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 1esn_1_C DATA FIRST_RESID 8 DATA SEQUENCE LXTPYLQFDR NQWAALRDSV PXTLSEDEIA RLKGINEDLS LEEVAEIYLP DATA SEQUENCE LSRLLNFYIS SNLRRQAVLE QFLGTNGQRI PYIISIAGSV AVGKSTTARV DATA SEQUENCE LQALLSRWPE HRRVELITTD GFLHPNQVLK ERGLXKKKGF PESYDXHRLV DATA SEQUENCE KFVSDLKSGV PNVTAPVYSH LIYDVIPDGD KTVVQPDILI LEGLNVLQSG DATA SEQUENCE XDYPHDPHHV FVSDFVDFSI YVDAPEDLLQ TWYINRFLKF REGAFTDPDS DATA SEQUENCE YFHNYAKLTK EEAIKTAXTL WKEINWLNLK QNILPTRERA SLILTKSANH DATA SEQUENCE AVEEVRLRK 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.864 176.870 -0.010 0.000 1.165 8 L CA 0.000 54.834 54.840 -0.010 0.000 0.813 8 L CB 0.000 42.053 42.059 -0.010 0.000 0.961 11 P HA 0.335 nan 4.420 nan 0.000 0.257 11 P C -0.794 176.307 177.300 -0.332 0.000 1.281 11 P CA 0.206 63.179 63.100 -0.212 0.000 0.826 11 P CB -0.395 31.121 31.700 -0.306 0.000 1.237 12 Y N -0.758 119.528 120.300 -0.024 0.000 2.485 12 Y HA 0.407 4.956 4.550 -0.001 0.000 0.345 12 Y C 0.458 176.338 175.900 -0.033 0.000 0.998 12 Y CA -1.252 56.838 58.100 -0.016 0.000 1.059 12 Y CB 1.737 40.180 38.460 -0.028 0.000 1.234 12 Y HN -0.344 nan 8.280 nan 0.000 0.461 13 L N 2.770 124.100 121.223 0.179 0.000 2.292 13 L HA 0.393 4.732 4.340 -0.001 0.000 0.284 13 L C -0.420 176.364 176.870 -0.142 0.000 1.065 13 L CA -0.490 54.342 54.840 -0.014 0.000 0.806 13 L CB 1.432 43.534 42.059 0.071 0.000 1.175 13 L HN 0.574 nan 8.230 nan 0.000 0.431 14 Q N 2.270 121.858 119.800 -0.354 0.000 2.274 14 Q HA 0.602 4.941 4.340 -0.001 0.000 0.260 14 Q C -1.703 173.922 176.000 -0.626 0.000 0.974 14 Q CA -0.295 55.317 55.803 -0.319 0.000 0.876 14 Q CB 1.626 30.268 28.738 -0.161 0.000 1.297 14 Q HN 0.389 nan 8.270 nan 0.000 0.446 15 F N 2.714 122.699 119.950 0.059 0.000 2.573 15 F HA 0.263 4.789 4.527 -0.001 0.000 0.316 15 F C -0.317 175.518 175.800 0.058 0.000 1.148 15 F CA -1.087 56.982 58.000 0.115 0.000 0.940 15 F CB 1.468 40.626 39.000 0.263 0.000 1.214 15 F HN 0.554 nan 8.300 nan 0.000 0.448 16 D N 2.006 122.552 120.400 0.242 0.000 2.348 16 D HA 0.180 4.820 4.640 -0.001 0.000 0.249 16 D C 1.318 177.733 176.300 0.192 0.000 1.110 16 D CA -0.523 53.568 54.000 0.151 0.000 0.967 16 D CB 1.178 42.042 40.800 0.108 0.000 1.139 16 D HN 0.499 nan 8.370 nan 0.000 0.466 17 R N 1.708 122.285 120.500 0.130 0.000 2.159 17 R HA -0.296 4.043 4.340 -0.001 0.000 0.249 17 R C 1.489 177.903 176.300 0.190 0.000 1.136 17 R CA 2.567 58.752 56.100 0.141 0.000 0.951 17 R CB -1.042 29.316 30.300 0.098 0.000 0.876 17 R HN 0.690 nan 8.270 nan 0.000 0.440 18 N N -0.498 118.294 118.700 0.154 0.000 2.007 18 N HA -0.248 4.491 4.740 -0.001 0.000 0.197 18 N C 1.877 177.491 175.510 0.173 0.000 1.050 18 N CA 1.674 54.808 53.050 0.139 0.000 0.856 18 N CB -0.269 38.283 38.487 0.108 0.000 1.050 18 N HN 0.371 nan 8.380 nan 0.000 0.423 19 Q N -0.281 119.654 119.800 0.224 0.000 2.173 19 Q HA -0.228 4.112 4.340 -0.001 0.000 0.208 19 Q C 1.784 177.927 176.000 0.239 0.000 0.989 19 Q CA 1.462 57.431 55.803 0.277 0.000 0.872 19 Q CB -0.092 28.921 28.738 0.459 0.000 0.909 19 Q HN 0.557 nan 8.270 nan 0.000 0.420 20 W N -0.120 121.200 121.300 0.033 0.000 2.418 20 W HA -0.054 4.605 4.660 -0.001 0.000 0.319 20 W C 1.713 178.196 176.519 -0.060 0.000 1.183 20 W CA 1.199 58.488 57.345 -0.093 0.000 1.327 20 W CB -0.228 29.195 29.460 -0.061 0.000 1.163 20 W HN 0.113 nan 8.180 nan 0.000 0.479 21 A N 0.440 123.344 122.820 0.140 0.000 2.276 21 A HA 0.151 4.470 4.320 -0.001 0.000 0.205 21 A C 1.543 179.111 177.584 -0.025 0.000 1.234 21 A CA 1.588 53.645 52.037 0.034 0.000 0.797 21 A CB -0.886 18.174 19.000 0.100 0.000 0.769 21 A HN 0.294 nan 8.150 nan 0.000 0.491 22 A N -0.545 122.240 122.820 -0.059 0.000 1.984 22 A HA 0.309 4.628 4.320 -0.001 0.000 0.203 22 A C 1.561 179.077 177.584 -0.113 0.000 1.292 22 A CA 0.553 52.560 52.037 -0.049 0.000 0.782 22 A CB -0.278 18.725 19.000 0.004 0.000 0.924 22 A HN 0.548 nan 8.150 nan 0.000 0.475 23 L N 0.485 121.574 121.223 -0.224 0.000 2.650 23 L HA 0.065 4.404 4.340 -0.001 0.000 0.235 23 L C 2.049 178.766 176.870 -0.254 0.000 1.149 23 L CA 0.864 55.546 54.840 -0.264 0.000 0.887 23 L CB -0.627 41.174 42.059 -0.430 0.000 1.021 23 L HN 0.470 nan 8.230 nan 0.000 0.441 24 R N -0.557 119.810 120.500 -0.222 0.000 2.119 24 R HA -0.033 4.306 4.340 -0.001 0.000 0.222 24 R C 1.116 177.372 176.300 -0.072 0.000 1.088 24 R CA 1.113 57.121 56.100 -0.152 0.000 0.984 24 R CB -0.637 29.591 30.300 -0.120 0.000 0.884 24 R HN 0.166 nan 8.270 nan 0.000 0.447 25 D N 1.220 121.585 120.400 -0.059 0.000 2.144 25 D HA -0.104 4.535 4.640 -0.001 0.000 0.199 25 D C 1.508 177.796 176.300 -0.021 0.000 0.984 25 D CA 1.629 55.610 54.000 -0.032 0.000 0.834 25 D CB -0.073 40.712 40.800 -0.025 0.000 0.955 25 D HN 0.183 nan 8.370 nan 0.000 0.465 26 S N -0.130 115.553 115.700 -0.027 0.000 2.420 26 S HA -0.224 4.245 4.470 -0.001 0.000 0.278 26 S C 1.031 175.647 174.600 0.026 0.000 1.111 26 S CA 1.192 59.391 58.200 -0.002 0.000 1.315 26 S CB -0.659 62.540 63.200 -0.001 0.000 1.226 26 S HN 0.134 nan 8.310 nan 0.000 0.444 27 V N 4.172 124.114 119.914 0.046 0.000 2.277 27 V HA 0.301 4.421 4.120 -0.001 0.000 0.269 27 V C -1.942 174.156 176.094 0.007 0.000 1.036 27 V CA -1.903 60.425 62.300 0.047 0.000 0.821 27 V CB 0.101 31.981 31.823 0.095 0.000 1.052 27 V HN 0.231 nan 8.190 nan 0.000 0.462 31 L N 2.187 123.389 121.223 -0.035 0.000 2.777 31 L HA 0.997 5.336 4.340 -0.001 0.000 0.241 31 L C 0.495 177.348 176.870 -0.029 0.000 1.854 31 L CA -0.973 53.847 54.840 -0.033 0.000 2.070 31 L CB 0.706 42.757 42.059 -0.013 0.000 2.441 31 L HN 1.112 nan 8.230 nan 0.000 0.587 32 S N -1.740 113.948 115.700 -0.021 0.000 2.653 32 S HA 0.116 4.586 4.470 -0.001 0.000 0.264 32 S C -1.375 173.217 174.600 -0.014 0.000 1.070 32 S CA -0.947 57.242 58.200 -0.018 0.000 0.885 32 S CB 0.838 64.023 63.200 -0.025 0.000 1.157 32 S HN 0.664 nan 8.310 nan 0.000 0.479 33 E N 0.325 120.517 120.200 -0.013 0.000 2.404 33 E HA 0.451 4.801 4.350 -0.001 0.000 0.261 33 E C -0.395 176.198 176.600 -0.012 0.000 1.074 33 E CA 0.416 56.809 56.400 -0.011 0.000 0.917 33 E CB 0.047 29.741 29.700 -0.010 0.000 0.965 33 E HN 0.690 nan 8.360 nan 0.000 0.433 34 D N 0.817 121.211 120.400 -0.010 0.000 2.839 34 D HA -0.160 4.479 4.640 -0.001 0.000 0.194 34 D C 0.048 176.343 176.300 -0.009 0.000 0.988 34 D CA 1.654 55.648 54.000 -0.010 0.000 1.009 34 D CB -0.732 40.061 40.800 -0.012 0.000 1.067 34 D HN 0.720 nan 8.370 nan 0.000 0.444 35 E N -1.333 118.862 120.200 -0.008 0.000 2.550 35 E HA 0.099 4.448 4.350 -0.001 0.000 0.206 35 E C 1.559 178.157 176.600 -0.004 0.000 0.845 35 E CA -0.244 56.153 56.400 -0.006 0.000 1.461 35 E CB 0.529 30.224 29.700 -0.008 0.000 1.452 35 E HN 0.091 nan 8.360 nan 0.000 0.780 36 I N 2.090 122.657 120.570 -0.004 0.000 2.226 36 I HA -0.170 3.999 4.170 -0.001 0.000 0.245 36 I C 2.562 178.676 176.117 -0.006 0.000 1.100 36 I CA 1.489 62.787 61.300 -0.003 0.000 1.374 36 I CB -1.531 36.467 38.000 -0.002 0.000 1.057 36 I HN 0.029 nan 8.210 nan 0.000 0.413 37 A N 0.566 123.382 122.820 -0.007 0.000 1.933 37 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 37 A C 2.512 180.090 177.584 -0.009 0.000 1.175 37 A CA 1.384 53.416 52.037 -0.008 0.000 0.628 37 A CB -0.548 18.448 19.000 -0.007 0.000 0.814 37 A HN 0.287 nan 8.150 nan 0.000 0.444 38 R N -0.659 119.837 120.500 -0.007 0.000 2.127 38 R HA -0.147 4.192 4.340 -0.001 0.000 0.228 38 R C 2.123 178.415 176.300 -0.014 0.000 1.125 38 R CA 2.033 58.129 56.100 -0.007 0.000 0.904 38 R CB -0.714 29.585 30.300 -0.002 0.000 0.831 38 R HN 0.510 nan 8.270 nan 0.000 0.431 39 L N 0.619 121.833 121.223 -0.015 0.000 1.978 39 L HA -0.282 4.058 4.340 -0.001 0.000 0.218 39 L C 2.561 179.412 176.870 -0.032 0.000 1.075 39 L CA 1.788 56.612 54.840 -0.027 0.000 0.767 39 L CB -0.507 41.540 42.059 -0.020 0.000 0.890 39 L HN 0.165 nan 8.230 nan 0.000 0.434 40 K N 0.173 120.560 120.400 -0.022 0.000 2.160 40 K HA -0.166 4.153 4.320 -0.001 0.000 0.206 40 K C 1.887 178.472 176.600 -0.026 0.000 1.047 40 K CA 1.516 57.790 56.287 -0.022 0.000 0.930 40 K CB -0.523 31.969 32.500 -0.014 0.000 0.720 40 K HN 0.357 nan 8.250 nan 0.000 0.450 41 G N 0.185 108.971 108.800 -0.023 0.000 2.430 41 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.216 41 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.216 41 G C 1.456 176.339 174.900 -0.028 0.000 1.146 41 G CA 0.703 45.790 45.100 -0.022 0.000 0.793 41 G HN 0.277 nan 8.290 nan 0.000 0.537 42 I N 0.449 120.998 120.570 -0.036 0.000 2.076 42 I HA -0.190 3.979 4.170 -0.001 0.000 0.237 42 I C 2.484 178.564 176.117 -0.061 0.000 1.059 42 I CA 1.691 62.962 61.300 -0.048 0.000 1.317 42 I CB -0.052 37.911 38.000 -0.061 0.000 1.037 42 I HN 0.274 nan 8.210 nan 0.000 0.398 43 N N -0.339 118.318 118.700 -0.073 0.000 2.474 43 N HA -0.092 4.648 4.740 -0.001 0.000 0.224 43 N C 0.938 176.407 175.510 -0.068 0.000 1.092 43 N CA 1.068 54.066 53.050 -0.087 0.000 0.844 43 N CB 0.700 39.111 38.487 -0.127 0.000 1.381 43 N HN 0.401 nan 8.380 nan 0.000 0.458 44 E N -0.357 119.811 120.200 -0.053 0.000 3.904 44 E HA -0.259 4.090 4.350 -0.001 0.000 0.316 44 E C -0.081 176.498 176.600 -0.036 0.000 0.643 44 E CA 2.157 58.534 56.400 -0.037 0.000 1.129 44 E CB -1.709 27.972 29.700 -0.031 0.000 1.635 44 E HN 0.243 nan 8.360 nan 0.000 0.424 45 D N -0.178 120.189 120.400 -0.054 0.000 2.360 45 D HA 0.170 4.809 4.640 -0.001 0.000 0.210 45 D C 0.088 176.363 176.300 -0.042 0.000 1.047 45 D CA 0.119 54.089 54.000 -0.050 0.000 0.854 45 D CB 0.281 41.030 40.800 -0.084 0.000 0.936 45 D HN 0.305 nan 8.370 nan 0.000 0.514 46 L N 1.465 122.658 121.223 -0.051 0.000 2.290 46 L HA 0.269 4.608 4.340 -0.001 0.000 0.284 46 L C 0.252 177.125 176.870 0.004 0.000 1.078 46 L CA -0.526 54.295 54.840 -0.030 0.000 0.815 46 L CB 1.003 43.018 42.059 -0.073 0.000 1.162 46 L HN -0.153 nan 8.230 nan 0.000 0.435 47 S N 4.974 120.696 115.700 0.038 0.000 2.601 47 S HA 0.303 4.773 4.470 -0.001 0.000 0.271 47 S C 1.158 175.792 174.600 0.057 0.000 1.305 47 S CA -0.579 57.648 58.200 0.045 0.000 1.022 47 S CB 0.714 63.949 63.200 0.058 0.000 0.940 47 S HN 0.741 nan 8.310 nan 0.000 0.525 48 L N 1.315 122.566 121.223 0.047 0.000 2.291 48 L HA -0.027 4.312 4.340 -0.001 