600 -0.648 0.000 1.121 12 S CA -0.928 56.918 58.200 -0.589 0.000 0.887 12 S CB 1.272 64.326 63.200 -0.243 0.000 1.094 12 S HN 0.524 nan 8.310 nan 0.000 0.474 13 W N 1.497 122.813 121.300 0.027 0.000 3.022 13 W HA 0.491 5.151 4.660 0.000 0.000 0.335 13 W C -1.059 175.483 176.519 0.039 0.000 1.133 13 W CA -1.065 56.302 57.345 0.037 0.000 1.219 13 W CB 1.717 31.207 29.460 0.050 0.000 1.409 13 W HN 0.593 nan 8.180 nan 0.000 0.507 14 I N 2.947 123.672 120.570 0.258 0.000 2.325 14 I HA 0.242 4.413 4.170 0.001 0.000 0.291 14 I C -0.157 176.064 176.117 0.174 0.000 1.019 14 I CA -0.643 60.759 61.300 0.170 0.000 1.302 14 I CB 1.027 39.094 38.000 0.113 0.000 1.401 14 I HN -0.115 nan 8.210 nan 0.000 0.485 15 V N 5.608 125.611 119.914 0.147 0.000 2.448 15 V HA 0.305 4.425 4.120 0.001 0.000 0.295 15 V C -0.544 175.603 176.094 0.087 0.000 1.025 15 V CA -0.754 61.622 62.300 0.127 0.000 0.859 15 V CB 1.915 33.807 31.823 0.116 0.000 0.988 15 V HN 0.568 nan 8.190 nan 0.000 0.431 16 D N 4.021 124.478 120.400 0.094 0.000 2.427 16 D HA 0.411 5.051 4.640 0.001 0.000 0.226 16 D C -0.190 176.122 176.300 0.020 0.000 1.076 16 D CA 0.037 54.072 54.000 0.059 0.000 0.849 16 D CB 2.055 42.894 40.800 0.066 0.000 1.052 16 D HN 0.461 nan 8.370 nan 0.000 0.515 17 V N 0.586 120.446 119.914 -0.089 0.000 2.547 17 V HA 0.661 4.782 4.120 0.001 0.000 0.299 17 V C -2.512 173.498 176.094 -0.139 0.000 1.040 17 V CA -2.299 59.830 62.300 -0.287 0.000 0.913 17 V CB 1.870 33.481 31.823 -0.352 0.000 0.992 17 V HN 0.217 nan 8.190 nan 0.000 0.449 18 P HA 0.248 nan 4.420 nan 0.000 0.275 18 P C -0.048 177.241 177.300 -0.018 0.000 1.227 18 P CA 0.324 63.414 63.100 -0.017 0.000 0.781 18 P CB 1.034 32.760 31.700 0.044 0.000 0.906 19 T N 0.481 115.043 114.554 0.013 0.000 2.936 19 T HA 0.599 4.949 4.350 0.001 0.000 0.282 19 T C 1.040 175.762 174.700 0.037 0.000 1.003 19 T CA -0.957 61.158 62.100 0.025 0.000 1.005 19 T CB 0.566 69.454 68.868 0.034 0.000 1.097 19 T HN 0.415 nan 8.240 nan 0.000 0.532 33 Q N 1.729 121.538 119.800 0.015 0.000 2.316 33 Q HA 0.709 5.049 4.340 0.001 0.000 0.264 33 Q C -0.745 175.269 176.000 0.024 0.000 0.987 33 Q CA 0.193 56.011 55.803 0.024 0.000 0.852 33 Q CB 1.536 30.285 28.738 0.019 0.000 1.287 33 Q HN 0.742 nan 8.270 nan 0.000 0.448 34 S N 4.585 120.310 115.700 0.041 0.000 2.438 34 S HA 0.613 5.083 4.470 0.001 0.000 0.293 34 S C -0.624 174.014 174.600 0.063 0.000 1.141 34 S CA -0.627 57.603 58.200 0.050 0.000 1.080 34 S CB 0.173 63.404 63.200 0.052 0.000 0.978 34 S HN 0.587 nan 8.310 nan 0.000 0.479 35 L N 2.496 123.760 121.223 0.068 0.000 2.342 35 L HA 0.691 5.031 4.340 0.001 0.000 0.271 35 L C -0.759 176.175 176.870 0.107 0.000 1.008 35 L CA -1.174 53.715 54.840 0.082 0.000 0.818 35 L CB 1.479 43.577 42.059 0.066 0.000 1.296 35 L HN 0.246 nan 8.230 nan 0.000 0.427 36 V N 4.034 124.017 119.914 0.115 0.000 2.311 36 V HA 0.357 4.477 4.120 0.001 0.000 0.275 36 V C 0.156 176.334 176.094 0.141 0.000 1.022 36 V CA -0.347 62.029 62.300 0.128 0.000 0.830 36 V CB 1.350 33.237 31.823 0.107 0.000 1.012 36 V HN 0.410 nan 8.190 nan 0.000 0.452 37 I N 5.244 125.939 120.570 0.208 0.000 2.428 37 I HA 0.505 4.675 4.170 0.001 0.000 0.296 37 I C 0.022 176.302 176.117 0.272 0.000 0.985 37 I CA -0.357 61.092 61.300 0.248 0.000 1.260 37 I CB 1.723 39.905 38.000 0.305 0.000 1.389 37 I HN 0.347 nan 8.210 nan 0.000 0.484 38 V N 7.233 127.264 119.914 0.194 0.000 2.789 38 V HA 0.601 4.722 4.120 0.001 0.000 0.311 38 V C -0.711 175.471 176.094 0.147 0.000 1.073 38 V CA -0.739 61.617 62.300 0.093 0.000 0.921 38 V CB 2.551 34.387 31.823 0.021 0.000 1.009 38 V HN 0.886 nan 8.190 nan 0.000 0.426 39 R N 5.299 125.856 120.500 0.095 0.000 2.451 39 R HA 0.619 4.959 4.340 0.001 0.000 0.307 39 R C -1.830 174.489 176.300 0.033 0.000 0.965 39 R CA -0.602 55.581 56.100 0.138 0.000 0.865 39 R CB 1.673 32.157 30.300 0.307 0.000 1.174 39 R HN 0.817 nan 8.270 nan 0.000 0.455 40 L N 3.935 125.175 121.223 0.028 0.000 2.296 40 L HA 0.510 4.851 4.340 0.001 0.000 0.286 40 L C -1.011 175.867 176.870 0.014 0.000 1.023 40 L CA -0.219 54.623 54.840 0.004 0.000 0.812 40 L CB 2.022 44.080 42.059 -0.002 0.000 1.223 40 L HN 0.649 nan 8.230 nan 0.000 0.421 41 T N 4.843 119.401 114.554 0.008 0.000 2.749 41 T HA 0.467 4.817 4.350 0.001 0.000 0.287 41 T C -0.020 174.683 174.700 0.005 0.000 0.970 41 T CA -0.474 61.633 62.100 0.013 0.000 0.980 41 T CB 0.857 69.736 68.868 0.017 0.000 0.924 41 T HN 0.578 nan 8.240 nan 0.000 0.456 42 R N 1.295 121.798 120.500 0.005 0.000 2.528 42 R HA 0.303 4.644 4.340 0.001 0.000 0.271 42 R C 1.755 178.057 176.300 0.002 0.000 1.056 42 R CA -0.383 55.717 56.100 0.001 0.000 1.117 42 R CB 0.537 30.836 30.300 -0.000 0.000 1.085 42 R HN 0.750 nan 8.270 nan 0.000 0.530 43 S N -0.043 115.658 115.700 0.001 0.000 2.474 43 S HA -0.137 4.334 4.470 0.001 0.000 0.235 43 S C 0.864 175.465 174.600 0.002 0.000 0.997 43 S CA 1.218 59.419 58.200 0.001 0.000 0.949 43 S CB -0.195 63.005 63.200 -0.000 0.000 0.766 43 S HN 0.759 nan 8.310 nan 0.000 0.517 44 D N 0.138 120.539 120.400 0.002 0.000 2.370 44 D HA 0.335 4.976 4.640 0.001 0.000 0.230 44 D C 1.325 177.628 176.300 0.004 0.000 1.143 44 D CA 0.289 54.290 54.000 0.002 0.000 0.834 44 D CB -0.520 40.280 40.800 -0.000 0.000 0.944 44 D HN 0.471 nan 8.370 nan 0.000 0.504 45 G N 0.284 109.087 108.800 0.006 0.000 2.267 45 G HA2 -0.298 3.663 3.960 0.001 0.000 0.257 45 G HA3 -0.298 3.663 3.960 0.001 0.000 0.257 45 G C 0.242 175.148 174.900 0.011 0.000 0.998 45 G CA 0.195 45.301 45.100 0.009 0.000 0.620 45 G HN 0.465 nan 8.290 nan 0.000 0.529 46 I N 1.316 121.890 120.570 0.007 0.000 2.441 46 I HA 0.384 4.554 4.170 0.001 0.000 0.287 46 I C 0.741 176.864 176.117 0.011 0.000 1.049 46 I CA -0.647 60.657 61.300 0.007 0.000 1.381 46 I CB 1.009 39.009 38.000 0.000 0.000 1.409 46 I HN 0.137 nan 8.210 nan 0.000 0.523 47 C N 4.432 123.742 119.300 0.016 0.000 2.454 47 C HA 0.854 5.314 4.460 0.001 0.000 0.336 47 C C 0.613 175.615 174.990 0.019 0.000 1.189 47 C CA -0.341 58.692 59.018 0.025 0.000 1.877 47 C CB 1.174 28.940 27.740 0.043 0.000 2.348 47 C HN 0.943 nan 8.230 nan 0.000 0.508 48 G N 1.271 110.085 108.800 0.022 0.000 2.563 48 G HA2 0.793 4.753 3.960 0.001 0.000 0.302 48 G HA3 0.793 4.753 3.960 0.001 0.000 0.302 48 G C -1.136 173.784 174.900 0.033 0.000 1.301 48 G CA -0.497 44.612 45.100 0.014 0.000 0.965 48 G HN 0.928 nan 8.290 nan 0.000 0.480 49 I N -0.991 119.598 120.570 0.032 0.000 2.846 49 I HA 1.013 5.183 4.170 0.001 0.000 0.307 49 I C 0.161 176.299 176.117 0.036 0.000 1.053 49 I CA -1.260 60.074 61.300 0.057 0.000 1.050 49 I CB 2.569 40.611 38.000 0.069 0.000 1.239 49 I HN 0.772 nan 8.210 nan 0.000 0.439 50 G N 1.890 110.721 108.800 0.051 0.000 2.684 50 G HA2 0.562 4.522 3.960 0.001 0.000 0.290 50 G HA3 0.562 4.522 3.960 0.001 0.000 0.290 50 G C -2.232 172.697 174.900 0.048 0.000 1.425 50 G CA -0.533 44.584 45.100 0.029 0.000 0.822 50 G HN 0.872 nan 8.290 nan 0.000 0.482 51 E N -0.743 119.474 120.200 0.028 0.000 2.292 51 E HA 0.627 4.977 4.350 0.001 0.000 0.272 51 E C -1.172 175.449 176.600 0.036 0.000 0.881 51 E CA -1.064 55.362 56.400 0.044 0.000 0.754 51 E CB 2.129 31.850 29.700 0.034 0.000 1.201 51 E HN 0.837 nan 8.360 nan 0.000 0.425 52 A N 3.212 126.079 122.820 0.077 0.000 2.410 52 A HA 0.585 4.905 4.320 0.001 0.000 0.289 52 A C -0.912 176.780 177.584 0.179 0.000 1.200 52 A CA -0.431 51.681 52.037 0.125 0.000 0.751 52 A CB 1.582 20.680 19.000 0.162 0.000 1.161 52 A HN 0.454 nan 8.150 nan 0.000 0.459 53 T N 1.081 115.753 114.554 0.196 0.000 2.907 53 T HA 0.776 5.127 4.350 0.001 0.000 0.292 53 T C -0.045 174.840 174.700 0.308 0.000 1.043 53 T CA -0.285 61.930 62.100 0.193 0.000 1.003 53 T CB 1.941 70.873 68.868 0.106 0.000 1.084 53 T HN 0.751 nan 8.240 nan 0.000 0.483 54 T N 0.779 115.469 114.554 0.226 0.000 2.645 54 T HA 0.814 5.165 4.350 0.001 0.000 0.273 54 T C -1.528 173.258 174.700 0.143 0.000 0.960 54 T CA -0.645 61.593 62.100 0.230 0.000 1.051 54 T CB 0.775 69.674 68.868 0.051 0.000 1.366 54 T HN 0.474 nan 8.240 nan 0.000 0.536 55 I N 0.832 121.496 120.570 0.156 0.000 2.498 55 I HA 0.531 4.701 4.170 0.001 0.000 0.290 55 I C 0.900 177.193 176.117 0.292 0.000 1.032 55 I CA -0.537 60.871 61.300 0.181 0.000 1.073 55 I CB 1.928 39.990 38.000 0.105 0.000 1.251 55 I HN 0.967 nan 8.210 nan 0.000 0.426 56 G N 4.206 113.130 108.800 0.206 0.000 2.273 56 G HA2 -0.052 3.908 3.960 0.001 0.000 0.280 56 G HA3 -0.052 3.908 3.960 0.001 0.000 0.280 56 G C 0.888 175.796 174.900 0.012 0.000 1.047 56 G CA 0.671 45.849 45.100 0.131 0.000 0.869 56 G HN 1.539 nan 8.290 nan 0.000 0.502 57 G N -0.643 108.166 108.800 0.016 0.000 2.815 57 G HA2 -0.334 3.627 3.960 0.001 0.000 0.326 57 G HA3 -0.334 3.627 3.960 0.001 0.000 0.326 57 G C 0.945 175.807 174.900 -0.062 0.000 1.191 57 G CA 0.906 45.991 45.100 -0.025 0.000 0.965 57 G HN 1.381 nan 8.290 nan 0.000 0.564 58 L N 1.259 122.427 121.223 -0.092 0.000 2.959 58 L HA 0.306 4.647 4.340 0.001 0.000 0.259 58 L C 2.235 179.003 176.870 -0.170 0.000 1.185 58 L CA 0.666 55.438 54.840 -0.113 0.000 0.998 58 L CB 0.915 42.919 42.059 -0.091 0.000 1.337 58 L HN 0.384 nan 8.230 nan 0.000 0.555 59 S N -0.491 115.049 115.700 -0.268 0.000 2.453 59 S HA -0.032 4.439 4.470 0.001 0.000 0.231 59 S C 1.180 175.331 174.600 -0.747 0.000 1.005 59 S CA 1.121 59.000 58.200 -0.535 0.000 0.949 59 S CB 0.009 62.765 63.200 -0.740 0.000 0.774 59 S HN 0.440 nan 8.310 nan 0.000 0.510 60 Y N 0.039 120.314 120.300 -0.041 0.000 2.452 60 Y HA 0.462 5.012 4.550 0.000 0.000 0.262 60 Y C 1.181 177.052 175.900 -0.049 0.000 1.089 60 Y CA -0.386 57.692 58.100 -0.038 0.000 1.262 60 Y CB 0.237 38.687 38.460 -0.018 0.000 1.236 60 Y HN 0.195 nan 8.280 nan 0.000 0.512 61 G N -0.488 108.323 108.800 0.017 0.000 2.642 61 G HA2 0.442 4.402 3.960 0.001 0.000 0.293 61 G HA3 0.442 4.402 3.960 0.001 0.000 0.293 61 G C 0.147 174.970 174.900 -0.129 0.000 1.341 61 G CA -0.126 44.935 45.100 -0.065 0.000 0.916 61 G HN 0.005 nan 8.290 nan 0.000 0.474 62 V N -2.539 117.295 119.914 -0.134 0.000 3.461 62 V HA 0.300 4.420 4.120 0.001 0.000 0.267 62 V C 0.414 176.412 176.094 -0.160 0.000 1.186 62 V CA 0.704 62.934 62.300 -0.116 0.000 1.154 62 V CB -0.749 31.033 31.823 -0.068 0.000 0.802 62 V HN 0.525 nan 8.190 nan 0.000 0.474 63 E N 2.220 122.246 120.200 -0.290 0.000 2.113 63 E HA 0.497 4.847 4.350 0.001 0.000 0.273 63 E C -0.081 176.336 176.600 -0.304 0.000 0.924 63 E CA -0.052 56.159 56.400 -0.316 0.000 0.764 63 E CB 1.577 30.994 29.700 -0.471 0.000 1.104 63 E HN 0.667 nan 8.360 nan 0.000 0.406 64 S N 2.219 117.825 115.700 -0.157 0.000 2.672 64 S HA 0.324 4.795 4.470 0.001 0.000 0.276 64 S C -1.978 172.590 174.600 -0.054 0.000 1.207 64 S CA -1.384 56.757 58.200 -0.098 0.000 1.002 64 S CB 1.600 64.767 63.200 -0.055 0.000 0.998 64 S HN 0.135 nan 8.310 nan 0.000 0.542 65 P HA -0.145 nan 4.420 nan 0.000 0.216 65 P C 1.427 178.745 177.300 0.030 0.000 1.150 65 P CA 1.244 64.359 63.100 0.026 0.000 0.837 65 P CB -0.006 31.718 31.700 0.040 0.000 0.786 66 E N -0.260 119.953 120.200 0.022 0.000 2.152 66 E HA -0.067 4.283 4.350 0.001 0.000 0.192 66 E C 1.903 178.526 176.600 0.038 0.000 0.983 66 E CA 1.339 57.758 56.400 0.032 0.000 0.818 66 E CB -1.213 28.504 29.700 0.029 0.000 0.758 66 E HN 0.167 nan 8.360 nan 0.000 0.467 67 A N 1.616 124.449 122.820 0.021 0.000 1.929 67 A HA 0.033 4.354 4.320 0.001 0.000 0.216 67 A C 2.355 179.967 177.584 0.046 0.000 1.176 67 A CA 0.664 52.719 52.037 0.030 0.000 0.628 67 A CB -0.552 18.445 19.000 -0.005 0.000 0.816 67 A HN 0.166 nan 8.150 nan 0.000 0.444 68 I N -0.757 119.832 120.570 0.032 0.000 2.179 68 I HA -0.218 3.953 4.170 0.001 0.000 0.242 68 I C 2.841 178.996 176.117 0.063 0.000 1.088 68 I CA 1.526 62.861 61.300 0.059 0.000 1.357 68 I CB -0.237 37.809 38.000 0.077 0.000 1.051 68 I HN 0.397 nan 8.210 nan 0.000 0.409 69 S N -0.140 115.589 115.700 0.048 0.000 2.370 69 S HA -0.243 4.227 