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_B 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 -0.003 0.000 0.831 6 T N -1.325 113.228 114.554 -0.003 0.000 2.926 6 T HA 0.750 5.095 4.350 -0.009 0.000 0.289 6 T C -0.112 174.586 174.700 -0.004 0.000 1.054 6 T CA -0.270 61.828 62.100 -0.003 0.000 1.015 6 T CB 1.423 70.289 68.868 -0.003 0.000 1.167 6 T HN 2.009 nan 8.240 nan 0.000 0.526 7 V N 1.105 121.016 119.914 -0.004 0.000 2.427 7 V HA 0.313 4.428 4.120 -0.009 0.000 0.268 7 V C 1.033 177.122 176.094 -0.008 0.000 1.046 7 V CA 0.078 62.374 62.300 -0.006 0.000 0.970 7 V CB 0.245 32.064 31.823 -0.007 0.000 1.001 7 V HN 1.081 nan 8.190 nan 0.000 0.476 8 E N 4.242 124.438 120.200 -0.007 0.000 2.140 8 E HA 0.102 4.446 4.350 -0.009 0.000 0.191 8 E C 0.561 177.152 176.600 -0.015 0.000 0.973 8 E CA 0.279 56.673 56.400 -0.009 0.000 0.829 8 E CB 0.455 30.152 29.700 -0.004 0.000 0.781 8 E HN 0.800 nan 8.360 nan 0.000 0.466 9 Q N -0.142 119.649 119.800 -0.016 0.000 2.435 9 Q HA 0.475 4.810 4.340 -0.009 0.000 0.282 9 Q C -1.919 174.060 176.000 -0.036 0.000 1.020 9 Q CA -0.462 55.324 55.803 -0.028 0.000 0.820 9 Q CB 1.825 30.549 28.738 -0.023 0.000 1.436 9 Q HN 0.117 nan 8.270 nan 0.000 0.395 10 I N 2.158 122.690 120.570 -0.064 0.000 2.499 10 I HA 0.441 4.606 4.170 -0.009 0.000 0.288 10 I C -0.745 175.276 176.117 -0.161 0.000 1.048 10 I CA -0.575 60.674 61.300 -0.085 0.000 1.062 10 I CB 2.243 40.200 38.000 -0.072 0.000 1.238 10 I HN 0.558 nan 8.210 nan 0.000 0.426 11 E N 4.130 124.191 120.200 -0.232 0.000 2.227 11 E HA 0.664 5.009 4.350 -0.009 0.000 0.268 11 E C -1.084 175.105 176.600 -0.685 0.000 0.907 11 E CA -0.707 55.387 56.400 -0.511 0.000 0.786 11 E CB 2.456 31.784 29.700 -0.619 0.000 1.191 11 E HN 0.621 nan 8.360 nan 0.000 0.411 12 S N 1.434 116.621 115.700 -0.856 0.000 2.546 12 S HA 0.649 5.114 4.470 -0.009 0.000 0.274 12 S C -1.347 172.883 174.600 -0.616 0.000 1.121 12 S CA -0.997 56.872 58.200 -0.551 0.000 0.887 12 S CB 1.305 64.378 63.200 -0.211 0.000 1.094 12 S HN 0.507 nan 8.310 nan 0.000 0.474 13 W N 1.189 122.511 121.300 0.037 0.000 3.138 13 W HA 0.481 5.136 4.660 -0.008 0.000 0.331 13 W C -1.191 175.356 176.519 0.046 0.000 1.166 13 W CA -1.026 56.345 57.345 0.045 0.000 1.212 13 W CB 1.709 31.199 29.460 0.049 0.000 1.399 13 W HN 0.577 nan 8.180 nan 0.000 0.514 14 I N 2.923 123.654 120.570 0.268 0.000 2.325 14 I HA 0.239 4.403 4.170 -0.009 0.000 0.291 14 I C -0.153 176.070 176.117 0.176 0.000 1.019 14 I CA -0.641 60.765 61.300 0.177 0.000 1.302 14 I CB 1.036 39.109 38.000 0.122 0.000 1.401 14 I HN -0.110 nan 8.210 nan 0.000 0.485 15 V N 5.665 125.667 119.914 0.146 0.000 2.448 15 V HA 0.292 4.407 4.120 -0.009 0.000 0.295 15 V C -0.521 175.620 176.094 0.080 0.000 1.025 15 V CA -0.759 61.614 62.300 0.121 0.000 0.859 15 V CB 1.803 33.690 31.823 0.105 0.000 0.988 15 V HN 0.567 nan 8.190 nan 0.000 0.431 16 D N 4.220 124.671 120.400 0.084 0.000 2.412 16 D HA 0.400 5.035 4.640 -0.009 0.000 0.224 16 D C -0.128 176.170 176.300 -0.003 0.000 1.093 16 D CA 0.041 54.069 54.000 0.046 0.000 0.850 16 D CB 2.086 42.920 40.800 0.057 0.000 1.046 16 D HN 0.460 nan 8.370 nan 0.000 0.507 17 V N 0.518 120.366 119.914 -0.111 0.000 2.630 17 V HA 0.662 4.777 4.120 -0.009 0.000 0.305 17 V C -2.516 173.482 176.094 -0.162 0.000 1.046 17 V CA -2.298 59.812 62.300 -0.317 0.000 0.934 17 V CB 1.874 33.476 31.823 -0.369 0.000 1.003 17 V HN 0.221 nan 8.190 nan 0.000 0.451 18 P HA 0.264 nan 4.420 nan 0.000 0.275 18 P C -0.117 177.169 177.300 -0.024 0.000 1.227 18 P CA 0.327 63.409 63.100 -0.030 0.000 0.781 18 P CB 1.088 32.809 31.700 0.035 0.000 0.906 19 T N 0.267 114.826 114.554 0.009 0.000 2.948 19 T HA 0.617 4.962 4.350 -0.009 0.000 0.285 19 T C 1.025 175.747 174.700 0.037 0.000 1.019 19 T CA -0.997 61.117 62.100 0.023 0.000 1.013 19 T CB 0.611 69.498 68.868 0.030 0.000 1.117 19 T HN 0.423 nan 8.240 nan 0.000 0.533 33 Q N 1.287 121.090 119.800 0.005 0.000 2.333 33 Q HA 0.724 5.058 4.340 -0.009 0.000 0.267 33 Q C -0.981 175.029 176.000 0.016 0.000 1.012 33 Q CA 0.143 55.954 55.803 0.014 0.000 0.824 33 Q CB 1.677 30.418 28.738 0.006 0.000 1.290 33 Q HN 0.733 nan 8.270 nan 0.000 0.449 34 S N 4.549 120.271 115.700 0.036 0.000 2.420 34 S HA 0.558 5.023 4.470 -0.009 0.000 0.313 34 S C -0.647 173.989 174.600 0.060 0.000 1.079 34 S CA -0.621 57.608 58.200 0.048 0.000 1.104 34 S CB 0.044 63.276 63.200 0.053 0.000 0.969 34 S HN 0.584 nan 8.310 nan 0.000 0.471 35 L N 2.655 123.916 121.223 0.062 0.000 2.331 35 L HA 0.675 5.010 4.340 -0.009 0.000 0.275 35 L C -0.582 176.350 176.870 0.104 0.000 1.022 35 L CA -1.143 53.743 54.840 0.075 0.000 0.812 35 L CB 1.288 43.380 42.059 0.056 0.000 1.257 35 L HN 0.234 nan 8.230 nan 0.000 0.435 36 V N 4.068 124.051 119.914 0.114 0.000 2.311 36 V HA 0.346 4.461 4.120 -0.009 0.000 0.275 36 V C 0.174 176.355 176.094 0.144 0.000 1.022 36 V CA -0.368 62.012 62.300 0.133 0.000 0.830 36 V CB 1.329 33.222 31.823 0.117 0.000 1.012 36 V HN 0.411 nan 8.190 nan 0.000 0.452 37 I N 5.551 126.247 120.570 0.210 0.000 2.385 37 I HA 0.498 4.663 4.170 -0.009 0.000 0.294 37 I C 0.050 176.346 176.117 0.299 0.000 0.988 37 I CA -0.386 61.062 61.300 0.246 0.000 1.265 37 I CB 1.761 39.925 38.000 0.273 0.000 1.388 37 I HN 0.226 nan 8.210 nan 0.000 0.480 38 V N 6.832 126.874 119.914 0.213 0.000 2.680 38 V HA 0.532 4.647 4.120 -0.009 0.000 0.309 38 V C -0.021 176.183 176.094 0.184 0.000 1.052 38 V CA -0.866 61.517 62.300 0.137 0.000 0.908 38 V CB 2.758 34.614 31.823 0.055 0.000 1.001 38 V HN 0.709 nan 8.190 nan 0.000 0.431 39 R N 4.219 124.810 120.500 0.152 0.000 2.451 39 R HA 0.619 4.954 4.340 -0.009 0.000 0.307 39 R C -1.869 174.466 176.300 0.058 0.000 0.965 39 R CA -0.575 55.628 56.100 0.171 0.000 0.865 39 R CB 1.564 32.073 30.300 0.348 0.000 1.174 39 R HN 0.730 nan 8.270 nan 0.000 0.455 40 L N 3.961 125.209 121.223 0.042 0.000 2.296 40 L HA 0.496 4.831 4.340 -0.009 0.000 0.286 40 L C -0.986 175.896 176.870 0.020 0.000 1.023 40 L CA -0.253 54.596 54.840 0.014 0.000 0.812 40 L CB 2.068 44.130 42.059 0.005 0.000 1.223 40 L HN 0.617 nan 8.230 nan 0.000 0.421 41 T N 4.762 119.324 114.554 0.013 0.000 2.758 41 T HA 0.470 4.815 4.350 -0.009 0.000 0.285 41 T C -0.054 174.650 174.700 0.006 0.000 0.981 41 T CA -0.471 61.638 62.100 0.016 0.000 0.965 41 T CB 0.882 69.763 68.868 0.020 0.000 0.927 41 T HN 0.573 nan 8.240 nan 0.000 0.448 42 R N 1.329 121.833 120.500 0.006 0.000 2.500 42 R HA 0.301 4.636 4.340 -0.009 0.000 0.275 42 R C 1.759 178.060 176.300 0.002 0.000 1.051 42 R CA -0.385 55.716 56.100 0.002 0.000 1.088 42 R CB 0.562 30.862 30.300 -0.000 0.000 1.063 42 R HN 0.756 nan 8.270 nan 0.000 0.511 43 S N 0.069 115.769 115.700 0.000 0.000 2.469 43 S HA -0.148 4.317 4.470 -0.009 0.000 0.238 43 S C 0.862 175.463 174.600 0.001 0.000 0.998 43 S CA 1.318 59.518 58.200 0.000 0.000 0.957 43 S CB -0.220 62.979 63.200 -0.001 0.000 0.764 43 S HN 0.763 nan 8.310 nan 0.000 0.514 44 D N 0.066 120.467 120.400 0.001 0.000 2.395 44 D HA 0.316 4.951 4.640 -0.009 0.000 0.226 44 D C 1.278 177.580 176.300 0.003 0.000 1.146 44 D CA 0.222 54.223 54.000 0.001 0.000 0.830 44 D CB -0.568 40.231 40.800 -0.001 0.000 0.958 44 D HN 0.464 nan 8.370 nan 0.000 0.501 45 G N 0.338 109.141 108.800 0.005 0.000 2.184 45 G HA2 -0.297 3.658 3.960 -0.009 0.000 0.264 45 G HA3 -0.297 3.658 3.960 -0.009 0.000 0.264 45 G C 0.183 175.088 174.900 0.009 0.000 0.975 45 G CA 0.286 45.391 45.100 0.008 0.000 0.642 45 G HN 0.478 nan 8.290 nan 0.000 0.536 46 I N 0.850 121.424 120.570 0.006 0.000 2.365 46 I HA 0.412 4.577 4.170 -0.009 0.000 0.291 46 I C 0.682 176.804 176.117 0.010 0.000 1.004 46 I CA -0.803 60.500 61.300 0.005 0.000 1.311 46 I CB 1.269 39.269 38.000 -0.001 0.000 1.401 46 I HN 0.101 nan 8.210 nan 0.000 0.491 47 C N 4.339 123.648 119.300 0.014 0.000 2.454 47 C HA 0.858 5.313 4.460 -0.009 0.000 0.336 47 C C 0.608 175.608 174.990 0.017 0.000 1.189 47 C CA -0.351 58.681 59.018 0.023 0.000 1.877 47 C CB 1.168 28.932 27.740 0.041 0.000 2.348 47 C HN 0.935 nan 8.230 nan 0.000 0.508 48 G N 1.384 110.197 108.800 0.021 0.000 2.571 48 G HA2 0.778 4.733 3.960 -0.009 0.000 0.304 48 G HA3 0.778 4.733 3.960 -0.009 0.000 0.304 48 G C -1.100 173.819 174.900 0.031 0.000 1.314 48 G CA -0.492 44.615 45.100 0.011 0.000 0.975 48 G HN 0.923 nan 8.290 nan 0.000 0.485 49 I N -0.750 119.837 120.570 0.027 0.000 2.797 49 I HA 1.006 5.171 4.170 -0.009 0.000 0.307 49 I C 0.197 176.333 176.117 0.031 0.000 1.033 49 I CA -1.212 60.118 61.300 0.051 0.000 1.071 49 I CB 2.541 40.575 38.000 0.056 0.000 1.255 49 I HN 0.737 nan 8.210 nan 0.000 0.445 50 G N 2.162 110.991 108.800 0.049 0.000 2.695 50 G HA2 0.584 4.539 3.960 -0.009 0.000 0.290 50 G HA3 0.584 4.539 3.960 -0.009 0.000 0.290 50 G C -2.182 172.745 174.900 0.045 0.000 1.410 50 G CA -0.541 44.575 45.100 0.027 0.000 0.844 50 G HN 0.884 nan 8.290 nan 0.000 0.478 51 E N -0.903 119.311 120.200 0.023 0.000 2.331 51 E HA 0.622 4.967 4.350 -0.009 0.000 0.275 51 E C -1.291 175.323 176.600 0.024 0.000 0.895 51 E CA -1.050 55.371 56.400 0.036 0.000 0.753 51 E CB 2.179 31.893 29.700 0.024 0.000 1.216 51 E HN 0.881 nan 8.360 nan 0.000 0.434 52 A N 3.031 125.890 122.820 0.065 0.000 2.411 52 A HA 0.612 4.927 4.320 -0.009 0.000 0.285 52 A C -0.968 176.708 177.584 0.154 0.000 1.129 52 A CA -0.436 51.661 52.037 0.100 0.000 0.736 52 A CB 1.699 20.792 19.000 0.155 0.000 1.186 52 A HN 0.443 nan 8.150 nan 0.000 0.445 53 T N 1.152 115.799 114.554 0.155 0.000 2.900 53 T HA 0.769 5.114 4.350 -0.009 0.000 0.295 53 T C -0.117 174.742 174.700 0.265 0.000 1.044 53 T CA -0.309 61.890 62.100 0.164 0.000 0.995 53 T CB 1.922 70.838 68.868 0.080 0.000 1.072 53 T HN 0.769 nan 8.240 nan 0.000 0.473 54 T N 0.927 115.615 114.554 0.224 0.000 2.693 54 T HA 0.804 5.149 4.350 -0.009 0.000 0.278 54 T C -1.399 173.383 174.700 0.135 0.000 0.994 54 T CA -0.690 61.556 62.100 0.243 0.000 1.033 54 T CB 0.756 69.715 68.868 0.152 0.000 1.342 54 T HN 0.472 nan 8.240 nan 0.000 0.538 55 I N 0.996 121.650 120.570 0.139 0.000 2.474 55 I HA 0.526 4.691 4.170 -0.009 0.000 0.294 55 I C 1.067 177.351 176.117 0.279 0.000 1.005 55 I CA -0.712 60.660 61.300 0.122 0.000 1.113 55 I CB 1.735 39.704 38.000 -0.052 0.000 1.289 55 I HN 0.954 nan 8.210 nan 0.000 0.436 56 G N 4.419 113.357 108.800 0.229 0.000 2.393 56 G HA2 -0.062 3.893 3.960 -0.009 0.000 0.299 56 G HA3 -0.062 3.893 3.960 -0.009 0.000 0.299 56 G C 0.929 175.887 174.900 0.097 0.000 0.990 56 G CA 0.728 45.958 45.100 0.216 0.000 1.118 56 G HN 1.506 nan 8.290 nan 0.000 0.513 57 G N -0.480 108.357 108.800 0.062 0.000 2.793 57 G HA2 -0.343 3.611 3.960 -0.009 0.000 0.334 57 G HA3 -0.343 3.611 3.960 -0.009 0.000 0.334 57 G C 0.965 175.852 174.900 -0.022 0.000 1.186 57 G CA 0.921 46.028 45.100 0.012 0.000 0.960 57 G HN 1.412 nan 8.290 nan 0.000 0.562 58 L N 1.216 122.406 121.223 -0.054 0.000 3.069 58 L HA 0.308 4.643 4.340 -0.009 0.000 0.271 58 L C 2.173 178.962 176.870 -0.135 0.000 1.201 58 L CA 0.627 55.416 54.840 -0.085 0.000 1.015 58 L CB 0.960 42.973 42.059 -0.077 0.000 1.371 58 L HN 0.384 nan 8.230 nan 0.000 0.574 59 S N -0.590 114.990 115.700 -0.200 0.000 2.436 59 S HA -0.016 4.449 4.470 -0.009 0.000 0.228 59 S C 1.270 175.465 174.600 -0.674 0.000 1.014 59 S CA 1.041 58.971 58.200 -0.451 0.000 0.950 59 S CB 0.020 62.855 63.200 -0.609 0.000 0.784 59 S HN 0.430 nan 8.310 nan 0.000 0.504 60 Y N 0.434 120.711 120.300 -0.038 0.000 2.483 60 Y HA 0.471 5.017 4.550 -0.006 0.000 0.258 60 Y C 1.227 177.100 175.900 -0.045 0.000 1.083 60 Y CA -0.257 57.822 58.100 -0.034 0.000 1.283 60 Y CB 0.423 38.875 38.460 -0.013 0.000 1.178 60 Y HN 0.224 nan 8.280 nan 0.000 0.515 61 G N -0.718 108.094 108.800 0.019 0.000 2.695 61 G HA2 0.418 4.373 3.960 -0.009 0.000 0.290 61 G HA3 0.418 4.373 3.960 -0.009 0.000 0.290 61 G C 0.096 174.916 174.900 -0.134 0.000 1.410 61 G CA -0.121 44.941 45.100 -0.064 0.000 0.844 61 G HN -0.014 nan 8.290 nan 0.000 0.478 62 V N -2.630 117.192 119.914 -0.154 0.000 3.306 62 V HA 0.288 4.403 4.120 -0.009 0.000 0.264 62 V C 0.467 176.450 176.094 -0.186 0.000 1.149 62 V CA 0.867 63.085 62.300 -0.138 0.000 1.143 62 V CB -0.697 31.070 31.823 -0.094 0.000 0.767 62 V HN 0.520 