0.000 0.214 48 L C 2.370 179.282 176.870 0.070 0.000 1.120 48 L CA 1.001 55.872 54.840 0.052 0.000 0.799 48 L CB -0.641 41.438 42.059 0.034 0.000 0.925 48 L HN 0.669 nan 8.230 nan 0.000 0.446 49 E N 0.241 120.482 120.200 0.069 0.000 2.072 49 E HA -0.244 4.105 4.350 -0.001 0.000 0.191 49 E C 1.983 178.645 176.600 0.103 0.000 0.985 49 E CA 1.060 57.504 56.400 0.074 0.000 0.801 49 E CB -0.085 29.653 29.700 0.064 0.000 0.750 49 E HN 0.354 nan 8.360 nan 0.000 0.452 50 E N 0.559 120.835 120.200 0.126 0.000 2.072 50 E HA -0.135 4.214 4.350 -0.001 0.000 0.191 50 E C 1.867 178.621 176.600 0.256 0.000 0.985 50 E CA 0.928 57.435 56.400 0.178 0.000 0.801 50 E CB -0.114 29.710 29.700 0.206 0.000 0.750 50 E HN 0.077 nan 8.360 nan 0.000 0.452 51 V N 0.924 120.986 119.914 0.246 0.000 2.255 51 V HA -0.302 3.818 4.120 -0.001 0.000 0.247 51 V C 2.404 178.635 176.094 0.227 0.000 1.051 51 V CA 2.087 64.561 62.300 0.290 0.000 1.018 51 V CB -0.995 30.918 31.823 0.150 0.000 0.641 51 V HN 0.504 nan 8.190 nan 0.000 0.445 52 A N -1.084 121.822 122.820 0.142 0.000 1.969 52 A HA -0.209 4.111 4.320 -0.001 0.000 0.218 52 A C 2.170 179.809 177.584 0.092 0.000 1.169 52 A CA 1.823 53.921 52.037 0.101 0.000 0.635 52 A CB -0.383 18.657 19.000 0.066 0.000 0.810 52 A HN 0.626 nan 8.150 nan 0.000 0.445 53 E N -1.223 119.041 120.200 0.106 0.000 2.250 53 E HA 0.011 4.360 4.350 -0.001 0.000 0.192 53 E C 1.278 177.965 176.600 0.146 0.000 0.986 53 E CA 0.467 56.926 56.400 0.099 0.000 0.849 53 E CB 0.135 29.895 29.700 0.101 0.000 0.797 53 E HN 0.529 nan 8.360 nan 0.000 0.482 54 I N -1.035 119.614 120.570 0.132 0.000 3.523 54 I HA -0.050 4.119 4.170 -0.001 0.000 0.244 54 I C 1.678 177.807 176.117 0.020 0.000 1.110 54 I CA 0.760 62.100 61.300 0.068 0.000 1.517 54 I CB -1.349 36.476 38.000 -0.291 0.000 1.505 54 I HN 0.077 nan 8.210 nan 0.000 0.460 55 Y N 1.166 121.591 120.300 0.208 0.000 2.293 55 Y HA -0.076 4.473 4.550 -0.001 0.000 0.291 55 Y C 2.607 178.611 175.900 0.174 0.000 1.137 55 Y CA 0.964 59.174 58.100 0.183 0.000 1.202 55 Y CB -0.589 37.945 38.460 0.124 0.000 0.990 55 Y HN 0.035 nan 8.280 nan 0.000 0.537 56 L N -0.030 121.352 121.223 0.265 0.000 1.994 56 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 56 L C -0.489 176.485 176.870 0.173 0.000 1.071 56 L CA 1.451 56.410 54.840 0.198 0.000 0.745 56 L CB -1.300 40.836 42.059 0.129 0.000 0.892 56 L HN 0.165 nan 8.230 nan 0.000 0.431 57 P HA -0.186 nan 4.420 nan 0.000 0.218 57 P C 1.874 179.230 177.300 0.094 0.000 1.149 57 P CA 1.233 64.322 63.100 -0.019 0.000 0.817 57 P CB 0.058 31.571 31.700 -0.311 0.000 0.785 58 L N 0.146 121.534 121.223 0.275 0.000 1.970 58 L HA -0.189 4.150 4.340 -0.001 0.000 0.212 58 L C 2.340 179.334 176.870 0.206 0.000 1.071 58 L CA 2.651 57.705 54.840 0.358 0.000 0.751 58 L CB -0.882 41.369 42.059 0.320 0.000 0.889 58 L HN 0.111 nan 8.230 nan 0.000 0.432 59 S N -0.432 115.382 115.700 0.190 0.000 2.383 59 S HA -0.304 4.165 4.470 -0.001 0.000 0.229 59 S C 1.956 176.540 174.600 -0.027 0.000 1.030 59 S CA 1.452 59.714 58.200 0.103 0.000 1.002 59 S CB -0.585 62.753 63.200 0.231 0.000 0.829 59 S HN 0.452 nan 8.310 nan 0.000 0.467 60 R N 1.054 121.629 120.500 0.126 0.000 2.096 60 R HA 0.010 4.350 4.340 -0.001 0.000 0.235 60 R C 2.299 178.614 176.300 0.025 0.000 1.127 60 R CA 1.285 57.430 56.100 0.075 0.000 0.968 60 R CB -0.668 29.758 30.300 0.210 0.000 0.861 60 R HN 0.476 nan 8.270 nan 0.000 0.440 61 L N 0.595 121.924 121.223 0.177 0.000 1.976 61 L HA -0.119 4.220 4.340 -0.001 0.000 0.209 61 L C 1.994 179.005 176.870 0.235 0.000 1.071 61 L CA 1.800 56.834 54.840 0.324 0.000 0.746 61 L CB -0.550 41.694 42.059 0.307 0.000 0.890 61 L HN 0.293 nan 8.230 nan 0.000 0.432 62 L N 0.122 121.334 121.223 -0.019 0.000 2.043 62 L HA -0.288 4.051 4.340 -0.001 0.000 0.212 62 L C 2.447 179.133 176.870 -0.308 0.000 1.075 62 L CA 1.934 56.622 54.840 -0.253 0.000 0.752 62 L CB -0.983 40.867 42.059 -0.348 0.000 0.891 62 L HN 0.565 nan 8.230 nan 0.000 0.432 63 N N 0.052 118.460 118.700 -0.485 0.000 2.149 63 N HA -0.235 4.504 4.740 -0.001 0.000 0.188 63 N C 1.779 177.010 175.510 -0.465 0.000 1.019 63 N CA 1.489 54.103 53.050 -0.725 0.000 0.857 63 N CB -0.271 37.316 38.487 -1.500 0.000 0.997 63 N HN 0.201 nan 8.380 nan 0.000 0.426 64 F N -0.686 119.113 119.950 -0.252 0.000 2.095 64 F HA -0.159 4.368 4.527 -0.001 0.000 0.298 64 F C 1.797 177.489 175.800 -0.180 0.000 1.104 64 F CA 1.255 59.140 58.000 -0.191 0.000 1.232 64 F CB -0.522 38.365 39.000 -0.189 0.000 0.987 64 F HN 0.091 nan 8.300 nan 0.000 0.475 65 Y N 0.085 120.395 120.300 0.017 0.000 2.114 65 Y HA -0.247 4.303 4.550 -0.001 0.000 0.284 65 Y C 2.352 178.183 175.900 -0.115 0.000 1.143 65 Y CA 1.640 59.738 58.100 -0.004 0.000 1.135 65 Y CB -0.590 37.854 38.460 -0.027 0.000 0.980 65 Y HN -0.035 nan 8.280 nan 0.000 0.499 66 I N -1.292 119.131 120.570 -0.245 0.000 2.142 66 I HA -0.363 3.807 4.170 -0.001 0.000 0.240 66 I C 2.709 178.727 176.117 -0.164 0.000 1.078 66 I CA 1.718 62.722 61.300 -0.494 0.000 1.343 66 I CB -0.655 36.906 38.000 -0.732 0.000 1.046 66 I HN 0.120 nan 8.210 nan 0.000 0.405 67 S N -0.180 115.439 115.700 -0.135 0.000 2.370 67 S HA -0.252 4.217 4.470 -0.001 0.000 0.226 67 S C 2.283 176.883 174.600 -0.000 0.000 1.033 67 S CA 2.054 60.217 58.200 -0.061 0.000 1.011 67 S CB -0.394 62.744 63.200 -0.103 0.000 0.852 67 S HN 0.455 nan 8.310 nan 0.000 0.457 68 S N 0.921 116.632 115.700 0.018 0.000 2.383 68 S HA -0.120 4.350 4.470 -0.001 0.000 0.229 68 S C 1.882 176.524 174.600 0.070 0.000 1.030 68 S CA 1.617 59.844 58.200 0.045 0.000 1.002 68 S CB -0.844 62.380 63.200 0.039 0.000 0.829 68 S HN 0.716 nan 8.310 nan 0.000 0.467 69 N N 0.225 118.985 118.700 0.099 0.000 2.039 69 N HA -0.066 4.673 4.740 -0.001 0.000 0.193 69 N C 1.806 177.376 175.510 0.101 0.000 1.044 69 N CA 1.649 54.782 53.050 0.139 0.000 0.847 69 N CB -0.236 38.391 38.487 0.233 0.000 1.030 69 N HN 0.364 nan 8.380 nan 0.000 0.422 70 L N 0.935 122.205 121.223 0.078 0.000 2.081 70 L HA -0.198 4.141 4.340 -0.001 0.000 0.212 70 L C 2.625 179.529 176.870 0.057 0.000 1.080 70 L CA 1.144 56.024 54.840 0.067 0.000 0.754 70 L CB -0.469 41.622 42.059 0.054 0.000 0.893 70 L HN 0.209 nan 8.230 nan 0.000 0.433 71 R N 0.258 120.788 120.500 0.049 0.000 2.091 71 R HA -0.202 4.137 4.340 -0.001 0.000 0.238 71 R C 2.541 178.869 176.300 0.047 0.000 1.136 71 R CA 1.586 57.712 56.100 0.043 0.000 0.959 71 R CB -0.172 30.150 30.300 0.037 0.000 0.856 71 R HN 0.218 nan 8.270 nan 0.000 0.437 72 R N 0.131 120.665 120.500 0.056 0.000 2.073 72 R HA -0.174 4.165 4.340 -0.001 0.000 0.234 72 R C 2.361 178.699 176.300 0.064 0.000 1.134 72 R CA 1.959 58.094 56.100 0.058 0.000 0.952 72 R CB -0.172 30.168 30.300 0.068 0.000 0.850 72 R HN 0.350 nan 8.270 nan 0.000 0.433 73 Q N -0.279 119.563 119.800 0.070 0.000 2.062 73 Q HA -0.259 4.081 4.340 -0.001 0.000 0.209 73 Q C 1.980 178.019 176.000 0.064 0.000 0.996 73 Q CA 2.478 58.323 55.803 0.069 0.000 0.859 73 Q CB -0.224 28.555 28.738 0.069 0.000 0.920 73 Q HN 0.464 nan 8.270 nan 0.000 0.415 74 A N -0.337 122.518 122.820 0.057 0.000 1.849 74 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 74 A C 2.237 179.858 177.584 0.062 0.000 1.202 74 A CA 1.982 54.051 52.037 0.053 0.000 0.629 74 A CB -1.182 17.845 19.000 0.044 0.000 0.834 74 A HN 0.308 nan 8.150 nan 0.000 0.447 75 V N 0.171 120.121 119.914 0.059 0.000 2.278 75 V HA -0.326 3.793 4.120 -0.001 0.000 0.251 75 V C 2.595 178.753 176.094 0.107 0.000 1.062 75 V CA 2.248 64.587 62.300 0.064 0.000 1.038 75 V CB -0.917 30.930 31.823 0.039 0.000 0.646 75 V HN 0.556 nan 8.190 nan 0.000 0.447 76 L N -0.571 120.718 121.223 0.111 0.000 2.027 76 L HA -0.182 4.158 4.340 -0.001 0.000 0.206 76 L C 2.631 179.591 176.870 0.150 0.000 1.074 76 L CA 1.878 56.818 54.840 0.167 0.000 0.745 76 L CB -0.632 41.506 42.059 0.130 0.000 0.898 76 L HN 0.391 nan 8.230 nan 0.000 0.433 77 E N -0.062 120.195 120.200 0.096 0.000 2.147 77 E HA -0.347 4.002 4.350 -0.001 0.000 0.199 77 E C 2.109 178.747 176.600 0.063 0.000 1.005 77 E CA 1.881 58.321 56.400 0.065 0.000 0.810 77 E CB 0.088 29.820 29.700 0.053 0.000 0.736 77 E HN 0.370 nan 8.360 nan 0.000 0.460 78 Q N -0.435 119.418 119.800 0.088 0.000 1.965 78 Q HA -0.178 4.162 4.340 -0.001 0.000 0.200 78 Q C 1.902 177.970 176.000 0.114 0.000 0.981 78 Q CA 1.763 57.618 55.803 0.088 0.000 0.834 78 Q CB -0.502 28.294 28.738 0.097 0.000 0.900 78 Q HN 0.358 nan 8.270 nan 0.000 0.426 79 F N 0.689 120.646 119.950 0.012 0.000 2.141 79 F HA -0.234 4.292 4.527 -0.001 0.000 0.300 79 F C 1.134 176.939 175.800 0.010 0.000 1.079 79 F CA 1.863 59.870 58.000 0.011 0.000 1.264 79 F CB -0.054 38.953 39.000 0.012 0.000 1.011 79 F HN 0.253 nan 8.300 nan 0.000 0.487 80 L N -2.888 118.211 121.223 -0.206 0.000 2.858 80 L HA 0.563 4.903 4.340 -0.001 0.000 0.251 80 L C 1.754 178.550 176.870 -0.123 0.000 1.149 80 L CA 0.397 55.078 54.840 -0.265 0.000 0.955 80 L CB -0.116 41.831 42.059 -0.185 0.000 1.289 80 L HN 0.194 nan 8.230 nan 0.000 0.542 81 G N 0.667 109.431 108.800 -0.061 0.000 4.148 81 G HA2 -0.511 3.448 3.960 -0.001 0.000 0.221 81 G HA3 -0.511 3.448 3.960 -0.001 0.000 0.221 81 G C 0.988 175.879 174.900 -0.016 0.000 1.373 81 G CA 1.767 46.848 45.100 -0.032 0.000 0.940 81 G HN 0.523 nan 8.290 nan 0.000 0.610 82 T N 0.339 114.878 114.554 -0.024 0.000 8.228 82 T HA -0.522 3.827 4.350 -0.001 0.000 0.287 82 T C 1.099 175.799 174.700 -0.000 0.000 1.560 82 T CA 3.708 65.802 62.100 -0.011 0.000 1.794 82 T CB -1.470 67.397 68.868 -0.001 0.000 2.097 82 T HN 2.667 nan 8.240 nan 0.000 0.780 83 N N 1.224 119.929 118.700 0.009 0.000 6.033 83 N HA -0.037 4.702 4.740 -0.001 0.000 0.390 83 N C 0.602 176.119 175.510 0.012 0.000 0.990 83 N CA 3.011 56.069 53.050 0.013 0.000 2.241 83 N CB -1.315 37.178 38.487 0.010 0.000 0.663 83 N HN 2.249 nan 8.380 nan 0.000 0.622 84 G N 0.211 109.020 108.800 0.015 0.000 2.539 84 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.256 84 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.256 84 G C -0.857 174.052 174.900 0.015 0.000 1.233 84 G CA 1.074 46.182 45.100 0.014 0.000 0.936 84 G HN 1.293 nan 8.290 nan 0.000 0.571 85 Q N -0.636 119.171 119.800 0.012 0.000 2.947 85 Q HA -0.193 4.146 4.340 -0.001 0.000 0.078 85 Q C 0.586 176.595 176.000 0.015 0.000 1.554 85 Q CA 1.341 57.151 55.803 0.010 0.000 0.407 85 Q CB -0.078 28.665 28.738 0.007 0.000 0.618 85 Q HN 0.728 nan 8.270 nan 0.000 0.320 86 R N 4.258 124.767 120.500 0.015 0.000 2.220 86 R HA 0.265 4.605 4.340 -0.001 0.000 0.340 86 R C -0.469 175.840 176.300 0.015 0.000 1.076 86 R CA -0.465 55.648 56.100 0.021 0.000 0.920 86 R CB 0.483 30.797 30.300 0.024 0.000 1.062 86 R HN 0.375 nan 8.270 nan 0.000 0.469 87 I N 7.435 128.018 120.570 0.021 0.000 2.336 87 I HA 0.341 4.510 4.170 -0.001 0.000 0.292 87 I C -1.834 174.300 176.117 0.029 0.000 0.991 87 I CA -2.806 58.501 61.300 0.012 0.000 1.227 87 I CB 1.305 39.315 38.000 0.017 0.000 1.366 87 I HN 0.547 nan 8.210 nan 0.000 0.466 88 P HA 0.140 nan 4.420 nan 0.000 0.276 88 P C -1.151 176.184 177.300 0.058 0.000 1.244 88 P CA -0.332 62.793 63.100 0.042 0.000 0.801 88 P CB 0.866 32.573 31.700 0.011 0.000 1.006 89 Y N 2.125 122.414 120.300 -0.018 0.000 2.404 89 Y HA 0.376 4.925 4.550 -0.001 0.000 0.344 89 Y C 0.041 175.935 175.900 -0.011 0.000 0.995 89 Y CA -0.187 57.904 58.100 -0.015 0.000 1.201 89 Y CB 0.031 38.458 38.460 -0.055 0.000 1.151 89 Y HN 0.143 nan 8.280 nan 0.000 0.517 90 I N 7.759 128.192 120.570 -0.228 0.000 2.392 90 I HA 0.378 4.547 4.170 -0.001 0.000 0.295 90 I C -0.609 175.463 176.117 -0.076 0.000 0.985 90 I CA -0.624 60.627 61.300 -0.081 0.000 1.221 90 I CB 1.457 39.418 38.000 -0.065 0.000 1.366 90 I HN 0.468 nan 8.210 nan 0.000 0.467 91 I N 4.817 125.437 120.570 0.083 0.000 2.465 91 I HA 0.332 4.502 4.170 -0.001 0.000 0.291 91 I C -0.183 176.009 176.117 0.124 0.000 1.014 91 I CA -0.341 61.056 61.300 0.161 0.000 1.093 91 I CB 2.156 40.289 38.000 0.223 0.000 1.267 91 I HN 0.617 nan 8.210 nan 0.000 0.431 92 S N 6.484 122.256 115.700 0.120 0.000 2.532 92 S HA 0.793 5.262 4.470 -0.001 0.000 0.301 92 S C -0.746 173.913 174.600 0.097 0.000 1.083 92 S CA -0.744 57.509 58.200 0.089 0.000 1.025 92 S CB 2.053 65.287 63.200 0.057 0.000 1.056 92 S HN 0.476 nan 8.310 nan 0.000 0.494 93 I N 1.800 122.414 120.570 0.073 0.000 2.447 93 I HA 0.652 4.821 4.170 -0.001 0.000 0.287 93 I C 0.085 176.210 176.117 0.013 0.000 1.023 93 I CA -0.652 60.682 61.300 0.057 0.000 1.083 93 I CB 1.725 39.762 38.000 0.061 0.000 1.245 93 I HN 0.946 nan 8.210 nan 0.000 0.434 94 A N 4.380 127.183 122.820 -0.029 0.000 2.344 94 A HA 1.056 5.375 4.320 -0.001 0.000 0.307 94 A C -0.130 177.257 177.584 -0.328 0.000 1.151 94 A CA -0.328 51.650 52.037 -0.098 0.000 0.842 94 A CB 1.791 20.793 19.000 0.002 0.000 1.350 94 A HN 0.933 nan 8.150 nan 0.000 0.459 95 G N -1.290 107.294 108.800 -0.361 0.000 2.356 95 G HA2 0.526 4.486 3.960 -0.001 0.000 0.300 95 G HA3 0.526 4.486 3.960 -0.001 0.000 0.300 95 G C -0.241 174.582 174.900 -0.127 0.000 1.331 95 G CA 0.250 45.067 45.100 -0.472 0.000 0.905 95 G HN 1.699 nan 8.290 nan 0.000 0.587 96 S N -1.698 113.998 115.700 -0.007 0.000 2.661 96 S HA 0.628 5.097 4.470 -0.001 0.000 0.265 96 S C 0.933 175.646 174.600 0.188 0.000 1.225 96 S CA 0.099 58.383 58.200 0.140 0.000 0.986 96 S CB 1.009 64.362 63.200 0.254 0.000 1.008 96 S HN 1.402 nan 8.310 nan 0.000 0.565 97 V N 2.103 122.189 119.914 0.287 0.000 2.901 97 V HA 0.326 4.445 4.120 -0.001 0.000 0.307 97 V C 1.430 177.679 176.094 0.260 0.000 1.084 97 V CA 0.863 63.336 62.300 0.288 0.000 1.184 97 V CB -0.106 31.988 31.823 0.452 0.000 0.941 97 V HN 1.630 nan 8.190 nan 0.000 0.493 98 A N 3.237 126.143 122.820 0.143 0.000 2.774 98 A HA -0.174 4.145 4.320 -0.001 0.000 0.290 98 A C 1.347 178.996 177.584 0.109 0.000 1.484 98 A CA 1.117 53.205 52.037 0.084 0.000 0.863 98 A CB -1.712 17.358 19.000 0.117 0.000 0.989 98 A HN 1.373 nan 8.150 nan 0.000 0.554 99 V N -1.151 118.845 119.914 0.137 0.000 3.129 99 V HA 0.418 4.537 4.120 -0.001 0.000 0.259 99 V C 1.704 177.798 176.094 0.000 0.000 1.116 99 V CA 2.258 64.648 62.300 0.151 0.000 1.127 99 V CB 0.061 31.997 31.823 0.189 0.000 0.742 99 V HN 2.439 nan 8.190 nan 0.000 0.474 100 G N 0.083 108.851 108.800 -0.053 0.000 2.151 100 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.156 100 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.156 100 G C 0.565 175.434 174.900 -0.052 0.000 1.017 100 G CA 0.340 45.378 45.100 -0.103 0.000 0.686 100 G HN 0.456 nan 8.290 nan 0.000 0.503 101 K N 0.573 120.954 120.400 -0.031 0.000 1.985 101 K HA -0.058 4.261 4.320 -0.001 0.000 0.210 101 K C 2.609 179.199 176.600 -0.017 0.000 1.047 101 K CA 1.731 58.010 56.287 -0.014 0.000 0.932 101 K CB -0.372 32.126 32.500 -0.004 0.000 0.716 101 K HN 0.297 nan 8.250 nan 0.000 0.439 102 S N 1.065 116.746 115.700 -0.031 0.000 2.359 102 S HA -0.179 4.290 4.470 -0.001 0.000 0.222 102 S C 2.198 176.762 174.600 -0.059 0.000 1.038 102 S CA 2.066 60.245 58.200 -0.034 0.000 1.051 102 S CB -0.707 62.460 63.200 -0.055 0.000 0.944 102 S HN 0.351 nan 8.310 nan 0.000 0.433 103 T N 2.379 116.871 114.554 -0.102 0.000 2.624 103 T HA -0.178 4.172 4.350 -0.001 0.000 0.268 103 T C 2.083 176.690 174.700 -0.155 0.000 1.041 103 T CA 2.075 64.089 62.100 -0.143 0.000 1.159 103 T CB -1.125 67.624 68.868 -0.197 0.000 0.863 103 T HN 0.517 nan 8.240 nan 0.000 0.434 104 T N 2.032 116.512 114.554 -0.122 0.000 2.684 104 T HA -0.089 4.260 4.350 -0.001 0.000 0.267 104 T C 2.366 177.048 174.700 -0.031 0.000 1.036 104 T CA 1.304 63.351 62.100 -0.089 0.000 1.148 104 T CB -0.725 68.177 68.868 0.057 0.000 0.863 104 T HN 0.478 nan 8.240 nan 0.000 0.436 105 A N 1.723 124.542 122.820 -0.002 0.000 1.851 105 A HA -0.170 4.149 4.320 -0.001 0.000 0.216 105 A C 2.353 179.943 177.584 0.011 0.000 1.195 105 A CA 2.092 54.144 52.037 0.026 0.000 0.622 105 A CB -0.763 18.257 19.000 0.034 0.000 0.831 105 A HN 0.360 nan 8.150 nan 0.000 0.444 106 R N -0.881 119.610 120.500 -0.014 0.000 2.113 106 R HA -0.140 4.199 4.340 -0.001 0.000 0.244 106 R C 2.041 178.326 176.300 -0.026 0.000 1.142 106 R CA 1.833 57.923 56.100 -0.017 0.000 0.953 106 R CB -0.651 29.627 30.300 -0.037 0.000 0.860 106 R HN 0.368 nan 8.270 nan 0.000 0.438 107 V N 0.634 120.504 119.914 -0.072 0.000 2.295 107 V HA -0.239 3.880 4.120 -0.001 0.000 0.246 107 V C 2.188 178.280 176.094 -0.003 0.000 1.049 107 V CA 1.773 64.020 62.300 -0.089 0.000 1.024 107 V CB -0.385 31.278 31.823 -0.267 0.000 0.648 107 V HN 0.334 nan 8.190 nan 0.000 0.447 108 L N -0.347 120.893 121.223 0.028 0.000 2.141 108 L HA -0.211 4.128 4.340 -0.001 0.000 0.209 108 L C 2.614 179.531 176.870 0.079 0.000 1.094 108 L CA 1.644 56.535 54.840 0.086 0.000 0.763 108 L CB -0.573 41.545 42.059 0.099 0.000 0.908 108 L HN 0.453 nan 8.230 nan 0.000 0.437 109 Q N 0.367 120.202 119.800 0.058 0.000 2.061 109 Q HA -0.251 4.088 4.340 -0.001 0.000 0.204 109 Q C 2.282 178.328 176.000 0.077 0.000 0.984 109 Q CA 2.046 57.888 55.803 0.064 0.000 0.846 109 Q CB -0.060 28.709 28.738 0.051 0.000 0.902 109 Q HN 0.495 nan 8.270 nan 0.000 0.421 110 A N 1.030 123.887 122.820 0.060 0.000 1.841 110 A HA -0.200 4.120 4.320 -0.001 0.000 0.216 110 A C 2.113 179.754 177.584 0.096 0.000 1.199 110 A CA 1.714 53.788 52.037 0.062 0.000 0.621 110 A CB -1.049 17.971 19.000 0.034 0.000 0.835 110 A HN 0.471 nan 8.150 nan 0.000 0.445 111 L N -1.101 120.192 121.223 0.118 0.000 2.042 111 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 111 L C 2.463 179.512 176.870 0.298 0.000 1.076 111 L CA 0.698 55.646 54.840 0.180 0.000 0.749 111 L CB -0.658 41.527 42.059 0.211 0.000 0.893 111 L HN 0.276 nan 8.230 nan 0.000 0.432 112 L N 0.185 121.567 121.223 0.265 0.000 2.131 112 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 112 L C 2.807 179.932 176.870 0.425 0.000 1.092 112 L CA 1.988 57.023 54.840 0.324 0.000 0.759 112 L CB -1.012 41.118 42.059 0.117 0.000 0.903 112 L HN 0.373 nan 8.230 nan 0.000 0.435 113 S N -0.398 115.464 115.700 0.270 0.000 2.515 113 S HA -0.150 4.320 4.470 -0.001 0.000 0.231 113 S C 1.722 176.429 174.600 0.178 0.000 0.987 113 S CA 0.333 58.669 58.200 0.226 0.000 0.936 113 S CB -0.583 62.697 63.200 0.134 0.000 0.766 113 S HN 0.616 nan 8.310 nan 0.000 0.528 114 R N -0.009 120.596 120.500 0.175 0.000 2.328 114 R HA 0.098 4.437 4.340 -0.001 0.000 0.200 114 R C -0.333 175.909 176.300 -0.098 0.000 0.983 114 R CA -0.151 55.952 56.100 0.005 0.000 1.062 114 R CB -0.115 30.127 30.300 -0.096 0.000 0.956 114 R HN 0.447 nan 8.270 nan 0.000 0.479 115 W N 1.411 122.618 121.300 -0.154 0.000 2.469 115 W HA 0.293 4.953 4.660 -0.001 0.000 0.320 115 W C -2.111 174.213 176.519 -0.325 0.000 1.086 115 W CA -2.685 54.483 57.345 -0.295 0.000 1.211 115 W CB 1.847 30.994 29.460 -0.521 0.000 1.298 115 W HN -0.096 nan 8.180 nan 0.000 0.525 116 P HA -0.161 nan 4.420 nan 0.000 0.222 116 P C 0.952 178.212 177.300 -0.067 0.000 1.147 116 P CA 1.654 64.726 63.100 -0.048 0.000 0.790 116 P CB 0.450 32.127 31.700 -0.039 0.000 0.780 117 E N -1.328 118.787 120.200 -0.142 0.000 2.077 117 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 117 E C 1.589 178.160 176.600 -0.049 0.000 0.989 117 E CA 1.462 57.790 56.400 -0.119 0.000 0.800 117 E CB -0.446 29.162 29.700 -0.154 0.000 0.746 117 E HN 0.575 nan 8.360 nan 0.000 0.452 118 H N -1.864 117.239 119.070 0.055 0.000 2.320 118 H HA 0.391 4.946 4.556 -0.001 0.000 0.318 118 H C 0.624 175.985 175.328 0.055 0.000 1.098 118 H CA -0.162 55.910 56.048 0.040 0.000 1.569 118 H CB 0.337 30.112 29.762 0.022 0.000 1.506 118 H HN -0.175 nan 8.280 nan 0.000 0.632 119 R N -0.251 120.356 120.500 0.178 0.000 3.922 119 R HA -0.110 4.229 4.340 -0.001 0.000 0.447 119 R C -0.490 175.890 176.300 0.133 0.000 1.035 119 R CA 0.757 56.931 56.100 0.124 0.000 1.289 119 R CB -1.166 29.174 30.300 0.066 0.000 1.906 119 R HN 0.358 nan 8.270 nan 0.000 0.540 120 R N 0.430 121.025 120.500 0.158 0.000 2.533 120 R HA 0.517 4.857 4.340 -0.001 0.000 0.288 120 R C -1.213 175.147 176.300 0.100 0.000 1.039 120 R CA -0.555 55.610 56.100 0.109 0.000 0.909 120 R CB 2.606 32.959 30.300 0.089 0.000 1.195 120 R HN -0.082 nan 8.270 nan 0.000 0.438 121 V N 2.452 122.417 119.914 0.085 0.000 2.577 121 V HA 0.178 4.298 4.120 -0.001 0.000 0.294 121 V C -0.482 175.655 176.094 0.073 0.000 1.052 121 V CA -0.865 61.478 62.300 0.072 0.000 0.891 121 V CB 2.073 33.939 31.823 0.072 0.000 1.017 121 V HN 0.592 nan 8.190 nan 0.000 0.436 122 E N 