4.470 0.001 0.000 0.226 69 S C 2.287 176.895 174.600 0.014 0.000 1.033 69 S CA 2.073 60.285 58.200 0.021 0.000 1.011 69 S CB -0.351 62.861 63.200 0.019 0.000 0.852 69 S HN 0.481 nan 8.310 nan 0.000 0.457 70 S N 0.750 116.492 115.700 0.070 0.000 2.368 70 S HA -0.033 4.438 4.470 0.001 0.000 0.225 70 S C 2.102 176.823 174.600 0.202 0.000 1.030 70 S CA 1.501 59.795 58.200 0.157 0.000 0.999 70 S CB -0.832 62.500 63.200 0.220 0.000 0.844 70 S HN 0.698 nan 8.310 nan 0.000 0.459 71 A N 1.417 124.354 122.820 0.195 0.000 1.908 71 A HA -0.007 4.313 4.320 0.001 0.000 0.218 71 A C 2.154 179.844 177.584 0.178 0.000 1.181 71 A CA 1.597 53.787 52.037 0.256 0.000 0.627 71 A CB -0.799 18.292 19.000 0.153 0.000 0.818 71 A HN 0.644 nan 8.150 nan 0.000 0.445 72 I N -0.701 119.912 120.570 0.072 0.000 2.142 72 I HA -0.223 3.948 4.170 0.001 0.000 0.240 72 I C 2.650 178.729 176.117 -0.063 0.000 1.078 72 I CA 1.833 63.137 61.300 0.007 0.000 1.343 72 I CB -0.736 37.248 38.000 -0.028 0.000 1.046 72 I HN 0.269 nan 8.210 nan 0.000 0.405 73 T N -0.675 113.792 114.554 -0.146 0.000 2.701 73 T HA -0.157 4.193 4.350 0.001 0.000 0.263 73 T C 1.841 176.321 174.700 -0.367 0.000 1.040 73 T CA 1.291 63.208 62.100 -0.305 0.000 1.147 73 T CB -0.330 68.250 68.868 -0.480 0.000 0.865 73 T HN 0.338 nan 8.240 nan 0.000 0.426 74 H N -0.941 118.010 119.070 -0.199 0.000 2.512 74 H HA 0.128 4.685 4.556 0.000 0.000 0.279 74 H C 1.336 176.240 175.328 -0.707 0.000 0.999 74 H CA 0.924 56.690 56.048 -0.471 0.000 1.283 74 H CB 0.182 29.563 29.762 -0.635 0.000 1.421 74 H HN 0.447 nan 8.280 nan 0.000 0.554 75 Y N -0.600 119.749 120.300 0.082 0.000 2.697 75 Y HA 0.125 4.675 4.550 0.001 0.000 0.268 75 Y C 2.495 178.406 175.900 0.018 0.000 1.092 75 Y CA -0.168 57.961 58.100 0.048 0.000 1.304 75 Y CB -0.248 38.242 38.460 0.049 0.000 1.446 75 Y HN -0.129 nan 8.280 nan 0.000 0.491 76 L N -0.360 120.957 121.223 0.157 0.000 2.093 76 L HA -0.167 4.173 4.340 0.001 0.000 0.208 76 L C 2.111 178.997 176.870 0.026 0.000 1.085 76 L CA 1.714 56.602 54.840 0.080 0.000 0.755 76 L CB -0.677 41.419 42.059 0.062 0.000 0.904 76 L HN 0.274 nan 8.230 nan 0.000 0.435 77 T N 0.300 114.847 114.554 -0.011 0.000 2.674 77 T HA -0.082 4.268 4.350 0.001 0.000 0.265 77 T C -0.522 174.161 174.700 -0.028 0.000 1.039 77 T CA 1.559 63.635 62.100 -0.040 0.000 1.150 77 T CB -1.134 67.684 68.868 -0.084 0.000 0.864 77 T HN 0.296 nan 8.240 nan 0.000 0.427 78 P HA 0.012 nan 4.420 nan 0.000 0.223 78 P C 1.683 178.986 177.300 0.005 0.000 1.151 78 P CA 0.615 63.703 63.100 -0.019 0.000 0.787 78 P CB -0.138 31.543 31.700 -0.031 0.000 0.788 79 L N -0.438 120.800 121.223 0.024 0.000 2.109 79 L HA -0.013 4.327 4.340 0.001 0.000 0.207 79 L C 2.061 178.943 176.870 0.020 0.000 1.086 79 L CA 1.618 56.479 54.840 0.035 0.000 0.760 79 L CB -1.076 41.019 42.059 0.059 0.000 0.910 79 L HN -0.040 nan 8.230 nan 0.000 0.437 80 L N -0.453 120.777 121.223 0.013 0.000 2.513 80 L HA 0.057 4.397 4.340 0.001 0.000 0.222 80 L C 1.102 177.971 176.870 -0.002 0.000 1.096 80 L CA -0.081 54.762 54.840 0.006 0.000 0.857 80 L CB -0.115 41.947 42.059 0.004 0.000 1.026 80 L HN 0.108 nan 8.230 nan 0.000 0.469 81 K N 1.026 121.422 120.400 -0.007 0.000 2.436 81 K HA 0.174 4.494 4.320 0.001 0.000 0.282 81 K C 1.014 177.610 176.600 -0.006 0.000 1.044 81 K CA 0.993 57.273 56.287 -0.011 0.000 1.028 81 K CB 0.254 32.744 32.500 -0.017 0.000 0.919 81 K HN 0.234 nan 8.250 nan 0.000 0.474 82 G N 2.551 111.348 108.800 -0.005 0.000 2.213 82 G HA2 -0.201 3.759 3.960 0.001 0.000 0.226 82 G HA3 -0.201 3.759 3.960 0.001 0.000 0.226 82 G C -0.220 174.680 174.900 -0.001 0.000 0.992 82 G CA -0.355 44.743 45.100 -0.003 0.000 0.632 82 G HN 0.572 nan 8.290 nan 0.000 0.511 83 Q N 0.791 120.591 119.800 -0.001 0.000 2.260 83 Q HA 0.407 4.747 4.340 0.001 0.000 0.242 83 Q C -2.551 173.448 176.000 -0.001 0.000 0.932 83 Q CA -1.861 53.942 55.803 0.001 0.000 0.891 83 Q CB 0.850 29.590 28.738 0.003 0.000 1.222 83 Q HN 0.164 nan 8.270 nan 0.000 0.453 84 P HA -0.024 nan 4.420 nan 0.000 0.262 84 P C -0.237 177.062 177.300 -0.003 0.000 1.199 84 P CA 0.413 63.512 63.100 -0.002 0.000 0.763 84 P CB 0.489 32.188 31.700 -0.001 0.000 0.790 85 A N 3.796 126.614 122.820 -0.005 0.000 2.119 85 A HA -0.105 4.216 4.320 0.001 0.000 0.217 85 A C 1.477 179.055 177.584 -0.009 0.000 1.153 85 A CA 1.278 53.311 52.037 -0.006 0.000 0.692 85 A CB -0.429 18.567 19.000 -0.007 0.000 0.799 85 A HN 0.420 nan 8.150 nan 0.000 0.458 86 D N -0.474 119.921 120.400 -0.008 0.000 2.350 86 D HA -0.019 4.621 4.640 0.001 0.000 0.213 86 D C 0.056 176.350 176.300 -0.010 0.000 1.031 86 D CA 0.115 54.109 54.000 -0.011 0.000 0.861 86 D CB -0.025 40.769 40.800 -0.010 0.000 0.926 86 D HN 0.233 nan 8.370 nan 0.000 0.520 87 N N 1.950 120.646 118.700 -0.007 0.000 3.034 87 N HA 0.005 4.745 4.740 0.001 0.000 0.265 87 N C 1.086 176.593 175.510 -0.005 0.000 1.166 87 N CA -0.201 52.846 53.050 -0.005 0.000 1.081 87 N CB 0.621 39.107 38.487 -0.002 0.000 1.378 87 N HN 0.009 nan 8.380 nan 0.000 0.520 88 L N 3.292 124.510 121.223 -0.008 0.000 2.079 88 L HA -0.110 4.230 4.340 0.001 0.000 0.210 88 L C 1.569 178.437 176.870 -0.003 0.000 1.081 88 L CA 1.672 56.507 54.840 -0.008 0.000 0.752 88 L CB -0.422 41.630 42.059 -0.013 0.000 0.896 88 L HN 0.411 nan 8.230 nan 0.000 0.433 89 N N -0.090 118.609 118.700 -0.002 0.000 2.120 89 N HA -0.119 4.621 4.740 0.001 0.000 0.188 89 N C 1.812 177.325 175.510 0.005 0.000 1.024 89 N CA 1.576 54.627 53.050 0.001 0.000 0.852 89 N CB -0.423 38.064 38.487 0.001 0.000 1.003 89 N HN 0.504 nan 8.380 nan 0.000 0.424 90 A N 1.245 124.068 122.820 0.004 0.000 1.898 90 A HA -0.005 4.315 4.320 0.001 0.000 0.216 90 A C 2.403 179.992 177.584 0.008 0.000 1.181 90 A CA 0.785 52.826 52.037 0.006 0.000 0.620 90 A CB -0.673 18.329 19.000 0.004 0.000 0.819 90 A HN 0.186 nan 8.150 nan 0.000 0.442 91 L N -0.700 120.527 121.223 0.006 0.000 2.046 91 L HA -0.156 4.184 4.340 0.001 0.000 0.208 91 L C 2.761 179.638 176.870 0.012 0.000 1.077 91 L CA 1.746 56.590 54.840 0.007 0.000 0.747 91 L CB -0.927 41.134 42.059 0.003 0.000 0.896 91 L HN 0.334 nan 8.230 nan 0.000 0.432 92 T N -0.107 114.453 114.554 0.011 0.000 2.777 92 T HA -0.140 4.211 4.350 0.001 0.000 0.266 92 T C 2.039 176.753 174.700 0.023 0.000 1.040 92 T CA 1.261 63.370 62.100 0.016 0.000 1.141 92 T CB -0.222 68.653 68.868 0.012 0.000 0.868 92 T HN 0.436 nan 8.240 nan 0.000 0.444 93 A N 1.667 124.499 122.820 0.020 0.000 1.902 93 A HA -0.112 4.208 4.320 0.001 0.000 0.217 93 A C 2.306 179.904 177.584 0.024 0.000 1.181 93 A CA 1.770 53.822 52.037 0.024 0.000 0.623 93 A CB -0.586 18.426 19.000 0.019 0.000 0.818 93 A HN 0.407 nan 8.150 nan 0.000 0.443 94 R N -0.955 119.557 120.500 0.020 0.000 2.073 94 R HA -0.101 4.239 4.340 0.001 0.000 0.234 94 R C 2.214 178.529 176.300 0.025 0.000 1.134 94 R CA 1.865 57.977 56.100 0.021 0.000 0.952 94 R CB -0.317 29.994 30.300 0.018 0.000 0.850 94 R HN 0.569 nan 8.270 nan 0.000 0.433 95 M N 0.460 120.075 119.600 0.026 0.000 2.067 95 M HA -0.170 4.311 4.480 0.001 0.000 0.260 95 M C 1.773 178.092 176.300 0.030 0.000 1.069 95 M CA 1.599 56.917 55.300 0.030 0.000 1.117 95 M CB -0.316 32.302 32.600 0.030 0.000 1.334 95 M HN 0.136 nan 8.290 nan 0.000 0.407 96 N N 0.230 118.950 118.700 0.034 0.000 2.331 96 N HA -0.050 4.690 4.740 0.001 0.000 0.180 96 N C 1.738 177.265 175.510 0.027 0.000 1.019 96 N CA 1.427 54.500 53.050 0.038 0.000 0.881 96 N CB -0.532 37.990 38.487 0.059 0.000 0.972 96 N HN 0.451 nan 8.380 nan 0.000 0.435 97 G N 0.040 108.855 108.800 0.024 0.000 2.421 97 G HA2 -0.014 3.946 3.960 0.001 0.000 0.217 97 G HA3 -0.014 3.946 3.960 0.001 0.000 0.217 97 G C 1.428 176.334 174.900 0.009 0.000 1.143 97 G CA 0.836 45.946 45.100 0.016 0.000 0.784 97 G HN 0.414 nan 8.290 nan 0.000 0.541 98 A N -0.501 122.327 122.820 0.014 0.000 2.115 98 A HA 0.490 4.811 4.320 0.001 0.000 0.211 98 A C 0.493 178.074 177.584 -0.005 0.000 1.169 98 A CA 0.292 52.336 52.037 0.012 0.000 0.787 98 A CB 0.328 19.346 19.000 0.030 0.000 0.858 98 A HN 0.188 nan 8.150 nan 0.000 0.474 99 I N 1.232 121.800 120.570 -0.004 0.000 2.418 99 I HA 0.337 4.508 4.170 0.001 0.000 0.287 99 I C -0.908 175.195 176.117 -0.023 0.000 1.008 99 I CA -0.915 60.368 61.300 -0.028 0.000 1.104 99 I CB 1.397 39.396 38.000 -0.002 0.000 1.264 99 I HN -0.029 nan 8.210 nan 0.000 0.438 100 K N 3.792 124.164 120.400 -0.047 0.000 2.249 100 K HA 0.532 4.852 4.320 0.001 0.000 0.280 100 K C 0.898 177.486 176.600 -0.020 0.000 1.033 100 K CA 0.215 56.482 56.287 -0.033 0.000 0.946 100 K CB 1.128 33.599 32.500 -0.049 0.000 1.005 100 K HN 0.882 nan 8.250 nan 0.000 0.469 101 G N 3.228 112.032 108.800 0.006 0.000 2.596 101 G HA2 -0.403 3.557 3.960 0.001 0.000 0.295 101 G HA3 -0.403 3.557 3.960 0.001 0.000 0.295 101 G C -0.112 174.816 174.900 0.047 0.000 1.240 101 G CA 0.355 45.472 45.100 0.029 0.000 0.985 101 G HN 0.841 nan 8.290 nan 0.000 0.555 102 N N -0.052 118.683 118.700 0.058 0.000 2.727 102 N HA -0.253 4.487 4.740 0.001 0.000 0.249 102 N C 1.555 177.146 175.510 0.136 0.000 1.048 102 N CA 1.920 55.021 53.050 0.085 0.000 0.714 102 N CB -1.348 37.168 38.487 0.049 0.000 0.959 102 N HN 1.504 nan 8.380 nan 0.000 0.544 103 T N -3.629 111.032 114.554 0.179 0.000 2.881 103 T HA -0.098 4.253 4.350 0.001 0.000 0.270 103 T C 1.555 176.353 174.700 0.164 0.000 1.068 103 T CA 0.866 63.058 62.100 0.153 0.000 1.131 103 T CB -0.367 68.581 68.868 0.132 0.000 0.871 103 T HN 0.344 nan 8.240 nan 0.000 0.479 104 F N 1.999 121.961 119.950 0.020 0.000 2.113 104 F HA 0.124 4.651 4.527 0.000 0.000 0.297 104 F C 3.039 178.850 175.800 0.019 0.000 1.103 104 F CA 0.815 58.827 58.000 0.020 0.000 1.248 104 F CB -0.511 38.502 39.000 0.023 0.000 0.999 104 F HN 0.246 nan 8.300 nan 0.000 0.475 105 A N 0.147 123.097 122.820 0.218 0.000 1.898 105 A HA -0.196 4.125 4.320 0.001 0.000 0.216 105 A C 2.105 179.736 177.584 0.077 0.000 1.181 105 A CA 1.610 53.721 52.037 0.124 0.000 0.620 105 A CB -0.578 18.485 19.000 0.106 0.000 0.819 105 A HN 0.305 nan 8.150 nan 0.000 0.442 106 K N -0.373 120.070 120.400 0.072 0.000 2.097 106 K HA -0.111 4.209 4.320 0.001 0.000 0.206 106 K C 2.409 179.018 176.600 0.014 0.000 1.049 106 K CA 1.334 57.645 56.287 0.041 0.000 0.933 106 K CB -0.222 32.303 32.500 0.042 0.000 0.717 106 K HN 0.443 nan 8.250 nan 0.000 0.442 107 S N 0.648 116.347 115.700 -0.001 0.000 2.368 107 S HA -0.158 4.312 4.470 0.001 0.000 0.225 107 S C 2.059 176.639 174.600 -0.033 0.000 1.030 107 S CA 1.256 59.429 58.200 -0.045 0.000 0.999 107 S CB -0.183 62.949 63.200 -0.113 0.000 0.844 107 S HN 0.380 nan 8.310 nan 0.000 0.459 108 A N 1.839 124.658 122.820 -0.003 0.000 1.902 108 A HA 0.010 4.331 4.320 0.001 0.000 0.217 108 A C 2.087 179.673 177.584 0.003 0.000 1.181 108 A CA 1.448 53.490 52.037 0.008 0.000 0.623 108 A CB -0.659 18.363 19.000 0.037 0.000 0.818 108 A HN 0.556 nan 8.150 nan 0.000 0.443 109 I N -0.050 120.524 120.570 0.006 0.000 2.142 109 I HA -0.218 3.952 4.170 0.001 0.000 0.240 109 I C 2.434 178.546 176.117 -0.009 0.000 1.078 109 I CA 1.860 63.160 61.300 0.000 0.000 1.343 109 I CB -1.533 36.471 38.000 0.006 0.000 1.046 109 I HN 0.560 nan 8.210 nan 0.000 0.405 110 E N 0.544 120.735 120.200 -0.014 0.000 2.085 110 E HA -0.222 4.129 4.350 0.001 0.000 0.194 110 E C 2.070 178.648 176.600 -0.037 0.000 0.994 110 E CA 2.110 58.495 56.400 -0.024 0.000 0.801 110 E CB 0.120 29.803 29.700 -0.028 0.000 0.743 110 E HN 0.415 nan 8.360 nan 0.000 0.453 111 T N 0.464 114.993 114.554 -0.042 0.000 2.684 111 T HA -0.175 4.176 4.350 0.001 0.000 0.267 111 T C 1.846 176.522 174.700 -0.040 0.000 1.036 111 T CA 1.438 63.507 62.100 -0.052 0.000 1.148 111 T CB -0.345 68.494 68.868 -0.049 0.000 0.863 111 T HN 0.351 nan 8.240 nan 0.000 0.436 112 A N 1.053 123.860 122.820 -0.021 0.000 1.902 112 A HA 0.008 4.328 4.320 0.001 0.000 0.217 112 A C 2.316 179.888 177.584 -0.020 0.000 1.181 112 A CA 1.204 53.234 52.037 -0.011 0.000 0.623 112 A CB -0.859 18.144 19.000 0.004 0.000 0.818 112 A HN 0.476 nan 8.150 nan 0.000 0.443 113 L N -0.796 120.413 121.223 -0.022 0.000 2.046 113 L HA -0.192 4.149 4.340 0.001 0.000 0.208 113 L C 2.567 179.415 176.870 -0.036 0.000 1.077 113 L CA 1.153 55.979 54.840 -0.024 0.000 0.747 113 L CB -0.481 41.566 42.059 -0.021 0.000 0.896 113 L HN 0.379 nan 8.230 nan 0.000 0.432 114 L N -0.639 120.554 121.223 -0.050 0.000 2.056 114 L HA -0.218 4.122 4.340 0.001 0.000 0.207 114 L C 2.278 179.096 176.870 -0.086 0.000 1.078 114 L CA 1.154 55.951 54.840 -0.072 0.000 0.749 114 L CB -0.516 41.487 42.059 -0.092 0.000 0.901 114 L HN 0.284 nan 8.230 nan 0.000 0.433 115 D N 0.224 120.578 120.400 -0.078 0.000 2.092 115 D HA -0.206 4.435 4.640 0.001 0.000 0.193 115 D C 2.149 178.417 176.300 -0.053 0.000 0.994 115 D CA 1.626 55.582 54.000 -0.074 0.000 0.828 115 D CB 0.109 40.882 40.800 -0.045 0.000 0.963 115 D HN 0.235 nan 8.370 nan 0.000 0.450 116 A N 0.094 122.893 122.820 -0.035 0.000 1.877 116 A HA -0.223 4.097 4.320 0.001 0.000 0.216 116 A C 2.239 179.806 177.584 -0.029 0.000 1.186 116 A CA 2.009 54.032 52.037 -0.023 0.000 0.620 116 A CB -0.932 18.059 19.000 -0.014 0.000 0.822 116 A HN 0.445 nan 8.150 nan 0.000 0.443 117 Q N -0.681 119.098 119.800 -0.035 0.000 2.124 117 Q HA -0.091 4.249 4.340 0.001 0.000 0.202 117 Q C 1.997 177.972 176.000 -0.042 0.000 0.977 117 Q CA 1.541 57.323 55.803 -0.035 0.000 0.850 117 Q CB -0.505 28.212 28.738 -0.036 0.000 0.901 117 Q HN 0.580 nan 8.270 nan 0.000 0.429 118 G N 0.725 109.489 108.800 -0.060 0.000 2.422 118 G HA2 -0.232 3.728 3.960 0.001 0.000 0.218 118 G HA3 -0.232 3.728 3.960 0.001 0.000 0.218 118 G C 1.281 176.153 174.900 -0.048 0.000 1.146 118 G CA 0.715 45.774 45.100 -0.068 0.000 0.769 118 G HN 0.280 nan 8.290 nan 0.000 0.547 119 K N 0.470 120.846 120.400 -0.040 0.000 2.097 119 K HA 0.116 4.436 4.320 0.001 0.000 0.205 119 K C 2.909 179.498 176.600 -0.020 0.000 1.050 119 K CA 0.851 57.122 56.287 -0.026 0.000 0.938 119 K CB -0.154 32.334 32.500 -0.020 0.000 0.718 119 K HN 0.257 nan 8.250 nan 0.000 0.442 120 A N 1.009 123.817 122.820 -0.020 0.000 1.972 120 A HA -0.092 4.229 4.320 0.001 0.000 0.219 120 A C 1.892 179.467 177.584 -0.015 0.000 1.169 120 A CA 1.250 53.278 52.037 -0.015 0.000 0.635 120 A CB -0.326 18.666 19.000 -0.015 0.000 0.810 120 A HN 0.178 nan 8.150 nan 0.000 0.446 121 L N -1.622 119.589 121.223 -0.020 0.000 2.585 121 L HA 0.262 4.603 4.340 0.001 0.000 0.226 121 L C 1.449 178.309 176.870 -0.017 0.000 1.113 121 L CA 0.423 55.252 54.840 -0.018 0.000 0.876 121 L CB 0.023 42.070 42.059 -0.021 0.000 1.072 121 L HN 0.529 nan 8.230 nan 0.000 0.468 122 G N 1.367 110.156 108.800 -0.019 0.000 2.225 122 G HA2 -0.262 3.699 3.960 0.001 0.000 0.264 122 G HA3 -0.262 3.699 3.960 0.001 0.000 0.264 122 G C -0.247 174.642 174.900 -0.018 0.000 1.060 122 G CA 0.070 45.160 45.100 -0.016 0.000 0.833 122 G HN 0.231 nan 8.290 nan 0.000 0.498 123 L N 0.363 121.569 121.223 -0.028 0.000 2.401 123 L HA 0.578 4.919 4.340 0.001 0.000 0.266 123 L C -2.029 174.808 176.870 -0.055 0.000 0.991 123 L CA -2.592 52.229 54.840 -0.032 0.000 0.818 123 L CB 2.927 44.967 42.059 -0.031 0.000 1.321 123 L HN -0.074 nan 8.230 nan 0.000 0.413 124 P HA 0.072 nan 4.420 nan 0.000 0.274 124 P C 0.841 178.017 177.300 -0.207 0.000 1.237 124 P CA -0.344 62.699 63.100 -0.094 0.000 0.793 124 P CB 1.502 33.233 31.700 0.051 0.000 0.977 125 V N 1.773 121.374 119.914 -0.521 0.000 2.380 125 V HA -0.278 3.842 4.120 0.001 0.000 0.251 125 V C 2.758 178.733 176.094 -0.198 0.000 1.063 125 V CA 2.918 64.952 62.300 -0.444 0.000 1.055 125 V CB -1.756 29.673 31.823 -0.656 0.000 0.657 125 V HN 0.743 nan 8.190 nan 0.000 0.455 126 S N 1.210 116.899 115.700 -0.019 0.000 2.383 126 S HA -0.204 4.266 4.470 0.001 0.000 0.229 126 S C 2.077 176.699 174.600 0.037 0.000 1.030 126 S CA 1.447 59.716 58.200 0.116 0.000 1.002 126 S CB -0.604 62.731 63.200 0.226 0.000 0.829 126 S HN 0.621 nan 8.310 nan 0.000 0.467 127 A N 1.295 124.122 122.820 0.012 0.000 1.969 127 A HA 0.204 4.525 4.320 0.001 0.000 0.218 127 A C 2.146 179.721 177.584 -0.014 0.000 1.169 127 A CA 1.104 53.142 52.037 0.001 0.000 0.635 127 A CB -0.683 18.315 19.000 -0.004 0.000 0.810 127 A HN 0.454 nan 8.150 nan 0.000 0.445 128 L N -0.485 120.717 121.223 -0.036 0.000 2.201 128 L HA -0.001 4.339 4.340 0.001 0.000 0.212 128 L C 1.797 178.652 176.870 -0.024 0.000 1.105 128 L CA 1.298 56.115 54.840 -0.038 0.000 0.775 128 L CB -0.491 41.530 42.059 -0.064 0.000 0.913 128 L HN 0.367 nan 8.230 nan 0.000 0.440 129 L N -1.296 119.916 121.223 -0.017 0.000 2.645 129 L HA 0.260 4.600 4.340 0.001 0.000 0.234 129 L C 1.372 178.249 176.870 0.012 0.000 1.165 129 L CA 0.555 55.394 54.840 -0.001 0.000 0.944 129 L CB -0.582 41.481 42.059 0.006 0.000 1.149 129 L HN 0.455 nan 8.230 nan 0.000 0.446 130 G N -0.632 108.173 108.800 0.008 0.000 2.213 130 G HA2 -0.079 3.881 3.960 0.001 0.000 0.226 130 G HA3 -0.079 3.881 3.960 0.001 0.000 0.226 130 G C 0.512 175.422 174.900 0.016 0.000 0.992 130 G CA -0.287 44.820 45.100 0.012 0.000 0.632 130 G HN 0.851 nan 8.290 nan 0.000 0.511 131 G N -1.009 107.804 108.800 0.021 0.000 2.742 131 G HA2 0.545 4.505 3.960 0.001 0.000 0.686 131 G HA3 0.545 4.505 3.960 0.001 0.000 0.686 131 G C -0.121 174.800 174.900 0.034 0.000 1.220 131 G CA 0.796 45.911 45.100 0.025 0.000 0.783 131 G HN 2.112 nan 8.290 nan 0.000 0.646 132 A N 1.093 123.935 122.820 0.036 0.000 2.366 132 A HA 0.709 5.030 4.320 0.001 0.000 0.272 132 A C 1.282 178.882 177.584 0.026 0.000 1.135 132 A CA -0.180 51.879 52.037 0.037 0.000 0.804 132 A CB 0.650 19.670 19.000 0.034 0.000 1.064 132 A HN 1.264 nan 8.150 nan 0.000 0.499 133 L N 0.683 121.923 121.223 0.029 0.000 2.270 133 L HA 0.063 4.403 4.340 0.001 0.000 0.210 133 L C 1.252 178.130 176.870 0.013 0.000 1.104 133 L CA 1.485 56.337 54.840 0.020 0.000 0.804 133 L CB -0.793 41.280 42.059 0.023 0.000 0.937 133 L HN 0.882 nan 8.230 nan 0.000 0.450 134 Q N -2.921 116.887 119.800 0.013 0.000 2.435 134 Q HA 0.431 4.772 4.340 0.001 0.000 0.282 134 Q C -0.263 175.734 176.000 -0.006 0.000 1.020 134 Q CA -0.085 55.720 55.803 0.003 0.000 0.820 134 Q CB 1.047 29.787 28.738 0.003 0.000 1.436 134 Q HN 0.009 nan 8.270 nan 0.000 0.395 135 T N -2.653 111.891 114.554 -0.018 0.000 3.085 135 T HA 0.598 4.948 4.350 0.001 0.000 0.264 135 T C 0.232 174.900 174.700 -0.053 0.000 1.019 135 T CA 0.280 62.357 62.100 -0.037 0.000 0.910 135 T CB 0.468 69.317 68.868 -0.032 0.000 1.059 135 T HN 0.693 nan 8.240 nan 0.000 0.542 136 A N 1.810 124.607 122.820 -0.037 0.000 2.357 136 A HA 0.752 5.073 4.320 0.001 0.000 0.295 136 A C -0.706 176.866 177.584 -0.020 0.000 1.121 136 A CA -0.809 51.203 52.037 -0.041 0.000 0.742 136 A CB 0.943 19.925 19.000 -0.030 0.000 1.181 136 A HN 0.466 nan 8.150 nan 0.000 0.454 137 L N 3.896 125.108 121.223 -0.018 0.000 2.334 137 L HA 0.554 4.894 4.340 0.001 0.000 0.276 137 L C -2.212 174.684 176.870 0.042 0.000 1.014 137 L CA -2.313 52.539 54.840 0.020 0.000 0.815 137 L CB 2.482 44.569 42.059 0.047 0.000 1.268 137 L HN 0.489 nan 8.230 nan 0.000 0.428 138 P HA 0.147 nan 4.420 nan 0.000 0.275 138 P C -0.998 176.375 177.300 0.122 0.000 1.227 138 P CA -0.190 62.953 63.100 0.073 0.000 0.781 138 P CB 1.739 33.470 31.700 0.051 0.000 0.906 139 V N 4.283 124.299 119.914 0.169 0.000 2.482 139 V HA 0.178 4.299 4.120 0.001 0.000 0.295 139 V C 0.558 176.812 176.094 0.266 0.000 1.026 139 V CA -0.760 61.697 62.300 0.262 0.000 0.856 139 V CB 1.392 33.451 31.823 0.394 0.000 1.001 139 V HN 0.441 nan 8.190 nan 0.000 0.424 140 L N 1.825 123.225 121.223 0.295 0.000 2.488 140 L HA 0.682 5.022 4.340 0.001 0.000 0.249 140 L C -0.304 176.789 176.870 0.373 0.000 1.151 140 L CA -0.449 54.536 54.840 0.242 0.000 0.806 140 L CB 0.529 42.715 42.059 0.212 0.000 1.261 140 L HN 0.736 nan 8.230 nan 0.000 0.484 141 W N -0.215 121.082 121.300 -0.005 0.000 2.819 141 W HA 0.540 5.200 4.660 0.000 0.000 0.337 141 W C -1.360 175.103 176.519 -0.093 0.000 1.077 141 W CA -0.691 56.547 57.345 -0.179 0.000 1.226 141 W CB 2.284 31.736 29.460 -0.013 0.000 1.419 141 W HN 0.553 nan 8.180 nan 0.000 0.502 142 T N 5.841 119.670 114.554 -1.208 0.000 2.837 142 T HA 0.457 4.808 4.350 0.001 0.000 0.285 142 T C -0.187 174.065 174.700 -0.747 0.000 0.984 142 T CA -0.368 61.308 62.100 -0.705 0.000 1.049 142 T CB 0.965 69.527 68.868 -0.510 0.000 0.947 142 T HN 0.221 nan 8.240 nan 0.000 0.472 143 L N 2.845 123.896 121.223 -0.286 0.000 2.294 143 L HA 0.676 5.017 4.340 0.001 0.000 0.283 143 L C 0.374 177.190 176.870 -0.090 0.000 1.015 143 L CA -0.720 54.021 54.840 -0.164 0.000 0.831 143 L CB 1.121 43.129 42.059 -0.085 0.000 1.217 143 L HN 0.805 nan 8.230 nan 0.000 0.420 144 A N 1.052 123.814 122.820 -0.096 0.000 2.958 144 A HA 0.190 4.510 4.320 0.001 0.000 0.214 144 A C 1.029 178.588 177.584 -0.041 0.000 0.902 144 A CA 0.115 52.119 52.037 -0.055 0.000 1.136 144 A CB 0.151 19.098 19.000 -0.089 0.000 1.250 144 A HN 0.660 nan 8.150 nan 0.000 0.497 145 S N -1.085 114.608 115.700 -0.011 0.000 2.453 145 S HA 0.303 4.773 4.470 0.001 0.000 0.231 145 S C 1.700 176.292 174.600 -0.013 0.000 1.005 145 S CA 1.478 59.678 58.200 -0.001 0.000 0.949 145 S CB -0.052 63.161 63.200 0.022 0.000 0.774 145 S HN 2.182 nan 8.310 nan 0.000 0.510 146 G N 0.687 109.467 108.800 -0.034 0.000 2.254 146 G HA2 -0.238 3.722 3.960 0.001 0.000 0.225 146 G HA3 -0.238 3.722 3.960 0.001 0.000 0.225 146 G C -0.232 174.621 174.900 -0.079 0.000 1.003 146 G CA 0.114 45.166 45.100 -0.080 0.000 0.622 146 G HN 0.747 nan 8.290 nan 0.000 0.507 147 D N -0.024 120.371 120.400 -0.007 0.000 2.344 147 D HA 0.649 5.290 4.640 0.001 0.000 0.239 147 D C 1.635 178.001 176.300 0.110 0.000 1.064 147 D CA 0.430 54.446 54.000 0.028 0.000 0.829 147 D CB 1.114 41.928 40.800 0.023 0.000 1.129 147 D HN -0.051 nan 8.370 nan 0.000 0.506 148 T N 2.442 117.103 114.554 0.179 0.000 2.665 148 T HA -0.219 4.132 4.350 0.001 0.000 0.268 148 T C 1.889 176.632 174.700 0.071 0.000 1.035 148 T CA 1.646 63.881 62.100 0.226 0.000 1.151 148 T CB -0.276 68.726 68.868 0.223 0.000 0.862 148 T HN 0.576 nan 8.240 nan 0.000 0.438 149 A N 1.560 124.408 122.820 0.048 0.000 1.933 149 A HA -0.124 4.196 4.320 0.001 0.000 0.218 149 A C 2.281 179.870 177.584 0.009 0.000 1.175 149 A CA 1.565 53.611 52.037 0.016 0.000 0.628 149 A CB -0.421 18.588 19.000 0.015 0.000 0.814 149 A HN 0.474 nan 8.150 nan 0.000 0.444 150 K N -0.427 119.987 120.400 0.022 0.000 2.057 150 K HA -0.125 4.195 4.320 0.001 0.000 0.206 150 K C 1.471 178.077 176.600 0.011 0.000 1.050 150 K CA 1.370 57.667 56.287 0.018 0.000 0.935 150 K CB -0.228 32.288 32.500 0.026 0.000 0.715 150 K HN 0.407 nan 8.250 nan 0.000 0.439 151 D N 1.121 121.532 120.400 0.017 0.000 2.097 151 D HA -0.123 4.517 4.640 0.001 0.000 0.195 151 D C 1.943 178.187 176.300 -0.092 0.000 0.989 151 D CA 1.025 55.014 54.000 -0.018 0.000 0.827 151 D CB -0.203 40.600 40.800 0.004 0.000 0.966 151 D HN 0.158 nan 8.370 nan 0.000 0.456 152 I N 1.267 121.783 120.570 -0.091 0.000 2.208 152 I HA -0.274 3.897 4.170 0.001 0.000 0.245 152 I C 2.502 178.559 176.117 -0.099 0.000 1.097 152 I CA 1.010 62.238 61.300 -0.120 0.000 1.363 152 I CB -0.232 37.718 38.000 -0.083 0.000 1.051 152 I HN -0.075 nan 8.210 nan 0.000 0.413 153 A N 0.333 123.119 122.820 -0.056 0.000 1.883 153 A HA -0.288 4.032 4.320 0.001 0.000 0.217 153 A C 2.295 179.851 177.584 -0.046 0.000 1.186 153 A CA 2.068 54.082 52.037 -0.040 0.000 0.624 153 A CB -0.721 18.268 19.000 -0.019 0.000 0.822 153 A HN 0.471 nan 8.150 nan 0.000 0.444 154 E N -0.834 119.345 120.200 -0.036 0.000 2.058 154 E HA -0.145 4.205 4.350 0.001 0.000 0.194 154 E C 2.035 178.599 176.600 -0.059 0.000 0.997 154 E CA 1.101 57.492 56.400 -0.014 0.000 0.801 154 E CB -0.409 29.334 29.700 0.071 0.000 0.746 154 E HN 0.541 nan 8.360 nan 0.000 0.450 155 G N 0.136 108.824 108.800 -0.186 0.000 2.443 155 G HA2 -0.265 