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 1wog_1_B DATA FIRST_RESID 3 DATA SEQUENCE GPAHLPYGGI PTFARAPLVQ PDGDWQADVA ALGVPFDIAL GFRPGARFAP DATA SEQUENCE RALREASLRS VPPFTGLDGK TRLQGVTFAD AGDVILPSLE PQLAHDRITE DATA SEQUENCE AARQVRGRCR VPVFLGGDHS VSYPLLRAFA DVPDLHVVQL DAHLDFTDTR DATA SEQUENCE NDTKWSNSSP FRRACEALPN LVHITTVGLR GLRFDPEAVA AARARGHTII DATA SEQUENCE PMDDVTADLA GVLAQLPRGQ NVYFSVDVDG FDPAVIPGTS SPEPDGLTYA DATA SEQUENCE QGMKILAAAA ANNTVVGLDL VELAPNLDPT GRSELLMARL VMETLCEVFD DATA SEQUENCE HVL 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.956 3.960 -0.007 0.000 0.244 3 G C 0.000 174.851 174.900 -0.081 0.000 0.946 3 G CA 0.000 45.061 45.100 -0.066 0.000 0.502 4 P HA 0.696 nan 4.420 nan 0.000 0.274 4 P C -0.626 176.580 177.300 -0.156 0.000 1.231 4 P CA 0.070 63.102 63.100 -0.114 0.000 0.790 4 P CB 1.442 33.073 31.700 -0.114 0.000 0.951 5 A N 1.459 124.189 122.820 -0.150 0.000 2.355 5 A HA 0.448 4.764 4.320 -0.007 0.000 0.324 5 A C -0.024 177.460 177.584 -0.167 0.000 1.117 5 A CA -0.728 51.212 52.037 -0.162 0.000 0.785 5 A CB 0.617 19.548 19.000 -0.115 0.000 1.254 5 A HN 0.707 nan 8.150 nan 0.000 0.453 6 H N 1.202 120.196 119.070 -0.128 0.000 2.871 6 H HA 0.145 4.697 4.556 -0.007 0.000 0.355 6 H C 0.193 175.383 175.328 -0.230 0.000 1.092 6 H CA 0.334 56.280 56.048 -0.171 0.000 1.420 6 H CB 0.623 30.291 29.762 -0.157 0.000 1.400 6 H HN 0.362 nan 8.280 nan 0.000 0.604 7 L N 3.666 124.766 121.223 -0.205 0.000 2.468 7 L HA 0.102 4.438 4.340 -0.007 0.000 0.254 7 L C -0.919 175.707 176.870 -0.405 0.000 1.171 7 L CA -1.674 52.936 54.840 -0.383 0.000 0.809 7 L CB 0.087 41.710 42.059 -0.727 0.000 1.155 7 L HN 0.420 nan 8.230 nan 0.000 0.473 8 P HA -0.198 nan 4.420 nan 0.000 0.217 8 P C 0.970 178.199 177.300 -0.119 0.000 1.151 8 P CA 1.701 64.712 63.100 -0.148 0.000 0.849 8 P CB -0.021 31.655 31.700 -0.039 0.000 0.787 9 Y N -2.562 117.714 120.300 -0.040 0.000 2.529 9 Y HA 0.450 4.998 4.550 -0.004 0.000 0.290 9 Y C 1.022 176.868 175.900 -0.090 0.000 1.177 9 Y CA -0.639 57.428 58.100 -0.054 0.000 1.305 9 Y CB -0.836 37.602 38.460 -0.037 0.000 1.047 9 Y HN -0.253 nan 8.280 nan 0.000 0.522 10 G N -0.210 108.414 108.800 -0.293 0.000 2.417 10 G HA2 0.556 4.512 3.960 -0.007 0.000 0.334 10 G HA3 0.556 4.512 3.960 -0.007 0.000 0.334 10 G C -0.104 174.413 174.900 -0.639 0.000 1.150 10 G CA -0.328 44.540 45.100 -0.387 0.000 0.923 10 G HN 0.810 nan 8.290 nan 0.000 0.485 11 G N -0.338 107.995 108.800 -0.778 0.000 2.746 11 G HA2 0.011 3.967 3.960 -0.007 0.000 0.685 11 G HA3 0.011 3.967 3.960 -0.007 0.000 0.685 11 G C -0.334 174.427 174.900 -0.231 0.000 1.350 11 G CA -0.635 44.120 45.100 -0.575 0.000 0.837 11 G HN 0.808 nan 8.290 nan 0.000 0.564 12 I N 2.128 122.618 120.570 -0.133 0.000 2.471 12 I HA 0.242 4.408 4.170 -0.007 0.000 0.286 12 I C -1.265 174.818 176.117 -0.057 0.000 1.079 12 I CA -2.104 59.155 61.300 -0.068 0.000 1.398 12 I CB 0.585 38.563 38.000 -0.036 0.000 1.403 12 I HN 0.353 nan 8.210 nan 0.000 0.530 13 P HA 0.147 nan 4.420 nan 0.000 0.273 13 P C -0.436 176.872 177.300 0.014 0.000 1.428 13 P CA -0.133 62.957 63.100 -0.018 0.000 0.995 13 P CB -0.043 31.656 31.700 -0.001 0.000 1.286 14 T N 0.188 114.747 114.554 0.007 0.000 2.912 14 T HA 0.425 4.770 4.350 -0.007 0.000 0.288 14 T C -0.182 174.561 174.700 0.071 0.000 1.030 14 T CA -0.951 61.178 62.100 0.049 0.000 1.020 14 T CB 0.966 69.847 68.868 0.021 0.000 1.056 14 T HN 0.064 nan 8.240 nan 0.000 0.480 15 F N 2.679 122.632 119.950 0.005 0.000 2.602 15 F HA 0.334 4.860 4.527 -0.003 0.000 0.385 15 F C 1.426 177.219 175.800 -0.011 0.000 1.063 15 F CA 0.603 58.615 58.000 0.021 0.000 1.233 15 F CB -0.539 38.499 39.000 0.064 0.000 1.067 15 F HN 1.184 nan 8.300 nan 0.000 0.564 16 A N 4.490 126.895 122.820 -0.692 0.000 2.829 16 A HA -0.340 3.976 4.320 -0.007 0.000 0.267 16 A C 1.558 178.933 177.584 -0.348 0.000 1.370 16 A CA 1.366 53.045 52.037 -0.596 0.000 0.900 16 A CB -2.214 16.341 19.000 -0.741 0.000 1.044 16 A HN 1.082 nan 8.150 nan 0.000 0.691 17 R N -3.856 116.517 120.500 -0.211 0.000 3.641 17 R HA -0.202 4.134 4.340 -0.007 0.000 0.286 17 R C 0.400 176.640 176.300 -0.099 0.000 1.153 17 R CA 1.152 57.172 56.100 -0.133 0.000 0.775 17 R CB -2.150 28.063 30.300 -0.145 0.000 1.215 17 R HN 2.171 nan 8.270 nan 0.000 0.474 18 A N 1.069 123.853 122.820 -0.059 0.000 2.287 18 A HA 0.581 4.897 4.320 -0.007 0.000 0.273 18 A C -1.977 175.599 177.584 -0.014 0.000 1.091 18 A CA -1.015 51.019 52.037 -0.005 0.000 0.817 18 A CB 0.216 19.280 19.000 0.108 0.000 1.069 18 A HN 0.208 nan 8.150 nan 0.000 0.492 19 P HA 0.201 nan 4.420 nan 0.000 0.271 19 P C -0.717 176.528 177.300 -0.093 0.000 1.216 19 P CA -0.231 62.840 63.100 -0.048 0.000 0.776 19 P CB 0.599 32.275 31.700 -0.040 0.000 0.881 20 L N 4.838 126.010 121.223 -0.085 0.000 2.349 20 L HA 0.359 4.695 4.340 -0.007 0.000 0.275 20 L C -0.095 176.671 176.870 -0.173 0.000 1.115 20 L CA -0.115 54.659 54.840 -0.110 0.000 0.820 20 L CB 0.675 42.700 42.059 -0.058 0.000 1.135 20 L HN 0.345 nan 8.230 nan 0.000 0.445 21 V N 1.878 121.630 119.914 -0.269 0.000 3.182 21 V HA 0.668 4.784 4.120 -0.007 0.000 0.308 21 V C -1.044 174.929 176.094 -0.201 0.000 1.240 21 V CA -0.988 61.103 62.300 -0.348 0.000 1.063 21 V CB 1.997 33.257 31.823 -0.939 0.000 1.076 21 V HN 0.707 nan 8.190 nan 0.000 0.446 22 Q N 0.835 120.607 119.800 -0.047 0.000 2.245 22 Q HA 0.472 4.808 4.340 -0.007 0.000 0.256 22 Q C -2.167 174.008 176.000 0.292 0.000 0.942 22 Q CA -2.182 53.680 55.803 0.098 0.000 0.896 22 Q CB 1.702 30.510 28.738 0.117 0.000 1.272 22 Q HN 0.517 nan 8.270 nan 0.000 0.442 23 P HA -0.197 nan 4.420 nan 0.000 0.216 23 P C 0.428 177.913 177.300 0.309 0.000 1.157 23 P CA 1.644 64.936 63.100 0.320 0.000 0.880 23 P CB 0.262 32.073 31.700 0.184 0.000 0.791 24 D N -1.523 118.997 120.400 0.200 0.000 2.491 24 D HA 0.115 4.751 4.640 -0.007 0.000 0.228 24 D C 0.825 177.203 176.300 0.129 0.000 1.183 24 D CA -0.208 53.861 54.000 0.114 0.000 0.827 24 D CB -0.456 40.383 40.800 0.063 0.000 0.989 24 D HN -0.000 nan 8.370 nan 0.000 0.494 25 G N 0.061 109.026 108.800 0.275 0.000 2.543 25 G HA2 0.206 4.162 3.960 -0.007 0.000 0.290 25 G HA3 0.206 4.162 3.960 -0.007 0.000 0.290 25 G C -0.688 174.330 174.900 0.197 0.000 1.310 25 G CA -0.648 44.626 45.100 0.289 0.000 1.025 25 G HN 0.128 nan 8.290 nan 0.000 0.502 26 D N 0.613 121.137 120.400 0.206 0.000 2.500 26 D HA 0.351 4.987 4.640 -0.007 0.000 0.219 26 D C -0.037 176.383 176.300 0.201 0.000 1.137 26 D CA -0.578 53.477 54.000 0.092 0.000 0.946 26 D CB 0.021 40.864 40.800 0.072 0.000 1.022 26 D HN 0.428 nan 8.370 nan 0.000 0.518 27 W N 1.709 123.017 121.300 0.014 0.000 3.005 27 W HA 0.515 5.171 4.660 -0.007 0.000 0.343 27 W C -1.760 174.767 176.519 0.014 0.000 1.243 27 W CA -0.912 56.443 57.345 0.016 0.000 1.186 27 W CB 0.632 30.105 29.460 0.021 0.000 1.453 27 W HN 0.093 nan 8.180 nan 0.000 0.575 28 Q N 0.980 120.934 119.800 0.257 0.000 2.353 28 Q HA 0.698 5.034 4.340 -0.007 0.000 0.275 28 Q C -1.155 175.032 176.000 0.311 0.000 1.029 28 Q CA -0.584 55.273 55.803 0.090 0.000 0.848 28 Q CB 3.017 31.749 28.738 -0.011 0.000 1.390 28 Q HN 0.718 nan 8.270 nan 0.000 0.401 29 A N 1.020 124.010 122.820 0.284 0.000 2.608 29 A HA 0.398 4.714 4.320 -0.007 0.000 0.292 29 A C -0.608 177.051 177.584 0.126 0.000 1.066 29 A CA -0.590 51.581 52.037 0.223 0.000 0.676 29 A CB 1.172 20.341 19.000 0.281 0.000 1.277 29 A HN 0.742 nan 8.150 nan 0.000 0.413 30 D N -0.346 120.071 120.400 0.028 0.000 2.097 30 D HA 0.003 4.639 4.640 -0.007 0.000 0.197 30 D C 0.502 176.798 176.300 -0.007 0.000 0.984 30 D CA 1.979 55.992 54.000 0.023 0.000 0.826 30 D CB 0.111 40.844 40.800 -0.111 0.000 0.973 30 D HN 0.274 nan 8.370 nan 0.000 0.460 31 V N 0.328 120.082 119.914 -0.267 0.000 2.540 31 V HA 0.654 4.769 4.120 -0.007 0.000 0.302 31 V C -0.359 175.665 176.094 -0.118 0.000 1.035 31 V CA -0.891 61.230 62.300 -0.299 0.000 0.873 31 V CB 1.837 33.132 31.823 -0.880 0.000 0.992 31 V HN 0.143 nan 8.190 nan 0.000 0.428 32 A N 3.454 126.276 122.820 0.004 0.000 2.359 32 A HA 0.932 5.248 4.320 -0.007 0.000 0.303 32 A C -0.234 177.336 177.584 -0.024 0.000 1.066 32 A CA -0.306 51.769 52.037 0.063 0.000 0.730 32 A CB 1.520 20.694 19.000 0.290 0.000 1.211 32 A HN 1.322 nan 8.150 nan 0.000 0.439 33 A N 1.506 124.312 122.820 -0.023 0.000 2.303 33 A HA 0.783 5.099 4.320 -0.007 0.000 0.317 33 A C -0.843 176.718 177.584 -0.037 0.000 1.149 33 A CA -0.394 51.570 52.037 -0.122 0.000 0.822 33 A CB 0.804 19.697 19.000 -0.179 0.000 1.131 33 A HN 1.801 nan 8.150 nan 0.000 0.493 34 L N 1.825 123.047 121.223 -0.001 0.000 2.516 34 L HA 0.692 5.028 4.340 -0.007 0.000 0.267 34 L C 0.134 177.105 176.870 0.169 0.000 0.957 34 L CA 0.143 55.069 54.840 0.143 0.000 0.860 34 L CB 1.750 44.001 42.059 0.319 0.000 1.265 34 L HN 0.842 nan 8.230 nan 0.000 0.403 35 G N 3.204 112.074 108.800 0.116 0.000 2.425 35 G HA2 0.583 4.539 3.960 -0.007 0.000 0.302 35 G HA3 0.583 4.539 3.960 -0.007 0.000 0.302 35 G C -1.231 173.735 174.900 0.111 0.000 1.159 35 G CA -0.480 44.685 45.100 0.108 0.000 0.865 35 G HN 0.542 nan 8.290 nan 0.000 0.515 36 V N 2.981 122.959 119.914 0.107 0.000 2.465 36 V HA 0.249 4.365 4.120 -0.007 0.000 0.263 36 V C -2.088 174.077 176.094 0.118 0.000 0.981 36 V CA -1.161 61.196 62.300 0.095 0.000 0.838 36 V CB 1.808 33.670 31.823 0.066 0.000 1.068 36 V HN 0.719 nan 8.190 nan 0.000 0.458 37 P HA 0.114 nan 4.420 nan 0.000 0.231 37 P C -0.633 176.713 177.300 0.077 0.000 1.756 37 P CA 0.164 63.294 63.100 0.050 0.000 0.990 37 P CB -0.286 31.417 31.700 0.004 0.000 1.973 38 F N 3.308 123.234 119.950 -0.040 0.000 2.427 38 F HA 0.321 4.843 4.527 -0.007 0.000 0.348 38 F C 0.117 175.903 175.800 -0.023 0.000 1.125 38 F CA -0.620 57.362 58.000 -0.031 0.000 0.989 38 F CB 1.597 40.599 39.000 0.003 0.000 1.165 38 F HN -0.058 nan 8.300 nan 0.000 0.442 39 D N 4.495 124.659 120.400 -0.394 0.000 2.594 39 D HA 0.014 4.650 4.640 -0.007 0.000 0.256 39 D C 0.940 177.038 176.300 -0.336 0.000 1.393 39 D CA 0.115 53.968 54.000 -0.245 0.000 0.797 39 D CB -1.015 39.695 40.800 -0.149 0.000 1.110 39 D HN 0.547 nan 8.370 nan 0.000 0.495 40 I N -3.215 116.957 120.570 -0.663 0.000 3.564 40 I HA 0.404 4.570 4.170 -0.007 0.000 0.294 40 I C 1.566 177.564 176.117 -0.198 0.000 1.289 40 I CA 0.251 61.303 61.300 -0.413 0.000 1.325 40 I CB 0.161 37.890 38.000 -0.451 0.000 1.039 40 I HN 0.026 nan 8.210 nan 0.000 0.474 41 A N 1.623 124.389 