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 2wod_1_A DATA FIRST_RESID 3 DATA SEQUENCE GPSVHDRALG AFLGLAVGDA LGATVEFMTK GEIAQQYGIH RKMTGGGWLR DATA SEQUENCE LKPGQITDDT EMSLALGRSL AAKGTLDVAD ICEEFALWLK SRPVDVGNTC DATA SEQUENCE RRGIRRYMHE GTTTAPYSEG DAGNGAAMRC LPAALATLGH PADLEPWVLA DATA SEQUENCE QARITHNHPL SDAACLTLGR MVHHLIGGRG MKACREEANR LVHQHRDFHF DATA SEQUENCE EPYKGQSSAY IVDTMQTVLH YYFVTDTFKS CLIQTVNQGG DADTTGALAG DATA SEQUENCE MLAGATYGVD DIPSGWLSKL DMKVEREIRR QVDALLALAG L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 3 G C 0.000 174.919 174.900 0.032 0.000 0.946 3 G CA 0.000 45.120 45.100 0.033 0.000 0.502 4 P HA 0.505 nan 4.420 nan 0.000 0.274 4 P C 0.116 177.434 177.300 0.030 0.000 1.246 4 P CA 0.160 63.280 63.100 0.035 0.000 0.795 4 P CB 1.289 33.013 31.700 0.040 0.000 1.006 5 S N -0.550 115.171 115.700 0.035 0.000 2.645 5 S HA 0.150 4.619 4.470 -0.001 0.000 0.266 5 S C 1.306 175.931 174.600 0.041 0.000 1.258 5 S CA -0.682 57.542 58.200 0.040 0.000 0.990 5 S CB 0.554 63.788 63.200 0.056 0.000 0.967 5 S HN 0.200 nan 8.310 nan 0.000 0.556 6 V N 1.348 121.287 119.914 0.042 0.000 2.343 6 V HA -0.184 3.935 4.120 -0.001 0.000 0.247 6 V C 2.557 178.683 176.094 0.052 0.000 1.051 6 V CA 2.230 64.549 62.300 0.032 0.000 1.036 6 V CB -1.395 30.441 31.823 0.022 0.000 0.654 6 V HN 1.032 nan 8.190 nan 0.000 0.451 7 H N 0.084 119.155 119.070 0.001 0.000 2.321 7 H HA -0.172 4.384 4.556 -0.001 0.000 0.300 7 H C 2.128 177.462 175.328 0.011 0.000 1.087 7 H CA 1.974 58.026 56.048 0.007 0.000 1.319 7 H CB 0.054 29.818 29.762 0.004 0.000 1.379 7 H HN 0.403 nan 8.280 nan 0.000 0.501 8 D N 0.371 120.786 120.400 0.026 0.000 2.117 8 D HA -0.111 4.528 4.640 -0.001 0.000 0.197 8 D C 2.501 178.771 176.300 -0.049 0.000 0.987 8 D CA 0.774 54.760 54.000 -0.023 0.000 0.829 8 D CB -0.216 40.603 40.800 0.032 0.000 0.961 8 D HN 0.388 nan 8.370 nan 0.000 0.460 9 R N 0.438 120.924 120.500 -0.024 0.000 2.092 9 R HA 0.009 4.349 4.340 -0.001 0.000 0.231 9 R C 2.223 178.502 176.300 -0.035 0.000 1.119 9 R CA 1.143 57.231 56.100 -0.020 0.000 0.970 9 R CB -0.147 30.147 30.300 -0.010 0.000 0.864 9 R HN 0.096 nan 8.270 nan 0.000 0.440 10 A N 0.960 123.745 122.820 -0.059 0.000 1.897 10 A HA -0.111 4.208 4.320 -0.001 0.000 0.215 10 A C 2.014 179.569 177.584 -0.048 0.000 1.181 10 A CA 0.776 52.784 52.037 -0.049 0.000 0.620 10 A CB -0.374 18.600 19.000 -0.044 0.000 0.821 10 A HN 0.169 nan 8.150 nan 0.000 0.443 11 L N 0.243 121.366 121.223 -0.166 0.000 2.083 11 L HA -0.037 4.303 4.340 -0.001 0.000 0.209 11 L C 2.418 179.263 176.870 -0.041 0.000 1.083 11 L CA 2.121 56.873 54.840 -0.147 0.000 0.752 11 L CB -1.050 40.830 42.059 -0.300 0.000 0.899 11 L HN 0.334 nan 8.230 nan 0.000 0.433 12 G N -1.571 107.202 108.800 -0.046 0.000 2.422 12 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.218 12 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.218 12 G C 1.588 176.518 174.900 0.049 0.000 1.140 12 G CA 0.693 45.780 45.100 -0.023 0.000 0.775 12 G HN 0.582 nan 8.290 nan 0.000 0.545 13 A N 0.058 122.906 122.820 0.046 0.000 1.898 13 A HA 0.186 4.505 4.320 -0.001 0.000 0.216 13 A C 2.171 179.800 177.584 0.075 0.000 1.181 13 A CA 1.097 53.158 52.037 0.040 0.000 0.620 13 A CB -0.450 18.535 19.000 -0.026 0.000 0.819 13 A HN 0.375 nan 8.150 nan 0.000 0.442 14 F N -0.083 119.850 119.950 -0.028 0.000 2.118 14 F HA -0.009 4.517 4.527 -0.001 0.000 0.293 14 F C 2.056 177.847 175.800 -0.015 0.000 1.102 14 F CA 0.844 58.828 58.000 -0.026 0.000 1.247 14 F CB 0.015 38.993 39.000 -0.037 0.000 1.017 14 F HN 0.090 nan 8.300 nan 0.000 0.475 15 L N -0.309 121.045 121.223 0.219 0.000 2.131 15 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 15 L C 2.673 179.620 176.870 0.129 0.000 1.092 15 L CA 1.261 56.163 54.840 0.104 0.000 0.759 15 L CB -1.259 40.808 42.059 0.014 0.000 0.903 15 L HN 0.269 nan 8.230 nan 0.000 0.435 16 G N 0.064 108.958 108.800 0.156 0.000 2.408 16 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.217 16 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.217 16 G C 1.608 176.660 174.900 0.253 0.000 1.150 16 G CA 0.631 45.914 45.100 0.305 0.000 0.776 16 G HN 0.257 nan 8.290 nan 0.000 0.542 17 L N 1.194 122.508 121.223 0.153 0.000 1.989 17 L HA 0.043 4.382 4.340 -0.001 0.000 0.211 17 L C 3.086 180.000 176.870 0.074 0.000 1.071 17 L CA 2.450 57.333 54.840 0.071 0.000 0.749 17 L CB -0.503 41.569 42.059 0.020 0.000 0.890 17 L HN 0.210 nan 8.230 nan 0.000 0.431 18 A N -1.010 121.883 122.820 0.121 0.000 1.902 18 A HA -0.159 4.160 4.320 -0.001 0.000 0.217 18 A C 2.262 179.869 177.584 0.039 0.000 1.181 18 A CA 2.041 54.125 52.037 0.078 0.000 0.623 18 A CB -1.199 17.850 19.000 0.081 0.000 0.818 18 A HN 0.350 nan 8.150 nan 0.000 0.443 19 V N -0.152 119.807 119.914 0.075 0.000 2.343 19 V HA -0.192 3.927 4.120 -0.001 0.000 0.247 19 V C 2.789 178.841 176.094 -0.070 0.000 1.051 19 V CA 2.040 64.369 62.300 0.048 0.000 1.036 19 V CB -1.345 30.603 31.823 0.209 0.000 0.654 19 V HN 0.627 nan 8.190 nan 0.000 0.451 20 G N -0.498 108.283 108.800 -0.031 0.000 2.402 20 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.216 20 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.216 20 G C 1.343 176.162 174.900 -0.134 0.000 1.162 20 G CA 1.042 46.061 45.100 -0.135 0.000 0.777 20 G HN 0.549 nan 8.290 nan 0.000 0.539 21 D N 1.207 121.557 120.400 -0.082 0.000 2.092 21 D HA -0.067 4.572 4.640 -0.001 0.000 0.193 21 D C 2.720 178.966 176.300 -0.090 0.000 0.994 21 D CA 1.661 55.615 54.000 -0.075 0.000 0.828 21 D CB -0.531 40.243 40.800 -0.043 0.000 0.963 21 D HN 0.225 nan 8.370 nan 0.000 0.450 22 A N -0.024 122.743 122.820 -0.088 0.000 1.908 22 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 22 A C 2.271 179.776 177.584 -0.132 0.000 1.181 22 A CA 1.550 53.529 52.037 -0.096 0.000 0.627 22 A CB -0.942 18.010 19.000 -0.079 0.000 0.818 22 A HN 0.385 nan 8.150 nan 0.000 0.445 23 L N -0.121 120.975 121.223 -0.212 0.000 2.056 23 L HA 0.024 4.364 4.340 -0.001 0.000 0.207 23 L C 2.406 179.232 176.870 -0.073 0.000 1.078 23 L CA 2.198 56.889 54.840 -0.248 0.000 0.749 23 L CB -0.910 40.808 42.059 -0.568 0.000 0.901 23 L HN 0.307 nan 8.230 nan 0.000 0.433 24 G N -1.530 107.192 108.800 -0.131 0.000 2.484 24 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.218 24 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.218 24 G C 1.619 176.434 174.900 -0.140 0.000 1.130 24 G CA 0.630 45.657 45.100 -0.121 0.000 0.784 24 G HN 0.596 nan 8.290 nan 0.000 0.543 25 A N 0.870 123.614 122.820 -0.127 0.000 1.892 25 A HA -0.124 4.196 4.320 -0.001 0.000 0.218 25 A C 2.530 180.029 177.584 -0.142 0.000 1.188 25 A CA 2.582 54.541 52.037 -0.129 0.000 0.631 25 A CB -1.136 17.794 19.000 -0.116 0.000 0.822 25 A HN 0.294 nan 8.150 nan 0.000 0.447 26 T N -0.321 114.123 114.554 -0.183 0.000 2.699 26 T HA -0.140 4.209 4.350 -0.001 0.000 0.268 26 T C 1.636 176.180 174.700 -0.260 0.000 1.036 26 T CA 2.132 64.079 62.100 -0.256 0.000 1.147 26 T CB -0.599 67.983 68.868 -0.476 0.000 0.862 26 T HN 0.858 nan 8.240 nan 0.000 0.446 27 V N -0.482 119.228 119.914 -0.339 0.000 3.444 27 V HA 0.394 4.513 4.120 -0.001 0.000 0.308 27 V C 0.338 176.375 176.094 -0.095 0.000 1.371 27 V CA -0.456 61.717 62.300 -0.211 0.000 1.141 27 V CB -0.498 31.142 31.823 -0.306 0.000 1.037 27 V HN 0.153 nan 8.190 nan 0.000 0.433 28 E N 1.540 121.665 120.200 -0.125 0.000 2.694 28 E HA 0.025 4.374 4.350 -0.001 0.000 0.250 28 E C 0.299 176.775 176.600 -0.207 0.000 0.963 28 E CA 0.424 56.667 56.400 -0.262 0.000 0.949 28 E CB -0.877 28.655 29.700 -0.281 0.000 0.911 28 E HN 0.522 nan 8.360 nan 0.000 0.500 29 F N 0.572 120.539 119.950 0.028 0.000 2.914 29 F HA -0.344 4.182 4.527 -0.001 0.000 0.304 29 F C 0.536 176.332 175.800 -0.008 0.000 0.712 29 F CA -0.069 57.913 58.000 -0.029 0.000 1.211 29 F CB -1.657 37.256 39.000 -0.145 0.000 1.515 29 F HN 0.432 nan 8.300 nan 0.000 0.350 30 M N 0.790 120.481 119.600 0.150 0.000 2.288 30 M HA 0.324 4.803 4.480 -0.001 0.000 0.334 30 M C 0.956 177.316 176.300 0.101 0.000 1.150 30 M CA -0.030 55.339 55.300 0.115 0.000 1.118 30 M CB 1.242 33.904 32.600 0.105 0.000 1.501 30 M HN 0.172 nan 8.290 nan 0.000 0.462 31 T N -1.637 112.969 114.554 0.086 0.000 2.882 31 T HA 0.220 4.569 4.350 -0.001 0.000 0.287 31 T C 0.898 175.649 174.700 0.084 0.000 1.014 31 T CA -0.743 61.405 62.100 0.079 0.000 1.049 31 T CB 1.323 70.228 68.868 0.061 0.000 1.001 31 T HN 0.832 nan 8.240 nan 0.000 0.525 32 K N 1.423 121.877 120.400 0.090 0.000 2.044 32 K HA -0.124 4.195 4.320 -0.001 0.000 0.210 32 K C 2.362 179.016 176.600 0.090 0.000 1.049 32 K CA 1.983 58.329 56.287 0.098 0.000 0.927 32 K CB -1.167 31.402 32.500 0.115 0.000 0.713 32 K HN 0.821 nan 8.250 nan 0.000 0.443 33 G N 0.477 109.323 108.800 0.076 0.000 2.422 33 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.218 33 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.218 33 G C 1.168 176.105 174.900 0.062 0.000 1.146 33 G CA 0.992 46.131 45.100 0.064 0.000 0.769 33 G HN 0.475 nan 8.290 nan 0.000 0.547 34 E N -0.152 120.086 120.200 0.065 0.000 2.106 34 E HA -0.030 4.319 4.350 -0.001 0.000 0.192 34 E C 2.489 179.144 176.600 0.091 0.000 0.984 34 E CA 0.471 56.908 56.400 0.062 0.000 0.806 34 E CB -0.109 29.629 29.700 0.063 0.000 0.750 34 E HN 0.503 nan 8.360 nan 0.000 0.458 35 I N 0.866 121.517 120.570 0.135 0.000 2.179 35 I HA -0.262 3.908 4.170 -0.001 0.000 0.242 35 I C 2.520 178.771 176.117 0.222 0.000 1.088 35 I CA 0.921 62.362 61.300 0.235 0.000 1.357 35 I CB -0.322 37.779 38.000 0.169 0.000 1.051 35 I HN 0.098 nan 8.210 nan 0.000 0.409 36 A N 0.116 123.019 122.820 0.138 0.000 1.902 36 A HA -0.292 4.027 4.320 -0.001 0.000 0.217 36 A C 2.326 179.956 177.584 0.076 0.000 1.181 36 A CA 1.878 53.982 52.037 0.111 0.000 0.623 36 A CB -0.754 18.297 19.000 0.086 0.000 0.818 36 A HN 0.504 nan 8.150 nan 0.000 0.443 37 Q N -1.343 118.486 119.800 0.048 0.000 2.061 37 Q HA -0.233 4.106 4.340 -0.001 0.000 0.204 37 Q C 2.064 178.036 176.000 -0.046 0.000 0.984 37 Q CA 1.764 57.571 55.803 0.007 0.000 0.846 37 Q CB -0.080 28.659 28.738 0.003 0.000 0.902 37 Q HN 0.621 nan 8.270 nan 0.000 0.421 38 Q N -1.461 118.274 119.800 -0.109 0.000 2.302 38 Q HA -0.033 4.306 4.340 -0.001 0.000 0.202 38 Q C 0.874 176.578 176.000 -0.494 0.000 0.936 38 Q CA 1.018 56.608 55.803 -0.355 0.000 0.886 38 Q CB 0.414 28.812 28.738 -0.567 0.000 0.986 38 Q HN 0.519 nan 8.270 nan 0.000 0.487 39 Y N -1.581 118.745 120.300 0.044 0.000 2.452 39 Y HA 0.319 4.868 4.550 -0.001 0.000 0.262 39 Y C 1.666 177.606 175.900 0.065 0.000 1.089 39 Y CA 0.347 58.486 58.100 0.066 0.000 1.262 39 Y CB 0.653 39.171 38.460 0.098 0.000 1.236 39 Y HN 0.165 nan 8.280 nan 0.000 0.512 40 G N 1.651 110.560 108.800 0.182 0.000 5.356 40 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.309 40 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.309 40 G C -0.018 174.970 174.900 0.147 0.000 1.451 40 G CA 0.387 45.567 45.100 0.133 0.000 0.978 40 G HN 0.154 nan 8.290 nan 0.000 0.771 41 I N 0.933 121.596 120.570 0.155 0.000 2.497 41 I HA 0.357 4.526 4.170 -0.001 0.000 0.284 41 I C -0.298 175.900 176.117 0.135 0.000 1.060 41 I CA -0.914 60.463 61.300 0.128 0.000 1.071 41 I CB 1.968 40.016 38.000 0.079 0.000 1.216 41 I HN 0.501 nan 8.210 nan 0.000 0.442 42 H N 6.582 125.652 119.070 0.000 0.000 2.955 42 H HA 0.277 4.833 4.556 -0.001 0.000 0.290 42 H C 0.169 175.458 175.328 -0.066 0.000 1.047 42 H CA 0.484 56.448 56.048 -0.139 0.000 1.484 42 H CB 0.532 30.074 29.762 -0.367 0.000 1.501 42 H HN 0.483 nan 8.280 nan 0.000 0.521 43 R N 2.924 123.181 120.500 -0.405 0.000 2.519 43 R HA 0.246 4.585 4.340 -0.001 0.000 0.375 43 R C -0.365 175.946 176.300 0.017 0.000 0.926 43 R CA -0.407 55.617 56.100 -0.125 0.000 1.166 43 R CB 0.749 31.088 30.300 0.065 0.000 1.626 43 R HN 0.309 nan 8.270 nan 0.000 0.529 44 K N 0.493 120.746 120.400 -0.246 0.000 2.443 44 K HA 0.420 4.739 4.320 -0.001 0.000 0.251 44 K C -0.431 176.116 176.600 -0.088 0.000 0.972 44 K CA -0.798 55.497 56.287 0.014 0.000 0.833 44 K CB 1.493 34.032 32.500 0.064 0.000 1.317 44 K HN -0.107 nan 8.250 nan 0.000 0.441 45 M N 2.843 122.457 119.600 0.023 0.000 3.213 45 M HA 0.073 4.553 4.480 -0.001 0.000 0.275 45 M C 0.571 176.895 176.300 0.040 0.000 1.424 45 M CA 0.198 55.495 55.300 -0.005 0.000 1.561 45 M CB -0.895 31.715 32.600 0.017 0.000 1.109 45 M HN 0.606 nan 8.290 nan 0.000 0.552 46 T N -2.554 112.042 114.554 0.069 0.000 3.086 46 T HA 0.376 4.726 4.350 -0.001 0.000 0.250 46 T C 1.212 175.939 174.700 0.044 0.000 1.074 46 T CA 0.243 62.387 62.100 0.074 0.000 0.988 46 T CB 0.140 69.079 68.868 0.118 0.000 0.988 46 T HN 0.740 nan 8.240 nan 0.000 0.530 47 G N 1.482 110.292 108.800 0.016 0.000 2.582 47 G HA2 0.169 4.129 3.960 -0.001 0.000 0.288 47 G HA3 0.169 4.129 3.960 -0.001 0.000 0.288 47 G C 0.692 175.581 174.900 -0.018 0.000 1.247 47 G CA 0.297 45.389 45.100 -0.014 0.000 0.972 47 G HN 1.813 nan 8.290 nan 0.000 0.557 48 G N -1.593 107.195 108.800 -0.020 0.000 2.512 48 G HA2 0.436 4.395 3.960 -0.001 0.000 0.254 48 G HA3 0.436 4.395 3.960 -0.001 0.000 0.254 48 G C 1.289 176.171 174.900 -0.030 0.000 1.199 48 G CA 1.500 46.597 45.100 -0.004 0.000 0.941 48 G HN 3.344 nan 8.290 nan 0.000 0.569 49 G N -1.928 106.883 108.800 0.019 0.000 2.741 49 G HA2 0.067 4.027 3.960 -0.001 0.000 0.222 49 G HA3 0.067 4.027 3.960 -0.001 0.000 0.222 49 G C 0.970 175.926 174.900 0.094 0.000 1.364 49 G CA 1.255 46.387 45.100 0.053 0.000 0.866 49 G HN 2.507 nan 8.290 nan 0.000 0.555 50 W N -0.575 120.736 121.300 0.018 0.000 2.392 50 W HA 0.109 4.768 4.660 -0.000 0.000 0.279 50 W C 1.589 178.132 176.519 0.039 0.000 1.225 50 W CA 1.396 58.772 57.345 0.051 0.000 1.233 50 W CB -0.721 28.809 29.460 0.117 0.000 1.122 50 W HN 0.384 nan 8.180 nan 0.000 0.561 51 L N 1.344 122.121 121.223 -0.744 0.000 2.558 51 L HA 0.141 4.480 4.340 -0.001 0.000 0.225 51 L C 1.078 177.758 176.870 -0.316 0.000 1.128 51 L CA 0.353 54.755 54.840 -0.731 0.000 0.868 51 L CB -0.507 41.056 42.059 -0.827 0.000 1.006 51 L HN -0.130 nan 8.230 nan 0.000 0.454 52 R N 0.509 120.899 120.500 -0.183 0.000 3.336 52 R HA -0.161 4.178 4.340 -0.001 0.000 0.260 52 R C -0.366 175.876 176.300 -0.098 0.000 1.032 52 R CA 0.301 56.345 56.100 -0.093 0.000 0.693 52 R CB -2.507 27.757 30.300 -0.061 0.000 1.134 52 R HN 0.328 nan 8.270 nan 0.000 0.433 53 L N 0.888 122.043 121.223 -0.114 0.000 2.453 53 L HA 0.209 4.549 4.340 -0.001 0.000 0.261 53 L C 1.083 177.920 176.870 -0.055 0.000 1.179 53 L CA -0.211 54.571 54.840 -0.096 0.000 0.813 53 L CB 0.496 42.487 42.059 -0.113 0.000 1.110 53 L HN 0.054 nan 8.230 nan 0.000 0.466 54 K N 1.865 122.240 120.400 -0.043 0.000 2.202 54 K HA 0.205 4.524 4.320 -0.001 0.000 0.264 54 K C -2.305 174.285 176.600 -0.018 0.000 1.010 54 K CA -1.370 54.903 56.287 -0.023 0.000 0.940 54 K CB 0.170 32.659 32.500 -0.017 0.000 0.983 54 K HN 0.251 nan 8.250 nan 0.000 0.475 55 P HA -0.103 nan 4.420 nan 0.000 0.258 55 P C 0.438 177.737 177.300 -0.001 0.000 1.172 55 P CA 1.218 64.321 63.100 0.005 0.000 0.762 55 P CB 0.294 32.005 31.700 0.019 0.000 0.764 56 G N 1.966 110.759 108.800 -0.012 0.000 2.179 56 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.260 56 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.260 56 G C 0.311 175.199 174.900 -0.020 0.000 0.977 56 G CA 0.058 45.149 45.100 -0.014 0.000 0.641 56 G HN 0.656 nan 8.290 nan 0.000 0.533 57 Q N 0.574 120.359 119.800 -0.025 0.000 2.361 57 Q HA 0.448 4.787 4.340 -0.001 0.000 0.276 57 Q C 0.846 176.826 176.000 -0.034 0.000 1.022 57 Q CA -0.117 55.670 55.803 -0.027 0.000 0.898 57 Q CB 0.272 28.989 28.738 -0.035 0.000 1.246 57 Q HN 0.793 nan 8.270 nan 0.000 0.410 58 I N 