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 3om3_1_D DATA FIRST_RESID 30 DATA SEQUENCE LEIIGRPQPG GTGFQPSASP VATQIHWLDG FILVIIAAIT IFVTLLILYA DATA SEQUENCE VWRFHEKRNK VPARFTHNSP LEIAWTIVPI VILVAIGAFS LPVLFNQQEI DATA SEQUENCE PEADVTVKVT GYQWYWGYEY PDEEISFESY MIGSPATGGD NRMSPEVEQQ DATA SEQUENCE LIEAGYSRDE FLLATDTAMV VPVNKTVVVQ VTGADVIHSW TVPAFGVKQD DATA SEQUENCE AVPGRLAQLW FRAEREGIFF GQCSELCGIS HAYMPITVKV VSEEAYAAWL DATA SEQUENCE EQHHHH 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 30 L HA 0.000 nan 4.340 nan 0.000 0.249 30 L C 0.000 176.831 176.870 -0.064 0.000 1.165 30 L CA 0.000 54.810 54.840 -0.050 0.000 0.813 30 L CB 0.000 42.021 42.059 -0.063 0.000 0.961 31 E N 2.995 123.148 120.200 -0.079 0.000 2.200 31 E HA 0.423 4.773 4.350 0.000 0.000 0.283 31 E C -0.859 175.636 176.600 -0.176 0.000 1.015 31 E CA -0.644 55.704 56.400 -0.088 0.000 0.819 31 E CB 1.187 30.850 29.700 -0.062 0.000 1.081 31 E HN 0.399 nan 8.360 nan 0.000 0.397 32 I N 6.540 127.034 120.570 -0.126 0.000 2.436 32 I HA 0.040 4.210 4.170 0.000 0.000 0.289 32 I C 0.765 176.766 176.117 -0.193 0.000 1.083 32 I CA 0.290 61.489 61.300 -0.169 0.000 1.372 32 I CB 0.466 38.483 38.000 0.028 0.000 1.408 32 I HN 0.668 nan 8.210 nan 0.000 0.516 33 I N 4.260 124.596 120.570 -0.392 0.000 3.873 33 I HA 0.155 4.325 4.170 0.000 0.000 0.284 33 I C 1.653 177.698 176.117 -0.119 0.000 1.186 33 I CA 0.123 61.274 61.300 -0.248 0.000 1.362 33 I CB 0.175 38.026 38.000 -0.249 0.000 1.432 33 I HN 0.614 nan 8.210 nan 0.000 0.454 34 G N 4.451 113.120 108.800 -0.218 0.000 2.985 34 G HA2 0.358 4.319 3.960 0.000 0.000 0.282 34 G HA3 0.358 4.319 3.960 0.000 0.000 0.282 34 G C -0.029 174.902 174.900 0.051 0.000 0.791 34 G CA -0.093 45.022 45.100 0.024 0.000 1.934 34 G HN 0.216 nan 8.290 nan 0.000 0.563 35 R N 1.664 122.214 120.500 0.083 0.000 2.643 35 R HA 0.487 4.827 4.340 0.000 0.000 0.269 35 R C -3.331 173.004 176.300 0.057 0.000 1.037 35 R CA -1.730 54.443 56.100 0.122 0.000 0.894 35 R CB 1.576 31.974 30.300 0.162 0.000 1.238 35 R HN 0.066 nan 8.270 nan 0.000 0.459 36 P HA 0.107 nan 4.420 nan 0.000 0.272 36 P C -1.036 176.270 177.300 0.010 0.000 1.223 36 P CA -0.132 62.972 63.100 0.008 0.000 0.784 36 P CB 0.853 32.542 31.700 -0.017 0.000 0.923 37 Q N 1.620 121.424 119.800 0.007 0.000 2.345 37 Q HA 0.446 4.787 4.340 0.000 0.000 0.268 37 Q C -2.252 173.747 176.000 -0.002 0.000 1.054 37 Q CA -2.007 53.801 55.803 0.008 0.000 0.835 37 Q CB 0.893 29.641 28.738 0.016 0.000 1.339 37 Q HN 0.340 nan 8.270 nan 0.000 0.447 38 P HA -0.007 nan 4.420 nan 0.000 0.261 38 P C 0.398 177.693 177.300 -0.009 0.000 1.183 38 P CA 0.877 63.974 63.100 -0.005 0.000 0.761 38 P CB 0.284 31.983 31.700 -0.001 0.000 0.785 39 G N 2.514 111.306 108.800 -0.014 0.000 2.180 39 G HA2 -0.208 3.752 3.960 0.000 0.000 0.263 39 G HA3 -0.208 3.752 3.960 0.000 0.000 0.263 39 G C 0.682 175.568 174.900 -0.024 0.000 0.989 39 G CA -0.076 45.013 45.100 -0.019 0.000 0.692 39 G HN 0.922 nan 8.290 nan 0.000 0.526 40 G N -0.580 108.205 108.800 -0.025 0.000 2.380 40 G HA2 0.504 4.464 3.960 0.000 0.000 0.242 40 G HA3 0.504 4.464 3.960 0.000 0.000 0.242 40 G C 1.065 175.932 174.900 -0.055 0.000 1.298 40 G CA 0.997 46.078 45.100 -0.032 0.000 0.878 40 G HN 1.200 nan 8.290 nan 0.000 0.542 41 T N -0.369 114.145 114.554 -0.066 0.000 2.985 41 T HA 0.376 4.727 4.350 0.000 0.000 0.254 41 T C 1.143 175.750 174.700 -0.154 0.000 1.021 41 T CA 0.529 62.571 62.100 -0.097 0.000 0.957 41 T CB 0.554 69.375 68.868 -0.078 0.000 1.047 41 T HN 0.715 nan 8.240 nan 0.000 0.511 42 G N 0.410 109.127 108.800 -0.138 0.000 2.705 42 G HA2 0.593 4.554 3.960 0.000 0.000 0.299 42 G HA3 0.593 4.554 3.960 0.000 0.000 0.299 42 G C -0.884 173.878 174.900 -0.230 0.000 1.315 42 G CA -1.154 43.824 45.100 -0.202 0.000 1.045 42 G HN 0.207 nan 8.290 nan 0.000 0.517 43 F N 0.248 120.105 119.950 -0.156 0.000 2.545 43 F HA 0.166 4.693 4.527 0.000 0.000 0.348 43 F C 1.554 177.331 175.800 -0.038 0.000 1.163 43 F CA 0.218 58.111 58.000 -0.180 0.000 1.331 43 F CB 0.512 39.179 39.000 -0.556 0.000 1.138 43 F HN 0.259 nan 8.300 nan 0.000 0.602 44 Q N 2.706 122.650 119.800 0.239 0.000 2.386 44 Q HA 0.082 4.422 4.340 0.000 0.000 0.282 44 Q C -2.107 174.071 176.000 0.296 0.000 1.050 44 Q CA -1.602 54.317 55.803 0.194 0.000 0.918 44 Q CB -0.067 28.750 28.738 0.131 0.000 1.266 44 Q HN 0.232 nan 8.270 nan 0.000 0.423 45 P HA -0.110 nan 4.420 nan 0.000 0.265 45 P C -0.661 176.728 177.300 0.149 0.000 1.187 45 P CA 0.308 63.538 63.100 0.218 0.000 0.766 45 P CB 0.556 32.348 31.700 0.153 0.000 0.820 46 S N 1.941 117.624 115.700 -0.028 0.000 2.548 46 S HA 0.447 4.918 4.470 0.000 0.000 0.277 46 S C 0.611 175.178 174.600 -0.054 0.000 1.315 46 S CA 0.153 58.211 58.200 -0.237 0.000 1.050 46 S CB -0.353 62.530 63.200 -0.528 0.000 0.918 46 S HN 0.474 nan 8.310 nan 0.000 0.497 47 A N 3.272 126.065 122.820 -0.044 0.000 2.630 47 A HA 0.529 4.849 4.320 0.000 0.000 0.287 47 A C 0.178 177.715 177.584 -0.078 0.000 1.040 47 A CA 0.106 52.131 52.037 -0.019 0.000 0.971 47 A CB -0.192 18.776 19.000 -0.053 0.000 1.241 47 A HN 1.162 nan 8.150 nan 0.000 0.558 48 S N -1.361 114.285 115.700 -0.090 0.000 2.607 48 S HA 0.668 5.138 4.470 0.000 0.000 0.273 48 S C -2.617 171.922 174.600 -0.102 0.000 1.148 48 S CA -0.877 57.258 58.200 -0.109 0.000 0.833 48 S CB 1.867 64.978 63.200 -0.147 0.000 1.130 48 S HN -0.104 nan 8.310 nan 0.000 0.470 49 P HA -0.007 nan 4.420 nan 0.000 0.219 49 P C 1.518 178.778 177.300 -0.067 0.000 1.150 49 P CA 0.636 63.712 63.100 -0.040 0.000 0.814 49 P CB -0.147 31.577 31.700 0.040 0.000 0.787 50 V N 1.015 120.854 119.914 -0.125 0.000 2.307 50 V HA -0.219 3.901 4.120 0.000 0.000 0.245 50 V C 2.836 178.854 176.094 -0.127 0.000 1.045 50 V CA 2.205 64.418 62.300 -0.145 0.000 1.024 50 V CB -1.642 29.997 31.823 -0.306 0.000 0.651 50 V HN 0.099 nan 8.190 nan 0.000 0.449 51 A N -0.543 122.180 122.820 -0.161 0.000 1.908 51 A HA -0.270 4.051 4.320 0.000 0.000 0.218 51 A C 2.393 179.790 177.584 -0.312 0.000 1.181 51 A CA 2.651 54.563 52.037 -0.207 0.000 0.627 51 A CB -1.073 17.790 19.000 -0.228 0.000 0.818 51 A HN 0.491 nan 8.150 nan 0.000 0.445 52 T N -0.023 114.367 114.554 -0.274 0.000 2.720 52 T HA -0.208 4.142 4.350 0.000 0.000 0.268 52 T C 2.074 176.761 174.700 -0.022 0.000 1.037 52 T CA 1.881 63.863 62.100 -0.198 0.000 1.144 52 T CB -0.283 68.512 68.868 -0.122 0.000 0.864 52 T HN 0.646 nan 8.240 nan 0.000 0.444 53 Q N -0.094 119.699 119.800 -0.011 0.000 2.084 53 Q HA -0.060 4.281 4.340 0.000 0.000 0.202 53 Q C 2.387 178.466 176.000 0.132 0.000 0.978 53 Q CA 0.996 56.843 55.803 0.072 0.000 0.844 53 Q CB -0.217 28.546 28.738 0.042 0.000 0.898 53 Q HN 0.438 nan 8.270 nan 0.000 0.426 54 I N 0.391 120.986 120.570 0.040 0.000 2.127 54 I HA -0.269 3.902 4.170 0.000 0.000 0.241 54 I C 2.072 178.162 176.117 -0.045 0.000 1.075 54 I CA 1.752 63.046 61.300 -0.011 0.000 1.334 54 I CB -1.584 36.339 38.000 -0.129 0.000 1.040 54 I HN 0.251 nan 8.210 nan 0.000 0.405 55 H N -1.098 117.787 119.070 -0.308 0.000 2.353 55 H HA -0.251 4.306 4.556 0.000 0.000 0.298 55 H C 1.940 177.292 175.328 0.040 0.000 1.103 55 H CA 2.130 58.024 56.048 -0.256 0.000 1.293 55 H CB -0.656 29.023 29.762 -0.137 0.000 1.372 55 H HN 0.472 nan 8.280 nan 0.000 0.501 56 W N 0.350 121.691 121.300 0.069 0.000 2.378 56 W HA -0.129 4.531 4.660 0.000 0.000 0.313 56 W C 2.246 178.804 176.519 0.064 0.000 1.197 56 W CA 0.896 58.266 57.345 0.041 0.000 1.304 56 W CB -0.611 28.834 29.460 -0.026 0.000 1.148 56 W HN 0.166 nan 8.180 nan 0.000 0.494 57 L N 1.200 122.606 121.223 0.305 0.000 2.042 57 L HA -0.252 4.088 4.340 0.000 0.000 0.210 57 L C 2.186 179.110 176.870 0.090 0.000 1.076 57 L CA 2.629 57.591 54.840 0.202 0.000 0.749 57 L CB -1.238 40.998 42.059 0.295 0.000 0.893 57 L HN 0.163 nan 8.230 nan 0.000 0.432 58 D N -1.296 119.170 120.400 0.110 0.000 2.144 58 D HA -0.152 4.489 4.640 0.000 0.000 0.200 58 D C 1.963 178.292 176.300 0.048 0.000 0.978 58 D CA 1.223 55.306 54.000 0.139 0.000 0.833 58 D CB 0.081 41.092 40.800 0.350 0.000 0.961 58 D HN 0.475 nan 8.370 nan 0.000 0.470 59 G N -0.034 108.760 108.800 -0.010 0.000 2.408 59 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 59 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 59 G C 1.527 176.324 174.900 -0.172 0.000 1.150 59 G CA 0.242 45.290 45.100 -0.088 0.000 0.776 59 G HN 0.359 nan 8.290 nan 0.000 0.542 60 F N 1.154 120.804 119.950 -0.501 0.000 2.075 60 F HA -0.021 4.506 4.527 0.000 0.000 0.297 60 F C 2.486 178.126 175.800 -0.265 0.000 1.113 60 F CA 1.283 58.960 58.000 -0.539 0.000 1.218 60 F CB 0.005 38.459 39.000 -0.910 0.000 0.984 60 F HN 0.071 nan 8.300 nan 0.000 0.472 61 I N -0.035 120.388 120.570 -0.245 0.000 2.315 61 I HA -0.257 3.913 4.170 0.000 0.000 0.248 61 I C 2.225 178.224 176.117 -0.197 0.000 1.117 61 I CA 0.683 61.836 61.300 -0.245 0.000 1.404 61 I CB -0.500 