3.151 123.397 120.200 0.077 0.000 2.318 122 E HA 0.719 5.068 4.350 -0.001 0.000 0.265 122 E C -1.137 175.521 176.600 0.097 0.000 1.069 122 E CA -0.410 56.043 56.400 0.089 0.000 0.893 122 E CB 1.744 31.506 29.700 0.103 0.000 1.076 122 E HN 0.640 nan 8.360 nan 0.000 0.414 123 L N 3.979 125.263 121.223 0.102 0.000 2.476 123 L HA 0.470 4.809 4.340 -0.001 0.000 0.269 123 L C -1.551 175.390 176.870 0.120 0.000 0.965 123 L CA -0.482 54.420 54.840 0.103 0.000 0.845 123 L CB 0.946 43.052 42.059 0.078 0.000 1.259 123 L HN 0.437 nan 8.230 nan 0.000 0.403 124 I N 3.365 124.023 120.570 0.147 0.000 2.436 124 I HA 0.279 4.448 4.170 -0.001 0.000 0.289 124 I C 0.140 176.342 176.117 0.141 0.000 1.010 124 I CA -0.289 61.105 61.300 0.156 0.000 1.098 124 I CB 2.022 40.159 38.000 0.229 0.000 1.266 124 I HN 0.500 nan 8.210 nan 0.000 0.434 125 T N 3.551 118.187 114.554 0.137 0.000 2.806 125 T HA 0.154 4.504 4.350 -0.001 0.000 0.290 125 T C 1.184 175.992 174.700 0.181 0.000 0.966 125 T CA -0.045 62.137 62.100 0.137 0.000 1.060 125 T CB 0.716 69.668 68.868 0.139 0.000 0.927 125 T HN 0.699 nan 8.240 nan 0.000 0.485 126 T N 3.833 118.478 114.554 0.152 0.000 2.977 126 T HA -0.079 4.271 4.350 -0.001 0.000 0.271 126 T C 1.239 176.113 174.700 0.291 0.000 1.105 126 T CA 1.145 63.359 62.100 0.190 0.000 1.116 126 T CB -0.280 68.658 68.868 0.117 0.000 0.878 126 T HN 0.640 nan 8.240 nan 0.000 0.509 127 D N 0.903 121.382 120.400 0.131 0.000 2.178 127 D HA -0.040 4.599 4.640 -0.001 0.000 0.201 127 D C 2.257 178.490 176.300 -0.112 0.000 0.980 127 D CA 1.030 54.946 54.000 -0.140 0.000 0.842 127 D CB -0.739 39.814 40.800 -0.412 0.000 0.948 127 D HN 0.484 nan 8.370 nan 0.000 0.472 128 G N -0.424 108.431 108.800 0.092 0.000 2.501 128 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.220 128 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.220 128 G C 0.868 175.677 174.900 -0.151 0.000 1.114 128 G CA 0.129 45.234 45.100 0.008 0.000 0.757 128 G HN 0.220 nan 8.290 nan 0.000 0.559 129 F N 0.423 120.334 119.950 -0.065 0.000 2.732 129 F HA 0.420 4.946 4.527 -0.001 0.000 0.303 129 F C 1.179 176.906 175.800 -0.121 0.000 1.110 129 F CA -0.656 57.307 58.000 -0.063 0.000 1.355 129 F CB 0.042 39.051 39.000 0.016 0.000 1.081 129 F HN -0.084 nan 8.300 nan 0.000 0.565 130 L N 0.115 121.288 121.223 -0.083 0.000 2.452 130 L HA 0.112 4.451 4.340 -0.001 0.000 0.267 130 L C 0.788 177.583 176.870 -0.126 0.000 1.188 130 L CA -0.393 54.309 54.840 -0.229 0.000 0.821 130 L CB 0.329 42.193 42.059 -0.326 0.000 1.102 130 L HN 0.083 nan 8.230 nan 0.000 0.470 131 H N 2.346 121.399 119.070 -0.029 0.000 2.764 131 H HA 0.117 4.673 4.556 -0.001 0.000 0.341 131 H C -1.992 173.337 175.328 0.001 0.000 1.072 131 H CA -1.366 54.685 56.048 0.005 0.000 1.444 131 H CB 0.683 30.456 29.762 0.019 0.000 1.458 131 H HN 0.292 nan 8.280 nan 0.000 0.572 132 P HA -0.070 nan 4.420 nan 0.000 0.266 132 P C 0.383 177.711 177.300 0.047 0.000 1.193 132 P CA 0.195 63.331 63.100 0.060 0.000 0.770 132 P CB 0.893 32.611 31.700 0.030 0.000 0.836 133 N N 1.320 120.030 118.700 0.018 0.000 2.184 133 N HA -0.294 4.445 4.740 -0.001 0.000 0.190 133 N C 1.811 177.275 175.510 -0.078 0.000 1.011 133 N CA 1.180 54.200 53.050 -0.051 0.000 0.867 133 N CB -0.263 38.174 38.487 -0.083 0.000 0.993 133 N HN 0.606 nan 8.380 nan 0.000 0.433 134 Q N 1.500 121.276 119.800 -0.039 0.000 2.096 134 Q HA -0.125 4.214 4.340 -0.001 0.000 0.204 134 Q C 1.800 177.782 176.000 -0.029 0.000 0.982 134 Q CA 1.688 57.471 55.803 -0.034 0.000 0.850 134 Q CB -0.447 28.283 28.738 -0.012 0.000 0.901 134 Q HN 0.140 nan 8.270 nan 0.000 0.422 135 V N 0.823 120.735 119.914 -0.003 0.000 2.307 135 V HA -0.210 3.909 4.120 -0.001 0.000 0.245 135 V C 2.468 178.533 176.094 -0.050 0.000 1.045 135 V CA 1.722 64.019 62.300 -0.006 0.000 1.024 135 V CB -0.655 31.200 31.823 0.053 0.000 0.651 135 V HN 0.427 nan 8.190 nan 0.000 0.449 136 L N -0.314 120.883 121.223 -0.043 0.000 2.042 136 L HA -0.255 4.085 4.340 -0.001 0.000 0.210 136 L C 2.602 179.406 176.870 -0.111 0.000 1.076 136 L CA 1.864 56.661 54.840 -0.073 0.000 0.749 136 L CB -0.708 41.317 42.059 -0.056 0.000 0.893 136 L HN 0.348 nan 8.230 nan 0.000 0.432 137 K N 0.091 120.407 120.400 -0.140 0.000 2.057 137 K HA -0.184 4.135 4.320 -0.001 0.000 0.207 137 K C 1.948 178.505 176.600 -0.071 0.000 1.049 137 K CA 1.411 57.610 56.287 -0.146 0.000 0.931 137 K CB -0.141 32.273 32.500 -0.143 0.000 0.714 137 K HN 0.379 nan 8.250 nan 0.000 0.440 138 E N 0.576 120.742 120.200 -0.057 0.000 2.118 138 E HA -0.180 4.170 4.350 -0.001 0.000 0.195 138 E C 1.578 178.152 176.600 -0.044 0.000 0.992 138 E CA 1.075 57.452 56.400 -0.039 0.000 0.804 138 E CB -0.006 29.674 29.700 -0.033 0.000 0.741 138 E HN 0.202 nan 8.360 nan 0.000 0.458 139 R N -0.253 120.208 120.500 -0.065 0.000 2.388 139 R HA 0.125 4.464 4.340 -0.001 0.000 0.247 139 R C 0.550 176.809 176.300 -0.068 0.000 0.931 139 R CA 0.348 56.405 56.100 -0.071 0.000 1.082 139 R CB 0.621 30.860 30.300 -0.101 0.000 1.135 139 R HN 0.147 nan 8.270 nan 0.000 0.525 140 G N 1.667 110.432 108.800 -0.057 0.000 2.393 140 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.299 140 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.299 140 G C -0.151 174.714 174.900 -0.058 0.000 0.990 140 G CA 0.418 45.492 45.100 -0.043 0.000 1.118 140 G HN 0.204 nan 8.290 nan 0.000 0.513 144 K N 1.293 121.752 120.400 0.099 0.000 2.593 144 K HA 0.239 4.558 4.320 -0.001 0.000 0.208 144 K C -0.706 176.076 176.600 0.302 0.000 1.051 144 K CA -0.198 56.143 56.287 0.090 0.000 1.111 144 K CB 0.894 33.179 32.500 -0.358 0.000 0.849 144 K HN -0.122 nan 8.250 nan 0.000 0.479 145 K N 0.498 121.049 120.400 0.252 0.000 2.447 145 K HA 0.026 4.345 4.320 -0.001 0.000 0.281 145 K C 0.870 177.610 176.600 0.233 0.000 1.031 145 K CA 0.943 57.339 56.287 0.182 0.000 1.019 145 K CB 0.647 33.249 32.500 0.169 0.000 0.918 145 K HN 0.506 nan 8.250 nan 0.000 0.476 146 G N 3.133 112.029 108.800 0.161 0.000 2.211 146 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.201 146 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.201 146 G C -0.251 174.895 174.900 0.411 0.000 0.997 146 G CA -0.686 44.599 45.100 0.309 0.000 0.652 146 G HN 0.474 nan 8.290 nan 0.000 0.500 147 F N 1.023 121.115 119.950 0.237 0.000 2.375 147 F HA 0.507 5.034 4.527 -0.001 0.000 0.333 147 F C -0.376 175.568 175.800 0.240 0.000 1.104 147 F CA -1.546 56.543 58.000 0.148 0.000 1.149 147 F CB 1.388 40.410 39.000 0.037 0.000 1.190 147 F HN -0.190 nan 8.300 nan 0.000 0.533 148 P HA -0.266 nan 4.420 nan 0.000 0.219 148 P C 1.022 178.544 177.300 0.370 0.000 1.153 148 P CA 1.905 64.965 63.100 -0.066 0.000 0.865 148 P CB -0.016 31.230 31.700 -0.757 0.000 0.788 149 E N -0.694 119.611 120.200 0.174 0.000 2.489 149 E HA -0.006 4.343 4.350 -0.001 0.000 0.193 149 E C 1.108 177.832 176.600 0.206 0.000 1.057 149 E CA 0.796 57.243 56.400 0.079 0.000 0.866 149 E CB -0.499 28.959 29.700 -0.405 0.000 0.916 149 E HN 0.312 nan 8.360 nan 0.000 0.500 150 S N -0.722 115.161 115.700 0.305 0.000 2.556 150 S HA 0.102 4.571 4.470 -0.001 0.000 0.216 150 S C 0.059 174.802 174.600 0.238 0.000 0.970 150 S CA -0.609 57.714 58.200 0.204 0.000 0.912 150 S CB -0.411 62.846 63.200 0.095 0.000 0.790 150 S HN 0.180 nan 8.310 nan 0.000 0.504 151 Y N 1.658 122.204 120.300 0.410 0.000 2.420 151 Y HA 0.646 5.195 4.550 -0.001 0.000 0.334 151 Y C 0.325 176.389 175.900 0.273 0.000 1.094 151 Y CA -1.057 57.227 58.100 0.307 0.000 1.126 151 Y CB 1.087 39.733 38.460 0.309 0.000 1.217 151 Y HN 0.133 nan 8.280 nan 0.000 0.462 155 R N 1.283 121.902 120.500 0.198 0.000 2.092 155 R HA -0.054 4.286 4.340 -0.001 0.000 0.231 155 R C 1.979 178.460 176.300 0.302 0.000 1.119 155 R CA 1.531 57.770 56.100 0.232 0.000 0.970 155 R CB -0.066 30.372 30.300 0.230 0.000 0.864 155 R HN 0.117 nan 8.270 nan 0.000 0.440 156 L N 0.566 121.886 121.223 0.161 0.000 2.027 156 L HA -0.078 4.261 4.340 -0.001 0.000 0.206 156 L C 1.998 178.810 176.870 -0.098 0.000 1.074 156 L CA 1.569 56.244 54.840 -0.275 0.000 0.745 156 L CB -0.586 41.127 42.059 -0.577 0.000 0.898 156 L HN 0.029 nan 8.230 nan 0.000 0.433 157 V N 0.291 120.151 119.914 -0.090 0.000 2.407 157 V HA -0.299 3.821 4.120 -0.001 0.000 0.248 157 V C 2.667 178.709 176.094 -0.086 0.000 1.055 157 V CA 2.064 64.331 62.300 -0.055 0.000 1.049 157 V CB -0.790 30.991 31.823 -0.070 0.000 0.662 157 V HN 0.597 nan 8.190 nan 0.000 0.455 158 K N -0.036 120.355 120.400 -0.015 0.000 2.148 158 K HA -0.186 4.133 4.320 -0.001 0.000 0.204 158 K C 1.954 178.534 176.600 -0.033 0.000 1.050 158 K CA 1.491 57.754 56.287 -0.040 0.000 0.942 158 K CB -0.412 32.113 32.500 0.041 0.000 0.724 158 K HN 0.343 nan 8.250 nan 0.000 0.446 159 F N 1.316 121.222 119.950 -0.073 0.000 2.051 159 F HA -0.179 4.347 4.527 -0.001 0.000 0.296 159 F C 1.818 177.532 175.800 -0.144 0.000 1.122 159 F CA 1.955 59.936 58.000 -0.032 0.000 1.201 159 F CB -0.781 38.273 39.000 0.091 0.000 0.978 159 F HN -0.050 nan 8.300 nan 0.000 0.472 160 V N -1.677 117.977 119.914 -0.433 0.000 2.515 160 V HA -0.163 3.956 4.120 -0.001 0.000 0.250 160 V C 2.447 178.086 176.094 -0.759 0.000 1.058 160 V CA 1.872 63.829 62.300 -0.572 0.000 1.064 160 V CB -1.538 30.145 31.823 -0.234 0.000 0.675 160 V HN 0.500 nan 8.190 nan 0.000 0.461 161 S N 0.640 115.727 115.700 -1.021 0.000 2.356 161 S HA -0.262 4.207 4.470 -0.001 0.000 0.223 161 S C 1.796 176.008 174.600 -0.647 0.000 1.032 161 S CA 1.996 59.344 58.200 -1.420 0.000 1.005 161 S CB -0.648 61.953 63.200 -0.999 0.000 0.867 161 S HN 0.714 nan 8.310 nan 0.000 0.449 162 D N 1.310 121.457 120.400 -0.422 0.000 2.084 162 D HA -0.057 4.582 4.640 -0.001 0.000 0.194 162 D C 2.056 178.201 176.300 -0.258 0.000 0.990 162 D CA 1.059 54.906 54.000 -0.255 0.000 0.826 162 D CB -0.591 40.115 40.800 -0.157 0.000 0.971 162 D HN 0.367 nan 8.370 nan 0.000 0.453 163 L N 0.108 121.113 121.223 -0.364 0.000 2.013 163 L HA -0.213 4.126 4.340 -0.001 0.000 0.212 163 L C 2.072 178.823 176.870 -0.199 0.000 1.073 163 L CA 1.184 55.842 54.840 -0.304 0.000 0.753 163 L CB -0.265 41.534 42.059 -0.434 0.000 0.890 163 L HN -0.057 nan 8.230 nan 0.000 0.432 164 K N -0.560 119.706 120.400 -0.222 0.000 2.525 164 K HA 0.012 4.331 4.320 -0.001 0.000 