0.135 120.693 120.570 -0.020 0.000 3.062 58 I HA 0.623 4.793 4.170 -0.001 0.000 0.316 58 I C 0.293 176.406 176.117 -0.007 0.000 1.041 58 I CA -0.538 60.752 61.300 -0.017 0.000 1.069 58 I CB 1.447 39.447 38.000 -0.001 0.000 1.300 58 I HN 0.714 nan 8.210 nan 0.000 0.518 59 T N -1.786 112.767 114.554 -0.001 0.000 2.735 59 T HA 0.316 4.666 4.350 -0.001 0.000 0.262 59 T C 0.730 175.469 174.700 0.066 0.000 0.955 59 T CA 0.226 62.343 62.100 0.028 0.000 1.022 59 T CB 0.420 69.293 68.868 0.008 0.000 1.455 59 T HN 0.762 nan 8.240 nan 0.000 0.583 60 D N 0.144 120.621 120.400 0.129 0.000 2.228 60 D HA -0.168 4.471 4.640 -0.001 0.000 0.203 60 D C 1.055 177.285 176.300 -0.117 0.000 0.988 60 D CA 1.374 55.441 54.000 0.110 0.000 0.864 60 D CB -0.822 40.154 40.800 0.293 0.000 0.928 60 D HN 0.614 nan 8.370 nan 0.000 0.469 61 D N 0.220 120.580 120.400 -0.065 0.000 2.092 61 D HA -0.130 4.509 4.640 -0.001 0.000 0.193 61 D C 1.985 178.217 176.300 -0.113 0.000 0.994 61 D CA 2.634 56.574 54.000 -0.100 0.000 0.828 61 D CB -0.280 40.482 40.800 -0.064 0.000 0.963 61 D HN 0.250 nan 8.370 nan 0.000 0.450 62 T N 0.040 114.560 114.554 -0.058 0.000 2.896 62 T HA -0.037 4.312 4.350 -0.001 0.000 0.263 62 T C 1.663 176.339 174.700 -0.041 0.000 1.050 62 T CA 0.744 62.843 62.100 -0.001 0.000 1.140 62 T CB -0.156 68.734 68.868 0.035 0.000 0.877 62 T HN 0.203 nan 8.240 nan 0.000 0.457 63 E N 1.135 121.266 120.200 -0.116 0.000 2.047 63 E HA -0.014 4.335 4.350 -0.001 0.000 0.191 63 E C 2.253 178.566 176.600 -0.477 0.000 0.987 63 E CA 0.938 57.216 56.400 -0.203 0.000 0.799 63 E CB -0.209 29.445 29.700 -0.077 0.000 0.752 63 E HN 0.451 nan 8.360 nan 0.000 0.449 64 M N 0.561 119.715 119.600 -0.742 0.000 2.159 64 M HA -0.143 4.337 4.480 -0.001 0.000 0.263 64 M C 2.439 178.567 176.300 -0.287 0.000 1.063 64 M CA 0.986 55.815 55.300 -0.784 0.000 1.110 64 M CB -0.217 31.812 32.600 -0.951 0.000 1.374 64 M HN -0.006 nan 8.290 nan 0.000 0.411 65 S N 1.101 116.697 115.700 -0.174 0.000 2.359 65 S HA -0.088 4.381 4.470 -0.001 0.000 0.224 65 S C 1.869 176.551 174.600 0.136 0.000 1.035 65 S CA 1.178 59.364 58.200 -0.025 0.000 1.018 65 S CB -0.370 62.814 63.200 -0.027 0.000 0.876 65 S HN 0.404 nan 8.310 nan 0.000 0.448 66 L N 0.973 122.275 121.223 0.132 0.000 2.141 66 L HA -0.088 4.252 4.340 -0.001 0.000 0.209 66 L C 2.736 179.658 176.870 0.088 0.000 1.094 66 L CA 0.953 55.873 54.840 0.133 0.000 0.763 66 L CB -0.682 41.405 42.059 0.045 0.000 0.908 66 L HN 0.306 nan 8.230 nan 0.000 0.437 67 A N 0.381 123.235 122.820 0.056 0.000 1.865 67 A HA -0.253 4.066 4.320 -0.001 0.000 0.217 67 A C 2.219 179.884 177.584 0.134 0.000 1.191 67 A CA 1.964 54.081 52.037 0.134 0.000 0.623 67 A CB -0.772 18.369 19.000 0.234 0.000 0.826 67 A HN 0.334 nan 8.150 nan 0.000 0.444 68 L N 0.119 121.466 121.223 0.208 0.000 2.046 68 L HA -0.016 4.323 4.340 -0.001 0.000 0.208 68 L C 2.325 179.218 176.870 0.038 0.000 1.077 68 L CA 2.527 57.417 54.840 0.083 0.000 0.747 68 L CB -1.106 41.045 42.059 0.153 0.000 0.896 68 L HN 0.278 nan 8.230 nan 0.000 0.432 69 G N -1.100 107.762 108.800 0.104 0.000 2.422 69 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.218 69 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.218 69 G C 1.764 176.710 174.900 0.076 0.000 1.140 69 G CA 0.573 45.749 45.100 0.127 0.000 0.775 69 G HN 0.366 nan 8.290 nan 0.000 0.545 70 R N 0.172 120.705 120.500 0.054 0.000 2.083 70 R HA -0.089 4.250 4.340 -0.001 0.000 0.237 70 R C 2.919 179.218 176.300 -0.002 0.000 1.137 70 R CA 1.622 57.738 56.100 0.026 0.000 0.951 70 R CB -0.406 29.910 30.300 0.028 0.000 0.851 70 R HN 0.412 nan 8.270 nan 0.000 0.434 71 S N 0.548 116.228 115.700 -0.034 0.000 2.345 71 S HA -0.071 4.398 4.470 -0.001 0.000 0.220 71 S C 1.992 176.547 174.600 -0.075 0.000 1.031 71 S CA 0.930 59.083 58.200 -0.080 0.000 0.996 71 S CB -0.194 62.913 63.200 -0.155 0.000 0.882 71 S HN 0.223 nan 8.310 nan 0.000 0.445 72 L N 1.097 122.281 121.223 -0.065 0.000 2.043 72 L HA -0.163 4.176 4.340 -0.001 0.000 0.212 72 L C 2.874 179.755 176.870 0.018 0.000 1.075 72 L CA 1.501 56.317 54.840 -0.040 0.000 0.752 72 L CB -0.595 41.477 42.059 0.023 0.000 0.891 72 L HN 0.455 nan 8.230 nan 0.000 0.432 73 A N -0.669 122.170 122.820 0.033 0.000 1.929 73 A HA -0.010 4.310 4.320 -0.001 0.000 0.216 73 A C 2.464 180.061 177.584 0.022 0.000 1.176 73 A CA 1.341 53.404 52.037 0.043 0.000 0.628 73 A CB -0.530 18.498 19.000 0.047 0.000 0.816 73 A HN 0.388 nan 8.150 nan 0.000 0.444 74 A N -0.505 122.317 122.820 0.003 0.000 1.897 74 A HA -0.026 4.293 4.320 -0.001 0.000 0.215 74 A C 1.908 179.485 177.584 -0.012 0.000 1.181 74 A CA 1.452 53.486 52.037 -0.005 0.000 0.620 74 A CB -0.149 18.844 19.000 -0.012 0.000 0.821 74 A HN 0.264 nan 8.150 nan 0.000 0.443 75 K N -1.275 119.108 120.400 -0.028 0.000 2.367 75 K HA 0.171 4.491 4.320 -0.001 0.000 0.194 75 K C 1.159 177.746 176.600 -0.021 0.000 1.027 75 K CA 0.686 56.950 56.287 -0.038 0.000 1.075 75 K CB -0.174 32.280 32.500 -0.078 0.000 0.845 75 K HN 0.709 nan 8.250 nan 0.000 0.529 76 G N 1.870 110.674 108.800 0.006 0.000 2.187 76 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.261 76 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.261 76 G C 0.283 175.231 174.900 0.080 0.000 1.000 76 G CA 1.417 46.547 45.100 0.050 0.000 0.718 76 G HN 0.487 nan 8.290 nan 0.000 0.519 77 T N -2.294 112.254 114.554 -0.011 0.000 2.663 77 T HA 0.466 4.815 4.350 -0.001 0.000 0.305 77 T C -1.322 173.064 174.700 -0.524 0.000 1.660 77 T CA 0.026 62.062 62.100 -0.106 0.000 0.976 77 T CB 0.617 69.478 68.868 -0.012 0.000 1.705 77 T HN 1.227 nan 8.240 nan 0.000 0.494 78 L N 3.257 123.854 121.223 -1.044 0.000 2.385 78 L HA 0.546 4.886 4.340 -0.001 0.000 0.281 78 L C -0.588 175.990 176.870 -0.487 0.000 1.106 78 L CA 0.325 54.557 54.840 -1.012 0.000 0.856 78 L CB 0.269 41.396 42.059 -1.553 0.000 1.186 78 L HN 0.574 nan 8.230 nan 0.000 0.453 79 D N 3.883 124.068 120.400 -0.358 0.000 2.438 79 D HA 0.146 4.785 4.640 -0.001 0.000 0.257 79 D C 0.913 177.067 176.300 -0.243 0.000 1.148 79 D CA -0.317 53.542 54.000 -0.236 0.000 0.902 79 D CB 1.167 41.863 40.800 -0.174 0.000 1.062 79 D HN 0.338 nan 8.370 nan 0.000 0.518 80 V N 2.962 122.739 119.914 -0.227 0.000 2.407 80 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 80 V C 2.532 178.473 176.094 -0.255 0.000 1.055 80 V CA 2.046 64.207 62.300 -0.232 0.000 1.049 80 V CB -0.730 30.997 31.823 -0.160 0.000 0.662 80 V HN 0.596 nan 8.190 nan 0.000 0.455 81 A N 0.160 122.870 122.820 -0.182 0.000 1.933 81 A HA -0.282 4.037 4.320 -0.001 0.000 0.218 81 A C 2.059 179.506 177.584 -0.228 0.000 1.175 81 A CA 2.128 54.067 52.037 -0.164 0.000 0.628 81 A CB -0.604 18.381 19.000 -0.025 0.000 0.814 81 A HN 0.571 nan 8.150 nan 0.000 0.444 82 D N -0.471 119.811 120.400 -0.196 0.000 2.183 82 D HA -0.031 4.609 4.640 -0.001 0.000 0.203 82 D C 1.671 177.802 176.300 -0.282 0.000 0.969 82 D CA 0.832 54.723 54.000 -0.182 0.000 0.842 82 D CB -0.186 40.533 40.800 -0.136 0.000 0.957 82 D HN 0.478 nan 8.370 nan 0.000 0.484 83 I N -0.184 120.153 120.570 -0.387 0.000 2.315 83 I HA -0.279 3.891 4.170 -0.001 0.000 0.248 83 I C 2.221 177.837 176.117 -0.834 0.000 1.117 83 I CA 0.469 61.408 61.300 -0.603 0.000 1.404 83 I CB -0.171 37.461 38.000 -0.613 0.000 1.071 83 I HN 0.210 nan 8.210 nan 0.000 0.419 84 C N 0.297 119.168 119.300 -0.716 0.000 2.446 84 C HA -0.109 4.351 4.460 -0.001 0.000 0.277 84 C C 2.751 177.374 174.990 -0.612 0.000 1.275 84 C CA 0.527 59.026 59.018 -0.865 0.000 1.727 84 C CB -0.857 25.948 27.740 -1.559 0.000 2.010 84 C HN 0.467 nan 8.230 nan 0.000 0.486 85 E N 0.915 120.891 120.200 -0.374 0.000 2.110 85 E HA -0.137 4.213 4.350 -0.001 0.000 0.193 85 E C 2.201 178.822 176.600 0.035 0.000 0.988 85 E CA 1.108 57.507 56.400 -0.002 0.000 0.804 85 E CB -0.355 29.368 29.700 0.037 0.000 0.745 85 E