3.696 3.960 0.001 0.000 0.219 155 G HA3 -0.265 3.696 3.960 0.001 0.000 0.219 155 G C 1.462 176.267 174.900 -0.158 0.000 1.131 155 G CA 0.746 45.590 45.100 -0.428 0.000 0.775 155 G HN 0.205 nan 8.290 nan 0.000 0.547 156 E N 0.655 120.795 120.200 -0.100 0.000 2.106 156 E HA -0.034 4.316 4.350 0.001 0.000 0.192 156 E C 2.290 178.891 176.600 0.002 0.000 0.984 156 E CA 0.931 57.312 56.400 -0.030 0.000 0.806 156 E CB -0.195 29.485 29.700 -0.034 0.000 0.750 156 E HN 0.445 nan 8.360 nan 0.000 0.458 157 K N -0.522 119.869 120.400 -0.015 0.000 2.280 157 K HA -0.135 4.186 4.320 0.001 0.000 0.202 157 K C 1.278 177.877 176.600 -0.003 0.000 1.047 157 K CA 0.942 57.219 56.287 -0.017 0.000 0.942 157 K CB 0.051 32.526 32.500 -0.043 0.000 0.739 157 K HN 0.102 nan 8.250 nan 0.000 0.457 158 L N 0.242 121.491 121.223 0.044 0.000 2.354 158 L HA 0.055 4.396 4.340 0.001 0.000 0.212 158 L C 1.691 178.632 176.870 0.118 0.000 1.091 158 L CA 0.880 55.769 54.840 0.082 0.000 0.828 158 L CB -0.078 42.088 42.059 0.178 0.000 0.973 158 L HN 0.104 nan 8.230 nan 0.000 0.461 159 L N -0.765 120.554 121.223 0.159 0.000 2.552 159 L HA 0.127 4.467 4.340 0.001 0.000 0.227 159 L C 1.334 178.244 176.870 0.067 0.000 1.146 159 L CA -0.179 54.742 54.840 0.134 0.000 0.858 159 L CB -0.464 41.693 42.059 0.164 0.000 0.969 159 L HN 0.177 nan 8.230 nan 0.000 0.451 166 A N 0.970 123.462 122.820 -0.548 0.000 2.422 166 A HA 0.825 5.146 4.320 0.001 0.000 0.302 166 A C -1.329 175.898 177.584 -0.596 0.000 1.041 166 A CA -0.356 51.449 52.037 -0.386 0.000 0.708 166 A CB 1.042 19.996 19.000 -0.078 0.000 1.257 166 A HN 0.064 nan 8.150 nan 0.000 0.414 167 F N 0.659 120.677 119.950 0.113 0.000 2.565 167 F HA 0.609 5.136 4.527 0.000 0.000 0.313 167 F C 0.190 176.023 175.800 0.055 0.000 1.091 167 F CA -0.618 57.435 58.000 0.089 0.000 0.915 167 F CB 2.587 41.628 39.000 0.068 0.000 1.208 167 F HN 0.558 nan 8.300 nan 0.000 0.453 168 K N 4.024 124.554 120.400 0.216 0.000 2.307 168 K HA 0.661 4.982 4.320 0.001 0.000 0.263 168 K C -1.737 174.891 176.600 0.047 0.000 0.973 168 K CA -0.394 55.958 56.287 0.108 0.000 0.846 168 K CB 0.859 33.432 32.500 0.121 0.000 1.100 168 K HN 0.724 nan 8.250 nan 0.000 0.438 169 L N 4.643 125.885 121.223 0.032 0.000 2.282 169 L HA 0.416 4.756 4.340 0.001 0.000 0.288 169 L C -0.020 176.850 176.870 -0.001 0.000 1.033 169 L CA -1.109 53.743 54.840 0.020 0.000 0.807 169 L CB 1.283 43.360 42.059 0.029 0.000 1.209 169 L HN 0.450 nan 8.230 nan 0.000 0.423 170 K N 5.463 125.857 120.400 -0.010 0.000 2.234 170 K HA 0.625 4.945 4.320 0.001 0.000 0.282 170 K C -0.308 176.273 176.600 -0.031 0.000 1.039 170 K CA -0.190 56.068 56.287 -0.049 0.000 0.928 170 K CB 1.807 34.265 32.500 -0.071 0.000 1.039 170 K HN 0.618 nan 8.250 nan 0.000 0.470 171 I N -3.543 116.979 120.570 -0.081 0.000 3.354 171 I HA 0.711 4.881 4.170 0.001 0.000 0.316 171 I C 0.661 176.687 176.117 -0.152 0.000 1.182 171 I CA -0.880 60.380 61.300 -0.066 0.000 0.942 171 I CB 2.125 40.127 38.000 0.004 0.000 1.299 171 I HN 0.581 nan 8.210 nan 0.000 0.473 172 G N 0.639 109.389 108.800 -0.085 0.000 2.201 172 G HA2 -0.166 3.794 3.960 0.001 0.000 0.212 172 G HA3 -0.166 3.794 3.960 0.001 0.000 0.212 172 G C 0.694 175.600 174.900 0.011 0.000 0.994 172 G CA 0.400 45.435 45.100 -0.108 0.000 0.644 172 G HN 1.347 nan 8.290 nan 0.000 0.508 173 A N -0.206 122.619 122.820 0.007 0.000 2.238 173 A HA 0.650 4.971 4.320 0.001 0.000 0.210 173 A C 1.367 178.971 177.584 0.032 0.000 1.179 173 A CA 1.081 53.129 52.037 0.019 0.000 0.827 173 A CB 0.126 19.125 19.000 -0.002 0.000 0.856 173 A HN 0.489 nan 8.150 nan 0.000 0.488 174 R N -0.937 119.593 120.500 0.050 0.000 3.029 174 R HA 0.493 4.833 4.340 0.001 0.000 0.239 174 R C -0.813 175.542 176.300 0.092 0.000 1.351 174 R CA -1.035 55.094 56.100 0.050 0.000 1.052 174 R CB 0.373 30.683 30.300 0.016 0.000 1.354 174 R HN 0.106 nan 8.270 nan 0.000 0.499 175 E N 0.837 121.077 120.200 0.066 0.000 2.438 175 E HA -0.084 4.267 4.350 0.001 0.000 0.261 175 E C 0.665 177.318 176.600 0.088 0.000 1.103 175 E CA -0.028 56.410 56.400 0.063 0.000 0.959 175 E CB 0.419 30.139 29.700 0.033 0.000 0.958 175 E HN 0.360 nan 8.360 nan 0.000 0.447 176 L N 2.947 124.200 121.223 0.050 0.000 2.017 176 L HA -0.108 4.232 4.340 0.001 0.000 0.208 176 L C 1.821 178.711 176.870 0.033 0.000 1.073 176 L CA 2.559 57.413 54.840 0.023 0.000 0.745 176 L CB -1.020 40.937 42.059 -0.169 0.000 0.894 176 L HN 0.644 nan 8.230 nan 0.000 0.432 177 A N -1.533 121.291 122.820 0.007 0.000 1.892 177 A HA -0.303 4.017 4.320 0.001 0.000 0.218 177 A C 2.481 180.092 177.584 0.045 0.000 1.188 177 A CA 2.668 54.714 52.037 0.015 0.000 0.631 177 A CB -1.472 17.529 19.000 0.003 0.000 0.822 177 A HN 0.579 nan 8.150 nan 0.000 0.447 178 T N -1.301 113.284 114.554 0.051 0.000 2.777 178 T HA -0.149 4.201 4.350 0.001 0.000 0.266 178 T C 1.595 176.355 174.700 0.099 0.000 1.040 178 T CA 1.855 63.991 62.100 0.060 0.000 1.141 178 T CB -0.526 68.365 68.868 0.037 0.000 0.868 178 T HN 0.412 nan 8.240 nan 0.000 0.444 179 D N 0.681 121.154 120.400 0.122 0.000 2.144 179 D HA 0.019 4.659 4.640 0.001 0.000 0.200 179 D C 2.156 178.584 176.300 0.213 0.000 0.978 179 D CA 0.759 54.868 54.000 0.181 0.000 0.833 179 D CB -0.231 40.713 40.800 0.240 0.000 0.961 179 D HN 0.420 nan 8.370 nan 0.000 0.470 180 L N 0.205 121.526 121.223 0.162 0.000 2.093 180 L HA -0.069 4.271 4.340 0.001 0.000 0.208 180 L C 2.579 179.507 176.870 0.097 0.000 1.085 180 L CA 0.829 55.745 54.840 0.126 0.000 0.755 180 L CB -0.166 41.937 42.059 0.074 0.000 0.904 180 L HN -0.080 nan 8.230 nan 0.000 0.435 181 R N -1.003 119.553 120.500 0.094 0.000 2.075 181 R HA -0.202 4.138 4.340 0.001 0.000 0.232 181 R C 2.328 178.683 176.300 0.093 0.000 1.126 181 R CA 1.502 57.646 56.100 0.074 0.000 0.963 181 R CB -0.499 29.840 30.300 0.065 0.000 0.858 181 R HN 0.349 nan 8.270 nan 0.000 0.435 182 H N 0.154 119.241 119.070 0.028 0.000 2.290 182 H HA -0.134 4.422 4.556 0.001 0.000 0.298 182 H C 2.149 177.489 175.328 0.019 0.000 1.087 182 H CA 2.379 58.440 56.048 0.020 0.000 1.291 182 H CB -0.421 29.355 29.762 0.024 0.000 1.369 182 H HN 0.049 nan 8.280 nan 0.000 0.492 183 T N -0.507 114.027 114.554 -0.034 0.000 2.777 183 T HA -0.160 4.190 4.350 0.001 0.000 0.266 183 T C 2.222 176.881 174.700 -0.069 0.000 1.040 183 T CA 1.579 63.621 62.100 -0.096 0.000 1.141 183 T CB -0.363 68.529 68.868 0.040 0.000 0.868 183 T HN 0.414 nan 8.240 nan 0.000 0.444 184 R N 0.057 120.548 120.500 -0.016 0.000 2.091 184 R HA -0.024 4.316 4.340 0.001 0.000 0.238 184 R C 2.600 178.881 176.300 -0.031 0.000 1.136 184 R CA 1.477 57.572 56.100 -0.009 0.000 0.959 184 R CB -0.624 29.683 30.300 0.011 0.000 0.856 184 R HN 0.460 nan 8.270 nan 0.000 0.437 185 A N 1.049 123.841 122.820 -0.047 0.000 1.877 185 A HA -0.146 4.175 4.320 0.001 0.000 0.216 185 A C 2.144 179.678 177.584 -0.083 0.000 1.186 185 A CA 1.474 53.480 52.037 -0.053 0.000 0.620 185 A CB -0.493 18.480 19.000 -0.045 0.000 0.822 185 A HN 0.363 nan 8.150 nan 0.000 0.443 186 I N -0.478 120.004 120.570 -0.148 0.000 2.315 186 I HA -0.187 3.983 4.170 0.001 0.000 0.248 186 I C 2.260 178.327 176.117 -0.083 0.000 1.117 186 I CA 0.891 62.097 61.300 -0.157 0.000 1.404 186 I CB -0.278 37.572 38.000 -0.250 0.000 1.071 186 I HN 0.143 nan 8.210 nan 0.000 0.419 187 V N 0.891 120.774 119.914 -0.052 0.000 2.358 187 V HA -0.238 3.882 4.120 0.001 0.000 0.246 187 V C 2.299 178.393 176.094 0.000 0.000 1.047 187 V CA 1.827 64.123 62.300 -0.007 0.000 1.035 187 V CB -0.621 31.206 31.823 0.006 0.000 0.658 187 V HN 0.448 nan 8.190 nan 0.000 0.452 188 E N 0.420 120.613 120.200 -0.011 0.000 2.150 188 E HA -0.130 4.220 4.350 0.001 0.000 0.193 188 E C 2.222 178.819 176.600 -0.005 0.000 0.985 188 E CA 1.247 57.645 56.400 -0.004 0.000 0.814 188 E CB -0.255 29.441 29.700 -0.006 0.000 0.752 188 E HN 0.611 nan 8.360 nan 0.000 0.466 189 A N 0.460 123.268 122.820 -0.019 0.000 1.975 189 A HA -0.016 4.305 4.320 0.001 0.000 0.215 189 A C 1.838 179.416 177.584 -0.010 0.000 1.170 189 A CA 0.767 52.791 52.037 -0.021 0.000 0.656 189 A CB 0.253 19.227 19.000 -0.043 0.000 0.821 189 A HN 0.085 nan 8.150 nan 0.000 0.449 190 L N -1.891 119.329 121.223 -0.005 0.000 2.803 190 L HA 0.202 4.543 4.340 0.001 0.000 0.246 190 L C 2.365 179.296 176.870 0.102 0.000 1.100 190 L CA 1.255 56.121 54.840 0.043 0.000 0.919 190 L CB -1.807 40.246 42.059 -0.010 0.000 1.285 190 L HN 0.374 nan 8.230 nan 0.000 0.522 191 G N 0.379 109.224 108.800 0.075 0.000 2.537 191 G HA2 -0.319 3.642 3.960 0.001 0.000 0.220 191 G HA3 -0.319 3.642 3.960 0.001 0.000 0.220 191 G C 1.244 176.187 174.900 0.071 0.000 1.111 191 G CA 1.080 46.230 45.100 0.083 0.000 0.748 191 G HN 0.335 nan 8.290 nan 0.000 0.564 192 D N 1.000 121.437 120.400 0.061 0.000 2.123 192 D HA -0.078 4.562 4.640 0.001 0.000 0.200 192 D C 2.242 178.574 176.300 0.053 0.000 0.976 192 D CA 0.696 54.725 54.000 0.048 0.000 0.831 192 D CB 0.038 40.860 40.800 0.037 0.000 0.974 192 D HN 0.382 nan 8.370 nan 0.000 0.469 193 R N 0.093 120.636 120.500 0.071 0.000 2.613 193 R HA 0.638 4.978 4.340 0.001 0.000 0.361 193 R C -0.501 175.849 176.300 0.084 0.000 1.072 193 R CA -0.417 55.723 56.100 0.067 0.000 1.089 193 R CB 0.123 30.462 30.300 0.064 0.000 1.343 193 R HN 0.038 nan 8.270 nan 0.000 0.571 194 A N 0.301 123.184 122.820 0.105 0.000 2.589 194 A HA 0.445 4.766 4.320 0.001 0.000 0.296 194 A C -0.988 176.657 177.584 0.101 0.000 1.062 194 A CA -0.547 51.548 52.037 0.097 0.000 0.686 194 A CB 1.724 20.871 19.000 0.245 0.000 1.282 194 A HN 0.143 nan 8.150 nan 0.000 0.404 195 S N 1.768 117.497 115.700 0.049 0.000 2.505 195 S HA 0.496 4.967 4.470 0.001 0.000 0.276 195 S C -0.132 174.545 174.600 0.128 0.000 1.274 195 S CA -0.281 57.969 58.200 0.084 0.000 1.053 195 S CB -0.388 62.860 63.200 0.080 0.000 0.919 195 S HN 0.455 nan 8.310 nan 0.000 0.490 196 I N 5.577 126.229 120.570 0.138 0.000 2.330 196 I HA 0.455 4.625 4.170 0.001 0.000 0.289 196 I C 0.187 176.361 176.117 0.094 0.000 1.001 196 I CA -0.475 60.911 61.300 0.145 0.000 1.193 196 I CB 1.170 39.241 38.000 0.118 0.000 1.345 196 I HN 0.642 nan 8.210 nan 0.000 0.461 197 R N 4.354 124.902 120.500 0.081 0.000 2.832 197 R HA 0.820 5.160 4.340 0.001 0.000 0.271 197 R C -0.569 175.730 176.300 -0.003 0.000 0.996 197 R CA -0.754 55.350 56.100 0.006 0.000 0.977 197 R CB 2.357 32.633 30.300 -0.040 0.000 1.168 197 R HN 0.487 nan 8.270 nan 0.000 0.482 198 V N -2.163 117.722 119.914 -0.049 0.000 3.074 198 V HA 0.750 4.870 4.120 0.001 0.000 0.314 198 V C -1.238 174.790 176.094 -0.111 0.000 1.117 198 V CA -0.752 61.515 62.300 -0.054 0.000 1.014 198 V CB 2.346 34.147 31.823 -0.038 0.000 1.057 198 V HN 0.709 nan 8.190 nan 0.000 0.438 199 D N 0.974 121.298 120.400 -0.127 0.000 2.736 199 D HA 0.502 5.142 4.640 0.001 0.000 0.243 199 D C 0.108 176.270 176.300 -0.231 0.000 1.304 199 D CA -0.274 53.629 54.000 -0.162 0.000 0.934 199 D CB 2.087 42.820 40.800 -0.111 0.000 1.382 199 D HN 0.378 nan 8.370 nan 0.000 0.571 200 V N 3.161 122.872 119.914 -0.339 0.000 3.608 200 V HA 0.074 4.194 4.120 0.001 0.000 0.269 200 V C 1.045 176.938 176.094 -0.334 0.000 1.245 200 V CA 0.167 62.161 62.300 -0.510 0.000 1.138 200 V CB -1.445 29.803 31.823 -0.957 0.000 0.841 200 V HN 0.811 nan 8.190 nan 0.000 0.451 201 N N 1.702 120.270 118.700 -0.220 0.000 2.699 201 N HA -0.311 4.430 4.740 0.001 0.000 0.256 201 N C 0.669 176.117 175.510 -0.104 0.000 0.993 201 N CA 1.146 54.114 53.050 -0.137 0.000 0.759 201 N CB -1.034 37.381 38.487 -0.119 0.000 0.906 201 N HN 0.740 nan 8.380 nan 0.000 0.541 202 Q N -3.859 115.867 119.800 -0.123 0.000 2.374 202 Q HA -0.332 4.009 4.340 0.001 0.000 0.218 202 Q C 1.143 177.111 176.000 -0.054 0.000 0.691 202 Q CA 1.183 56.941 55.803 -0.076 0.000 1.340 202 Q CB -1.762 26.943 28.738 -0.055 0.000 1.498 202 Q HN 0.675 nan 8.270 nan 0.000 0.739 203 A N -0.175 122.570 122.820 -0.125 0.000 1.972 203 A HA -0.107 4.214 4.320 0.001 0.000 