37.460 38.000 -0.066 0.000 1.071 61 I HN 0.254 nan 8.210 nan 0.000 0.419 62 L N 0.476 121.616 121.223 -0.139 0.000 2.131 62 L HA -0.140 4.200 4.340 0.000 0.000 0.210 62 L C 2.317 179.111 176.870 -0.127 0.000 1.092 62 L CA 1.676 56.451 54.840 -0.108 0.000 0.759 62 L CB -0.369 41.643 42.059 -0.077 0.000 0.903 62 L HN -0.029 nan 8.230 nan 0.000 0.435 63 V N -0.415 119.397 119.914 -0.169 0.000 2.307 63 V HA -0.281 3.839 4.120 0.000 0.000 0.245 63 V C 2.455 178.445 176.094 -0.173 0.000 1.045 63 V CA 2.055 64.261 62.300 -0.157 0.000 1.024 63 V CB -0.377 31.349 31.823 -0.162 0.000 0.651 63 V HN 0.380 nan 8.190 nan 0.000 0.449 64 I N 0.588 121.004 120.570 -0.257 0.000 2.163 64 I HA -0.283 3.887 4.170 0.000 0.000 0.243 64 I C 2.341 178.374 176.117 -0.139 0.000 1.085 64 I CA 2.437 63.599 61.300 -0.230 0.000 1.347 64 I CB -0.405 37.405 38.000 -0.316 0.000 1.044 64 I HN 0.397 nan 8.210 nan 0.000 0.408 65 I N -1.144 119.353 120.570 -0.122 0.000 2.617 65 I HA -0.026 4.144 4.170 0.000 0.000 0.256 65 I C 2.593 178.680 176.117 -0.050 0.000 1.167 65 I CA 1.223 62.480 61.300 -0.072 0.000 1.469 65 I CB -0.511 37.452 38.000 -0.062 0.000 1.098 65 I HN 0.026 nan 8.210 nan 0.000 0.436 66 A N 1.832 124.615 122.820 -0.061 0.000 1.873 66 A HA 0.020 4.340 4.320 0.000 0.000 0.215 66 A C 2.624 180.194 177.584 -0.022 0.000 1.186 66 A CA 1.820 53.832 52.037 -0.041 0.000 0.616 66 A CB -1.050 17.920 19.000 -0.050 0.000 0.823 66 A HN 0.569 nan 8.150 nan 0.000 0.442 67 A N 0.242 123.037 122.820 -0.041 0.000 1.892 67 A HA -0.172 4.149 4.320 0.000 0.000 0.218 67 A C 2.125 179.726 177.584 0.029 0.000 1.188 67 A CA 1.746 53.766 52.037 -0.029 0.000 0.631 67 A CB -0.737 18.214 19.000 -0.081 0.000 0.822 67 A HN 0.525 nan 8.150 nan 0.000 0.447 68 I N -0.715 119.866 120.570 0.019 0.000 2.226 68 I HA -0.223 3.947 4.170 0.000 0.000 0.245 68 I C 2.564 178.750 176.117 0.116 0.000 1.100 68 I CA 1.769 63.124 61.300 0.092 0.000 1.374 68 I CB -0.731 37.293 38.000 0.040 0.000 1.057 68 I HN 0.267 nan 8.210 nan 0.000 0.413 69 T N 1.287 115.872 114.554 0.052 0.000 2.737 69 T HA -0.056 4.294 4.350 0.000 0.000 0.265 69 T C 1.993 176.720 174.700 0.046 0.000 1.038 69 T CA 1.003 63.122 62.100 0.033 0.000 1.144 69 T CB -0.045 68.825 68.868 0.004 0.000 0.866 69 T HN 0.088 nan 8.240 nan 0.000 0.434 70 I N 1.007 121.610 120.570 0.056 0.000 2.127 70 I HA -0.131 4.039 4.170 0.000 0.000 0.241 70 I C 2.094 178.280 176.117 0.114 0.000 1.075 70 I CA 1.375 62.712 61.300 0.063 0.000 1.334 70 I CB -1.467 36.563 38.000 0.051 0.000 1.040 70 I HN 0.238 nan 8.210 nan 0.000 0.405 71 F N 1.497 121.437 119.950 -0.018 0.000 2.043 71 F HA -0.317 4.211 4.527 0.000 0.000 0.297 71 F C 2.623 178.426 175.800 0.005 0.000 1.118 71 F CA 2.022 60.017 58.000 -0.008 0.000 1.202 71 F CB -0.117 38.877 39.000 -0.009 0.000 0.965 71 F HN -0.177 nan 8.300 nan 0.000 0.482 72 V N -0.053 119.831 119.914 -0.050 0.000 2.343 72 V HA -0.329 3.791 4.120 0.000 0.000 0.247 72 V C 2.229 178.263 176.094 -0.100 0.000 1.051 72 V CA 2.403 64.614 62.300 -0.148 0.000 1.036 72 V CB -0.966 30.827 31.823 -0.050 0.000 0.654 72 V HN 0.493 nan 8.190 nan 0.000 0.451 73 T N 0.403 114.934 114.554 -0.039 0.000 2.708 73 T HA -0.140 4.211 4.350 0.000 0.000 0.266 73 T C 1.886 176.578 174.700 -0.013 0.000 1.037 73 T CA 1.546 63.635 62.100 -0.018 0.000 1.146 73 T CB -0.297 68.569 68.868 -0.003 0.000 0.865 73 T HN 0.298 nan 8.240 nan 0.000 0.435 74 L N 0.329 121.540 121.223 -0.020 0.000 2.046 74 L HA -0.026 4.314 4.340 0.000 0.000 0.208 74 L C 2.568 179.445 176.870 0.012 0.000 1.077 74 L CA 1.031 55.868 54.840 -0.005 0.000 0.747 74 L CB -0.611 41.445 42.059 -0.005 0.000 0.896 74 L HN 0.249 nan 8.230 nan 0.000 0.432 75 L N -0.335 120.835 121.223 -0.088 0.000 2.042 75 L HA -0.261 4.079 4.340 0.000 0.000 0.210 75 L C 2.514 179.433 176.870 0.082 0.000 1.076 75 L CA 1.530 56.343 54.840 -0.045 0.000 0.749 75 L CB -0.324 41.580 42.059 -0.259 0.000 0.893 75 L HN 0.242 nan 8.230 nan 0.000 0.432 76 I N -0.474 120.113 120.570 0.029 0.000 2.202 76 I HA -0.323 3.847 4.170 0.000 0.000 0.242 76 I C 2.373 178.552 176.117 0.102 0.000 1.091 76 I CA 1.301 62.636 61.300 0.058 0.000 1.368 76 I CB -0.170 37.842 38.000 0.019 0.000 1.058 76 I HN 0.202 nan 8.210 nan 0.000 0.410 77 L N -0.816 120.464 121.223 0.095 0.000 2.141 77 L HA -0.220 4.120 4.340 0.000 0.000 0.209 77 L C 2.583 179.562 176.870 0.182 0.000 1.094 77 L CA 1.271 56.176 54.840 0.108 0.000 0.763 77 L CB -0.601 41.495 42.059 0.061 0.000 0.908 77 L HN 0.300 nan 8.230 nan 0.000 0.437 78 Y N 0.650 121.000 120.300 0.083 0.000 2.153 78 Y HA -0.210 4.341 4.550 0.000 0.000 0.289 78 Y C 2.577 178.622 175.900 0.241 0.000 1.127 78 Y CA 1.441 59.626 58.100 0.141 0.000 1.131 78 Y CB -0.129 38.381 38.460 0.084 0.000 0.995 78 Y HN 0.066 nan 8.280 nan 0.000 0.505 79 A N -0.343 122.609 122.820 0.219 0.000 1.908 79 A HA -0.201 4.119 4.320 0.000 0.000 0.218 79 A C 2.291 180.008 177.584 0.221 0.000 1.181 79 A CA 2.078 54.294 52.037 0.298 0.000 0.627 79 A CB -1.397 17.812 19.000 0.348 0.000 0.818 79 A HN 0.394 nan 8.150 nan 0.000 0.445 80 V N -2.183 117.832 119.914 0.168 0.000 2.427 80 V HA -0.235 3.885 4.120 0.000 0.000 0.248 80 V C 2.108 178.280 176.094 0.131 0.000 1.051 80 V CA 1.947 64.338 62.300 0.151 0.000 1.048 80 V CB -0.686 31.214 31.823 0.128 0.000 0.666 80 V HN 0.885 nan 8.190 nan 0.000 0.456 81 W N 1.180 122.418 121.300 -0.103 0.000 2.408 81 W HA -0.151 4.509 4.660 0.000 0.000 0.311 81 W C 2.692 179.063 176.519 -0.248 0.000 1.190 81 W CA 1.859 59.105 57.345 -0.165 0.000 1.321 81 W CB -0.245 29.120 29.460 -0.157 0.000 1.143 81 W HN 0.064 nan 8.180 nan 0.000 0.501 82 R N 0.122 120.352 120.500 -0.450 0.000 2.070 82 R HA -0.124 4.216 4.340 0.000 0.000 0.232 82 R C 1.550 177.360 176.300 -0.817 0.000 1.138 82 R CA 2.065 57.579 56.100 -0.977 0.000 0.936 82 R CB -1.358 28.101 30.300 -1.401 0.000 0.839 82 R HN 0.208 nan 8.270 nan 0.000 0.429 83 F N 0.781 120.616 119.950 -0.192 0.000 2.660 83 F HA 0.243 4.770 4.527 0.000 0.000 0.297 83 F C 0.674 176.427 175.800 -0.078 0.000 1.132 83 F CA -0.401 57.530 58.000 -0.114 0.000 1.372 83 F CB -0.738 38.224 39.000 -0.062 0.000 1.003 83 F HN 0.123 nan 8.300 nan 0.000 0.524 84 H N 2.256 121.269 119.070 -0.094 0.000 2.929 84 H HA -0.047 4.509 4.556 0.000 0.000 0.358 84 H C 1.468 176.750 175.328 -0.076 0.000 1.111 84 H CA 0.905 56.902 56.048 -0.086 0.000 1.409 84 H CB 0.957 30.628 29.762 -0.151 0.000 1.373 84 H HN 0.533 nan 8.280 nan 0.000 0.610 85 E N 3.647 123.476 120.200 -0.619 0.000 2.085 85 E HA -0.253 4.097 4.350 0.000 0.000 0.194 85 E C 1.813 178.283 176.600 -0.216 0.000 0.994 85 E CA 1.311 57.492 56.400 -0.366 0.000 0.801 85 E CB -0.125 29.358 29.700 -0.363 0.000 0.743 85 E HN 0.586 nan 8.360 nan 0.000 0.453 86 K N 0.804 121.105 120.400 -0.165 0.000 2.147 86 K HA -0.166 4.154 4.320 0.000 0.000 0.205 86 K C 2.390 178.974 176.600 -0.026 0.000 1.049 86 K CA 1.430 57.719 56.287 0.005 0.000 0.936 86 K CB -0.011 32.576 32.500 0.144 0.000 0.722 86 K HN 0.085 nan 8.250 nan 0.000 0.446 87 R N -0.159 120.311 120.500 -0.049 0.000 2.156 87 R HA 0.040 4.380 4.340 0.000 0.000 0.207 87 R C 0.084 176.306 176.300 -0.129 0.000 1.040 87 R CA 0.453 56.463 56.100 -0.150 0.000 1.013 87 R CB 0.372 30.480 30.300 -0.321 0.000 0.931 87 R HN 0.030 nan 8.270 nan 0.000 0.465 88 N N 0.627 119.272 118.700 -0.090 0.000 2.540 88 N HA 0.097 4.837 4.740 0.000 0.000 0.275 88 N C -0.656 174.835 175.510 -0.031 0.000 1.053 88 N CA -0.182 52.847 53.050 -0.036 0.000 0.876 88 N CB 1.558 40.068 38.487 0.037 0.000 1.284 88 N HN 0.062 nan 8.380 nan 0.000 0.518 89 K N 1.036 121.418 120.400 -0.030 0.000 2.352 89 K HA 0.181 4.501 4.320 0.000 0.000 0.194 89 K C 0.109 176.693 176.600 -0.027 0.000 1.038 89 K CA 0.386 56.651 56.287 -0.038 0.000 1.023 89 K CB 0.917 33.395 32.500 -0.036 0.000 0.840 89 K HN 0.207 nan 8.250 nan 0.000 0.519 90 V N 4.868 124.777 119.914 -0.009 0.000 2.326 90 V HA 0.196 4.316 4.120 0.000 0.000 0.281 90 V C -2.252 173.842 176.094 -0.000 0.000 1.015 90 V CA -1.845 60.451 62.300 -0.007 0.000 0.823 90 V CB 0.993 32.817 31.823 0.001 0.000 1.009 90 V HN 0.123 nan 8.190 nan 0.000 0.436 91 P HA 0.406 nan 4.420 nan 0.000 0.275 91 P C -0.066 177.202 177.300 -0.052 0.000 1.227 91 P CA -0.063 63.008 63.100 -0.049 0.000 0.781 91 P CB 1.268 32.919 31.700 -0.082 0.000 0.906 92 A N 3.403 126.183 122.820 -0.065 0.000 2.325 92 A HA 0.211 4.531 4.320 0.000 0.000 0.260 92 A C 1.083 178.572 177.584 -0.157 0.000 1.133 92 A CA -0.078 51.937 52.037 -0.036 0.000 0.801 92 A CB 0.121 19.189 19.000 0.112 0.000 1.092 92 A HN 0.613 nan 8.150 nan 0.000 0.504 93 R N -1.139 119.301 120.500 -0.099 0.000 2.531 93 R HA 0.156 4.496 4.340 0.000 0.000 0.316 93 R C -0.491 175.731 176.300 -0.130 0.000 0.955 93 R CA -0.103 55.921 56.100 -0.126 0.000 1.120 93 R CB 0.107 30.387 30.300 -0.032 0.000 1.361 93 R HN 0.720 nan 8.270 nan 0.000 0.534 