nan 8.190 nan 0.000 0.476 63 E N 2.213 122.216 120.200 -0.328 0.000 2.113 63 E HA 0.490 4.835 4.350 -0.009 0.000 0.273 63 E C -0.035 176.385 176.600 -0.299 0.000 0.924 63 E CA -0.035 56.154 56.400 -0.352 0.000 0.764 63 E CB 1.529 30.892 29.700 -0.563 0.000 1.104 63 E HN 0.680 nan 8.360 nan 0.000 0.406 64 S N 2.282 117.892 115.700 -0.151 0.000 2.672 64 S HA 0.328 4.793 4.470 -0.009 0.000 0.276 64 S C -1.970 172.608 174.600 -0.037 0.000 1.207 64 S CA -1.364 56.787 58.200 -0.081 0.000 1.002 64 S CB 1.603 64.775 63.200 -0.047 0.000 0.998 64 S HN 0.132 nan 8.310 nan 0.000 0.542 65 P HA -0.137 nan 4.420 nan 0.000 0.215 65 P C 1.452 178.777 177.300 0.042 0.000 1.153 65 P CA 1.235 64.360 63.100 0.040 0.000 0.853 65 P CB -0.010 31.722 31.700 0.052 0.000 0.788 66 E N -0.114 120.104 120.200 0.030 0.000 2.152 66 E HA -0.097 4.248 4.350 -0.009 0.000 0.192 66 E C 1.932 178.553 176.600 0.036 0.000 0.983 66 E CA 1.455 57.876 56.400 0.036 0.000 0.818 66 E CB -1.321 28.395 29.700 0.028 0.000 0.758 66 E HN 0.169 nan 8.360 nan 0.000 0.467 67 A N 1.525 124.354 122.820 0.016 0.000 1.968 67 A HA 0.017 4.332 4.320 -0.009 0.000 0.217 67 A C 2.359 179.967 177.584 0.039 0.000 1.169 67 A CA 0.731 52.777 52.037 0.016 0.000 0.638 67 A CB -0.564 18.423 19.000 -0.021 0.000 0.812 67 A HN 0.177 nan 8.150 nan 0.000 0.446 68 I N -0.800 119.791 120.570 0.035 0.000 2.202 68 I HA -0.203 3.961 4.170 -0.009 0.000 0.242 68 I C 2.844 179.010 176.117 0.081 0.000 1.091 68 I CA 1.455 62.795 61.300 0.067 0.000 1.368 68 I CB -0.211 37.842 38.000 0.089 0.000 1.058 68 I HN 0.409 nan 8.210 nan 0.000 0.410 69 S N -0.103 115.640 115.700 0.072 0.000 2.370 69 S HA -0.248 4.217 4.470 -0.009 0.000 0.226 69 S C 2.294 176.944 174.600 0.084 0.000 1.033 69 S CA 2.128 60.365 58.200 0.062 0.000 1.011 69 S CB -0.360 62.874 63.200 0.057 0.000 0.852 69 S HN 0.470 nan 8.310 nan 0.000 0.457 70 S N 0.684 116.456 115.700 0.121 0.000 2.368 70 S HA -0.019 4.446 4.470 -0.009 0.000 0.225 70 S C 2.089 176.852 174.600 0.271 0.000 1.030 70 S CA 1.476 59.806 58.200 0.217 0.000 0.999 70 S CB -0.830 62.457 63.200 0.144 0.000 0.844 70 S HN 0.707 nan 8.310 nan 0.000 0.459 71 A N 1.445 124.392 122.820 0.212 0.000 1.902 71 A HA 0.002 4.316 4.320 -0.009 0.000 0.217 71 A C 2.148 179.860 177.584 0.213 0.000 1.181 71 A CA 1.592 53.786 52.037 0.261 0.000 0.623 71 A CB -0.797 18.290 19.000 0.146 0.000 0.818 71 A HN 0.638 nan 8.150 nan 0.000 0.443 72 I N -0.683 119.957 120.570 0.117 0.000 2.179 72 I HA -0.216 3.949 4.170 -0.009 0.000 0.242 72 I C 2.628 178.741 176.117 -0.007 0.000 1.088 72 I CA 1.798 63.129 61.300 0.050 0.000 1.357 72 I CB -0.719 37.289 38.000 0.014 0.000 1.051 72 I HN 0.261 nan 8.210 nan 0.000 0.409 73 T N -0.821 113.709 114.554 -0.040 0.000 2.701 73 T HA -0.188 4.156 4.350 -0.009 0.000 0.263 73 T C 1.759 176.275 174.700 -0.307 0.000 1.040 73 T CA 1.647 63.633 62.100 -0.190 0.000 1.147 73 T CB -0.360 68.353 68.868 -0.257 0.000 0.865 73 T HN 0.399 nan 8.240 nan 0.000 0.426 74 H N -1.150 117.808 119.070 -0.186 0.000 2.525 74 H HA 0.214 4.768 4.556 -0.003 0.000 0.275 74 H C 1.163 176.066 175.328 -0.709 0.000 0.984 74 H CA 0.782 56.555 56.048 -0.459 0.000 1.264 74 H CB 0.175 29.562 29.762 -0.624 0.000 1.432 74 H HN 0.396 nan 8.280 nan 0.000 0.549 75 Y N -1.336 119.015 120.300 0.086 0.000 2.769 75 Y HA 0.172 4.714 4.550 -0.013 0.000 0.266 75 Y C 1.910 177.822 175.900 0.020 0.000 1.091 75 Y CA -0.101 58.028 58.100 0.049 0.000 1.272 75 Y CB -0.115 38.374 38.460 0.048 0.000 1.469 75 Y HN -0.070 nan 8.280 nan 0.000 0.475 76 L N -0.379 120.942 121.223 0.162 0.000 2.093 76 L HA -0.160 4.175 4.340 -0.009 0.000 0.208 76 L C 2.100 178.987 176.870 0.029 0.000 1.085 76 L CA 1.665 56.556 54.840 0.085 0.000 0.755 76 L CB -0.632 41.470 42.059 0.072 0.000 0.904 76 L HN 0.267 nan 8.230 nan 0.000 0.435 77 T N 0.340 114.889 114.554 -0.008 0.000 2.643 77 T HA -0.079 4.266 4.350 -0.009 0.000 0.264 77 T C -0.526 174.152 174.700 -0.036 0.000 1.045 77 T CA 1.549 63.624 62.100 -0.042 0.000 1.155 77 T CB -1.131 67.684 68.868 -0.088 0.000 0.863 77 T HN 0.277 nan 8.240 nan 0.000 0.420 78 P HA -0.005 nan 4.420 nan 0.000 0.220 78 P C 1.666 178.963 177.300 -0.005 0.000 1.148 78 P CA 0.772 63.850 63.100 -0.035 0.000 0.803 78 P CB -0.116 31.551 31.700 -0.055 0.000 0.782 79 L N -0.780 120.453 121.223 0.017 0.000 2.109 79 L HA -0.026 4.309 4.340 -0.009 0.000 0.207 79 L C 2.340 179.221 176.870 0.018 0.000 1.086 79 L CA 1.661 56.520 54.840 0.031 0.000 0.760 79 L CB -1.055 41.038 42.059 0.058 0.000 0.910 79 L HN -0.179 nan 8.230 nan 0.000 0.437 80 L N -1.070 120.160 121.223 0.011 0.000 2.354 80 L HA 0.061 4.395 4.340 -0.009 0.000 0.212 80 L C 0.870 177.738 176.870 -0.003 0.000 1.091 80 L CA -0.072 54.771 54.840 0.005 0.000 0.828 80 L CB -0.301 41.761 42.059 0.005 0.000 0.973 80 L HN 0.030 nan 8.230 nan 0.000 0.461 81 K N 1.023 121.417 120.400 -0.010 0.000 2.472 81 K HA 0.145 4.460 4.320 -0.009 0.000 0.280 81 K C 1.025 177.620 176.600 -0.009 0.000 1.028 81 K CA 0.823 57.102 56.287 -0.014 0.000 1.045 81 K CB 0.267 32.753 32.500 -0.022 0.000 0.902 81 K HN 0.302 nan 8.250 nan 0.000 0.478 82 G N 1.800 110.595 108.800 -0.007 0.000 2.234 82 G HA2 -0.215 3.739 3.960 -0.009 0.000 0.235 82 G HA3 -0.215 3.739 3.960 -0.009 0.000 0.235 82 G C -0.074 174.825 174.900 -0.002 0.000 0.997 82 G CA -0.427 44.670 45.100 -0.005 0.000 0.623 82 G HN 0.506 nan 8.290 nan 0.000 0.514 83 Q N 1.000 120.799 119.800 -0.001 0.000 2.299 83 Q HA 0.403 4.738 4.340 -0.009 0.000 0.246 83 Q C -2.491 173.509 176.000 -0.001 0.000 0.935 83 Q CA -1.824 53.980 55.803 0.001 0.000 0.887 83 Q CB 0.687 29.427 28.738 0.003 0.000 1.223 83 Q HN 0.194 nan 8.270 nan 0.000 0.439 84 P HA -0.019 nan 4.420 nan 0.000 0.262 84 P C -0.286 177.013 177.300 -0.002 0.000 1.199 84 P CA 0.396 63.496 63.100 -0.001 0.000 0.763 84 P CB 0.521 32.221 31.700 -0.001 0.000 0.790 85 A N 3.633 126.451 122.820 -0.003 0.000 2.167 85 A HA -0.081 4.234 4.320 -0.009 0.000 0.214 85 A C 1.455 179.034 177.584 -0.007 0.000 1.151 85 A CA 1.153 53.187 52.037 -0.005 0.000 0.735 85 A CB -0.413 18.583 19.000 -0.005 0.000 0.802 85 A HN 0.420 nan 8.150 nan 0.000 0.467 86 D N -0.465 119.931 120.400 -0.007 0.000 2.354 86 D HA -0.026 4.609 4.640 -0.009 0.000 0.209 86 D C 0.095 176.391 176.300 -0.007 0.000 1.015 86 D CA 0.151 54.146 54.000 -0.009 0.000 0.867 86 D CB -0.028 40.767 40.800 -0.008 0.000 0.933 86 D HN 0.240 nan 8.370 nan 0.000 0.520 87 N N 1.957 120.654 118.700 -0.005 0.000 2.868 87 N HA 0.003 4.737 4.740 -0.009 0.000 0.252 87 N C 1.059 176.567 175.510 -0.002 0.000 1.130 87 N CA -0.174 52.875 53.050 -0.003 0.000 1.026 87 N CB 0.699 39.185 38.487 -0.001 0.000 1.335 87 N HN 0.009 nan 8.380 nan 0.000 0.516 88 L N 3.624 124.844 121.223 -0.005 0.000 2.083 88 L HA -0.090 4.244 4.340 -0.009 0.000 0.209 88 L C 1.594 178.464 176.870 0.000 0.000 1.083 88 L CA 1.640 56.477 54.840 -0.005 0.000 0.752 88 L CB -0.430 41.623 42.059 -0.009 0.000 0.899 88 L HN 0.421 nan 8.230 nan 0.000 0.433 89 N N 0.006 118.707 118.700 0.001 0.000 2.120 89 N HA -0.138 4.597 4.740 -0.009 0.000 0.188 89 N C 1.817 177.331 175.510 0.007 0.000 1.024 89 N CA 1.610 54.662 53.050 0.004 0.000 0.852 89 N CB -0.428 38.061 38.487 0.003 0.000 1.003 89 N HN 0.508 nan 8.380 nan 0.000 0.424 90 A N 1.279 124.103 122.820 0.006 0.000 1.898 90 A HA -0.021 4.294 4.320 -0.009 0.000 0.216 90 A C 2.425 180.015 177.584 0.010 0.000 1.181 90 A CA 0.834 52.876 52.037 0.008 0.000 0.620 90 A CB -0.704 18.300 19.000 0.006 0.000 0.819 90 A HN 0.191 nan 8.150 nan 0.000 0.442 91 L N -0.717 120.511 121.223 0.008 0.000 2.046 91 L HA -0.159 4.176 4.340 -0.009 0.000 0.208 91 L C 2.782 179.661 176.870 0.015 0.000 1.077 91 L CA 1.757 56.602 54.840 0.010 0.000 0.747 91 L CB -0.902 41.161 42.059 0.006 0.000 0.896 91 L HN 0.339 nan 8.230 nan 0.000 0.432 92 T N -0.130 114.432 114.554 0.014 0.000 2.746 92 T HA -0.153 4.192 4.350 -0.009 0.000 0.267 92 T C 2.030 176.745 174.700 0.027 0.000 1.039 92 T CA 1.284 63.396 62.100 0.020 0.000 1.142 92 T CB -0.244 68.633 68.868 0.016 0.000 0.866 92 T HN 0.438 nan 8.240 nan 0.000 0.444 93 A N 1.642 124.477 122.820 0.024 0.000 1.902 93 A HA -0.114 4.201 4.320 -0.009 0.000 0.217 93 A C 2.301 179.901 177.584 0.027 0.000 1.181 93 A CA 1.797 53.851 52.037 0.028 0.000 0.623 93 A CB -0.581 18.432 19.000 0.022 0.000 0.818 93 A HN 0.421 nan 8.150 nan 0.000 0.443 94 R N -0.891 119.623 120.500 0.023 0.000 2.075 94 R HA -0.090 4.244 4.340 -0.009 0.000 0.232 94 R C 2.185 178.501 176.300 0.027 0.000 1.126 94 R CA 1.819 57.933 56.100 0.023 0.000 0.963 94 R CB -0.323 29.989 30.300 0.020 0.000 0.858 94 R HN 0.559 nan 8.270 nan 0.000 0.435 95 M N 0.573 120.191 119.600 0.029 0.000 2.086 95 M HA -0.169 4.306 4.480 -0.009 0.000 0.261 95 M C 1.703 178.024 176.300 0.034 0.000 1.067 95 M CA 1.609 56.930 55.300 0.034 0.000 1.116 95 M CB -0.312 32.308 32.600 0.034 0.000 1.348 95 M HN 0.145 nan 8.290 nan 0.000 0.407 96 N N 0.193 118.916 118.700 0.037 0.000 2.396 96 N HA -0.037 4.698 4.740 -0.009 0.000 0.180 96 N C 1.744 177.271 175.510 0.029 0.000 1.028 96 N CA 1.364 54.439 53.050 0.041 0.000 0.893 96 N CB -0.493 38.032 38.487 0.063 0.000 0.967 96 N HN 0.448 nan 8.380 nan 0.000 0.440 97 G N 0.063 108.878 108.800 0.026 0.000 2.430 97 G HA2 0.001 3.956 3.960 -0.009 0.000 0.216 97 G HA3 0.001 3.956 3.960 -0.009 0.000 0.216 97 G C 1.367 176.274 174.900 0.011 0.000 1.146 97 G CA 0.820 45.931 45.100 0.018 0.000 0.793 97 G HN 0.410 nan 8.290 nan 0.000 0.537 98 A N -0.551 122.279 122.820 0.016 0.000 2.197 98 A HA 0.520 4.835 4.320 -0.009 0.000 0.210 98 A C 0.382 177.965 177.584 -0.000 0.000 1.180 98 A CA 0.189 52.235 52.037 0.015 0.000 0.846 98 A CB 0.411 19.431 19.000 0.034 0.000 0.884 98 A HN 0.179 nan 8.150 nan 0.000 0.487 99 I N 1.269 121.838 120.570 -0.001 0.000 2.439 99 I HA 0.334 4.499 4.170 -0.009 0.000 0.285 99 I C -0.972 175.132 176.117 -0.022 0.000 1.021 99 I CA -0.850 60.436 61.300 -0.024 0.000 1.091 99 I CB 1.443 39.445 38.000 0.003 0.000 1.242 99 I HN -0.033 nan 8.210 nan 0.000 0.439 100 K N 3.882 124.253 120.400 -0.048 0.000 2.205 100 K HA 0.542 4.857 4.320 -0.009 0.000 0.279 100 K C 0.892 177.477 176.600 -0.024 0.000 1.027 100 K CA 0.187 56.453 56.287 -0.036 0.000 0.932 100 K CB 1.219 33.688 32.500 -0.052 0.000 1.032 100 K HN 0.884 nan 8.250 nan 0.000 0.466 101 G N 3.336 112.138 108.800 0.002 0.000 2.596 101 G HA2 -0.403 3.552 3.960 -0.009 0.000 0.295 101 G HA3 -0.403 3.552 3.960 -0.009 0.000 0.295 101 G C -0.098 174.827 174.900 0.041 0.000 1.240 101 G CA 0.338 45.452 45.100 0.024 0.000 0.985 101 G HN 0.841 nan 8.290 nan 0.000 0.555 102 N N -0.025 118.702 118.700 0.045 0.000 2.727 102 N HA -0.253 4.481 4.740 -0.009 0.000 0.249 102 N C 1.563 177.154 175.510 0.134 0.000 1.048 102 N CA 1.933 55.025 53.050 0.070 0.000 0.714 102 N CB -1.345 37.164 38.487 0.037 0.000 0.959 102 N HN 1.514 nan 8.380 nan 0.000 0.544 103 T N -3.544 111.122 114.554 0.187 0.000 2.833 103 T HA -0.110 4.235 4.350 -0.009 0.000 0.269 103 T C 1.564 176.395 174.700 0.219 0.000 1.054 103 T CA 0.939 63.151 62.100 0.186 0.000 1.135 103 T CB -0.409 68.564 68.868 0.176 0.000 0.869 103 T HN 0.374 nan 8.240 nan 0.000 0.466 104 F N 1.971 121.933 119.950 0.020 0.000 2.146 104 F HA 0.110 4.635 4.527 -0.004 0.000 0.298 104 F C 3.082 178.894 175.800 0.021 0.000 1.096 104 F CA 0.660 58.673 58.000 0.020 0.000 1.275 104 F CB -0.515 38.498 39.000 0.022 0.000 1.008 104 F HN 0.248 nan 8.300 nan 0.000 0.480 105 A N 0.400 123.355 122.820 0.225 0.000 1.877 105 A HA -0.217 4.098 4.320 -0.009 0.000 0.216 105 A C 2.105 179.741 177.584 0.088 0.000 1.186 105 A CA 1.751 53.868 52.037 0.132 0.000 0.620 105 A CB -0.646 18.421 19.000 0.112 0.000 0.822 105 A HN 0.305 nan 8.150 nan 0.000 0.443 106 K N -0.357 120.092 120.400 0.083 0.000 2.063 106 K HA -0.136 4.179 4.320 -0.009 0.000 0.208 106 K C 2.431 179.046 176.600 0.024 0.000 1.048 106 K CA 1.414 57.731 56.287 0.051 0.000 0.928 106 K CB -0.267 32.265 32.500 0.053 0.000 0.713 106 K HN 0.446 nan 8.250 nan 0.000 0.442 107 S N 0.601 116.307 115.700 0.010 0.000 2.370 107 S HA -0.187 4.277 4.470 -0.009 0.000 0.226 107 S C 2.066 176.648 174.600 -0.029 0.000 1.033 107 S CA 1.333 59.511 