0.192 164 K C 1.682 178.244 176.600 -0.063 0.000 1.029 164 K CA 0.351 56.582 56.287 -0.094 0.000 1.029 164 K CB 0.090 32.602 32.500 0.019 0.000 0.814 164 K HN 0.068 nan 8.250 nan 0.000 0.503 165 S N -1.490 114.145 115.700 -0.109 0.000 2.524 165 S HA 0.193 4.662 4.470 -0.001 0.000 0.215 165 S C 1.125 175.697 174.600 -0.046 0.000 0.986 165 S CA 0.389 58.549 58.200 -0.067 0.000 0.911 165 S CB 0.775 63.921 63.200 -0.090 0.000 0.805 165 S HN 0.489 nan 8.310 nan 0.000 0.501 166 G N 1.212 109.980 108.800 -0.052 0.000 2.175 166 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.244 166 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.244 166 G C 0.171 175.052 174.900 -0.032 0.000 0.982 166 G CA -0.067 45.014 45.100 -0.031 0.000 0.641 166 G HN 0.388 nan 8.290 nan 0.000 0.527 167 V N 2.253 122.140 119.914 -0.046 0.000 2.539 167 V HA 0.082 4.201 4.120 -0.001 0.000 0.300 167 V C 0.212 176.292 176.094 -0.024 0.000 1.019 167 V CA 0.305 62.584 62.300 -0.034 0.000 1.160 167 V CB 0.811 32.608 31.823 -0.043 0.000 0.901 167 V HN 0.198 nan 8.190 nan 0.000 0.481 168 P HA -0.128 nan 4.420 nan 0.000 0.205 168 P C 0.099 177.405 177.300 0.010 0.000 1.164 168 P CA 1.254 64.356 63.100 0.002 0.000 0.938 168 P CB 0.021 31.724 31.700 0.006 0.000 0.777 169 N N -1.081 117.630 118.700 0.019 0.000 2.408 169 N HA 0.423 5.163 4.740 -0.001 0.000 0.280 169 N C -1.400 174.139 175.510 0.049 0.000 1.002 169 N CA -0.809 52.263 53.050 0.035 0.000 0.907 169 N CB 1.609 40.117 38.487 0.034 0.000 1.161 169 N HN -0.238 nan 8.380 nan 0.000 0.488 170 V N 1.196 121.161 119.914 0.084 0.000 2.495 170 V HA 0.396 4.515 4.120 -0.001 0.000 0.298 170 V C 0.487 176.711 176.094 0.217 0.000 1.031 170 V CA -0.741 61.645 62.300 0.143 0.000 0.871 170 V CB 1.576 33.480 31.823 0.135 0.000 0.988 170 V HN 0.867 nan 8.190 nan 0.000 0.432 171 T N 2.754 117.411 114.554 0.173 0.000 2.907 171 T HA 0.810 5.160 4.350 -0.001 0.000 0.284 171 T C -0.326 174.393 174.700 0.033 0.000 1.004 171 T CA 0.029 62.184 62.100 0.092 0.000 1.063 171 T CB 1.445 70.328 68.868 0.025 0.000 0.992 171 T HN 1.203 nan 8.240 nan 0.000 0.483 172 A N 5.030 127.774 122.820 -0.126 0.000 2.449 172 A HA 0.818 5.137 4.320 -0.001 0.000 0.302 172 A C -2.885 174.453 177.584 -0.410 0.000 1.048 172 A CA -1.953 49.836 52.037 -0.413 0.000 0.708 172 A CB 1.489 20.131 19.000 -0.597 0.000 1.274 172 A HN 0.734 nan 8.150 nan 0.000 0.410 173 P HA 0.407 nan 4.420 nan 0.000 0.274 173 P C -0.647 176.443 177.300 -0.351 0.000 1.237 173 P CA -0.117 62.694 63.100 -0.481 0.000 0.793 173 P CB 1.106 32.446 31.700 -0.601 0.000 0.977 174 V N 2.024 121.824 119.914 -0.190 0.000 2.656 174 V HA 0.260 4.379 4.120 -0.001 0.000 0.307 174 V C -0.679 175.399 176.094 -0.025 0.000 1.051 174 V CA -0.676 61.573 62.300 -0.085 0.000 0.893 174 V CB 1.734 33.519 31.823 -0.063 0.000 0.999 174 V HN 0.451 nan 8.190 nan 0.000 0.426 175 Y N 2.767 122.987 120.300 -0.134 0.000 2.323 175 Y HA 0.574 5.124 4.550 -0.001 0.000 0.331 175 Y C 0.513 176.284 175.900 -0.215 0.000 1.092 175 Y CA -0.059 57.931 58.100 -0.183 0.000 1.150 175 Y CB 1.798 40.130 38.460 -0.214 0.000 1.200 175 Y HN 0.629 nan 8.280 nan 0.000 0.472 176 S N 3.820 119.075 115.700 -0.741 0.000 2.442 176 S HA 0.245 4.715 4.470 -0.001 0.000 0.297 176 S C -0.286 173.844 174.600 -0.783 0.000 1.131 176 S CA -0.467 57.413 58.200 -0.532 0.000 1.092 176 S CB 0.271 63.267 63.200 -0.340 0.000 0.998 176 S HN 0.885 nan 8.310 nan 0.000 0.478 177 H N 4.211 123.055 119.070 -0.377 0.000 2.524 177 H HA 0.326 4.882 4.556 -0.001 0.000 0.280 177 H C 1.059 176.268 175.328 -0.198 0.000 1.018 177 H CA 0.058 55.820 56.048 -0.476 0.000 1.165 177 H CB 0.308 29.938 29.762 -0.220 0.000 1.411 177 H HN 0.363 nan 8.280 nan 0.000 0.569 178 L N -0.144 121.050 121.223 -0.047 0.000 2.265 178 L HA 0.070 4.409 4.340 -0.001 0.000 0.195 178 L C 1.899 178.833 176.870 0.107 0.000 1.083 178 L CA 1.270 56.151 54.840 0.069 0.000 0.798 178 L CB -0.581 41.489 42.059 0.018 0.000 0.989 178 L HN 0.362 nan 8.230 nan 0.000 0.472 179 I N -5.476 115.088 120.570 -0.009 0.000 3.603 179 I HA 0.031 4.201 4.170 -0.001 0.000 0.297 179 I C 0.033 176.188 176.117 0.063 0.000 1.269 179 I CA -0.265 61.047 61.300 0.020 0.000 1.361 179 I CB -0.312 37.658 38.000 -0.051 0.000 1.063 179 I HN 0.061 nan 8.210 nan 0.000 0.448 180 Y N 2.447 122.603 120.300 -0.241 0.000 2.987 180 Y HA -0.260 4.290 4.550 -0.001 0.000 0.177 180 Y C -0.158 175.542 175.900 -0.334 0.000 1.560 180 Y CA 1.076 58.988 58.100 -0.313 0.000 0.893 180 Y CB -1.244 37.266 38.460 0.083 0.000 1.372 180 Y HN 0.635 nan 8.280 nan 0.000 0.397 181 D N -1.481 118.525 120.400 -0.657 0.000 2.728 181 D HA 0.367 5.006 4.640 -0.001 0.000 0.249 181 D C -1.143 174.963 176.300 -0.324 0.000 1.225 181 D CA -0.444 53.423 54.000 -0.221 0.000 0.748 181 D CB 1.377 42.129 40.800 -0.078 0.000 1.326 181 D HN -0.076 nan 8.370 nan 0.000 0.426 182 V N 2.539 122.449 119.914 -0.007 0.000 2.485 182 V HA 0.189 4.308 4.120 -0.001 0.000 0.287 182 V C 0.910 176.949 176.094 -0.091 0.000 1.022 182 V CA -0.186 62.107 62.300 -0.012 0.000 1.067 182 V CB -0.146 31.682 31.823 0.008 0.000 0.967 182 V HN 0.361 nan 8.190 nan 0.000 0.479 183 I N 7.584 128.082 120.570 -0.119 0.000 2.664 183 I HA 0.050 4.219 4.170 -0.001 0.000 0.284 183 I C -0.799 175.270 176.117 -0.079 0.000 1.154 183 I CA -1.094 60.144 61.300 -0.103 0.000 1.402 183 I CB 0.124 38.065 38.000 -0.100 0.000 1.395 183 I HN 0.477 nan 8.210 nan 0.000 0.545 184 P HA -0.238 nan 4.420 nan 0.000 0.219 184 P C 0.339 177.608 177.300 -0.052 0.000 1.159 184 P CA 1.667 64.736 63.100 -0.051 0.000 0.944 184 P CB 0.127 31.802 31.700 -0.041 0.000 0.792 185 D N -2.438 117.933 120.400 -0.049 0.000 2.957 185 D HA 0.239 4.878 4.640 -0.001 0.000 0.352 185 D C 0.724 176.996 176.300 -0.047 0.000 1.352 185 D CA 0.087 54.060 54.000 -0.045 0.000 0.831 185 D CB 0.132 40.912 40.800 -0.033 0.000 1.147 185 D HN 0.157 nan 8.370 nan 0.000 0.467 186 G N 0.508 109.272 108.800 -0.060 0.000 3.690 186 G HA2 0.035 3.994 3.960 -0.001 0.000 0.283 186 G HA3 0.035 3.994 3.960 -0.001 0.000 0.283 186 G C 0.233 175.092 174.900 -0.068 0.000 1.057 186 G CA -0.366 44.699 45.100 -0.058 0.000 0.821 186 G HN -0.024 nan 8.290 nan 0.000 0.526 187 D N 0.996 121.349 120.400 -0.078 0.000 2.472 187 D HA 0.222 4.861 4.640 -0.001 0.000 0.237 187 D C 0.496 176.759 176.300 -0.062 0.000 1.141 187 D CA 0.541 54.483 54.000 -0.097 0.000 0.875 187 D CB 1.434 42.174 40.800 -0.101 0.000 1.192 187 D HN 0.265 nan 8.370 nan 0.000 0.450 188 K N 0.442 120.804 120.400 -0.064 0.000 2.138 188 K HA 0.396 4.715 4.320 -0.001 0.000 0.263 188 K C -0.806 175.801 176.600 0.012 0.000 0.965 188 K CA -0.517 55.758 56.287 -0.019 0.000 0.868 188 K CB 1.023 33.517 32.500 -0.009 0.000 1.083 188 K HN 0.178 nan 8.250 nan 0.000 0.443 189 T N 3.121 117.696 114.554 0.035 0.000 2.767 189 T HA 0.258 4.607 4.350 -0.001 0.000 0.288 189 T C -0.824 173.930 174.700 0.089 0.000 0.963 189 T CA -0.637 61.500 62.100 0.062 0.000 1.019 189 T CB 0.959 69.853 68.868 0.044 0.000 0.923 189 T HN 0.344 nan 8.240 nan 0.000 0.468 190 V N 5.092 125.087 119.914 0.135 0.000 2.288 190 V HA 0.207 4.326 4.120 -0.001 0.000 0.266 190 V C 0.194 176.341 176.094 0.089 0.000 1.048 190 V CA -0.727 61.658 62.300 0.141 0.000 0.842 190 V CB 0.724 32.687 31.823 0.234 0.000 1.064 190 V HN 0.721 nan 8.190 nan 0.000 0.472 191 V N 5.284 125.238 119.914 0.067 0.000 2.299 191 V HA 0.211 4.330 4.120 -0.001 0.000 0.255 191 V C 0.622 176.742 176.094 0.043 0.000 1.100 191 V CA -0.631 61.697 62.300 0.047 0.000 0.938 191 V CB 0.228 32.075 31.823 0.040 0.000 1.139 191 V HN 0.884 nan 8.190 nan 0.000 0.490 192 Q N 3.646 123.466 119.800 0.033 0.000 2.324 192 Q HA -0.179 4.160 4.340 -0.001 0.000 0.328 192 Q C -1.981 174.042 176.000 0.037 0.000 1.193 192 Q CA 0.518 56.337 55.803 0.026 0.000 1.059 192 Q CB -0.620 28.130 28.738 0.019 0.000 1.179 192 Q HN 0.644 nan 8.270 nan 0.000 0.294 193 P HA 0.177 nan 4.420 nan 0.000 0.279 193 P C 0.326 177.660 177.300 0.056 0.000 1.276 193 P CA -0.406 62.727 63.100 0.055 0.000 0.801 193 P CB 0.846 32.583 31.700 0.063 0.000 1.127 194 D N -0.410 120.031 120.400 0.068 0.000 2.162 194 D HA 0.089 4.729 4.640 -0.001 0.000 0.205 194 D C 0.638 176.972 176.300 0.055 0.000 0.964 194 D CA 1.355 55.398 54.000 0.072 0.000 0.847 194 D CB 0.337 41.204 40.800 0.111 0.000 0.988 194 D HN 0.319 nan 8.370 nan 0.000 0.480 195 I N 0.927 121.519 120.570 0.036 0.000 2.582 195 I HA 0.296 4.466 4.170 -0.001 0.000 0.292 195 I C -0.966 175.190 176.117 0.065 0.000 1.066 195 I CA -0.866 60.460 61.300 0.043 0.000 1.053 195 I CB 3.016 40.974 38.000 -0.070 0.000 1.241 195 I HN -0.192 nan 8.210 nan 0.000 0.421 196 L N 7.144 128.417 121.223 0.083 0.000 2.362 196 L HA 0.644 4.984 4.340 -0.001 0.000 0.275 196 L C -1.286 175.641 176.870 0.096 0.000 0.998 196 L CA -0.237 54.653 54.840 0.084 0.000 0.820 196 L CB 1.598 43.695 42.059 0.065 0.000 1.270 196 L HN 0.488 nan 8.230 nan 0.000 0.415 197 I N 5.721 126.353 120.570 0.103 0.000 2.330 197 I HA 0.264 4.434 4.170 -0.001 0.000 0.289 197 I C -0.962 175.222 176.117 0.112 0.000 1.001 197 I CA -0.544 60.818 61.300 0.103 0.000 1.193 197 I CB 1.706 39.760 38.000 0.090 0.000 1.345 197 I HN 0.453 nan 8.210 nan 0.000 0.461 198 L N 8.105 129.391 121.223 0.105 0.000 2.272 198 L HA 0.359 4.698 4.340 -0.001 0.000 0.284 198 L C 0.012 176.928 176.870 0.077 0.000 1.045 198 L CA 0.145 55.046 54.840 0.102 0.000 0.842 198 L CB 0.651 42.766 42.059 0.092 0.000 1.224 198 L HN 0.524 nan 8.230 nan 0.000 0.430 199 E N 4.122 124.368 120.200 0.078 0.000 2.191 199 E HA 0.729 5.079 4.350 -0.001 0.000 0.278 199 E C -0.660 175.977 176.600 0.062 0.000 0.972 199 E CA -0.315 56.123 56.400 0.062 0.000 0.804 199 E CB 1.586 31.322 29.700 0.059 0.000 1.110 199 E HN 0.763 nan 8.360 nan 0.000 0.394 200 G N 2.454 111.282 108.800 0.047 0.000 2.316 200 G HA2 0.089 4.048 3.960 -0.001 0.000 0.296 200 G HA3 0.089 4.048 3.960 -0.001 0.000 0.296 200 G C 0.147 175.066 174.900 0.031 0.000 1.399 200 G CA -0.623 44.513 45.100 0.061 0.000 0.833 200 G HN 0.511 nan 8.290 nan 0.000 0.565 201 L N -0.024 121.232 121.223 0.055 0.000 2.109 201 L HA 0.060 4.399 4.340 -0.001 0.000 0.207 201 L C 2.432 179.276 176.870 -0.043 0.000 1.086 201 L CA 1.815 