122.820 -0.089 0.000 2.169 41 A HA 0.344 4.660 4.320 -0.007 0.000 0.210 41 A C 1.135 178.783 177.584 0.106 0.000 1.168 41 A CA -0.138 51.983 52.037 0.139 0.000 0.813 41 A CB -0.385 18.849 19.000 0.389 0.000 0.861 41 A HN 0.507 nan 8.150 nan 0.000 0.481 42 L N -3.041 118.223 121.223 0.068 0.000 2.464 42 L HA 0.655 4.991 4.340 -0.007 0.000 0.264 42 L C 0.883 177.795 176.870 0.070 0.000 1.199 42 L CA 0.645 55.529 54.840 0.073 0.000 0.818 42 L CB 0.130 42.229 42.059 0.067 0.000 1.102 42 L HN -0.023 nan 8.230 nan 0.000 0.473 43 G N -0.328 108.524 108.800 0.085 0.000 3.502 43 G HA2 0.246 4.202 3.960 -0.007 0.000 0.267 43 G HA3 0.246 4.202 3.960 -0.007 0.000 0.267 43 G C 0.129 175.142 174.900 0.188 0.000 1.090 43 G CA 0.120 45.275 45.100 0.093 0.000 0.795 43 G HN 0.727 nan 8.290 nan 0.000 0.535 44 F N -0.362 119.586 119.950 -0.005 0.000 1.952 44 F HA 0.462 4.985 4.527 -0.007 0.000 0.219 44 F C -0.173 175.632 175.800 0.007 0.000 1.272 44 F CA -1.000 57.001 58.000 0.002 0.000 1.255 44 F CB 0.625 39.627 39.000 0.004 0.000 1.971 44 F HN -0.246 nan 8.300 nan 0.000 0.130 45 R N 2.179 122.505 120.500 -0.290 0.000 2.198 45 R HA 0.345 4.681 4.340 -0.007 0.000 0.339 45 R C -2.660 173.558 176.300 -0.137 0.000 1.020 45 R CA -1.741 54.139 56.100 -0.368 0.000 0.864 45 R CB 0.980 30.897 30.300 -0.639 0.000 1.105 45 R HN 0.061 nan 8.270 nan 0.000 0.463 46 P HA 0.195 nan 4.420 nan 0.000 0.274 46 P C 0.601 177.894 177.300 -0.011 0.000 1.256 46 P CA -0.068 63.004 63.100 -0.046 0.000 0.795 46 P CB 0.849 32.523 31.700 -0.044 0.000 1.038 47 G N -1.158 107.642 108.800 -0.000 0.000 3.033 47 G HA2 -0.073 3.883 3.960 -0.007 0.000 0.208 47 G HA3 -0.073 3.883 3.960 -0.007 0.000 0.208 47 G C 1.083 176.027 174.900 0.073 0.000 1.006 47 G CA 0.403 45.569 45.100 0.110 0.000 0.808 47 G HN 0.617 nan 8.290 nan 0.000 0.499 48 A N 1.543 124.365 122.820 0.004 0.000 2.178 48 A HA 0.068 4.384 4.320 -0.007 0.000 0.218 48 A C 2.219 179.775 177.584 -0.046 0.000 1.157 48 A CA 2.010 54.056 52.037 0.015 0.000 0.689 48 A CB -0.556 18.462 19.000 0.030 0.000 0.787 48 A HN 0.704 nan 8.150 nan 0.000 0.465 49 R N -1.518 118.851 120.500 -0.218 0.000 2.189 49 R HA -0.054 4.282 4.340 -0.007 0.000 0.223 49 R C 0.577 176.667 176.300 -0.350 0.000 1.092 49 R CA 1.371 57.265 56.100 -0.342 0.000 0.989 49 R CB -0.563 29.391 30.300 -0.576 0.000 0.876 49 R HN 0.447 nan 8.270 nan 0.000 0.457 50 F N 0.910 120.877 119.950 0.029 0.000 2.727 50 F HA 0.402 4.924 4.527 -0.007 0.000 0.302 50 F C 2.334 178.159 175.800 0.042 0.000 1.097 50 F CA -0.138 57.881 58.000 0.031 0.000 1.330 50 F CB 0.138 39.149 39.000 0.018 0.000 1.084 50 F HN 0.073 nan 8.300 nan 0.000 0.578 51 A N 1.047 123.967 122.820 0.167 0.000 1.902 51 A HA -0.076 4.240 4.320 -0.007 0.000 0.217 51 A C -0.136 177.526 177.584 0.130 0.000 1.181 51 A CA 1.428 53.547 52.037 0.137 0.000 0.623 51 A CB -1.772 17.290 19.000 0.103 0.000 0.818 51 A HN 0.184 nan 8.150 nan 0.000 0.443 52 P HA -0.194 nan 4.420 nan 0.000 0.215 52 P C 1.771 179.152 177.300 0.134 0.000 1.157 52 P CA 1.671 64.839 63.100 0.113 0.000 0.874 52 P CB -0.098 31.660 31.700 0.096 0.000 0.790 53 R N -0.418 120.166 120.500 0.141 0.000 2.075 53 R HA -0.075 4.261 4.340 -0.007 0.000 0.232 53 R C 2.148 178.521 176.300 0.121 0.000 1.126 53 R CA 1.621 57.801 56.100 0.132 0.000 0.963 53 R CB -0.885 29.503 30.300 0.147 0.000 0.858 53 R HN 0.052 nan 8.270 nan 0.000 0.435 54 A N 0.883 123.779 122.820 0.128 0.000 1.902 54 A HA -0.136 4.180 4.320 -0.007 0.000 0.217 54 A C 2.162 179.812 177.584 0.109 0.000 1.181 54 A CA 1.229 53.327 52.037 0.101 0.000 0.623 54 A CB -0.547 18.513 19.000 0.101 0.000 0.818 54 A HN 0.344 nan 8.150 nan 0.000 0.443 55 L N -1.068 120.241 121.223 0.144 0.000 2.046 55 L HA -0.194 4.142 4.340 -0.007 0.000 0.208 55 L C 2.888 179.902 176.870 0.240 0.000 1.077 55 L CA 1.442 56.399 54.840 0.195 0.000 0.747 55 L CB -0.441 41.752 42.059 0.223 0.000 0.896 55 L HN 0.352 nan 8.230 nan 0.000 0.432 56 R N -0.015 120.629 120.500 0.240 0.000 2.083 56 R HA -0.187 4.149 4.340 -0.007 0.000 0.237 56 R C 2.199 178.544 176.300 0.074 0.000 1.137 56 R CA 1.691 57.920 56.100 0.215 0.000 0.951 56 R CB -0.368 30.039 30.300 0.178 0.000 0.851 56 R HN 0.464 nan 8.270 nan 0.000 0.434 57 E N 0.488 120.726 120.200 0.063 0.000 2.051 57 E HA -0.184 4.162 4.350 -0.007 0.000 0.192 57 E C 2.055 178.659 176.600 0.006 0.000 0.991 57 E CA 1.267 57.681 56.400 0.023 0.000 0.799 57 E CB -0.160 29.558 29.700 0.030 0.000 0.748 57 E HN 0.365 nan 8.360 nan 0.000 0.449 58 A N 1.431 124.267 122.820 0.027 0.000 1.972 58 A HA -0.192 4.124 4.320 -0.007 0.000 0.219 58 A C 2.286 179.854 177.584 -0.026 0.000 1.169 58 A CA 1.748 53.792 52.037 0.012 0.000 0.635 58 A CB -0.642 18.381 19.000 0.037 0.000 0.810 58 A HN 0.325 nan 8.150 nan 0.000 0.446 59 S N 0.009 115.673 115.700 -0.061 0.000 2.474 59 S HA -0.022 4.444 4.470 -0.007 0.000 0.235 59 S C 1.622 176.103 174.600 -0.198 0.000 0.997 59 S CA 1.090 59.166 58.200 -0.207 0.000 0.949 59 S CB -0.707 62.161 63.200 -0.552 0.000 0.766 59 S HN 0.488 nan 8.310 nan 0.000 0.517 60 L N 0.355 121.499 121.223 -0.132 0.000 2.456 60 L HA 0.068 4.404 4.340 -0.007 0.000 0.224 60 L C 2.742 179.554 176.870 -0.095 0.000 1.148 60 L CA 0.700 55.466 54.840 -0.123 0.000 0.825 60 L CB -0.427 41.575 42.059 -0.095 0.000 0.937 60 L HN 0.305 nan 8.230 nan 0.000 0.450 61 R N -0.768 119.692 120.500 -0.067 0.000 2.276 61 R HA 0.113 4.449 4.340 -0.007 0.000 0.196 61 R C 0.508 176.807 176.300 -0.001 0.000 0.961 61 R CA 0.248 56.327 56.100 -0.035 0.000 1.024 61 R CB 0.340 30.625 30.300 -0.025 0.000 0.940 61 R HN 0.129 nan 8.270 nan 0.000 0.480 62 S N 0.971 116.665 115.700 -0.010 0.000 2.272 62 S HA 0.216 4.682 4.470 -0.007 0.000 0.207 62 S C -0.276 174.363 174.600 0.066 0.000 1.336 62 S CA -0.415 57.870 58.200 0.141 0.000 1.259 62 S CB 1.204 64.453 63.200 0.082 0.000 1.130 62 S HN -0.142 nan 8.310 nan 0.000 0.444 63 V N 5.002 124.831 119.914 -0.141 0.000 2.488 63 V HA 0.303 4.419 4.120 -0.007 0.000 0.277 63 V C -1.684 173.963 176.094 -0.746 0.000 1.046 63 V CA -1.693 60.380 62.300 -0.379 0.000 0.986 63 V CB 0.572 32.212 31.823 -0.306 0.000 0.989 63 V HN 0.387 nan 8.190 nan 0.000 0.475 64 P HA 0.374 nan 4.420 nan 0.000 0.276 64 P C -2.568 174.338 177.300 -0.658 0.000 1.252 64 P CA -1.343 61.106 63.100 -1.085 0.000 0.802 64 P CB 0.473 31.748 31.700 -0.709 0.000 1.035 65 P HA 0.391 nan 4.420 nan 0.000 0.279 65 P C -1.147 175.752 177.300 -0.668 0.000 1.276 65 P CA -0.275 62.537 63.100 -0.479 0.000 0.801 65 P CB 0.610 32.208 31.700 -0.171 0.000 1.127 66 F N -1.391 118.543 119.950 -0.026 0.000 2.507 66 F HA 0.335 4.854 4.527 -0.013 0.000 0.325 66 F C 0.510 176.307 175.800 -0.007 0.000 1.116 66 F CA -0.468 57.519 58.000 -0.021 0.000 0.930 66 F CB 1.829 40.822 39.000 -0.011 0.000 1.146 66 F HN -0.014 nan 8.300 nan 0.000 0.447 67 T N 2.500 117.145 114.554 0.150 0.000 2.801 67 T HA 0.483 4.829 4.350 -0.007 0.000 0.306 67 T C 0.562 175.316 174.700 0.090 0.000 1.020 67 T CA -0.722 61.432 62.100 0.091 0.000 0.948 67 T CB 0.919 69.812 68.868 0.041 0.000 0.962 67 T HN 0.844 nan 8.240 nan 0.000 0.465 68 G N 1.400 110.249 108.800 0.082 0.000 2.611 68 G HA2 0.337 4.293 3.960 -0.007 0.000 0.273 68 G HA3 0.337 4.293 3.960 -0.007 0.000 0.273 68 G C 1.121 176.044 174.900 0.037 0.000 1.305 68 G CA -0.586 44.548 45.100 0.056 0.000 1.010 68 G HN 0.637 nan 8.290 nan 0.000 0.509 69 L N -0.114 121.125 121.223 0.026 0.000 2.127 69 L HA -0.068 4.268 4.340 -0.007 0.000 0.211 69 L C 2.314 179.195 176.870 0.019 0.000 1.089 69 L CA 2.658 57.509 54.840 0.019 0.000 0.757 69 L CB -0.638 41.429 42.059 0.013 0.000 0.899 69 L HN 0.710 nan 8.230 nan 0.000 0.434 70 D N -1.727 118.687 120.400 0.023 0.000 2.363 70 D HA 0.111 4.746 4.640 -0.007 0.000 0.226 70 D C 1.675 177.988 176.300 0.022 0.000 1.020 70 D CA 0.791 54.804 54.000 0.022 0.000 0.892 70 D CB -0.298 40.517 40.800 0.024 0.000 0.900 70 D HN 0.390 nan 8.370 nan 0.000 0.531 71 G N -0.287 108.528 108.800 0.024 0.000 2.199 71 G HA2 -0.328 3.628 3.960 -0.007 0.000 0.254 71 G HA3 -0.328 3.628 3.960 -0.007 0.000 0.254 71 G C 0.167 175.083 174.900 0.027 0.000 0.982 71 G CA 0.150 45.263 45.100 0.023 0.000 0.632 71 G HN 0.467 nan 8.290 nan 0.000 0.529 72 K N 1.191 121.611 120.400 0.033 0.000 2.218 72 K HA 0.534 4.850 4.320 -0.007 0.000 0.276 72 K C -0.067 176.565 176.600 0.053 0.000 1.022 72 K CA 0.118 56.427 56.287 0.037 0.000 0.946 72 K CB 0.987 33.509 32.500 0.037 0.000 1.000 72 K HN 0.105 nan 8.250 nan 0.000 0.468 73 T N 3.010 117.595 114.554 0.052 0.000 2.824 73 T HA 0.379 4.725 4.350 -0.007 0.000 0.280 73 T C -0.214 174.538 174.700 0.087 0.000 0.995 73 T CA -0.781 61.360 62.100 0.068 0.000 1.009 73 T CB 0.934 69.826 68.868 0.039 0.000 0.955 73 T HN 0.393 nan 8.240 nan 0.000 0.452 74 R N 1.600 122.181 120.500 0.136 0.000 2.803 74 R HA 0.620 4.956 4.340 -0.007 0.000 0.276 74 R C 0.048 176.458 176.300 0.183 0.000 0.978 74 R CA -0.931 55.267 56.100 0.164 0.000 0.939 74 R CB 1.336 31.754 30.300 0.195 0.000 1.179 74 R HN 0.630 nan 8.270 nan 0.000 0.472 75 L N 0.040 121.362 121.223 0.164 0.000 4.560 75 L HA -0.249 4.087 4.340 -0.007 0.000 0.415 75 L C -0.119 176.781 176.870 0.051 0.000 1.123 75 L CA 0.271 55.184 54.840 0.121 0.000 0.991 75 L CB -1.181 41.002 42.059 0.207 0.000 2.127 75 L HN 0.629 nan 8.230 nan 0.000 0.765 76 Q N 0.982 120.809 119.800 0.046 0.000 2.289 76 Q HA 0.406 4.742 4.340 -0.007 0.000 0.273 76 Q C 1.345 177.357 176.000 0.019 0.000 1.029 76 Q CA 1.561 57.374 55.803 0.017 0.000 0.896 76 Q CB 0.923 29.674 28.738 0.022 0.000 1.182 76 Q HN 0.365 nan 8.270 nan 0.000 0.385 77 G N 2.486 111.290 108.800 0.008 0.000 2.205 77 G HA2 -0.247 3.709 3.960 -0.007 0.000 0.261 77 G HA3 -0.247 3.709 3.960 -0.007 0.000 0.261 77 G C -0.165 174.742 174.900 0.011 0.000 0.980 77 G CA 0.121 45.230 45.100 0.015 0.000 0.632 77 G HN 0.648 nan 8.290 nan 0.000 0.533 78 V N 2.940 122.850 119.914 -0.007 0.000 2.427 78 V HA 0.489 4.605 4.120 -0.007 0.000 0.268 78 V C 1.200 177.313 176.094 0.032 0.000 1.046 78 V CA 0.370 62.612 62.300 -0.098 0.000 0.970 78 V CB 0.795 32.429 31.823 -0.314 0.000 1.001 78 V HN 0.681 nan 8.190 nan 0.000 0.476 79 T N 2.904 117.449 114.554 -0.014 0.000 2.897 79 T HA 0.663 5.009 4.350 -0.007 0.000 0.294 79 T C -0.727 173.996 174.700 0.038 0.000 1.004 79 T CA -0.323 61.831 62.100 0.089 0.000 1.106 79 T CB 0.731 69.640 68.868 0.067 0.000 0.949 79 T HN 0.193 nan 8.240 nan 0.000 