94 F N 0.638 120.568 119.950 -0.033 0.000 2.545 94 F HA 0.129 4.656 4.527 0.000 0.000 0.348 94 F C 1.082 176.842 175.800 -0.067 0.000 1.163 94 F CA 0.265 58.249 58.000 -0.027 0.000 1.331 94 F CB 0.485 39.474 39.000 -0.018 0.000 1.138 94 F HN -0.154 nan 8.300 nan 0.000 0.602 95 T N -2.817 111.793 114.554 0.093 0.000 3.130 95 T HA 0.298 4.648 4.350 0.000 0.000 0.288 95 T C -0.066 174.433 174.700 -0.335 0.000 0.936 95 T CA -0.164 61.833 62.100 -0.171 0.000 0.897 95 T CB -0.610 68.064 68.868 -0.324 0.000 1.178 95 T HN 0.786 nan 8.240 nan 0.000 0.543 96 H N 1.055 120.237 119.070 0.187 0.000 2.907 96 H HA 0.709 5.266 4.556 0.000 0.000 0.361 96 H C -0.995 174.342 175.328 0.015 0.000 1.194 96 H CA -0.823 55.273 56.048 0.080 0.000 1.152 96 H CB 1.880 31.664 29.762 0.036 0.000 1.867 96 H HN 0.085 nan 8.280 nan 0.000 0.561 97 N N 0.188 118.927 118.700 0.064 0.000 4.099 97 N HA -0.040 4.700 4.740 0.000 0.000 0.152 97 N C -0.070 175.348 175.510 -0.155 0.000 1.436 97 N CA 0.056 53.054 53.050 -0.087 0.000 0.953 97 N CB 0.323 38.705 38.487 -0.175 0.000 1.748 97 N HN 0.450 nan 8.380 nan 0.000 0.751 98 S N 1.530 117.168 115.700 -0.103 0.000 2.368 98 S HA -0.112 4.358 4.470 0.000 0.000 0.226 98 S C -0.942 173.566 174.600 -0.153 0.000 1.044 98 S CA 1.702 59.832 58.200 -0.116 0.000 1.062 98 S CB -0.598 62.555 63.200 -0.078 0.000 0.931 98 S HN 0.512 nan 8.310 nan 0.000 0.440 99 P HA -0.155 nan 4.420 nan 0.000 0.218 99 P C 1.610 178.798 177.300 -0.186 0.000 1.165 99 P CA 0.999 64.024 63.100 -0.125 0.000 0.922 99 P CB -0.121 31.517 31.700 -0.102 0.000 0.794 100 L N -0.428 120.630 121.223 -0.275 0.000 2.005 100 L HA -0.143 4.197 4.340 0.000 0.000 0.207 100 L C 2.283 178.632 176.870 -0.868 0.000 1.072 100 L CA 1.885 56.469 54.840 -0.426 0.000 0.744 100 L CB -1.301 40.501 42.059 -0.429 0.000 0.895 100 L HN -0.064 nan 8.230 nan 0.000 0.433 101 E N -0.634 118.974 120.200 -0.987 0.000 2.085 101 E HA -0.262 4.089 4.350 0.000 0.000 0.194 101 E C 2.377 178.672 176.600 -0.510 0.000 0.994 101 E CA 1.991 57.740 56.400 -1.085 0.000 0.801 101 E CB -0.536 28.894 29.700 -0.450 0.000 0.743 101 E HN 0.611 nan 8.360 nan 0.000 0.453 102 I N 1.103 121.509 120.570 -0.273 0.000 2.233 102 I HA 0.016 4.186 4.170 0.000 0.000 0.243 102 I C 2.555 178.647 176.117 -0.042 0.000 1.093 102 I CA 1.947 63.189 61.300 -0.098 0.000 1.380 102 I CB -1.666 36.293 38.000 -0.069 0.000 1.067 102 I HN 0.254 nan 8.210 nan 0.000 0.413 103 A N 0.533 123.308 122.820 -0.075 0.000 1.883 103 A HA -0.191 4.130 4.320 0.000 0.000 0.217 103 A C 2.120 179.792 177.584 0.146 0.000 1.186 103 A CA 1.987 54.035 52.037 0.017 0.000 0.624 103 A CB -1.342 17.660 19.000 0.002 0.000 0.822 103 A HN 1.433 nan 8.150 nan 0.000 0.444 104 W N 0.405 121.734 121.300 0.048 0.000 2.961 104 W HA 0.222 4.883 4.660 0.000 0.000 0.240 104 W C 0.726 177.275 176.519 0.049 0.000 1.305 104 W CA 0.886 58.266 57.345 0.059 0.000 1.465 104 W CB -1.609 27.899 29.460 0.080 0.000 1.135 104 W HN 0.124 nan 8.180 nan 0.000 0.688 105 T N 0.591 115.414 114.554 0.448 0.000 3.046 105 T HA 0.026 4.376 4.350 0.000 0.000 0.242 105 T C 1.693 176.490 174.700 0.162 0.000 1.018 105 T CA 0.755 63.032 62.100 0.295 0.000 1.131 105 T CB 0.016 69.032 68.868 0.248 0.000 0.904 105 T HN -0.020 nan 8.240 nan 0.000 0.459 106 I N 1.316 121.963 120.570 0.129 0.000 2.252 106 I HA -0.087 4.084 4.170 0.000 0.000 0.245 106 I C 2.383 178.547 176.117 0.079 0.000 1.102 106 I CA 0.821 62.171 61.300 0.084 0.000 1.385 106 I CB -0.430 37.605 38.000 0.058 0.000 1.064 106 I HN 0.031 nan 8.210 nan 0.000 0.414 107 V N 1.547 121.518 119.914 0.094 0.000 2.252 107 V HA -0.240 3.881 4.120 0.000 0.000 0.249 107 V C -0.222 175.907 176.094 0.058 0.000 1.056 107 V CA 2.426 64.769 62.300 0.071 0.000 1.022 107 V CB -1.915 29.956 31.823 0.080 0.000 0.641 107 V HN 0.318 nan 8.190 nan 0.000 0.445 108 P HA -0.123 nan 4.420 nan 0.000 0.215 108 P C 1.828 179.156 177.300 0.046 0.000 1.153 108 P CA 1.520 64.649 63.100 0.048 0.000 0.853 108 P CB -0.049 31.680 31.700 0.048 0.000 0.788 109 I N -1.194 119.410 120.570 0.056 0.000 2.163 109 I HA -0.225 3.945 4.170 0.000 0.000 0.243 109 I C 2.235 178.380 176.117 0.046 0.000 1.085 109 I CA 1.407 62.738 61.300 0.050 0.000 1.347 109 I CB -0.738 37.294 38.000 0.053 0.000 1.044 109 I HN -0.168 nan 8.210 nan 0.000 0.408 110 V N 1.109 121.050 119.914 0.046 0.000 2.287 110 V HA -0.288 3.832 4.120 0.000 0.000 0.248 110 V C 2.386 178.509 176.094 0.049 0.000 1.053 110 V CA 1.582 63.908 62.300 0.044 0.000 1.027 110 V CB -0.434 31.412 31.823 0.040 0.000 0.646 110 V HN 0.288 nan 8.190 nan 0.000 0.447 111 I N -0.366 120.227 120.570 0.039 0.000 2.208 111 I HA -0.254 3.916 4.170 0.000 0.000 0.245 111 I C 2.326 178.474 176.117 0.051 0.000 1.097 111 I CA 1.857 63.175 61.300 0.030 0.000 1.363 111 I CB -1.197 36.801 38.000 -0.002 0.000 1.051 111 I HN 0.285 nan 8.210 nan 0.000 0.413 112 L N -0.419 120.834 121.223 0.050 0.000 2.217 112 L HA -0.120 4.221 4.340 0.000 0.000 0.211 112 L C 2.535 179.451 176.870 0.077 0.000 1.107 112 L CA 0.435 55.311 54.840 0.061 0.000 0.783 112 L CB -0.349 41.740 42.059 0.050 0.000 0.919 112 L HN 0.029 nan 8.230 nan 0.000 0.442 113 V N -0.151 119.803 119.914 0.067 0.000 2.379 113 V HA -0.209 3.912 4.120 0.000 0.000 0.245 113 V C 2.738 178.876 176.094 0.074 0.000 1.044 113 V CA 1.594 63.928 62.300 0.057 0.000 1.036 113 V CB -0.704 31.141 31.823 0.036 0.000 0.664 113 V HN 0.447 nan 8.190 nan 0.000 0.453 114 A N 0.320 123.206 122.820 0.110 0.000 1.873 114 A HA -0.240 4.080 4.320 0.000 0.000 0.218 114 A C 2.182 179.970 177.584 0.339 0.000 1.193 114 A CA 2.273 54.425 52.037 0.193 0.000 0.629 114 A CB -0.650 18.512 19.000 0.269 0.000 0.826 114 A HN 0.494 nan 8.150 nan 0.000 0.447 115 I N -0.369 120.399 120.570 0.330 0.000 2.163 115 I HA -0.243 3.927 4.170 0.000 0.000 0.243 115 I C 2.723 179.028 176.117 0.314 0.000 1.085 115 I CA 1.253 62.790 61.300 0.394 0.000 1.347 115 I CB -0.696 37.433 38.000 0.214 0.000 1.044 115 I HN 0.417 nan 8.210 nan 0.000 0.408 116 G N 0.395 109.307 108.800 0.187 0.000 2.440 116 G HA2 -0.265 3.695 3.960 0.000 0.000 0.218 116 G HA3 -0.265 3.695 3.960 0.000 0.000 0.218 116 G C 1.877 176.835 174.900 0.098 0.000 1.154 116 G CA 0.849 46.030 45.100 0.136 0.000 0.767 116 G HN 0.504 nan 8.290 nan 0.000 0.552 117 A N 0.381 123.214 122.820 0.021 0.000 1.917 117 A HA 0.003 4.323 4.320 0.000 0.000 0.219 117 A C 2.180 179.652 177.584 -0.188 0.000 1.182 117 A CA 1.581 53.529 52.037 -0.148 0.000 0.633 117 A CB -0.563 18.253 19.000 -0.307 0.000 0.819 117 A HN 0.392 nan 8.150 nan 0.000 0.448 118 F N -1.313 118.709 119.950 0.119 0.000 2.569 118 F HA 0.025 4.553 4.527 0.000 0.000 0.295 118 F C 2.788 178.679 175.800 0.150 0.000 1.115 118 F CA 0.854 58.926 58.000 0.120 0.000 1.450 118 F CB 0.064 39.164 39.000 0.167 0.000 1.107 118 F HN 0.248 nan 8.300 nan 0.000 0.563 119 S N 0.393 116.284 115.700 0.318 0.000 2.356 119 S HA -0.046 4.425 4.470 0.000 0.000 0.219 119 S C 2.099 176.829 174.600 0.216 0.000 1.036 119 S CA 0.679 59.037 58.200 0.263 0.000 0.965 119 S CB -0.382 62.957 63.200 0.233 0.000 0.864 119 S HN 0.248 nan 8.310 nan 0.000 0.471 120 L N 1.772 123.105 121.223 0.184 0.000 2.043 120 L HA -0.091 4.249 4.340 0.000 0.000 0.212 120 L C -0.913 176.100 176.870 0.238 0.000 1.075 120 L CA 1.450 56.423 54.840 0.221 0.000 0.752 120 L CB -1.451 40.687 42.059 0.132 0.000 0.891 120 L HN 0.299 nan 8.230 nan 0.000 0.432 121 P HA -0.167 nan 4.420 nan 0.000 0.215 121 P C 1.911 179.322 177.300 0.186 0.000 1.157 121 P CA 1.315 64.472 63.100 0.094 0.000 0.874 121 P CB 0.017 31.747 31.700 0.050 0.000 0.790 122 V N -0.637 119.388 119.914 0.185 0.000 2.343 122 V HA -0.212 3.908 4.120 0.000 0.000 0.247 122 V C 2.427 178.638 176.094 0.195 0.000 1.051 122 V CA 1.529 63.934 62.300 0.175 0.000 1.036 122 V CB -1.268 30.657 31.823 0.171 0.000 0.654 122 V HN 0.049 nan 8.190 nan 0.000 0.451 123 L N -0.662 120.695 121.223 0.223 0.000 2.046 123 L HA -0.122 4.218 4.340 0.000 0.000 0.208 123 L C 2.146 179.120 176.870 0.174 0.000 1.077 123 L CA 2.040 56.991 54.840 0.185 0.000 0.747 123 L CB -0.673 41.498 42.059 0.186 0.000 0.896 123 L HN 0.220 nan 8.230 nan 0.000 0.432 124 F N -0.065 119.937 119.950 0.086 0.000 2.113 124 F HA -0.179 4.348 4.527 0.000 0.000 0.297 124 F C 2.525 178.394 175.800 0.114 0.000 1.103 124 F CA 1.744 59.793 58.000 0.082 0.000 1.248 124 F CB -0.975 38.058 39.000 0.054 0.000 0.999 124 F HN 0.289 nan 8.300 nan 0.000 0.475 125 N N 0.363 119.251 118.700 0.312 0.000 2.061 125 N HA -0.255 4.485 4.740 0.000 0.000 0.193 125 N C 1.861 177.624 175.510 0.422 0.000 1.030 125 N CA 1.783 55.008 53.050 0.292 0.000 0.856 125 N CB -0.389 38.245 38.487 0.244 0.000 1.023 125 N HN 0.404 nan 8.380 nan 0.000 0.424 126 Q N -1.082 118.896 119.800 0.297 0.000 2.050 126 Q HA -0.114 4.226 4.340 0.000 0.000 0.202 126 Q C 1.388 177.558 176.000 0.283 0.000 0.980 126 Q