56.667 54.840 0.021 0.000 0.760 201 L CB -0.212 41.895 42.059 0.080 0.000 0.910 201 L HN 0.765 nan 8.230 nan 0.000 0.437 202 N N -0.369 118.252 118.700 -0.133 0.000 2.322 202 N HA -0.029 4.711 4.740 -0.001 0.000 0.194 202 N C 1.432 176.885 175.510 -0.095 0.000 1.126 202 N CA 0.431 53.377 53.050 -0.173 0.000 0.845 202 N CB 0.185 38.420 38.487 -0.420 0.000 0.976 202 N HN 0.191 nan 8.380 nan 0.000 0.475 203 V N -2.041 117.840 119.914 -0.055 0.000 2.982 203 V HA -0.095 4.024 4.120 -0.001 0.000 0.265 203 V C 1.436 177.535 176.094 0.008 0.000 1.122 203 V CA 1.223 63.510 62.300 -0.022 0.000 1.143 203 V CB -0.689 31.136 31.823 0.003 0.000 0.726 203 V HN 0.382 nan 8.190 nan 0.000 0.507 204 L N -0.544 120.688 121.223 0.014 0.000 2.808 204 L HA 0.306 4.646 4.340 -0.001 0.000 0.246 204 L C 1.087 177.943 176.870 -0.022 0.000 1.153 204 L CA -0.030 54.819 54.840 0.015 0.000 0.956 204 L CB 0.224 42.315 42.059 0.052 0.000 1.270 204 L HN 0.414 nan 8.230 nan 0.000 0.528 205 Q N -0.101 119.693 119.800 -0.011 0.000 2.317 205 Q HA 0.355 4.694 4.340 -0.001 0.000 0.229 205 Q C 0.199 176.154 176.000 -0.076 0.000 0.984 205 Q CA -0.106 55.687 55.803 -0.017 0.000 0.911 205 Q CB 1.714 30.516 28.738 0.107 0.000 1.217 205 Q HN 0.217 nan 8.270 nan 0.000 0.501 206 S N -0.651 114.903 115.700 -0.243 0.000 2.841 206 S HA 0.726 5.196 4.470 -0.001 0.000 0.318 206 S C 0.214 174.539 174.600 -0.459 0.000 1.127 206 S CA -0.390 57.367 58.200 -0.738 0.000 0.883 206 S CB 0.958 63.307 63.200 -1.419 0.000 1.271 206 S HN 0.722 nan 8.310 nan 0.000 0.567 210 Y N 1.495 121.741 120.300 -0.091 0.000 2.495 210 Y HA 0.278 4.827 4.550 -0.001 0.000 0.362 210 Y C -1.788 173.952 175.900 -0.267 0.000 0.956 210 Y CA -1.536 56.474 58.100 -0.150 0.000 1.127 210 Y CB 1.097 39.443 38.460 -0.190 0.000 1.173 210 Y HN -0.129 nan 8.280 nan 0.000 0.639 211 P HA -0.198 nan 4.420 nan 0.000 0.223 211 P C 1.190 178.498 177.300 0.014 0.000 1.151 211 P CA 1.692 64.792 63.100 -0.001 0.000 0.787 211 P CB 0.117 31.838 31.700 0.035 0.000 0.788 212 H N -1.348 117.761 119.070 0.065 0.000 2.524 212 H HA 0.080 4.635 4.556 -0.001 0.000 0.282 212 H C -0.108 175.287 175.328 0.112 0.000 1.016 212 H CA 0.764 56.856 56.048 0.074 0.000 1.270 212 H CB -0.248 29.552 29.762 0.063 0.000 1.394 212 H HN 0.099 nan 8.280 nan 0.000 0.568 213 D N 1.048 121.232 120.400 -0.359 0.000 3.117 213 D HA 0.146 4.785 4.640 -0.001 0.000 0.241 213 D C -2.913 173.350 176.300 -0.061 0.000 1.385 213 D CA -1.388 52.550 54.000 -0.103 0.000 0.855 213 D CB 1.177 41.946 40.800 -0.052 0.000 1.498 213 D HN 0.093 nan 8.370 nan 0.000 0.584 214 P HA 0.095 nan 4.420 nan 0.000 0.269 214 P C -0.324 177.044 177.300 0.112 0.000 1.217 214 P CA 0.276 63.340 63.100 -0.060 0.000 0.783 214 P CB 0.506 32.122 31.700 -0.139 0.000 0.898 215 H N -0.288 118.771 119.070 -0.018 0.000 2.806 215 H HA 0.383 4.939 4.556 -0.001 0.000 0.367 215 H C -0.524 174.753 175.328 -0.085 0.000 1.136 215 H CA -0.685 55.431 56.048 0.115 0.000 1.178 215 H CB 1.000 30.906 29.762 0.240 0.000 1.718 215 H HN 0.399 nan 8.280 nan 0.000 0.540 216 H N 1.288 120.464 119.070 0.178 0.000 2.652 216 H HA 0.363 4.919 4.556 -0.001 0.000 0.274 216 H C -0.153 174.960 175.328 -0.359 0.000 1.021 216 H CA 0.012 56.062 56.048 0.003 0.000 1.187 216 H CB 0.835 30.592 29.762 -0.010 0.000 1.505 216 H HN 0.221 nan 8.280 nan 0.000 0.530 217 V N 1.875 121.655 119.914 -0.223 0.000 2.525 217 V HA 0.269 4.388 4.120 -0.001 0.000 0.299 217 V C -0.856 175.059 176.094 -0.298 0.000 1.034 217 V CA -0.966 61.024 62.300 -0.517 0.000 0.863 217 V CB 1.101 32.822 31.823 -0.171 0.000 0.999 217 V HN 0.128 nan 8.190 nan 0.000 0.423 218 F N 2.543 122.537 119.950 0.073 0.000 2.408 218 F HA 0.497 5.024 4.527 -0.001 0.000 0.325 218 F C 1.472 177.287 175.800 0.025 0.000 1.082 218 F CA -0.909 57.145 58.000 0.090 0.000 1.032 218 F CB 0.815 39.869 39.000 0.090 0.000 1.259 218 F HN 0.178 nan 8.300 nan 0.000 0.503 219 V N 0.673 120.741 119.914 0.258 0.000 2.324 219 V HA -0.326 3.793 4.120 -0.001 0.000 0.250 219 V C 2.291 178.472 176.094 0.145 0.000 1.060 219 V CA 2.519 64.940 62.300 0.202 0.000 1.042 219 V CB -0.986 30.882 31.823 0.075 0.000 0.650 219 V HN 0.959 nan 8.190 nan 0.000 0.450 220 S N -0.453 115.319 115.700 0.121 0.000 2.440 220 S HA -0.236 4.233 4.470 -0.001 0.000 0.238 220 S C 1.514 176.088 174.600 -0.043 0.000 1.010 220 S CA 1.523 59.754 58.200 0.051 0.000 0.972 220 S CB -0.509 62.733 63.200 0.070 0.000 0.774 220 S HN 0.628 nan 8.310 nan 0.000 0.501 221 D N 0.503 120.804 120.400 -0.164 0.000 2.348 221 D HA 0.085 4.725 4.640 -0.001 0.000 0.216 221 D C 0.339 176.238 176.300 -0.670 0.000 0.970 221 D CA 0.720 54.437 54.000 -0.471 0.000 0.889 221 D CB -0.145 40.209 40.800 -0.743 0.000 0.912 221 D HN 0.603 nan 8.370 nan 0.000 0.524 222 F N -0.234 119.688 119.950 -0.047 0.000 2.724 222 F HA 0.169 4.695 4.527 -0.001 0.000 0.310 222 F C 0.272 176.014 175.800 -0.097 0.000 1.107 222 F CA -0.365 57.588 58.000 -0.078 0.000 1.218 222 F CB 0.993 39.938 39.000 -0.091 0.000 1.042 222 F HN -0.344 nan 8.300 nan 0.000 0.540 223 V N 0.903 120.832 119.914 0.026 0.000 2.513 223 V HA 0.160 4.279 4.120 -0.001 0.000 0.299 223 V C 0.336 176.369 176.094 -0.103 0.000 1.035 223 V CA -0.628 61.653 62.300 -0.031 0.000 0.889 223 V CB 1.805 33.627 31.823 -0.001 0.000 0.988 223 V HN 0.160 nan 8.190 nan 0.000 0.440 224 D N 2.451 122.715 120.400 -0.227 0.000 2.213 224 D HA 0.056 4.696 4.640 -0.001 0.000 0.205 224 D C -0.134 176.126 176.300 -0.067 0.000 0.961 224 D CA 1.560 55.373 54.000 -0.310 0.000 0.853 224 D CB 0.673 40.877 40.800 -0.995 0.000 0.967 224 D HN 0.399 nan 8.370 nan 0.000 0.496 225 F N 0.894 120.732 119.950 -0.186 0.000 2.630 225 F HA 0.154 4.681 4.527 -0.001 0.000 0.325 225 F C -0.887 174.899 175.800 -0.024 0.000 1.184 225 F CA -0.796 57.161 58.000 -0.073 0.000 1.011 225 F CB 1.636 40.644 39.000 0.014 0.000 1.268 225 F HN -0.308 nan 8.300 nan 0.000 0.480 226 S N 6.266 121.837 115.700 -0.215 0.000 2.501 226 S HA 0.842 5.311 4.470 -0.001 0.000 0.301 226 S C -0.957 173.618 174.600 -0.041 0.000 1.096 226 S CA -0.622 57.550 58.200 -0.048 0.000 1.063 226 S CB 1.775 64.945 63.200 -0.049 0.000 1.042 226 S HN 0.563 nan 8.310 nan 0.000 0.494 227 I N 2.738 123.372 120.570 0.106 0.000 2.466 227 I HA 0.363 4.532 4.170 -0.001 0.000 0.289 227 I C -1.445 174.754 176.117 0.136 0.000 1.026 227 I CA -0.828 60.557 61.300 0.142 0.000 1.078 227 I CB 1.896 40.019 38.000 0.204 0.000 1.249 227 I HN 0.819 nan 8.210 nan 0.000 0.429 228 Y N 6.614 126.922 120.300 0.014 0.000 2.335 228 Y HA 0.529 5.078 4.550 -0.001 0.000 0.338 228 Y C -0.665 175.247 175.900 0.019 0.000 0.977 228 Y CA -0.729 57.376 58.100 0.008 0.000 1.114 228 Y CB 1.432 39.877 38.460 -0.024 0.000 1.182 228 Y HN 0.219 nan 8.280 nan 0.000 0.463 229 V N 6.295 126.008 119.914 -0.336 0.000 2.320 229 V HA 0.170 4.290 4.120 -0.001 0.000 0.265 229 V C -0.295 175.732 176.094 -0.112 0.000 1.048 229 V CA -0.518 61.709 62.300 -0.121 0.000 0.865 229 V CB 0.437 32.222 31.823 -0.064 0.000 1.043 229 V HN 0.694 nan 8.190 nan 0.000 0.474 230 D N 3.350 123.859 120.400 0.181 0.000 2.229 230 D HA 0.819 5.458 4.640 -0.001 0.000 0.249 230 D C -0.190 176.223 176.300 0.188 0.000 1.027 230 D CA 0.130 54.303 54.000 0.288 0.000 0.923 230 D CB 2.045 43.024 40.800 0.298 0.000 1.174 230 D HN 0.803 nan 8.370 nan 0.000 0.443 231 A N 2.271 125.185 122.820 0.157 0.000 2.594 231 A HA 0.522 4.841 4.320 -0.001 0.000 0.296 231 A C -2.809 174.770 177.584 -0.009 0.000 1.056 231 A CA -1.148 50.925 52.037 0.059 0.000 0.693 231 A CB 1.321 20.359 19.000 0.063 0.000 1.278 231 A HN 0.452 nan 8.150 nan 0.000 0.408 232 P HA 0.104 nan 4.420 nan 0.000 0.266 232 P C 0.631 177.895 177.300 -0.060 0.000 1.195 232 P CA 0.378 63.446 63.100 -0.052 0.000 0.768 232 P CB 0.909 32.566 31.700 -0.071 0.000 0.838 233 E N 2.075 122.303 120.200 0.047 0.000 2.095 233 E HA -0.310 4.039 4.350 -0.001 0.000 0.212 233 E C 1.546 178.190 176.600 0.074 0.000 1.044 233 E CA 2.574 59.074 56.400 0.166 0.000 0.857 233 E CB -0.357 29.501 29.700 0.263 0.000 0.764 233 E HN 0.624 nan 8.360 nan 0.000 0.462 234 D N -0.074 120.317 120.400 -0.015 0.000 2.158 234 D HA -0.221 4.418 4.640 -0.001 0.000 0.197 234 D C 1.885 178.021 176.300 -0.274 0.000 0.995 234 D CA 1.038 54.974 54.000 -0.107 0.000 0.846 234 D CB -0.494 40.247 40.800 -0.099 0.000 0.941 234 D HN 0.215 nan 8.370 nan 0.000 0.456 235 L N 0.306 121.291 121.223 -0.396 0.000 2.005 235 L HA 0.017 4.356 4.340 -0.001 0.000 0.207 235 L C 2.750 179.045 176.870 -0.959 0.000 1.072 235 L CA 1.078 55.439 54.840 -0.798 0.000 0.744 235 L CB -1.004 40.461 42.059 -0.990 0.000 0.895 235 L HN 0.077 nan 8.230 nan 0.000 0.433 236 L N -0.935 119.924 121.223 -0.606 0.000 2.089 236 L HA -0.315 4.025 4.340 -0.001 0.000 0.213 236 L C 2.592 179.110 176.870 -0.587 0.000 1.079 236 L CA 1.620 56.276 54.840 -0.308 0.000 0.758 236 L CB -0.621 41.480 42.059 0.069 0.000 0.891 236 L HN 0.438 nan 8.230 nan 0.000 0.433 237 Q N -0.027 119.315 119.800 -0.764 0.000 2.002 237 Q HA -0.207 4.132 4.340 -0.001 0.000 0.204 237 Q C 2.066 177.699 176.000 -0.611 0.000 0.988 237 Q CA 2.708 57.803 55.803 -1.180 0.000 0.843 237 Q CB -0.188 28.152 28.738 -0.664 0.000 0.908 237 Q HN 0.378 nan 8.270 nan 0.000 0.420 238 T N 0.132 114.451 114.554 -0.391 0.000 2.652 238 T HA -0.189 4.160 4.350 -0.001 0.000 0.267 238 T C 1.191 175.913 174.700 0.036 0.000 1.039 238 T CA 1.464 63.459 62.100 -0.175 0.000 1.153 238 T CB -0.534 68.227 68.868 -0.179 0.000 0.863 238 T HN 0.429 nan 8.240 nan 0.000 0.428 239 W N 0.861 122.110 121.300 -0.086 0.000 2.321 239 W HA -0.088 4.572 4.660 -0.001 0.000 0.306 239 W C 2.225 178.742 176.519 -0.002 0.000 1.217 239 W CA 0.087 57.426 57.345 -0.010 0.000 1.257 239 W CB -1.627 27.839 29.460 0.010 0.000 1.145 239 W HN 0.376 nan 8.180 nan 0.000 0.509 240 Y N 0.922 121.248 120.300 0.044 0.000 2.114 240 Y HA -0.269 4.280 4.550 -0.001 0.000 0.284 240 Y C 2.422 178.365 175.900 0.071 0.000 1.143 240 Y CA 2.383 60.489 58.100 0.010 0.000 1.135 240 Y CB -0.632 37.697 38.460 -0.219 0.000 0.980 240 Y HN -0.255 nan 8.280 nan 0.000 0.499 241 I N 0.559 121.246 120.570 0.196 0.000 2.163 241 I HA -0.341 3.828 4.170 -0.001 0.000 0.243 241 I C 1.823 178.042 176.117 0.170 0.000 