0.520 80 F N 0.566 120.505 119.950 -0.018 0.000 2.579 80 F HA 0.787 5.312 4.527 -0.005 0.000 0.324 80 F C 0.320 176.115 175.800 -0.009 0.000 1.058 80 F CA -0.908 57.096 58.000 0.007 0.000 0.944 80 F CB 2.238 41.241 39.000 0.005 0.000 1.245 80 F HN 1.036 nan 8.300 nan 0.000 0.477 81 A N 1.043 123.950 122.820 0.145 0.000 2.594 81 A HA 0.588 4.904 4.320 -0.007 0.000 0.295 81 A C -2.107 175.432 177.584 -0.076 0.000 1.071 81 A CA -0.586 51.403 52.037 -0.080 0.000 0.685 81 A CB 1.763 20.542 19.000 -0.368 0.000 1.285 81 A HN 0.587 nan 8.150 nan 0.000 0.405 82 D N 1.566 121.880 120.400 -0.145 0.000 2.471 82 D HA 0.539 5.175 4.640 -0.007 0.000 0.245 82 D C 0.524 176.718 176.300 -0.177 0.000 1.116 82 D CA 0.254 54.212 54.000 -0.069 0.000 0.853 82 D CB 1.770 42.586 40.800 0.027 0.000 1.123 82 D HN 0.598 nan 8.370 nan 0.000 0.540 83 A N 2.820 125.551 122.820 -0.149 0.000 2.276 83 A HA 0.520 4.836 4.320 -0.007 0.000 0.212 83 A C 1.291 178.868 177.584 -0.012 0.000 1.230 83 A CA 0.732 52.703 52.037 -0.110 0.000 0.844 83 A CB -0.659 18.361 19.000 0.033 0.000 0.860 83 A HN 0.898 nan 8.150 nan 0.000 0.486 84 G N -0.313 108.485 108.800 -0.003 0.000 2.539 84 G HA2 -0.176 3.780 3.960 -0.007 0.000 0.256 84 G HA3 -0.176 3.780 3.960 -0.007 0.000 0.256 84 G C -0.793 174.139 174.900 0.055 0.000 1.233 84 G CA 0.108 45.224 45.100 0.027 0.000 0.936 84 G HN 0.420 nan 8.290 nan 0.000 0.571 85 D N -0.664 119.770 120.400 0.057 0.000 2.350 85 D HA 0.563 5.199 4.640 -0.007 0.000 0.238 85 D C 0.441 176.779 176.300 0.062 0.000 0.989 85 D CA -0.382 53.658 54.000 0.067 0.000 0.921 85 D CB 1.755 42.593 40.800 0.063 0.000 1.297 85 D HN 0.444 nan 8.370 nan 0.000 0.490 86 V N 1.312 121.263 119.914 0.062 0.000 2.715 86 V HA 0.105 4.221 4.120 -0.007 0.000 0.299 86 V C 0.729 176.845 176.094 0.037 0.000 1.054 86 V CA -0.300 62.026 62.300 0.043 0.000 1.077 86 V CB 0.505 32.342 31.823 0.022 0.000 0.972 86 V HN 0.349 nan 8.190 nan 0.000 0.484 87 I N 6.021 126.607 120.570 0.028 0.000 2.329 87 I HA 0.210 4.376 4.170 -0.007 0.000 0.295 87 I C -0.096 176.033 176.117 0.020 0.000 1.109 87 I CA 0.189 61.504 61.300 0.025 0.000 1.297 87 I CB 0.028 38.040 38.000 0.020 0.000 1.433 87 I HN 0.387 nan 8.210 nan 0.000 0.509 88 L N 8.578 129.822 121.223 0.035 0.000 2.343 88 L HA 0.541 4.877 4.340 -0.007 0.000 0.275 88 L C -1.704 175.188 176.870 0.037 0.000 1.056 88 L CA -1.595 53.273 54.840 0.048 0.000 0.804 88 L CB 0.649 42.774 42.059 0.109 0.000 1.203 88 L HN 0.429 nan 8.230 nan 0.000 0.440 89 P HA 0.294 nan 4.420 nan 0.000 0.297 89 P C -0.915 176.399 177.300 0.023 0.000 1.307 89 P CA -0.581 62.529 63.100 0.015 0.000 0.773 89 P CB 1.075 32.775 31.700 -0.002 0.000 1.265 90 S N -0.736 114.967 115.700 0.006 0.000 2.554 90 S HA 0.402 4.868 4.470 -0.007 0.000 0.278 90 S C 0.715 175.313 174.600 -0.004 0.000 1.242 90 S CA -0.484 57.713 58.200 -0.006 0.000 1.051 90 S CB -0.263 62.930 63.200 -0.012 0.000 0.986 90 S HN 0.512 nan 8.310 nan 0.000 0.502 91 L N 0.931 122.147 121.223 -0.012 0.000 6.519 91 L HA -0.285 4.050 4.340 -0.007 0.000 0.053 91 L C 0.082 176.962 176.870 0.017 0.000 1.992 91 L CA 0.648 55.486 54.840 -0.003 0.000 1.661 91 L CB -0.945 41.109 42.059 -0.008 0.000 2.744 91 L HN 0.629 nan 8.230 nan 0.000 1.041 92 E N -0.389 119.804 120.200 -0.012 0.000 2.160 92 E HA -0.216 4.130 4.350 -0.007 0.000 0.180 92 E C -1.649 174.880 176.600 -0.118 0.000 1.452 92 E CA 0.885 57.252 56.400 -0.055 0.000 0.683 92 E CB -1.172 28.497 29.700 -0.051 0.000 1.072 92 E HN 0.527 nan 8.360 nan 0.000 0.332 93 P HA -0.258 nan 4.420 nan 0.000 0.215 93 P C 1.588 178.332 177.300 -0.926 0.000 1.153 93 P CA 1.425 64.281 63.100 -0.406 0.000 0.853 93 P CB 0.186 31.722 31.700 -0.272 0.000 0.788 94 Q N -0.509 118.880 119.800 -0.685 0.000 2.061 94 Q HA -0.185 4.151 4.340 -0.007 0.000 0.204 94 Q C 2.263 178.020 176.000 -0.405 0.000 0.984 94 Q CA 1.310 56.746 55.803 -0.611 0.000 0.846 94 Q CB -0.581 27.955 28.738 -0.337 0.000 0.902 94 Q HN 0.077 nan 8.270 nan 0.000 0.421 95 L N 0.524 121.579 121.223 -0.279 0.000 2.056 95 L HA -0.059 4.277 4.340 -0.007 0.000 0.207 95 L C 2.219 178.976 176.870 -0.188 0.000 1.078 95 L CA 2.180 56.912 54.840 -0.180 0.000 0.749 95 L CB -0.924 41.066 42.059 -0.115 0.000 0.901 95 L HN 0.262 nan 8.230 nan 0.000 0.433 96 A N -1.142 121.536 122.820 -0.236 0.000 1.908 96 A HA -0.277 4.039 4.320 -0.007 0.000 0.218 96 A C 2.145 179.592 177.584 -0.228 0.000 1.181 96 A CA 2.001 53.910 52.037 -0.213 0.000 0.627 96 A CB -1.177 17.685 19.000 -0.231 0.000 0.818 96 A HN 0.736 nan 8.150 nan 0.000 0.445 97 H N -0.513 118.336 119.070 -0.368 0.000 2.319 97 H HA -0.136 4.416 4.556 -0.007 0.000 0.299 97 H C 1.655 176.788 175.328 -0.324 0.000 1.092 97 H CA 0.903 56.708 56.048 -0.406 0.000 1.302 97 H CB -0.022 29.459 29.762 -0.469 0.000 1.373 97 H HN 0.443 nan 8.280 nan 0.000 0.497 98 D N 0.535 120.855 120.400 -0.134 0.000 2.117 98 D HA -0.110 4.526 4.640 -0.007 0.000 0.197 98 D C 2.190 178.421 176.300 -0.115 0.000 0.987 98 D CA 0.918 54.840 54.000 -0.130 0.000 0.829 98 D CB -0.201 40.532 40.800 -0.111 0.000 0.961 98 D HN 0.349 nan 8.370 nan 0.000 0.460 99 R N 0.110 120.547 120.500 -0.105 0.000 2.115 99 R HA 0.009 4.345 4.340 -0.007 0.000 0.230 99 R C 2.523 178.772 176.300 -0.085 0.000 1.111 99 R CA 0.528 56.581 56.100 -0.078 0.000 0.976 99 R CB -0.164 30.100 30.300 -0.061 0.000 0.870 99 R HN 0.257 nan 8.270 nan 0.000 0.445 100 I N 0.014 120.509 120.570 -0.124 0.000 2.202 100 I HA -0.237 3.929 4.170 -0.007 0.000 0.242 100 I C 2.074 178.091 176.117 -0.167 0.000 1.091 100 I CA 1.355 62.566 61.300 -0.149 0.000 1.368 100 I CB -0.429 37.444 38.000 -0.212 0.000 1.058 100 I HN 0.126 nan 8.210 nan 0.000 0.410 101 T N -0.101 114.339 114.554 -0.191 0.000 2.746 101 T HA -0.224 4.122 4.350 -0.007 0.000 0.267 101 T C 1.787 176.414 174.700 -0.121 0.000 1.039 101 T CA 1.743 63.732 62.100 -0.185 0.000 1.142 101 T CB -0.231 68.513 68.868 -0.207 0.000 0.866 101 T HN 0.298 nan 8.240 nan 0.000 0.444 102 E N 1.737 121.881 120.200 -0.094 0.000 2.051 102 E HA -0.052 4.294 4.350 -0.007 0.000 0.192 102 E C 2.214 178.797 176.600 -0.028 0.000 0.991 102 E CA 1.543 57.908 56.400 -0.059 0.000 0.799 102 E CB -0.652 29.019 29.700 -0.047 0.000 0.748 102 E HN 0.419 nan 8.360 nan 0.000 0.449 103 A N 0.812 123.624 122.820 -0.014 0.000 1.902 103 A HA -0.006 4.310 4.320 -0.007 0.000 0.217 103 A C 2.464 180.098 177.584 0.084 0.000 1.181 103 A CA 2.137 54.200 52.037 0.043 0.000 0.623 103 A CB -1.061 17.969 19.000 0.050 0.000 0.818 103 A HN 0.408 nan 8.150 nan 0.000 0.443 104 A N -0.203 122.637 122.820 0.034 0.000 1.877 104 A HA -0.169 4.146 4.320 -0.007 0.000 0.216 104 A C 2.261 179.882 177.584 0.062 0.000 1.186 104 A CA 1.488 53.585 52.037 0.100 0.000 0.620 104 A CB -0.505 18.408 19.000 -0.146 0.000 0.822 104 A HN 0.526 nan 8.150 nan 0.000 0.443 105 R N -0.526 119.949 120.500 -0.042 0.000 2.083 105 R HA -0.195 4.141 4.340 -0.007 0.000 0.237 105 R C 2.509 178.779 176.300 -0.050 0.000 1.137 105 R CA 1.917 57.965 56.100 -0.087 0.000 0.951 105 R CB -0.472 29.775 30.300 -0.089 0.000 0.851 105 R HN 0.727 nan 8.270 nan 0.000 0.434 106 Q N -0.003 119.792 119.800 -0.009 0.000 2.050 106 Q HA -0.129 4.207 4.340 -0.007 0.000 0.202 106 Q C 2.254 178.263 176.000 0.016 0.000 0.980 106 Q CA 1.593 57.395 55.803 -0.002 0.000 0.840 106 Q CB -0.148 28.613 28.738 0.038 0.000 0.898 106 Q HN 0.158 nan 8.270 nan 0.000 0.424 107 V N 0.939 120.930 119.914 0.128 0.000 2.427 107 V HA -0.232 3.884 4.120 -0.007 0.000 0.248 107 V C 2.322 178.475 176.094 0.099 0.000 1.051 107 V CA 1.526 63.959 62.300 0.222 0.000 1.048 107 V CB -0.548 31.472 31.823 0.329 0.000 0.666 107 V HN 0.303 nan 8.190 nan 0.000 0.456 108 R N 0.293 120.828 120.500 0.058 0.000 2.091 108 R HA -0.141 4.195 4.340 -0.007 0.000 0.238 108 R C 2.324 178.577 176.300 -0.079 0.000 1.136 108 R CA 1.670 57.755 56.100 -0.025 0.000 0.959 108 R CB -0.925 29.276 30.300 -0.166 0.000 0.856 108 R HN 0.579 nan 8.270 nan 0.000 0.437 109 G N 0.000 108.734 108.800 -0.111 0.000 2.625 109 G HA2 -0.193 3.763 3.960 -0.007 0.000 0.214 109 G HA3 -0.193 3.763 3.960 -0.007 0.000 0.214 109 G C 1.229 176.003 174.900 -0.210 0.000 1.132 109 G CA 0.096 45.112 45.100 -0.140 0.000 0.782 109 G HN 0.307 nan 8.290 nan 0.000 0.538 110 R N -0.928 119.395 120.500 -0.295 0.000 2.508 110 R HA 0.294 4.630 4.340 -0.007 0.000 0.300 110 R C 0.224 176.320 176.300 -0.339 0.000 0.970 110 R CA 0.124 55.898 56.100 -0.543 0.000 1.102 110 R CB 0.244 29.763 30.300 -1.302 0.000 1.246 110 R HN 0.461 nan 8.270 nan 0.000 0.539 111 C N -2.937 116.303 119.300 -0.099 0.000 3.323 111 C HA 0.514 4.970 4.460 -0.007 0.000 0.324 111 C C 1.073 176.087 174.990 0.040 0.000 1.428 111 C CA -1.066 57.976 59.018 0.041 0.000 1.368 111 C CB 2.170 30.003 27.740 0.154 0.000 1.731 111 C HN 0.311 nan 8.230 nan 0.000 0.455 112 R N 0.082 120.633 120.500 0.085 0.000 2.105 112 R HA 0.427 4.763 4.340 -0.007 0.000 0.214 112 R C -0.342 176.010 176.300 0.086 0.000 1.091 112 R CA 1.061 57.211 56.100 0.083 0.000 1.007 112 R CB 0.177 30.553 30.300 0.127 0.000 0.912 112 R HN 0.700 nan 8.270 nan 0.000 0.450 113 V N 4.083 124.073 119.914 0.126 0.000 2.380 113 V HA 0.401 4.517 4.120 -0.007 0.000 0.286 113 V C -2.500 173.614 176.094 0.034 0.000 1.015 113 V CA -1.904 60.457 62.300 0.101 0.000 0.834 113 V CB 1.582 33.501 31.823 0.161 0.000 1.009 113 V HN 0.235 nan 8.190 nan 0.000 0.428 114 P HA 0.386 nan 4.420 nan 0.000 0.284 114 P C -0.921 176.090 177.300 -0.483 0.000 1.253 114 P CA -0.316 62.632 63.100 -0.253 0.000 0.800 114 P CB 2.290 33.828 31.700 -0.269 0.000 0.961 115 V N 4.523 124.119 119.914 -0.531 0.000 2.378 115 V HA 0.354 4.470 4.120 -0.007 0.000 0.288 115 V C -0.197 175.586 176.094 -0.518 0.000 1.016 115 V CA -0.379 61.650 62.300 -0.452 0.000 0.840 115 V CB 0.565 32.207 31.823 -0.302 0.000 0.994 115 V HN 0.375 nan 8.190 nan 0.000 0.431 116 F N 5.263 125.214 119.950 0.002 0.000 2.427 116 F HA 0.597 5.121 4.527 -0.005 0.000 0.346 116 F C 0.074 175.867 175.800 -0.012 0.000 1.120 116 F CA -0.751 57.263 58.000 0.023 0.000 1.033 116 F CB 1.354 40.421 39.000 0.112 0.000 1.126 116 F HN 0.206 nan 8.300 nan 0.000 0.462 117 L N 4.009 125.319 121.223 0.144 0.000 2.276 117 L HA 0.566 4.902 4.340 -0.007 0.000 0.286 117 L C 0.616 177.554 176.870 0.113 0.000 1.024 117 L CA -0.572 54.315 54.840 0.079 0.000 0.826 117 L CB 0.893 42.958 42.059 0.009 0.000 1.211 117 L HN 0.763 nan 8.230 nan 0.000 0.422 118 G N 