0.219 203 A C 0.414 178.071 177.584 0.121 0.000 1.169 203 A CA 0.851 52.853 52.037 -0.059 0.000 0.635 203 A CB -0.109 18.799 19.000 -0.154 0.000 0.810 203 A HN 0.394 nan 8.150 nan 0.000 0.446 204 W N 2.185 123.494 121.300 0.014 0.000 2.315 204 W HA 0.346 5.007 4.660 0.000 0.000 0.316 204 W C -0.049 176.480 176.519 0.017 0.000 1.211 204 W CA -1.713 55.641 57.345 0.014 0.000 1.201 204 W CB 0.083 29.550 29.460 0.012 0.000 1.184 204 W HN 0.430 nan 8.180 nan 0.000 0.544 205 D N 0.568 121.112 120.400 0.239 0.000 2.384 205 D HA 0.231 4.871 4.640 0.001 0.000 0.244 205 D C 1.042 177.411 176.300 0.115 0.000 1.251 205 D CA -0.224 53.855 54.000 0.132 0.000 0.961 205 D CB 0.903 41.750 40.800 0.077 0.000 1.116 205 D HN 0.291 nan 8.370 nan 0.000 0.484 206 A N 0.760 123.627 122.820 0.078 0.000 1.883 206 A HA -0.090 4.230 4.320 0.001 0.000 0.217 206 A C 2.271 179.868 177.584 0.022 0.000 1.186 206 A CA 2.685 54.758 52.037 0.061 0.000 0.624 206 A CB -1.167 17.861 19.000 0.047 0.000 0.822 206 A HN 0.725 nan 8.150 nan 0.000 0.444 207 A N -1.229 121.588 122.820 -0.004 0.000 1.877 207 A HA -0.075 4.246 4.320 0.001 0.000 0.216 207 A C 2.310 179.830 177.584 -0.106 0.000 1.186 207 A CA 2.281 54.292 52.037 -0.042 0.000 0.620 207 A CB -1.256 17.720 19.000 -0.039 0.000 0.822 207 A HN 0.434 nan 8.150 nan 0.000 0.443 208 T N -0.277 114.191 114.554 -0.144 0.000 2.821 208 T HA -0.007 4.344 4.350 0.001 0.000 0.267 208 T C 1.941 176.346 174.700 -0.490 0.000 1.046 208 T CA 1.283 63.171 62.100 -0.352 0.000 1.139 208 T CB -0.536 68.090 68.868 -0.403 0.000 0.871 208 T HN 0.582 nan 8.240 nan 0.000 0.454 209 G N 1.188 109.897 108.800 -0.153 0.000 2.418 209 G HA2 -0.063 3.897 3.960 0.001 0.000 0.217 209 G HA3 -0.063 3.897 3.960 0.001 0.000 0.217 209 G C 1.817 176.709 174.900 -0.012 0.000 1.158 209 G CA 0.901 46.043 45.100 0.071 0.000 0.771 209 G HN 0.570 nan 8.290 nan 0.000 0.545 210 A N 0.673 123.469 122.820 -0.040 0.000 1.877 210 A HA -0.005 4.315 4.320 0.001 0.000 0.216 210 A C 2.216 179.752 177.584 -0.081 0.000 1.186 210 A CA 2.151 54.169 52.037 -0.033 0.000 0.620 210 A CB -0.457 18.526 19.000 -0.027 0.000 0.822 210 A HN 0.397 nan 8.150 nan 0.000 0.443 211 K N -0.750 119.561 120.400 -0.149 0.000 2.002 211 K HA -0.101 4.219 4.320 0.001 0.000 0.209 211 K C 2.110 178.584 176.600 -0.210 0.000 1.048 211 K CA 1.493 57.681 56.287 -0.166 0.000 0.930 211 K CB -0.647 31.737 32.500 -0.192 0.000 0.714 211 K HN 0.357 nan 8.250 nan 0.000 0.438 212 G N 0.870 109.416 108.800 -0.424 0.000 2.446 212 G HA2 -0.299 3.661 3.960 0.001 0.000 0.217 212 G HA3 -0.299 3.661 3.960 0.001 0.000 0.217 212 G C 1.685 176.549 174.900 -0.061 0.000 1.168 212 G CA 1.168 45.978 45.100 -0.483 0.000 0.771 212 G HN 0.469 nan 8.290 nan 0.000 0.551 213 C N -0.072 119.256 119.300 0.046 0.000 2.425 213 C HA 0.051 4.512 4.460 0.001 0.000 0.277 213 C C 2.977 178.001 174.990 0.057 0.000 1.280 213 C CA 0.663 59.764 59.018 0.138 0.000 1.744 213 C CB -0.848 26.979 27.740 0.144 0.000 1.989 213 C HN 0.451 nan 8.230 nan 0.000 0.491 214 R N 0.513 121.019 120.500 0.010 0.000 2.081 214 R HA -0.103 4.237 4.340 0.001 0.000 0.235 214 R C 2.228 178.531 176.300 0.006 0.000 1.131 214 R CA 1.092 57.193 56.100 0.002 0.000 0.960 214 R CB -0.254 30.037 30.300 -0.016 0.000 0.856 214 R HN 0.570 nan 8.270 nan 0.000 0.436 215 E N 0.841 121.040 120.200 -0.002 0.000 2.077 215 E HA -0.160 4.190 4.350 0.001 0.000 0.193 215 E C 2.162 178.783 176.600 0.034 0.000 0.989 215 E CA 0.958 57.362 56.400 0.007 0.000 0.800 215 E CB -0.183 29.513 29.700 -0.007 0.000 0.746 215 E HN 0.331 nan 8.360 nan 0.000 0.452 216 L N 0.499 121.760 121.223 0.064 0.000 2.012 216 L HA -0.191 4.149 4.340 0.001 0.000 0.210 216 L C 2.586 179.487 176.870 0.052 0.000 1.073 216 L CA 1.327 56.215 54.840 0.079 0.000 0.748 216 L CB -0.576 41.559 42.059 0.126 0.000 0.891 216 L HN 0.071 nan 8.230 nan 0.000 0.431 217 A N -0.078 122.768 122.820 0.044 0.000 1.902 217 A HA -0.175 4.145 4.320 0.001 0.000 0.217 217 A C 2.502 180.102 177.584 0.026 0.000 1.181 217 A CA 1.748 53.804 52.037 0.031 0.000 0.623 217 A CB -0.728 18.286 19.000 0.023 0.000 0.818 217 A HN 0.419 nan 8.150 nan 0.000 0.443 218 A N 0.383 123.216 122.820 0.022 0.000 1.972 218 A HA -0.089 4.231 4.320 0.001 0.000 0.219 218 A C 2.185 179.780 177.584 0.019 0.000 1.169 218 A CA 1.751 53.798 52.037 0.017 0.000 0.635 218 A CB -0.692 18.314 19.000 0.011 0.000 0.810 218 A HN 0.830 nan 8.150 nan 0.000 0.446 219 M N -2.950 116.665 119.600 0.024 0.000 2.618 219 M HA 0.410 4.890 4.480 0.001 0.000 0.240 219 M C 1.097 177.413 176.300 0.028 0.000 1.123 219 M CA 1.021 56.336 55.300 0.024 0.000 1.060 219 M CB 0.121 32.737 32.600 0.025 0.000 1.535 219 M HN 0.629 nan 8.290 nan 0.000 0.507 220 G N 0.894 109.713 108.800 0.031 0.000 2.148 220 G HA2 -0.164 3.796 3.960 0.001 0.000 0.203 220 G HA3 -0.164 3.796 3.960 0.001 0.000 0.203 220 G C -0.107 174.821 174.900 0.046 0.000 0.993 220 G CA -0.133 44.990 45.100 0.037 0.000 0.661 220 G HN 0.363 nan 8.290 nan 0.000 0.518 221 V N 1.492 121.432 119.914 0.044 0.000 2.599 221 V HA 0.162 4.282 4.120 0.001 0.000 0.300 221 V C 1.365 177.488 176.094 0.048 0.000 1.034 221 V CA 0.774 63.101 62.300 0.045 0.000 1.115 221 V CB 1.164 33.010 31.823 0.038 0.000 0.934 221 V HN 0.298 nan 8.190 nan 0.000 0.485 222 D N 2.650 123.091 120.400 0.068 0.000 2.249 222 D HA 0.123 4.763 4.640 0.001 0.000 0.205 222 D C 0.119 176.432 176.300 0.022 0.000 0.962 222 D CA 0.852 54.923 54.000 0.117 0.000 0.860 222 D CB 0.545 41.478 40.800 0.221 0.000 0.955 222 D HN 0.301 nan 8.370 nan 0.000 0.505 223 L N 0.357 121.521 121.223 -0.099 0.000 2.565 223 L HA 0.372 4.712 4.340 0.001 0.000 0.261 223 L C -1.830 174.913 176.870 -0.211 0.000 0.932 223 L CA -0.436 54.217 54.840 -0.312 0.000 0.878 223 L CB 2.204 43.901 42.059 -0.602 0.000 1.333 223 L HN -0.243 nan 8.230 nan 0.000 0.409 224 I N 3.616 124.069 120.570 -0.195 0.000 2.382 224 I HA 0.415 4.585 4.170 0.001 0.000 0.286 224 I C -0.284 175.742 176.117 -0.153 0.000 1.002 224 I CA -0.480 60.745 61.300 -0.124 0.000 1.135 224 I CB 1.763 39.742 38.000 -0.034 0.000 1.288 224 I HN 0.609 nan 8.210 nan 0.000 0.448 225 E N 5.549 125.645 120.200 -0.174 0.000 2.227 225 E HA 0.115 4.465 4.350 0.001 0.000 0.282 225 E C -0.148 176.370 176.600 -0.138 0.000 1.015 225 E CA -0.708 55.593 56.400 -0.166 0.000 0.823 225 E CB 0.867 30.458 29.700 -0.182 0.000 1.081 225 E HN 0.455 nan 8.360 nan 0.000 0.396 226 Q N 3.963 123.705 119.800 -0.097 0.000 2.398 226 Q HA -0.177 4.164 4.340 0.001 0.000 0.367 226 Q C -1.910 174.026 176.000 -0.106 0.000 1.337 226 Q CA 0.657 56.409 55.803 -0.085 0.000 1.130 226 Q CB -0.268 28.413 28.738 -0.095 0.000 1.320 226 Q HN 0.488 nan 8.270 nan 0.000 0.352 227 P HA -0.132 nan 4.420 nan 0.000 0.218 227 P C 0.509 177.825 177.300 0.026 0.000 1.149 227 P CA 1.710 64.770 63.100 -0.066 0.000 0.817 227 P CB 0.024 31.806 31.700 0.136 0.000 0.785 228 V N -3.870 116.080 119.914 0.060 0.000 3.177 228 V HA 0.623 4.743 4.120 0.001 0.000 0.319 228 V C 0.437 176.544 176.094 0.021 0.000 1.125 228 V CA -1.259 61.092 62.300 0.084 0.000 1.029 228 V CB 0.956 32.845 31.823 0.109 0.000 1.119 228 V HN -0.029 nan 8.190 nan 0.000 0.452 229 S N 0.344 116.063 115.700 0.032 0.000 2.579 229 S HA 0.439 4.910 4.470 0.001 0.000 0.275 229 S C 1.352 175.923 174.600 -0.047 0.000 1.345 229 S CA 0.128 58.315 58.200 -0.021 0.000 1.031 229 S CB 0.939 64.151 63.200 0.021 0.000 0.892 229 S HN 1.676 nan 8.310 nan 0.000 0.529 230 A N 2.840 125.577 122.820 -0.139 0.000 2.168 230 A HA 0.029 4.349 4.320 0.001 0.000 0.215 230 A C 1.472 179.023 177.584 -0.055 0.000 1.152 230 A CA 1.126 53.088 52.037 -0.125 0.000 0.716 230 A CB -0.871 18.029 19.000 -0.168 0.000 0.794 230 A HN 1.009 nan 8.150 nan 0.000 0.465 231 H N -1.783 117.285 119.070 -0.002 0.000 2.555 231 H HA 0.034 4.590 4.556 0.000 0.000 0.269 231 H C -0.087 175.245 175.328 0.006 0.000 0.988 231 H CA 0.473 56.521 56.048 0.001 0.000 1.178 231 H CB 0.410 30.175 29.762 0.005 0.000 1.373 231 H HN 0.305 nan 8.280 nan 0.000 0.588 232 D N -0.576 119.890 120.400 0.111 0.000 2.739 232 D HA 0.072 4.712 4.640 0.001 0.000 0.335 232 D C 0.119 176.450 176.300 0.051 0.000 1.216 232 D CA -0.147 53.900 54.000 0.077 0.000 0.808 232 D CB -0.398 40.450 40.800 0.081 0.000 1.121 232 D HN 0.232 nan 8.370 nan 0.000 0.499 233 N N 0.005 118.726 118.700 0.035 0.000 2.289 233 N HA -0.149 4.592 4.740 0.001 0.000 0.184 233 N C 1.758 177.297 175.510 0.049 0.000 1.016 233 N CA 0.787 53.848 53.050 0.018 0.000 0.872 233 N CB 0.398 38.882 38.487 -0.006 0.000 0.973 233 N HN 0.268 nan 8.380 nan 0.000 0.433 234 A N 1.368 124.217 122.820 0.049 0.000 1.908 234 A HA -0.092 4.229 4.320 0.001 0.000 0.218 234 A C 2.344 179.967 177.584 0.065 0.000 1.181 234 A CA 1.774 53.843 52.037 0.054 0.000 0.627 234 A CB -0.753 18.273 19.000 0.043 0.000 0.818 234 A HN 0.349 nan 8.150 nan 0.000 0.445 235 A N -0.783 122.076 122.820 0.066 0.000 1.930 235 A HA 0.025 4.346 4.320 0.001 0.000 0.217 235 A C 2.121 179.763 177.584 0.096 0.000 1.175 235 A CA 1.613 53.694 52.037 0.073 0.000 0.627 235 A CB -0.581 18.464 19.000 0.074 0.000 0.815 235 A HN 0.618 nan 8.150 nan 0.000 0.443 236 L N -0.081 121.205 121.223 0.105 0.000 2.017 236 L HA -0.126 4.215 4.340 0.001 0.000 0.208 236 L C 2.419 179.436 176.870 0.245 0.000 1.073 236 L CA 1.873 56.806 54.840 0.156 0.000 0.745 236 L CB -0.476 41.643 42.059 0.101 0.000 0.894 236 L HN 0.162 nan 8.230 nan 0.000 0.432 237 V N -0.120 119.928 119.914 0.222 0.000 2.295 237 V HA -0.313 3.808 4.120 0.001 0.000 0.246 237 V C 2.766 178.930 176.094 0.116 0.000 1.049 237 V CA 2.173 64.611 62.300 0.230 0.000 1.024 237 V CB -0.714 31.206 31.823 0.161 0.000 0.648 237 V HN 0.529 nan 8.190 nan 0.000 0.447 238 R N -0.252 120.300 120.500 0.086 0.000 2.083 238 R HA -0.163 4.177 4.340 0.001 0.000 0.237 238 R C 2.297 178.622 176.300 0.042 0.000 1.137 238 R CA 1.775 57.906 56.100 0.051 0.000 0.951 238 R CB -0.332 29.996 30.300 0.046 0.000 0.851 238 R HN 0.453 nan 8.270 nan 0.000 0.434 239 L N 0.582 121.843 121.223 0.064 0.000 2.046 239 L HA -0.173 4.167 4.340 0.001 0.000 0.208 239 L C 2.684 179.565 176.870 0.019 0.000 1.077 239 L CA 1.637 56.510 54.840 0.054 0.000 0.747 239 L CB -0.522 41.590 42.059 0.089 0.000 0.896 239 L HN 0.378 nan 8.230 nan 0.000 0.432 240 S N -0.775 114.929 115.700 0.007 0.000 2.419 240 S HA -0.240 4.231 4.470 0.001 0.000 0.233 240 S C 1.809 176.330 174.600 -0.132 0.000 1.016 240 S CA 1.038 59.157 58.200 -0.136 0.000 0.974 240 S CB -0.304 62.653 63.200 -0.406 0.000 0.786 240 S HN 0.519 nan 8.310 nan 0.000 0.492 241 Q N 0.575 120.334 119.800 -0.070 0.000 2.424 241 Q HA 0.059 4.399 4.340 0.001 0.000 0.204 241 Q C 2.255 178.234 176.000 -0.034 0.000 0.933 241 Q CA 0.963 56.733 55.803 -0.055 0.000 0.929 241 Q CB 0.049 28.769 28.738 -0.030 0.000 1.037 241 Q HN 0.971 nan 8.270 nan 0.000 0.511 242 Q N -0.976 118.811 119.800 -0.021 0.000 2.288 242 Q HA 0.150 4.491 4.340 0.001 0.000 0.256 242 Q C 0.328 176.322 176.000 -0.010 0.000 0.835 242 Q CA -0.168 55.627 55.803 -0.012 0.000 0.958 242 Q CB 0.607 29.344 28.738 -0.002 0.000 1.125 242 Q HN 0.076 nan 8.270 nan 0.000 0.513 243 I N 3.277 123.841 120.570 -0.010 0.000 2.496 243 I HA 0.055 4.225 4.170 0.001 0.000 0.285 243 I C 0.393 176.503 176.117 -0.011 0.000 1.080 243 I CA 0.119 61.418 61.300 -0.003 0.000 1.404 243 I CB 1.110 39.116 38.000 0.010 0.000 1.403 243 I HN 0.293 nan 8.210 nan 0.000 0.539 244 E N 3.834 124.033 120.200 -0.002 0.000 2.422 244 E HA 0.138 4.488 4.350 0.001 0.000 0.267 244 E C 0.098 176.702 176.600 0.006 0.000 1.466 244 E CA -0.018 56.382 56.400 -0.001 0.000 1.767 244 E CB 0.235 29.936 29.700 0.003 0.000 1.471 244 E HN 0.579 nan 8.360 nan 0.000 0.446 245 T N -0.829 113.725 114.554 -0.001 0.000 2.749 245 T HA 0.459 4.809 4.350 0.001 0.000 0.310 245 T C -1.496 173.188 174.700 -0.027 0.000 1.496 245 T CA -0.504 61.600 62.100 0.006 0.000 1.006 245 T CB 1.213 