58.200 -0.037 0.000 1.011 107 S CB -0.222 62.916 63.200 -0.103 0.000 0.852 107 S HN 0.394 nan 8.310 nan 0.000 0.457 108 A N 1.798 124.618 122.820 0.001 0.000 1.902 108 A HA -0.001 4.314 4.320 -0.009 0.000 0.217 108 A C 2.105 179.694 177.584 0.008 0.000 1.181 108 A CA 1.488 53.531 52.037 0.011 0.000 0.623 108 A CB -0.671 18.354 19.000 0.042 0.000 0.818 108 A HN 0.561 nan 8.150 nan 0.000 0.443 109 I N -0.102 120.476 120.570 0.013 0.000 2.179 109 I HA -0.212 3.953 4.170 -0.009 0.000 0.242 109 I C 2.435 178.550 176.117 -0.003 0.000 1.088 109 I CA 1.849 63.154 61.300 0.008 0.000 1.357 109 I CB -1.483 36.526 38.000 0.015 0.000 1.051 109 I HN 0.550 nan 8.210 nan 0.000 0.409 110 E N 0.442 120.637 120.200 -0.008 0.000 2.118 110 E HA -0.204 4.141 4.350 -0.009 0.000 0.195 110 E C 2.049 178.629 176.600 -0.034 0.000 0.992 110 E CA 1.866 58.255 56.400 -0.019 0.000 0.804 110 E CB 0.158 29.845 29.700 -0.022 0.000 0.741 110 E HN 0.415 nan 8.360 nan 0.000 0.458 111 T N 0.393 114.924 114.554 -0.039 0.000 2.708 111 T HA -0.137 4.208 4.350 -0.009 0.000 0.266 111 T C 1.850 176.526 174.700 -0.040 0.000 1.037 111 T CA 1.306 63.375 62.100 -0.051 0.000 1.146 111 T CB -0.292 68.546 68.868 -0.051 0.000 0.865 111 T HN 0.324 nan 8.240 nan 0.000 0.435 112 A N 1.161 123.970 122.820 -0.019 0.000 1.902 112 A HA 0.003 4.317 4.320 -0.009 0.000 0.217 112 A C 2.312 179.886 177.584 -0.018 0.000 1.181 112 A CA 1.210 53.241 52.037 -0.009 0.000 0.623 112 A CB -0.874 18.131 19.000 0.008 0.000 0.818 112 A HN 0.472 nan 8.150 nan 0.000 0.443 113 L N -0.814 120.397 121.223 -0.020 0.000 2.046 113 L HA -0.193 4.142 4.340 -0.009 0.000 0.208 113 L C 2.593 179.442 176.870 -0.034 0.000 1.077 113 L CA 1.163 55.990 54.840 -0.021 0.000 0.747 113 L CB -0.511 41.538 42.059 -0.017 0.000 0.896 113 L HN 0.380 nan 8.230 nan 0.000 0.432 114 L N -0.562 120.632 121.223 -0.048 0.000 2.056 114 L HA -0.230 4.105 4.340 -0.009 0.000 0.207 114 L C 2.300 179.120 176.870 -0.084 0.000 1.078 114 L CA 1.260 56.059 54.840 -0.069 0.000 0.749 114 L CB -0.525 41.482 42.059 -0.086 0.000 0.901 114 L HN 0.288 nan 8.230 nan 0.000 0.433 115 D N 0.170 120.522 120.400 -0.080 0.000 2.092 115 D HA -0.210 4.424 4.640 -0.009 0.000 0.193 115 D C 2.144 178.410 176.300 -0.056 0.000 0.994 115 D CA 1.631 55.583 54.000 -0.081 0.000 0.828 115 D CB 0.092 40.859 40.800 -0.055 0.000 0.963 115 D HN 0.241 nan 8.370 nan 0.000 0.450 116 A N -0.170 122.628 122.820 -0.037 0.000 1.902 116 A HA -0.221 4.093 4.320 -0.009 0.000 0.217 116 A C 2.213 179.779 177.584 -0.029 0.000 1.181 116 A CA 2.134 54.156 52.037 -0.024 0.000 0.623 116 A CB -0.960 18.031 19.000 -0.014 0.000 0.818 116 A HN 0.358 nan 8.150 nan 0.000 0.443 117 Q N -0.175 119.604 119.800 -0.035 0.000 2.050 117 Q HA -0.049 4.286 4.340 -0.009 0.000 0.202 117 Q C 1.968 177.944 176.000 -0.041 0.000 0.980 117 Q CA 2.296 58.078 55.803 -0.034 0.000 0.840 117 Q CB -0.985 27.732 28.738 -0.037 0.000 0.898 117 Q HN 0.491 nan 8.270 nan 0.000 0.424 118 G N 0.303 109.068 108.800 -0.059 0.000 2.440 118 G HA2 -0.278 3.677 3.960 -0.009 0.000 0.218 118 G HA3 -0.278 3.677 3.960 -0.009 0.000 0.218 118 G C 1.300 176.171 174.900 -0.048 0.000 1.154 118 G CA 0.957 46.017 45.100 -0.067 0.000 0.767 118 G HN 0.364 nan 8.290 nan 0.000 0.552 119 K N 0.499 120.874 120.400 -0.042 0.000 2.057 119 K HA 0.071 4.386 4.320 -0.009 0.000 0.207 119 K C 2.922 179.509 176.600 -0.021 0.000 1.049 119 K CA 0.942 57.212 56.287 -0.029 0.000 0.931 119 K CB -0.203 32.284 32.500 -0.023 0.000 0.714 119 K HN 0.265 nan 8.250 nan 0.000 0.440 120 A N 0.933 123.741 122.820 -0.021 0.000 1.972 120 A HA -0.089 4.226 4.320 -0.009 0.000 0.219 120 A C 1.862 179.437 177.584 -0.015 0.000 1.169 120 A CA 1.239 53.267 52.037 -0.015 0.000 0.635 120 A CB -0.302 18.690 19.000 -0.014 0.000 0.810 120 A HN 0.187 nan 8.150 nan 0.000 0.446 121 L N -1.571 119.641 121.223 -0.019 0.000 2.640 121 L HA 0.262 4.597 4.340 -0.009 0.000 0.230 121 L C 1.430 178.290 176.870 -0.017 0.000 1.123 121 L CA 0.387 55.216 54.840 -0.017 0.000 0.900 121 L CB 0.061 42.108 42.059 -0.020 0.000 1.146 121 L HN 0.519 nan 8.230 nan 0.000 0.484 122 G N 1.423 110.211 108.800 -0.019 0.000 2.246 122 G HA2 -0.270 3.685 3.960 -0.009 0.000 0.273 122 G HA3 -0.270 3.685 3.960 -0.009 0.000 0.273 122 G C -0.212 174.677 174.900 -0.019 0.000 1.055 122 G CA 0.158 45.248 45.100 -0.017 0.000 0.851 122 G HN 0.249 nan 8.290 nan 0.000 0.500 123 L N 0.387 121.593 121.223 -0.028 0.000 2.401 123 L HA 0.559 4.894 4.340 -0.009 0.000 0.266 123 L C -2.013 174.825 176.870 -0.053 0.000 0.991 123 L CA -2.576 52.246 54.840 -0.030 0.000 0.818 123 L CB 2.914 44.956 42.059 -0.027 0.000 1.321 123 L HN -0.076 nan 8.230 nan 0.000 0.413 124 P HA 0.062 nan 4.420 nan 0.000 0.274 124 P C 0.862 178.055 177.300 -0.177 0.000 1.231 124 P CA -0.319 62.727 63.100 -0.090 0.000 0.790 124 P CB 1.553 33.278 31.700 0.042 0.000 0.951 125 V N 1.936 121.577 119.914 -0.454 0.000 2.380 125 V HA -0.281 3.834 4.120 -0.009 0.000 0.251 125 V C 2.761 178.770 176.094 -0.142 0.000 1.063 125 V CA 2.948 65.020 62.300 -0.380 0.000 1.055 125 V CB -1.671 29.799 31.823 -0.587 0.000 0.657 125 V HN 0.751 nan 8.190 nan 0.000 0.455 126 S N 1.055 116.785 115.700 0.049 0.000 2.383 126 S HA -0.203 4.262 4.470 -0.009 0.000 0.229 126 S C 2.082 176.712 174.600 0.051 0.000 1.030 126 S CA 1.438 59.721 58.200 0.139 0.000 1.002 126 S CB -0.593 62.741 63.200 0.224 0.000 0.829 126 S HN 0.618 nan 8.310 nan 0.000 0.467 127 A N 1.402 124.237 122.820 0.026 0.000 1.930 127 A HA 0.184 4.498 4.320 -0.009 0.000 0.217 127 A C 2.153 179.734 177.584 -0.005 0.000 1.175 127 A CA 1.186 53.228 52.037 0.010 0.000 0.627 127 A CB -0.703 18.298 19.000 0.002 0.000 0.815 127 A HN 0.456 nan 8.150 nan 0.000 0.443 128 L N -0.475 120.733 121.223 -0.024 0.000 2.141 128 L HA -0.012 4.322 4.340 -0.009 0.000 0.209 128 L C 1.813 178.674 176.870 -0.015 0.000 1.094 128 L CA 1.276 56.099 54.840 -0.028 0.000 0.763 128 L CB -0.545 41.484 42.059 -0.050 0.000 0.908 128 L HN 0.360 nan 8.230 nan 0.000 0.437 129 L N -1.162 120.057 121.223 -0.007 0.000 2.645 129 L HA 0.249 4.584 4.340 -0.009 0.000 0.234 129 L C 1.369 178.251 176.870 0.019 0.000 1.165 129 L CA 0.547 55.391 54.840 0.007 0.000 0.944 129 L CB -0.639 41.429 42.059 0.015 0.000 1.149 129 L HN 0.470 nan 8.230 nan 0.000 0.446 130 G N -0.581 108.227 108.800 0.014 0.000 2.195 130 G HA2 -0.091 3.864 3.960 -0.009 0.000 0.224 130 G HA3 -0.091 3.864 3.960 -0.009 0.000 0.224 130 G C 0.516 175.428 174.900 0.020 0.000 0.990 130 G CA -0.267 44.843 45.100 0.016 0.000 0.639 130 G HN 0.858 nan 8.290 nan 0.000 0.514 131 G N -1.020 107.795 108.800 0.025 0.000 2.885 131 G HA2 0.544 4.499 3.960 -0.009 0.000 0.685 131 G HA3 0.544 4.499 3.960 -0.009 0.000 0.685 131 G C -0.092 174.829 174.900 0.035 0.000 1.216 131 G CA 0.797 45.913 45.100 0.027 0.000 0.790 131 G HN 2.118 nan 8.290 nan 0.000 0.631 132 A N 1.230 124.071 122.820 0.036 0.000 2.363 132 A HA 0.711 5.026 4.320 -0.009 0.000 0.270 132 A C 1.303 178.902 177.584 0.025 0.000 1.121 132 A CA -0.109 51.949 52.037 0.035 0.000 0.800 132 A CB 0.662 19.679 19.000 0.029 0.000 1.052 132 A HN 1.267 nan 8.150 nan 0.000 0.493 133 L N 0.607 121.846 121.223 0.028 0.000 2.209 133 L HA 0.064 4.398 4.340 -0.009 0.000 0.207 133 L C 1.311 178.188 176.870 0.012 0.000 1.094 133 L CA 1.599 56.451 54.840 0.020 0.000 0.790 133 L CB -0.692 41.381 42.059 0.023 0.000 0.932 133 L HN 0.886 nan 8.230 nan 0.000 0.447 134 Q N -3.576 116.231 119.800 0.012 0.000 2.418 134 Q HA 0.394 4.729 4.340 -0.009 0.000 0.282 134 Q C -0.534 175.462 176.000 -0.007 0.000 1.044 134 Q CA -0.439 55.365 55.803 0.002 0.000 0.813 134 Q CB 1.144 29.884 28.738 0.003 0.000 1.428 134 Q HN -0.188 nan 8.270 nan 0.000 0.402 135 T N -0.067 114.476 114.554 -0.018 0.000 3.054 135 T HA 0.431 4.776 4.350 -0.009 0.000 0.255 135 T C -0.197 174.472 174.700 -0.050 0.000 1.035 135 T CA 0.536 62.614 62.100 -0.037 0.000 0.941 135 T CB 0.458 69.307 68.868 -0.031 0.000 1.026 135 T HN 0.637 nan 8.240 nan 0.000 0.533 136 A N 2.010 124.810 122.820 -0.034 0.000 2.335 136 A HA 0.713 5.027 4.320 -0.009 0.000 0.304 136 A C -1.013 176.563 177.584 -0.013 0.000 1.118 136 A CA -0.618 51.399 52.037 -0.034 0.000 0.757 136 A CB 0.912 19.898 19.000 -0.024 0.000 1.188 136 A HN 0.198 nan 8.150 nan 0.000 0.460 137 L N 3.760 124.978 121.223 -0.008 0.000 2.334 137 L HA 0.564 4.899 4.340 -0.009 0.000 0.276 137 L C -2.269 174.633 176.870 0.053 0.000 1.014 137 L CA -1.878 52.979 54.840 0.029 0.000 0.815 137 L CB 1.558 43.650 42.059 0.055 0.000 1.268 137 L HN 0.483 nan 8.230 nan 0.000 0.428 138 P HA 0.209 nan 4.420 nan 0.000 0.275 138 P C -0.901 176.472 177.300 0.122 0.000 1.227 138 P CA -0.236 62.908 63.100 0.075 0.000 0.781 138 P CB 1.652 33.382 31.700 0.049 0.000 0.906 139 V N 4.060 124.074 119.914 0.166 0.000 2.524 139 V HA 0.172 4.287 4.120 -0.009 0.000 0.297 139 V C 0.534 176.767 176.094 0.232 0.000 1.035 139 V CA -0.782 61.667 62.300 0.248 0.000 0.867 139 V CB 1.357 33.412 31.823 0.386 0.000 1.004 139 V HN 0.440 nan 8.190 nan 0.000 0.426 140 L N 1.723 123.095 121.223 0.249 0.000 2.490 140 L HA 0.672 5.007 4.340 -0.009 0.000 0.245 140 L C -0.303 176.727 176.870 0.267 0.000 1.185 140 L CA -0.409 54.540 54.840 0.182 0.000 0.813 140 L CB 0.503 42.667 42.059 0.175 0.000 1.233 140 L HN 0.746 nan 8.230 nan 0.000 0.489 141 W N -0.132 121.114 121.300 -0.090 0.000 2.819 141 W HA 0.524 5.179 4.660 -0.008 0.000 0.337 141 W C -1.382 175.051 176.519 -0.144 0.000 1.077 141 W CA -0.675 56.529 57.345 -0.236 0.000 1.226 141 W CB 2.254 31.682 29.460 -0.054 0.000 1.419 141 W HN 0.545 nan 8.180 nan 0.000 0.502 142 T N 6.126 119.873 114.554 -1.346 0.000 2.767 142 T HA 0.418 4.763 4.350 -0.009 0.000 0.288 142 T C -0.070 174.189 174.700 -0.734 0.000 0.963 142 T CA -0.352 61.285 62.100 -0.770 0.000 1.019 142 T CB 0.731 69.253 68.868 -0.576 0.000 0.923 142 T HN 0.209 nan 8.240 nan 0.000 0.468 143 L N 3.113 124.183 121.223 -0.255 0.000 2.262 143 L HA 0.656 4.991 4.340 -0.009 0.000 0.288 143 L C 0.504 177.334 176.870 -0.068 0.000 1.035 143 L CA -0.654 54.117 54.840 -0.115 0.000 0.820 143 L CB 0.932 42.964 42.059 -0.044 0.000 1.204 143 L HN 0.780 nan 8.230 nan 0.000 0.424 144 A N 1.141 123.916 122.820 -0.076 0.000 2.958 144 A HA 0.191 4.506 4.320 -0.009 0.000 0.214 144 A C 0.937 178.499 177.584 -0.035 0.000 0.902 144 A CA 0.005 52.012 52.037 -0.050 0.000 1.136 144 A CB 0.142 19.090 19.000 -0.086 0.000 1.250 144 A HN 0.655 nan 8.150 nan 0.000 0.497 145 S N -1.209 114.489 115.700 -0.004 0.000 2.522 145 S HA 0.340 4.805 4.470 -0.009 0.000 0.227 145 S C 1.649 176.240 174.600 -0.017 0.000 0.986 145 S CA 1.197 59.398 58.200 0.002 0.000 0.929 145 S CB -0.071 63.144 63.200 0.026 0.000 0.769 145 S HN 2.162 nan 8.310 nan 0.000 0.529 146 G N 0.723 109.495 108.800 -0.048 0.000 2.225 146 G HA2 -0.276 3.679 3.960 -0.009 0.000 0.254 146 G HA3 -0.276 3.679 3.960 -0.009 0.000 0.254 146 G C -0.225 174.621 174.900 -0.091 0.000 0.988 146 G CA 0.245 45.284 45.100 -0.103 0.000 0.625 146 G HN 0.731 nan 8.290 nan 0.000 0.527 147 D N -0.424 119.970 120.400 -0.011 0.000 2.425 147 D HA 0.650 5.285 4.640 -0.009 0.000 0.240 147 D C 1.622 177.989 176.300 0.112 0.000 1.080 147 D CA 0.369 54.388 54.000 0.031 0.000 0.836 147 D CB 1.020 41.834 40.800 0.024 0.000 1.125 147 D HN -0.052 nan 8.370 nan 0.000 0.525 148 T N 2.301 116.961 114.554 0.176 0.000 2.652 148 T HA -0.195 4.150 4.350 -0.009 0.000 0.267 148 T C 1.938 176.675 174.700 0.061 0.000 1.039 148 T CA 1.555 63.773 62.100 0.197 0.000 1.153 148 T CB -0.294 68.686 68.868 0.186 0.000 0.863 148 T HN 0.559 nan 8.240 nan 0.000 0.428 149 A N 1.772 124.617 122.820 0.042 0.000 1.908 149 A HA -0.176 4.138 4.320 -0.009 0.000 0.218 149 A C 2.291 179.879 177.584 0.006 0.000 1.181 149 A CA 1.762 53.807 52.037 0.013 0.000 0.627 149 A CB -0.494 18.514 19.000 0.013 0.000 0.818 149 A HN 0.482 nan 8.150 nan 0.000 0.445 150 K N -0.517 119.895 120.400 0.019 0.000 2.026 150 K HA -0.144 4.171 4.320 -0.009 0.000 0.208 150 K C 1.643 178.247 176.600 0.008 0.000 1.048 150 K CA 1.439 57.736 56.287 0.016 0.000 0.929 150 K CB -0.307 32.208 32.500 0.026 0.000 0.713 150 K HN 0.415 nan 8.250 nan 0.000 0.439 151 D N 1.102 121.513 