1.391 110.257 108.800 0.109 0.000 2.543 118 G HA2 0.654 4.610 3.960 -0.007 0.000 0.290 118 G HA3 0.654 4.610 3.960 -0.007 0.000 0.290 118 G C 0.063 175.018 174.900 0.092 0.000 1.310 118 G CA -0.055 45.110 45.100 0.108 0.000 1.025 118 G HN 0.930 nan 8.290 nan 0.000 0.502 119 G N -0.682 108.171 108.800 0.088 0.000 2.719 119 G HA2 0.270 4.226 3.960 -0.007 0.000 0.686 119 G HA3 0.270 4.226 3.960 -0.007 0.000 0.686 119 G C -0.342 174.637 174.900 0.131 0.000 1.201 119 G CA 0.192 45.369 45.100 0.129 0.000 0.768 119 G HN 1.258 nan 8.290 nan 0.000 0.629 120 D N -0.823 119.684 120.400 0.179 0.000 2.384 120 D HA 0.314 4.950 4.640 -0.007 0.000 0.244 120 D C 1.215 177.645 176.300 0.216 0.000 1.251 120 D CA -0.032 54.073 54.000 0.175 0.000 0.961 120 D CB 0.403 41.309 40.800 0.177 0.000 1.116 120 D HN 0.631 nan 8.370 nan 0.000 0.484 121 H N -1.414 117.737 119.070 0.135 0.000 2.518 121 H HA -0.105 4.447 4.556 -0.006 0.000 0.289 121 H C 1.809 177.170 175.328 0.055 0.000 1.051 121 H CA 0.873 56.989 56.048 0.114 0.000 1.280 121 H CB 0.327 30.173 29.762 0.140 0.000 1.380 121 H HN 0.471 nan 8.280 nan 0.000 0.566 122 S N 0.068 115.912 115.700 0.239 0.000 2.442 122 S HA -0.147 4.319 4.470 -0.007 0.000 0.236 122 S C 2.260 176.883 174.600 0.038 0.000 1.007 122 S CA 1.022 59.311 58.200 0.149 0.000 0.965 122 S CB -0.840 62.525 63.200 0.275 0.000 0.773 122 S HN 0.387 nan 8.310 nan 0.000 0.504 123 V N -0.273 119.673 119.914 0.054 0.000 2.720 123 V HA -0.040 4.076 4.120 -0.007 0.000 0.256 123 V C 2.194 178.229 176.094 -0.099 0.000 1.082 123 V CA 1.839 64.094 62.300 -0.075 0.000 1.101 123 V CB -1.504 30.313 31.823 -0.010 0.000 0.693 123 V HN 0.470 nan 8.190 nan 0.000 0.479 124 S N -0.162 115.529 115.700 -0.015 0.000 2.419 124 S HA -0.151 4.315 4.470 -0.007 0.000 0.235 124 S C 1.646 176.122 174.600 -0.207 0.000 1.019 124 S CA 1.906 60.062 58.200 -0.073 0.000 0.982 124 S CB -0.590 62.555 63.200 -0.092 0.000 0.789 124 S HN 0.876 nan 8.310 nan 0.000 0.490 125 Y N 3.906 123.997 120.300 -0.348 0.000 2.092 125 Y HA -0.033 4.513 4.550 -0.007 0.000 0.282 125 Y C -0.997 174.725 175.900 -0.297 0.000 1.126 125 Y CA 0.915 58.814 58.100 -0.334 0.000 1.111 125 Y CB -1.571 36.699 38.460 -0.316 0.000 0.987 125 Y HN 0.167 nan 8.280 nan 0.000 0.489 126 P HA -0.151 nan 4.420 nan 0.000 0.222 126 P C 1.811 178.845 177.300 -0.443 0.000 1.147 126 P CA 1.177 63.831 63.100 -0.743 0.000 0.790 126 P CB 0.011 31.351 31.700 -0.599 0.000 0.780 127 L N -0.418 120.585 121.223 -0.366 0.000 2.044 127 L HA -0.042 4.294 4.340 -0.007 0.000 0.205 127 L C 2.711 179.498 176.870 -0.137 0.000 1.075 127 L CA 1.534 56.172 54.840 -0.337 0.000 0.747 127 L CB -1.577 40.267 42.059 -0.359 0.000 0.903 127 L HN -0.140 nan 8.230 nan 0.000 0.435 128 L N -1.092 119.994 121.223 -0.229 0.000 2.191 128 L HA -0.200 4.136 4.340 -0.007 0.000 0.212 128 L C 2.542 179.420 176.870 0.014 0.000 1.103 128 L CA 0.832 55.548 54.840 -0.205 0.000 0.769 128 L CB -0.408 41.479 42.059 -0.287 0.000 0.908 128 L HN 0.241 nan 8.230 nan 0.000 0.438 129 R N -0.079 120.354 120.500 -0.111 0.000 2.249 129 R HA -0.115 4.221 4.340 -0.007 0.000 0.230 129 R C 2.000 178.276 176.300 -0.041 0.000 1.121 129 R CA 1.042 57.081 56.100 -0.102 0.000 0.997 129 R CB -0.318 29.828 30.300 -0.256 0.000 0.867 129 R HN 0.317 nan 8.270 nan 0.000 0.465 130 A N -0.154 122.664 122.820 -0.004 0.000 2.238 130 A HA 0.033 4.349 4.320 -0.007 0.000 0.208 130 A C 0.574 178.004 177.584 -0.256 0.000 1.177 130 A CA 0.386 52.347 52.037 -0.127 0.000 0.804 130 A CB 0.033 18.916 19.000 -0.195 0.000 0.823 130 A HN 0.168 nan 8.150 nan 0.000 0.482 131 F N -1.177 118.752 119.950 -0.035 0.000 2.791 131 F HA 0.408 4.931 4.527 -0.008 0.000 0.308 131 F C 1.804 177.600 175.800 -0.007 0.000 1.138 131 F CA -0.156 57.844 58.000 0.001 0.000 1.294 131 F CB -0.051 38.952 39.000 0.005 0.000 0.975 131 F HN 0.193 nan 8.300 nan 0.000 0.512 132 A N 0.178 123.055 122.820 0.094 0.000 2.070 132 A HA -0.190 4.126 4.320 -0.007 0.000 0.220 132 A C 1.802 179.419 177.584 0.056 0.000 1.159 132 A CA 1.964 54.039 52.037 0.064 0.000 0.656 132 A CB -0.522 18.493 19.000 0.025 0.000 0.800 132 A HN 0.414 nan 8.150 nan 0.000 0.453 133 D N -0.867 119.559 120.400 0.044 0.000 2.342 133 D HA 0.139 4.774 4.640 -0.007 0.000 0.221 133 D C -0.135 176.200 176.300 0.058 0.000 1.101 133 D CA -0.112 53.909 54.000 0.035 0.000 0.837 133 D CB -0.475 40.328 40.800 0.005 0.000 0.938 133 D HN 0.085 nan 8.370 nan 0.000 0.508 134 V N 3.150 123.125 119.914 0.102 0.000 2.368 134 V HA 0.266 4.381 4.120 -0.007 0.000 0.266 134 V C -1.993 174.160 176.094 0.098 0.000 1.045 134 V CA -1.533 60.839 62.300 0.119 0.000 0.899 134 V CB 1.010 32.954 31.823 0.201 0.000 1.006 134 V HN 0.113 nan 8.190 nan 0.000 0.470 135 P HA 0.084 nan 4.420 nan 0.000 0.267 135 P C -0.238 177.116 177.300 0.090 0.000 1.205 135 P CA 0.193 63.335 63.100 0.069 0.000 0.765 135 P CB 0.489 32.219 31.700 0.049 0.000 0.828 136 D N -0.162 120.296 120.400 0.098 0.000 2.735 136 D HA -0.187 4.449 4.640 -0.007 0.000 0.235 136 D C 0.249 176.690 176.300 0.235 0.000 1.175 136 D CA 0.633 54.719 54.000 0.144 0.000 0.683 136 D CB -0.912 39.981 40.800 0.154 0.000 1.008 136 D HN 0.316 nan 8.370 nan 0.000 0.416 137 L N 1.641 122.960 121.223 0.160 0.000 2.455 137 L HA 0.116 4.452 4.340 -0.007 0.000 0.272 137 L C 0.294 177.263 176.870 0.165 0.000 1.174 137 L CA 0.516 55.455 54.840 0.164 0.000 0.869 137 L CB 0.513 42.631 42.059 0.098 0.000 1.130 137 L HN 0.133 nan 8.230 nan 0.000 0.474 138 H N 3.978 123.054 119.070 0.009 0.000 2.524 138 H HA 0.540 5.092 4.556 -0.007 0.000 0.353 138 H C -1.086 174.234 175.328 -0.014 0.000 1.136 138 H CA -1.032 55.022 56.048 0.010 0.000 1.193 138 H CB 2.064 31.834 29.762 0.014 0.000 1.558 138 H HN 0.399 nan 8.280 nan 0.000 0.515 139 V N 3.735 123.676 119.914 0.046 0.000 2.495 139 V HA 0.167 4.283 4.120 -0.007 0.000 0.298 139 V C -0.188 175.906 176.094 -0.000 0.000 1.031 139 V CA -0.729 61.599 62.300 0.046 0.000 0.871 139 V CB 2.018 33.849 31.823 0.012 0.000 0.988 139 V HN 0.439 nan 8.190 nan 0.000 0.432 140 V N 5.372 125.331 119.914 0.074 0.000 2.334 140 V HA 0.433 4.549 4.120 -0.007 0.000 0.281 140 V C -0.100 176.085 176.094 0.151 0.000 1.016 140 V CA -0.381 61.990 62.300 0.118 0.000 0.832 140 V CB 1.418 33.401 31.823 0.266 0.000 0.999 140 V HN 0.945 nan 8.190 nan 0.000 0.439 141 Q N 5.650 125.457 119.800 0.011 0.000 2.331 141 Q HA 0.606 4.942 4.340 -0.007 0.000 0.267 141 Q C -1.701 174.308 176.000 0.014 0.000 1.006 141 Q CA -0.691 55.122 55.803 0.017 0.000 0.818 141 Q CB 1.790 30.403 28.738 -0.210 0.000 1.276 141 Q HN 0.698 nan 8.270 nan 0.000 0.450 142 L N 4.021 125.270 121.223 0.043 0.000 2.264 142 L HA 0.571 4.907 4.340 -0.007 0.000 0.289 142 L C -0.543 176.344 176.870 0.027 0.000 1.044 142 L CA -0.336 54.478 54.840 -0.043 0.000 0.807 142 L CB 1.215 43.186 42.059 -0.147 0.000 1.192 142 L HN 0.731 nan 8.230 nan 0.000 0.425 143 D N 1.293 121.704 120.400 0.018 0.000 2.685 143 D HA 0.271 4.907 4.640 -0.007 0.000 0.236 143 D C -0.107 176.225 176.300 0.054 0.000 1.233 143 D CA -0.306 53.763 54.000 0.115 0.000 0.760 143 D CB 2.134 43.077 40.800 0.238 0.000 1.410 143 D HN 0.427 nan 8.370 nan 0.000 0.439 144 A N 1.597 124.439 122.820 0.036 0.000 2.072 144 A HA 0.131 4.447 4.320 -0.007 0.000 0.216 144 A C 0.294 177.700 177.584 -0.296 0.000 1.156 144 A CA 1.037 52.974 52.037 -0.167 0.000 0.701 144 A CB -0.247 18.567 19.000 -0.309 0.000 0.816 144 A HN 0.549 nan 8.150 nan 0.000 0.458 145 H N -2.786 116.352 119.070 0.114 0.000 2.670 145 H HA 0.510 5.062 4.556 -0.007 0.000 0.361 145 H C 0.531 175.960 175.328 0.169 0.000 1.169 145 H CA -0.742 55.365 56.048 0.099 0.000 1.198 145 H CB 1.311 31.104 29.762 0.051 0.000 1.700 145 H HN 0.030 nan 8.280 nan 0.000 0.542 146 L N 0.427 121.846 121.223 0.327 0.000 2.127 146 L HA 0.060 4.396 4.340 -0.007 0.000 0.203 146 L C -0.038 176.984 176.870 0.254 0.000 1.080 146 L CA 1.141 56.132 54.840 0.252 0.000 0.768 146 L CB -0.284 41.944 42.059 0.281 0.000 0.924 146 L HN 0.729 nan 8.230 nan 0.000 0.444 147 D N -0.963 119.595 120.400 0.263 0.000 2.723 147 D HA -0.290 4.346 4.640 -0.007 0.000 0.236 147 D C -0.003 176.505 176.300 0.346 0.000 1.138 147 D CA 0.873 55.020 54.000 0.244 0.000 0.676 147 D CB -1.662 39.269 40.800 0.218 0.000 1.069 147 D HN 0.349 nan 8.370 nan 0.000 0.430 148 F N 0.224 120.242 119.950 0.112 0.000 2.805 148 F HA 0.161 4.684 4.527 -0.007 0.000 0.317 148 F C 0.553 176.369 175.800 0.028 0.000 1.146 148 F CA -0.063 57.990 58.000 0.089 0.000 1.265 148 F CB 0.759 39.815 39.000 0.093 0.000 0.992 148 F HN -0.288 nan 8.300 nan 0.000 0.511 149 T N 0.587 115.149 114.554 0.013 0.000 2.907 149 T HA 0.008 4.353 4.350 -0.007 0.000 0.298 149 T C 0.944 175.539 174.700 -0.175 0.000 1.017 149 T CA 0.025 62.094 62.100 -0.052 0.000 1.118 149 T CB 1.248 70.103 68.868 -0.022 0.000 0.948 149 T HN 0.223 nan 8.240 nan 0.000 0.531 150 D N 1.986 122.283 120.400 -0.172 0.000 2.113 150 D HA -0.017 4.619 4.640 -0.007 0.000 0.206 150 D C 0.417 176.585 176.300 -0.220 0.000 0.979 150 D CA 1.131 54.998 54.000 -0.223 0.000 0.862 150 D CB 0.296 40.991 40.800 -0.176 0.000 1.013 150 D HN 0.503 nan 8.370 nan 0.000 0.455 151 T N -0.062 114.395 114.554 -0.161 0.000 2.861 151 T HA 0.523 4.869 4.350 -0.007 0.000 0.287 151 T C -0.607 174.032 174.700 -0.101 0.000 1.003 151 T CA -0.719 61.289 62.100 -0.154 0.000 0.977 151 T CB 2.541 71.324 68.868 -0.142 0.000 0.996 151 T HN -0.027 nan 8.240 nan 0.000 0.448 152 R N 2.210 122.657 120.500 -0.089 0.000 2.574 152 R HA 0.342 4.678 4.340 -0.007 0.000 0.288 152 R C -0.671 175.605 176.300 -0.041 0.000 1.004 152 R CA -0.493 55.575 56.100 -0.054 0.000 0.895 152 R CB 0.609 30.884 30.300 -0.041 0.000 1.191 152 R HN 0.862 nan 8.270 nan 0.000 0.444 153 N N 3.456 122.137 118.700 -0.031 0.000 2.714 153 N HA -0.217 4.519 4.740 -0.007 0.000 0.252 153 N C -1.058 174.440 175.510 -0.020 0.000 1.014 153 N CA 1.334 54.372 53.050 -0.020 0.000 0.735 153 N CB -0.679 37.804 38.487 -0.007 0.000 0.924 153 N HN 0.850 nan 8.380 nan 0.000 0.540 154 D N -2.566 117.813 120.400 -0.035 0.000 2.945 154 D HA -0.202 4.434 4.640 -0.007 0.000 0.225 154 D C -0.168 176.104 176.300 -0.047 0.000 1.158 154 D CA 1.858 55.834 54.000 -0.039 0.000 0.805 154 D CB -1.005 39.783 40.800 -0.020 0.000 1.098 154 D HN 0.560 nan 8.370 nan 0.000 0.426 155 T N -1.223 113.288 114.554 -0.071 0.000 2.903 155 T HA 0.322 4.668 4.350 -0.007 0.000 0.299 155 T C 0.522 