70.088 68.868 0.012 0.000 1.457 245 T HN 0.146 nan 8.240 nan 0.000 0.497 246 A N 2.574 125.371 122.820 -0.040 0.000 2.407 246 A HA 0.640 4.960 4.320 0.001 0.000 0.248 246 A C -0.152 177.306 177.584 -0.210 0.000 1.082 246 A CA -0.322 51.635 52.037 -0.133 0.000 0.785 246 A CB -0.088 18.810 19.000 -0.169 0.000 1.020 246 A HN 0.624 nan 8.150 nan 0.000 0.489 247 I N 2.126 122.582 120.570 -0.190 0.000 2.441 247 I HA 0.357 4.527 4.170 0.001 0.000 0.295 247 I C -0.249 175.838 176.117 -0.049 0.000 0.994 247 I CA -0.431 60.815 61.300 -0.089 0.000 1.144 247 I CB 1.340 39.365 38.000 0.042 0.000 1.314 247 I HN 0.550 nan 8.210 nan 0.000 0.445 248 L N 5.163 126.333 121.223 -0.088 0.000 2.325 248 L HA 0.640 4.981 4.340 0.001 0.000 0.281 248 L C -0.097 176.773 176.870 0.000 0.000 1.004 248 L CA -0.536 54.239 54.840 -0.109 0.000 0.823 248 L CB 1.653 43.486 42.059 -0.375 0.000 1.236 248 L HN 0.754 nan 8.230 nan 0.000 0.415 249 A N 3.249 126.107 122.820 0.063 0.000 2.331 249 A HA 0.384 4.704 4.320 0.001 0.000 0.283 249 A C -0.281 177.252 177.584 -0.086 0.000 1.142 249 A CA -0.353 51.615 52.037 -0.114 0.000 0.812 249 A CB 1.095 19.865 19.000 -0.383 0.000 1.074 249 A HN 0.840 nan 8.150 nan 0.000 0.497 250 D N 0.688 121.025 120.400 -0.105 0.000 3.051 250 D HA 0.053 4.693 4.640 0.001 0.000 0.216 250 D C 1.244 177.490 176.300 -0.090 0.000 1.454 250 D CA 0.327 54.286 54.000 -0.068 0.000 1.400 250 D CB -0.217 40.559 40.800 -0.039 0.000 0.975 250 D HN 0.395 nan 8.370 nan 0.000 0.212 251 E N 0.321 120.478 120.200 -0.073 0.000 2.219 251 E HA -0.028 4.322 4.350 0.001 0.000 0.198 251 E C 1.703 178.241 176.600 -0.103 0.000 0.998 251 E CA 1.187 57.548 56.400 -0.066 0.000 0.818 251 E CB -0.346 29.318 29.700 -0.060 0.000 0.741 251 E HN 0.358 nan 8.360 nan 0.000 0.477 252 A N 0.068 122.799 122.820 -0.148 0.000 2.121 252 A HA 0.028 4.349 4.320 0.001 0.000 0.218 252 A C 0.873 178.319 177.584 -0.231 0.000 1.154 252 A CA 0.581 52.510 52.037 -0.181 0.000 0.679 252 A CB 0.393 19.257 19.000 -0.226 0.000 0.795 252 A HN 0.121 nan 8.150 nan 0.000 0.458 253 V N -1.417 118.337 119.914 -0.267 0.000 2.567 253 V HA 0.655 4.776 4.120 0.001 0.000 0.298 253 V C 0.219 176.191 176.094 -0.203 0.000 1.047 253 V CA 0.045 62.144 62.300 -0.334 0.000 0.880 253 V CB 1.276 32.653 31.823 -0.743 0.000 1.009 253 V HN 0.390 nan 8.190 nan 0.000 0.429 254 A N 4.809 127.563 122.820 -0.110 0.000 1.988 254 A HA 0.492 4.812 4.320 0.001 0.000 0.198 254 A C 1.071 178.646 177.584 -0.015 0.000 1.507 254 A CA 0.960 52.975 52.037 -0.037 0.000 0.901 254 A CB 0.109 19.120 19.000 0.019 0.000 1.007 254 A HN 1.082 nan 8.150 nan 0.000 0.502 255 T N -4.188 110.373 114.554 0.012 0.000 2.937 255 T HA 0.639 4.990 4.350 0.001 0.000 0.283 255 T C 1.147 175.844 174.700 -0.006 0.000 1.012 255 T CA 0.100 62.223 62.100 0.038 0.000 0.997 255 T CB 1.480 70.445 68.868 0.160 0.000 1.136 255 T HN 0.682 nan 8.240 nan 0.000 0.551 256 A N -0.297 122.474 122.820 -0.082 0.000 2.019 256 A HA 0.038 4.358 4.320 0.001 0.000 0.219 256 A C 1.941 179.484 177.584 -0.069 0.000 1.164 256 A CA 1.150 53.120 52.037 -0.111 0.000 0.644 256 A CB -1.402 17.467 19.000 -0.218 0.000 0.805 256 A HN 0.893 nan 8.150 nan 0.000 0.449 257 Y N 0.593 120.932 120.300 0.065 0.000 2.114 257 Y HA -0.216 4.335 4.550 0.000 0.000 0.284 257 Y C 2.338 178.294 175.900 0.093 0.000 1.143 257 Y CA 1.267 59.423 58.100 0.093 0.000 1.135 257 Y CB -0.305 38.189 38.460 0.057 0.000 0.980 257 Y HN 0.278 nan 8.280 nan 0.000 0.499 258 D N -0.418 120.091 120.400 0.182 0.000 2.123 258 D HA -0.154 4.486 4.640 0.001 0.000 0.196 258 D C 2.380 178.658 176.300 -0.036 0.000 0.992 258 D CA 1.483 55.505 54.000 0.037 0.000 0.833 258 D CB -0.926 39.844 40.800 -0.050 0.000 0.954 258 D HN 0.450 nan 8.370 nan 0.000 0.455 259 G N -0.100 108.670 108.800 -0.050 0.000 2.440 259 G HA2 -0.325 3.636 3.960 0.001 0.000 0.218 259 G HA3 -0.325 3.636 3.960 0.001 0.000 0.218 259 G C 1.607 176.624 174.900 0.196 0.000 1.154 259 G CA 0.869 45.953 45.100 -0.025 0.000 0.767 259 G HN 0.320 nan 8.290 nan 0.000 0.552 260 Y N 1.114 121.475 120.300 0.103 0.000 2.163 260 Y HA -0.078 4.472 4.550 0.000 0.000 0.288 260 Y C 3.020 178.989 175.900 0.115 0.000 1.136 260 Y CA 2.111 60.279 58.100 0.115 0.000 1.147 260 Y CB -0.430 38.082 38.460 0.087 0.000 0.987 260 Y HN 0.295 nan 8.280 nan 0.000 0.509 261 Q N 0.086 119.843 119.800 -0.071 0.000 2.061 261 Q HA -0.228 4.112 4.340 0.001 0.000 0.204 261 Q C 2.425 178.348 176.000 -0.128 0.000 0.984 261 Q CA 2.037 57.758 55.803 -0.136 0.000 0.846 261 Q CB -0.388 28.373 28.738 0.038 0.000 0.902 261 Q HN 0.529 nan 8.270 nan 0.000 0.421 262 L N -0.046 121.147 121.223 -0.049 0.000 2.046 262 L HA -0.193 4.147 4.340 0.001 0.000 0.208 262 L C 2.303 179.237 176.870 0.106 0.000 1.077 262 L CA 1.306 56.149 54.840 0.005 0.000 0.747 262 L CB -0.526 41.491 42.059 -0.070 0.000 0.896 262 L HN 0.268 nan 8.230 nan 0.000 0.432 263 A N -0.927 121.970 122.820 0.129 0.000 1.902 263 A HA -0.263 4.057 4.320 0.001 0.000 0.217 263 A C 2.163 179.733 177.584 -0.023 0.000 1.181 263 A CA 1.564 53.675 52.037 0.123 0.000 0.623 263 A CB -0.606 18.464 19.000 0.117 0.000 0.818 263 A HN 0.529 nan 8.150 nan 0.000 0.443 264 Q N -0.099 119.572 119.800 -0.214 0.000 2.170 264 Q HA -0.223 4.117 4.340 0.001 0.000 0.203 264 Q C 1.938 177.883 176.000 -0.091 0.000 0.976 264 Q CA 2.057 57.715 55.803 -0.240 0.000 0.858 264 Q CB -0.293 28.117 28.738 -0.546 0.000 0.907 264 Q HN 0.809 nan 8.270 nan 0.000 0.433 265 Q N -1.181 118.588 119.800 -0.051 0.000 2.369 265 Q HA -0.028 4.312 4.340 0.001 0.000 0.206 265 Q C 0.459 176.483 176.000 0.041 0.000 0.963 265 Q CA 0.927 56.733 55.803 0.006 0.000 0.894 265 Q CB 0.126 28.879 28.738 0.025 0.000 0.965 265 Q HN 0.644 nan 8.270 nan 0.000 0.475 266 G N -0.141 108.692 108.800 0.056 0.000 2.175 266 G HA2 -0.253 3.707 3.960 0.001 0.000 0.182 266 G HA3 -0.253 3.707 3.960 0.001 0.000 0.182 266 G C -0.282 174.664 174.900 0.078 0.000 1.003 266 G CA -0.203 44.928 45.100 0.051 0.000 0.666 266 G HN 0.343 nan 8.290 nan 0.000 0.506 267 F N 2.501 122.455 119.950 0.006 0.000 2.529 267 F HA 0.589 5.116 4.527 0.001 0.000 0.365 267 F C 0.527 176.324 175.800 -0.005 0.000 1.102 267 F CA 1.054 59.067 58.000 0.020 0.000 1.271 267 F CB 1.366 40.410 39.000 0.074 0.000 1.120 267 F HN 0.069 nan 8.300 nan 0.000 0.579 268 T N 4.470 118.492 114.554 -0.886 0.000 2.848 268 T HA 0.723 5.073 4.350 0.001 0.000 0.285 268 T C -0.189 173.926 174.700 -0.975 0.000 0.995 268 T CA 0.268 61.979 62.100 -0.647 0.000 0.970 268 T CB 0.869 69.544 68.868 -0.322 0.000 0.976 268 T HN 1.211 nan 8.240 nan 0.000 0.441 269 G N 2.690 111.161 108.800 -0.548 0.000 2.451 269 G HA2 0.530 4.490 3.960 0.001 0.000 0.083 269 G HA3 0.530 4.490 3.960 0.001 0.000 0.083 269 G C -0.996 173.869 174.900 -0.058 0.000 1.107 269 G CA 0.119 45.026 45.100 -0.321 0.000 1.117 269 G HN 1.329 nan 8.290 nan 0.000 0.454 270 A N -1.426 121.434 122.820 0.066 0.000 2.527 270 A HA 0.840 5.160 4.320 0.001 0.000 0.293 270 A C -1.930 175.781 177.584 0.213 0.000 1.117 270 A CA -0.538 51.526 52.037 0.045 0.000 0.723 270 A CB 1.461 20.398 19.000 -0.106 0.000 1.313 270 A HN 1.125 nan 8.150 nan 0.000 0.411 271 Y N -0.191 120.161 120.300 0.088 0.000 2.393 271 Y HA 0.628 5.178 4.550 0.001 0.000 0.341 271 Y C 0.584 176.506 175.900 0.038 0.000 0.988 271 Y CA -1.428 56.687 58.100 0.025 0.000 1.078 271 Y CB 1.927 40.400 38.460 0.020 0.000 1.203 271 Y HN 0.820 nan 8.280 nan 0.000 0.453 272 A N 5.395 128.328 122.820 0.189 0.000 2.527 272 A HA 0.498 4.818 4.320 0.001 0.000 0.313 272 A C -0.342 177.282 177.584 0.067 0.000 1.410 272 A CA -0.499 51.658 52.037 0.200 0.000 1.060 272 A CB -0.942 18.178 19.000 0.200 0.000 1.137 272 A HN 0.759 nan 8.150 nan 0.000 0.542 273 L N 2.358 123.557 121.223 -0.040 0.000 2.410 273 L HA 0.287 4.627 4.340 0.001 0.000 0.273 273 L C 0.355 177.292 176.870 0.110 0.000 1.152 273 L CA 0.402 55.222 54.840 -0.035 0.000 0.855 273 L CB 0.451 42.372 42.059 -0.230 0.000 1.129 273 L HN 0.585 nan 8.230 nan 0.000 0.463 274 K N 3.571 124.106 120.400 0.226 0.000 2.535 274 K HA 0.272 4.592 4.320 0.001 0.000 0.250 274 K C 0.843 177.508 176.600 0.107 0.000 0.948 274 K CA -0.579 55.840 56.287 0.220 0.000 0.796 274 K CB 2.492 35.020 32.500 0.047 0.000 1.216 274 K HN 0.583 nan 8.250 nan 0.000 0.432 275 I N -0.451 120.133 120.570 0.023 0.000 2.361 275 I HA -0.197 3.973 4.170 0.001 0.000 0.251 275 I C 1.827 177.828 176.117 -0.194 0.000 1.133 275 I CA 1.554 62.791 61.300 -0.105 0.000 1.413 275 I CB -0.209 37.665 38.000 -0.208 0.000 1.073 275 I HN 0.582 nan 8.210 nan 0.000 0.424 276 A N 1.828 124.440 122.820 -0.347 0.000 1.933 276 A HA -0.155 4.165 4.320 0.001 0.000 0.218 276 A C 2.400 179.612 177.584 -0.621 0.000 1.175 276 A CA 1.733 53.317 52.037 -0.756 0.000 0.628 276 A CB -0.500 17.643 19.000 -1.429 0.000 0.814 276 A HN 0.506 nan 8.150 nan 0.000 0.444 277 K N -0.621 119.592 120.400 -0.312 0.000 2.103 277 K HA 0.050 4.370 4.320 0.001 0.000 0.204 277 K C 2.066 178.657 176.600 -0.015 0.000 1.052 277 K CA 1.051 57.294 56.287 -0.073 0.000 0.945 277 K CB -0.166 32.328 32.500 -0.011 0.000 0.722 277 K HN 0.430 nan 8.250 nan 0.000 0.443 278 A N 0.058 122.861 122.820 -0.027 0.000 2.095 278 A HA 0.221 4.541 4.320 0.001 0.000 0.212 278 A C 1.336 178.922 177.584 0.004 0.000 1.162 278 A CA 0.950 52.991 52.037 0.007 0.000 0.753 278 A CB 0.204 19.218 19.000 0.023 0.000 0.840 278 A HN 0.384 nan 8.150 nan 0.000 0.468 279 G N -2.672 106.111 108.800 -0.029 0.000 2.143 279 G HA2 0.430 4.390 3.960 0.001 0.000 0.175 279 G HA3 0.430 4.390 3.960 0.001 0.000 0.175 279 G C 0.853 175.733 174.900 -0.034 0.000 1.004 279 G CA 0.198 45.288 45.100 -0.016 0.000 0.671 279 G HN 2.281 nan 8.290 nan 0.000 0.512 280 G N -1.613 107.149 108.800 -0.063 0.000 2.347 280 G HA2 0.444 4.404 3.960 0.001 0.000 0.477 280 G HA3 0.444 4.404 3.960 0.001 0.000 0.477 280 G C -1.748 173.099 174.900 -0.089 0.000 1.349 280 G CA 0.198 45.252 45.100 -0.076 0.000 1.000 280 G HN 0.242 nan 8.290 nan 0.000 0.605 281 P HA -0.043 nan 4.420 nan 0.000 0.218 281 P C 1.455 178.712 177.300 -0.072 0.000 1.149 281 P CA 1.466 64.478 63.100 -0.147 0.000 0.817 281 P CB 0.186 31.796 31.700 -0.150 0.000 0.785 282 N N -1.293 117.379 118.700 -0.047 0.000 2.278 282 N HA -0.054 4.686 4.740 0.001 0.000 0.181 282 N C 1.624 177.132 175.510 -0.003 0.000 1.023 282 N CA 0.776 53.814 53.050 -0.020 0.000 0.862 282 N CB -0.045 38.429 38.487 -0.023 0.000 1.003 282 N HN -0.098 nan 8.380 nan 0.000 0.431 283 S N 0.661 116.356 115.700 -0.008 0.000 2.387 283 S HA -0.117 4.353 4.470 0.001 0.000 0.230 283 S C 1.909 176.519 174.600 0.016 0.000 1.035 283 S CA 0.825 59.024 58.200 -0.001 0.000 1.014 283 S CB -0.427 62.772 63.200 -0.002 0.000 0.836 283 S HN 0.273 nan 8.310 nan 0.000 0.466 284 V N 2.002 121.937 119.914 0.035 0.000 2.720 284 V HA -0.078 4.042 4.120 0.001 0.000 0.256 284 V C 1.703 177.868 176.094 0.119 0.000 1.082 284 V CA 1.272 63.629 62.300 0.094 0.000 1.101 284 V CB -0.505 31.420 31.823 0.169 0.000 0.693 284 V HN 0.474 nan 8.190 nan 0.000 0.479 285 L N -0.003 121.276 121.223 0.092 0.000 2.201 285 L HA -0.074 4.266 4.340 0.001 0.000 0.212 285 L C 2.714 179.622 176.870 0.063 0.000 1.105 285 L CA 1.315 56.211 54.840 0.092 0.000 0.775 285 L CB -0.844 41.255 42.059 0.067 0.000 0.913 285 L HN 0.406 nan 8.230 nan 0.000 0.440 286 A N 0.105 122.944 122.820 0.032 0.000 1.898 286 A HA -0.171 4.149 4.320 0.001 0.000 0.216 286 A C 2.322 179.919 177.584 0.022 0.000 1.181 286 A CA 1.241 53.281 52.037 0.004 0.000 0.620 286 A CB -0.562 18.411 19.000 -0.045 0.000 0.819 286 A HN 0.374 nan 8.150 nan 0.000 0.442 287 L N -0.704 120.543 121.223 0.040 0.000 2.056 287 L HA -0.164 4.176 4.340 0.001 0.000 0.207 287 L C 2.894 179.844 176.870 0.134 0.000 1.078 287 L CA 1.473 56.359 54.840 0.077 0.000 0.749 287 L CB -0.526 41.576 42.059 0.072 0.000 0.901 287 L HN 0.434 nan 8.230 nan 0.000 0.433 288 A N -0.033 122.861 