HN 0.598 nan 8.360 nan 0.000 0.458 86 E N -0.149 120.018 120.200 -0.055 0.000 2.072 86 E HA -0.121 4.228 4.350 -0.001 0.000 0.191 86 E C 2.020 178.793 176.600 0.288 0.000 0.985 86 E CA 0.529 56.965 56.400 0.059 0.000 0.801 86 E CB -0.332 29.349 29.700 -0.031 0.000 0.750 86 E HN 0.245 nan 8.360 nan 0.000 0.452 87 F N 1.037 121.038 119.950 0.085 0.000 2.134 87 F HA -0.062 4.464 4.527 -0.001 0.000 0.299 87 F C 2.468 178.453 175.800 0.309 0.000 1.097 87 F CA 0.631 58.761 58.000 0.216 0.000 1.264 87 F CB -1.488 37.589 39.000 0.128 0.000 1.001 87 F HN -0.024 nan 8.300 nan 0.000 0.479 88 A N 0.310 123.368 122.820 0.397 0.000 1.902 88 A HA -0.147 4.173 4.320 -0.001 0.000 0.217 88 A C 2.379 180.098 177.584 0.224 0.000 1.181 88 A CA 1.404 53.626 52.037 0.308 0.000 0.623 88 A CB -1.139 18.070 19.000 0.348 0.000 0.818 88 A HN 0.370 nan 8.150 nan 0.000 0.443 89 L N -2.481 118.875 121.223 0.223 0.000 2.083 89 L HA -0.191 4.149 4.340 -0.001 0.000 0.209 89 L C 2.502 179.493 176.870 0.202 0.000 1.083 89 L CA 1.551 56.493 54.840 0.171 0.000 0.752 89 L CB -0.445 41.704 42.059 0.150 0.000 0.899 89 L HN 0.798 nan 8.230 nan 0.000 0.433 90 W N 0.720 122.085 121.300 0.108 0.000 2.379 90 W HA -0.237 4.422 4.660 -0.001 0.000 0.307 90 W C 2.239 178.799 176.519 0.067 0.000 1.200 90 W CA 1.256 58.653 57.345 0.087 0.000 1.297 90 W CB -0.348 29.174 29.460 0.105 0.000 1.140 90 W HN 0.012 nan 8.180 nan 0.000 0.507 91 L N 1.786 122.932 121.223 -0.128 0.000 2.083 91 L HA -0.128 4.212 4.340 -0.001 0.000 0.209 91 L C 2.238 178.955 176.870 -0.255 0.000 1.083 91 L CA 2.046 56.646 54.840 -0.400 0.000 0.752 91 L CB -0.846 41.163 42.059 -0.085 0.000 0.899 91 L HN -0.052 nan 8.230 nan 0.000 0.433 92 K N -0.898 119.444 120.400 -0.096 0.000 2.288 92 K HA -0.041 4.279 4.320 -0.001 0.000 0.201 92 K C 1.884 178.432 176.600 -0.086 0.000 1.048 92 K CA 1.070 57.319 56.287 -0.063 0.000 0.956 92 K CB -0.139 32.358 32.500 -0.004 0.000 0.746 92 K HN 0.533 nan 8.250 nan 0.000 0.461 93 S N 0.738 116.365 115.700 -0.121 0.000 2.660 93 S HA 0.007 4.476 4.470 -0.001 0.000 0.223 93 S C 0.093 174.601 174.600 -0.153 0.000 0.963 93 S CA -0.209 57.928 58.200 -0.104 0.000 0.932 93 S CB -0.317 62.850 63.200 -0.056 0.000 0.775 93 S HN 0.205 nan 8.310 nan 0.000 0.531 94 R N 0.990 121.365 120.500 -0.209 0.000 2.974 94 R HA -0.089 4.251 4.340 -0.001 0.000 0.258 94 R C -2.483 173.696 176.300 -0.202 0.000 0.892 94 R CA 0.494 56.479 56.100 -0.191 0.000 0.664 94 R CB -1.808 28.428 30.300 -0.107 0.000 1.478 94 R HN 0.523 nan 8.270 nan 0.000 0.498 95 P HA 0.046 nan 4.420 nan 0.000 0.274 95 P C 0.682 177.908 177.300 -0.124 0.000 1.246 95 P CA -0.492 62.484 63.100 -0.207 0.000 0.795 95 P CB 0.945 32.466 31.700 -0.298 0.000 1.006 96 V N -0.441 119.436 119.914 -0.062 0.000 2.488 96 V HA -0.049 4.071 4.120 -0.001 0.000 0.246 96 V C 0.403 176.494 176.094 -0.005 0.000 1.046 96 V CA 1.878 64.138 62.300 -0.066 0.000 1.053 96 V CB -0.609 31.134 31.823 -0.133 0.000 0.679 96 V HN 0.583 nan 8.190 nan 0.000 0.458 97 D N -0.915 119.515 120.400 0.051 0.000 2.649 97 D HA 0.480 5.119 4.640 -0.001 0.000 0.249 97 D C -1.266 175.149 176.300 0.192 0.000 1.112 97 D CA -0.014 54.091 54.000 0.176 0.000 0.850 97 D CB 2.088 43.040 40.800 0.254 0.000 1.399 97 D HN 0.046 nan 8.370 nan 0.000 0.503 98 V N 2.932 122.954 119.914 0.181 0.000 2.760 98 V HA 0.816 4.935 4.120 -0.001 0.000 0.309 98 V C 0.285 176.499 176.094 0.200 0.000 1.077 98 V CA -0.377 62.055 62.300 0.220 0.000 0.910 98 V CB 1.771 33.631 31.823 0.061 0.000 1.008 98 V HN 0.592 nan 8.190 nan 0.000 0.424 99 G N 3.905 112.836 108.800 0.219 0.000 2.491 99 G HA2 0.105 4.064 3.960 -0.001 0.000 0.238 99 G HA3 0.105 4.064 3.960 -0.001 0.000 0.238 99 G C 0.714 175.689 174.900 0.126 0.000 1.277 99 G CA -0.108 45.096 45.100 0.173 0.000 0.851 99 G HN 0.835 nan 8.290 nan 0.000 0.573 100 N N 0.932 119.681 118.700 0.082 0.000 2.104 100 N HA -0.130 4.609 4.740 -0.001 0.000 0.190 100 N C 2.385 177.902 175.510 0.011 0.000 1.024 100 N CA 1.859 54.931 53.050 0.037 0.000 0.853 100 N CB -0.164 38.328 38.487 0.007 0.000 1.008 100 N HN 0.510 nan 8.380 nan 0.000 0.424 101 T N 0.741 115.283 114.554 -0.020 0.000 2.857 101 T HA -0.038 4.312 4.350 -0.001 0.000 0.266 101 T C 2.285 176.933 174.700 -0.086 0.000 1.048 101 T CA 0.601 62.608 62.100 -0.156 0.000 1.139 101 T CB -0.326 68.277 68.868 -0.441 0.000 0.874 101 T HN 0.306 nan 8.240 nan 0.000 0.455 102 C N 1.249 120.597 119.300 0.081 0.000 2.413 102 C HA -0.044 4.416 4.460 -0.001 0.000 0.276 102 C C 2.867 177.946 174.990 0.148 0.000 1.236 102 C CA 0.577 59.691 59.018 0.160 0.000 1.735 102 C CB -0.935 26.927 27.740 0.204 0.000 2.031 102 C HN 0.527 nan 8.230 nan 0.000 0.474 103 R N 0.885 121.461 120.500 0.126 0.000 2.080 103 R HA -0.201 4.138 4.340 -0.001 0.000 0.236 103 R C 2.490 178.845 176.300 0.092 0.000 1.137 103 R CA 2.060 58.222 56.100 0.103 0.000 0.943 103 R CB -0.440 29.899 30.300 0.065 0.000 0.846 103 R HN 0.574 nan 8.270 nan 0.000 0.431 104 R N -0.399 120.134 120.500 0.055 0.000 2.080 104 R HA -0.120 4.219 4.340 -0.001 0.000 0.236 104 R C 2.227 178.574 176.300 0.078 0.000 1.137 104 R CA 2.086 58.212 56.100 0.043 0.000 0.943 104 R CB -0.843 29.454 30.300 -0.004 0.000 0.846 104 R HN 0.374 nan 8.270 nan 0.000 0.431 105 G N 0.864 109.714 108.800 0.082 0.000 2.418 105 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.217 105 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.217 105 G C 1.498 176.521 174.900 0.205 0.000 1.158 105 G CA 1.091 46.268 45.100 0.128 0.000 0.771 105 G HN 0.340 nan 8.290 nan 0.000 0.545 106 I N -0.002 120.707 120.570 0.232 0.000 2.315 106 I HA -0.100 4.070 4.170 -0.001 0.000 0.248 106 I C 2.956 179.246 176.117 0.288 0.000 1.117 106 I CA 0.646 62.128 61.300 0.304 0.000 1.404 106 I CB -0.139 38.049 38.000 0.314 0.000 1.071 106 I HN -0.017 nan 8.210 nan 0.000 0.419 107 R N 0.549 121.180 120.500 0.218 0.000 2.081 107 R HA -0.126 4.214 4.340 -0.001 0.000 0.235 107 R C 2.313 178.757 176.300 0.240 0.000 1.131 107 R CA 1.057 57.296 56.100 0.232 0.000 0.960 107 R CB -0.717 29.686 30.300 0.173 0.000 0.856 107 R HN 0.388 nan 8.270 nan 0.000 0.436 108 R N 0.075 120.686 120.500 0.186 0.000 2.083 108 R HA -0.219 4.121 4.340 -0.001 0.000 0.237 108 R C 2.237 178.637 176.300 0.166 0.000 1.137 108 R CA 1.879 58.072 56.100 0.156 0.000 0.951 108 R CB -0.562 29.816 30.300 0.131 0.000 0.851 108 R HN 0.232 nan 8.270 nan 0.000 0.434 109 Y N 0.925 121.282 120.300 0.094 0.000 2.165 109 Y HA -0.209 4.341 4.550 -0.001 0.000 0.286 109 Y C 2.227 178.154 175.900 0.045 0.000 1.155 109 Y CA 2.108 60.249 58.100 0.069 0.000 1.164 109 Y CB -0.329 38.175 38.460 0.074 0.000 0.978 109 Y HN 0.036 nan 8.280 nan 0.000 0.513 110 M N -0.846 118.678 119.600 -0.126 0.000 2.086 110 M HA -0.245 4.234 4.480 -0.001 0.000 0.261 110 M C 1.901 177.978 176.300 -0.371 0.000 1.067 110 M CA 1.863 56.974 55.300 -0.316 0.000 1.116 110 M CB -0.425 32.081 32.600 -0.156 0.000 1.348 110 M HN 0.338 nan 8.290 nan 0.000 0.407 111 H N -0.991 118.021 119.070 -0.097 0.000 2.562 111 H HA 0.104 4.660 4.556 -0.001 0.000 0.267 111 H C 1.038 176.323 175.328 -0.071 0.000 0.959 111 H CA 0.920 56.926 56.048 -0.070 0.000 1.204 111 H CB 0.438 30.182 29.762 -0.030 0.000 1.430 111 H HN 0.538 nan 8.280 nan 0.000 0.545 112 E N -0.757 119.453 120.200 0.015 0.000 2.474 112 E HA 0.171 4.520 4.350 -0.001 0.000 0.215 112 E C 1.149 177.721 176.600 -0.048 0.000 0.867 112 E CA 0.394 56.795 56.400 0.002 0.000 1.135 112 E CB 1.428 31.153 29.700 0.041 0.000 1.147 112 E HN 0.364 nan 8.360 nan 0.000 0.534 113 G N 2.599 111.313 108.800 -0.143 0.000 2.159 113 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.256 113 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.256 113 G C 0.503 175.451 174.900 0.081 0.000 0.977 113 G CA 0.677 45.673 45.100 -0.174 0.000 0.652 113 G