120.400 0.020 0.000 2.104 151 D HA -0.160 4.475 4.640 -0.009 0.000 0.194 151 D C 1.949 178.193 176.300 -0.093 0.000 0.994 151 D CA 1.132 55.125 54.000 -0.011 0.000 0.830 151 D CB -0.266 40.548 40.800 0.024 0.000 0.959 151 D HN 0.182 nan 8.370 nan 0.000 0.452 152 I N 1.192 121.707 120.570 -0.091 0.000 2.179 152 I HA -0.271 3.894 4.170 -0.009 0.000 0.242 152 I C 2.536 178.589 176.117 -0.106 0.000 1.088 152 I CA 1.024 62.249 61.300 -0.125 0.000 1.357 152 I CB -0.273 37.675 38.000 -0.086 0.000 1.051 152 I HN -0.073 nan 8.210 nan 0.000 0.409 153 A N 0.544 123.327 122.820 -0.061 0.000 1.865 153 A HA -0.311 4.003 4.320 -0.009 0.000 0.217 153 A C 2.301 179.852 177.584 -0.054 0.000 1.191 153 A CA 2.239 54.249 52.037 -0.045 0.000 0.623 153 A CB -0.818 18.168 19.000 -0.024 0.000 0.826 153 A HN 0.513 nan 8.150 nan 0.000 0.444 154 E N -0.720 119.451 120.200 -0.047 0.000 2.085 154 E HA -0.141 4.204 4.350 -0.009 0.000 0.194 154 E C 2.011 178.564 176.600 -0.077 0.000 0.994 154 E CA 1.282 57.661 56.400 -0.035 0.000 0.801 154 E CB -0.474 29.249 29.700 0.038 0.000 0.743 154 E HN 0.515 nan 8.360 nan 0.000 0.453 155 G N 0.227 108.905 108.800 -0.204 0.000 2.408 155 G HA2 -0.278 3.677 3.960 -0.009 0.000 0.217 155 G HA3 -0.278 3.677 3.960 -0.009 0.000 0.217 155 G C 1.496 176.313 174.900 -0.138 0.000 1.150 155 G CA 0.769 45.604 45.100 -0.441 0.000 0.776 155 G HN 0.251 nan 8.290 nan 0.000 0.542 156 E N 0.652 120.788 120.200 -0.106 0.000 2.110 156 E HA -0.096 4.249 4.350 -0.009 0.000 0.193 156 E C 2.282 178.884 176.600 0.003 0.000 0.988 156 E CA 1.118 57.501 56.400 -0.029 0.000 0.804 156 E CB -0.196 29.482 29.700 -0.037 0.000 0.745 156 E HN 0.485 nan 8.360 nan 0.000 0.458 157 K N -0.534 119.856 120.400 -0.017 0.000 2.209 157 K HA -0.132 4.182 4.320 -0.009 0.000 0.204 157 K C 1.481 178.077 176.600 -0.006 0.000 1.048 157 K CA 0.890 57.164 56.287 -0.020 0.000 0.940 157 K CB 0.037 32.510 32.500 -0.046 0.000 0.729 157 K HN 0.111 nan 8.250 nan 0.000 0.451 158 L N 0.623 121.870 121.223 0.040 0.000 2.162 158 L HA 0.002 4.337 4.340 -0.009 0.000 0.205 158 L C 1.875 178.804 176.870 0.099 0.000 1.086 158 L CA 1.037 55.919 54.840 0.070 0.000 0.778 158 L CB -0.261 41.905 42.059 0.178 0.000 0.928 158 L HN 0.119 nan 8.230 nan 0.000 0.446 159 L N -0.760 120.555 121.223 0.153 0.000 2.456 159 L HA -0.004 4.331 4.340 -0.009 0.000 0.224 159 L C 1.312 178.217 176.870 0.058 0.000 1.148 159 L CA -0.022 54.890 54.840 0.119 0.000 0.825 159 L CB -0.610 41.537 42.059 0.147 0.000 0.937 159 L HN 0.199 nan 8.230 nan 0.000 0.450 166 A N 1.102 123.619 122.820 -0.505 0.000 2.427 166 A HA 0.826 5.140 4.320 -0.009 0.000 0.298 166 A C -1.521 175.745 177.584 -0.531 0.000 1.036 166 A CA -0.614 51.229 52.037 -0.323 0.000 0.701 166 A CB 1.180 20.141 19.000 -0.065 0.000 1.250 166 A HN 0.229 nan 8.150 nan 0.000 0.412 167 F N 0.892 120.907 119.950 0.108 0.000 2.551 167 F HA 0.626 5.147 4.527 -0.009 0.000 0.316 167 F C 0.242 176.075 175.800 0.054 0.000 1.089 167 F CA -0.567 57.484 58.000 0.085 0.000 0.915 167 F CB 2.596 41.638 39.000 0.070 0.000 1.186 167 F HN 0.562 nan 8.300 nan 0.000 0.456 168 K N 4.221 124.747 120.400 0.209 0.000 2.307 168 K HA 0.680 4.995 4.320 -0.009 0.000 0.263 168 K C -1.739 174.892 176.600 0.053 0.000 0.973 168 K CA -0.416 55.936 56.287 0.108 0.000 0.846 168 K CB 0.926 33.495 32.500 0.115 0.000 1.100 168 K HN 0.718 nan 8.250 nan 0.000 0.438 169 L N 4.194 125.442 121.223 0.041 0.000 2.307 169 L HA 0.452 4.787 4.340 -0.009 0.000 0.284 169 L C -0.010 176.866 176.870 0.009 0.000 1.023 169 L CA -1.146 53.715 54.840 0.034 0.000 0.810 169 L CB 1.384 43.474 42.059 0.051 0.000 1.231 169 L HN 0.441 nan 8.230 nan 0.000 0.423 170 K N 5.117 125.517 120.400 -0.001 0.000 2.227 170 K HA 0.646 4.961 4.320 -0.009 0.000 0.280 170 K C -0.390 176.191 176.600 -0.032 0.000 1.041 170 K CA -0.243 56.018 56.287 -0.042 0.000 0.905 170 K CB 1.908 34.370 32.500 -0.063 0.000 1.068 170 K HN 0.625 nan 8.250 nan 0.000 0.470 171 I N -3.375 117.147 120.570 -0.079 0.000 3.354 171 I HA 0.716 4.881 4.170 -0.009 0.000 0.316 171 I C 0.654 176.676 176.117 -0.158 0.000 1.182 171 I CA -0.856 60.401 61.300 -0.071 0.000 0.942 171 I CB 2.131 40.132 38.000 0.003 0.000 1.299 171 I HN 0.588 nan 8.210 nan 0.000 0.473 172 G N 0.672 109.413 108.800 -0.099 0.000 2.201 172 G HA2 -0.159 3.796 3.960 -0.009 0.000 0.212 172 G HA3 -0.159 3.796 3.960 -0.009 0.000 0.212 172 G C 0.649 175.547 174.900 -0.002 0.000 0.994 172 G CA 0.352 45.373 45.100 -0.131 0.000 0.644 172 G HN 1.353 nan 8.290 nan 0.000 0.508 173 A N -0.472 122.349 122.820 0.002 0.000 2.308 173 A HA 0.739 5.054 4.320 -0.009 0.000 0.217 173 A C 1.207 178.809 177.584 0.030 0.000 1.216 173 A CA 1.153 53.199 52.037 0.015 0.000 0.864 173 A CB 0.179 19.177 19.000 -0.004 0.000 0.902 173 A HN 0.473 nan 8.150 nan 0.000 0.499 174 R N -0.633 119.899 120.500 0.053 0.000 2.885 174 R HA 0.447 4.782 4.340 -0.009 0.000 0.260 174 R C -0.848 175.509 176.300 0.095 0.000 1.107 174 R CA -0.935 55.197 56.100 0.053 0.000 0.978 174 R CB 0.521 30.834 30.300 0.021 0.000 1.227 174 R HN 0.113 nan 8.270 nan 0.000 0.473 175 E N 1.354 121.594 120.200 0.068 0.000 2.437 175 E HA -0.093 4.252 4.350 -0.009 0.000 0.263 175 E C 0.864 177.517 176.600 0.089 0.000 1.030 175 E CA 0.145 56.584 56.400 0.065 0.000 0.934 175 E CB 0.544 30.265 29.700 0.035 0.000 0.943 175 E HN 0.365 nan 8.360 nan 0.000 0.444 176 L N 3.835 125.095 121.223 0.062 0.000 1.990 176 L HA -0.263 4.072 4.340 -0.009 0.000 0.213 176 L C 2.041 178.936 176.870 0.042 0.000 1.072 176 L CA 2.771 57.632 54.840 0.037 0.000 0.755 176 L CB -0.935 41.033 42.059 -0.150 0.000 0.889 176 L HN 0.671 nan 8.230 nan 0.000 0.432 177 A N -1.804 121.024 122.820 0.013 0.000 1.940 177 A HA -0.236 4.079 4.320 -0.009 0.000 0.219 177 A C 2.250 179.864 177.584 0.050 0.000 1.176 177 A CA 2.442 54.491 52.037 0.019 0.000 0.631 177 A CB -1.246 17.758 19.000 0.006 0.000 0.814 177 A HN 0.574 nan 8.150 nan 0.000 0.446 178 T N 0.018 114.608 114.554 0.059 0.000 2.701 178 T HA -0.115 4.230 4.350 -0.009 0.000 0.263 178 T C 1.553 176.321 174.700 0.113 0.000 1.040 178 T CA 1.447 63.589 62.100 0.069 0.000 1.147 178 T CB -0.420 68.477 68.868 0.048 0.000 0.865 178 T HN 0.445 nan 8.240 nan 0.000 0.426 179 D N 1.047 121.529 120.400 0.136 0.000 2.144 179 D HA -0.004 4.631 4.640 -0.009 0.000 0.199 179 D C 2.134 178.568 176.300 0.224 0.000 0.984 179 D CA 0.657 54.774 54.000 0.196 0.000 0.834 179 D CB -0.311 40.636 40.800 0.244 0.000 0.955 179 D HN 0.306 nan 8.370 nan 0.000 0.465 180 L N 0.238 121.564 121.223 0.171 0.000 2.056 180 L HA -0.103 4.232 4.340 -0.009 0.000 0.207 180 L C 2.588 179.516 176.870 0.098 0.000 1.078 180 L CA 1.018 55.935 54.840 0.129 0.000 0.749 180 L CB -0.224 41.880 42.059 0.075 0.000 0.901 180 L HN -0.055 nan 8.230 nan 0.000 0.433 181 R N -1.043 119.513 120.500 0.092 0.000 2.081 181 R HA -0.215 4.120 4.340 -0.009 0.000 0.235 181 R C 2.308 178.660 176.300 0.085 0.000 1.131 181 R CA 1.578 57.721 56.100 0.071 0.000 0.960 181 R CB -0.596 29.742 30.300 0.064 0.000 0.856 181 R HN 0.379 nan 8.270 nan 0.000 0.436 182 H N 0.266 119.354 119.070 0.030 0.000 2.290 182 H HA -0.124 4.427 4.556 -0.008 0.000 0.298 182 H C 2.172 177.512 175.328 0.020 0.000 1.087 182 H CA 2.342 58.404 56.048 0.022 0.000 1.291 182 H CB -0.415 29.363 29.762 0.026 0.000 1.369 182 H HN 0.054 nan 8.280 nan 0.000 0.492 183 T N -0.517 114.007 114.554 -0.050 0.000 2.788 183 T HA -0.157 4.188 4.350 -0.009 0.000 0.268 183 T C 2.212 176.866 174.700 -0.076 0.000 1.044 183 T CA 1.546 63.584 62.100 -0.104 0.000 1.139 183 T CB -0.366 68.528 68.868 0.043 0.000 0.867 183 T HN 0.414 nan 8.240 nan 0.000 0.454 184 R N 0.009 120.495 120.500 -0.024 0.000 2.081 184 R HA 0.010 4.344 4.340 -0.009 0.000 0.235 184 R C 2.615 178.892 176.300 -0.037 0.000 1.131 184 R CA 1.419 57.510 56.100 -0.014 0.000 0.960 184 R CB -0.603 29.701 30.300 0.007 0.000 0.856 184 R HN 0.452 nan 8.270 nan 0.000 0.436 185 A N 0.882 123.667 122.820 -0.057 0.000 1.933 185 A HA -0.132 4.183 4.320 -0.009 0.000 0.218 185 A C 2.117 179.647 177.584 -0.090 0.000 1.175 185 A CA 1.329 53.329 52.037 -0.062 0.000 0.628 185 A CB -0.423 18.544 19.000 -0.055 0.000 0.814 185 A HN 0.356 nan 8.150 nan 0.000 0.444 186 I N -0.637 119.842 120.570 -0.152 0.000 2.286 186 I HA -0.174 3.991 4.170 -0.009 0.000 0.245 186 I C 2.301 178.370 176.117 -0.080 0.000 1.104 186 I CA 0.846 62.053 61.300 -0.154 0.000 1.397 186 I CB -0.248 37.609 38.000 -0.239 0.000 1.072 186 I HN 0.141 nan 8.210 nan 0.000 0.417 187 V N 0.915 120.798 119.914 -0.052 0.000 2.343 187 V HA -0.266 3.849 4.120 -0.009 0.000 0.247 187 V C 2.323 178.416 176.094 -0.001 0.000 1.051 187 V CA 1.902 64.198 62.300 -0.006 0.000 1.036 187 V CB -0.671 31.155 31.823 0.005 0.000 0.654 187 V HN 0.448 nan 8.190 nan 0.000 0.451 188 E N 0.263 120.456 120.200 -0.012 0.000 2.153 188 E HA -0.158 4.187 4.350 -0.009 0.000 0.194 188 E C 2.231 178.827 176.600 -0.007 0.000 0.988 188 E CA 1.297 57.694 56.400 -0.006 0.000 0.811 188 E CB -0.244 29.451 29.700 -0.009 0.000 0.746 188 E HN 0.625 nan 8.360 nan 0.000 0.466 189 A N 0.374 123.181 122.820 -0.021 0.000 1.943 189 A HA -0.015 4.300 4.320 -0.009 0.000 0.213 189 A C 1.838 179.416 177.584 -0.010 0.000 1.181 189 A CA 0.794 52.818 52.037 -0.022 0.000 0.653 189 A CB 0.129 19.103 19.000 -0.044 0.000 0.833 189 A HN 0.079 nan 8.150 nan 0.000 0.451 190 L N -1.100 120.119 121.223 -0.006 0.000 2.609 190 L HA 0.276 4.611 4.340 -0.009 0.000 0.230 190 L C 2.412 179.338 176.870 0.094 0.000 1.087 190 L CA 0.919 55.785 54.840 0.044 0.000 0.874 190 L CB -0.850 41.213 42.059 0.007 0.000 1.114 190 L HN 0.305 nan 8.230 nan 0.000 0.488 191 G N -0.069 108.771 108.800 0.065 0.000 2.475 191 G HA2 -0.296 3.659 3.960 -0.009 0.000 0.220 191 G HA3 -0.296 3.659 3.960 -0.009 0.000 0.220 191 G C 1.198 176.137 174.900 0.065 0.000 1.125 191 G CA 1.029 46.172 45.100 0.072 0.000 0.755 191 G HN 0.309 nan 8.290 nan 0.000 0.565 192 D N 0.408 120.839 120.400 0.052 0.000 2.182 192 D HA -0.077 4.558 4.640 -0.009 0.000 0.201 192 D C 2.413 178.742 176.300 0.048 0.000 0.986 192 D CA 1.050 55.075 54.000 0.042 0.000 0.847 192 D CB -0.047 40.772 40.800 0.033 0.000 0.942 192 D HN 0.627 nan 8.370 nan 0.000 0.467 193 R N -0.854 119.686 120.500 0.067 0.000 2.600 193 R HA 0.670 5.005 4.340 -0.009 0.000 0.392 193 R C -0.355 175.994 176.300 0.082 0.000 1.032 193 R CA -0.345 55.793 56.100 0.064 0.000 1.139 193 R CB 0.846 31.182 30.300 0.060 0.000 1.400 193 R HN -0.031 nan 8.270 nan 0.000 0.566 194 A N 0.750 123.635 122.820 0.108 0.000 2.547 194 A HA 0.453 4.768 4.320 -0.009 0.000 0.297 194 A C -0.940 176.714 177.584 0.116 0.000 1.056 194 A CA -0.588 51.517 52.037 0.114 0.000 0.688 194 A CB 1.996 21.158 19.000 0.269 0.000 1.282 194 A HN 0.130 nan 8.150 nan 0.000 0.400 195 S N 2.041 117.784 115.700 0.072 0.000 2.488 195 S HA 0.469 4.934 4.470 -0.009 0.000 0.278 195 S C -0.106 174.580 174.600 0.143 0.000 1.259 195 S CA -0.243 58.018 58.200 0.101 0.000 1.061 195 S CB -0.456 62.802 63.200 0.096 0.000 0.910 195 S HN 0.442 nan 8.310 nan 0.000 0.491 196 I N 5.644 126.302 120.570 0.146 0.000 2.339 196 I HA 0.464 4.629 4.170 -0.009 0.000 0.290 196 I C 0.184 176.363 176.117 0.104 0.000 0.994 196 I CA -0.514 60.876 61.300 0.150 0.000 1.191 196 I CB 1.238 39.309 38.000 0.119 0.000 1.343 196 I HN 0.633 nan 8.210 nan 0.000 0.458 197 R N 4.320 124.874 120.500 0.090 0.000 2.854 197 R HA 0.827 5.162 4.340 -0.009 0.000 0.271 197 R C -0.612 175.691 176.300 0.005 0.000 0.996 197 R CA -0.768 55.343 56.100 0.018 0.000 0.961 197 R CB 2.288 32.574 30.300 -0.023 0.000 1.182 197 R HN 0.486 nan 8.270 nan 0.000 0.479 198 V N -2.232 117.658 119.914 -0.040 0.000 3.001 198 V HA 0.738 4.852 4.120 -0.009 0.000 0.314 198 V C -1.206 174.828 176.094 -0.100 0.000 1.099 198 V CA -0.784 61.489 62.300 -0.045 0.000 0.989 198 V CB 2.328 34.136 31.823 -0.025 0.000 1.040 198 V HN 0.701 nan 8.190 nan 0.000 0.434 199 D N 0.978 121.310 120.400 -0.114 0.000 2.575 199 D HA 0.516 5.151 4.640 -0.009 0.000 0.250 199 D C 0.157 176.327 176.300 -0.215 0.000 1.279 199 D CA -0.290 53.621 54.000 -0.148 0.000 0.925 199 D CB 2.078 42.820 40.800 -0.097 0.000 1.261 199 D HN 0.367 nan 8.370 nan 0.000 