1.085 241 I CA 1.537 62.948 61.300 0.185 0.000 1.347 241 I CB -1.323 36.740 38.000 0.104 0.000 1.044 241 I HN 0.367 nan 8.210 nan 0.000 0.408 242 N N 1.183 119.972 118.700 0.149 0.000 2.069 242 N HA -0.221 4.518 4.740 -0.001 0.000 0.191 242 N C 1.957 177.558 175.510 0.151 0.000 1.031 242 N CA 1.316 54.459 53.050 0.155 0.000 0.852 242 N CB -0.580 38.017 38.487 0.184 0.000 1.018 242 N HN 0.376 nan 8.380 nan 0.000 0.423 243 R N -0.205 120.360 120.500 0.107 0.000 2.091 243 R HA -0.131 4.209 4.340 -0.001 0.000 0.238 243 R C 2.170 178.557 176.300 0.145 0.000 1.136 243 R CA 1.134 57.286 56.100 0.087 0.000 0.959 243 R CB -0.461 29.799 30.300 -0.067 0.000 0.856 243 R HN 0.210 nan 8.270 nan 0.000 0.437 244 F N 1.085 120.982 119.950 -0.089 0.000 2.102 244 F HA -0.217 4.310 4.527 -0.001 0.000 0.298 244 F C 1.944 177.791 175.800 0.077 0.000 1.105 244 F CA 1.338 59.307 58.000 -0.052 0.000 1.239 244 F CB -0.503 38.413 39.000 -0.140 0.000 0.991 244 F HN 0.063 nan 8.300 nan 0.000 0.474 245 L N 0.938 122.236 121.223 0.125 0.000 2.013 245 L HA -0.257 4.082 4.340 -0.001 0.000 0.212 245 L C 2.527 179.430 176.870 0.055 0.000 1.073 245 L CA 2.006 56.884 54.840 0.063 0.000 0.753 245 L CB -0.920 41.220 42.059 0.135 0.000 0.890 245 L HN 0.142 nan 8.230 nan 0.000 0.432 246 K N -1.722 118.759 120.400 0.135 0.000 1.984 246 K HA -0.146 4.173 4.320 -0.001 0.000 0.209 246 K C 2.066 178.750 176.600 0.140 0.000 1.046 246 K CA 1.840 58.212 56.287 0.142 0.000 0.934 246 K CB -0.177 32.468 32.500 0.242 0.000 0.717 246 K HN 0.223 nan 8.250 nan 0.000 0.438 247 F N 0.352 120.341 119.950 0.065 0.000 2.188 247 F HA 0.165 4.691 4.527 -0.001 0.000 0.289 247 F C 0.582 176.364 175.800 -0.031 0.000 1.082 247 F CA 0.411 58.486 58.000 0.125 0.000 1.282 247 F CB -0.024 39.089 39.000 0.188 0.000 1.060 247 F HN -0.017 nan 8.300 nan 0.000 0.493 248 R N 0.864 121.290 120.500 -0.124 0.000 3.332 248 R HA -0.245 4.094 4.340 -0.001 0.000 0.263 248 R C -0.426 175.817 176.300 -0.096 0.000 1.053 248 R CA 0.562 56.382 56.100 -0.467 0.000 0.705 248 R CB -2.535 27.404 30.300 -0.603 0.000 1.166 248 R HN 0.249 nan 8.270 nan 0.000 0.427 249 E N -0.694 119.428 120.200 -0.131 0.000 2.360 249 E HA -0.211 4.138 4.350 -0.001 0.000 0.238 249 E C 0.970 177.303 176.600 -0.445 0.000 1.186 249 E CA 2.015 58.139 56.400 -0.460 0.000 0.719 249 E CB -1.554 28.174 29.700 0.046 0.000 1.236 249 E HN 0.890 nan 8.360 nan 0.000 0.386 250 G N -1.548 107.159 108.800 -0.154 0.000 2.225 250 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.267 250 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.267 250 G C 0.998 175.975 174.900 0.128 0.000 1.024 250 G CA 0.832 46.078 45.100 0.242 0.000 0.784 250 G HN 1.066 nan 8.290 nan 0.000 0.507 251 A N -1.082 121.734 122.820 -0.006 0.000 2.168 251 A HA 0.470 4.789 4.320 -0.001 0.000 0.215 251 A C 1.778 179.339 177.584 -0.037 0.000 1.152 251 A CA 1.486 53.496 52.037 -0.046 0.000 0.716 251 A CB -0.210 18.687 19.000 -0.172 0.000 0.794 251 A HN 0.649 nan 8.150 nan 0.000 0.465 252 F N -0.505 119.494 119.950 0.081 0.000 2.754 252 F HA 0.001 4.527 4.527 -0.001 0.000 0.297 252 F C 2.377 178.199 175.800 0.036 0.000 1.122 252 F CA 1.027 59.052 58.000 0.042 0.000 1.400 252 F CB 0.572 39.560 39.000 -0.020 0.000 1.117 252 F HN 0.355 nan 8.300 nan 0.000 0.587 253 T N -4.872 109.822 114.554 0.235 0.000 2.975 253 T HA 0.073 4.422 4.350 -0.001 0.000 0.257 253 T C -0.025 174.741 174.700 0.111 0.000 1.003 253 T CA -0.161 62.032 62.100 0.156 0.000 0.932 253 T CB 0.209 69.174 68.868 0.162 0.000 1.087 253 T HN -0.071 nan 8.240 nan 0.000 0.512 254 D N 1.824 122.288 120.400 0.106 0.000 2.469 254 D HA 0.412 5.051 4.640 -0.001 0.000 0.251 254 D C -2.052 174.251 176.300 0.006 0.000 1.173 254 D CA -2.487 51.545 54.000 0.054 0.000 0.882 254 D CB 2.217 43.055 40.800 0.064 0.000 1.129 254 D HN -0.146 nan 8.370 nan 0.000 0.549 255 P HA -0.112 nan 4.420 nan 0.000 0.216 255 P C -0.414 176.750 177.300 -0.227 0.000 1.154 255 P CA 1.300 64.323 63.100 -0.129 0.000 0.865 255 P CB 0.193 31.834 31.700 -0.098 0.000 0.789 256 D N -1.384 118.940 120.400 -0.127 0.000 3.071 256 D HA 0.145 4.785 4.640 -0.001 0.000 0.259 256 D C 0.224 176.487 176.300 -0.060 0.000 1.331 256 D CA -0.145 53.784 54.000 -0.117 0.000 0.861 256 D CB -0.247 40.505 40.800 -0.080 0.000 1.059 256 D HN -0.014 nan 8.370 nan 0.000 0.486 257 S N -0.243 115.434 115.700 -0.037 0.000 2.589 257 S HA 0.002 4.471 4.470 -0.001 0.000 0.265 257 S C 0.828 175.404 174.600 -0.039 0.000 1.342 257 S CA -0.428 57.773 58.200 0.002 0.000 1.005 257 S CB 0.616 63.842 63.200 0.043 0.000 0.909 257 S HN 0.416 nan 8.310 nan 0.000 0.555 258 Y N 2.083 122.220 120.300 -0.271 0.000 2.395 258 Y HA 0.221 4.771 4.550 -0.001 0.000 0.293 258 Y C 0.748 176.316 175.900 -0.553 0.000 1.123 258 Y CA 1.197 59.017 58.100 -0.466 0.000 1.227 258 Y CB 0.017 38.034 38.460 -0.739 0.000 1.012 258 Y HN 0.684 nan 8.280 nan 0.000 0.552 259 F N -0.628 119.250 119.950 -0.120 0.000 2.837 259 F HA 0.136 4.662 4.527 -0.001 0.000 0.298 259 F C 2.051 177.622 175.800 -0.382 0.000 1.161 259 F CA -0.127 57.592 58.000 -0.469 0.000 1.353 259 F CB -0.397 38.183 39.000 -0.700 0.000 0.951 259 F HN 0.212 nan 8.300 nan 0.000 0.508 260 H N 1.051 120.025 119.070 -0.159 0.000 2.353 260 H HA -0.194 4.361 4.556 -0.001 0.000 0.298 260 H C 1.301 176.579 175.328 -0.083 0.000 1.103 260 H CA 2.153 58.131 56.048 -0.116 0.000 1.293 260 H CB 0.044 29.748 29.762 -0.097 0.000 1.372 260 H HN 0.387 nan 8.280 nan 0.000 0.501 261 N N -0.220 118.321 118.700 -0.265 0.000 2.334 261 N HA -0.174 4.566 4.740 -0.001 0.000 0.187 261 N C 1.334 176.830 175.510 -0.022 0.000 1.016 261 N CA 0.896 53.817 53.050 -0.216 0.000 0.879 261 N CB -0.207 38.244 38.487 -0.060 0.000 0.965 261 N HN 0.526 nan 8.380 nan 0.000 0.438 262 Y N 0.340 120.569 120.300 -0.119 0.000 2.574 262 Y HA -0.125 4.425 4.550 -0.001 0.000 0.294 262 Y C 2.401 178.142 175.900 -0.265 0.000 1.142 262 Y CA -0.184 57.852 58.100 -0.106 0.000 1.314 262 Y CB 0.021 38.429 38.460 -0.087 0.000 0.991 262 Y HN 0.203 nan 8.280 nan 0.000 0.555 263 A N 1.105 123.795 122.820 -0.218 0.000 1.873 263 A HA -0.203 4.116 4.320 -0.001 0.000 0.215 263 A C 2.071 179.590 177.584 -0.108 0.000 1.186 263 A CA 1.493 53.336 52.037 -0.323 0.000 0.616 263 A CB -0.385 18.444 19.000 -0.284 0.000 0.823 263 A HN 0.367 nan 8.150 nan 0.000 0.442 264 K N -0.711 119.628 120.400 -0.101 0.000 2.280 264 K HA -0.013 4.306 4.320 -0.001 0.000 0.202 264 K C -0.322 176.286 176.600 0.014 0.000 1.047 264 K CA 0.119 56.389 56.287 -0.028 0.000 0.942 264 K CB -0.516 31.957 32.500 -0.045 0.000 0.739 264 K HN 0.267 nan 8.250 nan 0.000 0.457 265 L N 2.503 123.738 121.223 0.020 0.000 2.525 265 L HA -0.052 4.287 4.340 -0.001 0.000 0.278 265 L C 1.004 177.906 176.870 0.055 0.000 1.218 265 L CA 0.804 55.669 54.840 0.041 0.000 0.878 265 L CB 0.202 42.292 42.059 0.052 0.000 1.127 265 L HN 0.187 nan 8.230 nan 0.000 0.492 266 T N 0.597 115.182 114.554 0.051 0.000 2.899 266 T HA 0.222 4.571 4.350 -0.001 0.000 0.284 266 T C 1.286 176.023 174.700 0.061 0.000 1.004 266 T CA -0.648 61.485 62.100 0.054 0.000 1.043 266 T CB 0.851 69.743 68.868 0.040 0.000 1.013 266 T HN 0.585 nan 8.240 nan 0.000 0.518 267 K N 1.112 121.549 120.400 0.062 0.000 2.030 267 K HA -0.259 4.061 4.320 -0.001 0.000 0.222 267 K C 2.086 178.724 176.600 0.063 0.000 1.056 267 K CA 2.570 58.897 56.287 0.066 0.000 0.957 267 K CB -0.512 32.019 32.500 0.052 0.000 0.727 267 K HN 0.831 nan 8.250 nan 0.000 0.452 268 E N 0.185 120.412 120.200 0.045 0.000 2.086 268 E HA -0.250 4.099 4.350 -0.001 0.000 0.205 268 E C 2.005 178.626 176.600 0.035 0.000 1.027 268 E CA 1.972 58.393 56.400 0.035 0.000 0.830 268 E CB -0.144 29.571 29.700 0.024 0.000 0.751 268 E HN 0.478 nan 8.360 nan 0.000 0.456 269 E N 0.456 120.679 120.200 0.037 0.000 2.072 269 E HA -0.163 4.186 4.350 -0.001 0.000 0.191 269 E C 2.159 178.788 176.600 0.047 0.000 0.985 269 E CA 0.812 57.231 56.400 0.031 0.000 0.801 269 E CB -0.188 29.531 29.700 0.031 0.000 0.750 269 E HN 0.228 nan 8.360 nan 0.000 0.452 270 A N 1.775 124.652 122.820 0.094 0.000 1.851 270 A HA -0.213 4.107 4.320 -0.001 0.000 0.216 270 A C 2.273 179.968 177.584 0.185 0.000 1.195 270 A CA 1.475 53.639 52.037 0.211 0.000 0.622 270 A CB -0.764 18.354 19.000 0.196 0.000 0.831 270 A HN 0.124 nan 8.150 nan 0.000 0.444 271 I N -0.024 120.620 120.570 0.123 0.000 2.163 271 I HA -0.320 3.850 4.170 -0.001 0.000 0.243 271 I C 2.479 178.602 176.117 0.009 0.000 1.085 271 I CA 2.159 63.506 61.300 0.078 0.000 1.347 271 I CB -0.246 37.788 38.000 0.057 0.000 1.044 271 I HN 0.499 nan 8.210 nan 0.000 0.408 272 K N 0.392 120.792 120.400 -0.000 0.000 2.044 272 K HA -0.230 4.089 4.320 -0.001 0.000 0.210 272 K C 1.980 178.535 176.600 -0.075 0.000 1.049 272 K CA 2.370 58.640 56.287 -0.028 0.000 0.927 272 K CB -0.418 32.071 32.500 -0.018 0.000 0.713 272 K HN 0.247 nan 8.250 nan 0.000 0.443 273 T N 1.092 115.575 114.554 -0.118 0.000 2.708 273 T HA -0.004 4.345 4.350 -0.001 0.000 0.266 273 T C 1.101 175.562 174.700 -0.398 0.000 1.037 273 T CA 0.886 62.834 62.100 -0.254 0.000 1.146 273 T CB -0.423 68.240 68.868 -0.342 0.000 0.865 273 T HN 0.526 nan 8.240 nan 0.000 0.435 277 L N 0.987 122.174 121.223 -0.060 0.000 2.012 277 L HA 0.001 4.341 4.340 -0.001 0.000 0.210 277 L C 2.521 179.375 176.870 -0.025 0.000 1.073 277 L CA 2.011 56.833 54.840 -0.030 0.000 0.748 277 L CB -0.381 41.657 42.059 -0.035 0.000 0.891 277 L HN 0.471 nan 8.230 nan 0.000 0.431 278 W N 1.666 122.784 121.300 -0.304 0.000 2.352 278 W HA -0.214 4.445 4.660 -0.001 0.000 0.322 278 W C 2.332 178.778 176.519 -0.122 0.000 1.208 278 W CA 1.515 58.610 57.345 -0.417 0.000 1.286 278 W CB -0.219 28.942 29.460 -0.498 0.000 1.167 278 W HN 0.048 nan 8.180 nan 0.000 0.469 279 K N 0.228 120.579 120.400 -0.081 0.000 2.113 279 K HA -0.224 4.095 4.320 -0.001 0.000 0.208 279 K C 1.807 178.328 176.600 -0.131 0.000 1.047 279 K CA 2.048 58.196 56.287 -0.232 0.000 0.928 279 K CB -0.329 32.075 32.500 -0.160 0.000 0.716 279 K HN 0.356 nan 8.250 nan 0.000 0.446 280 E N -0.489 119.670 120.200 -0.067 0.000 2.340 280 E HA 0.089 4.438 4.350 -0.001 0.000 0.194 280 E C 1.631 178.241 176.600 0.017 0.000 0.996 280 E CA 0.324 56.714 56.400 -0.018 