CA 1.235 57.168 55.803 0.217 0.000 0.840 126 Q CB 0.074 28.861 28.738 0.082 0.000 0.898 126 Q HN 0.449 nan 8.270 nan 0.000 0.424 127 Q N 0.119 120.027 119.800 0.180 0.000 2.376 127 Q HA 0.076 4.416 4.340 0.000 0.000 0.206 127 Q C -0.191 175.874 176.000 0.107 0.000 0.921 127 Q CA 0.443 56.305 55.803 0.100 0.000 0.911 127 Q CB 0.508 29.220 28.738 -0.045 0.000 1.032 127 Q HN 0.393 nan 8.270 nan 0.000 0.510 128 E N 1.444 121.710 120.200 0.110 0.000 2.217 128 E HA 0.095 4.445 4.350 0.000 0.000 0.279 128 E C -0.379 176.213 176.600 -0.014 0.000 1.068 128 E CA -0.190 56.234 56.400 0.039 0.000 0.882 128 E CB 0.797 30.515 29.700 0.030 0.000 1.039 128 E HN 0.039 nan 8.360 nan 0.000 0.418 129 I N 6.102 126.649 120.570 -0.039 0.000 2.379 129 I HA 0.151 4.321 4.170 0.000 0.000 0.290 129 I C -1.665 174.296 176.117 -0.261 0.000 1.063 129 I CA -2.196 59.035 61.300 -0.114 0.000 1.351 129 I CB -0.494 37.500 38.000 -0.009 0.000 1.410 129 I HN 0.335 nan 8.210 nan 0.000 0.505 130 P HA 0.346 nan 4.420 nan 0.000 0.293 130 P C -0.124 177.014 177.300 -0.271 0.000 1.304 130 P CA -0.416 62.430 63.100 -0.423 0.000 0.767 130 P CB 0.329 31.629 31.700 -0.667 0.000 1.247 131 E N -0.653 119.418 120.200 -0.214 0.000 2.376 131 E HA 0.445 4.795 4.350 0.000 0.000 0.266 131 E C 0.117 176.628 176.600 -0.148 0.000 1.009 131 E CA -0.309 56.003 56.400 -0.147 0.000 0.902 131 E CB -0.410 29.220 29.700 -0.116 0.000 0.972 131 E HN 0.671 nan 8.360 nan 0.000 0.439 132 A N 2.808 125.561 122.820 -0.112 0.000 2.320 132 A HA 0.457 4.777 4.320 0.000 0.000 0.287 132 A C 0.198 177.734 177.584 -0.080 0.000 1.181 132 A CA -0.303 51.673 52.037 -0.103 0.000 0.831 132 A CB 0.412 19.362 19.000 -0.083 0.000 1.102 132 A HN 0.692 nan 8.150 nan 0.000 0.513 133 D N 1.095 121.441 120.400 -0.091 0.000 2.183 133 D HA 0.092 4.732 4.640 0.000 0.000 0.205 133 D C 0.247 176.530 176.300 -0.029 0.000 0.962 133 D CA 1.313 55.278 54.000 -0.059 0.000 0.849 133 D CB 0.110 40.866 40.800 -0.074 0.000 0.978 133 D HN 0.259 nan 8.370 nan 0.000 0.488 134 V N 0.211 120.085 119.914 -0.067 0.000 2.709 134 V HA 0.423 4.543 4.120 0.000 0.000 0.308 134 V C -0.376 175.680 176.094 -0.062 0.000 1.062 134 V CA -0.655 61.633 62.300 -0.020 0.000 0.901 134 V CB 2.423 34.201 31.823 -0.076 0.000 1.003 134 V HN -0.151 nan 8.190 nan 0.000 0.425 135 T N 3.571 118.117 114.554 -0.012 0.000 2.840 135 T HA 0.634 4.984 4.350 0.000 0.000 0.287 135 T C -0.633 173.982 174.700 -0.142 0.000 0.991 135 T CA -0.391 61.665 62.100 -0.072 0.000 0.964 135 T CB 1.524 70.369 68.868 -0.038 0.000 0.954 135 T HN 0.379 nan 8.240 nan 0.000 0.438 136 V N 3.497 123.264 119.914 -0.244 0.000 2.555 136 V HA 0.562 4.682 4.120 0.000 0.000 0.302 136 V C -0.043 175.890 176.094 -0.267 0.000 1.038 136 V CA -1.038 61.036 62.300 -0.377 0.000 0.887 136 V CB 1.976 33.510 31.823 -0.481 0.000 0.991 136 V HN 0.750 nan 8.190 nan 0.000 0.434 137 K N 3.618 123.883 120.400 -0.225 0.000 2.367 137 K HA 0.673 4.993 4.320 0.000 0.000 0.263 137 K C -1.421 175.039 176.600 -0.234 0.000 1.000 137 K CA -0.383 55.790 56.287 -0.190 0.000 0.891 137 K CB 1.551 33.986 32.500 -0.108 0.000 1.117 137 K HN 0.517 nan 8.250 nan 0.000 0.443 138 V N 3.650 123.367 119.914 -0.328 0.000 2.435 138 V HA 0.376 4.496 4.120 0.000 0.000 0.290 138 V C -0.364 175.580 176.094 -0.250 0.000 1.030 138 V CA -0.595 61.440 62.300 -0.442 0.000 0.881 138 V CB 1.774 33.113 31.823 -0.806 0.000 0.983 138 V HN 0.838 nan 8.190 nan 0.000 0.445 139 T N 3.285 117.731 114.554 -0.180 0.000 2.812 139 T HA 0.557 4.908 4.350 0.000 0.000 0.282 139 T C 0.293 174.821 174.700 -0.285 0.000 0.990 139 T CA -0.415 61.550 62.100 -0.225 0.000 0.960 139 T CB 1.614 70.297 68.868 -0.310 0.000 0.948 139 T HN 0.930 nan 8.240 nan 0.000 0.438 140 G N 2.093 110.615 108.800 -0.463 0.000 2.353 140 G HA2 0.562 4.523 3.960 0.000 0.000 0.284 140 G HA3 0.562 4.523 3.960 0.000 0.000 0.284 140 G C -1.360 172.708 174.900 -1.387 0.000 1.172 140 G CA -0.177 44.252 45.100 -1.118 0.000 0.854 140 G HN 0.585 nan 8.290 nan 0.000 0.485 141 Y N -0.258 119.182 120.300 -1.434 0.000 2.570 141 Y HA 0.363 4.913 4.550 0.000 0.000 0.345 141 Y C 0.523 175.744 175.900 -1.132 0.000 1.014 141 Y CA -0.909 56.489 58.100 -1.169 0.000 1.063 141 Y CB 1.942 39.471 38.460 -1.552 0.000 1.272 141 Y HN 0.418 nan 8.280 nan 0.000 0.477 142 Q N 2.191 121.580 119.800 -0.686 0.000 2.344 142 Q HA 0.130 4.470 4.340 0.000 0.000 0.253 142 Q C -1.365 174.348 176.000 -0.479 0.000 1.050 142 Q CA 0.079 55.126 55.803 -1.260 0.000 0.912 142 Q CB 0.673 28.276 28.738 -1.892 0.000 1.258 142 Q HN 0.520 nan 8.270 nan 0.000 0.443 143 W N 5.519 126.954 121.300 0.225 0.000 2.485 143 W HA 0.284 4.944 4.660 0.000 0.000 0.297 143 W C -0.856 175.732 176.519 0.115 0.000 0.999 143 W CA -0.633 56.759 57.345 0.077 0.000 1.512 143 W CB 0.517 30.074 29.460 0.161 0.000 1.322 143 W HN 0.628 nan 8.180 nan 0.000 0.419 144 Y N -0.466 119.715 120.300 -0.198 0.000 2.851 144 Y HA 0.525 5.075 4.550 0.000 0.000 0.359 144 Y C -2.035 173.598 175.900 -0.445 0.000 1.231 144 Y CA -2.498 55.425 58.100 -0.295 0.000 1.106 144 Y CB 0.380 38.522 38.460 -0.530 0.000 1.409 144 Y HN 0.077 nan 8.280 nan 0.000 0.454 145 W N 0.953 122.295 121.300 0.070 0.000 2.632 145 W HA 0.738 5.399 4.660 0.001 0.000 0.328 145 W C 0.082 176.611 176.519 0.016 0.000 1.044 145 W CA -1.044 56.280 57.345 -0.035 0.000 1.225 145 W CB 2.452 31.885 29.460 -0.045 0.000 1.396 145 W HN 0.909 nan 8.180 nan 0.000 0.499 146 G N 1.959 110.883 108.800 0.206 0.000 2.343 146 G HA2 0.587 4.547 3.960 0.000 0.000 0.319 146 G HA3 0.587 4.547 3.960 0.000 0.000 0.319 146 G C -1.969 172.783 174.900 -0.247 0.000 1.126 146 G CA -0.436 44.737 45.100 0.122 0.000 0.889 146 G HN 0.418 nan 8.290 nan 0.000 0.457 147 Y N 0.369 120.551 120.300 -0.197 0.000 2.393 147 Y HA 0.533 5.083 4.550 0.000 0.000 0.341 147 Y C 0.373 176.103 175.900 -0.284 0.000 0.988 147 Y CA -0.761 57.123 58.100 -0.361 0.000 1.078 147 Y CB 2.548 40.629 38.460 -0.633 0.000 1.203 147 Y HN 0.496 nan 8.280 nan 0.000 0.453 148 E N 2.561 122.754 120.200 -0.013 0.000 2.263 148 E HA 0.307 4.657 4.350 0.000 0.000 0.268 148 E C -1.997 174.652 176.600 0.081 0.000 0.884 148 E CA -0.848 55.609 56.400 0.095 0.000 0.766 148 E CB 1.120 30.851 29.700 0.052 0.000 1.196 148 E HN 0.611 nan 8.360 nan 0.000 0.416 149 Y N 5.330 125.703 120.300 0.122 0.000 2.595 149 Y HA 0.233 4.783 4.550 0.000 0.000 0.336 149 Y C -1.536 174.418 175.900 0.090 0.000 0.996 149 Y CA -2.220 55.961 58.100 0.134 0.000 1.260 149 Y CB 0.916 39.500 38.460 0.206 0.000 1.108 149 Y HN 0.471 nan 8.280 nan 0.000 0.509 150 P HA -0.171 nan 4.420 nan 0.000 0.216 150 P C 0.670 178.037 177.300 0.112 0.000 1.150 150 P CA 1.523 64.688 63.100 0.108 0.000 0.837 150 P CB 0.606 32.340 31.700 0.056 0.000 0.786 151 D N -0.023 120.453 120.400 0.127 0.000 2.218 151 D HA -0.116 4.524 4.640 0.000 0.000 0.204 151 D C 1.458 177.819 176.300 0.100 0.000 0.976 151 D CA 1.043 55.107 54.000 0.106 0.000 0.853 151 D CB -0.110 40.759 40.800 0.114 0.000 0.939 151 D HN 0.334 nan 8.370 nan 0.000 0.481 152 E N 0.148 120.429 120.200 0.135 0.000 2.498 152 E HA 0.049 4.399 4.350 0.000 0.000 0.203 152 E C -0.047 176.594 176.600 0.067 0.000 1.013 152 E CA -0.107 56.333 56.400 0.067 0.000 0.927 152 E CB 0.459 30.167 29.700 0.013 0.000 1.012 152 E HN 0.306 nan 8.360 nan 0.000 0.482 153 E N 0.714 120.977 120.200 0.106 0.000 2.440 153 E HA -0.208 4.143 4.350 0.000 0.000 0.246 153 E C -0.477 176.187 176.600 0.107 0.000 1.165 153 E CA 0.343 56.806 56.400 0.106 0.000 0.726 153 E CB -1.389 28.368 29.700 0.095 0.000 1.271 153 E HN 0.335 nan 8.360 nan 0.000 0.397 154 I N 0.862 121.511 120.570 0.132 0.000 2.404 154 I HA 0.337 4.507 4.170 0.000 0.000 0.293 154 I C 0.240 176.534 176.117 0.295 0.000 0.992 154 I CA -0.534 60.843 61.300 0.127 0.000 1.149 154 I CB 1.773 39.691 38.000 -0.136 0.000 1.315 154 I HN 0.081 nan 8.210 nan 0.000 0.446 155 S N 6.278 122.169 115.700 0.317 0.000 2.546 155 S HA 0.833 5.303 4.470 0.000 0.000 0.272 155 S C -0.942 173.913 174.600 0.424 0.000 1.140 155 S CA -0.680 57.700 58.200 0.299 0.000 0.920 155 S CB 1.744 65.058 63.200 0.189 0.000 1.083 155 S HN 0.562 nan 8.310 nan 0.000 0.476 156 F N -0.834 119.308 119.950 0.320 0.000 2.686 156 F HA 0.919 5.446 4.527 0.000 0.000 0.311 156 F C -0.982 175.038 175.800 0.366 0.000 1.128 156 F CA -1.107 57.083 58.000 0.318 0.000 0.946 156 F CB 0.539 39.744 39.000 0.341 0.000 1.336 156 F HN 0.488 nan 8.300 nan 0.000 0.457 157 E N 0.131 120.623 120.200 0.487 0.000 2.222 157 E HA 0.623 4.973 4.350 0.000 0.000 0.267 157 E C -1.278 175.617 176.600 0.492 0.000 0.963 157 E CA -1.046 55.568 56.400 0.356 0.000 0.837 157 E CB 1.886 31.660 29.700 0.124 0.000 1.183 157 E HN 0.662 nan 8.360 nan 0.000 0.403 158 S N 1.667 117.575 115.700 0.347 0.000 2.756 158 S HA 0.485 4.955 4.470 0.000 0.000 0.303 158 S C -1.744 172.998 174.600 0.237 0.000 1.135 158 S CA -0.566 57.923 58.200 0.482 0.000 1.066 158 S CB -0.058 63.603 63.200 0.769 0.000 1.008 158 S HN 0.393 nan 8.310 nan 0.000 0.482 159 Y N 2.705 123.220 120.300 0.358 0.000 2.446 159 Y HA 0.467 5.018 4.550 0.000 0.000 0.338 159 Y C 0.626 176.676 175.900 0.251 0.000 1.055 159 Y CA -1.052 57.218 58.100 0.283 0.000 1.101 159 Y CB 1.325 39.882 38.460 0.161 0.000 1.221 159 Y HN 0.575 nan 8.280 nan 0.000 0.460 160 M N 3.521 123.342 119.600 0.368 0.000 2.251 160 M HA 0.153 4.633 4.480 0.000 0.000 0.343 160 M C -0.686 175.740 176.300 0.209 0.000 1.245 160 M CA 0.356 55.792 55.300 0.226 0.000 1.061 160 M CB 0.173 32.866 32.600 0.154 0.000 1.723 160 M HN 0.600 nan 8.290 nan 0.000 0.449 161 I N 5.329 125.999 120.570 0.166 0.000 2.494 161 I HA 0.115 4.285 4.170 0.000 0.000 0.289 161 I C 1.119 177.379 176.117 0.239 0.000 1.106 161 I CA 0.803 62.216 61.300 0.188 0.000 1.369 161 I CB -0.025 38.090 38.000 0.191 0.000 1.410 161 I HN 1.078 nan 8.210 nan 0.000 0.523 162 G N 3.746 112.671 108.800 0.209 0.000 2.367 162 G HA2 -0.211 3.750 3.960 0.000 0.000 0.181 162 G HA3 -0.211 3.750 3.960 0.000 0.000 0.181 162 G C 0.267 175.232 174.900 0.110 0.000 1.000 162 G CA -0.017 45.227 45.100 0.240 0.000 0.693 162 G HN 0.656 nan 8.290 nan 0.000 0.480 163 S N 0.846 116.608 115.700 0.104 0.000 2.600 163 S HA 0.562 5.032 4.470 0.000 0.000 0.265 163 S C -0.817 173.809 174.600 0.043 0.000 1.325 163 S CA -0.243 58.006 58.200 0.081 0.000 1.002 163 S CB 2.007 65.324 63.200 0.194 0.000 0.921 163 S HN -0.017 nan 8.310 nan 0.000 0.554 164 P HA -0.086 nan 4.420 nan 0.000 0.216 164 P C 1.468 178.747 177.300 -0.036 0.000 1.150 164 P CA 1.978 65.083 63.100 0.008 0.000 0.843 164 P CB -0.285 31.436 31.700 0.035 0.000 0.787 165 A N -0.725 122.044 122.820 -0.085 0.000 2.125 165 A HA -0.127 4.193 4.320 0.000 0.000 0.219 165 A C 1.925 179.374 177.584 -0.226 0.000 1.156 165 A CA 2.073 53.942 52.037 -0.279 0.000 0.671 165 A CB -1.630 16.909 19.000 -0.767 0.000 0.794 165 A HN 0.363 nan 8.150 nan 0.000 0.459 166 T N -5.476 109.020 114.554 -0.098 0.000 3.069 166 T HA 0.446 4.797 4.350 0.000 0.000 0.252 166 T C 1.276 175.968 174.700 -0.015 0.000 1.053 166 T CA 0.986 63.066 62.100 -0.034 0.000 0.964 166 T CB 0.378 69.271 68.868 0.042 0.000 1.005 166 T HN 1.554 nan 8.240 nan 0.000 0.532 167 G N 0.165 108.950 108.800 -0.026 0.000 2.213 167 G HA2 -0.046 3.914 3.960 0.000 0.000 0.226 167 G HA3 -0.046 3.914 3.960 0.000 0.000 0.226 167 G C 0.470 175.363 174.900 -0.011 0.000 0.992 167 G CA -0.229 44.860 45.100 -0.018 0.000 0.632 167 G HN 0.998 nan 8.290 nan 0.000 0.511 168 G N -0.024 108.775 108.800 -0.002 0.000 2.537 168 G HA2 0.568 4.528 3.960 0.000 0.000 0.297 168 G HA3 0.568 4.528 3.960 0.000 0.000 0.297 168 G C -0.058 174.830 174.900 -0.020 0.000 1.310 168 G CA 0.502 45.599 45.100 -0.006 0.000 1.027 168 G HN 0.713 nan 8.290 nan 0.000 0.505 169 D N -1.907 118.468 120.400 -0.041 0.000 2.952 169 D HA 0.148 4.788 4.640 0.000 0.000 0.373 169 D C 0.280 176.490 176.300 -0.150 0.000 1.360 169 D CA -0.910 53.045 54.000 -0.075 0.000 0.788 169 D CB -0.389 40.377 40.800 -0.056 0.000 1.192 169 D HN 0.235 nan 8.370 nan 0.000 0.462 170 N N 0.623 119.218 118.700 -0.174 0.000 2.882 170 N HA -0.163 4.577 4.740 0.000 0.000 0.249 170 N C -0.663 174.745 175.510 -0.171 0.000 1.079 170 N CA 0.892 53.686 53.050 -0.426 0.000 0.800 170 N CB -1.038 36.778 38.487 -1.117 0.000 1.124 170 N HN 0.708 nan 8.380 nan 0.000 0.557 171 R N -1.494 119.030 120.500 0.040 0.000 2.867 171 R HA 0.682 5.022 4.340 0.000 0.000 0.268 171 R C 0.052 176.175 176.300 -0.295 0.000 1.014 171 R CA -1.071 55.053 56.100 0.041 0.000 0.946 171 R CB 0.735 31.013 30.300 -0.036 0.000 1.208 171 R HN -0.049 nan 8.270 nan 0.000 0.477 172 M N 2.120 121.352 119.600 -0.612 0.000 2.249 172 M HA 0.230 4.710 4.480 0.000 0.000 0.340 172 M C -0.773 175.317 176.300 -0.349 0.000 1.166 172 M CA 0.827 55.673 55.300 -0.756 0.000 1.115 172 M CB 0.576 32.815 32.600 -0.602 0.000 1.606 172 M HN 0.877 nan 8.290 nan 0.000 0.448 173 S N 4.064 119.588 115.700 -0.292 0.000 2.615 173 S HA 0.679 5.149 4.470 0.000 0.000 0.269 173 S C -2.677 171.847 174.600 -0.128 0.000 1.161 173 S CA -0.978 57.124 58.200 -0.163 0.000 0.817 173 S CB 1.060 64.186 63.200 -0.123 0.000 1.131 173 S HN 0.503 nan 8.310 nan 0.000 0.467 174 P HA -0.044 nan 4.420 nan 0.000 0.215 174 P C 0.987 178.258 177.300 -0.048 0.000 1.157 174 P CA 1.523 64.588 63.100 -0.060 0.000 0.868 174 P CB -0.050 31.624 31.700 -0.043 0.000 0.788 175 E N -0.644 119.529 120.200 -0.045 0.000 2.085 175 E HA -0.132 4.218 4.350 0.000 0.000 0.194 175 E C 2.038 178.623 176.600 -0.024 0.000 0.994 175 E CA 1.016 57.399 56.400 -0.028 0.000 0.801 175 E CB -1.327 28.359 29.700 -0.024 0.000 0.743 175 E HN 0.027 nan 8.360 nan 0.000 0.453 176 V N 0.803 120.684 119.914 -0.054 0.000 2.358 176 V HA -0.247 3.873 4.120 0.000 0.000 0.246 176 V C 2.344 178.419 176.094 -0.032 0.000 1.047 176 V CA 1.993 64.264 62.300 -0.048 0.000 1.035 176 V CB -0.422 31.314 31.823 -0.145 0.000 0.658 176 V HN 0.304 nan 8.190 nan 0.000 0.452 177 E N -0.269 119.890 120.200 -0.069 0.000 2.118 177 E HA -0.323 4.028 4.350 0.000 0.000 0.195 177 E C 2.214 178.821 176.600 0.011 0.000 0.992 177 E CA 1.535 57.915 56.400 -0.033 0.000 0.804 177 E CB -0.008 29.661 29.700 -0.052 0.000 0.741 177 E HN 0.552 nan 8.360 nan 0.000 0.458 178 Q N 0.603 120.406 119.800 0.006 0.000 2.079 178 Q HA -0.149 4.191 4.340 0.000 0.000 0.200 178 Q C 1.964 177.991 176.000 0.044 0.000 0.974 178 Q CA 1.795 57.610 55.803 0.020 0.000 0.840 178 Q CB -0.013 28.730 28.738 0.008 0.000 0.898 178 Q HN 0.360 nan 8.270 nan 0.000 0.430 179 Q N -0.467 119.365 119.800 0.054 0.000 2.124 179 Q HA -0.136 4.205 4.340 0.000 0.000 0.202 179 Q C 2.115 178.195 176.000 0.133 0.000 0.977 179 Q CA 1.326 57.180 55.803 0.085 0.000 0.850 179 Q CB -0.114 28.678 28.738 0.090 0.000 0.901 179 Q HN 0.362 nan 8.270 nan 0.000 0.429 180 L N 0.086 121.397 121.223 0.146 0.000 2.046 180 L HA -0.202 4.138 4.340 0.000 0.000 0.208 180 L C 2.243 179.231 176.870 0.196 0.000 1.077 180 L CA 1.042 56.017 54.840 0.225 0.000 0.747 180 L CB -0.248 41.924 42.059 0.188 0.000 0.896 180 L HN 0.235 nan 8.230 nan 0.000 0.432 181 I N -0.532 120.104 120.570 0.110 0.000 2.252 181 I HA -0.270 3.900 4.170 0.000 0.000 0.245 181 I C 2.369 178.509 176.117 0.039 0.000 1.102 181 I CA 1.272 62.612 61.300 0.066 0.000 1.385 181 I CB -0.229 37.796 38.000 0.041 0.000 1.064 181 I HN 0.241 nan 8.210 nan 0.000 0.414 182 E N 0.714 120.942 120.200 0.046 0.000 2.153 182 E HA -0.189 4.161 4.350 0.000 0.000 0.194 182 E C 2.035 178.648 176.600 0.021 0.000 0.988 182 E CA 1.198 57.617 56.400 0.031 0.000 0.811 182 E CB -0.121 29.602 29.700 0.039 0.000 0.746 182 E HN 0.511 nan 8.360 nan 0.000 0.466 183 A N -0.196 122.654 122.820 0.050 0.000 2.251 183 A HA 0.288 4.608 4.320 0.000 0.000 0.209 183 A C 1.553 178.981 177.584 -0.260 0.000 1.187 183 A CA 0.730 52.772 52.037 0.008 0.000 0.823 183 A CB -0.077 19.050 19.000 0.212 0.000 0.846 183 A HN 0.309 nan 8.150 nan 0.000 0.486 184 G N -2.292 106.382 108.800 -0.210 0.000 2.130 184 G HA2 -0.234 3.727 3.960 0.000 0.000 0.216 184 G HA3 -0.234 3.727 3.960 0.000 0.000 0.216 184 G C -0.211 174.470 174.900 -0.366 0.000 0.999 184 G CA 0.306 45.230 45.100 -0.294 0.000 0.686 184 G HN 0.431 nan 8.290 nan 0.000 0.515 185 Y N 0.501 120.846 120.300 0.074 0.000 2.621 185 Y HA 0.768 5.318 4.550 0.000 0.000 0.334 185 Y C 0.910 176.846 175.900 0.060 0.000 1.074 185 Y CA -0.554 57.597 58.100 0.084 0.000 1.149 185 Y CB 1.478 40.005 38.460 0.113 0.000 1.302 185 Y HN 0.408 nan 8.280 nan 0.000 0.501 186 S N 0.492 116.336 115.700 0.239 0.000 2.690 186 S HA 0.386 4.856 4.470 0.000 0.000 0.285 186 S C 0.863 175.536 174.600 0.121 0.000 1.135 186 S CA -0.672 57.609 58.200 0.136 0.000 1.020 186 S CB 1.018 64.276 63.200 0.096 0.000 1.159 186 S HN 0.782 nan 8.310 nan 0.000 0.534 187 R N -0.277 120.267 120.500 0.073 0.000 2.275 187 R HA 0.131 4.471 4.340 0.000 0.000 0.199 187 R C 0.385 176.725 176.300 0.067 0.000 0.989 187 R CA 0.778 56.912 56.100 0.056 0.000 1.016 187 R CB -0.599 29.704 30.300 0.005 0.000 0.918 187 R HN 0.498 nan 8.270 nan 0.000 0.473 188 D N 1.840 122.272 120.400 0.054 0.000 2.219 188 D HA -0.116 4.524 4.640 0.000 0.000 0.205 188 D C 0.723 177.019 176.300 -0.006 0.000 0.970 188 D CA 1.129 55.150 54.000 0.034 0.000 0.851 188 D CB 0.102 40.920 40.800 0.031 0.000 0.943 188 D HN 0.349 nan 8.370 nan 0.000 0.488 189 E N -0.264 119.920 120.200 -0.027 0.000 2.494 189 E HA 0.047 4.397 4.350 0.000 0.000 0.193 189 E C 0.125 176.574 176.600 -0.252 0.000 1.074 189 E CA -0.374 55.888 56.400 -0.230 0.000 0.867 189 E CB -0.313 29.233 29.700 -0.257 0.000 0.924 189 E HN 0.141 nan 8.360 nan 0.000 0.502 190 F N 0.602 120.437 119.950 -0.190 0.000 2.563 190 F HA 0.026 4.553 4.527 0.000 0.000 0.363 190 F C 1.050 176.759 175.800 -0.153 0.000 1.123 190 F CA 0.252 