HN 0.337 nan 8.290 nan 0.000 0.531 114 T N -1.515 113.116 114.554 0.129 0.000 2.889 114 T HA 0.564 4.913 4.350 -0.001 0.000 0.291 114 T C 1.468 176.305 174.700 0.228 0.000 0.995 114 T CA 0.725 62.916 62.100 0.152 0.000 1.092 114 T CB 1.670 70.599 68.868 0.101 0.000 0.954 114 T HN 0.878 nan 8.240 nan 0.000 0.506 115 T N -1.148 113.498 114.554 0.153 0.000 3.065 115 T HA 0.224 4.574 4.350 -0.001 0.000 0.252 115 T C 0.724 175.464 174.700 0.068 0.000 1.099 115 T CA 0.089 62.243 62.100 0.091 0.000 1.063 115 T CB 0.055 68.940 68.868 0.028 0.000 0.948 115 T HN 0.718 nan 8.240 nan 0.000 0.506 116 T N 0.989 115.595 114.554 0.086 0.000 2.909 116 T HA 0.680 5.029 4.350 -0.001 0.000 0.299 116 T C -1.133 173.622 174.700 0.092 0.000 1.073 116 T CA -0.490 61.660 62.100 0.083 0.000 0.999 116 T CB 1.511 70.421 68.868 0.070 0.000 1.098 116 T HN 0.450 nan 8.240 nan 0.000 0.477 117 A N 4.982 127.859 122.820 0.096 0.000 2.316 117 A HA 0.776 5.095 4.320 -0.001 0.000 0.284 117 A C -2.304 175.333 177.584 0.087 0.000 1.115 117 A CA -1.322 50.766 52.037 0.085 0.000 0.812 117 A CB 0.001 19.047 19.000 0.077 0.000 1.064 117 A HN 0.663 nan 8.150 nan 0.000 0.489 118 P HA 0.117 nan 4.420 nan 0.000 0.274 118 P C -0.747 176.617 177.300 0.107 0.000 1.237 118 P CA -0.160 62.996 63.100 0.094 0.000 0.793 118 P CB 0.320 32.063 31.700 0.072 0.000 0.977 119 Y N 1.630 121.957 120.300 0.045 0.000 2.610 119 Y HA 0.257 4.807 4.550 -0.000 0.000 0.332 119 Y C 0.298 176.230 175.900 0.054 0.000 1.201 119 Y CA 0.772 58.902 58.100 0.049 0.000 1.465 119 Y CB 0.287 38.762 38.460 0.026 0.000 1.283 119 Y HN 0.497 nan 8.280 nan 0.000 0.563 120 S N 4.576 119.735 115.700 -0.901 0.000 2.556 120 S HA 0.217 4.686 4.470 -0.001 0.000 0.271 120 S C 0.313 174.355 174.600 -0.931 0.000 1.135 120 S CA -0.635 57.039 58.200 -0.877 0.000 0.858 120 S CB 1.634 64.642 63.200 -0.320 0.000 1.114 120 S HN 0.859 nan 8.310 nan 0.000 0.468 121 E N 2.095 121.975 120.200 -0.534 0.000 2.204 121 E HA -0.059 4.291 4.350 -0.001 0.000 0.194 121 E C 1.351 177.944 176.600 -0.013 0.000 0.989 121 E CA 1.407 57.775 56.400 -0.053 0.000 0.824 121 E CB -0.612 29.127 29.700 0.065 0.000 0.756 121 E HN 0.886 nan 8.360 nan 0.000 0.477 122 G N 0.419 109.152 108.800 -0.111 0.000 3.181 122 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.219 122 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.219 122 G C 0.262 175.090 174.900 -0.120 0.000 1.182 122 G CA -0.185 44.847 45.100 -0.114 0.000 0.791 122 G HN 0.076 nan 8.290 nan 0.000 0.537 123 D N 0.608 120.942 120.400 -0.110 0.000 2.352 123 D HA 0.268 4.908 4.640 -0.001 0.000 0.236 123 D C 1.768 178.092 176.300 0.041 0.000 1.148 123 D CA 0.115 54.082 54.000 -0.054 0.000 0.844 123 D CB 0.606 41.409 40.800 0.005 0.000 0.933 123 D HN 0.254 nan 8.370 nan 0.000 0.507 124 A N 0.069 122.785 122.820 -0.173 0.000 2.507 124 A HA 0.518 4.837 4.320 -0.001 0.000 0.270 124 A C 1.250 178.914 177.584 0.134 0.000 1.318 124 A CA -0.315 51.618 52.037 -0.172 0.000 0.924 124 A CB -0.047 18.639 19.000 -0.524 0.000 1.061 124 A HN 0.199 nan 8.150 nan 0.000 0.516 125 G N 0.139 109.053 108.800 0.190 0.000 2.616 125 G HA2 0.299 4.259 3.960 -0.001 0.000 0.268 125 G HA3 0.299 4.259 3.960 -0.001 0.000 0.268 125 G C 0.471 175.439 174.900 0.114 0.000 1.213 125 G CA 0.040 45.263 45.100 0.203 0.000 0.926 125 G HN 0.476 nan 8.290 nan 0.000 0.523 126 N N -0.810 117.921 118.700 0.052 0.000 2.314 126 N HA 0.074 4.814 4.740 -0.001 0.000 0.200 126 N C 1.646 177.058 175.510 -0.163 0.000 1.135 126 N CA 0.557 53.575 53.050 -0.055 0.000 0.835 126 N CB 0.285 38.764 38.487 -0.014 0.000 0.989 126 N HN 0.478 nan 8.380 nan 0.000 0.478 127 G N -0.400 108.264 108.800 -0.226 0.000 2.471 127 G HA2 -0.030 3.929 3.960 -0.001 0.000 0.219 127 G HA3 -0.030 3.929 3.960 -0.001 0.000 0.219 127 G C 1.372 176.014 174.900 -0.430 0.000 1.125 127 G CA 0.689 45.647 45.100 -0.237 0.000 0.775 127 G HN 0.531 nan 8.290 nan 0.000 0.548 128 A N 0.783 123.147 122.820 -0.759 0.000 1.911 128 A HA 0.577 4.897 4.320 -0.001 0.000 0.212 128 A C 2.701 180.147 177.584 -0.230 0.000 1.189 128 A CA 1.461 53.259 52.037 -0.398 0.000 0.639 128 A CB -0.529 18.276 19.000 -0.325 0.000 0.839 128 A HN 0.554 nan 8.150 nan 0.000 0.449 129 A N 0.841 123.525 122.820 -0.226 0.000 1.933 129 A HA -0.149 4.170 4.320 -0.001 0.000 0.218 129 A C 2.252 179.744 177.584 -0.154 0.000 1.175 129 A CA 1.866 53.810 52.037 -0.156 0.000 0.628 129 A CB -0.781 18.141 19.000 -0.130 0.000 0.814 129 A HN 0.801 nan 8.150 nan 0.000 0.444 130 M N -0.333 119.170 119.600 -0.161 0.000 2.460 130 M HA -0.061 4.418 4.480 -0.001 0.000 0.263 130 M C 1.456 177.659 176.300 -0.161 0.000 1.071 130 M CA 1.997 57.209 55.300 -0.146 0.000 1.096 130 M CB -0.254 32.270 32.600 -0.127 0.000 1.408 130 M HN 0.468 nan 8.290 nan 0.000 0.463 131 R N -1.318 119.082 120.500 -0.167 0.000 2.543 131 R HA 0.312 4.651 4.340 -0.001 0.000 0.323 131 R C 0.910 177.132 176.300 -0.130 0.000 1.002 131 R CA -0.186 55.817 56.100 -0.161 0.000 1.106 131 R CB -0.761 29.430 30.300 -0.182 0.000 1.280 131 R HN 0.289 nan 8.270 nan 0.000 0.549 132 C N 0.601 119.820 119.300 -0.135 0.000 2.446 132 C HA 0.008 4.467 4.460 -0.001 0.000 0.279 132 C C 2.342 177.247 174.990 -0.142 0.000 1.366 132 C CA 0.134 59.085 59.018 -0.112 0.000 1.763 132 C CB -0.810 26.861 27.740 -0.115 0.000 1.929 132 C HN 0.618 nan 8.230 nan 0.000 0.509 133 L N 2.604 123.693 121.223 -0.224 0.000 2.010 133 L HA -0.164 4.176 4.340 -0.001 0.000 0.219 133 L C -0.672 176.054 176.870 -0.240 0.000 1.077 133 L CA 2.606 57.272 54.840 -0.289 0.000 0.773 133 L CB -1.817 39.951 42.059 -0.485 0.000 0.892 133 L HN 0.138 nan 8.230 nan 0.000 0.436 134 P HA -0.155 nan 4.420 nan 0.000 0.216 134 P C 1.530 178.853 177.300 0.038 0.000 1.150 134 P CA 2.050 65.107 63.100 -0.072 0.000 0.837 134 P CB -0.262 31.441 31.700 0.005 0.000 0.786 135 A N 0.030 122.877 122.820 0.044 0.000 1.902 135 A HA -0.096 4.224 4.320 -0.001 0.000 0.217 135 A C 2.334 179.976 177.584 0.097 0.000 1.181 135 A CA 2.033 54.157 52.037 0.145 0.000 0.623 135 A CB -1.587 17.488 19.000 0.126 0.000 0.818 135 A HN 0.193 nan 8.150 nan 0.000 0.443 136 A N -0.142 122.672 122.820 -0.010 0.000 1.883 136 A HA -0.077 4.242 4.320 -0.001 0.000 0.217 136 A C 2.186 179.833 177.584 0.106 0.000 1.186 136 A CA 1.578 53.591 52.037 -0.040 0.000 0.624 136 A CB -0.625 18.308 19.000 -0.113 0.000 0.822 136 A HN 0.478 nan 8.150 nan 0.000 0.444 137 L N -0.927 120.321 121.223 0.040 0.000 2.056 137 L HA -0.164 4.175 4.340 -0.001 0.000 0.207 137 L C 3.053 179.942 176.870 0.031 0.000 1.078 137 L CA 1.035 55.896 54.840 0.035 0.000 0.749 137 L CB -0.583 41.498 42.059 0.036 0.000 0.901 137 L HN 0.433 nan 8.230 nan 0.000 0.433 138 A N -0.171 122.702 122.820 0.089 0.000 2.070 138 A HA -0.162 4.157 4.320 -0.001 0.000 0.220 138 A C 2.060 179.563 177.584 -0.135 0.000 1.159 138 A CA 1.990 54.109 52.037 0.137 0.000 0.656 138 A CB -0.721 18.514 19.000 0.392 0.000 0.800 138 A HN 0.529 nan 8.150 nan 0.000 0.453 139 T N -3.245 111.153 114.554 -0.260 0.000 3.134 139 T HA 0.400 4.749 4.350 -0.001 0.000 0.260 139 T C 1.355 175.725 174.700 -0.550 0.000 1.027 139 T CA -0.020 61.675 62.100 -0.675 0.000 0.913 139 T CB -0.194 68.430 68.868 -0.406 0.000 1.046 139 T HN 0.230 nan 8.240 nan 0.000 0.553 140 L N 0.928 121.868 121.223 -0.471 0.000 2.042 140 L HA 0.056 4.396 4.340 -0.001 0.000 0.210 140 L C 2.854 179.426 176.870 -0.495 0.000 1.076 140 L CA 1.781 56.237 54.840 -0.639 0.000 0.749 140 L CB -0.613 41.223 42.059 -0.372 0.000 0.893 140 L HN 0.543 nan 8.230 nan 0.000 0.432 141 G N -1.692 106.894 108.800 -0.356 0.000 2.551 141 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.216 141 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.216 141 G C 0.280 175.116 174.900 -0.106 0.000 1.137 141 G CA 0.132 45.129 45.100 -0.172 0.000 0.798 141 G HN 