175.077 174.700 -0.243 0.000 1.093 155 T CA -0.592 61.445 62.100 -0.104 0.000 1.002 155 T CB 1.855 70.729 68.868 0.010 0.000 1.127 155 T HN -0.216 nan 8.240 nan 0.000 0.488 156 K N 1.781 121.865 120.400 -0.526 0.000 2.361 156 K HA 0.132 4.448 4.320 -0.007 0.000 0.194 156 K C 0.209 176.360 176.600 -0.748 0.000 1.032 156 K CA 0.278 56.089 56.287 -0.795 0.000 1.048 156 K CB 0.403 32.151 32.500 -1.254 0.000 0.842 156 K HN 0.690 nan 8.250 nan 0.000 0.526 157 W N 2.315 123.628 121.300 0.021 0.000 2.926 157 W HA 0.136 4.792 4.660 -0.007 0.000 0.419 157 W C 0.695 177.276 176.519 0.103 0.000 0.993 157 W CA -0.711 56.684 57.345 0.085 0.000 2.025 157 W CB -0.079 29.537 29.460 0.260 0.000 1.152 157 W HN -0.159 nan 8.180 nan 0.000 0.659 158 S N 1.191 116.992 115.700 0.169 0.000 2.617 158 S HA -0.014 4.452 4.470 -0.007 0.000 0.259 158 S C 1.359 176.035 174.600 0.128 0.000 1.301 158 S CA -0.110 58.178 58.200 0.146 0.000 0.984 158 S CB 0.646 63.883 63.200 0.062 0.000 0.954 158 S HN 0.345 nan 8.310 nan 0.000 0.572 159 N N 0.355 119.132 118.700 0.128 0.000 2.571 159 N HA -0.038 4.698 4.740 -0.007 0.000 0.189 159 N C 0.700 176.247 175.510 0.061 0.000 1.154 159 N CA 0.578 53.703 53.050 0.125 0.000 0.907 159 N CB -0.656 37.927 38.487 0.161 0.000 0.977 159 N HN 0.445 nan 8.380 nan 0.000 0.449 160 S N -0.921 114.795 115.700 0.028 0.000 2.575 160 S HA 0.165 4.631 4.470 -0.007 0.000 0.215 160 S C 0.869 175.465 174.600 -0.006 0.000 0.966 160 S CA -0.262 57.945 58.200 0.012 0.000 0.911 160 S CB 0.230 63.427 63.200 -0.005 0.000 0.780 160 S HN 0.363 nan 8.310 nan 0.000 0.514 161 S N 1.440 117.109 115.700 -0.051 0.000 2.666 161 S HA 0.161 4.627 4.470 -0.007 0.000 0.239 161 S C -1.381 173.098 174.600 -0.201 0.000 1.031 161 S CA -0.481 57.638 58.200 -0.136 0.000 1.015 161 S CB 0.098 63.179 63.200 -0.198 0.000 0.981 161 S HN 0.382 nan 8.310 nan 0.000 0.547 162 P HA -0.157 nan 4.420 nan 0.000 0.216 162 P C 0.879 177.918 177.300 -0.435 0.000 1.157 162 P CA 1.476 64.364 63.100 -0.354 0.000 0.880 162 P CB -0.237 31.160 31.700 -0.505 0.000 0.791 163 F N -0.619 119.310 119.950 -0.035 0.000 2.456 163 F HA 0.033 4.556 4.527 -0.007 0.000 0.298 163 F C 2.829 178.616 175.800 -0.023 0.000 1.104 163 F CA 0.432 58.479 58.000 0.077 0.000 1.435 163 F CB -0.686 38.452 39.000 0.230 0.000 1.078 163 F HN -0.170 nan 8.300 nan 0.000 0.546 164 R N 0.833 121.169 120.500 -0.273 0.000 2.073 164 R HA 0.000 4.336 4.340 -0.007 0.000 0.229 164 R C 2.241 178.270 176.300 -0.452 0.000 1.120 164 R CA 1.185 56.808 56.100 -0.795 0.000 0.967 164 R CB -0.280 29.523 30.300 -0.828 0.000 0.862 164 R HN -0.094 nan 8.270 nan 0.000 0.436 165 R N 0.209 120.431 120.500 -0.465 0.000 2.075 165 R HA 0.033 4.369 4.340 -0.007 0.000 0.232 165 R C 2.094 178.147 176.300 -0.410 0.000 1.126 165 R CA 1.459 57.169 56.100 -0.650 0.000 0.963 165 R CB -0.965 28.585 30.300 -1.250 0.000 0.858 165 R HN 0.345 nan 8.270 nan 0.000 0.435 166 A N 0.571 123.306 122.820 -0.142 0.000 1.877 166 A HA -0.182 4.134 4.320 -0.007 0.000 0.216 166 A C 2.653 180.312 177.584 0.125 0.000 1.186 166 A CA 1.665 53.802 52.037 0.166 0.000 0.620 166 A CB -0.990 18.091 19.000 0.135 0.000 0.822 166 A HN 0.402 nan 8.150 nan 0.000 0.443 167 C N 0.329 119.701 119.300 0.121 0.000 2.429 167 C HA -0.112 4.344 4.460 -0.007 0.000 0.277 167 C C 2.621 177.659 174.990 0.080 0.000 1.262 167 C CA 1.210 60.321 59.018 0.156 0.000 1.733 167 C CB -1.357 26.561 27.740 0.298 0.000 2.010 167 C HN 0.834 nan 8.230 nan 0.000 0.483 168 E N 1.176 121.380 120.200 0.006 0.000 2.418 168 E HA 0.011 4.357 4.350 -0.007 0.000 0.197 168 E C 1.686 178.309 176.600 0.038 0.000 1.026 168 E CA 1.206 57.603 56.400 -0.005 0.000 0.862 168 E CB -0.148 29.507 29.700 -0.074 0.000 0.799 168 E HN 0.628 nan 8.360 nan 0.000 0.518 169 A N 1.019 123.890 122.820 0.084 0.000 2.288 169 A HA 0.301 4.617 4.320 -0.007 0.000 0.216 169 A C 0.768 178.411 177.584 0.098 0.000 1.199 169 A CA -0.195 51.917 52.037 0.124 0.000 0.891 169 A CB 0.374 19.523 19.000 0.249 0.000 0.923 169 A HN 0.154 nan 8.150 nan 0.000 0.500 170 L N 0.731 122.010 121.223 0.093 0.000 2.454 170 L HA 0.323 4.659 4.340 -0.007 0.000 0.258 170 L C -1.966 174.948 176.870 0.073 0.000 1.025 170 L CA -1.606 53.281 54.840 0.078 0.000 0.901 170 L CB 2.139 44.247 42.059 0.081 0.000 1.210 170 L HN 0.017 nan 8.230 nan 0.000 0.457 171 P HA -0.140 nan 4.420 nan 0.000 0.225 171 P C 0.661 177.996 177.300 0.058 0.000 1.148 171 P CA 1.066 64.200 63.100 0.057 0.000 0.779 171 P CB 0.135 31.861 31.700 0.045 0.000 0.780 172 N N 0.175 118.911 118.700 0.060 0.000 2.494 172 N HA -0.071 4.665 4.740 -0.007 0.000 0.182 172 N C 0.843 176.391 175.510 0.063 0.000 1.076 172 N CA 0.074 53.161 53.050 0.062 0.000 0.908 172 N CB -0.820 37.706 38.487 0.066 0.000 0.967 172 N HN 0.241 nan 8.380 nan 0.000 0.449 173 L N 2.756 124.017 121.223 0.063 0.000 2.404 173 L HA 0.095 4.431 4.340 -0.007 0.000 0.277 173 L C 1.275 178.169 176.870 0.040 0.000 1.184 173 L CA -0.375 54.493 54.840 0.047 0.000 1.013 173 L CB 0.565 42.664 42.059 0.067 0.000 1.318 173 L HN -0.015 nan 8.230 nan 0.000 0.435 174 V N 1.074 120.983 119.914 -0.009 0.000 3.129 174 V HA 0.124 4.240 4.120 -0.007 0.000 0.259 174 V C 0.704 176.779 176.094 -0.032 0.000 1.116 174 V CA 0.403 62.695 62.300 -0.013 0.000 1.127 174 V CB -0.636 31.174 31.823 -0.021 0.000 0.742 174 V HN 0.789 nan 8.190 nan 0.000 0.474 175 H N -0.796 118.052 119.070 -0.371 0.000 3.079 175 H HA 0.628 5.180 4.556 -0.007 0.000 0.356 175 H C -2.011 172.991 175.328 -0.543 0.000 1.221 175 H CA -0.763 55.013 56.048 -0.454 0.000 1.185 175 H CB 2.433 31.857 29.762 -0.563 0.000 1.882 175 H HN 0.228 nan 8.280 nan 0.000 0.543 176 I N 2.896 122.668 120.570 -1.330 0.000 2.533 176 I HA 0.184 4.350 4.170 -0.007 0.000 0.290 176 I C -0.494 175.107 176.117 -0.860 0.000 1.056 176 I CA -0.551 60.180 61.300 -0.950 0.000 1.057 176 I CB 2.421 39.800 38.000 -1.035 0.000 1.240 176 I HN 0.445 nan 8.210 nan 0.000 0.423 177 T N 3.493 117.815 114.554 -0.387 0.000 2.791 177 T HA 0.381 4.727 4.350 -0.007 0.000 0.288 177 T C -0.280 174.318 174.700 -0.170 0.000 0.999 177 T CA -0.430 61.561 62.100 -0.181 0.000 0.952 177 T CB 1.218 70.109 68.868 0.038 0.000 0.938 177 T HN 0.471 nan 8.240 nan 0.000 0.444 178 T N 3.218 117.667 114.554 -0.175 0.000 2.771 178 T HA 0.600 4.946 4.350 -0.007 0.000 0.281 178 T C -0.216 174.436 174.700 -0.080 0.000 0.982 178 T CA -0.588 61.429 62.100 -0.138 0.000 0.978 178 T CB 1.122 69.900 68.868 -0.150 0.000 0.930 178 T HN 0.323 nan 8.240 nan 0.000 0.447 179 V N 1.939 121.816 119.914 -0.062 0.000 2.656 179 V HA 0.801 4.917 4.120 -0.007 0.000 0.307 179 V C 0.966 177.017 176.094 -0.072 0.000 1.051 179 V CA -0.267 61.995 62.300 -0.062 0.000 0.893 179 V CB 1.314 33.099 31.823 -0.064 0.000 0.999 179 V HN 1.161 nan 8.190 nan 0.000 0.426 180 G N 3.640 112.402 108.800 -0.064 0.000 2.192 180 G HA2 -0.152 3.804 3.960 -0.007 0.000 0.193 180 G HA3 -0.152 3.804 3.960 -0.007 0.000 0.193 180 G C 0.022 174.908 174.900 -0.024 0.000 0.999 180 G CA -0.407 44.652 45.100 -0.068 0.000 0.659 180 G HN 0.579 nan 8.290 nan 0.000 0.503 181 L N 1.375 122.605 121.223 0.012 0.000 2.578 181 L HA 0.402 4.738 4.340 -0.007 0.000 0.279 181 L C 1.204 178.157 176.870 0.140 0.000 1.227 181 L CA 0.789 55.697 54.840 0.112 0.000 0.900 181 L CB 0.182 42.296 42.059 0.093 0.000 1.144 181 L HN 0.662 nan 8.230 nan 0.000 0.496 182 R N 2.038 122.696 120.500 0.263 0.000 2.741 182 R HA 0.814 5.150 4.340 -0.007 0.000 0.276 182 R C -0.659 175.745 176.300 0.174 0.000 1.028 182 R CA -0.516 55.709 56.100 0.209 0.000 0.865 182 R CB 1.644 31.980 30.300 0.060 0.000 1.268 182 R HN 0.727 nan 8.270 nan 0.000 0.475 183 G N -0.172 108.719 108.800 0.152 0.000 2.392 183 G HA2 0.028 3.984 3.960 -0.007 0.000 0.677 183 G HA3 0.028 3.984 3.960 -0.007 0.000 0.677 183 G C -0.202 174.770 174.900 0.121 0.000 1.334 183 G CA -0.443 44.678 45.100 0.034 0.000 0.961 183 G HN 0.454 nan 8.290 nan 0.000 0.616 184 L N -0.569 120.680 121.223 0.042 0.000 2.418 184 L HA 0.279 4.615 4.340 -0.007 0.000 0.218 184 L C 1.650 178.572 176.870 0.086 0.000 1.125 184 L CA 0.675 55.558 54.840 0.071 0.000 0.835 184 L CB -0.001 42.078 42.059 0.033 0.000 0.953 184 L HN 0.476 nan 8.230 nan 0.000 0.454 185 R N -0.140 120.351 120.500 -0.015 0.000 2.621 185 R HA 0.530 4.866 4.340 -0.007 0.000 0.292 185 R C -1.844 174.321 176.300 -0.225 0.000 0.969 185 R CA -0.495 55.591 56.100 -0.023 0.000 0.887 185 R CB 1.728 31.995 30.300 -0.054 0.000 1.180 185 R HN -0.208 nan 8.270 nan 0.000 0.450 186 F N 0.972 120.941 119.950 0.031 0.000 2.591 186 F HA 0.179 4.702 4.527 -0.007 0.000 0.309 186 F C -0.150 175.671 175.800 0.034 0.000 1.098 186 F CA -0.907 57.117 58.000 0.040 0.000 0.937 186 F CB 1.836 40.853 39.000 0.027 0.000 1.250 186 F HN 0.401 nan 8.300 nan 0.000 0.447 187 D N 5.114 125.633 120.400 0.198 0.000 2.346 187 D HA 0.115 4.751 4.640 -0.007 0.000 0.260 187 D C -1.445 174.935 176.300 0.134 0.000 1.252 187 D CA -1.951 52.124 54.000 0.125 0.000 0.895 187 D CB 1.281 42.141 40.800 0.100 0.000 1.097 187 D HN 0.169 nan 8.370 nan 0.000 0.489 188 P HA -0.178 nan 4.420 nan 0.000 0.216 188 P C 1.105 178.439 177.300 0.057 0.000 1.150 188 P CA 0.747 63.889 63.100 0.070 0.000 0.837 188 P CB 0.501 32.229 31.700 0.047 0.000 0.786 189 E N 0.519 120.750 120.200 0.051 0.000 2.072 189 E HA -0.115 4.231 4.350 -0.007 0.000 0.191 189 E C 2.036 178.682 176.600 0.078 0.000 0.985 189 E CA 1.265 57.690 56.400 0.042 0.000 0.801 189 E CB -0.500 29.211 29.700 0.018 0.000 0.750 189 E HN 0.104 nan 8.360 nan 0.000 0.452 190 A N 0.710 123.596 122.820 0.111 0.000 1.873 190 A HA -0.114 4.202 4.320 -0.007 0.000 0.215 190 A C 2.579 180.295 177.584 0.219 0.000 1.186 190 A CA 1.543 53.705 52.037 0.208 0.000 0.616 190 A CB -0.734 18.391 19.000 0.208 0.000 0.823 190 A HN 0.179 nan 8.150 nan 0.000 0.442 191 V N -0.055 119.939 119.914 0.132 0.000 2.295 191 V HA -0.260 3.856 4.120 -0.007 0.000 0.246 191 V C 3.072 179.169 176.094 0.005 0.000 1.049 191 V CA 2.005 64.336 62.300 0.052 0.000 1.024 191 V CB -1.277 30.561 31.823 0.025 0.000 0.648 191 V HN 0.615 nan 8.190 nan 0.000 0.447 192 A N -0.050 122.784 122.820 0.023 0.000 1.902 192 A HA -0.132 4.184 4.320 -0.007 0.000 0.217 192 A C 2.417 180.001 177.584 -0.000 0.000 1.181 192 A CA 2.166 54.203 52.037 0.000 0.000 0.623 192 A CB -0.789 18.216 19.000 0.008 0.000 0.818 192 A HN 0.582 nan 8.150 nan 0.000 0.443 193 A N -0.221 122.638 122.820 0.065 