0.567 200 V N 3.116 122.838 119.914 -0.320 0.000 3.608 200 V HA 0.070 4.184 4.120 -0.009 0.000 0.269 200 V C 1.041 176.945 176.094 -0.318 0.000 1.245 200 V CA 0.200 62.205 62.300 -0.492 0.000 1.138 200 V CB -1.393 29.878 31.823 -0.919 0.000 0.841 200 V HN 0.811 nan 8.190 nan 0.000 0.451 201 N N 1.625 120.206 118.700 -0.199 0.000 2.699 201 N HA -0.308 4.427 4.740 -0.009 0.000 0.256 201 N C 0.648 176.105 175.510 -0.088 0.000 0.993 201 N CA 1.144 54.129 53.050 -0.108 0.000 0.759 201 N CB -1.085 37.366 38.487 -0.060 0.000 0.906 201 N HN 0.748 nan 8.380 nan 0.000 0.541 202 Q N -3.883 115.849 119.800 -0.114 0.000 2.374 202 Q HA -0.328 4.007 4.340 -0.009 0.000 0.218 202 Q C 1.125 177.089 176.000 -0.060 0.000 0.691 202 Q CA 1.192 56.950 55.803 -0.076 0.000 1.340 202 Q CB -1.779 26.922 28.738 -0.062 0.000 1.498 202 Q HN 0.672 nan 8.270 nan 0.000 0.739 203 A N -0.192 122.548 122.820 -0.133 0.000 1.969 203 A HA -0.102 4.213 4.320 -0.009 0.000 0.218 203 A C 0.430 178.075 177.584 0.102 0.000 1.169 203 A CA 0.837 52.827 52.037 -0.078 0.000 0.635 203 A CB -0.092 18.799 19.000 -0.183 0.000 0.810 203 A HN 0.394 nan 8.150 nan 0.000 0.445 204 W N 2.110 123.417 121.300 0.012 0.000 2.316 204 W HA 0.352 5.007 4.660 -0.009 0.000 0.321 204 W C -0.087 176.440 176.519 0.014 0.000 1.203 204 W CA -1.722 55.630 57.345 0.012 0.000 1.214 204 W CB 0.122 29.589 29.460 0.011 0.000 1.169 204 W HN 0.422 nan 8.180 nan 0.000 0.561 205 D N 0.527 121.069 120.400 0.237 0.000 2.384 205 D HA 0.228 4.863 4.640 -0.009 0.000 0.244 205 D C 1.050 177.417 176.300 0.111 0.000 1.251 205 D CA -0.229 53.848 54.000 0.129 0.000 0.961 205 D CB 0.796 41.641 40.800 0.075 0.000 1.116 205 D HN 0.286 nan 8.370 nan 0.000 0.484 206 A N 0.606 123.471 122.820 0.074 0.000 1.883 206 A HA -0.081 4.234 4.320 -0.009 0.000 0.217 206 A C 2.268 179.863 177.584 0.018 0.000 1.186 206 A CA 2.738 54.809 52.037 0.056 0.000 0.624 206 A CB -1.184 17.841 19.000 0.043 0.000 0.822 206 A HN 0.718 nan 8.150 nan 0.000 0.444 207 A N -1.218 121.597 122.820 -0.008 0.000 1.873 207 A HA -0.070 4.245 4.320 -0.009 0.000 0.215 207 A C 2.322 179.840 177.584 -0.110 0.000 1.186 207 A CA 2.293 54.302 52.037 -0.046 0.000 0.616 207 A CB -1.312 17.663 19.000 -0.041 0.000 0.823 207 A HN 0.433 nan 8.150 nan 0.000 0.442 208 T N -0.165 114.300 114.554 -0.147 0.000 2.746 208 T HA -0.045 4.299 4.350 -0.009 0.000 0.267 208 T C 1.966 176.364 174.700 -0.503 0.000 1.039 208 T CA 1.445 63.334 62.100 -0.352 0.000 1.142 208 T CB -0.661 67.977 68.868 -0.383 0.000 0.866 208 T HN 0.592 nan 8.240 nan 0.000 0.444 209 G N 1.175 109.868 108.800 -0.179 0.000 2.440 209 G HA2 -0.093 3.861 3.960 -0.009 0.000 0.218 209 G HA3 -0.093 3.861 3.960 -0.009 0.000 0.218 209 G C 1.823 176.702 174.900 -0.035 0.000 1.154 209 G CA 0.986 46.112 45.100 0.043 0.000 0.767 209 G HN 0.584 nan 8.290 nan 0.000 0.552 210 A N 0.705 123.493 122.820 -0.052 0.000 1.858 210 A HA -0.031 4.284 4.320 -0.009 0.000 0.216 210 A C 2.230 179.761 177.584 -0.089 0.000 1.190 210 A CA 2.186 54.199 52.037 -0.041 0.000 0.617 210 A CB -0.487 18.493 19.000 -0.032 0.000 0.827 210 A HN 0.400 nan 8.150 nan 0.000 0.443 211 K N -0.726 119.581 120.400 -0.155 0.000 2.026 211 K HA -0.107 4.207 4.320 -0.009 0.000 0.208 211 K C 2.084 178.555 176.600 -0.214 0.000 1.048 211 K CA 1.496 57.682 56.287 -0.169 0.000 0.929 211 K CB -0.597 31.788 32.500 -0.192 0.000 0.713 211 K HN 0.374 nan 8.250 nan 0.000 0.439 212 G N 0.850 109.397 108.800 -0.422 0.000 2.446 212 G HA2 -0.278 3.676 3.960 -0.009 0.000 0.217 212 G HA3 -0.278 3.676 3.960 -0.009 0.000 0.217 212 G C 1.679 176.539 174.900 -0.067 0.000 1.168 212 G CA 1.075 45.885 45.100 -0.483 0.000 0.771 212 G HN 0.449 nan 8.290 nan 0.000 0.551 213 C N -0.001 119.322 119.300 0.038 0.000 2.425 213 C HA 0.048 4.503 4.460 -0.009 0.000 0.277 213 C C 2.975 177.998 174.990 0.055 0.000 1.280 213 C CA 0.637 59.734 59.018 0.131 0.000 1.744 213 C CB -0.841 26.981 27.740 0.136 0.000 1.989 213 C HN 0.443 nan 8.230 nan 0.000 0.491 214 R N 0.543 121.048 120.500 0.008 0.000 2.081 214 R HA -0.107 4.228 4.340 -0.009 0.000 0.235 214 R C 2.224 178.527 176.300 0.005 0.000 1.131 214 R CA 1.118 57.218 56.100 0.001 0.000 0.960 214 R CB -0.280 30.009 30.300 -0.018 0.000 0.856 214 R HN 0.585 nan 8.270 nan 0.000 0.436 215 E N 0.807 121.004 120.200 -0.005 0.000 2.077 215 E HA -0.163 4.182 4.350 -0.009 0.000 0.193 215 E C 2.164 178.784 176.600 0.033 0.000 0.989 215 E CA 0.965 57.368 56.400 0.005 0.000 0.800 215 E CB -0.147 29.546 29.700 -0.011 0.000 0.746 215 E HN 0.338 nan 8.360 nan 0.000 0.452 216 L N 0.485 121.744 121.223 0.061 0.000 2.017 216 L HA -0.164 4.170 4.340 -0.009 0.000 0.208 216 L C 2.612 179.513 176.870 0.052 0.000 1.073 216 L CA 1.227 56.114 54.840 0.077 0.000 0.745 216 L CB -0.575 41.558 42.059 0.123 0.000 0.894 216 L HN 0.061 nan 8.230 nan 0.000 0.432 217 A N 0.054 122.900 122.820 0.043 0.000 1.908 217 A HA -0.210 4.105 4.320 -0.009 0.000 0.218 217 A C 2.524 180.124 177.584 0.026 0.000 1.181 217 A CA 1.869 53.925 52.037 0.031 0.000 0.627 217 A CB -0.794 18.220 19.000 0.024 0.000 0.818 217 A HN 0.418 nan 8.150 nan 0.000 0.445 218 A N 0.469 123.302 122.820 0.022 0.000 1.933 218 A HA -0.142 4.173 4.320 -0.009 0.000 0.218 218 A C 2.241 179.837 177.584 0.019 0.000 1.175 218 A CA 1.966 54.013 52.037 0.016 0.000 0.628 218 A CB -0.715 18.291 19.000 0.010 0.000 0.814 218 A HN 0.857 nan 8.150 nan 0.000 0.444 219 M N -2.743 116.871 119.600 0.024 0.000 2.659 219 M HA 0.368 4.843 4.480 -0.009 0.000 0.243 219 M C 1.140 177.457 176.300 0.027 0.000 1.111 219 M CA 1.182 56.496 55.300 0.023 0.000 1.070 219 M CB 0.010 32.624 32.600 0.024 0.000 1.525 219 M HN 0.715 nan 8.290 nan 0.000 0.517 220 G N 0.952 109.771 108.800 0.032 0.000 2.144 220 G HA2 -0.160 3.795 3.960 -0.009 0.000 0.218 220 G HA3 -0.160 3.795 3.960 -0.009 0.000 0.218 220 G C -0.110 174.819 174.900 0.048 0.000 0.988 220 G CA -0.126 44.997 45.100 0.038 0.000 0.659 220 G HN 0.366 nan 8.290 nan 0.000 0.522 221 V N 1.320 121.261 119.914 0.046 0.000 2.673 221 V HA 0.158 4.273 4.120 -0.009 0.000 0.303 221 V C 1.387 177.514 176.094 0.055 0.000 1.046 221 V CA 0.780 63.109 62.300 0.050 0.000 1.126 221 V CB 1.159 33.007 31.823 0.042 0.000 0.934 221 V HN 0.303 nan 8.190 nan 0.000 0.487 222 D N 2.539 122.986 120.400 0.079 0.000 2.289 222 D HA 0.128 4.762 4.640 -0.009 0.000 0.207 222 D C 0.117 176.446 176.300 0.047 0.000 0.966 222 D CA 0.839 54.920 54.000 0.136 0.000 0.868 222 D CB 0.531 41.478 40.800 0.245 0.000 0.943 222 D HN 0.304 nan 8.370 nan 0.000 0.514 223 L N 0.322 121.495 121.223 -0.084 0.000 2.565 223 L HA 0.362 4.697 4.340 -0.009 0.000 0.261 223 L C -1.873 174.873 176.870 -0.208 0.000 0.932 223 L CA -0.431 54.225 54.840 -0.306 0.000 0.878 223 L CB 2.103 43.787 42.059 -0.625 0.000 1.333 223 L HN -0.245 nan 8.230 nan 0.000 0.409 224 I N 3.695 124.151 120.570 -0.189 0.000 2.355 224 I HA 0.414 4.578 4.170 -0.009 0.000 0.288 224 I C -0.254 175.774 176.117 -0.149 0.000 0.999 224 I CA -0.466 60.764 61.300 -0.117 0.000 1.163 224 I CB 1.725 39.709 38.000 -0.026 0.000 1.316 224 I HN 0.627 nan 8.210 nan 0.000 0.454 225 E N 5.786 125.885 120.200 -0.169 0.000 2.227 225 E HA 0.112 4.457 4.350 -0.009 0.000 0.282 225 E C -0.175 176.345 176.600 -0.132 0.000 1.015 225 E CA -0.690 55.611 56.400 -0.165 0.000 0.823 225 E CB 0.821 30.411 29.700 -0.183 0.000 1.081 225 E HN 0.455 nan 8.360 nan 0.000 0.396 226 Q N 3.992 123.736 119.800 -0.094 0.000 2.417 226 Q HA -0.175 4.160 4.340 -0.009 0.000 0.368 226 Q C -1.954 173.986 176.000 -0.100 0.000 1.359 226 Q CA 0.681 56.435 55.803 -0.081 0.000 1.122 226 Q CB -0.287 28.397 28.738 -0.090 0.000 1.295 226 Q HN 0.505 nan 8.270 nan 0.000 0.337 227 P HA -0.123 nan 4.420 nan 0.000 0.217 227 P C 0.559 177.881 177.300 0.036 0.000 1.150 227 P CA 1.697 64.769 63.100 -0.046 0.000 0.832 227 P CB 0.038 31.829 31.700 0.152 0.000 0.787 228 V N -3.679 116.274 119.914 0.066 0.000 3.234 228 V HA 0.623 4.738 4.120 -0.009 0.000 0.317 228 V C 0.418 176.524 176.094 0.019 0.000 1.147 228 V CA -1.221 61.130 62.300 0.084 0.000 1.037 228 V CB 0.909 32.798 31.823 0.110 0.000 1.148 228 V HN -0.013 nan 8.190 nan 0.000 0.455 229 S N 0.263 115.978 115.700 0.026 0.000 2.572 229 S HA 0.450 4.914 4.470 -0.009 0.000 0.279 229 S C 1.348 175.916 174.600 -0.053 0.000 1.341 229 S CA 0.094 58.276 58.200 -0.030 0.000 1.043 229 S CB 0.918 64.122 63.200 0.008 0.000 0.887 229 S HN 1.683 nan 8.310 nan 0.000 0.516 230 A N 3.079 125.813 122.820 -0.143 0.000 2.172 230 A HA -0.000 4.315 4.320 -0.009 0.000 0.216 230 A C 1.486 179.037 177.584 -0.055 0.000 1.154 230 A CA 1.244 53.206 52.037 -0.124 0.000 0.701 230 A CB -0.904 17.998 19.000 -0.164 0.000 0.789 230 A HN 1.016 nan 8.150 nan 0.000 0.465 231 H N -1.867 117.199 119.070 -0.007 0.000 2.547 231 H HA 0.026 4.576 4.556 -0.010 0.000 0.272 231 H C 0.006 175.335 175.328 0.002 0.000 0.989 231 H CA 0.515 56.561 56.048 -0.004 0.000 1.214 231 H CB 0.413 30.174 29.762 -0.001 0.000 1.389 231 H HN 0.309 nan 8.280 nan 0.000 0.577 232 D N -0.521 119.946 120.400 0.111 0.000 2.749 232 D HA 0.070 4.705 4.640 -0.009 0.000 0.338 232 D C 0.105 176.435 176.300 0.050 0.000 1.236 232 D CA -0.141 53.904 54.000 0.076 0.000 0.845 232 D CB -0.414 40.434 40.800 0.079 0.000 1.080 232 D HN 0.249 nan 8.370 nan 0.000 0.497 233 N N -0.023 118.698 118.700 0.034 0.000 2.364 233 N HA -0.152 4.582 4.740 -0.009 0.000 0.183 233 N C 1.751 177.290 175.510 0.048 0.000 1.022 233 N CA 0.779 53.840 53.050 0.019 0.000 0.883 233 N CB 0.401 38.885 38.487 -0.005 0.000 0.965 233 N HN 0.262 nan 8.380 nan 0.000 0.438 234 A N 1.371 124.221 122.820 0.049 0.000 1.877 234 A HA -0.071 4.244 4.320 -0.009 0.000 0.216 234 A C 2.361 179.984 177.584 0.064 0.000 1.186 234 A CA 1.715 53.784 52.037 0.053 0.000 0.620 234 A CB -0.801 18.224 19.000 0.042 0.000 0.822 234 A HN 0.338 nan 8.150 nan 0.000 0.443 235 A N -0.663 122.195 122.820 0.064 0.000 1.902 235 A HA -0.031 4.283 4.320 -0.009 0.000 0.217 235 A C 2.136 179.777 177.584 0.094 0.000 1.181 235 A CA 1.711 53.791 52.037 0.071 0.000 0.623 235 A CB -0.640 18.404 19.000 0.072 0.000 0.818 235 A HN 0.633 nan 8.150 nan 0.000 0.443 236 L N -0.074 121.211 121.223 0.103 0.000 2.042 236 L HA -0.133 4.202 4.340 -0.009 0.000 0.210 236 L C 2.426 179.439 176.870 0.239 0.000 1.076 236 L CA 1.876 56.807 54.840 0.152 0.000 0.749 236 L CB -0.446 41.671 42.059 0.097 0.000 0.893 236 L HN 0.171 nan 8.230 nan 0.000 0.432 237 V N -0.222 119.819 119.914 0.211 0.000 2.295 237 V HA -0.300 3.815 4.120 -0.009 0.000 0.246 237 V C 2.740 178.901 176.094 0.111 0.000 1.049 237 V CA 2.124 64.554 62.300 0.216 0.000 1.024 237 V CB -0.726 31.188 31.823 0.151 0.000 0.648 237 V HN 0.522 nan 8.190 nan 0.000 0.447 238 R N -0.148 120.401 120.500 0.083 0.000 2.080 238 R HA -0.171 4.164 4.340 -0.009 0.000 0.236 238 R C 2.323 178.647 176.300 0.041 0.000 1.137 238 R CA 1.854 57.983 56.100 0.049 0.000 0.943 238 R CB -0.381 29.946 30.300 0.045 0.000 0.846 238 R HN 0.444 nan 8.270 nan 0.000 0.431 239 L N 0.705 121.964 121.223 0.061 0.000 2.042 239 L HA -0.195 4.140 4.340 -0.009 0.000 0.210 239 L C 2.707 179.590 176.870 0.021 0.000 1.076 239 L CA 1.705 56.577 54.840 0.053 0.000 0.749 239 L CB -0.528 41.583 42.059 0.087 0.000 0.893 239 L HN 0.406 nan 8.230 nan 0.000 0.432 240 S N -0.749 114.959 115.700 0.013 0.000 2.399 240 S HA -0.238 4.227 4.470 -0.009 0.000 0.231 240 S C 1.799 176.327 174.600 -0.121 0.000 1.022 240 S CA 1.049 59.179 58.200 -0.117 0.000 0.983 240 S CB -0.304 62.693 63.200 -0.338 0.000 0.803 240 S HN 0.533 nan 8.310 nan 0.000 0.480 241 Q N 0.637 120.399 119.800 -0.065 0.000 2.398 241 Q HA 0.051 4.386 4.340 -0.009 0.000 0.204 241 Q C 2.312 178.292 176.000 -0.033 0.000 0.932 241 Q CA 0.984 56.755 55.803 -0.054 0.000 0.916 241 Q CB 0.000 28.720 28.738 -0.030 0.000 1.024 241 Q HN 0.964 nan 8.270 nan 0.000 0.504 242 Q N -0.728 119.060 119.800 -0.020 0.000 2.369 242 Q HA 0.142 4.477 4.340 -0.009 0.000 0.254 242 Q C 0.421 176.415 176.000 -0.010 0.000 0.858 242 Q CA -0.146 55.650 55.803 -0.012 0.000 0.961 242 Q CB 0.527 29.264 28.738 -0.003 0.000 1.119 242 Q HN 0.091 nan 8.270 nan 0.000 0.538 243 I N 3.277 123.842 120.570 -0.008 0.000 2.588 243 I