122.820 0.124 0.000 1.908 288 A HA -0.230 4.090 4.320 0.001 0.000 0.218 288 A C 2.175 179.817 177.584 0.097 0.000 1.181 288 A CA 1.447 53.557 52.037 0.121 0.000 0.627 288 A CB -0.452 18.620 19.000 0.120 0.000 0.818 288 A HN 0.380 nan 8.150 nan 0.000 0.445 289 R N -0.525 120.022 120.500 0.079 0.000 2.092 289 R HA -0.021 4.320 4.340 0.001 0.000 0.231 289 R C 2.103 178.446 176.300 0.072 0.000 1.119 289 R CA 1.257 57.394 56.100 0.061 0.000 0.970 289 R CB -1.485 28.840 30.300 0.043 0.000 0.864 289 R HN 0.431 nan 8.270 nan 0.000 0.440 290 V N 1.487 121.456 119.914 0.091 0.000 2.343 290 V HA -0.226 3.894 4.120 0.001 0.000 0.247 290 V C 2.534 178.714 176.094 0.144 0.000 1.051 290 V CA 1.892 64.267 62.300 0.127 0.000 1.036 290 V CB -0.885 31.032 31.823 0.157 0.000 0.654 290 V HN 0.307 nan 8.190 nan 0.000 0.451 291 A N -0.842 122.071 122.820 0.155 0.000 1.883 291 A HA -0.309 4.011 4.320 0.001 0.000 0.217 291 A C 2.172 179.767 177.584 0.018 0.000 1.186 291 A CA 2.095 54.176 52.037 0.072 0.000 0.624 291 A CB -0.543 18.500 19.000 0.072 0.000 0.822 291 A HN 0.622 nan 8.150 nan 0.000 0.444 292 Q N -0.775 119.048 119.800 0.039 0.000 2.084 292 Q HA -0.128 4.212 4.340 0.001 0.000 0.202 292 Q C 2.412 178.429 176.000 0.028 0.000 0.978 292 Q CA 1.402 57.220 55.803 0.025 0.000 0.844 292 Q CB -0.409 28.348 28.738 0.031 0.000 0.898 292 Q HN 0.696 nan 8.270 nan 0.000 0.426 293 A N 0.898 123.745 122.820 0.046 0.000 1.972 293 A HA -0.091 4.229 4.320 0.001 0.000 0.219 293 A C 2.107 179.721 177.584 0.051 0.000 1.169 293 A CA 1.597 53.664 52.037 0.050 0.000 0.635 293 A CB -0.491 18.549 19.000 0.067 0.000 0.810 293 A HN 0.380 nan 8.150 nan 0.000 0.446 294 A N -1.936 120.916 122.820 0.053 0.000 2.251 294 A HA 0.433 4.754 4.320 0.001 0.000 0.209 294 A C 1.673 179.259 177.584 0.002 0.000 1.187 294 A CA 1.083 53.145 52.037 0.041 0.000 0.823 294 A CB -0.866 18.170 19.000 0.060 0.000 0.846 294 A HN 1.887 nan 8.150 nan 0.000 0.486 295 G N -0.541 108.255 108.800 -0.007 0.000 2.147 295 G HA2 -0.185 3.775 3.960 0.001 0.000 0.244 295 G HA3 -0.185 3.775 3.960 0.001 0.000 0.244 295 G C -0.052 174.818 174.900 -0.051 0.000 1.005 295 G CA 0.224 45.310 45.100 -0.022 0.000 0.713 295 G HN 0.321 nan 8.290 nan 0.000 0.515 296 I N 1.475 121.991 120.570 -0.091 0.000 2.365 296 I HA 0.454 4.624 4.170 0.001 0.000 0.291 296 I C 1.420 177.478 176.117 -0.098 0.000 1.004 296 I CA -0.044 61.149 61.300 -0.178 0.000 1.311 296 I CB 0.802 38.508 38.000 -0.490 0.000 1.401 296 I HN 0.148 nan 8.210 nan 0.000 0.491 297 G N 6.640 115.442 108.800 0.003 0.000 2.569 297 G HA2 0.480 4.440 3.960 0.001 0.000 0.249 297 G HA3 0.480 4.440 3.960 0.001 0.000 0.249 297 G C -0.358 174.637 174.900 0.158 0.000 1.216 297 G CA -0.521 44.663 45.100 0.139 0.000 0.845 297 G HN 0.515 nan 8.290 nan 0.000 0.568 298 L N 0.098 121.438 121.223 0.194 0.000 2.334 298 L HA 0.540 4.880 4.340 0.001 0.000 0.273 298 L C -0.957 176.064 176.870 0.252 0.000 1.013 298 L CA -1.061 53.872 54.840 0.155 0.000 0.816 298 L CB 2.100 44.183 42.059 0.040 0.000 1.278 298 L HN 0.559 nan 8.230 nan 0.000 0.431 299 Y N 0.312 120.579 120.300 -0.056 0.000 2.433 299 Y HA 0.562 5.113 4.550 0.001 0.000 0.337 299 Y C 0.061 175.698 175.900 -0.438 0.000 1.026 299 Y CA -1.035 56.996 58.100 -0.114 0.000 1.037 299 Y CB 2.118 40.564 38.460 -0.023 0.000 1.245 299 Y HN 0.533 nan 8.280 nan 0.000 0.443 300 G N 3.699 111.884 108.800 -1.024 0.000 2.519 300 G HA2 0.451 4.412 3.960 0.001 0.000 0.306 300 G HA3 0.451 4.412 3.960 0.001 0.000 0.306 300 G C 0.190 174.526 174.900 -0.940 0.000 0.965 300 G CA 0.088 44.232 45.100 -1.593 0.000 1.291 300 G HN 0.966 nan 8.290 nan 0.000 0.450 301 G N 0.417 108.900 108.800 -0.528 0.000 2.528 301 G HA2 0.579 4.539 3.960 0.001 0.000 0.289 301 G HA3 0.579 4.539 3.960 0.001 0.000 0.289 301 G C -0.390 174.529 174.900 0.031 0.000 1.192 301 G CA -0.230 44.742 45.100 -0.212 0.000 0.921 301 G HN 0.661 nan 8.290 nan 0.000 0.512 302 T N -0.672 113.853 114.554 -0.048 0.000 2.883 302 T HA 0.466 4.816 4.350 0.001 0.000 0.296 302 T C 0.181 174.841 174.700 -0.066 0.000 1.117 302 T CA -0.705 61.355 62.100 -0.068 0.000 1.006 302 T CB 1.454 70.200 68.868 -0.202 0.000 1.191 302 T HN 0.184 nan 8.240 nan 0.000 0.508 303 M N 3.115 122.685 119.600 -0.051 0.000 2.496 303 M HA 0.410 4.891 4.480 0.001 0.000 0.330 303 M C 0.249 176.543 176.300 -0.010 0.000 1.133 303 M CA 0.112 55.416 55.300 0.006 0.000 0.964 303 M CB -0.859 31.789 32.600 0.080 0.000 1.401 303 M HN 0.692 nan 8.290 nan 0.000 0.520 304 L N 0.630 121.802 121.223 -0.084 0.000 3.512 304 L HA -0.237 4.103 4.340 0.001 0.000 0.446 304 L C -0.259 176.594 176.870 -0.028 0.000 1.290 304 L CA 0.094 54.883 54.840 -0.085 0.000 0.871 304 L CB -1.741 40.296 42.059 -0.036 0.000 1.767 304 L HN 0.269 nan 8.230 nan 0.000 0.855 305 E N 0.261 120.441 120.200 -0.033 0.000 2.409 305 E HA 0.427 4.777 4.350 0.001 0.000 0.257 305 E C 1.018 177.623 176.600 0.008 0.000 1.150 305 E CA 0.802 57.199 56.400 -0.005 0.000 0.942 305 E CB 0.487 30.173 29.700 -0.023 0.000 0.979 305 E HN 0.295 nan 8.360 nan 0.000 0.447 306 G N -0.162 108.650 108.800 0.020 0.000 2.504 306 G HA2 0.030 3.990 3.960 0.001 0.000 0.257 306 G HA3 0.030 3.990 3.960 0.001 0.000 0.257 306 G C 0.751 175.677 174.900 0.042 0.000 1.451 306 G CA -0.011 45.106 45.100 0.029 0.000 1.059 306 G HN 0.484 nan 8.290 nan 0.000 0.550 307 T N -0.391 114.194 114.554 0.052 0.000 2.746 307 T HA -0.142 4.208 4.350 0.001 0.000 0.267 307 T C 2.585 177.304 174.700 0.032 0.000 1.039 307 T CA 1.428 63.565 62.100 0.061 0.000 1.142 307 T CB -0.273 68.632 68.868 0.060 0.000 0.866 307 T HN 0.129 nan 8.240 nan 0.000 0.444 308 V N 1.399 121.327 119.914 0.024 0.000 2.233 308 V HA -0.133 3.987 4.120 0.001 0.000 0.247 308 V C 2.896 178.986 176.094 -0.006 0.000 1.050 308 V CA 2.148 64.457 62.300 0.015 0.000 1.010 308 V CB -1.378 30.460 31.823 0.024 0.000 0.637 308 V HN 0.594 nan 8.190 nan 0.000 0.444 309 G N -1.079 107.714 108.800 -0.011 0.000 2.432 309 G HA2 -0.207 3.753 3.960 0.001 0.000 0.219 309 G HA3 -0.207 3.753 3.960 0.001 0.000 0.219 309 G C 1.673 176.527 174.900 -0.077 0.000 1.135 309 G CA 1.447 46.520 45.100 -0.046 0.000 0.767 309 G HN 0.480 nan 8.290 nan 0.000 0.550 310 T N 0.209 114.738 114.554 -0.042 0.000 2.737 310 T HA -0.093 4.258 4.350 0.001 0.000 0.265 310 T C 2.367 177.011 174.700 -0.093 0.000 1.038 310 T CA 1.126 63.200 62.100 -0.044 0.000 1.144 310 T CB -0.323 68.572 68.868 0.046 0.000 0.866 310 T HN 0.045 nan 8.240 nan 0.000 0.434 311 V N 1.433 121.309 119.914 -0.064 0.000 2.515 311 V HA -0.081 4.039 4.120 0.001 0.000 0.250 311 V C 2.634 178.684 176.094 -0.072 0.000 1.058 311 V CA 1.779 64.022 62.300 -0.096 0.000 1.064 311 V CB -0.943 30.858 31.823 -0.036 0.000 0.675 311 V HN 0.510 nan 8.190 nan 0.000 0.461 312 A N -0.709 122.077 122.820 -0.057 0.000 1.908 312 A HA -0.197 4.124 4.320 0.001 0.000 0.218 312 A C 2.451 179.876 177.584 -0.266 0.000 1.181 312 A CA 2.426 54.416 52.037 -0.078 0.000 0.627 312 A CB -0.814 18.124 19.000 -0.103 0.000 0.818 312 A HN 0.589 nan 8.150 nan 0.000 0.445 313 S N -0.297 115.147 115.700 -0.427 0.000 2.368 313 S HA -0.096 4.374 4.470 0.001 0.000 0.224 313 S C 1.771 175.678 174.600 -1.155 0.000 1.029 313 S CA 1.278 58.916 58.200 -0.937 0.000 0.988 313 S CB -0.375 62.364 63.200 -0.769 0.000 0.838 313 S HN 0.344 nan 8.310 nan 0.000 0.462 314 L N 1.855 122.717 121.223 -0.603 0.000 2.042 314 L HA -0.119 4.222 4.340 0.001 0.000 0.210 314 L C 2.263 178.961 176.870 -0.288 0.000 1.076 314 L CA 1.745 56.367 54.840 -0.364 0.000 0.749 314 L CB -1.371 40.529 42.059 -0.264 0.000 0.893 314 L HN 0.407 nan 8.230 nan 0.000 0.432 315 H N -1.128 117.803 119.070 -0.231 0.000 2.387 315 H HA -0.056 4.500 4.556 0.000 0.000 0.299 315 H C 2.043 177.296 175.328 -0.126 0.000 1.090 315 H CA 1.488 57.450 56.048 -0.144 0.000 1.332 315 H CB 0.061 29.742 29.762 -0.135 0.000 1.386 315 H HN 0.356 nan 8.280 nan 0.000 0.516 316 A N 0.588 123.331 122.820 -0.128 0.000 1.872 316 A HA -0.140 4.181 4.320 0.001 0.000 0.214 316 A C 2.407 180.102 177.584 0.185 0.000 1.187 316 A CA 0.893 52.889 52.037 -0.068 0.000 0.614 316 A CB -1.248 17.586 19.000 -0.276 0.000 0.826 316 A HN 0.511 nan 8.150 nan 0.000 0.442 317 W N 1.042 122.338 121.300 -0.008 0.000 2.350 317 W HA -0.208 4.452 4.660 0.001 0.000 0.289 317 W C 2.784 179.294 176.519 -0.015 0.000 1.215 317 W CA 0.889 58.223 57.345 -0.018 0.000 1.236 317 W CB -0.227 29.207 29.460 -0.043 0.000 1.130 317 W HN 0.539 nan 8.180 nan 0.000 0.541 318 S N 0.079 115.896 115.700 0.195 0.000 2.442 318 S HA -0.214 4.256 4.470 0.001 0.000 0.236 318 S C 1.599 176.254 174.600 0.092 0.000 1.007 318 S CA 1.679 59.940 58.200 0.102 0.000 0.965 318 S CB -1.103 62.118 63.200 0.036 0.000 0.773 318 S HN 0.314 nan 8.310 nan 0.000 0.504 319 T N -0.688 113.933 114.554 0.111 0.000 3.129 319 T HA 0.423 4.773 4.350 0.001 0.000 0.251 319 T C 0.345 175.097 174.700 0.086 0.000 1.117 319 T CA -0.313 61.838 62.100 0.086 0.000 1.034 319 T CB -0.499 68.418 68.868 0.081 0.000 0.968 319 T HN 0.375 nan 8.240 nan 0.000 0.526 320 L N 1.618 122.906 121.223 0.108 0.000 2.341 320 L HA 0.567 4.907 4.340 0.001 0.000 0.267 320 L C -2.572 174.327 176.870 0.048 0.000 1.009 320 L CA -2.895 51.994 54.840 0.081 0.000 0.819 320 L CB 2.140 44.261 42.059 0.104 0.000 1.323 320 L HN -0.169 nan 8.230 nan 0.000 0.425 321 P HA 0.229 nan 4.420 nan 0.000 0.287 321 P C -1.070 176.225 177.300 -0.009 0.000 1.307 321 P CA -0.082 63.019 63.100 0.001 0.000 0.777 321 P CB 0.676 32.372 31.700 -0.007 0.000 0.883 322 L N 3.819 125.030 121.223 -0.019 0.000 2.321 322 L HA 0.253 4.594 4.340 0.001 0.000 0.272 322 L C 2.053 178.898 176.870 -0.043 0.000 1.050 322 L CA -0.356 54.470 54.840 -0.023 0.000 0.893 322 L CB 0.909 42.935 42.059 -0.055 0.000 1.272 322 L HN 0.423 nan 8.230 nan 0.000 0.435 323 Q N 2.207 121.949 119.800 -0.097 0.000 2.152 323 Q HA -0.194 4.146 4.340 0.001 0.000 0.206 323 Q C 0.810 176.536 176.000 -0.456 0.000 0.985 323 Q CA 2.274 57.884 55.803 -0.322 0.000 0.863 323 Q CB 0.079 28.541 28.738 -0.461 0.000 0.904 323 Q HN 0.708 nan 8.270 nan 0.000 0.422 324 W N 0.143 121.474 121.300 0.052 0.000 3.316 324 W HA 0.338 4.998 4.660 0.000 0.000 0.327 324 W C 1.035 177.685 176.519 0.219 0.000 1.232 324 W CA 0.253 57.661 57.345 0.105 0.000 1.805 324 W CB 0.127 29.625 29.460 0.063 0.000 1.090 324 W HN 0.412 nan 8.180 nan 0.000 0.654 325 G N 1.045 109.981 108.800 0.227 0.000 2.562 325 G HA2 -0.126 3.834 3.960 0.001 0.000 0.250 325 G HA3 -0.126 3.834 3.960 0.001 0.000 0.250 325 G C 0.001 174.921 174.900 0.033 0.000 1.269 325 G CA 0.191 45.377 45.100 0.144 0.000 0.919 325 G HN 0.424 nan 8.290 nan 0.000 0.574 326 T N -2.805 111.739 114.554 -0.016 0.000 2.841 326 T HA 0.725 5.075 4.350 0.001 0.000 0.296 326 T C -0.017 174.649 174.700 -0.058 0.000 1.166 326 T CA 0.431 62.386 62.100 -0.243 0.000 1.007 326 T CB 2.068 70.894 68.868 -0.069 0.000 1.253 326 T HN 1.521 nan 8.240 nan 0.000 0.511 327 E N 1.140 121.248 120.200 -0.154 0.000 3.385 327 E HA 0.252 4.602 4.350 0.001 0.000 0.206 327 E C -0.101 176.369 176.600 -0.217 0.000 0.997 327 E CA -0.809 55.608 56.400 0.028 0.000 1.278 327 E CB 0.163 29.888 29.700 0.041 0.000 1.165 327 E HN 0.343 nan 8.360 nan 0.000 0.452 328 M N 1.822 121.430 119.600 0.013 0.000 3.706 328 M HA 0.186 4.666 4.480 0.001 0.000 0.204 328 M C -0.294 176.116 176.300 0.184 0.000 1.455 328 M CA -0.333 54.989 55.300 0.035 0.000 1.659 328 M CB -1.550 31.149 32.600 0.166 0.000 1.076 328 M HN 0.366 nan 8.290 nan 0.000 0.577 329 F N -2.621 117.434 119.950 0.176 0.000 2.639 329 F HA 0.524 5.051 4.527 0.000 0.000 0.302 329 F C 1.377 177.198 175.800 0.036 0.000 1.097 329 F CA -0.825 57.229 58.000 0.090 0.000 1.294 329 F CB -1.183 37.958 39.000 0.235 0.000 1.027 329 F HN 0.276 nan 8.300 nan 0.000 0.550 330 G N 2.173 110.922 108.800 -0.084 0.000 2.513 330 G HA2 -0.235 3.725 3.960 0.001 0.000 0.219 330 G HA3 -0.235 3.725 3.960 0.001 