0.000 1.902 193 A HA 0.180 4.496 4.320 -0.007 0.000 0.217 193 A C 2.500 180.088 177.584 0.007 0.000 1.181 193 A CA 2.043 54.151 52.037 0.119 0.000 0.623 193 A CB -0.972 18.189 19.000 0.268 0.000 0.818 193 A HN 1.026 nan 8.150 nan 0.000 0.443 194 A N -0.098 122.622 122.820 -0.167 0.000 1.877 194 A HA -0.156 4.160 4.320 -0.007 0.000 0.216 194 A C 2.245 179.556 177.584 -0.455 0.000 1.186 194 A CA 1.495 53.123 52.037 -0.683 0.000 0.620 194 A CB -0.474 18.159 19.000 -0.612 0.000 0.822 194 A HN 0.538 nan 8.150 nan 0.000 0.443 195 R N -0.539 119.825 120.500 -0.226 0.000 2.120 195 R HA -0.053 4.283 4.340 -0.007 0.000 0.234 195 R C 2.383 178.603 176.300 -0.134 0.000 1.123 195 R CA 1.061 57.073 56.100 -0.148 0.000 0.975 195 R CB -0.441 29.804 30.300 -0.092 0.000 0.866 195 R HN 0.515 nan 8.270 nan 0.000 0.446 196 A N 1.289 124.033 122.820 -0.127 0.000 1.972 196 A HA -0.136 4.180 4.320 -0.007 0.000 0.219 196 A C 1.832 179.346 177.584 -0.117 0.000 1.169 196 A CA 1.069 53.051 52.037 -0.091 0.000 0.635 196 A CB -0.223 18.743 19.000 -0.057 0.000 0.810 196 A HN 0.219 nan 8.150 nan 0.000 0.446 197 R N -1.415 118.944 120.500 -0.234 0.000 2.310 197 R HA 0.196 4.532 4.340 -0.007 0.000 0.202 197 R C 1.222 177.432 176.300 -0.151 0.000 0.933 197 R CA 0.528 56.472 56.100 -0.260 0.000 1.054 197 R CB -0.059 29.916 30.300 -0.540 0.000 0.985 197 R HN 0.674 nan 8.270 nan 0.000 0.489 198 G N 1.287 110.021 108.800 -0.109 0.000 2.159 198 G HA2 -0.253 3.703 3.960 -0.007 0.000 0.256 198 G HA3 -0.253 3.703 3.960 -0.007 0.000 0.256 198 G C -0.151 174.839 174.900 0.150 0.000 0.977 198 G CA -0.044 45.080 45.100 0.040 0.000 0.652 198 G HN 0.355 nan 8.290 nan 0.000 0.531 199 H N 0.753 119.708 119.070 -0.192 0.000 2.852 199 H HA 0.446 4.998 4.556 -0.006 0.000 0.362 199 H C 0.803 175.979 175.328 -0.255 0.000 1.122 199 H CA 0.929 56.718 56.048 -0.431 0.000 1.419 199 H CB 0.458 29.897 29.762 -0.538 0.000 1.401 199 H HN 0.135 nan 8.280 nan 0.000 0.609 200 T N 3.656 118.107 114.554 -0.172 0.000 2.767 200 T HA 0.481 4.827 4.350 -0.007 0.000 0.284 200 T C 0.686 175.327 174.700 -0.098 0.000 0.973 200 T CA -0.563 61.520 62.100 -0.028 0.000 0.996 200 T CB 0.423 69.356 68.868 0.109 0.000 0.927 200 T HN 0.313 nan 8.240 nan 0.000 0.456 201 I N 4.367 124.888 120.570 -0.081 0.000 2.382 201 I HA 0.427 4.593 4.170 -0.007 0.000 0.285 201 I C -0.443 175.623 176.117 -0.083 0.000 1.007 201 I CA -0.611 60.629 61.300 -0.099 0.000 1.142 201 I CB 1.232 39.159 38.000 -0.121 0.000 1.289 201 I HN 0.477 nan 8.210 nan 0.000 0.453 202 I N 8.369 128.895 120.570 -0.074 0.000 2.405 202 I HA 0.332 4.498 4.170 -0.007 0.000 0.280 202 I C -2.380 173.697 176.117 -0.066 0.000 1.027 202 I CA -1.949 59.313 61.300 -0.063 0.000 1.161 202 I CB 1.149 39.121 38.000 -0.046 0.000 1.300 202 I HN 0.191 nan 8.210 nan 0.000 0.463 203 P HA 0.074 nan 4.420 nan 0.000 0.269 203 P C 0.725 177.996 177.300 -0.048 0.000 1.215 203 P CA -0.387 62.669 63.100 -0.073 0.000 0.780 203 P CB 0.669 32.311 31.700 -0.096 0.000 0.898 204 M N 2.150 121.730 119.600 -0.033 0.000 2.202 204 M HA -0.190 4.286 4.480 -0.007 0.000 0.262 204 M C 0.997 177.281 176.300 -0.026 0.000 1.063 204 M CA 1.893 57.175 55.300 -0.031 0.000 1.097 204 M CB -1.163 31.425 32.600 -0.020 0.000 1.382 204 M HN 0.232 nan 8.290 nan 0.000 0.413 205 D N 0.292 120.678 120.400 -0.024 0.000 2.149 205 D HA -0.172 4.464 4.640 -0.007 0.000 0.198 205 D C 1.498 177.784 176.300 -0.023 0.000 0.990 205 D CA 1.562 55.549 54.000 -0.020 0.000 0.839 205 D CB -0.429 40.358 40.800 -0.023 0.000 0.948 205 D HN 0.443 nan 8.370 nan 0.000 0.460 206 D N -0.158 120.223 120.400 -0.031 0.000 2.144 206 D HA -0.088 4.548 4.640 -0.007 0.000 0.200 206 D C 2.271 178.556 176.300 -0.025 0.000 0.978 206 D CA 0.298 54.281 54.000 -0.029 0.000 0.833 206 D CB -0.172 40.607 40.800 -0.035 0.000 0.961 206 D HN 0.060 nan 8.370 nan 0.000 0.470 207 V N 0.588 120.485 119.914 -0.028 0.000 2.343 207 V HA -0.224 3.892 4.120 -0.007 0.000 0.247 207 V C 2.371 178.455 176.094 -0.017 0.000 1.051 207 V CA 1.901 64.185 62.300 -0.026 0.000 1.036 207 V CB -0.747 31.054 31.823 -0.037 0.000 0.654 207 V HN 0.243 nan 8.190 nan 0.000 0.451 208 T N 0.337 114.883 114.554 -0.014 0.000 2.737 208 T HA -0.089 4.257 4.350 -0.007 0.000 0.265 208 T C 2.085 176.782 174.700 -0.005 0.000 1.038 208 T CA 1.534 63.631 62.100 -0.006 0.000 1.144 208 T CB -0.395 68.472 68.868 -0.003 0.000 0.866 208 T HN 0.553 nan 8.240 nan 0.000 0.434 209 A N 0.874 123.689 122.820 -0.009 0.000 1.902 209 A HA 0.026 4.341 4.320 -0.007 0.000 0.217 209 A C 1.105 178.685 177.584 -0.007 0.000 1.181 209 A CA 1.445 53.477 52.037 -0.008 0.000 0.623 209 A CB -0.106 18.887 19.000 -0.011 0.000 0.818 209 A HN 0.490 nan 8.150 nan 0.000 0.443 210 D N -1.771 118.624 120.400 -0.010 0.000 2.362 210 D HA 0.146 4.782 4.640 -0.007 0.000 0.232 210 D C 0.389 176.682 176.300 -0.010 0.000 1.329 210 D CA -0.510 53.485 54.000 -0.009 0.000 0.944 210 D CB 0.140 40.935 40.800 -0.009 0.000 1.471 210 D HN -0.032 nan 8.370 nan 0.000 0.533 211 L N 2.883 124.101 121.223 -0.009 0.000 2.131 211 L HA -0.014 4.321 4.340 -0.007 0.000 0.210 211 L C 1.703 178.567 176.870 -0.010 0.000 1.092 211 L CA 2.377 57.211 54.840 -0.011 0.000 0.759 211 L CB -0.970 41.085 42.059 -0.007 0.000 0.903 211 L HN 0.506 nan 8.230 nan 0.000 0.435 212 A N -0.088 122.728 122.820 -0.007 0.000 1.902 212 A HA -0.111 4.205 4.320 -0.007 0.000 0.217 212 A C 2.360 179.939 177.584 -0.008 0.000 1.181 212 A CA 1.516 53.549 52.037 -0.006 0.000 0.623 212 A CB -1.234 17.764 19.000 -0.004 0.000 0.818 212 A HN 0.496 nan 8.150 nan 0.000 0.443 213 G N -0.792 108.002 108.800 -0.009 0.000 2.422 213 G HA2 -0.042 3.914 3.960 -0.007 0.000 0.218 213 G HA3 -0.042 3.914 3.960 -0.007 0.000 0.218 213 G C 1.453 176.347 174.900 -0.011 0.000 1.140 213 G CA 1.167 46.261 45.100 -0.010 0.000 0.775 213 G HN 0.314 nan 8.290 nan 0.000 0.545 214 V N 0.998 120.904 119.914 -0.013 0.000 2.283 214 V HA -0.083 4.033 4.120 -0.007 0.000 0.243 214 V C 2.883 178.971 176.094 -0.009 0.000 1.039 214 V CA 1.308 63.600 62.300 -0.014 0.000 1.016 214 V CB -0.468 31.342 31.823 -0.021 0.000 0.650 214 V HN 0.340 nan 8.190 nan 0.000 0.449 215 L N 0.416 121.633 121.223 -0.010 0.000 2.127 215 L HA -0.186 4.150 4.340 -0.007 0.000 0.211 215 L C 2.629 179.495 176.870 -0.006 0.000 1.089 215 L CA 1.551 56.387 54.840 -0.007 0.000 0.757 215 L CB -0.836 41.217 42.059 -0.009 0.000 0.899 215 L HN 0.387 nan 8.230 nan 0.000 0.434 216 A N -0.567 122.248 122.820 -0.008 0.000 2.121 216 A HA -0.176 4.140 4.320 -0.007 0.000 0.218 216 A C 2.100 179.679 177.584 -0.008 0.000 1.154 216 A CA 1.112 53.143 52.037 -0.009 0.000 0.679 216 A CB -0.272 18.722 19.000 -0.010 0.000 0.795 216 A HN 0.539 nan 8.150 nan 0.000 0.458 217 Q N -0.572 119.227 119.800 -0.003 0.000 2.392 217 Q HA 0.264 4.600 4.340 -0.007 0.000 0.203 217 Q C -0.149 175.861 176.000 0.017 0.000 0.917 217 Q CA -0.222 55.584 55.803 0.004 0.000 0.939 217 Q CB 0.080 28.823 28.738 0.009 0.000 1.063 217 Q HN 0.578 nan 8.270 nan 0.000 0.516 218 L N 3.031 124.262 121.223 0.014 0.000 2.452 218 L HA 0.204 4.540 4.340 -0.007 0.000 0.267 218 L C -1.780 175.092 176.870 0.003 0.000 1.188 218 L CA -1.824 53.032 54.840 0.027 0.000 0.821 218 L CB -0.159 41.916 42.059 0.028 0.000 1.102 218 L HN -0.027 nan 8.230 nan 0.000 0.470 219 P HA 0.193 nan 4.420 nan 0.000 0.272 219 P C -1.182 176.063 177.300 -0.092 0.000 1.230 219 P CA -0.303 62.756 63.100 -0.068 0.000 0.788 219 P CB 0.769 32.407 31.700 -0.104 0.000 0.949 220 R N -0.094 120.333 120.500 -0.121 0.000 2.575 220 R HA 0.500 4.836 4.340 -0.007 0.000 0.293 220 R C 0.424 176.650 176.300 -0.123 0.000 0.983 220 R CA -0.333 55.708 56.100 -0.099 0.000 0.887 220 R CB 1.611 31.871 30.300 -0.068 0.000 1.184 220 R HN 0.802 nan 8.270 nan 0.000 0.445 221 G N 2.017 110.753 108.800 -0.106 0.000 2.283 221 G HA2 -0.261 3.695 3.960 -0.007 0.000 0.280 221 G HA3 -0.261 3.695 3.960 -0.007 0.000 0.280 221 G C -0.053 174.762 174.900 -0.142 0.000 1.029 221 G CA 0.268 45.307 45.100 -0.101 0.000 0.840 221 G HN 0.381 nan 8.290 nan 0.000 0.505 222 Q N -0.541 119.135 119.800 -0.208 0.000 2.306 222 Q HA 0.393 4.729 4.340 -0.007 0.000 0.269 222 Q C -0.004 175.884 176.000 -0.187 0.000 1.053 222 Q CA -0.987 54.641 55.803 -0.291 0.000 0.879 222 Q CB 0.723 29.051 28.738 -0.683 0.000 1.344 222 Q HN 0.264 nan 8.270 nan 0.000 0.464 223 N N 0.497 119.124 118.700 -0.121 0.000 2.406 223 N HA 0.261 4.997 4.740 -0.007 0.000 0.251 223 N C -0.940 174.546 175.510 -0.040 0.000 1.069 223 N CA 0.008 53.032 53.050 -0.042 0.000 0.947 223 N CB 1.101 39.610 38.487 0.036 0.000 1.111 223 N HN 0.154 nan 8.380 nan 0.000 0.497 224 V N 3.225 123.067 119.914 -0.121 0.000 2.555 224 V HA 0.290 4.406 4.120 -0.007 0.000 0.302 224 V C -0.743 175.198 176.094 -0.255 0.000 1.038 224 V CA -0.855 61.328 62.300 -0.195 0.000 0.887 224 V CB 1.521 33.113 31.823 -0.385 0.000 0.991 224 V HN 0.504 nan 8.190 nan 0.000 0.434 225 Y N 4.657 124.775 120.300 -0.303 0.000 2.328 225 Y HA 0.619 5.166 4.550 -0.005 0.000 0.337 225 Y C -0.753 175.035 175.900 -0.185 0.000 0.966 225 Y CA -0.875 57.062 58.100 -0.272 0.000 1.136 225 Y CB 1.217 39.511 38.460 -0.277 0.000 1.170 225 Y HN 0.544 nan 8.280 nan 0.000 0.470 226 F N 4.057 123.803 119.950 -0.339 0.000 2.404 226 F HA 0.380 4.903 4.527 -0.007 0.000 0.345 226 F C 0.434 176.124 175.800 -0.183 0.000 1.110 226 F CA -0.459 57.437 58.000 -0.174 0.000 1.130 226 F CB 1.506 40.422 39.000 -0.139 0.000 1.129 226 F HN 0.425 nan 8.300 nan 0.000 0.500 227 S N 3.685 119.576 115.700 0.319 0.000 2.733 227 S HA 0.542 5.008 4.470 -0.007 0.000 0.307 227 S C -1.144 173.622 174.600 0.276 0.000 1.127 227 S CA -0.586 57.848 58.200 0.389 0.000 1.097 227 S CB 0.665 64.314 63.200 0.748 0.000 1.003 227 S HN 0.346 nan 8.310 nan 0.000 0.477 228 V N 5.147 125.159 119.914 0.164 0.000 2.328 228 V HA 0.390 4.506 4.120 -0.007 0.000 0.278 228 V C -0.119 176.019 176.094 0.073 0.000 1.021 228 V CA -0.828 61.540 62.300 0.114 0.000 0.838 228 V CB 1.336 33.219 31.823 0.100 0.000 0.999 228 V HN 0.819 nan 8.190 nan 0.000 0.447 229 D N 3.951 124.400 120.400 0.082 0.000 2.313 229 D HA 0.158 4.794 4.640 -0.007 0.000 0.239 229 D C 1.135 177.532 176.300 0.161 0.000 1.142 229 D CA -0.347 53.683 54.000 0.050 0.000 0.847 229 D CB 2.175 43.075 40.800 0.167 0.000 1.082 229 D HN 0.386 nan 8.370 nan 0.000 0.480 230 V N 2.088 122.118 119.914 0.192 0.000 2.688 230 V HA -0.205 3.911 4.120 -0.007 0.000 