HA 0.031 4.196 4.170 -0.009 0.000 0.283 243 I C 0.391 176.503 176.117 -0.009 0.000 1.119 243 I CA 0.265 61.564 61.300 -0.002 0.000 1.419 243 I CB 0.965 38.972 38.000 0.011 0.000 1.394 243 I HN 0.307 nan 8.210 nan 0.000 0.562 244 E N 3.719 123.918 120.200 -0.001 0.000 2.545 244 E HA 0.130 4.475 4.350 -0.009 0.000 0.271 244 E C 0.087 176.692 176.600 0.008 0.000 1.508 244 E CA -0.004 56.397 56.400 0.001 0.000 1.774 244 E CB 0.249 29.951 29.700 0.004 0.000 1.460 244 E HN 0.584 nan 8.360 nan 0.000 0.449 245 T N -0.866 113.689 114.554 0.002 0.000 2.749 245 T HA 0.463 4.807 4.350 -0.009 0.000 0.310 245 T C -1.482 173.203 174.700 -0.025 0.000 1.496 245 T CA -0.514 61.591 62.100 0.009 0.000 1.006 245 T CB 1.172 70.050 68.868 0.016 0.000 1.457 245 T HN 0.132 nan 8.240 nan 0.000 0.497 246 A N 2.514 125.312 122.820 -0.037 0.000 2.425 246 A HA 0.625 4.940 4.320 -0.009 0.000 0.249 246 A C -0.160 177.297 177.584 -0.211 0.000 1.084 246 A CA -0.263 51.692 52.037 -0.136 0.000 0.781 246 A CB -0.127 18.751 19.000 -0.204 0.000 1.019 246 A HN 0.617 nan 8.150 nan 0.000 0.490 247 I N 2.212 122.668 120.570 -0.189 0.000 2.441 247 I HA 0.355 4.520 4.170 -0.009 0.000 0.295 247 I C -0.268 175.819 176.117 -0.051 0.000 0.994 247 I CA -0.404 60.843 61.300 -0.088 0.000 1.144 247 I CB 1.383 39.413 38.000 0.048 0.000 1.314 247 I HN 0.561 nan 8.210 nan 0.000 0.445 248 L N 5.139 126.307 121.223 -0.091 0.000 2.325 248 L HA 0.630 4.964 4.340 -0.009 0.000 0.281 248 L C -0.064 176.801 176.870 -0.008 0.000 1.004 248 L CA -0.568 54.203 54.840 -0.114 0.000 0.823 248 L CB 1.658 43.496 42.059 -0.369 0.000 1.236 248 L HN 0.748 nan 8.230 nan 0.000 0.415 249 A N 3.228 126.077 122.820 0.049 0.000 2.328 249 A HA 0.345 4.660 4.320 -0.009 0.000 0.284 249 A C -0.250 177.275 177.584 -0.099 0.000 1.160 249 A CA -0.388 51.573 52.037 -0.127 0.000 0.818 249 A CB 0.982 19.734 19.000 -0.413 0.000 1.087 249 A HN 0.835 nan 8.150 nan 0.000 0.504 250 D N 1.048 121.384 120.400 -0.107 0.000 3.012 250 D HA 0.044 4.679 4.640 -0.009 0.000 0.230 250 D C 1.264 177.511 176.300 -0.088 0.000 1.477 250 D CA 0.381 54.340 54.000 -0.068 0.000 1.329 250 D CB -0.137 40.641 40.800 -0.036 0.000 0.951 250 D HN 0.401 nan 8.370 nan 0.000 0.224 251 E N 0.357 120.515 120.200 -0.069 0.000 2.219 251 E HA -0.034 4.311 4.350 -0.009 0.000 0.198 251 E C 1.720 178.258 176.600 -0.103 0.000 0.998 251 E CA 1.157 57.519 56.400 -0.064 0.000 0.818 251 E CB -0.394 29.270 29.700 -0.060 0.000 0.741 251 E HN 0.359 nan 8.360 nan 0.000 0.477 252 A N 0.076 122.808 122.820 -0.147 0.000 2.121 252 A HA 0.006 4.321 4.320 -0.009 0.000 0.218 252 A C 0.939 178.382 177.584 -0.235 0.000 1.154 252 A CA 0.685 52.612 52.037 -0.183 0.000 0.679 252 A CB 0.339 19.200 19.000 -0.232 0.000 0.795 252 A HN 0.124 nan 8.150 nan 0.000 0.458 253 V N -1.526 118.225 119.914 -0.272 0.000 2.524 253 V HA 0.665 4.780 4.120 -0.009 0.000 0.297 253 V C 0.228 176.202 176.094 -0.200 0.000 1.035 253 V CA 0.035 62.132 62.300 -0.339 0.000 0.867 253 V CB 1.345 32.711 31.823 -0.762 0.000 1.004 253 V HN 0.401 nan 8.190 nan 0.000 0.426 254 A N 4.808 127.564 122.820 -0.107 0.000 1.995 254 A HA 0.492 4.807 4.320 -0.009 0.000 0.200 254 A C 1.067 178.648 177.584 -0.005 0.000 1.566 254 A CA 0.943 52.963 52.037 -0.028 0.000 0.895 254 A CB 0.090 19.107 19.000 0.029 0.000 1.046 254 A HN 1.079 nan 8.150 nan 0.000 0.523 255 T N -4.098 110.468 114.554 0.021 0.000 2.937 255 T HA 0.640 4.985 4.350 -0.009 0.000 0.283 255 T C 1.145 175.850 174.700 0.007 0.000 1.012 255 T CA 0.111 62.239 62.100 0.047 0.000 0.997 255 T CB 1.471 70.438 68.868 0.165 0.000 1.136 255 T HN 0.694 nan 8.240 nan 0.000 0.551 256 A N -0.362 122.419 122.820 -0.065 0.000 2.019 256 A HA 0.049 4.364 4.320 -0.009 0.000 0.219 256 A C 1.958 179.514 177.584 -0.045 0.000 1.164 256 A CA 1.085 53.067 52.037 -0.092 0.000 0.644 256 A CB -1.397 17.482 19.000 -0.201 0.000 0.805 256 A HN 0.893 nan 8.150 nan 0.000 0.449 257 Y N 0.547 120.889 120.300 0.070 0.000 2.145 257 Y HA -0.215 4.330 4.550 -0.008 0.000 0.286 257 Y C 2.323 178.284 175.900 0.101 0.000 1.145 257 Y CA 1.239 59.395 58.100 0.094 0.000 1.148 257 Y CB -0.246 38.248 38.460 0.057 0.000 0.981 257 Y HN 0.280 nan 8.280 nan 0.000 0.507 258 D N -0.457 120.057 120.400 0.190 0.000 2.117 258 D HA -0.146 4.489 4.640 -0.009 0.000 0.197 258 D C 2.390 178.679 176.300 -0.018 0.000 0.987 258 D CA 1.479 55.508 54.000 0.049 0.000 0.829 258 D CB -0.897 39.877 40.800 -0.043 0.000 0.961 258 D HN 0.439 nan 8.370 nan 0.000 0.460 259 G N -0.057 108.725 108.800 -0.031 0.000 2.440 259 G HA2 -0.326 3.629 3.960 -0.009 0.000 0.218 259 G HA3 -0.326 3.629 3.960 -0.009 0.000 0.218 259 G C 1.611 176.638 174.900 0.212 0.000 1.154 259 G CA 0.900 46.007 45.100 0.011 0.000 0.767 259 G HN 0.317 nan 8.290 nan 0.000 0.552 260 Y N 1.116 121.485 120.300 0.115 0.000 2.133 260 Y HA -0.098 4.447 4.550 -0.009 0.000 0.287 260 Y C 3.043 179.014 175.900 0.119 0.000 1.134 260 Y CA 2.171 60.343 58.100 0.121 0.000 1.133 260 Y CB -0.448 38.068 38.460 0.093 0.000 0.987 260 Y HN 0.296 nan 8.280 nan 0.000 0.502 261 Q N -0.346 119.434 119.800 -0.034 0.000 2.045 261 Q HA -0.241 4.094 4.340 -0.009 0.000 0.206 261 Q C 2.223 178.152 176.000 -0.118 0.000 0.991 261 Q CA 2.076 57.818 55.803 -0.101 0.000 0.851 261 Q CB -0.513 28.262 28.738 0.061 0.000 0.911 261 Q HN 0.504 nan 8.270 nan 0.000 0.418 262 L N 0.462 121.660 121.223 -0.042 0.000 2.046 262 L HA -0.142 4.193 4.340 -0.009 0.000 0.208 262 L C 2.131 179.060 176.870 0.098 0.000 1.077 262 L CA 2.081 56.926 54.840 0.007 0.000 0.747 262 L CB -0.804 41.214 42.059 -0.068 0.000 0.896 262 L HN 0.165 nan 8.230 nan 0.000 0.432 263 A N -1.206 121.676 122.820 0.103 0.000 1.902 263 A HA -0.247 4.067 4.320 -0.009 0.000 0.217 263 A C 2.264 179.820 177.584 -0.047 0.000 1.181 263 A CA 1.621 53.715 52.037 0.095 0.000 0.623 263 A CB -0.756 18.293 19.000 0.082 0.000 0.818 263 A HN 0.590 nan 8.150 nan 0.000 0.443 264 Q N -0.141 119.509 119.800 -0.250 0.000 2.170 264 Q HA -0.231 4.104 4.340 -0.009 0.000 0.203 264 Q C 1.963 177.906 176.000 -0.094 0.000 0.976 264 Q CA 2.079 57.727 55.803 -0.258 0.000 0.858 264 Q CB -0.303 28.111 28.738 -0.540 0.000 0.907 264 Q HN 0.812 nan 8.270 nan 0.000 0.433 265 Q N -1.281 118.488 119.800 -0.053 0.000 2.369 265 Q HA -0.038 4.297 4.340 -0.009 0.000 0.206 265 Q C 0.474 176.498 176.000 0.039 0.000 0.963 265 Q CA 0.918 56.725 55.803 0.007 0.000 0.894 265 Q CB 0.122 28.877 28.738 0.027 0.000 0.965 265 Q HN 0.642 nan 8.270 nan 0.000 0.475 266 G N -0.116 108.716 108.800 0.052 0.000 2.192 266 G HA2 -0.257 3.697 3.960 -0.009 0.000 0.193 266 G HA3 -0.257 3.697 3.960 -0.009 0.000 0.193 266 G C -0.265 174.677 174.900 0.070 0.000 0.999 266 G CA -0.185 44.942 45.100 0.046 0.000 0.659 266 G HN 0.349 nan 8.290 nan 0.000 0.503 267 F N 2.510 122.462 119.950 0.003 0.000 2.529 267 F HA 0.583 5.105 4.527 -0.008 0.000 0.365 267 F C 0.527 176.322 175.800 -0.007 0.000 1.102 267 F CA 1.068 59.079 58.000 0.018 0.000 1.271 267 F CB 1.336 40.379 39.000 0.071 0.000 1.120 267 F HN 0.087 nan 8.300 nan 0.000 0.579 268 T N 4.416 118.409 114.554 -0.935 0.000 2.886 268 T HA 0.723 5.068 4.350 -0.009 0.000 0.292 268 T C -0.197 173.903 174.700 -1.000 0.000 1.012 268 T CA 0.262 61.948 62.100 -0.690 0.000 0.982 268 T CB 0.911 69.578 68.868 -0.335 0.000 1.018 268 T HN 1.245 nan 8.240 nan 0.000 0.451 269 G N 2.616 111.077 108.800 -0.564 0.000 2.350 269 G HA2 0.520 4.474 3.960 -0.009 0.000 0.085 269 G HA3 0.520 4.474 3.960 -0.009 0.000 0.085 269 G C -0.938 173.921 174.900 -0.067 0.000 1.159 269 G CA 0.105 45.011 45.100 -0.324 0.000 1.146 269 G HN 1.372 nan 8.290 nan 0.000 0.449 270 A N -1.408 121.447 122.820 0.057 0.000 2.527 270 A HA 0.838 5.153 4.320 -0.009 0.000 0.293 270 A C -1.896 175.816 177.584 0.213 0.000 1.117 270 A CA -0.532 51.532 52.037 0.046 0.000 0.723 270 A CB 1.472 20.410 19.000 -0.103 0.000 1.313 270 A HN 1.134 nan 8.150 nan 0.000 0.411 271 Y N -0.164 120.190 120.300 0.089 0.000 2.393 271 Y HA 0.626 5.171 4.550 -0.008 0.000 0.341 271 Y C 0.592 176.515 175.900 0.038 0.000 0.988 271 Y CA -1.434 56.682 58.100 0.025 0.000 1.078 271 Y CB 1.925 40.399 38.460 0.022 0.000 1.203 271 Y HN 0.816 nan 8.280 nan 0.000 0.453 272 A N 5.418 128.352 122.820 0.191 0.000 2.527 272 A HA 0.487 4.801 4.320 -0.009 0.000 0.313 272 A C -0.330 177.307 177.584 0.089 0.000 1.410 272 A CA -0.499 51.667 52.037 0.214 0.000 1.060 272 A CB -0.933 18.190 19.000 0.205 0.000 1.137 272 A HN 0.759 nan 8.150 nan 0.000 0.542 273 L N 2.408 123.624 121.223 -0.013 0.000 2.410 273 L HA 0.270 4.605 4.340 -0.009 0.000 0.273 273 L C 0.327 177.276 176.870 0.132 0.000 1.152 273 L CA 0.419 55.251 54.840 -0.013 0.000 0.855 273 L CB 0.456 42.389 42.059 -0.209 0.000 1.129 273 L HN 0.591 nan 8.230 nan 0.000 0.463 274 K N 3.724 124.265 120.400 0.235 0.000 2.535 274 K HA 0.268 4.583 4.320 -0.009 0.000 0.250 274 K C 0.850 177.518 176.600 0.113 0.000 0.948 274 K CA -0.577 55.845 56.287 0.226 0.000 0.796 274 K CB 2.494 35.025 32.500 0.051 0.000 1.216 274 K HN 0.574 nan 8.250 nan 0.000 0.432 275 I N -0.437 120.149 120.570 0.026 0.000 2.361 275 I HA -0.209 3.956 4.170 -0.009 0.000 0.251 275 I C 1.855 177.864 176.117 -0.180 0.000 1.133 275 I CA 1.584 62.824 61.300 -0.100 0.000 1.413 275 I CB -0.215 37.659 38.000 -0.209 0.000 1.073 275 I HN 0.585 nan 8.210 nan 0.000 0.424 276 A N 1.771 124.391 122.820 -0.333 0.000 1.933 276 A HA -0.155 4.160 4.320 -0.009 0.000 0.218 276 A C 2.396 179.638 177.584 -0.570 0.000 1.175 276 A CA 1.744 53.357 52.037 -0.707 0.000 0.628 276 A CB -0.505 17.677 19.000 -1.364 0.000 0.814 276 A HN 0.514 nan 8.150 nan 0.000 0.444 277 K N -0.586 119.646 120.400 -0.280 0.000 2.103 277 K HA 0.055 4.370 4.320 -0.009 0.000 0.204 277 K C 2.123 178.733 176.600 0.017 0.000 1.052 277 K CA 1.020 57.289 56.287 -0.029 0.000 0.945 277 K CB -0.172 32.337 32.500 0.016 0.000 0.722 277 K HN 0.431 nan 8.250 nan 0.000 0.443 278 A N 0.146 122.963 122.820 -0.006 0.000 2.030 278 A HA 0.193 4.507 4.320 -0.009 0.000 0.215 278 A C 1.415 179.011 177.584 0.020 0.000 1.164 278 A CA 1.094 53.145 52.037 0.022 0.000 0.697 278 A CB 0.115 19.136 19.000 0.035 0.000 0.827 278 A HN 0.392 nan 8.150 nan 0.000 0.457 279 G N -2.851 105.943 108.800 -0.010 0.000 2.148 279 G HA2 0.440 4.395 3.960 -0.009 0.000 0.157 279 G HA3 0.440 4.395 3.960 -0.009 0.000 0.157 279 G C 0.848 175.735 174.900 -0.021 0.000 1.012 279 G CA 0.201 45.302 45.100 0.002 0.000 0.677 279 G HN 2.273 nan 8.290 nan 0.000 0.506 280 G N -1.532 107.237 108.800 -0.052 0.000 2.340 280 G HA2 0.448 4.403 3.960 -0.009 0.000 0.527 280 G HA3 0.448 4.403 3.960 -0.009 0.000 0.527 280 G C -1.641 173.210 174.900 -0.081 0.000 1.381 280 G CA 0.202 45.261 45.100 -0.068 0.000 1.001 280 G HN 0.242 nan 8.290 nan 0.000 0.626 281 P HA -0.084 nan 4.420 nan 0.000 0.216 281 P C 1.479 178.739 177.300 -0.066 0.000 1.150 281 P CA 1.610 64.627 63.100 -0.140 0.000 0.837 281 P CB 0.160 31.776 31.700 -0.140 0.000 0.786 282 N N -1.410 117.266 118.700 -0.040 0.000 2.278 282 N HA -0.056 4.679 4.740 -0.009 0.000 0.181 282 N C 1.634 177.146 175.510 0.003 0.000 1.023 282 N CA 0.754 53.796 53.050 -0.013 0.000 0.862 282 N CB -0.027 38.451 38.487 -0.016 0.000 1.003 282 N HN -0.078 nan 8.380 nan 0.000 0.431 283 S N 0.578 116.277 115.700 -0.002 0.000 2.383 283 S HA -0.110 4.355 4.470 -0.009 0.000 0.229 283 S C 1.904 176.517 174.600 0.023 0.000 1.030 283 S CA 0.733 58.936 58.200 0.006 0.000 1.002 283 S CB -0.371 62.832 63.200 0.006 0.000 0.829 283 S HN 0.261 nan 8.310 nan 0.000 0.467 284 V N 2.051 121.991 119.914 0.044 0.000 2.759 284 V HA -0.072 4.043 4.120 -0.009 0.000 0.256 284 V C 1.732 177.902 176.094 0.127 0.000 1.080 284 V CA 1.243 63.605 62.300 0.104 0.000 1.101 284 V CB -0.499 31.433 31.823 0.180 0.000 0.698 284 V HN 0.472 nan 8.190 nan 0.000 0.477 285 L N -0.003 121.280 121.223 0.100 0.000 2.131 285 L HA -0.107 4.228 4.340 -0.009 0.000 0.210 285 L C 2.742 179.652 176.870 0.067 0.000 1.092 285 L CA 1.424 56.322 54.840 0.097 0.000 0.759 285 L CB -0.882 41.220 42.059 0.071 0.000 0.903 285 L HN 0.424 nan 8.230 nan 0.000 0.435 286 A N 0.101 122.942 122.820 0.036 0.000 1.902 286 A HA -0.191 4.124 4.320 -0.009 0.000 0.217 286 A C 2.322 