0.000 0.869 280 E CB 0.451 30.139 29.700 -0.020 0.000 0.835 280 E HN 0.234 nan 8.360 nan 0.000 0.493 281 I N -0.346 120.231 120.570 0.012 0.000 3.809 281 I HA -0.027 4.142 4.170 -0.001 0.000 0.245 281 I C 1.224 177.422 176.117 0.135 0.000 1.119 281 I CA 0.070 61.443 61.300 0.122 0.000 1.597 281 I CB -0.038 38.045 38.000 0.138 0.000 1.605 281 I HN -0.098 nan 8.210 nan 0.000 0.441 282 N N 0.612 119.299 118.700 -0.021 0.000 2.289 282 N HA -0.242 4.498 4.740 -0.001 0.000 0.184 282 N C 1.516 176.656 175.510 -0.616 0.000 1.016 282 N CA 1.282 54.217 53.050 -0.193 0.000 0.872 282 N CB -0.123 38.313 38.487 -0.084 0.000 0.973 282 N HN 0.420 nan 8.380 nan 0.000 0.433 283 W N 1.950 122.555 121.300 -1.158 0.000 2.388 283 W HA -0.006 4.653 4.660 -0.001 0.000 0.294 283 W C 1.321 177.451 176.519 -0.648 0.000 1.212 283 W CA 0.907 57.398 57.345 -1.424 0.000 1.271 283 W CB -0.141 28.472 29.460 -1.412 0.000 1.126 283 W HN -0.019 nan 8.180 nan 0.000 0.535 284 L N 0.178 121.171 121.223 -0.384 0.000 2.109 284 L HA -0.110 4.229 4.340 -0.001 0.000 0.207 284 L C 2.339 178.971 176.870 -0.397 0.000 1.086 284 L CA 1.621 56.234 54.840 -0.379 0.000 0.760 284 L CB -1.708 40.315 42.059 -0.060 0.000 0.910 284 L HN 0.008 nan 8.230 nan 0.000 0.437 285 N N 1.055 119.503 118.700 -0.420 0.000 2.104 285 N HA -0.220 4.520 4.740 -0.001 0.000 0.190 285 N C 1.781 177.010 175.510 -0.469 0.000 1.024 285 N CA 1.579 54.222 53.050 -0.679 0.000 0.853 285 N CB -0.184 37.626 38.487 -1.128 0.000 1.008 285 N HN 0.316 nan 8.380 nan 0.000 0.424 286 L N 0.964 121.924 121.223 -0.438 0.000 1.976 286 L HA -0.063 4.276 4.340 -0.001 0.000 0.209 286 L C 2.080 178.734 176.870 -0.359 0.000 1.071 286 L CA 1.819 56.470 54.840 -0.315 0.000 0.746 286 L CB -0.818 41.079 42.059 -0.269 0.000 0.890 286 L HN -0.003 nan 8.230 nan 0.000 0.432 287 K N -0.229 119.823 120.400 -0.580 0.000 2.059 287 K HA -0.257 4.062 4.320 -0.001 0.000 0.212 287 K C 2.044 178.421 176.600 -0.372 0.000 1.050 287 K CA 2.476 58.416 56.287 -0.579 0.000 0.927 287 K CB -0.181 31.739 32.500 -0.967 0.000 0.714 287 K HN 0.810 nan 8.250 nan 0.000 0.447 288 Q N -1.696 117.903 119.800 -0.335 0.000 2.317 288 Q HA 0.117 4.456 4.340 -0.001 0.000 0.220 288 Q C 0.997 176.877 176.000 -0.201 0.000 0.873 288 Q CA 0.259 55.922 55.803 -0.234 0.000 0.936 288 Q CB 0.395 29.017 28.738 -0.193 0.000 1.105 288 Q HN 0.076 nan 8.270 nan 0.000 0.520 289 N N 0.026 118.589 118.700 -0.228 0.000 2.382 289 N HA 0.263 5.002 4.740 -0.001 0.000 0.200 289 N C 1.285 176.707 175.510 -0.147 0.000 1.122 289 N CA 0.414 53.343 53.050 -0.201 0.000 0.870 289 N CB 0.784 39.114 38.487 -0.263 0.000 1.176 289 N HN 0.223 nan 8.380 nan 0.000 0.474 290 I N 0.058 120.551 120.570 -0.127 0.000 3.098 290 I HA -0.004 4.165 4.170 -0.001 0.000 0.241 290 I C 1.939 178.081 176.117 0.041 0.000 1.081 290 I CA 0.004 61.294 61.300 -0.016 0.000 1.487 290 I CB -0.192 37.814 38.000 0.009 0.000 1.366 290 I HN -0.114 nan 8.210 nan 0.000 0.463 291 L N 2.820 124.045 121.223 0.004 0.000 2.064 291 L HA -0.168 4.172 4.340 -0.001 0.000 0.216 291 L C -0.719 176.070 176.870 -0.136 0.000 1.077 291 L CA 2.587 57.406 54.840 -0.036 0.000 0.766 291 L CB -1.823 40.184 42.059 -0.087 0.000 0.890 291 L HN 0.103 nan 8.230 nan 0.000 0.435 292 P HA -0.073 nan 4.420 nan 0.000 0.228 292 P C 1.322 178.541 177.300 -0.135 0.000 1.151 292 P CA 1.615 64.634 63.100 -0.136 0.000 0.770 292 P CB -0.350 31.273 31.700 -0.129 0.000 0.786 293 T N -4.251 110.231 114.554 -0.120 0.000 3.037 293 T HA 0.069 4.419 4.350 -0.001 0.000 0.251 293 T C 1.839 176.439 174.700 -0.167 0.000 1.079 293 T CA -0.174 61.866 62.100 -0.100 0.000 1.067 293 T CB -0.444 68.408 68.868 -0.028 0.000 0.948 293 T HN -0.021 nan 8.240 nan 0.000 0.496 294 R N 1.925 122.179 120.500 -0.409 0.000 2.134 294 R HA -0.191 4.148 4.340 -0.001 0.000 0.248 294 R C 1.799 177.868 176.300 -0.386 0.000 1.143 294 R CA 2.297 57.873 56.100 -0.875 0.000 0.957 294 R CB -0.371 29.183 30.300 -1.243 0.000 0.867 294 R HN 0.434 nan 8.270 nan 0.000 0.441 295 E N 0.329 120.399 120.200 -0.217 0.000 2.515 295 E HA -0.152 4.197 4.350 -0.001 0.000 0.201 295 E C 1.456 178.071 176.600 0.025 0.000 1.071 295 E CA 0.648 57.036 56.400 -0.020 0.000 0.880 295 E CB -0.171 29.521 29.700 -0.014 0.000 0.828 295 E HN 0.500 nan 8.360 nan 0.000 0.540 296 R N 0.542 121.020 120.500 -0.037 0.000 2.300 296 R HA 0.227 4.566 4.340 -0.001 0.000 0.199 296 R C 0.813 177.109 176.300 -0.007 0.000 0.920 296 R CA 0.247 56.329 56.100 -0.029 0.000 1.046 296 R CB 0.303 30.574 30.300 -0.048 0.000 0.984 296 R HN 0.025 nan 8.270 nan 0.000 0.493 297 A N 0.117 122.957 122.820 0.033 0.000 2.366 297 A HA 0.162 4.482 4.320 -0.001 0.000 0.249 297 A C 0.987 178.585 177.584 0.023 0.000 1.084 297 A CA -0.157 51.902 52.037 0.036 0.000 0.794 297 A CB 0.868 19.921 19.000 0.088 0.000 1.034 297 A HN 0.089 nan 8.150 nan 0.000 0.491 298 S N -0.838 114.758 115.700 -0.173 0.000 2.439 298 S HA 0.195 4.664 4.470 -0.001 0.000 0.224 298 S C 0.341 174.840 174.600 -0.169 0.000 1.029 298 S CA 0.650 58.626 58.200 -0.374 0.000 0.946 298 S CB -0.317 62.233 63.200 -1.083 0.000 0.797 298 S HN 0.597 nan 8.310 nan 0.000 0.504 299 L N 0.739 121.901 121.223 -0.102 0.000 2.445 299 L HA 0.623 4.962 4.340 -0.001 0.000 0.262 299 L C -2.014 174.880 176.870 0.039 0.000 0.974 299 L CA -0.638 54.243 54.840 0.069 0.000 0.822 299 L CB 1.752 43.933 42.059 0.202 0.000 1.339 299 L HN -0.001 nan 8.230 nan 0.000 0.409 300 I N 4.859 125.396 120.570 -0.054 0.000 2.433 300 I HA 0.402 4.571 4.170 -0.001 0.000 0.292 300 I C -1.206 174.874 176.117 -0.062 0.000 1.001 300 I CA -0.559 60.705 61.300 -0.060 0.000 1.119 300 I CB 1.849 39.705 38.000 -0.240 0.000 1.289 300 I HN 0.328 nan 8.210 nan 0.000 0.438 301 L N 5.857 127.085 121.223 0.008 0.000 2.298 301 L HA 0.489 4.829 4.340 -0.001 0.000 0.284 301 L C -0.187 176.699 176.870 0.028 0.000 1.013 301 L CA -0.303 54.519 54.840 -0.029 0.000 0.824 301 L CB 1.377 43.435 42.059 -0.002 0.000 1.221 301 L HN 0.528 nan 8.230 nan 0.000 0.418 302 T N 2.949 117.502 114.554 -0.002 0.000 2.756 302 T HA 0.535 4.884 4.350 -0.001 0.000 0.290 302 T C 0.158 174.892 174.700 0.056 0.000 0.985 302 T CA -0.776 61.346 62.100 0.037 0.000 0.955 302 T CB 1.141 70.011 68.868 0.004 0.000 0.930 302 T HN 0.292 nan 8.240 nan 0.000 0.451 303 K N 1.696 122.167 120.400 0.120 0.000 2.123 303 K HA 0.692 5.011 4.320 -0.001 0.000 0.248 303 K C 0.355 177.042 176.600 0.145 0.000 0.969 303 K CA -0.746 55.637 56.287 0.160 0.000 0.882 303 K CB 1.206 33.861 32.500 0.258 0.000 1.080 303 K HN 0.705 nan 8.250 nan 0.000 0.441 304 S N -0.041 115.744 115.700 0.141 0.000 2.747 304 S HA 0.441 4.911 4.470 -0.001 0.000 0.300 304 S C 1.168 175.859 174.600 0.152 0.000 1.121 304 S CA -0.435 57.822 58.200 0.096 0.000 0.995 304 S CB 1.410 64.654 63.200 0.073 0.000 1.113 304 S HN 0.645 nan 8.310 nan 0.000 0.547 305 A N 0.846 123.713 122.820 0.079 0.000 2.038 305 A HA -0.250 4.069 4.320 -0.001 0.000 0.224 305 A C 1.574 179.315 177.584 0.262 0.000 1.190 305 A CA 2.163 54.268 52.037 0.114 0.000 0.668 305 A CB -1.267 17.763 19.000 0.051 0.000 0.820 305 A HN 0.887 nan 8.150 nan 0.000 0.474 306 N N -1.862 116.964 118.700 0.209 0.000 2.321 306 N HA 0.087 4.826 4.740 -0.001 0.000 0.242 306 N C -0.504 175.161 175.510 0.259 0.000 1.141 306 N CA -0.033 53.149 53.050 0.221 0.000 0.864 306 N CB 0.057 38.640 38.487 0.159 0.000 1.100 306 N HN 0.524 nan 8.380 nan 0.000 0.510 307 H N -1.898 117.293 119.070 0.201 0.000 3.211 307 H HA -0.174 4.381 4.556 -0.001 0.000 0.240 307 H C 0.154 175.545 175.328 0.105 0.000 1.148 307 H CA 0.759 56.844 56.048 0.061 0.000 1.160 307 H CB -1.503 28.181 29.762 -0.129 0.000 1.232 307 H HN 0.330 nan 8.280 nan 0.000 0.321 308 A N 1.208 124.148 122.820 0.200 0.000 2.409 308 A HA 0.453 4.772 4.320 -0.001 0.000 0.262 308 A C 0.742 178.401 177.584 0.124 0.000 1.113 308 A CA -0.136 51.994 52.037 0.155 0.000 0.790 308 A CB 0.738 19.812 19.000 0.124 0.000 1.046 308 A HN 0.112 nan 8.150 nan 0.000 0.496 309 V N 3.886 123.853 119.914 0.087 0.000 2.439 309 V HA 0.084 4.203 4.120 -0.001 0.000 0.271 309 V C 0.847 176.948 176.094 0.011 0.000 1.040 309 V CA 0.220 62.533 62.300 0.021 0.000 1.002 309 V CB 0.609 32.375 31.823 -0.094 0.000 1.000 309 V HN 1.049 nan 8.190 nan 0.000 0.477 310 E N 3.296 123.506 120.200 0.017 0.000 2.251 310 E HA 0.151 4.501 4.350 -0.001 0.000 0.194 310 E C 0.315 176.916 176.600 0.002 0.000 0.964 310 E CA 0.454 56.867 56.400 0.022 0.000 0.868 310 E CB 0.793 30.513 29.700 0.032 0.000 0.828 310 E HN 0.782 nan 8.360 nan 0.000 0.481 311 E N -0.036 120.142 120.200 -0.036 0.000 2.393 311 E HA 0.562 4.911 4.350 -0.001 0.000 0.273 311 E C -1.176 175.335 176.600 -0.149 0.000 0.918 311 E CA -0.712 55.657 56.400 -0.053 0.000 0.773 311 E CB 3.190 32.869 29.700 -0.036 0.000 1.275 311 E HN -0.247 nan 8.360 nan 0.000 0.451 312 V N 1.704 121.526 119.914 -0.154 0.000 2.612 312 V HA 0.378 4.497 4.120 -0.001 0.000 0.301 312 V C -0.923 175.146 176.094 -0.042 0.000 1.059 312 V CA -0.569 61.558 62.300 -0.288 0.000 0.886 312 V CB 1.961 33.230 31.823 -0.924 0.000 1.007 312 V HN 0.524 nan 8.190 nan 0.000 0.426 313 R N 3.462 123.921 120.500 -0.069 0.000 2.437 313 R HA 0.751 5.091 4.340 -0.001 0.000 0.310 313 R C -1.433 174.968 176.300 0.169 0.000 0.955 313 R CA -0.703 55.401 56.100 0.006 0.000 0.851 313 R CB 1.951 32.074 30.300 -0.295 0.000 1.161 313 R HN 0.554 nan 8.270 nan 0.000 0.446 314 L N 2.855 124.308 121.223 0.382 0.000 2.362 314 L HA 0.506 4.845 4.340 -0.001 0.000 0.275 314 L C -0.476 176.638 176.870 0.407 0.000 0.998 314 L CA -0.602 54.497 54.840 0.432 0.000 0.820 314 L CB 1.414 43.773 42.059 0.500 0.000 1.270 314 L HN 0.452 nan 8.230 nan 0.000 0.415 315 R N 3.751 124.402 120.500 0.252 0.000 2.583 315 R HA 0.071 4.410 4.340 -0.001 0.000 0.274 315 R C -0.039 176.285 176.300 0.040 0.000 0.998 315 R CA 0.255 56.304 56.100 -0.084 0.000 1.081 315 R CB 0.146 30.331 30.300 -0.192 0.000 0.940 315 R HN 0.709 nan 8.270 nan 0.000 0.413 316 K N 0.000 120.380 120.400 -0.033 0.000 2.780 316 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 316 K CA 0.000 56.302 56.287 0.025 0.000 0.838 316 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 316 K HN 0.000 nan 8.250 nan 0.000 0.543