0.663 nan 8.290 nan 0.000 0.536 142 H N -1.119 117.850 119.070 -0.168 0.000 2.340 142 H HA 0.433 4.989 4.556 -0.001 0.000 0.233 142 H C -1.873 173.346 175.328 -0.183 0.000 1.435 142 H CA -2.184 53.758 56.048 -0.176 0.000 1.389 142 H CB 1.530 31.168 29.762 -0.208 0.000 1.491 142 H HN 0.009 nan 8.280 nan 0.000 0.518 143 P HA -0.198 nan 4.420 nan 0.000 0.220 143 P C 1.638 178.898 177.300 -0.066 0.000 1.148 143 P CA 1.432 64.512 63.100 -0.034 0.000 0.803 143 P CB 0.231 31.931 31.700 -0.001 0.000 0.782 144 A N 1.050 123.831 122.820 -0.065 0.000 1.971 144 A HA -0.226 4.093 4.320 -0.001 0.000 0.222 144 A C 1.882 179.401 177.584 -0.108 0.000 1.182 144 A CA 2.208 54.207 52.037 -0.063 0.000 0.649 144 A CB -1.299 17.676 19.000 -0.040 0.000 0.818 144 A HN 0.142 nan 8.150 nan 0.000 0.458 145 D N -0.952 119.319 120.400 -0.216 0.000 2.355 145 D HA 0.026 4.665 4.640 -0.001 0.000 0.218 145 D C 1.652 177.716 176.300 -0.394 0.000 1.004 145 D CA 0.401 54.141 54.000 -0.433 0.000 0.880 145 D CB 0.005 40.224 40.800 -0.970 0.000 0.911 145 D HN 0.412 nan 8.370 nan 0.000 0.528 146 L N 1.381 122.460 121.223 -0.240 0.000 1.989 146 L HA -0.161 4.178 4.340 -0.001 0.000 0.211 146 L C 2.083 178.912 176.870 -0.068 0.000 1.071 146 L CA 1.887 56.618 54.840 -0.181 0.000 0.749 146 L CB -0.403 41.481 42.059 -0.291 0.000 0.890 146 L HN -0.124 nan 8.230 nan 0.000 0.431 147 E N -0.046 120.123 120.200 -0.051 0.000 2.015 147 E HA -0.159 4.190 4.350 -0.001 0.000 0.191 147 E C -0.334 176.312 176.600 0.077 0.000 0.991 147 E CA 1.813 58.215 56.400 0.003 0.000 0.802 147 E CB -1.239 28.461 29.700 -0.001 0.000 0.759 147 E HN 0.420 nan 8.360 nan 0.000 0.447 148 P HA -0.157 nan 4.420 nan 0.000 0.215 148 P C 1.255 178.736 177.300 0.300 0.000 1.153 148 P CA 1.276 64.494 63.100 0.196 0.000 0.853 148 P CB -0.523 31.316 31.700 0.231 0.000 0.788 149 W N -0.040 121.263 121.300 0.004 0.000 2.378 149 W HA -0.078 4.582 4.660 -0.001 0.000 0.313 149 W C 2.566 179.076 176.519 -0.015 0.000 1.197 149 W CA 0.444 57.789 57.345 -0.000 0.000 1.304 149 W CB -1.823 27.643 29.460 0.011 0.000 1.148 149 W HN -0.255 nan 8.180 nan 0.000 0.494 150 V N 0.456 120.497 119.914 0.211 0.000 2.332 150 V HA -0.286 3.833 4.120 -0.001 0.000 0.248 150 V C 2.223 178.358 176.094 0.070 0.000 1.055 150 V CA 1.647 64.000 62.300 0.089 0.000 1.038 150 V CB -0.993 30.837 31.823 0.011 0.000 0.651 150 V HN 0.110 nan 8.190 nan 0.000 0.450 151 L N -0.445 120.827 121.223 0.081 0.000 2.109 151 L HA -0.051 4.289 4.340 -0.001 0.000 0.207 151 L C 2.621 179.536 176.870 0.075 0.000 1.086 151 L CA 1.255 56.140 54.840 0.074 0.000 0.760 151 L CB -0.595 41.509 42.059 0.074 0.000 0.910 151 L HN 0.330 nan 8.230 nan 0.000 0.437 152 A N 0.400 123.262 122.820 0.070 0.000 1.877 152 A HA -0.284 4.036 4.320 -0.001 0.000 0.216 152 A C 2.162 179.753 177.584 0.012 0.000 1.186 152 A CA 1.926 53.981 52.037 0.031 0.000 0.620 152 A CB -0.552 18.443 19.000 -0.008 0.000 0.822 152 A HN 0.557 nan 8.150 nan 0.000 0.443 153 Q N 0.063 119.869 119.800 0.011 0.000 2.079 153 Q HA 0.108 4.447 4.340 -0.001 0.000 0.200 153 Q C 1.858 177.930 176.000 0.121 0.000 0.974 153 Q CA 2.253 58.074 55.803 0.029 0.000 0.840 153 Q CB -0.910 27.845 28.738 0.029 0.000 0.898 153 Q HN 0.453 nan 8.270 nan 0.000 0.430 154 A N 0.960 123.839 122.820 0.097 0.000 1.898 154 A HA -0.092 4.228 4.320 -0.001 0.000 0.216 154 A C 2.156 179.835 177.584 0.158 0.000 1.181 154 A CA 1.341 53.442 52.037 0.106 0.000 0.620 154 A CB -0.390 18.649 19.000 0.065 0.000 0.819 154 A HN 0.256 nan 8.150 nan 0.000 0.442 155 R N -0.263 120.316 120.500 0.131 0.000 2.285 155 R HA 0.041 4.380 4.340 -0.001 0.000 0.213 155 R C 1.736 178.116 176.300 0.133 0.000 1.068 155 R CA 0.648 56.829 56.100 0.135 0.000 1.004 155 R CB -0.807 29.555 30.300 0.104 0.000 0.873 155 R HN 0.676 nan 8.270 nan 0.000 0.467 156 I N 0.497 121.149 120.570 0.136 0.000 2.248 156 I HA -0.318 3.851 4.170 -0.001 0.000 0.248 156 I C 2.119 178.349 176.117 0.189 0.000 1.107 156 I CA 2.143 63.531 61.300 0.146 0.000 1.373 156 I CB -0.221 37.878 38.000 0.165 0.000 1.055 156 I HN 0.276 nan 8.210 nan 0.000 0.418 157 T N -4.710 109.981 114.554 0.229 0.000 3.028 157 T HA 0.136 4.486 4.350 -0.001 0.000 0.250 157 T C 0.398 175.144 174.700 0.076 0.000 0.979 157 T CA -0.194 62.019 62.100 0.188 0.000 1.004 157 T CB 0.036 69.070 68.868 0.277 0.000 1.120 157 T HN 0.104 nan 8.240 nan 0.000 0.482 158 H N 1.691 120.813 119.070 0.087 0.000 2.587 158 H HA 0.689 5.244 4.556 -0.001 0.000 0.325 158 H C -1.025 174.371 175.328 0.114 0.000 1.012 158 H CA -0.810 55.289 56.048 0.086 0.000 1.213 158 H CB 1.076 30.884 29.762 0.076 0.000 1.431 158 H HN 0.140 nan 8.280 nan 0.000 0.492 159 N N 2.974 121.795 118.700 0.200 0.000 2.696 159 N HA 0.123 4.863 4.740 -0.001 0.000 0.246 159 N C -1.723 173.985 175.510 0.330 0.000 1.057 159 N CA -0.321 52.866 53.050 0.228 0.000 0.867 159 N CB 0.308 38.908 38.487 0.188 0.000 1.141 159 N HN 0.701 nan 8.380 nan 0.000 0.517 160 H N 3.101 122.311 119.070 0.235 0.000 3.087 160 H HA 0.276 4.832 4.556 -0.001 0.000 0.348 160 H C -2.298 173.149 175.328 0.199 0.000 1.092 160 H CA -1.087 55.131 56.048 0.284 0.000 1.285 160 H CB 2.462 32.349 29.762 0.207 0.000 1.875 160 H HN 0.189 nan 8.280 nan 0.000 0.512 161 P HA -0.147 nan 4.420 nan 0.000 0.217 161 P C 1.559 178.891 177.300 0.054 0.000 1.148 161 P CA 0.734 63.860 63.100 0.042 0.000 0.828 161 P CB 0.477 32.169 31.700 -0.014 0.000 0.783 162 L N -1.026 120.363 121.223 0.276 0.000 2.109 162 L HA -0.050 4.290 4.340 -0.001 0.000 0.207 162 L C 2.584 179.616 176.870 0.269 0.000 1.086 162 L CA 1.756 56.729 54.840 0.222 0.000 0.760 162 L CB -1.952 40.229 42.059 0.203 0.000 0.910 162 L HN -0.007 nan 8.230 nan 0.000 0.437 163 S N -0.626 115.234 115.700 0.265 0.000 2.348 163 S HA -0.188 4.282 4.470 -0.001 0.000 0.221 163 S C 1.705 176.367 174.600 0.103 0.000 1.033 163 S CA 1.422 59.718 58.200 0.159 0.000 1.010 163 S CB -0.217 63.097 63.200 0.189 0.000 0.891 163 S HN 0.432 nan 8.310 nan 0.000 0.442 164 D N 1.714 122.191 120.400 0.127 0.000 2.126 164 D HA -0.129 4.511 4.640 -0.001 0.000 0.190 164 D C 2.231 178.556 176.300 0.041 0.000 1.001 164 D CA 1.697 55.747 54.000 0.084 0.000 0.841 164 D CB -0.874 39.986 40.800 0.099 0.000 0.949 164 D HN 0.517 nan 8.370 nan 0.000 0.446 165 A N 0.700 123.540 122.820 0.033 0.000 1.933 165 A HA -0.002 4.317 4.320 -0.001 0.000 0.218 165 A C 2.292 179.819 177.584 -0.096 0.000 1.175 165 A CA 2.341 54.382 52.037 0.007 0.000 0.628 165 A CB -0.708 18.292 19.000 -0.000 0.000 0.814 165 A HN 0.257 nan 8.150 nan 0.000 0.444 166 A N -0.901 121.836 122.820 -0.139 0.000 1.898 166 A HA -0.135 4.184 4.320 -0.001 0.000 0.216 166 A C 2.312 179.798 177.584 -0.163 0.000 1.181 166 A CA 1.574 53.456 52.037 -0.258 0.000 0.620 166 A CB -1.292 17.595 19.000 -0.189 0.000 0.819 166 A HN 0.590 nan 8.150 nan 0.000 0.442 167 C N -1.237 118.006 119.300 -0.095 0.000 2.413 167 C HA -0.122 4.338 4.460 -0.001 0.000 0.277 167 C C 2.534 177.468 174.990 -0.093 0.000 1.228 167 C CA 1.273 60.239 59.018 -0.087 0.000 1.731 167 C CB -1.458 26.253 27.740 -0.047 0.000 2.042 167 C HN 0.659 nan 8.230 nan 0.000 0.468 168 L N 0.856 122.038 121.223 -0.068 0.000 2.046 168 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 168 L C 2.560 179.374 176.870 -0.093 0.000 1.077 168 L CA 2.201 57.000 54.840 -0.069 0.000 0.747 168 L CB -1.227 40.816 42.059 -0.027 0.000 0.896 168 L HN 0.317 nan 8.230 nan 0.000 0.432 169 T N -0.190 114.307 114.554 -0.095 0.000 2.684 169 T HA -0.194 4.156 4.350 -0.001 0.000 0.267 169 T C 1.979 176.611 174.700 -0.113 0.000 1.036 169 T CA 1.850 63.894 62.100 -0.092 0.000 1.148 169 T CB -0.361 68.428 68.868 -0.131 0.000 0.863 169 T HN 0.278 nan 8.240 nan 0.000 0.436 170 L N 0.593 121.724 121.223 -0.153 0.000 2.012 170 L HA -0.080 4.260 4.340 -0.001 0.000 0.210 170 L C 3.024 179.792 