179.922 177.584 0.026 0.000 1.181 286 A CA 1.325 53.367 52.037 0.008 0.000 0.623 286 A CB -0.608 18.368 19.000 -0.041 0.000 0.818 286 A HN 0.384 nan 8.150 nan 0.000 0.443 287 L N -0.722 120.528 121.223 0.045 0.000 2.046 287 L HA -0.165 4.170 4.340 -0.009 0.000 0.208 287 L C 2.863 179.816 176.870 0.138 0.000 1.077 287 L CA 1.549 56.440 54.840 0.084 0.000 0.747 287 L CB -0.554 41.553 42.059 0.080 0.000 0.896 287 L HN 0.432 nan 8.230 nan 0.000 0.432 288 A N -0.031 122.865 122.820 0.127 0.000 1.908 288 A HA -0.226 4.089 4.320 -0.009 0.000 0.218 288 A C 2.167 179.809 177.584 0.097 0.000 1.181 288 A CA 1.401 53.511 52.037 0.122 0.000 0.627 288 A CB -0.450 18.622 19.000 0.121 0.000 0.818 288 A HN 0.383 nan 8.150 nan 0.000 0.445 289 R N -0.494 120.054 120.500 0.080 0.000 2.092 289 R HA -0.023 4.312 4.340 -0.009 0.000 0.231 289 R C 2.093 178.437 176.300 0.073 0.000 1.119 289 R CA 1.249 57.387 56.100 0.063 0.000 0.970 289 R CB -1.479 28.849 30.300 0.045 0.000 0.864 289 R HN 0.431 nan 8.270 nan 0.000 0.440 290 V N 1.422 121.392 119.914 0.094 0.000 2.343 290 V HA -0.223 3.892 4.120 -0.009 0.000 0.247 290 V C 2.521 178.700 176.094 0.141 0.000 1.051 290 V CA 1.876 64.253 62.300 0.129 0.000 1.036 290 V CB -0.877 31.044 31.823 0.162 0.000 0.654 290 V HN 0.305 nan 8.190 nan 0.000 0.451 291 A N -0.796 122.113 122.820 0.147 0.000 1.877 291 A HA -0.305 4.010 4.320 -0.009 0.000 0.216 291 A C 2.172 179.763 177.584 0.012 0.000 1.186 291 A CA 2.074 54.145 52.037 0.058 0.000 0.620 291 A CB -0.550 18.479 19.000 0.049 0.000 0.822 291 A HN 0.620 nan 8.150 nan 0.000 0.443 292 Q N -0.736 119.085 119.800 0.035 0.000 2.096 292 Q HA -0.158 4.177 4.340 -0.009 0.000 0.204 292 Q C 2.413 178.429 176.000 0.027 0.000 0.982 292 Q CA 1.480 57.298 55.803 0.024 0.000 0.850 292 Q CB -0.430 28.327 28.738 0.032 0.000 0.901 292 Q HN 0.694 nan 8.270 nan 0.000 0.422 293 A N 0.892 123.739 122.820 0.045 0.000 1.978 293 A HA -0.092 4.223 4.320 -0.009 0.000 0.220 293 A C 2.103 179.717 177.584 0.050 0.000 1.170 293 A CA 1.605 53.672 52.037 0.050 0.000 0.636 293 A CB -0.474 18.568 19.000 0.069 0.000 0.810 293 A HN 0.385 nan 8.150 nan 0.000 0.448 294 A N -1.949 120.901 122.820 0.049 0.000 2.275 294 A HA 0.438 4.753 4.320 -0.009 0.000 0.212 294 A C 1.655 179.238 177.584 -0.002 0.000 1.201 294 A CA 1.064 53.122 52.037 0.035 0.000 0.843 294 A CB -0.836 18.194 19.000 0.049 0.000 0.873 294 A HN 1.883 nan 8.150 nan 0.000 0.492 295 G N -0.528 108.266 108.800 -0.010 0.000 2.160 295 G HA2 -0.219 3.735 3.960 -0.009 0.000 0.244 295 G HA3 -0.219 3.735 3.960 -0.009 0.000 0.244 295 G C -0.005 174.864 174.900 -0.051 0.000 1.022 295 G CA 0.377 45.463 45.100 -0.023 0.000 0.741 295 G HN 0.467 nan 8.290 nan 0.000 0.508 296 I N 1.154 121.671 120.570 -0.089 0.000 2.353 296 I HA 0.514 4.679 4.170 -0.009 0.000 0.293 296 I C 1.371 177.432 176.117 -0.094 0.000 0.992 296 I CA -0.365 60.835 61.300 -0.166 0.000 1.268 296 I CB 1.460 39.200 38.000 -0.433 0.000 1.387 296 I HN 0.156 nan 8.210 nan 0.000 0.478 297 G N 6.353 115.156 108.800 0.005 0.000 2.606 297 G HA2 0.492 4.447 3.960 -0.009 0.000 0.252 297 G HA3 0.492 4.447 3.960 -0.009 0.000 0.252 297 G C -0.519 174.471 174.900 0.151 0.000 1.206 297 G CA -0.478 44.707 45.100 0.142 0.000 0.861 297 G HN 0.458 nan 8.290 nan 0.000 0.561 298 L N -0.188 121.153 121.223 0.197 0.000 2.333 298 L HA 0.568 4.903 4.340 -0.009 0.000 0.269 298 L C -1.029 175.990 176.870 0.248 0.000 1.010 298 L CA -1.071 53.860 54.840 0.151 0.000 0.818 298 L CB 2.250 44.331 42.059 0.036 0.000 1.306 298 L HN 0.571 nan 8.230 nan 0.000 0.430 299 Y N 0.137 120.398 120.300 -0.064 0.000 2.441 299 Y HA 0.560 5.105 4.550 -0.009 0.000 0.334 299 Y C 0.009 175.650 175.900 -0.433 0.000 1.061 299 Y CA -0.962 57.069 58.100 -0.115 0.000 1.032 299 Y CB 2.096 40.547 38.460 -0.015 0.000 1.266 299 Y HN 0.536 nan 8.280 nan 0.000 0.441 300 G N 3.630 111.818 108.800 -1.021 0.000 2.519 300 G HA2 0.449 4.404 3.960 -0.009 0.000 0.306 300 G HA3 0.449 4.404 3.960 -0.009 0.000 0.306 300 G C 0.192 174.570 174.900 -0.870 0.000 0.965 300 G CA 0.104 44.279 45.100 -1.541 0.000 1.291 300 G HN 0.968 nan 8.290 nan 0.000 0.450 301 G N 0.449 108.978 108.800 -0.452 0.000 2.528 301 G HA2 0.575 4.529 3.960 -0.009 0.000 0.289 301 G HA3 0.575 4.529 3.960 -0.009 0.000 0.289 301 G C -0.380 174.548 174.900 0.047 0.000 1.192 301 G CA -0.221 44.783 45.100 -0.161 0.000 0.921 301 G HN 0.667 nan 8.290 nan 0.000 0.512 302 T N -0.608 113.921 114.554 -0.042 0.000 2.883 302 T HA 0.475 4.820 4.350 -0.009 0.000 0.296 302 T C 0.217 174.865 174.700 -0.087 0.000 1.117 302 T CA -0.711 61.341 62.100 -0.080 0.000 1.006 302 T CB 1.450 70.184 68.868 -0.222 0.000 1.191 302 T HN 0.194 nan 8.240 nan 0.000 0.508 303 M N 3.055 122.605 119.600 -0.083 0.000 2.496 303 M HA 0.400 4.875 4.480 -0.009 0.000 0.330 303 M C 0.227 176.495 176.300 -0.052 0.000 1.133 303 M CA 0.131 55.410 55.300 -0.036 0.000 0.964 303 M CB -0.717 31.891 32.600 0.013 0.000 1.401 303 M HN 0.690 nan 8.290 nan 0.000 0.520 304 L N 0.621 121.769 121.223 -0.126 0.000 3.600 304 L HA -0.232 4.103 4.340 -0.009 0.000 0.424 304 L C -0.293 176.539 176.870 -0.064 0.000 1.260 304 L CA 0.126 54.888 54.840 -0.130 0.000 0.883 304 L CB -1.765 40.246 42.059 -0.081 0.000 1.895 304 L HN 0.282 nan 8.230 nan 0.000 0.827 305 E N 0.252 120.413 120.200 -0.065 0.000 2.408 305 E HA 0.421 4.766 4.350 -0.009 0.000 0.259 305 E C 1.024 177.617 176.600 -0.012 0.000 1.110 305 E CA 0.812 57.193 56.400 -0.031 0.000 0.929 305 E CB 0.513 30.185 29.700 -0.046 0.000 0.971 305 E HN 0.294 nan 8.360 nan 0.000 0.438 306 G N -0.022 108.780 108.800 0.004 0.000 2.494 306 G HA2 0.021 3.975 3.960 -0.009 0.000 0.270 306 G HA3 0.021 3.975 3.960 -0.009 0.000 0.270 306 G C 0.730 175.649 174.900 0.032 0.000 1.423 306 G CA -0.055 45.056 45.100 0.019 0.000 1.055 306 G HN 0.496 nan 8.290 nan 0.000 0.536 307 T N -0.406 114.175 114.554 0.044 0.000 2.720 307 T HA -0.149 4.195 4.350 -0.009 0.000 0.268 307 T C 2.553 177.265 174.700 0.020 0.000 1.037 307 T CA 1.411 63.540 62.100 0.050 0.000 1.144 307 T CB -0.250 68.648 68.868 0.049 0.000 0.864 307 T HN 0.130 nan 8.240 nan 0.000 0.444 308 V N 1.338 121.260 119.914 0.013 0.000 2.261 308 V HA -0.102 4.012 4.120 -0.009 0.000 0.246 308 V C 2.889 178.973 176.094 -0.017 0.000 1.047 308 V CA 2.112 64.414 62.300 0.004 0.000 1.015 308 V CB -1.314 30.516 31.823 0.012 0.000 0.642 308 V HN 0.592 nan 8.190 nan 0.000 0.446 309 G N -1.091 107.695 108.800 -0.023 0.000 2.443 309 G HA2 -0.183 3.772 3.960 -0.009 0.000 0.219 309 G HA3 -0.183 3.772 3.960 -0.009 0.000 0.219 309 G C 1.670 176.517 174.900 -0.088 0.000 1.131 309 G CA 1.351 46.416 45.100 -0.059 0.000 0.775 309 G HN 0.473 nan 8.290 nan 0.000 0.547 310 T N 0.272 114.795 114.554 -0.052 0.000 2.737 310 T HA -0.100 4.245 4.350 -0.009 0.000 0.265 310 T C 2.365 177.007 174.700 -0.096 0.000 1.038 310 T CA 1.161 63.229 62.100 -0.052 0.000 1.144 310 T CB -0.304 68.585 68.868 0.035 0.000 0.866 310 T HN 0.051 nan 8.240 nan 0.000 0.434 311 V N 1.402 121.276 119.914 -0.067 0.000 2.515 311 V HA -0.049 4.066 4.120 -0.009 0.000 0.250 311 V C 2.605 178.674 176.094 -0.042 0.000 1.058 311 V CA 1.714 63.965 62.300 -0.082 0.000 1.064 311 V CB -0.943 30.869 31.823 -0.018 0.000 0.675 311 V HN 0.501 nan 8.190 nan 0.000 0.461 312 A N -0.557 122.231 122.820 -0.053 0.000 1.883 312 A HA -0.199 4.116 4.320 -0.009 0.000 0.217 312 A C 2.458 179.882 177.584 -0.267 0.000 1.186 312 A CA 2.461 54.448 52.037 -0.084 0.000 0.624 312 A CB -0.898 18.035 19.000 -0.113 0.000 0.822 312 A HN 0.589 nan 8.150 nan 0.000 0.444 313 S N -0.234 115.207 115.700 -0.432 0.000 2.356 313 S HA -0.118 4.347 4.470 -0.009 0.000 0.223 313 S C 1.774 175.684 174.600 -1.149 0.000 1.032 313 S CA 1.413 59.042 58.200 -0.951 0.000 1.005 313 S CB -0.419 62.307 63.200 -0.790 0.000 0.867 313 S HN 0.341 nan 8.310 nan 0.000 0.449 314 L N 1.801 122.666 121.223 -0.598 0.000 2.043 314 L HA -0.140 4.195 4.340 -0.009 0.000 0.212 314 L C 2.294 178.990 176.870 -0.291 0.000 1.075 314 L CA 1.735 56.359 54.840 -0.360 0.000 0.752 314 L CB -1.330 40.568 42.059 -0.268 0.000 0.891 314 L HN 0.421 nan 8.230 nan 0.000 0.432 315 H N -1.160 117.779 119.070 -0.219 0.000 2.387 315 H HA -0.064 4.487 4.556 -0.009 0.000 0.299 315 H C 2.065 177.325 175.328 -0.114 0.000 1.090 315 H CA 1.496 57.463 56.048 -0.135 0.000 1.332 315 H CB 0.015 29.700 29.762 -0.129 0.000 1.386 315 H HN 0.369 nan 8.280 nan 0.000 0.516 316 A N 0.716 123.466 122.820 -0.117 0.000 1.873 316 A HA -0.146 4.169 4.320 -0.009 0.000 0.215 316 A C 2.399 180.107 177.584 0.207 0.000 1.186 316 A CA 0.952 52.956 52.037 -0.054 0.000 0.616 316 A CB -1.268 17.572 19.000 -0.267 0.000 0.823 316 A HN 0.515 nan 8.150 nan 0.000 0.442 317 W N 1.007 122.301 121.300 -0.010 0.000 2.350 317 W HA -0.207 4.447 4.660 -0.009 0.000 0.289 317 W C 2.795 179.302 176.519 -0.019 0.000 1.215 317 W CA 0.880 58.213 57.345 -0.020 0.000 1.236 317 W CB -0.236 29.197 29.460 -0.045 0.000 1.130 317 W HN 0.543 nan 8.180 nan 0.000 0.541 318 S N 0.112 115.927 115.700 0.193 0.000 2.419 318 S HA -0.216 4.249 4.470 -0.009 0.000 0.233 318 S C 1.621 176.274 174.600 0.089 0.000 1.016 318 S CA 1.696 59.953 58.200 0.096 0.000 0.974 318 S CB -1.103 62.111 63.200 0.023 0.000 0.786 318 S HN 0.317 nan 8.310 nan 0.000 0.492 319 T N -0.712 113.908 114.554 0.110 0.000 3.100 319 T HA 0.405 4.750 4.350 -0.009 0.000 0.253 319 T C 0.406 175.158 174.700 0.086 0.000 1.118 319 T CA -0.252 61.900 62.100 0.087 0.000 1.058 319 T CB -0.484 68.435 68.868 0.085 0.000 0.953 319 T HN 0.371 nan 8.240 nan 0.000 0.515 320 L N 0.711 121.999 121.223 0.107 0.000 2.323 320 L HA 0.587 4.922 4.340 -0.009 0.000 0.265 320 L C -2.818 174.079 176.870 0.046 0.000 1.012 320 L CA -3.047 51.841 54.840 0.080 0.000 0.820 320 L CB 1.993 44.113 42.059 0.101 0.000 1.334 320 L HN -0.223 nan 8.230 nan 0.000 0.427 321 P HA 0.295 nan 4.420 nan 0.000 0.287 321 P C -1.187 176.107 177.300 -0.010 0.000 1.307 321 P CA -0.215 62.885 63.100 0.001 0.000 0.777 321 P CB 0.609 32.306 31.700 -0.006 0.000 0.883 322 L N 3.302 124.512 121.223 -0.022 0.000 2.335 322 L HA 0.299 4.634 4.340 -0.009 0.000 0.268 322 L C 1.803 178.647 176.870 -0.043 0.000 1.037 322 L CA 0.181 55.005 54.840 -0.026 0.000 0.895 322 L CB 0.764 42.786 42.059 -0.062 0.000 1.266 322 L HN 0.359 nan 8.230 nan 0.000 0.439 323 Q N 2.028 121.776 119.800 -0.087 0.000 2.112 323 Q HA -0.204 4.131 4.340 -0.009 0.000 0.206 323 Q C 0.706 176.445 176.000 -0.436 0.000 0.987 323 Q CA 2.247 57.867 55.803 -0.305 0.000 0.858 323 Q CB 0.053 28.533 28.738 -0.431 0.000 0.905 323 Q HN 0.725 nan 8.270 nan 0.000 0.420 324 W N 0.224 121.558 121.300 0.056 0.000 3.353 324 W HA 0.334 4.989 4.660 -0.008 0.000 0.304 324 W C 1.052 177.703 176.519 0.220 0.000 1.273 324 W CA 0.308 57.723 57.345 0.117 0.000 1.773 324 W CB 0.098 29.612 29.460 0.090 0.000 1.095 324 W HN 0.442 nan 8.180 nan 0.000 0.676 325 G N 0.956 109.886 108.800 0.217 0.000 2.598 325 G HA2 -0.133 3.822 3.960 -0.009 0.000 0.244 325 G HA3 -0.133 3.822 3.960 -0.009 0.000 0.244 325 G C -0.026 174.868 174.900 -0.010 0.000 1.302 325 G CA 0.140 45.313 45.100 0.123 0.000 0.903 325 G HN 0.409 nan 8.290 nan 0.000 0.575 326 T N -2.709 111.814 114.554 -0.052 0.000 2.883 326 T HA 0.723 5.068 4.350 -0.009 0.000 0.296 326 T C 0.079 174.729 174.700 -0.082 0.000 1.117 326 T CA 0.444 62.385 62.100 -0.266 0.000 1.006 326 T CB 2.082 70.905 68.868 -0.075 0.000 1.191 326 T HN 1.497 nan 8.240 nan 0.000 0.508 327 E N 1.343 121.444 120.200 -0.164 0.000 2.989 327 E HA 0.244 4.589 4.350 -0.009 0.000 0.207 327 E C -0.032 176.476 176.600 -0.154 0.000 0.989 327 E CA -0.795 55.640 56.400 0.059 0.000 1.186 327 E CB 0.137 29.890 29.700 0.087 0.000 1.141 327 E HN 0.365 nan 8.360 nan 0.000 0.454 328 M N 1.823 121.442 119.600 0.031 0.000 3.706 328 M HA 0.180 4.655 4.480 -0.009 0.000 0.204 328 M C -0.279 176.120 176.300 0.166 0.000 1.455 328 M CA -0.220 55.103 55.300 0.039 0.000 1.659 328 M CB -1.552 31.151 32.600 0.171 0.000 1.076 328 M HN 0.363 nan 8.290 nan 0.000 0.577 329 F N -2.555 117.467 119.950 0.119 0.000 2.653 329 F HA 0.511 5.033 4.527 -0.009 0.000 0.304 329 F C 1.414 177.209 175.800 -0.008 0.000 1.092 329 F CA -0.698 57.308 