58.164 58.000 -0.146 0.000 1.307 190 F CB 0.307 39.263 39.000 -0.074 0.000 1.115 190 F HN 0.053 nan 8.300 nan 0.000 0.592 191 L N 2.906 123.473 121.223 -1.093 0.000 4.610 191 L HA -0.365 3.976 4.340 0.000 0.000 0.397 191 L C 1.070 177.674 176.870 -0.442 0.000 0.806 191 L CA 1.006 55.406 54.840 -0.733 0.000 2.169 191 L CB -1.559 40.188 42.059 -0.519 0.000 1.402 191 L HN 0.700 nan 8.230 nan 0.000 0.603 192 L N -1.048 119.852 121.223 -0.540 0.000 2.467 192 L HA 0.417 4.757 4.340 0.000 0.000 0.213 192 L C 1.409 177.874 176.870 -0.675 0.000 1.053 192 L CA 0.622 55.040 54.840 -0.702 0.000 0.847 192 L CB 0.109 41.427 42.059 -1.234 0.000 1.075 192 L HN 0.258 nan 8.230 nan 0.000 0.479 193 A N 0.937 123.348 122.820 -0.681 0.000 2.401 193 A HA 0.473 4.793 4.320 0.000 0.000 0.259 193 A C 0.278 177.799 177.584 -0.104 0.000 1.103 193 A CA -0.018 51.714 52.037 -0.509 0.000 0.789 193 A CB -0.023 18.447 19.000 -0.884 0.000 1.035 193 A HN 0.318 nan 8.150 nan 0.000 0.491 194 T N -0.726 113.888 114.554 0.101 0.000 2.950 194 T HA 0.473 4.823 4.350 0.000 0.000 0.288 194 T C 0.656 175.546 174.700 0.318 0.000 1.035 194 T CA -0.004 62.244 62.100 0.247 0.000 1.028 194 T CB 1.452 70.518 68.868 0.331 0.000 1.109 194 T HN 0.629 nan 8.240 nan 0.000 0.514 195 D N 0.602 121.201 120.400 0.332 0.000 2.178 195 D HA -0.052 4.588 4.640 0.000 0.000 0.202 195 D C 0.907 177.390 176.300 0.306 0.000 0.974 195 D CA 1.268 55.453 54.000 0.310 0.000 0.841 195 D CB -0.724 40.248 40.800 0.286 0.000 0.953 195 D HN 0.781 nan 8.370 nan 0.000 0.478 196 T N -2.736 112.031 114.554 0.354 0.000 2.876 196 T HA 0.773 5.123 4.350 0.000 0.000 0.289 196 T C -0.534 174.372 174.700 0.343 0.000 1.014 196 T CA -0.704 61.581 62.100 0.309 0.000 0.986 196 T CB 2.276 71.351 68.868 0.345 0.000 1.021 196 T HN 0.291 nan 8.240 nan 0.000 0.458 197 A N 3.321 126.276 122.820 0.225 0.000 2.330 197 A HA 0.792 5.112 4.320 0.000 0.000 0.329 197 A C -0.048 177.627 177.584 0.151 0.000 1.135 197 A CA -1.191 50.950 52.037 0.174 0.000 0.817 197 A CB 1.352 20.416 19.000 0.108 0.000 1.269 197 A HN 1.111 nan 8.150 nan 0.000 0.469 198 M N 2.684 122.295 119.600 0.018 0.000 2.105 198 M HA 0.489 4.970 4.480 0.000 0.000 0.350 198 M C -1.574 174.733 176.300 0.010 0.000 1.308 198 M CA -0.218 55.112 55.300 0.049 0.000 1.108 198 M CB 0.137 32.606 32.600 -0.219 0.000 1.622 198 M HN 0.347 nan 8.290 nan 0.000 0.468 199 V N 6.583 126.373 119.914 -0.206 0.000 2.439 199 V HA 0.636 4.756 4.120 0.000 0.000 0.282 199 V C -0.177 175.853 176.094 -0.107 0.000 1.039 199 V CA -0.580 61.459 62.300 -0.435 0.000 0.913 199 V CB 1.314 32.318 31.823 -1.365 0.000 0.983 199 V HN 0.761 nan 8.190 nan 0.000 0.460 200 V N 3.139 122.994 119.914 -0.100 0.000 3.007 200 V HA 0.763 4.883 4.120 0.000 0.000 0.311 200 V C -2.852 173.036 176.094 -0.344 0.000 1.120 200 V CA -2.552 59.578 62.300 -0.284 0.000 0.980 200 V CB 2.380 34.148 31.823 -0.091 0.000 1.033 200 V HN 0.656 nan 8.190 nan 0.000 0.429 201 P HA 0.234 nan 4.420 nan 0.000 0.275 201 P C -0.011 177.200 177.300 -0.148 0.000 1.228 201 P CA 0.058 62.997 63.100 -0.269 0.000 0.786 201 P CB 1.711 33.246 31.700 -0.276 0.000 0.927 202 V N 3.448 123.330 119.914 -0.053 0.000 3.096 202 V HA 0.021 4.141 4.120 0.000 0.000 0.306 202 V C 1.083 177.147 176.094 -0.049 0.000 1.088 202 V CA 0.226 62.507 62.300 -0.032 0.000 1.129 202 V CB -0.729 31.103 31.823 0.015 0.000 1.014 202 V HN 0.740 nan 8.190 nan 0.000 0.486 203 N N 2.313 120.984 118.700 -0.049 0.000 2.708 203 N HA -0.147 4.593 4.740 0.000 0.000 0.249 203 N C -0.536 174.936 175.510 -0.063 0.000 1.097 203 N CA 1.060 54.084 53.050 -0.044 0.000 0.710 203 N CB -0.578 37.895 38.487 -0.022 0.000 1.032 203 N HN 0.617 nan 8.380 nan 0.000 0.551 204 K N 0.205 120.542 120.400 -0.104 0.000 2.375 204 K HA 0.354 4.674 4.320 0.000 0.000 0.249 204 K C -0.122 176.372 176.600 -0.177 0.000 0.942 204 K CA -0.436 55.776 56.287 -0.126 0.000 0.806 204 K CB 1.526 33.941 32.500 -0.142 0.000 1.227 204 K HN -0.164 nan 8.250 nan 0.000 0.430 205 T N 1.731 116.192 114.554 -0.154 0.000 2.752 205 T HA 0.182 4.532 4.350 0.000 0.000 0.295 205 T C 0.131 174.678 174.700 -0.255 0.000 0.923 205 T CA -0.332 61.669 62.100 -0.165 0.000 1.112 205 T CB 0.153 68.929 68.868 -0.152 0.000 0.884 205 T HN 0.125 nan 8.240 nan 0.000 0.525 206 V N 5.090 124.730 119.914 -0.457 0.000 2.370 206 V HA 0.347 4.467 4.120 0.000 0.000 0.279 206 V C 0.196 176.064 176.094 -0.376 0.000 1.029 206 V CA -0.769 61.185 62.300 -0.577 0.000 0.870 206 V CB 1.538 32.642 31.823 -1.200 0.000 0.984 206 V HN 0.609 nan 8.190 nan 0.000 0.451 207 V N 6.011 125.801 119.914 -0.206 0.000 2.370 207 V HA 0.420 4.540 4.120 0.000 0.000 0.283 207 V C -0.080 175.937 176.094 -0.128 0.000 1.023 207 V CA -0.458 61.786 62.300 -0.093 0.000 0.857 207 V CB 1.878 33.666 31.823 -0.059 0.000 0.985 207 V HN 0.639 nan 8.190 nan 0.000 0.443 208 V N 5.576 125.427 119.914 -0.105 0.000 2.435 208 V HA 0.425 4.545 4.120 0.000 0.000 0.290 208 V C -0.166 175.825 176.094 -0.172 0.000 1.030 208 V CA -0.645 61.533 62.300 -0.204 0.000 0.881 208 V CB 1.650 33.272 31.823 -0.335 0.000 0.983 208 V HN 0.901 nan 8.190 nan 0.000 0.445 209 Q N 3.251 122.933 119.800 -0.196 0.000 2.347 209 Q HA 0.620 4.960 4.340 0.000 0.000 0.262 209 Q C -1.123 174.767 176.000 -0.184 0.000 0.980 209 Q CA -0.475 55.241 55.803 -0.146 0.000 0.867 209 Q CB 2.315 30.987 28.738 -0.110 0.000 1.242 209 Q HN 0.618 nan 8.270 nan 0.000 0.453 210 V N 1.914 121.746 119.914 -0.136 0.000 2.513 210 V HA 0.690 4.811 4.120 0.000 0.000 0.299 210 V C -0.025 176.034 176.094 -0.058 0.000 1.035 210 V CA -0.485 61.745 62.300 -0.118 0.000 0.889 210 V CB 1.836 33.624 31.823 -0.058 0.000 0.988 210 V HN 0.782 nan 8.190 nan 0.000 0.440 211 T N 2.316 116.836 114.554 -0.057 0.000 2.821 211 T HA 0.695 5.046 4.350 0.000 0.000 0.306 211 T C -0.353 174.297 174.700 -0.085 0.000 1.313 211 T CA 0.076 62.139 62.100 -0.060 0.000 1.012 211 T CB 1.879 70.694 68.868 -0.088 0.000 1.298 211 T HN 1.062 nan 8.240 nan 0.000 0.502 212 G N 0.174 108.917 108.800 -0.095 0.000 2.400 212 G HA2 0.618 4.578 3.960 0.000 0.000 0.333 212 G HA3 0.618 4.578 3.960 0.000 0.000 0.333 212 G C 0.636 175.386 174.900 -0.250 0.000 1.143 212 G CA -0.053 44.959 45.100 -0.148 0.000 0.914 212 G HN 0.923 nan 8.290 nan 0.000 0.480 213 A N 0.406 122.976 122.820 -0.417 0.000 2.169 213 A HA 0.308 4.628 4.320 0.000 0.000 0.210 213 A C 1.376 178.831 177.584 -0.214 0.000 1.168 213 A CA 1.626 53.430 52.037 -0.389 0.000 0.813 213 A CB 0.149 18.716 19.000 -0.722 0.000 0.861 213 A HN 0.612 nan 8.150 nan 0.000 0.481 214 D N -1.782 118.506 120.400 -0.187 0.000 2.900 214 D HA 0.222 4.862 4.640 0.000 0.000 0.175 214 D C 0.554 176.767 176.300 -0.144 0.000 1.476 214 D CA 0.967 54.882 54.000 -0.142 0.000 1.488 214 D CB -0.363 40.344 40.800 -0.156 0.000 1.426 214 D HN 0.516 nan 8.370 nan 0.000 0.295 215 V N -1.132 118.667 119.914 -0.191 0.000 3.182 215 V HA 0.614 4.734 4.120 0.000 0.000 0.311 215 V C -0.164 175.749 176.094 -0.301 0.000 1.221 215 V CA -1.364 60.787 62.300 -0.248 0.000 1.060 215 V CB 1.651 33.293 31.823 -0.302 0.000 1.164 215 V HN 0.139 nan 8.190 nan 0.000 0.466 216 I N 2.527 122.927 120.570 -0.284 0.000 2.496 216 I HA 0.371 4.541 4.170 0.000 0.000 0.285 216 I C 0.422 176.317 176.117 -0.370 0.000 1.080 216 I CA 0.088 61.263 61.300 -0.207 0.000 1.404 216 I CB -0.026 37.908 38.000 -0.111 0.000 1.403 216 I HN 0.683 nan 8.210 nan 0.000 0.539 217 H N 3.499 122.546 119.070 -0.039 0.000 2.896 217 H HA 0.538 5.095 4.556 0.000 0.000 0.318 217 H C -0.831 174.633 175.328 0.226 0.000 1.409 217 H CA -0.927 55.147 56.048 0.044 0.000 1.328 217 H CB 2.150 31.806 29.762 -0.176 0.000 1.940 217 H HN 0.414 nan 8.280 nan 0.000 0.665 218 S N 0.151 116.178 115.700 0.546 0.000 2.677 218 S HA 0.183 4.653 4.470 0.000 0.000 0.283 218 S C -1.739 173.160 174.600 0.498 0.000 1.159 218 S CA -0.679 57.794 58.200 0.455 0.000 1.001 218 S CB 0.592 63.947 63.200 0.258 0.000 1.032 218 S HN 0.482 nan 8.310 nan 0.000 0.487 219 W N 4.230 125.607 121.300 0.128 0.000 2.338 219 W HA 0.618 5.278 4.660 0.000 0.000 0.307 219 W C 0.011 176.446 176.519 -0.140 0.000 1.167 219 W CA 0.149 57.329 57.345 -0.275 0.000 1.208 219 W CB 1.354 30.517 29.460 -0.495 0.000 1.228 219 W HN 0.571 nan 8.180 nan 0.000 0.499 220 T N 4.426 118.608 114.554 -0.619 0.000 2.932 220 T HA 0.576 4.926 4.350 0.000 0.000 0.318 220 T C -1.980 172.273 174.700 -0.746 0.000 1.265 220 T CA -0.621 61.200 62.100 -0.465 0.000 1.036 220 T CB 1.025 69.780 68.868 -0.188 0.000 1.209 220 T HN 0.107 nan 8.240 nan 0.000 0.484 221 V N 6.806 126.372 119.914 -0.580 0.000 2.445 221 V HA 0.329 4.449 4.120 0.000 0.000 0.283 221 V C -1.872 173.961 176.094 -0.435 0.000 1.014 221 V CA -1.561 60.356 62.300 -0.638 0.000 0.852 221 V CB 1.491 32.708 31.823 -1.011 0.000 1.021 221 V HN 0.663 nan 8.190 nan 0.000 0.435 222 P HA -0.228 nan 4.420 nan 0.000 0.216 222 