0.000 0.219 330 G C -0.619 174.331 174.900 0.083 0.000 1.160 330 G CA 1.171 46.269 45.100 -0.003 0.000 0.767 330 G HN 0.318 nan 8.290 nan 0.000 0.571 331 P HA -0.044 nan 4.420 nan 0.000 0.216 331 P C 1.892 179.206 177.300 0.023 0.000 1.150 331 P CA 0.657 63.801 63.100 0.073 0.000 0.837 331 P CB -0.152 31.654 31.700 0.176 0.000 0.786 332 L N -1.631 119.560 121.223 -0.053 0.000 2.450 332 L HA -0.107 4.233 4.340 0.001 0.000 0.224 332 L C 1.888 178.827 176.870 0.116 0.000 1.149 332 L CA 0.876 55.688 54.840 -0.046 0.000 0.816 332 L CB -0.699 41.282 42.059 -0.131 0.000 0.932 332 L HN 0.042 nan 8.230 nan 0.000 0.449 333 L N -0.654 120.668 121.223 0.164 0.000 2.567 333 L HA 0.144 4.485 4.340 0.001 0.000 0.225 333 L C 0.600 177.521 176.870 0.085 0.000 1.119 333 L CA -0.045 54.892 54.840 0.162 0.000 0.871 333 L CB 0.052 42.215 42.059 0.173 0.000 1.036 333 L HN 0.160 nan 8.230 nan 0.000 0.459 334 L N -0.258 120.997 121.223 0.054 0.000 2.343 334 L HA 0.266 4.607 4.340 0.001 0.000 0.275 334 L C 0.985 177.862 176.870 0.011 0.000 1.056 334 L CA -0.393 54.457 54.840 0.017 0.000 0.804 334 L CB 1.540 43.594 42.059 -0.008 0.000 1.203 334 L HN -0.034 nan 8.230 nan 0.000 0.440 335 K N 0.127 120.526 120.400 -0.001 0.000 2.314 335 K HA 0.081 4.402 4.320 0.001 0.000 0.198 335 K C -0.308 176.295 176.600 0.005 0.000 1.045 335 K CA 0.515 56.810 56.287 0.013 0.000 0.988 335 K CB 0.217 32.734 32.500 0.029 0.000 0.783 335 K HN 0.506 nan 8.250 nan 0.000 0.484 336 D N -0.651 119.722 120.400 -0.045 0.000 2.623 336 D HA 0.216 4.857 4.640 0.001 0.000 0.241 336 D C -1.806 174.412 176.300 -0.137 0.000 1.241 336 D CA -0.471 53.495 54.000 -0.057 0.000 0.788 336 D CB 1.897 42.691 40.800 -0.009 0.000 1.413 336 D HN -0.205 nan 8.370 nan 0.000 0.429 337 D N -0.133 120.227 120.400 -0.067 0.000 2.714 337 D HA 0.384 5.024 4.640 0.001 0.000 0.278 337 D C 0.278 176.577 176.300 -0.001 0.000 1.102 337 D CA -0.420 53.545 54.000 -0.059 0.000 1.108 337 D CB 1.353 42.151 40.800 -0.003 0.000 1.444 337 D HN 0.303 nan 8.370 nan 0.000 0.568 338 I N -0.616 119.960 120.570 0.010 0.000 3.889 338 I HA 0.253 4.423 4.170 0.001 0.000 0.332 338 I C 0.173 176.291 176.117 0.002 0.000 1.493 338 I CA -0.554 60.763 61.300 0.028 0.000 1.158 338 I CB 0.041 38.046 38.000 0.009 0.000 1.117 338 I HN 0.087 nan 8.210 nan 0.000 0.411 339 V N -1.510 118.411 119.914 0.011 0.000 2.850 339 V HA 0.658 4.779 4.120 0.001 0.000 0.315 339 V C 1.407 177.506 176.094 0.008 0.000 1.064 339 V CA 0.137 62.441 62.300 0.007 0.000 0.979 339 V CB 1.315 33.148 31.823 0.017 0.000 1.039 339 V HN 0.306 nan 8.190 nan 0.000 0.452 340 S N 1.801 117.502 115.700 0.001 0.000 2.387 340 S HA 0.092 4.562 4.470 0.001 0.000 0.226 340 S C 0.583 175.187 174.600 0.008 0.000 1.026 340 S CA 0.773 58.973 58.200 0.001 0.000 0.972 340 S CB -0.167 63.030 63.200 -0.005 0.000 0.814 340 S HN 0.958 nan 8.310 nan 0.000 0.477 341 V N 3.895 123.816 119.914 0.011 0.000 2.569 341 V HA 0.499 4.620 4.120 0.001 0.000 0.301 341 V C -2.379 173.729 176.094 0.024 0.000 1.044 341 V CA -1.882 60.427 62.300 0.015 0.000 0.874 341 V CB 1.924 33.752 31.823 0.008 0.000 1.002 341 V HN 0.296 nan 8.190 nan 0.000 0.424 342 P HA 0.413 nan 4.420 nan 0.000 0.277 342 P C -0.477 176.852 177.300 0.049 0.000 1.271 342 P CA -0.480 62.658 63.100 0.064 0.000 0.795 342 P CB 1.274 33.032 31.700 0.096 0.000 1.101 343 L N 0.210 121.468 121.223 0.058 0.000 2.464 343 L HA 0.253 4.593 4.340 0.001 0.000 0.264 343 L C 1.149 177.984 176.870 -0.058 0.000 1.199 343 L CA -0.205 54.590 54.840 -0.074 0.000 0.818 343 L CB 0.118 42.038 42.059 -0.232 0.000 1.102 343 L HN 0.475 nan 8.230 nan 0.000 0.473 344 T N -1.158 113.295 114.554 -0.168 0.000 2.743 344 T HA 0.539 4.889 4.350 0.001 0.000 0.292 344 T C -0.622 173.965 174.700 -0.188 0.000 0.972 344 T CA -0.497 61.559 62.100 -0.074 0.000 0.967 344 T CB 0.122 68.960 68.868 -0.050 0.000 0.926 344 T HN 0.156 nan 8.240 nan 0.000 0.459 345 F N 2.175 122.130 119.950 0.008 0.000 2.421 345 F HA 0.740 5.267 4.527 0.000 0.000 0.337 345 F C 0.587 176.385 175.800 -0.003 0.000 1.105 345 F CA -0.567 57.440 58.000 0.012 0.000 1.049 345 F CB 1.873 40.889 39.000 0.026 0.000 1.139 345 F HN 0.993 nan 8.300 nan 0.000 0.479 346 A N 2.150 125.063 122.820 0.155 0.000 2.582 346 A HA 0.482 4.802 4.320 0.001 0.000 0.297 346 A C -0.648 176.972 177.584 0.059 0.000 1.059 346 A CA -0.838 51.247 52.037 0.081 0.000 0.705 346 A CB 0.833 19.858 19.000 0.041 0.000 1.279 346 A HN 0.812 nan 8.150 nan 0.000 0.404 347 D N 1.192 121.614 120.400 0.037 0.000 2.735 347 D HA 0.041 4.682 4.640 0.001 0.000 0.235 347 D C 1.238 177.558 176.300 0.034 0.000 1.175 347 D CA 2.814 56.828 54.000 0.023 0.000 0.683 347 D CB -0.959 39.849 40.800 0.014 0.000 1.008 347 D HN 2.475 nan 8.370 nan 0.000 0.416 348 G N 0.090 108.920 108.800 0.051 0.000 2.258 348 G HA2 -0.334 3.627 3.960 0.001 0.000 0.274 348 G HA3 -0.334 3.627 3.960 0.001 0.000 0.274 348 G C 0.231 175.192 174.900 0.102 0.000 1.021 348 G CA 0.975 46.117 45.100 0.070 0.000 0.798 348 G HN 0.678 nan 8.290 nan 0.000 0.507 349 Q N -2.159 117.710 119.800 0.115 0.000 2.553 349 Q HA 0.759 5.100 4.340 0.001 0.000 0.293 349 Q C -1.138 174.898 176.000 0.061 0.000 1.038 349 Q CA -0.893 54.961 55.803 0.085 0.000 0.777 349 Q CB 3.080 31.835 28.738 0.028 0.000 1.487 349 Q HN 0.505 nan 8.270 nan 0.000 0.426 350 V N 0.072 119.951 119.914 -0.059 0.000 2.760 350 V HA 0.814 4.934 4.120 0.001 0.000 0.309 350 V C -1.554 174.401 176.094 -0.232 0.000 1.077 350 V CA -0.445 61.668 62.300 -0.312 0.000 0.910 350 V CB 1.814 33.320 31.823 -0.528 0.000 1.008 350 V HN 0.869 nan 8.190 nan 0.000 0.424 351 A N 5.945 128.611 122.820 -0.256 0.000 2.320 351 A HA 0.691 5.012 4.320 0.001 0.000 0.287 351 A C -0.667 176.798 177.584 -0.199 0.000 1.181 351 A CA -0.336 51.597 52.037 -0.173 0.000 0.831 351 A CB 0.711 19.632 19.000 -0.131 0.000 1.102 351 A HN 1.190 nan 8.150 nan 0.000 0.513 352 L N 5.285 126.407 121.223 -0.169 0.000 2.278 352 L HA 0.493 4.833 4.340 0.001 0.000 0.287 352 L C -2.274 174.500 176.870 -0.160 0.000 1.072 352 L CA -1.619 53.089 54.840 -0.220 0.000 0.819 352 L CB 0.587 42.509 42.059 -0.229 0.000 1.176 352 L HN 0.396 nan 8.230 nan 0.000 0.435 353 P HA 0.100 nan 4.420 nan 0.000 0.267 353 P C -0.735 176.582 177.300 0.028 0.000 1.200 353 P CA -0.012 63.064 63.100 -0.041 0.000 0.772 353 P CB 0.442 32.142 31.700 -0.000 0.000 0.855 354 Q N 0.029 119.849 119.800 0.034 0.000 2.115 354 Q HA 0.130 4.470 4.340 0.001 0.000 0.249 354 Q C 0.230 176.252 176.000 0.038 0.000 0.830 354 Q CA 0.126 55.962 55.803 0.053 0.000 1.104 354 Q CB 0.259 29.011 28.738 0.023 0.000 1.207 354 Q HN 0.576 nan 8.270 nan 0.000 0.464 355 T N -2.332 112.244 114.554 0.037 0.000 2.849 355 T HA 0.556 4.906 4.350 0.001 0.000 0.276 355 T C -2.557 172.147 174.700 0.008 0.000 0.971 355 T CA -2.100 60.010 62.100 0.017 0.000 0.949 355 T CB 1.018 69.893 68.868 0.011 0.000 1.093 355 T HN -0.171 nan 8.240 nan 0.000 0.545 356 P HA 0.348 nan 4.420 nan 0.000 0.264 356 P C 0.954 178.229 177.300 -0.042 0.000 1.193 356 P CA 1.527 64.612 63.100 -0.025 0.000 0.763 356 P CB -0.102 31.587 31.700 -0.019 0.000 0.810 357 G N 2.245 110.995 108.800 -0.083 0.000 2.525 357 G HA2 -0.302 3.658 3.960 0.001 0.000 0.248 357 G HA3 -0.302 3.658 3.960 0.001 0.000 0.248 357 G C 0.749 175.537 174.900 -0.187 0.000 1.238 357 G CA -0.030 44.998 45.100 -0.121 0.000 0.926 357 G HN 0.445 nan 8.290 nan 0.000 0.574 358 L N 1.447 122.596 121.223 -0.123 0.000 2.201 358 L HA 0.264 4.605 4.340 0.001 0.000 0.212 358 L C 2.616 179.583 176.870 0.161 0.000 1.105 358 L CA 1.716 56.537 54.840 -0.031 0.000 0.775 358 L CB -0.611 41.456 42.059 0.013 0.000 0.913 358 L HN 2.218 nan 8.230 nan 0.000 0.440 359 G N 0.023 108.861 108.800 0.063 0.000 2.157 359 G HA2 -0.214 3.747 3.960 0.001 0.000 0.239 359 G HA3 -0.214 3.747 3.960 0.001 0.000 0.239 359 G C 0.121 175.042 174.900 0.035 0.000 0.982 359 G CA 0.059 45.196 45.100 0.062 0.000 0.650 359 G HN 0.292 nan 8.290 nan 0.000 0.527 360 V N -2.932 117.000 119.914 0.029 0.000 3.040 360 V HA 0.972 5.093 4.120 0.001 0.000 0.312 360 V C -0.536 175.565 176.094 0.012 0.000 1.115 360 V CA -1.266 61.045 62.300 0.018 0.000 0.998 360 V CB 2.183 34.019 31.823 0.021 0.000 1.042 360 V HN 0.336 nan 8.190 nan 0.000 0.433 361 E N 1.401 121.605 120.200 0.007 0.000 2.256 361 E HA 0.645 4.995 4.350 0.001 0.000 0.267 361 E C -1.292 175.305 176.600 -0.005 0.000 0.892 361 E CA -0.825 55.577 56.400 0.002 0.000 0.775 361 E CB 1.954 31.654 29.700 -0.000 0.000 1.207 361 E HN 0.916 nan 8.360 nan 0.000 0.420 362 L N 3.424 124.639 121.223 -0.013 0.000 2.360 362 L HA 0.241 4.581 4.340 0.001 0.000 0.276 362 L C -0.495 176.339 176.870 -0.061 0.000 1.121 362 L CA 0.382 55.198 54.840 -0.039 0.000 0.845 362 L CB 0.675 42.706 42.059 -0.047 0.000 1.143 362 L HN 0.460 nan 8.230 nan 0.000 0.452 363 D N 4.434 124.793 120.400 -0.069 0.000 2.441 363 D HA 0.045 4.685 4.640 0.001 0.000 0.221 363 D C 0.825 177.041 176.300 -0.141 0.000 1.156 363 D CA 0.020 53.978 54.000 -0.069 0.000 0.896 363 D CB 0.673 41.453 40.800 -0.033 0.000 1.028 363 D HN 0.685 nan 8.370 nan 0.000 0.509 364 E N 1.925 122.024 120.200 -0.168 0.000 2.171 364 E HA -0.193 4.157 4.350 0.001 0.000 0.197 364 E C 0.783 177.197 176.600 -0.310 0.000 0.997 364 E CA 1.004 57.214 56.400 -0.316 0.000 0.810 364 E CB 0.378 29.983 29.700 -0.159 0.000 0.738 364 E HN 0.542 nan 8.360 nan 0.000 0.467 365 D N 0.534 120.873 120.400 -0.102 0.000 2.097 365 D HA -0.121 4.520 4.640 0.001 0.000 0.197 365 D C 1.771 178.048 176.300 -0.037 0.000 0.984 365 D CA 1.077 55.063 54.000 -0.023 0.000 0.826 365 D CB -0.063 40.720 40.800 -0.028 0.000 0.973 365 D HN 0.129 nan 8.370 nan 0.000 0.460 366 K N 0.172 120.544 120.400 -0.047 0.000 2.097 366 K HA -0.083 4.238 4.320 0.001 0.000 0.205 366 K C 2.104 178.752 176.600 0.080 0.000 1.050 366 K CA 0.166 56.488 56.287 0.058 0.000 0.938 366 K CB -0.146 32.446 32.500 0.153 0.000 0.718 366 K HN 0.007 nan 8.250 nan 0.000 0.442 367 L N 1.449 122.586 121.223 -0.143 0.000 1.990 367 L HA -0.237 4.104 4.340 0.001 0.000 0.213 367 L C 2.203 178.903 176.870 -0.283 0.000 1.072 367 L CA 1.972 56.627 54.840 -0.309 0.000 0.755 367 L CB -0.597 41.049 42.059 -0.688 0.000 0.889 367 L HN 0.268 nan 8.230 nan 0.000 0.432 368 H N -1.660 117.319 119.070 -0.153 0.000 2.389 368 H HA -0.161 4.396 4.556 0.001 0.000 0.299 368 H C 2.086 177.384 175.328 -0.049 0.000 1.081 368 H CA 1.715 57.693 56.048 -0.117 0.000 1.345 368 H CB -0.711 29.001 29.762 -0.084 0.000 1.393 368 H HN 0.455 nan 8.280 nan 0.000 0.520 369 F N 1.160 121.055 119.950 -0.091 0.000 2.102 369 F HA -0.245 4.283 4.527 0.000 0.000 0.298 369 F C 1.631 177.268 175.800 -0.270 0.000 1.105 369 F CA 1.303 59.156 58.000 -0.245 0.000 1.239 369 F CB -0.386 38.336 39.000 -0.464 0.000 0.991 369 F HN -0.013 nan 8.300 nan 0.000 0.474 370 Y N 0.019 120.341 120.300 0.035 0.000 2.490 370 Y HA 0.159 4.709 4.550 0.001 0.000 0.281 370 Y C 1.100 176.973 175.900 -0.045 0.000 1.174 370 Y CA -0.026 58.048 58.100 -0.044 0.000 1.295 370 Y CB -1.192 37.309 38.460 0.068 0.000 1.062 370 Y HN -0.245 nan 8.280 nan 0.000 0.522 371 T N 1.245 115.844 114.554 0.075 0.000 2.928 371 T HA -0.019 4.331 4.350 0.001 0.000 0.305 371 T C 1.507 176.248 174.700 0.068 0.000 1.035 371 T CA -0.103 62.051 62.100 0.090 0.000 1.145 371 T CB 1.053 69.976 68.868 0.093 0.000 0.963 371 T HN 0.361 nan 8.240 nan 0.000 0.545 372 R N 1.652 122.208 120.500 0.094 0.000 2.055 372 R HA -0.039 4.302 4.340 0.001 0.000 0.228 372 R C 1.266 177.597 176.300 0.051 0.000 1.143 372 R CA 1.032 57.169 56.100 0.062 0.000 0.945 372 R CB 0.020 30.362 30.300 0.070 0.000 0.841 372 R HN 0.588 nan 8.270 nan 0.000 0.429 373 Q N 0.000 119.847 119.800 0.079 0.000 2.315 373 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 373 Q CA 0.000 55.842 55.803 0.065 0.000 1.022 373 Q CB 0.000 28.782 28.738 0.073 0.000 1.108 373 Q HN 0.000 nan 8.270 nan 0.000 0.481