58.000 0.011 0.000 1.279 329 F CB -1.133 37.934 39.000 0.111 0.000 1.044 329 F HN 0.284 nan 8.300 nan 0.000 0.564 330 G N 2.785 111.487 108.800 -0.163 0.000 2.513 330 G HA2 -0.254 3.701 3.960 -0.009 0.000 0.219 330 G HA3 -0.254 3.701 3.960 -0.009 0.000 0.219 330 G C -0.338 174.601 174.900 0.066 0.000 1.160 330 G CA 1.224 46.288 45.100 -0.060 0.000 0.767 330 G HN 0.367 nan 8.290 nan 0.000 0.571 331 P HA -0.027 nan 4.420 nan 0.000 0.220 331 P C 1.839 179.182 177.300 0.073 0.000 1.148 331 P CA 0.706 63.872 63.100 0.110 0.000 0.803 331 P CB -0.154 31.679 31.700 0.223 0.000 0.782 332 L N -1.217 120.013 121.223 0.012 0.000 2.551 332 L HA -0.007 4.328 4.340 -0.009 0.000 0.228 332 L C 2.265 179.218 176.870 0.140 0.000 1.153 332 L CA 0.617 55.459 54.840 0.004 0.000 0.851 332 L CB -0.600 41.407 42.059 -0.086 0.000 0.959 332 L HN -0.053 nan 8.230 nan 0.000 0.451 333 L N -0.573 120.752 121.223 0.171 0.000 2.585 333 L HA 0.157 4.492 4.340 -0.009 0.000 0.226 333 L C 0.533 177.456 176.870 0.088 0.000 1.113 333 L CA -0.046 54.892 54.840 0.163 0.000 0.876 333 L CB 0.106 42.264 42.059 0.164 0.000 1.072 333 L HN 0.154 nan 8.230 nan 0.000 0.468 334 L N 0.060 121.320 121.223 0.062 0.000 2.325 334 L HA 0.285 4.620 4.340 -0.009 0.000 0.279 334 L C 1.088 177.971 176.870 0.021 0.000 1.054 334 L CA -0.582 54.272 54.840 0.023 0.000 0.804 334 L CB 1.214 43.273 42.059 -0.001 0.000 1.200 334 L HN -0.063 nan 8.230 nan 0.000 0.436 335 K N 0.578 120.982 120.400 0.007 0.000 2.365 335 K HA 0.119 4.434 4.320 -0.009 0.000 0.197 335 K C -0.268 176.343 176.600 0.018 0.000 1.042 335 K CA 0.569 56.869 56.287 0.022 0.000 0.987 335 K CB 0.019 32.541 32.500 0.036 0.000 0.779 335 K HN 0.571 nan 8.250 nan 0.000 0.484 336 D N -0.624 119.758 120.400 -0.030 0.000 2.648 336 D HA 0.238 4.873 4.640 -0.009 0.000 0.244 336 D C -1.768 174.465 176.300 -0.112 0.000 1.244 336 D CA -0.464 53.516 54.000 -0.035 0.000 0.772 336 D CB 1.752 42.564 40.800 0.020 0.000 1.379 336 D HN -0.222 nan 8.370 nan 0.000 0.428 337 D N -0.004 120.368 120.400 -0.047 0.000 2.592 337 D HA 0.352 4.987 4.640 -0.009 0.000 0.263 337 D C 0.322 176.627 176.300 0.009 0.000 1.132 337 D CA -0.466 53.507 54.000 -0.045 0.000 0.996 337 D CB 1.526 42.327 40.800 0.002 0.000 1.442 337 D HN 0.303 nan 8.370 nan 0.000 0.486 338 I N -0.444 120.132 120.570 0.010 0.000 3.884 338 I HA 0.221 4.386 4.170 -0.009 0.000 0.330 338 I C 0.291 176.407 176.117 -0.002 0.000 1.451 338 I CA -0.510 60.806 61.300 0.027 0.000 1.165 338 I CB -0.300 37.701 38.000 0.001 0.000 1.097 338 I HN 0.099 nan 8.210 nan 0.000 0.404 339 V N -1.647 118.272 119.914 0.008 0.000 2.850 339 V HA 0.665 4.779 4.120 -0.009 0.000 0.315 339 V C 1.397 177.494 176.094 0.006 0.000 1.064 339 V CA 0.104 62.406 62.300 0.002 0.000 0.979 339 V CB 1.314 33.143 31.823 0.010 0.000 1.039 339 V HN 0.308 nan 8.190 nan 0.000 0.452 340 S N 1.998 117.697 115.700 -0.002 0.000 2.371 340 S HA 0.080 4.545 4.470 -0.009 0.000 0.224 340 S C 0.616 175.219 174.600 0.005 0.000 1.029 340 S CA 0.899 59.099 58.200 -0.001 0.000 0.978 340 S CB -0.227 62.969 63.200 -0.007 0.000 0.833 340 S HN 0.962 nan 8.310 nan 0.000 0.466 341 V N 3.959 123.877 119.914 0.007 0.000 2.577 341 V HA 0.529 4.644 4.120 -0.009 0.000 0.303 341 V C -2.341 173.762 176.094 0.015 0.000 1.042 341 V CA -1.907 60.399 62.300 0.010 0.000 0.872 341 V CB 1.962 33.787 31.823 0.003 0.000 0.998 341 V HN 0.330 nan 8.190 nan 0.000 0.423 342 P HA 0.450 nan 4.420 nan 0.000 0.279 342 P C -0.670 176.641 177.300 0.019 0.000 1.276 342 P CA -0.552 62.575 63.100 0.045 0.000 0.801 342 P CB 1.295 33.043 31.700 0.081 0.000 1.127 343 L N 0.295 121.522 121.223 0.006 0.000 2.436 343 L HA 0.251 4.586 4.340 -0.009 0.000 0.265 343 L C 1.122 177.912 176.870 -0.134 0.000 1.168 343 L CA -0.290 54.471 54.840 -0.131 0.000 0.815 343 L CB 0.219 42.098 42.059 -0.300 0.000 1.109 343 L HN 0.462 nan 8.230 nan 0.000 0.462 344 T N -0.959 113.478 114.554 -0.196 0.000 2.733 344 T HA 0.495 4.840 4.350 -0.009 0.000 0.294 344 T C -0.567 174.015 174.700 -0.196 0.000 0.956 344 T CA -0.471 61.567 62.100 -0.104 0.000 0.987 344 T CB -0.024 68.806 68.868 -0.063 0.000 0.920 344 T HN 0.139 nan 8.240 nan 0.000 0.470 345 F N 2.267 122.224 119.950 0.013 0.000 2.421 345 F HA 0.720 5.242 4.527 -0.009 0.000 0.337 345 F C 0.591 176.393 175.800 0.003 0.000 1.105 345 F CA -0.473 57.538 58.000 0.018 0.000 1.049 345 F CB 1.770 40.791 39.000 0.035 0.000 1.139 345 F HN 1.003 nan 8.300 nan 0.000 0.479 346 A N 2.291 125.217 122.820 0.176 0.000 2.583 346 A HA 0.449 4.764 4.320 -0.009 0.000 0.298 346 A C -0.563 177.060 177.584 0.066 0.000 1.055 346 A CA -0.753 51.339 52.037 0.092 0.000 0.714 346 A CB 0.877 19.907 19.000 0.049 0.000 1.277 346 A HN 0.797 nan 8.150 nan 0.000 0.406 347 D N 0.959 121.384 120.400 0.041 0.000 2.689 347 D HA -0.161 4.473 4.640 -0.009 0.000 0.237 347 D C 1.165 177.485 176.300 0.033 0.000 1.148 347 D CA 2.643 56.658 54.000 0.025 0.000 0.656 347 D CB -0.914 39.896 40.800 0.017 0.000 1.050 347 D HN 2.432 nan 8.370 nan 0.000 0.426 348 G N 0.143 108.971 108.800 0.047 0.000 2.187 348 G HA2 -0.333 3.622 3.960 -0.009 0.000 0.261 348 G HA3 -0.333 3.622 3.960 -0.009 0.000 0.261 348 G C 0.237 175.198 174.900 0.100 0.000 1.000 348 G CA 1.260 46.395 45.100 0.058 0.000 0.718 348 G HN 0.582 nan 8.290 nan 0.000 0.519 349 Q N -1.946 117.927 119.800 0.121 0.000 2.605 349 Q HA 0.771 5.106 4.340 -0.009 0.000 0.296 349 Q C -1.090 174.977 176.000 0.112 0.000 1.056 349 Q CA -0.921 54.946 55.803 0.106 0.000 0.778 349 Q CB 3.076 31.839 28.738 0.042 0.000 1.497 349 Q HN 0.495 nan 8.270 nan 0.000 0.443 350 V N 0.089 119.999 119.914 -0.006 0.000 2.709 350 V HA 0.800 4.915 4.120 -0.009 0.000 0.308 350 V C -1.469 174.501 176.094 -0.207 0.000 1.062 350 V CA -0.477 61.670 62.300 -0.255 0.000 0.901 350 V CB 1.749 33.294 31.823 -0.462 0.000 1.003 350 V HN 0.876 nan 8.190 nan 0.000 0.425 351 A N 5.986 128.664 122.820 -0.237 0.000 2.328 351 A HA 0.686 5.000 4.320 -0.009 0.000 0.284 351 A C -0.669 176.801 177.584 -0.191 0.000 1.160 351 A CA -0.318 51.621 52.037 -0.163 0.000 0.818 351 A CB 0.693 19.619 19.000 -0.125 0.000 1.087 351 A HN 1.128 nan 8.150 nan 0.000 0.504 352 L N 5.746 126.871 121.223 -0.163 0.000 2.265 352 L HA 0.462 4.797 4.340 -0.009 0.000 0.288 352 L C -1.967 174.814 176.870 -0.149 0.000 1.058 352 L CA -1.644 53.068 54.840 -0.214 0.000 0.809 352 L CB 0.829 42.748 42.059 -0.233 0.000 1.179 352 L HN 0.483 nan 8.230 nan 0.000 0.429 353 P HA 0.076 nan 4.420 nan 0.000 0.271 353 P C -0.975 176.353 177.300 0.047 0.000 1.218 353 P CA -0.157 62.927 63.100 -0.026 0.000 0.780 353 P CB 0.772 32.477 31.700 0.008 0.000 0.901 354 Q N 0.307 120.131 119.800 0.039 0.000 2.141 354 Q HA 0.141 4.476 4.340 -0.009 0.000 0.248 354 Q C 0.488 176.510 176.000 0.037 0.000 0.834 354 Q CA 0.059 55.896 55.803 0.056 0.000 1.096 354 Q CB 0.400 29.153 28.738 0.026 0.000 1.189 354 Q HN 0.587 nan 8.270 nan 0.000 0.471 355 T N -2.287 112.287 114.554 0.034 0.000 2.862 355 T HA 0.543 4.887 4.350 -0.009 0.000 0.276 355 T C -2.559 172.141 174.700 -0.001 0.000 0.974 355 T CA -2.107 60.000 62.100 0.012 0.000 0.966 355 T CB 1.028 69.900 68.868 0.007 0.000 1.072 355 T HN -0.162 nan 8.240 nan 0.000 0.538 356 P HA 0.359 nan 4.420 nan 0.000 0.265 356 P C 0.952 178.220 177.300 -0.052 0.000 1.193 356 P CA 1.484 64.565 63.100 -0.032 0.000 0.765 356 P CB -0.062 31.623 31.700 -0.024 0.000 0.823 357 G N 2.056 110.800 108.800 -0.092 0.000 2.525 357 G HA2 -0.296 3.659 3.960 -0.009 0.000 0.248 357 G HA3 -0.296 3.659 3.960 -0.009 0.000 0.248 357 G C 0.735 175.504 174.900 -0.217 0.000 1.238 357 G CA -0.041 44.981 45.100 -0.131 0.000 0.926 357 G HN 0.445 nan 8.290 nan 0.000 0.574 358 L N 1.451 122.575 121.223 -0.165 0.000 2.201 358 L HA 0.274 4.609 4.340 -0.009 0.000 0.212 358 L C 2.597 179.513 176.870 0.077 0.000 1.105 358 L CA 1.639 56.404 54.840 -0.124 0.000 0.775 358 L CB -0.622 41.414 42.059 -0.038 0.000 0.913 358 L HN 2.216 nan 8.230 nan 0.000 0.440 359 G N 0.184 108.998 108.800 0.023 0.000 2.141 359 G HA2 -0.214 3.740 3.960 -0.009 0.000 0.231 359 G HA3 -0.214 3.740 3.960 -0.009 0.000 0.231 359 G C 0.113 175.029 174.900 0.026 0.000 0.984 359 G CA 0.065 45.192 45.100 0.044 0.000 0.660 359 G HN 0.289 nan 8.290 nan 0.000 0.525 360 V N -2.932 116.992 119.914 0.017 0.000 2.962 360 V HA 0.969 5.083 4.120 -0.009 0.000 0.313 360 V C -0.564 175.531 176.094 0.002 0.000 1.099 360 V CA -1.210 61.095 62.300 0.009 0.000 0.971 360 V CB 2.168 33.997 31.823 0.011 0.000 1.028 360 V HN 0.376 nan 8.190 nan 0.000 0.430 361 E N 1.582 121.782 120.200 -0.001 0.000 2.288 361 E HA 0.661 5.005 4.350 -0.009 0.000 0.268 361 E C -1.353 175.240 176.600 -0.013 0.000 0.885 361 E CA -0.836 55.560 56.400 -0.006 0.000 0.767 361 E CB 1.977 31.673 29.700 -0.006 0.000 1.220 361 E HN 0.894 nan 8.360 nan 0.000 0.427 362 L N 3.239 124.449 121.223 -0.022 0.000 2.367 362 L HA 0.238 4.572 4.340 -0.009 0.000 0.275 362 L C -0.513 176.319 176.870 -0.063 0.000 1.129 362 L CA 0.376 55.186 54.840 -0.049 0.000 0.839 362 L CB 0.743 42.761 42.059 -0.068 0.000 1.133 362 L HN 0.476 nan 8.230 nan 0.000 0.453 363 D N 4.232 124.592 120.400 -0.067 0.000 2.411 363 D HA 0.053 4.687 4.640 -0.009 0.000 0.225 363 D C 0.791 177.019 176.300 -0.120 0.000 1.156 363 D CA 0.007 53.970 54.000 -0.061 0.000 0.874 363 D CB 0.762 41.545 40.800 -0.027 0.000 1.034 363 D HN 0.661 nan 8.370 nan 0.000 0.502 364 E N 2.182 122.301 120.200 -0.134 0.000 2.118 364 E HA -0.177 4.168 4.350 -0.009 0.000 0.195 364 E C 0.780 177.267 176.600 -0.188 0.000 0.992 364 E CA 0.948 57.209 56.400 -0.231 0.000 0.804 364 E CB 0.364 30.004 29.700 -0.100 0.000 0.741 364 E HN 0.552 nan 8.360 nan 0.000 0.458 365 D N 0.736 121.105 120.400 -0.052 0.000 2.097 365 D HA -0.124 4.511 4.640 -0.009 0.000 0.195 365 D C 1.782 178.077 176.300 -0.009 0.000 0.989 365 D CA 1.085 55.086 54.000 0.002 0.000 0.827 365 D CB -0.081 40.702 40.800 -0.028 0.000 0.966 365 D HN 0.118 nan 8.370 nan 0.000 0.456 366 K N 0.197 120.584 120.400 -0.022 0.000 2.097 366 K HA -0.098 4.217 4.320 -0.009 0.000 0.205 366 K C 2.124 178.792 176.600 0.113 0.000 1.050 366 K CA 0.243 56.580 56.287 0.084 0.000 0.938 366 K CB -0.178 32.424 32.500 0.170 0.000 0.718 366 K HN 0.013 nan 8.250 nan 0.000 0.442 367 L N 1.323 122.483 121.223 -0.105 0.000 1.990 367 L HA -0.231 4.104 4.340 -0.009 0.000 0.213 367 L C 2.182 178.885 176.870 -0.277 0.000 1.072 367 L CA 1.970 56.638 54.840 -0.288 0.000 0.755 367 L CB -0.593 41.060 42.059 -0.676 0.000 0.889 367 L HN 0.266 nan 8.230 nan 0.000 0.432 368 H N -1.607 117.379 119.070 -0.139 0.000 2.423 368 H HA -0.147 4.403 4.556 -0.009 0.000 0.297 368 H C 2.057 177.369 175.328 -0.027 0.000 1.075 368 H CA 1.652 57.641 56.048 -0.098 0.000 1.342 368 H CB -0.560 29.161 29.762 -0.068 0.000 1.395 368 H HN 0.460 nan 8.280 nan 0.000 0.530 369 F N 1.092 120.989 119.950 -0.088 0.000 2.102 369 F HA -0.231 4.292 4.527 -0.007 0.000 0.298 369 F C 1.569 177.204 175.800 -0.275 0.000 1.105 369 F CA 1.265 59.118 58.000 -0.245 0.000 1.239 369 F CB -0.435 38.289 39.000 -0.461 0.000 0.991 369 F HN -0.021 nan 8.300 nan 0.000 0.474 370 Y N 0.077 120.376 120.300 -0.002 0.000 2.490 370 Y HA 0.166 4.710 4.550 -0.009 0.000 0.281 370 Y C 1.071 176.936 175.900 -0.057 0.000 1.174 370 Y CA -0.060 57.988 58.100 -0.086 0.000 1.295 370 Y CB -1.197 37.280 38.460 0.028 0.000 1.062 370 Y HN -0.240 nan 8.280 nan 0.000 0.522 371 T N 1.110 115.708 114.554 0.073 0.000 2.928 371 T HA -0.012 4.333 4.350 -0.009 0.000 0.305 371 T C 1.521 176.268 174.700 0.079 0.000 1.035 371 T CA -0.134 62.027 62.100 0.101 0.000 1.145 371 T CB 1.038 69.983 68.868 0.128 0.000 0.963 371 T HN 0.361 nan 8.240 nan 0.000 0.545 372 R N 1.612 122.174 120.500 0.102 0.000 2.062 372 R HA -0.056 4.279 4.340 -0.009 0.000 0.231 372 R C 1.274 177.610 176.300 0.059 0.000 1.136 372 R CA 1.113 57.254 56.100 0.069 0.000 0.948 372 R CB 0.019 30.365 30.300 0.076 0.000 0.845 372 R HN 0.572 nan 8.270 nan 0.000 0.430 373 Q N 0.000 119.852 119.800 0.087 0.000 2.315 373 Q HA 0.000 4.335 4.340 -0.009 0.000 0.214 373 Q CA 0.000 55.846 55.803 0.072 0.000 1.022 373 Q CB 0.000 28.787 28.738 0.082 0.000 1.108 373 Q HN 0.000 nan 8.270 nan 0.000 0.481