0.256 230 V C 1.277 177.565 176.094 0.323 0.000 1.084 230 V CA 1.949 64.441 62.300 0.320 0.000 1.103 230 V CB -0.758 31.188 31.823 0.205 0.000 0.688 230 V HN 0.551 nan 8.190 nan 0.000 0.480 231 D N 1.082 121.618 120.400 0.228 0.000 2.378 231 D HA 0.070 4.706 4.640 -0.007 0.000 0.227 231 D C 1.934 178.320 176.300 0.143 0.000 1.012 231 D CA 0.986 55.113 54.000 0.211 0.000 0.905 231 D CB -0.493 40.457 40.800 0.250 0.000 0.895 231 D HN 0.458 nan 8.370 nan 0.000 0.532 232 G N -0.708 108.138 108.800 0.076 0.000 2.448 232 G HA2 -0.032 3.924 3.960 -0.007 0.000 0.218 232 G HA3 -0.032 3.924 3.960 -0.007 0.000 0.218 232 G C 0.313 175.087 174.900 -0.210 0.000 1.135 232 G CA -0.130 44.902 45.100 -0.113 0.000 0.784 232 G HN 0.218 nan 8.290 nan 0.000 0.543 233 F N 0.812 120.785 119.950 0.038 0.000 2.406 233 F HA 0.243 4.766 4.527 -0.006 0.000 0.327 233 F C 0.871 176.698 175.800 0.045 0.000 1.153 233 F CA -1.091 56.930 58.000 0.034 0.000 1.218 233 F CB 0.641 39.665 39.000 0.040 0.000 1.215 233 F HN -0.110 nan 8.300 nan 0.000 0.570 234 D N 2.739 123.279 120.400 0.235 0.000 2.455 234 D HA 0.008 4.644 4.640 -0.007 0.000 0.241 234 D C -1.766 174.624 176.300 0.150 0.000 1.138 234 D CA -1.102 52.987 54.000 0.148 0.000 0.877 234 D CB 1.485 42.358 40.800 0.122 0.000 1.187 234 D HN 0.180 nan 8.370 nan 0.000 0.451 235 P HA -0.063 nan 4.420 nan 0.000 0.225 235 P C 0.689 178.038 177.300 0.082 0.000 1.148 235 P CA 0.857 64.018 63.100 0.102 0.000 0.779 235 P CB 0.203 31.957 31.700 0.090 0.000 0.780 236 A N -0.861 122.005 122.820 0.077 0.000 1.968 236 A HA -0.074 4.241 4.320 -0.007 0.000 0.217 236 A C 2.160 179.779 177.584 0.058 0.000 1.169 236 A CA 1.401 53.473 52.037 0.060 0.000 0.638 236 A CB -1.318 17.715 19.000 0.055 0.000 0.812 236 A HN 0.051 nan 8.150 nan 0.000 0.446 237 V N -0.162 119.799 119.914 0.079 0.000 2.374 237 V HA 0.051 4.167 4.120 -0.007 0.000 0.241 237 V C 0.676 176.800 176.094 0.050 0.000 1.034 237 V CA 0.915 63.256 62.300 0.069 0.000 1.037 237 V CB -0.229 31.660 31.823 0.111 0.000 0.682 237 V HN 0.423 nan 8.190 nan 0.000 0.463 238 I N 2.338 122.956 120.570 0.080 0.000 2.621 238 I HA 0.258 4.424 4.170 -0.007 0.000 0.276 238 I C -1.825 174.342 176.117 0.084 0.000 1.118 238 I CA -1.921 59.418 61.300 0.066 0.000 1.159 238 I CB 0.873 38.917 38.000 0.074 0.000 1.357 238 I HN 0.203 nan 8.210 nan 0.000 0.513 239 P HA -0.022 nan 4.420 nan 0.000 0.229 239 P C 0.973 178.306 177.300 0.056 0.000 1.160 239 P CA 0.585 63.721 63.100 0.061 0.000 0.777 239 P CB 0.513 32.240 31.700 0.045 0.000 0.814 240 G N 0.032 108.863 108.800 0.052 0.000 3.008 240 G HA2 0.257 4.213 3.960 -0.007 0.000 0.272 240 G HA3 0.257 4.213 3.960 -0.007 0.000 0.272 240 G C -0.427 174.510 174.900 0.062 0.000 0.764 240 G CA 0.259 45.388 45.100 0.047 0.000 2.029 240 G HN 0.234 nan 8.290 nan 0.000 0.587 241 T N -0.386 114.205 114.554 0.062 0.000 2.885 241 T HA 0.362 4.708 4.350 -0.007 0.000 0.322 241 T C 1.337 176.071 174.700 0.057 0.000 1.387 241 T CA 0.232 62.377 62.100 0.077 0.000 1.041 241 T CB 1.557 70.496 68.868 0.118 0.000 1.287 241 T HN 0.165 nan 8.240 nan 0.000 0.491 242 S N 1.876 117.606 115.700 0.051 0.000 2.353 242 S HA -0.017 4.449 4.470 -0.007 0.000 0.222 242 S C 0.801 175.487 174.600 0.144 0.000 1.035 242 S CA 1.656 59.865 58.200 0.016 0.000 1.025 242 S CB -0.180 63.047 63.200 0.044 0.000 0.902 242 S HN 0.660 nan 8.310 nan 0.000 0.440 243 S N 3.225 119.055 115.700 0.218 0.000 2.150 243 S HA 0.422 4.888 4.470 -0.007 0.000 0.171 243 S C -2.653 172.107 174.600 0.268 0.000 1.620 243 S CA -1.090 57.288 58.200 0.298 0.000 1.190 243 S CB 1.585 64.926 63.200 0.235 0.000 1.102 243 S HN 0.519 nan 8.310 nan 0.000 0.464 244 P HA 0.434 nan 4.420 nan 0.000 0.275 244 P C -0.561 176.822 177.300 0.138 0.000 1.228 244 P CA -0.252 62.948 63.100 0.167 0.000 0.786 244 P CB 0.841 32.621 31.700 0.133 0.000 0.927 245 E N 2.594 122.850 120.200 0.095 0.000 2.256 245 E HA 0.413 4.759 4.350 -0.007 0.000 0.268 245 E C -2.451 174.176 176.600 0.046 0.000 0.877 245 E CA -2.807 53.621 56.400 0.047 0.000 0.757 245 E CB 1.420 31.104 29.700 -0.027 0.000 1.183 245 E HN 0.301 nan 8.360 nan 0.000 0.418 246 P HA 0.078 nan 4.420 nan 0.000 0.271 246 P C -0.843 176.478 177.300 0.036 0.000 1.233 246 P CA 0.100 63.226 63.100 0.043 0.000 0.789 246 P CB 0.397 32.121 31.700 0.040 0.000 0.951 247 D N -0.940 119.483 120.400 0.039 0.000 2.828 247 D HA -0.118 4.518 4.640 -0.007 0.000 0.241 247 D C 0.723 177.038 176.300 0.026 0.000 1.142 247 D CA 1.254 55.273 54.000 0.033 0.000 0.755 247 D CB -1.555 39.260 40.800 0.026 0.000 1.014 247 D HN 0.641 nan 8.370 nan 0.000 0.420 248 G N -0.564 108.258 108.800 0.037 0.000 2.828 248 G HA2 0.675 4.631 3.960 -0.007 0.000 0.244 248 G HA3 0.675 4.631 3.960 -0.007 0.000 0.244 248 G C 0.305 175.216 174.900 0.018 0.000 1.365 248 G CA -0.948 44.163 45.100 0.018 0.000 1.041 248 G HN 0.204 nan 8.290 nan 0.000 0.560 249 L N 1.005 122.207 121.223 -0.035 0.000 2.426 249 L HA 0.287 4.623 4.340 -0.007 0.000 0.271 249 L C 1.380 178.348 176.870 0.164 0.000 1.169 249 L CA -0.546 54.273 54.840 -0.035 0.000 0.836 249 L CB 0.866 42.744 42.059 -0.302 0.000 1.112 249 L HN 0.682 nan 8.230 nan 0.000 0.465 250 T N -1.534 113.120 114.554 0.166 0.000 2.816 250 T HA 0.065 4.411 4.350 -0.007 0.000 0.282 250 T C 0.900 175.826 174.700 0.376 0.000 0.993 250 T CA -0.314 61.928 62.100 0.237 0.000 0.994 250 T CB 0.647 69.609 68.868 0.156 0.000 1.025 250 T HN 0.535 nan 8.240 nan 0.000 0.529 251 Y N 1.512 121.937 120.300 0.208 0.000 2.128 251 Y HA -0.093 4.453 4.550 -0.007 0.000 0.284 251 Y C 2.712 178.719 175.900 0.178 0.000 1.154 251 Y CA 2.233 60.417 58.100 0.140 0.000 1.149 251 Y CB -0.975 37.453 38.460 -0.053 0.000 0.976 251 Y HN 0.819 nan 8.280 nan 0.000 0.505 252 A N 0.195 123.208 122.820 0.322 0.000 1.917 252 A HA -0.303 4.013 4.320 -0.007 0.000 0.219 252 A C 2.095 179.729 177.584 0.084 0.000 1.182 252 A CA 2.180 54.335 52.037 0.197 0.000 0.633 252 A CB -0.837 18.257 19.000 0.156 0.000 0.819 252 A HN 0.706 nan 8.150 nan 0.000 0.448 253 Q N -1.022 118.826 119.800 0.079 0.000 2.046 253 Q HA -0.081 4.255 4.340 -0.007 0.000 0.200 253 Q C 2.286 178.267 176.000 -0.031 0.000 0.975 253 Q CA 1.192 57.006 55.803 0.019 0.000 0.836 253 Q CB -0.469 28.274 28.738 0.008 0.000 0.896 253 Q HN 0.685 nan 8.270 nan 0.000 0.428 254 G N 0.755 109.543 108.800 -0.021 0.000 2.418 254 G HA2 -0.290 3.666 3.960 -0.007 0.000 0.217 254 G HA3 -0.290 3.666 3.960 -0.007 0.000 0.217 254 G C 1.368 176.209 174.900 -0.098 0.000 1.158 254 G CA 0.973 46.002 45.100 -0.117 0.000 0.771 254 G HN 0.185 nan 8.290 nan 0.000 0.545 255 M N 0.514 120.043 119.600 -0.118 0.000 2.175 255 M HA 0.152 4.628 4.480 -0.007 0.000 0.264 255 M C 2.328 178.575 176.300 -0.087 0.000 1.063 255 M CA 1.315 56.520 55.300 -0.158 0.000 1.119 255 M CB -0.253 32.234 32.600 -0.187 0.000 1.377 255 M HN 0.126 nan 8.290 nan 0.000 0.415 256 K N -0.434 119.937 120.400 -0.048 0.000 2.097 256 K HA -0.084 4.232 4.320 -0.007 0.000 0.206 256 K C 1.897 178.469 176.600 -0.047 0.000 1.049 256 K CA 1.507 57.776 56.287 -0.031 0.000 0.933 256 K CB -0.296 32.197 32.500 -0.011 0.000 0.717 256 K HN 0.384 nan 8.250 nan 0.000 0.442 257 I N 1.030 121.562 120.570 -0.064 0.000 2.202 257 I HA -0.287 3.879 4.170 -0.007 0.000 0.242 257 I C 2.190 178.263 176.117 -0.073 0.000 1.091 257 I CA 1.201 62.465 61.300 -0.060 0.000 1.368 257 I CB -0.240 37.714 38.000 -0.077 0.000 1.058 257 I HN 0.110 nan 8.210 nan 0.000 0.410 258 L N 0.506 121.628 121.223 -0.168 0.000 2.046 258 L HA -0.200 4.136 4.340 -0.007 0.000 0.208 258 L C 2.844 179.610 176.870 -0.173 0.000 1.077 258 L CA 1.317 55.953 54.840 -0.341 0.000 0.747 258 L CB -0.708 41.055 42.059 -0.493 0.000 0.896 258 L HN 0.252 nan 8.230 nan 0.000 0.432 259 A N -0.009 122.748 122.820 -0.104 0.000 1.902 259 A HA -0.153 4.163 4.320 -0.007 0.000 0.217 259 A C 2.536 180.087 177.584 -0.054 0.000 1.181 259 A CA 1.687 53.692 52.037 -0.054 0.000 0.623 259 A CB -0.678 18.302 19.000 -0.033 0.000 0.818 259 A HN 0.395 nan 8.150 nan 0.000 0.443 260 A N -0.111 122.686 122.820 -0.039 0.000 1.877 260 A HA 0.158 4.474 4.320 -0.007 0.000 0.216 260 A C 2.514 180.092 177.584 -0.010 0.000 1.186 260 A CA 2.150 54.164 52.037 -0.039 0.000 0.620 260 A CB -1.048 17.939 19.000 -0.021 0.000 0.822 260 A HN 1.066 nan 8.150 nan 0.000 0.443 261 A N -0.267 122.597 122.820 0.073 0.000 1.930 261 A HA 0.196 4.512 4.320 -0.007 0.000 0.217 261 A C 2.467 180.155 177.584 0.174 0.000 1.175 261 A CA 1.956 54.087 52.037 0.156 0.000 0.627 261 A CB -0.918 18.297 19.000 0.359 0.000 0.815 261 A HN 1.046 nan 8.150 nan 0.000 0.443 262 A N -0.282 122.682 122.820 0.240 0.000 1.930 262 A HA 0.213 4.529 4.320 -0.007 0.000 0.217 262 A C 2.354 179.935 177.584 -0.006 0.000 1.175 262 A CA 1.835 53.986 52.037 0.189 0.000 0.627 262 A CB -0.741 18.370 19.000 0.185 0.000 0.815 262 A HN 1.036 nan 8.150 nan 0.000 0.443 263 A N -0.655 122.065 122.820 -0.168 0.000 2.123 263 A HA 0.020 4.336 4.320 -0.007 0.000 0.214 263 A C 1.376 178.867 177.584 -0.154 0.000 1.152 263 A CA 1.041 52.841 52.037 -0.394 0.000 0.728 263 A CB -0.187 18.312 19.000 -0.835 0.000 0.814 263 A HN 0.486 nan 8.150 nan 0.000 0.464 264 N N 0.277 118.924 118.700 -0.087 0.000 2.187 264 N HA 0.130 4.866 4.740 -0.007 0.000 0.212 264 N C -0.590 174.883 175.510 -0.060 0.000 1.152 264 N CA 0.068 53.083 53.050 -0.058 0.000 0.872 264 N CB 0.358 38.813 38.487 -0.053 0.000 1.025 264 N HN 0.450 nan 8.380 nan 0.000 0.514 265 N N -0.606 118.056 118.700 -0.063 0.000 2.853 265 N HA 0.242 4.978 4.740 -0.007 0.000 0.258 265 N C -1.077 174.380 175.510 -0.087 0.000 1.444 265 N CA -0.300 52.695 53.050 -0.092 0.000 0.837 265 N CB 1.312 39.718 38.487 -0.135 0.000 1.489 265 N HN -0.280 nan 8.380 nan 0.000 0.529 266 T N 1.011 115.506 114.554 -0.099 0.000 2.762 266 T HA 0.282 4.628 4.350 -0.007 0.000 0.303 266 T C 0.166 174.799 174.700 -0.112 0.000 0.977 266 T CA -0.398 61.650 62.100 -0.087 0.000 0.961 266 T CB 0.239 69.072 68.868 -0.059 0.000 0.944 266 T HN 0.129 nan 8.240 nan 0.000 0.481 267 V N 5.304 125.141 119.914 -0.129 0.000 2.427 267 V HA 0.101 4.216 4.120 -0.007 0.000 0.268 267 V C 1.442 177.494 176.094 -0.070 0.000 1.046 267 V CA -0.189 62.012 62.300 -0.165 0.000 0.970 267 V CB 0.821 32.574 31.823 -0.117 0.000 1.001 267 V HN 0.852 nan 8.190 nan 0.000 0.476 268 V N 1.957 121.864 119.914 -0.012 0.000 3.660 268 V HA 0.746 4.862 4.120 -0.007 0.000 0.276 268 V C 0.734 177.002 