176.870 -0.170 0.000 1.073 170 L CA 1.575 56.312 54.840 -0.170 0.000 0.748 170 L CB -1.030 40.922 42.059 -0.178 0.000 0.891 170 L HN 0.372 nan 8.230 nan 0.000 0.431 171 G N -0.578 108.113 108.800 -0.181 0.000 2.418 171 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.217 171 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.217 171 G C 1.736 176.441 174.900 -0.325 0.000 1.158 171 G CA 0.525 45.476 45.100 -0.247 0.000 0.771 171 G HN 0.271 nan 8.290 nan 0.000 0.545 172 R N -0.584 119.766 120.500 -0.251 0.000 2.096 172 R HA 0.087 4.426 4.340 -0.001 0.000 0.235 172 R C 2.745 178.969 176.300 -0.128 0.000 1.127 172 R CA 1.240 57.194 56.100 -0.244 0.000 0.968 172 R CB -0.292 29.935 30.300 -0.121 0.000 0.861 172 R HN 0.370 nan 8.270 nan 0.000 0.440 173 M N -0.117 119.479 119.600 -0.008 0.000 2.086 173 M HA -0.162 4.318 4.480 -0.001 0.000 0.261 173 M C 2.272 178.580 176.300 0.014 0.000 1.067 173 M CA 1.425 56.774 55.300 0.081 0.000 1.116 173 M CB -0.187 32.387 32.600 -0.044 0.000 1.348 173 M HN -0.018 nan 8.290 nan 0.000 0.407 174 V N -0.172 119.700 119.914 -0.069 0.000 2.282 174 V HA -0.345 3.775 4.120 -0.001 0.000 0.249 174 V C 2.114 178.241 176.094 0.055 0.000 1.057 174 V CA 2.050 64.326 62.300 -0.040 0.000 1.032 174 V CB -1.155 30.629 31.823 -0.066 0.000 0.645 174 V HN 0.511 nan 8.190 nan 0.000 0.447 175 H N -1.485 117.499 119.070 -0.143 0.000 2.353 175 H HA -0.162 4.393 4.556 -0.001 0.000 0.300 175 H C 2.478 177.723 175.328 -0.137 0.000 1.090 175 H CA 1.489 57.432 56.048 -0.174 0.000 1.327 175 H CB -0.020 29.589 29.762 -0.255 0.000 1.383 175 H HN 0.511 nan 8.280 nan 0.000 0.508 176 H N 0.570 119.690 119.070 0.083 0.000 2.319 176 H HA -0.138 4.418 4.556 -0.001 0.000 0.297 176 H C 2.572 177.908 175.328 0.015 0.000 1.097 176 H CA 1.246 57.316 56.048 0.038 0.000 1.285 176 H CB -0.277 29.507 29.762 0.037 0.000 1.368 176 H HN 0.307 nan 8.280 nan 0.000 0.495 177 L N -0.043 121.255 121.223 0.126 0.000 2.044 177 L HA -0.107 4.233 4.340 -0.001 0.000 0.205 177 L C 2.671 179.552 176.870 0.018 0.000 1.075 177 L CA 0.807 55.677 54.840 0.051 0.000 0.747 177 L CB -0.324 41.734 42.059 -0.001 0.000 0.903 177 L HN 0.136 nan 8.230 nan 0.000 0.435 178 I N -0.084 120.487 120.570 0.002 0.000 2.493 178 I HA -0.163 4.007 4.170 -0.001 0.000 0.254 178 I C 2.221 178.322 176.117 -0.027 0.000 1.160 178 I CA 1.222 62.510 61.300 -0.020 0.000 1.445 178 I CB -0.599 37.377 38.000 -0.039 0.000 1.086 178 I HN 0.270 nan 8.210 nan 0.000 0.433 179 G N -0.273 108.513 108.800 -0.023 0.000 2.920 179 G HA2 0.232 4.191 3.960 -0.001 0.000 0.208 179 G HA3 0.232 4.191 3.960 -0.001 0.000 0.208 179 G C 1.351 176.256 174.900 0.008 0.000 1.159 179 G CA 0.518 45.603 45.100 -0.026 0.000 0.784 179 G HN 0.541 nan 8.290 nan 0.000 0.535 180 G N 0.201 109.013 108.800 0.021 0.000 2.199 180 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.254 180 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.254 180 G C 1.285 176.208 174.900 0.039 0.000 0.982 180 G CA 0.434 45.548 45.100 0.025 0.000 0.632 180 G HN 0.529 nan 8.290 nan 0.000 0.529 181 R N 0.862 121.402 120.500 0.066 0.000 2.276 181 R HA 0.380 4.720 4.340 -0.001 0.000 0.203 181 R C 1.716 178.045 176.300 0.047 0.000 1.017 181 R CA 0.891 57.034 56.100 0.073 0.000 1.010 181 R CB -0.130 30.260 30.300 0.149 0.000 0.900 181 R HN 1.534 nan 8.270 nan 0.000 0.469 182 G N 0.799 109.631 108.800 0.054 0.000 2.725 182 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.220 182 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.220 182 G C 0.333 175.277 174.900 0.072 0.000 1.357 182 G CA 0.007 45.133 45.100 0.043 0.000 0.866 182 G HN 0.198 nan 8.290 nan 0.000 0.548 183 M N -0.059 119.591 119.600 0.083 0.000 2.229 183 M HA 0.010 4.490 4.480 -0.001 0.000 0.264 183 M C 2.504 178.900 176.300 0.161 0.000 1.063 183 M CA 2.413 57.812 55.300 0.166 0.000 1.114 183 M CB -0.277 32.354 32.600 0.052 0.000 1.387 183 M HN 0.634 nan 8.290 nan 0.000 0.420 184 K N 0.453 120.890 120.400 0.062 0.000 2.032 184 K HA -0.186 4.133 4.320 -0.001 0.000 0.209 184 K C 1.783 178.363 176.600 -0.032 0.000 1.048 184 K CA 1.712 58.007 56.287 0.013 0.000 0.927 184 K CB -0.250 32.245 32.500 -0.007 0.000 0.712 184 K HN 0.446 nan 8.250 nan 0.000 0.441 185 A N 0.989 123.754 122.820 -0.092 0.000 1.883 185 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 185 A C 2.565 179.942 177.584 -0.344 0.000 1.186 185 A CA 1.840 53.684 52.037 -0.322 0.000 0.624 185 A CB -1.080 17.628 19.000 -0.487 0.000 0.822 185 A HN 0.570 nan 8.150 nan 0.000 0.444 186 C N -1.190 118.063 119.300 -0.078 0.000 2.413 186 C HA -0.069 4.391 4.460 -0.001 0.000 0.277 186 C C 2.816 177.986 174.990 0.301 0.000 1.265 186 C CA 1.060 60.172 59.018 0.156 0.000 1.752 186 C CB -1.296 26.642 27.740 0.331 0.000 1.998 186 C HN 0.557 nan 8.230 nan 0.000 0.489 187 R N 1.200 121.843 120.500 0.238 0.000 2.081 187 R HA -0.106 4.234 4.340 -0.001 0.000 0.235 187 R C 2.001 178.278 176.300 -0.039 0.000 1.131 187 R CA 1.563 57.624 56.100 -0.064 0.000 0.960 187 R CB -0.577 29.590 30.300 -0.222 0.000 0.856 187 R HN 0.659 nan 8.270 nan 0.000 0.436 188 E N -0.231 119.945 120.200 -0.039 0.000 2.110 188 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 188 E C 1.840 178.448 176.600 0.013 0.000 0.988 188 E CA 1.034 57.414 56.400 -0.035 0.000 0.804 188 E CB -0.053 29.607 29.700 -0.067 0.000 0.745 188 E HN 0.218 nan 8.360 nan 0.000 0.458 189 E N 0.849 121.067 120.200 0.029 0.000 2.072 189 E HA -0.135 4.215 4.350 -0.001 0.000 0.191 189 E C 1.827 178.500 176.600 0.122 0.000 0.985 189 E CA 1.259 57.715 56.400 0.092 0.000 0.801 189 E CB -0.153 29.631 29.700 0.140 0.000 0.750 189 E HN 0.251 nan 8.360 nan 0.000 0.452 190 A N 0.657 123.587 122.820 0.183 0.000 1.898 190 A HA -0.166 4.153 4.320 -0.001 0.000 0.216 190 A C 1.910 179.650 177.584 0.259 0.000 1.181 190 A CA 1.615 53.807 52.037 0.258 0.000 0.620 190 A CB -0.633 18.640 19.000 0.455 0.000 0.819 190 A HN 0.236 nan 8.150 nan 0.000 0.442 191 N N 0.212 119.016 118.700 0.173 0.000 2.289 191 N HA -0.165 4.574 4.740 -0.001 0.000 0.184 191 N C 1.759 177.360 175.510 0.152 0.000 1.016 191 N CA 1.606 54.735 53.050 0.132 0.000 0.872 191 N CB -0.468 38.043 38.487 0.040 0.000 0.973 191 N HN 0.801 nan 8.380 nan 0.000 0.433 192 R N 0.128 120.700 120.500 0.120 0.000 2.161 192 R HA 0.094 4.433 4.340 -0.001 0.000 0.213 192 R C 1.918 178.325 176.300 0.178 0.000 1.055 192 R CA 0.399 56.569 56.100 0.116 0.000 0.996 192 R CB -0.579 29.746 30.300 0.042 0.000 0.901 192 R HN 0.072 nan 8.270 nan 0.000 0.456 193 L N 1.466 122.794 121.223 0.174 0.000 2.017 193 L HA -0.087 4.252 4.340 -0.001 0.000 0.208 193 L C 2.069 179.138 176.870 0.332 0.000 1.073 193 L CA 1.542 56.500 54.840 0.197 0.000 0.745 193 L CB -0.299 41.785 42.059 0.042 0.000 0.894 193 L HN 0.040 nan 8.230 nan 0.000 0.432 194 V N -0.293 119.821 119.914 0.334 0.000 2.626 194 V HA -0.270 3.849 4.120 -0.001 0.000 0.252 194 V C 2.619 178.866 176.094 0.254 0.000 1.067 194 V CA 1.771 64.284 62.300 0.355 0.000 1.081 194 V CB -1.154 30.856 31.823 0.311 0.000 0.686 194 V HN 0.650 nan 8.190 nan 0.000 0.468 195 H N 1.209 120.356 119.070 0.129 0.000 2.423 195 H HA -0.145 4.411 4.556 -0.000 0.000 0.297 195 H C 2.335 177.683 175.328 0.033 0.000 1.075 195 H CA 2.064 58.150 56.048 0.064 0.000 1.342 195 H CB 0.338 30.126 29.762 0.043 0.000 1.395 195 H HN 0.715 nan 8.280 nan 0.000 0.530 196 Q N -1.047 118.857 119.800 0.172 0.000 2.391 196 Q HA 0.046 4.385 4.340 -0.001 0.000 0.211 196 Q C -0.123 175.681 176.000 -0.327 0.000 0.908 196 Q CA 0.519 56.296 55.803 -0.043 0.000 0.920 196 Q CB 0.575 29.300 28.738 -0.022 0.000 1.056 196 Q HN 0.350 nan 8.270 nan 0.000 0.523 197 H N 0.449 119.652 119.070 0.222 0.000 2.917 197 H HA 0.313 4.869 4.556 -0.001 0.000 0.279 197 H C -0.261 175.200 175.328 0.221 0.000 1.211 197 H CA -0.527 55.654 56.048 