P C 1.643 178.861 177.300 -0.137 0.000 1.154 222 P CA 2.103 65.123 63.100 -0.132 0.000 0.865 222 P CB 0.329 31.997 31.700 -0.053 0.000 0.789 223 A N -1.725 120.941 122.820 -0.256 0.000 2.019 223 A HA -0.158 4.162 4.320 0.000 0.000 0.219 223 A C 1.519 178.998 177.584 -0.175 0.000 1.164 223 A CA 1.395 53.308 52.037 -0.207 0.000 0.644 223 A CB -1.415 17.480 19.000 -0.175 0.000 0.805 223 A HN 0.112 nan 8.150 nan 0.000 0.449 224 F N -0.949 118.792 119.950 -0.349 0.000 2.749 224 F HA 0.347 4.874 4.527 0.000 0.000 0.300 224 F C 1.826 177.456 175.800 -0.284 0.000 1.103 224 F CA -0.422 57.337 58.000 -0.402 0.000 1.342 224 F CB -0.924 37.694 39.000 -0.636 0.000 1.098 224 F HN 0.312 nan 8.300 nan 0.000 0.586 225 G N 1.539 110.300 108.800 -0.065 0.000 2.246 225 G HA2 -0.113 3.847 3.960 0.000 0.000 0.273 225 G HA3 -0.113 3.847 3.960 0.000 0.000 0.273 225 G C -0.139 174.718 174.900 -0.072 0.000 1.055 225 G CA 0.322 45.377 45.100 -0.076 0.000 0.851 225 G HN 0.585 nan 8.290 nan 0.000 0.500 226 V N -3.431 116.453 119.914 -0.050 0.000 2.656 226 V HA 0.972 5.092 4.120 0.000 0.000 0.307 226 V C -0.333 175.768 176.094 0.012 0.000 1.051 226 V CA -1.031 61.269 62.300 0.000 0.000 0.893 226 V CB 2.183 34.066 31.823 0.100 0.000 0.999 226 V HN 0.654 nan 8.190 nan 0.000 0.426 227 K N 2.948 123.380 120.400 0.053 0.000 2.550 227 K HA 0.673 4.993 4.320 0.000 0.000 0.252 227 K C -1.707 174.960 176.600 0.112 0.000 0.943 227 K CA -0.515 55.815 56.287 0.072 0.000 0.806 227 K CB 2.364 34.887 32.500 0.038 0.000 1.289 227 K HN 0.911 nan 8.250 nan 0.000 0.435 228 Q N 3.046 122.944 119.800 0.163 0.000 2.275 228 Q HA 0.267 4.607 4.340 0.000 0.000 0.258 228 Q C -1.718 174.383 176.000 0.169 0.000 0.960 228 Q CA -0.482 55.408 55.803 0.144 0.000 0.801 228 Q CB 1.533 30.351 28.738 0.133 0.000 1.302 228 Q HN 0.608 nan 8.270 nan 0.000 0.433 229 D N 2.370 122.848 120.400 0.129 0.000 2.488 229 D HA 0.266 4.906 4.640 0.000 0.000 0.238 229 D C -0.482 175.900 176.300 0.137 0.000 1.138 229 D CA 0.594 54.676 54.000 0.136 0.000 0.873 229 D CB 0.881 41.730 40.800 0.080 0.000 1.183 229 D HN 0.573 nan 8.370 nan 0.000 0.458 230 A N 2.888 125.820 122.820 0.186 0.000 2.621 230 A HA 0.404 4.724 4.320 0.000 0.000 0.329 230 A C -0.286 177.338 177.584 0.067 0.000 1.458 230 A CA -0.672 51.457 52.037 0.153 0.000 1.052 230 A CB 0.136 19.308 19.000 0.288 0.000 1.142 230 A HN 0.315 nan 8.150 nan 0.000 0.523 231 V N 4.512 124.439 119.914 0.021 0.000 2.383 231 V HA 0.244 4.364 4.120 0.000 0.000 0.275 231 V C -2.254 173.817 176.094 -0.038 0.000 1.036 231 V CA -1.858 60.434 62.300 -0.013 0.000 0.889 231 V CB 1.184 33.002 31.823 -0.010 0.000 0.985 231 V HN 0.633 nan 8.190 nan 0.000 0.459 232 P HA 0.091 nan 4.420 nan 0.000 0.260 232 P C 1.051 178.319 177.300 -0.054 0.000 1.172 232 P CA 1.630 64.687 63.100 -0.072 0.000 0.760 232 P CB 0.354 32.007 31.700 -0.079 0.000 0.773 233 G N 2.284 111.052 108.800 -0.053 0.000 2.179 233 G HA2 -0.272 3.688 3.960 0.000 0.000 0.260 233 G HA3 -0.272 3.688 3.960 0.000 0.000 0.260 233 G C 0.235 175.115 174.900 -0.033 0.000 0.977 233 G CA -0.223 44.852 45.100 -0.040 0.000 0.641 233 G HN 0.575 nan 8.290 nan 0.000 0.533 234 R N -1.052 119.427 120.500 -0.034 0.000 2.803 234 R HA 0.750 5.090 4.340 0.000 0.000 0.276 234 R C -1.083 175.198 176.300 -0.031 0.000 0.978 234 R CA -0.934 55.150 56.100 -0.027 0.000 0.939 234 R CB 1.667 31.955 30.300 -0.019 0.000 1.179 234 R HN 0.173 nan 8.270 nan 0.000 0.472 235 L N 2.270 123.476 121.223 -0.028 0.000 2.401 235 L HA 0.554 4.894 4.340 0.000 0.000 0.263 235 L C -0.969 175.885 176.870 -0.026 0.000 1.004 235 L CA -0.084 54.735 54.840 -0.034 0.000 0.881 235 L CB 1.303 43.340 42.059 -0.038 0.000 1.219 235 L HN 0.780 nan 8.230 nan 0.000 0.441 236 A N 4.008 126.815 122.820 -0.021 0.000 2.293 236 A HA 0.767 5.087 4.320 0.000 0.000 0.302 236 A C -0.463 177.112 177.584 -0.014 0.000 1.119 236 A CA -0.446 51.586 52.037 -0.008 0.000 0.823 236 A CB 0.735 19.741 19.000 0.009 0.000 1.097 236 A HN 0.689 nan 8.150 nan 0.000 0.491 237 Q N -0.531 119.271 119.800 0.002 0.000 2.348 237 Q HA 0.641 4.981 4.340 0.000 0.000 0.271 237 Q C -1.373 174.659 176.000 0.053 0.000 1.067 237 Q CA -0.788 55.021 55.803 0.010 0.000 0.839 237 Q CB 2.254 31.000 28.738 0.013 0.000 1.354 237 Q HN 0.713 nan 8.270 nan 0.000 0.447 238 L N -1.762 119.504 121.223 0.071 0.000 2.469 238 L HA 0.746 5.086 4.340 0.000 0.000 0.256 238 L C -1.648 175.340 176.870 0.196 0.000 1.006 238 L CA -0.822 54.094 54.840 0.126 0.000 0.832 238 L CB 1.457 43.582 42.059 0.111 0.000 1.421 238 L HN 0.744 nan 8.230 nan 0.000 0.410 239 W N 1.799 123.123 121.300 0.041 0.000 2.950 239 W HA 0.817 5.477 4.660 0.000 0.000 0.340 239 W C -2.273 174.300 176.519 0.090 0.000 1.139 239 W CA -1.270 56.062 57.345 -0.021 0.000 1.188 239 W CB 1.233 30.644 29.460 -0.082 0.000 1.426 239 W HN 0.772 nan 8.180 nan 0.000 0.531 240 F N 0.728 120.646 119.950 -0.054 0.000 2.613 240 F HA 0.752 5.280 4.527 0.000 0.000 0.310 240 F C -1.173 174.587 175.800 -0.067 0.000 1.085 240 F CA -1.842 55.965 58.000 -0.322 0.000 0.945 240 F CB 1.902 40.623 39.000 -0.465 0.000 1.298 240 F HN 0.498 nan 8.300 nan 0.000 0.455 241 R N 2.567 123.095 120.500 0.046 0.000 2.371 241 R HA 0.755 5.096 4.340 0.000 0.000 0.312 241 R C -1.084 175.176 176.300 -0.067 0.000 0.980 241 R CA -0.707 55.386 56.100 -0.013 0.000 0.867 241 R CB 1.230 31.604 30.300 0.122 0.000 1.163 241 R HN 1.085 nan 8.270 nan 0.000 0.492 242 A N 3.410 126.153 122.820 -0.129 0.000 2.450 242 A HA 0.141 4.461 4.320 0.000 0.000 0.255 242 A C 0.271 177.793 177.584 -0.104 0.000 1.096 242 A CA -0.161 51.734 52.037 -0.236 0.000 0.778 242 A CB 0.435 19.238 19.000 -0.329 0.000 1.031 242 A HN 0.967 nan 8.150 nan 0.000 0.494 243 E N 0.546 120.703 120.200 -0.071 0.000 2.476 243 E HA 0.068 4.418 4.350 0.000 0.000 0.199 243 E C 0.144 176.758 176.600 0.025 0.000 1.021 243 E CA 0.185 56.574 56.400 -0.018 0.000 0.907 243 E CB 0.299 29.989 29.700 -0.017 0.000 0.974 243 E HN 0.785 nan 8.360 nan 0.000 0.489 244 R N -0.010 120.530 120.500 0.065 0.000 2.710 244 R HA 0.424 4.764 4.340 0.000 0.000 0.270 244 R C -0.950 175.478 176.300 0.214 0.000 1.021 244 R CA -0.864 55.311 56.100 0.125 0.000 0.889 244 R CB 1.135 31.519 30.300 0.139 0.000 1.243 244 R HN -0.184 nan 8.270 nan 0.000 0.464 245 E N 0.086 120.389 120.200 0.171 0.000 2.374 245 E HA 0.533 4.883 4.350 0.000 0.000 0.260 245 E C 0.127 176.840 176.600 0.189 0.000 1.101 245 E CA 0.199 56.707 56.400 0.181 0.000 0.907 245 E CB 1.294 31.049 29.700 0.092 0.000 1.014 245 E HN 0.794 nan 8.360 nan 0.000 0.427 246 G N 0.674 109.551 108.800 0.129 0.000 2.356 246 G HA2 0.157 4.117 3.960 0.000 0.000 0.288 246 G HA3 0.157 4.117 3.960 0.000 0.000 0.288 246 G C -1.531 173.118 174.900 -0.420 0.000 1.302 246 G CA -1.067 43.904 45.100 -0.214 0.000 0.887 246 G HN 0.375 nan 8.290 nan 0.000 0.521 247 I N 0.266 120.385 120.570 -0.751 0.000 2.377 247 I HA 0.637 4.808 4.170 0.000 0.000 0.293 247 I C -0.994 174.372 176.117 -1.253 0.000 0.987 247 I CA -0.592 60.268 61.300 -0.732 0.000 1.185 247 I CB 1.497 39.224 38.000 -0.456 0.000 1.341 247 I HN 0.300 nan 8.210 nan 0.000 0.455 248 F N 5.575 125.159 119.950 -0.609 0.000 2.539 248 F HA 0.548 5.075 4.527 0.000 0.000 0.318 248 F C -0.573 174.781 175.800 -0.743 0.000 1.135 248 F CA -0.587 57.023 58.000 -0.650 0.000 0.915 248 F CB 1.309 39.899 39.000 -0.683 0.000 1.176 248 F HN 0.113 nan 8.300 nan 0.000 0.440 249 F N 1.024 120.880 119.950 -0.156 0.000 2.470 249 F HA 0.848 5.375 4.527 0.000 0.000 0.329 249 F C 0.593 176.222 175.800 -0.284 0.000 1.072 249 F CA -1.179 56.701 58.000 -0.200 0.000 0.989 249 F CB 1.981 40.882 39.000 -0.165 0.000 1.193 249 F HN 0.540 nan 8.300 nan 0.000 0.481 250 G N 0.634 109.373 108.800 -0.102 0.000 2.694 250 G HA2 0.668 4.628 3.960 0.000 0.000 0.290 250 G HA3 0.668 4.628 3.960 0.000 0.000 0.290 250 G C -1.940 172.863 174.900 -0.160 0.000 1.386 250 G CA -0.748 44.207 45.100 -0.241 0.000 0.872 250 G HN 0.475 nan 8.290 nan 0.000 0.475 251 Q N -0.935 118.781 119.800 -0.140 0.000 2.423 251 Q HA 0.382 4.723 4.340 0.000 0.000 0.278 251 Q C -0.834 175.184 176.000 0.029 0.000 1.097 251 Q CA -0.754 55.018 55.803 -0.051 0.000 0.809 251 Q CB 2.939 31.621 28.738 -0.092 0.000 1.391 251 Q HN 0.657 nan 8.270 nan 0.000 0.428 252 C N 1.333 120.739 119.300 0.177 0.000 2.590 252 C HA 0.116 4.576 4.460 0.000 0.000 0.411 252 C C 0.715 175.855 174.990 0.250 0.000 1.420 252 C CA 0.394 59.628 59.018 0.359 0.000 1.643 252 C CB -0.850 27.160 27.740 0.450 0.000 2.528 252 C HN 0.759 nan 8.230 nan 0.000 0.606 253 S N 3.346 119.234 115.700 0.312 0.000 2.624 253 S HA 0.254 4.724 4.470 0.000 0.000 0.246 253 S C -0.518 174.233 174.600 0.252 0.000 1.072 253 S CA -0.069 58.281 58.200 0.249 0.000 1.045 253 S CB -0.200 63.075 63.200 0.126 0.000 0.851 253 S HN 0.859 nan 8.310 nan 0.000 0.480 254 E N 1.768 122.149 120.200 0.302 0.000 