176.094 0.290 0.000 1.317 268 V CA 0.813 63.213 62.300 0.167 0.000 1.097 268 V CB -0.172 31.827 31.823 0.293 0.000 0.863 268 V HN 1.023 nan 8.190 nan 0.000 0.438 269 G N -0.370 108.470 108.800 0.065 0.000 2.328 269 G HA2 0.532 4.488 3.960 -0.007 0.000 0.295 269 G HA3 0.532 4.488 3.960 -0.007 0.000 0.295 269 G C -2.095 172.586 174.900 -0.364 0.000 1.413 269 G CA -0.124 44.973 45.100 -0.004 0.000 0.817 269 G HN 0.747 nan 8.290 nan 0.000 0.546 270 L N 0.358 121.375 121.223 -0.344 0.000 2.545 270 L HA 0.713 5.049 4.340 -0.007 0.000 0.258 270 L C -1.916 174.891 176.870 -0.106 0.000 0.942 270 L CA -0.808 53.859 54.840 -0.288 0.000 0.855 270 L CB 2.431 44.498 42.059 0.013 0.000 1.374 270 L HN 0.933 nan 8.230 nan 0.000 0.411 271 D N 3.899 124.297 120.400 -0.004 0.000 2.527 271 D HA 0.498 5.134 4.640 -0.007 0.000 0.233 271 D C -1.495 174.874 176.300 0.115 0.000 1.063 271 D CA -0.551 53.560 54.000 0.186 0.000 0.880 271 D CB 2.295 43.313 40.800 0.363 0.000 1.457 271 D HN 0.451 nan 8.370 nan 0.000 0.475 272 L N 2.345 123.627 121.223 0.098 0.000 2.372 272 L HA 0.618 4.954 4.340 -0.007 0.000 0.273 272 L C -1.049 175.854 176.870 0.056 0.000 0.989 272 L CA -0.726 54.156 54.840 0.070 0.000 0.841 272 L CB 0.709 42.808 42.059 0.066 0.000 1.225 272 L HN 0.658 nan 8.230 nan 0.000 0.414 273 V N 2.198 122.114 119.914 0.002 0.000 3.126 273 V HA 0.731 4.847 4.120 -0.007 0.000 0.314 273 V C 0.236 176.330 176.094 -0.000 0.000 1.138 273 V CA -0.561 61.724 62.300 -0.024 0.000 1.034 273 V CB 1.947 33.679 31.823 -0.152 0.000 1.075 273 V HN 0.750 nan 8.190 nan 0.000 0.442 274 E N -0.635 119.586 120.200 0.035 0.000 3.496 274 E HA -0.194 4.152 4.350 -0.007 0.000 0.300 274 E C -0.146 176.502 176.600 0.080 0.000 0.877 274 E CA 0.975 57.416 56.400 0.068 0.000 1.050 274 E CB -1.151 28.600 29.700 0.086 0.000 1.532 274 E HN 0.760 nan 8.360 nan 0.000 0.447 275 L N 0.579 121.849 121.223 0.079 0.000 2.410 275 L HA 0.326 4.661 4.340 -0.007 0.000 0.273 275 L C 0.224 177.142 176.870 0.081 0.000 1.152 275 L CA 0.471 55.361 54.840 0.083 0.000 0.855 275 L CB 0.567 42.676 42.059 0.085 0.000 1.129 275 L HN 0.140 nan 8.230 nan 0.000 0.463 276 A N 6.596 129.461 122.820 0.076 0.000 2.763 276 A HA 0.495 4.811 4.320 -0.007 0.000 0.325 276 A C -2.050 175.578 177.584 0.073 0.000 1.209 276 A CA -1.200 50.883 52.037 0.077 0.000 0.764 276 A CB 0.709 19.737 19.000 0.047 0.000 1.120 276 A HN 0.601 nan 8.150 nan 0.000 0.463 277 P HA -0.206 nan 4.420 nan 0.000 0.216 277 P C 1.371 178.692 177.300 0.035 0.000 1.150 277 P CA 1.597 64.736 63.100 0.064 0.000 0.843 277 P CB 0.070 31.818 31.700 0.080 0.000 0.787 278 N N 0.077 118.805 118.700 0.047 0.000 2.443 278 N HA -0.126 4.610 4.740 -0.007 0.000 0.184 278 N C 1.278 176.789 175.510 0.002 0.000 1.037 278 N CA 1.085 54.141 53.050 0.010 0.000 0.896 278 N CB -1.141 37.367 38.487 0.035 0.000 0.959 278 N HN 0.265 nan 8.380 nan 0.000 0.442 279 L N -0.511 120.718 121.223 0.010 0.000 2.607 279 L HA 0.203 4.539 4.340 -0.007 0.000 0.228 279 L C -0.098 176.776 176.870 0.005 0.000 1.123 279 L CA 0.062 54.901 54.840 -0.002 0.000 0.890 279 L CB -0.023 42.030 42.059 -0.010 0.000 1.103 279 L HN -0.030 nan 8.230 nan 0.000 0.468 280 D N 0.373 120.778 120.400 0.009 0.000 2.363 280 D HA 0.171 4.807 4.640 -0.007 0.000 0.258 280 D C -1.738 174.563 176.300 0.001 0.000 1.259 280 D CA -1.680 52.326 54.000 0.009 0.000 0.921 280 D CB 1.459 42.269 40.800 0.017 0.000 1.201 280 D HN -0.158 nan 8.370 nan 0.000 0.524 281 P HA -0.089 nan 4.420 nan 0.000 0.234 281 P C 1.095 178.389 177.300 -0.010 0.000 1.167 281 P CA 0.761 63.854 63.100 -0.011 0.000 0.763 281 P CB 0.036 31.728 31.700 -0.013 0.000 0.835 282 T N -4.889 109.662 114.554 -0.006 0.000 3.067 282 T HA 0.209 4.555 4.350 -0.007 0.000 0.261 282 T C 1.727 176.423 174.700 -0.007 0.000 1.110 282 T CA 0.899 62.995 62.100 -0.007 0.000 1.113 282 T CB -1.066 67.799 68.868 -0.005 0.000 0.917 282 T HN 0.207 nan 8.240 nan 0.000 0.499 283 G N 2.623 111.420 108.800 -0.004 0.000 2.189 283 G HA2 -0.426 3.530 3.960 -0.007 0.000 0.267 283 G HA3 -0.426 3.530 3.960 -0.007 0.000 0.267 283 G C 1.060 175.959 174.900 -0.003 0.000 0.975 283 G CA 0.780 45.879 45.100 -0.001 0.000 0.644 283 G HN 0.841 nan 8.290 nan 0.000 0.537 284 R N 0.196 120.692 120.500 -0.007 0.000 2.148 284 R HA 0.154 4.490 4.340 -0.007 0.000 0.227 284 R C 2.291 178.582 176.300 -0.015 0.000 1.103 284 R CA 1.799 57.889 56.100 -0.017 0.000 0.983 284 R CB -0.541 29.746 30.300 -0.022 0.000 0.874 284 R HN 0.291 nan 8.270 nan 0.000 0.451 285 S N 1.789 117.489 115.700 0.000 0.000 2.348 285 S HA -0.165 4.301 4.470 -0.007 0.000 0.221 285 S C 1.801 176.408 174.600 0.011 0.000 1.033 285 S CA 1.674 59.878 58.200 0.006 0.000 1.010 285 S CB -0.186 63.030 63.200 0.026 0.000 0.891 285 S HN 0.620 nan 8.310 nan 0.000 0.442 286 E N 1.619 121.834 120.200 0.025 0.000 2.106 286 E HA -0.096 4.250 4.350 -0.007 0.000 0.192 286 E C 2.105 178.724 176.600 0.031 0.000 0.984 286 E CA 0.798 57.222 56.400 0.041 0.000 0.806 286 E CB -0.703 29.027 29.700 0.051 0.000 0.750 286 E HN 0.436 nan 8.360 nan 0.000 0.458 287 L N 0.062 121.290 121.223 0.008 0.000 2.017 287 L HA -0.195 4.141 4.340 -0.007 0.000 0.208 287 L C 2.640 179.498 176.870 -0.022 0.000 1.073 287 L CA 0.846 55.681 54.840 -0.009 0.000 0.745 287 L CB -0.391 41.653 42.059 -0.025 0.000 0.894 287 L HN 0.109 nan 8.230 nan 0.000 0.432 288 L N -1.280 119.921 121.223 -0.037 0.000 2.109 288 L HA -0.142 4.194 4.340 -0.007 0.000 0.207 288 L C 2.428 179.329 176.870 0.051 0.000 1.086 288 L CA 1.550 56.362 54.840 -0.046 0.000 0.760 288 L CB -0.557 41.457 42.059 -0.076 0.000 0.910 288 L HN 0.225 nan 8.230 nan 0.000 0.437 289 M N -1.422 118.189 119.600 0.017 0.000 2.319 289 M HA 0.002 4.478 4.480 -0.007 0.000 0.265 289 M C 2.373 178.730 176.300 0.096 0.000 1.068 289 M CA 1.323 56.639 55.300 0.026 0.000 1.118 289 M CB -1.257 31.355 32.600 0.019 0.000 1.395 289 M HN 0.269 nan 8.290 nan 0.000 0.435 290 A N 0.198 123.082 122.820 0.106 0.000 1.898 290 A HA -0.165 4.151 4.320 -0.007 0.000 0.216 290 A C 2.366 180.026 177.584 0.127 0.000 1.181 290 A CA 1.613 53.746 52.037 0.161 0.000 0.620 290 A CB -0.662 18.401 19.000 0.106 0.000 0.819 290 A HN 0.467 nan 8.150 nan 0.000 0.442 291 R N -0.677 119.866 120.500 0.071 0.000 2.096 291 R HA -0.118 4.218 4.340 -0.007 0.000 0.235 291 R C 2.024 178.396 176.300 0.120 0.000 1.127 291 R CA 1.597 57.723 56.100 0.043 0.000 0.968 291 R CB -0.435 29.849 30.300 -0.028 0.000 0.861 291 R HN 0.420 nan 8.270 nan 0.000 0.440 292 L N 0.733 122.067 121.223 0.184 0.000 2.012 292 L HA -0.178 4.158 4.340 -0.007 0.000 0.210 292 L C 2.170 179.080 176.870 0.068 0.000 1.073 292 L CA 1.580 56.477 54.840 0.095 0.000 0.748 292 L CB -0.359 41.670 42.059 -0.049 0.000 0.891 292 L HN 0.011 nan 8.230 nan 0.000 0.431 293 V N -0.661 119.330 119.914 0.129 0.000 2.295 293 V HA -0.330 3.786 4.120 -0.007 0.000 0.246 293 V C 2.581 178.813 176.094 0.230 0.000 1.049 293 V CA 1.978 64.390 62.300 0.187 0.000 1.024 293 V CB -0.629 31.380 31.823 0.310 0.000 0.648 293 V HN 0.418 nan 8.190 nan 0.000 0.447 294 M N -0.396 119.337 119.600 0.222 0.000 2.117 294 M HA -0.170 4.306 4.480 -0.007 0.000 0.262 294 M C 2.198 178.550 176.300 0.085 0.000 1.065 294 M CA 1.722 57.140 55.300 0.197 0.000 1.114 294 M CB -1.246 31.417 32.600 0.104 0.000 1.361 294 M HN 0.516 nan 8.290 nan 0.000 0.408 295 E N -0.274 119.922 120.200 -0.006 0.000 2.106 295 E HA -0.143 4.203 4.350 -0.007 0.000 0.192 295 E C 1.678 178.307 176.600 0.048 0.000 0.984 295 E CA 1.563 57.947 56.400 -0.028 0.000 0.806 295 E CB 0.198 29.899 29.700 0.001 0.000 0.750 295 E HN 0.416 nan 8.360 nan 0.000 0.458 296 T N 1.261 115.846 114.554 0.051 0.000 2.746 296 T HA -0.117 4.229 4.350 -0.007 0.000 0.267 296 T C 1.816 176.610 174.700 0.155 0.000 1.039 296 T CA 1.034 63.154 62.100 0.033 0.000 1.142 296 T CB -0.135 68.702 68.868 -0.052 0.000 0.866 296 T HN 0.165 nan 8.240 nan 0.000 0.444 297 L N 0.356 121.721 121.223 0.237 0.000 2.083 297 L HA -0.115 4.221 4.340 -0.007 0.000 0.209 297 L C 2.888 180.008 176.870 0.417 0.000 1.083 297 L CA 0.828 55.897 54.840 0.382 0.000 0.752 297 L CB -0.714 41.602 42.059 0.429 0.000 0.899 297 L HN 0.385 nan 8.230 nan 0.000 0.433 298 C N -0.123 119.355 119.300 0.296 0.000 2.413 298 C HA -0.135 4.321 4.460 -0.007 0.000 0.276 298 C C 2.758 177.910 174.990 0.269 0.000 1.236 298 C CA 0.606 59.786 59.018 0.269 0.000 1.735 298 C CB -0.679 27.154 27.740 0.154 0.000 2.031 298 C HN 0.508 nan 8.230 nan 0.000 0.474 299 E N 0.512 120.848 120.200 0.226 0.000 2.072 299 E HA -0.126 4.220 4.350 -0.007 0.000 0.191 299 E C 2.298 179.075 176.600 0.294 0.000 0.985 299 E CA 0.991 57.537 56.400 0.243 0.000 0.801 299 E CB -0.634 29.146 29.700 0.134 0.000 0.750 299 E HN 0.514 nan 8.360 nan 0.000 0.452 300 V N 0.803 120.866 119.914 0.249 0.000 2.233 300 V HA -0.233 3.883 4.120 -0.007 0.000 0.247 300 V C 2.024 178.146 176.094 0.046 0.000 1.050 300 V CA 1.747 64.130 62.300 0.138 0.000 1.010 300 V CB -0.624 31.252 31.823 0.088 0.000 0.637 300 V HN 0.128 nan 8.190 nan 0.000 0.444 301 F N -0.027 120.007 119.950 0.140 0.000 2.802 301 F HA 0.022 4.546 4.527 -0.005 0.000 0.300 301 F C 1.834 177.684 175.800 0.084 0.000 1.168 301 F CA 0.875 58.938 58.000 0.105 0.000 1.433 301 F CB -0.301 38.757 39.000 0.097 0.000 1.115 301 F HN 0.186 nan 8.300 nan 0.000 0.582 302 D N -1.380 119.157 120.400 0.228 0.000 2.350 302 D HA -0.021 4.615 4.640 -0.007 0.000 0.213 302 D C 0.276 176.426 176.300 -0.250 0.000 1.031 302 D CA 0.812 54.832 54.000 0.033 0.000 0.861 302 D CB -0.021 40.810 40.800 0.051 0.000 0.926 302 D HN 0.262 nan 8.370 nan 0.000 0.520 303 H N -1.162 117.940 119.070 0.053 0.000 2.676 303 H HA 0.324 4.877 4.556 -0.006 0.000 0.238 303 H C -0.595 174.727 175.328 -0.010 0.000 1.276 303 H CA -0.439 55.623 56.048 0.023 0.000 0.983 303 H CB 0.534 30.309 29.762 0.022 0.000 2.000 303 H HN -0.207 nan 8.280 nan 0.000 0.584 304 V N 1.926 121.866 119.914 0.044 0.000 2.614 304 V HA 0.041 4.157 4.120 -0.007 0.000 0.291 304 V C 0.554 176.655 176.094 0.010 0.000 1.049 304 V CA -0.534 61.763 62.300 -0.006 0.000 1.038 304 V CB 0.475 32.283 31.823 -0.025 0.000 0.980 304 V HN 0.252 nan 8.190 nan 0.000 0.481 305 L N 0.000 121.223 121.223 0.000 0.000 2.949 305 L HA 0.000 4.336 4.340 -0.007 0.000 0.249 305 L CA 0.000 54.843 54.840 0.005 0.000 0.813 305 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 305 L HN 0.000 nan 8.230 nan 0.000 0.502