2.317 254 E HA 0.346 4.697 4.350 0.000 0.000 0.270 254 E C -0.983 175.456 176.600 -0.268 0.000 0.899 254 E CA -0.722 55.706 56.400 0.047 0.000 0.814 254 E CB 0.752 30.472 29.700 0.033 0.000 1.296 254 E HN 0.140 nan 8.360 nan 0.000 0.404 255 L N 5.301 126.150 121.223 -0.623 0.000 2.667 255 L HA 0.039 4.379 4.340 0.000 0.000 0.278 255 L C 0.356 176.947 176.870 -0.464 0.000 1.217 255 L CA 0.876 55.128 54.840 -0.979 0.000 0.935 255 L CB -0.114 41.653 42.059 -0.487 0.000 1.193 255 L HN 0.812 nan 8.230 nan 0.000 0.493 256 C N 3.022 122.135 119.300 -0.310 0.000 3.486 256 C HA 0.860 5.320 4.460 0.000 0.000 0.264 256 C C 0.710 175.853 174.990 0.255 0.000 1.756 256 C CA -0.118 58.823 59.018 -0.129 0.000 1.764 256 C CB -1.082 26.484 27.740 -0.291 0.000 3.238 256 C HN 1.510 nan 8.230 nan 0.000 0.524 257 G N 1.329 110.271 108.800 0.236 0.000 2.396 257 G HA2 -0.087 3.873 3.960 0.000 0.000 0.254 257 G HA3 -0.087 3.873 3.960 0.000 0.000 0.254 257 G C 0.255 175.236 174.900 0.135 0.000 1.248 257 G CA -0.101 45.206 45.100 0.344 0.000 1.033 257 G HN 0.674 nan 8.290 nan 0.000 0.502 258 I N 0.213 120.728 120.570 -0.093 0.000 2.248 258 I HA -0.066 4.104 4.170 0.000 0.000 0.248 258 I C 1.899 177.718 176.117 -0.496 0.000 1.107 258 I CA 2.376 63.473 61.300 -0.338 0.000 1.373 258 I CB 0.013 37.805 38.000 -0.348 0.000 1.055 258 I HN 0.337 nan 8.210 nan 0.000 0.418 259 S N -0.960 114.088 115.700 -1.087 0.000 2.588 259 S HA 0.047 4.517 4.470 0.000 0.000 0.245 259 S C 1.047 175.516 174.600 -0.218 0.000 1.021 259 S CA -0.338 57.483 58.200 -0.632 0.000 1.006 259 S CB -0.253 62.579 63.200 -0.613 0.000 0.830 259 S HN 0.535 nan 8.310 nan 0.000 0.468 260 H N 2.977 121.957 119.070 -0.150 0.000 2.325 260 H HA -0.181 4.376 4.556 0.000 0.000 0.293 260 H C 1.869 177.149 175.328 -0.081 0.000 1.106 260 H CA 2.137 58.206 56.048 0.035 0.000 1.247 260 H CB -0.263 29.505 29.762 0.009 0.000 1.359 260 H HN 0.426 nan 8.280 nan 0.000 0.488 261 A N -0.939 121.594 122.820 -0.480 0.000 2.206 261 A HA -0.002 4.318 4.320 0.000 0.000 0.211 261 A C 0.351 177.580 177.584 -0.590 0.000 1.158 261 A CA 0.574 52.195 52.037 -0.693 0.000 0.761 261 A CB -0.323 18.149 19.000 -0.879 0.000 0.801 261 A HN 0.507 nan 8.150 nan 0.000 0.473 262 Y N -0.554 119.703 120.300 -0.072 0.000 2.699 262 Y HA 0.402 4.952 4.550 0.000 0.000 0.282 262 Y C 0.288 176.232 175.900 0.074 0.000 1.058 262 Y CA -0.870 57.204 58.100 -0.043 0.000 1.194 262 Y CB -0.274 38.156 38.460 -0.051 0.000 1.193 262 Y HN 0.386 nan 8.280 nan 0.000 0.562 263 M N -0.054 119.678 119.600 0.221 0.000 2.353 263 M HA 0.559 5.039 4.480 0.000 0.000 0.218 263 M C -3.412 173.139 176.300 0.418 0.000 1.044 263 M CA -1.547 53.930 55.300 0.295 0.000 0.615 263 M CB 1.597 34.328 32.600 0.218 0.000 1.531 263 M HN -0.231 nan 8.290 nan 0.000 0.378 264 P HA 0.624 nan 4.420 nan 0.000 0.306 264 P C -0.800 176.665 177.300 0.274 0.000 1.309 264 P CA -0.352 62.886 63.100 0.230 0.000 0.759 264 P CB 1.483 33.210 31.700 0.045 0.000 1.314 265 I N -0.734 119.884 120.570 0.079 0.000 2.466 265 I HA 0.315 4.486 4.170 0.000 0.000 0.289 265 I C -0.326 175.859 176.117 0.113 0.000 1.026 265 I CA -0.162 61.136 61.300 -0.003 0.000 1.078 265 I CB 2.025 39.734 38.000 -0.485 0.000 1.249 265 I HN 0.086 nan 8.210 nan 0.000 0.429 266 T N 5.402 120.063 114.554 0.180 0.000 2.786 266 T HA 0.547 4.897 4.350 0.000 0.000 0.283 266 T C -0.414 174.311 174.700 0.043 0.000 0.992 266 T CA -0.527 61.650 62.100 0.129 0.000 0.954 266 T CB 1.554 70.577 68.868 0.259 0.000 0.934 266 T HN 0.152 nan 8.240 nan 0.000 0.440 267 V N 4.345 124.242 119.914 -0.028 0.000 2.448 267 V HA 0.432 4.552 4.120 0.000 0.000 0.295 267 V C -0.083 176.082 176.094 0.118 0.000 1.025 267 V CA -0.918 61.442 62.300 0.100 0.000 0.859 267 V CB 1.692 33.649 31.823 0.223 0.000 0.988 267 V HN 0.725 nan 8.190 nan 0.000 0.431 268 K N 3.681 124.133 120.400 0.086 0.000 2.265 268 K HA 0.632 4.952 4.320 0.000 0.000 0.267 268 K C -1.041 175.634 176.600 0.124 0.000 0.994 268 K CA -0.535 55.792 56.287 0.067 0.000 0.860 268 K CB 2.061 34.536 32.500 -0.040 0.000 1.099 268 K HN 0.456 nan 8.250 nan 0.000 0.448 269 V N 4.655 124.715 119.914 0.243 0.000 2.370 269 V HA 0.305 4.425 4.120 0.000 0.000 0.279 269 V C 0.064 176.230 176.094 0.119 0.000 1.029 269 V CA -0.697 61.721 62.300 0.197 0.000 0.870 269 V CB 1.033 33.033 31.823 0.295 0.000 0.984 269 V HN 0.581 nan 8.190 nan 0.000 0.451 270 V N 2.068 122.019 119.914 0.061 0.000 3.141 270 V HA 0.829 4.950 4.120 0.000 0.000 0.312 270 V C 0.214 176.348 176.094 0.067 0.000 1.157 270 V CA -0.720 61.617 62.300 0.062 0.000 1.041 270 V CB 1.946 33.805 31.823 0.060 0.000 1.071 270 V HN 0.843 nan 8.190 nan 0.000 0.441 271 S N -0.246 115.500 115.700 0.075 0.000 2.580 271 S HA 0.164 4.634 4.470 0.000 0.000 0.266 271 S C 0.825 175.494 174.600 0.116 0.000 1.354 271 S CA 0.645 58.891 58.200 0.076 0.000 1.008 271 S CB 0.317 63.558 63.200 0.067 0.000 0.898 271 S HN 0.877 nan 8.310 nan 0.000 0.555 272 E N 0.870 121.133 120.200 0.105 0.000 2.097 272 E HA -0.206 4.144 4.350 0.000 0.000 0.196 272 E C 2.071 178.773 176.600 0.170 0.000 1.000 272 E CA 1.740 58.230 56.400 0.151 0.000 0.804 272 E CB -0.138 29.624 29.700 0.103 0.000 0.740 272 E HN 0.778 nan 8.360 nan 0.000 0.454 273 E N 0.095 120.365 120.200 0.115 0.000 2.031 273 E HA -0.210 4.141 4.350 0.000 0.000 0.193 273 E C 2.112 178.783 176.600 0.117 0.000 0.994 273 E CA 0.946 57.404 56.400 0.097 0.000 0.800 273 E CB -0.128 29.614 29.700 0.069 0.000 0.752 273 E HN 0.227 nan 8.360 nan 0.000 0.447 274 A N 0.743 123.641 122.820 0.130 0.000 1.933 274 A HA -0.221 4.099 4.320 0.000 0.000 0.218 274 A C 2.029 179.748 177.584 0.224 0.000 1.175 274 A CA 1.442 53.566 52.037 0.145 0.000 0.628 274 A CB -0.772 18.296 19.000 0.114 0.000 0.814 274 A HN 0.398 nan 8.150 nan 0.000 0.444 275 Y N 0.788 121.154 120.300 0.111 0.000 2.070 275 Y HA -0.160 4.390 4.550 0.000 0.000 0.280 275 Y C 2.701 178.742 175.900 0.235 0.000 1.148 275 Y CA 1.381 59.578 58.100 0.163 0.000 1.125 275 Y CB -0.904 37.624 38.460 0.113 0.000 0.975 275 Y HN 0.301 nan 8.280 nan 0.000 0.492 276 A N 0.660 123.493 122.820 0.021 0.000 1.908 276 A HA -0.167 4.153 4.320 0.000 0.000 0.218 276 A C 2.491 180.055 177.584 -0.033 0.000 1.181 276 A CA 2.341 54.325 52.037 -0.088 0.000 0.627 276 A CB -1.622 17.377 19.000 -0.002 0.000 0.818 276 A HN 0.668 nan 8.150 nan 0.000 0.445 277 A N -1.451 121.401 122.820 0.053 0.000 1.892 277 A HA -0.227 4.093 4.320 0.000 0.000 0.218 277 A C 2.015 179.653 177.584 0.089 0.000 1.188 277 A CA 1.773 53.850 52.037 0.067 0.000 0.631 277 A CB -1.023 18.032 19.000 0.092 0.000 0.822 277 A HN 0.914 nan 8.150 nan 0.000 0.447 278 W N 0.664 121.937 121.300 -0.045 0.000 2.358 278 W HA -0.143 4.517 4.660 0.000 0.000 0.303 278 W C 1.792 178.306 176.519 -0.007 0.000 1.208 278 W CA 1.877 59.218 57.345 -0.008 0.000 1.274 278 W CB -0.320 29.145 29.460 0.009 0.000 1.138 278 W HN 0.267 nan 8.180 nan 0.000 0.515 279 L N 0.342 121.442 121.223 -0.204 0.000 1.989 279 L HA -0.241 4.099 4.340 0.000 0.000 0.211 279 L C 2.514 179.252 176.870 -0.220 0.000 1.071 279 L CA 2.036 56.641 54.840 -0.391 0.000 0.749 279 L CB -1.225 40.596 42.059 -0.396 0.000 0.890 279 L HN -0.019 nan 8.230 nan 0.000 0.431 280 E N 0.449 120.575 120.200 -0.124 0.000 2.110 280 E HA -0.245 4.105 4.350 0.000 0.000 0.193 280 E C 2.158 178.722 176.600 -0.060 0.000 0.988 280 E CA 1.370 57.747 56.400 -0.037 0.000 0.804 280 E CB -0.126 29.574 29.700 -0.000 0.000 0.745 280 E HN 0.387 nan 8.360 nan 0.000 0.458 281 Q N -1.095 118.634 119.800 -0.119 0.000 2.234 281 Q HA -0.184 4.157 4.340 0.000 0.000 0.206 281 Q C 1.130 176.919 176.000 -0.352 0.000 0.980 281 Q CA 1.533 57.207 55.803 -0.215 0.000 0.869 281 Q CB -0.174 28.427 28.738 -0.230 0.000 0.912 281 Q HN 0.516 nan 8.270 nan 0.000 0.436 282 H N -1.901 116.973 119.070 -0.327 0.000 2.551 282 H HA 0.119 4.675 4.556 0.000 0.000 0.271 282 H C -0.274 174.962 175.328 -0.152 0.000 0.984 282 H CA 0.011 55.875 56.048 -0.307 0.000 1.164 282 H CB 0.303 29.768 29.762 -0.493 0.000 1.437 282 H HN 0.157 nan 8.280 nan 0.000 0.550 283 H N 0.425 119.406 119.070 -0.149 0.000 2.652 283 H HA 0.243 4.800 4.556 0.000 0.000 0.298 283 H C -0.499 174.695 175.328 -0.223 0.000 1.076 283 H CA -0.354 55.628 56.048 -0.110 0.000 1.360 283 H CB 0.195 29.946 29.762 -0.018 0.000 1.421 283 H HN 0.597 nan 8.280 nan 0.000 0.464 284 H N 4.700 123.534 119.070 -0.394 0.000 2.652 284 H HA 0.268 4.824 4.556 0.000 0.000 0.298 284 H C -0.620 174.495 175.328 -0.355 0.000 1.076 284 H CA -0.591 55.238 56.048 -0.364 0.000 1.360 284 H CB -0.019 29.637 29.762 -0.177 0.000 1.421 284 H HN 0.844 nan 8.280 nan 0.000 0.464 285 H N 0.000 118.900 119.070 -0.284 0.000 2.539 285 H HA 0.000 4.556 4.556 0.000 0.000 0.296 285 H CA 0.000 55.914 56.048 -0.224 0.000 1.023 285 H CB 0.000 29.676 29.762 -0.143 0.000 1.292 285 H HN 0.000 nan 8.280 nan 0.000 0.496