0.222 0.000 1.534 197 H CB 1.502 31.471 29.762 0.345 0.000 1.581 197 H HN 0.064 nan 8.280 nan 0.000 0.510 198 R N 1.099 121.717 120.500 0.197 0.000 2.193 198 R HA -0.084 4.256 4.340 -0.001 0.000 0.229 198 R C 1.208 177.679 176.300 0.285 0.000 1.110 198 R CA 0.905 57.120 56.100 0.193 0.000 0.988 198 R CB 0.139 30.486 30.300 0.079 0.000 0.871 198 R HN 0.576 nan 8.270 nan 0.000 0.458 199 D N -0.524 119.954 120.400 0.129 0.000 2.190 199 D HA -0.215 4.424 4.640 -0.001 0.000 0.200 199 D C 1.059 177.298 176.300 -0.101 0.000 0.992 199 D CA 1.216 55.200 54.000 -0.028 0.000 0.854 199 D CB -0.128 40.523 40.800 -0.248 0.000 0.936 199 D HN 0.258 nan 8.370 nan 0.000 0.462 200 F N 1.104 121.147 119.950 0.154 0.000 2.748 200 F HA -0.050 4.477 4.527 -0.000 0.000 0.299 200 F C 1.359 177.316 175.800 0.261 0.000 1.154 200 F CA 0.024 58.117 58.000 0.156 0.000 1.446 200 F CB -0.800 38.313 39.000 0.189 0.000 1.112 200 F HN 0.067 nan 8.300 nan 0.000 0.584 201 H N 0.174 119.445 119.070 0.335 0.000 3.094 201 H HA -0.108 4.448 4.556 -0.001 0.000 0.320 201 H C 0.087 175.571 175.328 0.260 0.000 1.000 201 H CA 0.505 56.676 56.048 0.204 0.000 1.413 201 H CB 0.108 29.903 29.762 0.055 0.000 1.405 201 H HN 0.356 nan 8.280 nan 0.000 0.586 202 F N 0.313 120.371 119.950 0.181 0.000 2.825 202 F HA 0.477 5.004 4.527 -0.001 0.000 0.322 202 F C -0.773 175.149 175.800 0.204 0.000 1.127 202 F CA -0.828 57.276 58.000 0.172 0.000 1.164 202 F CB 0.698 39.837 39.000 0.231 0.000 1.101 202 F HN 0.267 nan 8.300 nan 0.000 0.529 203 E N 3.481 123.630 120.200 -0.084 0.000 2.283 203 E HA 0.334 4.684 4.350 -0.001 0.000 0.258 203 E C -2.501 174.109 176.600 0.016 0.000 0.893 203 E CA -1.540 54.839 56.400 -0.035 0.000 0.798 203 E CB 1.914 31.503 29.700 -0.185 0.000 1.242 203 E HN 0.123 nan 8.360 nan 0.000 0.414 204 P HA 0.098 nan 4.420 nan 0.000 0.272 204 P C -0.546 176.795 177.300 0.069 0.000 1.223 204 P CA -0.352 62.782 63.100 0.057 0.000 0.784 204 P CB 0.506 32.226 31.700 0.033 0.000 0.923 205 Y N 2.002 122.215 120.300 -0.144 0.000 2.335 205 Y HA 0.127 4.676 4.550 -0.001 0.000 0.331 205 Y C 1.121 176.922 175.900 -0.165 0.000 1.094 205 Y CA -0.088 57.861 58.100 -0.250 0.000 1.253 205 Y CB 0.934 38.893 38.460 -0.835 0.000 1.203 205 Y HN 0.189 nan 8.280 nan 0.000 0.508 206 K N 4.130 124.121 120.400 -0.682 0.000 2.374 206 K HA 0.237 4.557 4.320 -0.001 0.000 0.196 206 K C 1.141 177.377 176.600 -0.607 0.000 1.023 206 K CA 0.600 56.597 56.287 -0.482 0.000 1.103 206 K CB 0.202 32.549 32.500 -0.256 0.000 0.848 206 K HN 1.074 nan 8.250 nan 0.000 0.528 207 G N 1.823 109.886 108.800 -1.228 0.000 2.141 207 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.242 207 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.242 207 G C -0.239 174.527 174.900 -0.223 0.000 0.982 207 G CA -0.150 44.573 45.100 -0.628 0.000 0.662 207 G HN 0.186 nan 8.290 nan 0.000 0.527 208 Q N 0.429 120.098 119.800 -0.218 0.000 2.278 208 Q HA 0.638 4.977 4.340 -0.001 0.000 0.257 208 Q C 0.660 176.725 176.000 0.108 0.000 0.928 208 Q CA 0.281 56.074 55.803 -0.016 0.000 0.932 208 Q CB 1.598 30.327 28.738 -0.014 0.000 1.221 208 Q HN 0.872 nan 8.270 nan 0.000 0.434 209 S N -0.964 114.820 115.700 0.141 0.000 3.025 209 S HA 0.149 4.618 4.470 -0.001 0.000 0.251 209 S C 0.330 175.022 174.600 0.153 0.000 0.954 209 S CA -0.340 57.967 58.200 0.178 0.000 1.092 209 S CB 0.020 63.353 63.200 0.222 0.000 1.079 209 S HN 0.476 nan 8.310 nan 0.000 0.543 210 S N 1.204 116.995 115.700 0.151 0.000 2.626 210 S HA 0.683 5.153 4.470 -0.001 0.000 0.257 210 S C 1.490 176.194 174.600 0.174 0.000 1.288 210 S CA -0.128 58.171 58.200 0.164 0.000 0.980 210 S CB 0.494 63.775 63.200 0.136 0.000 0.975 210 S HN 0.952 nan 8.310 nan 0.000 0.577 211 A N -0.389 122.542 122.820 0.186 0.000 2.216 211 A HA 0.104 4.424 4.320 -0.001 0.000 0.214 211 A C 0.640 178.337 177.584 0.188 0.000 1.160 211 A CA 0.380 52.520 52.037 0.172 0.000 0.725 211 A CB -0.976 18.134 19.000 0.184 0.000 0.784 211 A HN 0.794 nan 8.150 nan 0.000 0.472 212 Y N -0.026 120.297 120.300 0.039 0.000 2.712 212 Y HA 0.103 4.652 4.550 -0.001 0.000 0.333 212 Y C 1.120 177.045 175.900 0.042 0.000 1.225 212 Y CA -0.873 57.237 58.100 0.017 0.000 1.499 212 Y CB 0.303 38.761 38.460 -0.004 0.000 1.288 212 Y HN 0.179 nan 8.280 nan 0.000 0.575 213 I N 5.467 125.980 120.570 -0.096 0.000 2.361 213 I HA -0.207 3.963 4.170 -0.001 0.000 0.251 213 I C 1.712 177.743 176.117 -0.144 0.000 1.133 213 I CA 1.338 62.581 61.300 -0.095 0.000 1.413 213 I CB -0.429 37.582 38.000 0.018 0.000 1.073 213 I HN 0.631 nan 8.210 nan 0.000 0.424 214 V N 0.649 120.140 119.914 -0.705 0.000 2.307 214 V HA -0.273 3.846 4.120 -0.001 0.000 0.245 214 V C 2.203 178.191 176.094 -0.176 0.000 1.045 214 V CA 2.147 64.127 62.300 -0.532 0.000 1.024 214 V CB -0.879 30.378 31.823 -0.942 0.000 0.651 214 V HN 0.351 nan 8.190 nan 0.000 0.449 215 D N 0.011 120.299 120.400 -0.187 0.000 2.092 215 D HA -0.155 4.484 4.640 -0.001 0.000 0.193 215 D C 2.297 178.653 176.300 0.092 0.000 0.994 215 D CA 1.993 56.018 54.000 0.041 0.000 0.828 215 D CB -0.686 40.187 40.800 0.122 0.000 0.963 215 D HN 0.361 nan 8.370 nan 0.000 0.450 216 T N 0.963 115.552 114.554 0.058 0.000 2.635 216 T HA -0.175 4.174 4.350 -0.001 0.000 0.267 216 T C 1.916 176.642 174.700 0.044 0.000 1.040 216 T CA 1.273 63.407 62.100 0.057 0.000 1.156 216 T CB -0.139 68.744 68.868 0.025 0.000 0.863 216 T HN 0.081 nan 8.240 nan 0.000 0.430 217 M N 1.074 120.706 119.600 0.052 0.000 2.117 217 M HA -0.054 4.426 4.480 -0.001 0.000 0.262 217 M C 2.356 178.658 176.300 0.002 0.000 1.065 217 M CA 1.466 56.766 55.300 -0.000 0.000 1.114 217 M CB -1.236 31.366 32.600 0.003 0.000 1.361 217 M HN 0.363 nan 8.290 nan 0.000 0.408 218 Q N -0.763 119.124 119.800 0.145 0.000 2.135 218 Q HA -0.141 4.199 4.340 -0.001 0.000 0.204 218 Q C 1.994 178.114 176.000 0.200 0.000 0.981 218 Q CA 2.034 57.979 55.803 0.237 0.000 0.856 218 Q CB -0.251 28.678 28.738 0.318 0.000 0.902 218 Q HN 0.515 nan 8.270 nan 0.000 0.425 219 T N 0.158 114.840 114.554 0.214 0.000 2.732 219 T HA -0.084 4.265 4.350 -0.001 0.000 0.261 219 T C 2.033 176.761 174.700 0.047 0.000 1.040 219 T CA 1.143 63.325 62.100 0.137 0.000 1.145 219 T CB -0.240 68.800 68.868 0.287 0.000 0.866 219 T HN 0.028 nan 8.240 nan 0.000 0.427 220 V N 1.825 121.739 119.914 -0.000 0.000 2.255 220 V HA -0.145 3.975 4.120 -0.001 0.000 0.247 220 V C 2.522 178.518 176.094 -0.163 0.000 1.051 220 V CA 1.631 63.888 62.300 -0.073 0.000 1.018 220 V CB -0.736 31.008 31.823 -0.131 0.000 0.641 220 V HN 0.416 nan 8.190 nan 0.000 0.445 221 L N -0.754 120.292 121.223 -0.295 0.000 2.027 221 L HA -0.181 4.159 4.340 -0.001 0.000 0.206 221 L C 2.609 179.310 176.870 -0.283 0.000 1.074 221 L CA 2.036 56.587 54.840 -0.483 0.000 0.745 221 L CB -0.958 40.552 42.059 -0.915 0.000 0.898 221 L HN 0.454 nan 8.230 nan 0.000 0.433 222 H N -0.182 118.699 119.070 -0.315 0.000 2.289 222 H HA -0.263 4.292 4.556 -0.001 0.000 0.296 222 H C 2.063 177.253 175.328 -0.230 0.000 1.091 222 H CA 2.260 58.208 56.048 -0.167 0.000 1.274 222 H CB -0.329 29.048 29.762 -0.642 0.000 1.364 222 H HN 0.224 nan 8.280 nan 0.000 0.490 223 Y N -1.233 118.872 120.300 -0.325 0.000 2.373 223 Y HA -0.108 4.442 4.550 -0.001 0.000 0.293 223 Y C 2.335 178.116 175.900 -0.199 0.000 1.129 223 Y CA 1.079 58.993 58.100 -0.310 0.000 1.226 223 Y CB -0.723 37.630 38.460 -0.178 0.000 1.000 223 Y HN 0.361 nan 8.280 nan 0.000 0.549 224 Y N -0.644 119.534 120.300 -0.203 0.000 2.200 224 Y HA -0.227 4.322 4.550 -0.001 0.000 0.290 224 Y C 1.609 177.351 175.900 -0.263 0.000 1.137 224 Y CA 1.287 59.205 58.100 -0.303 0.000 1.163 224 Y CB -0.798 37.336 38.460 -0.544 0.000 0.988 224 Y HN 0.028 nan 8.280 nan 0.000 0.518 225 F N -0.576 119.231 119.950 -0.238 0.000 2.367 225 F HA -0.044 4.482 4.527 -0.001 0.000 0.298 225 F C 2.452 178.129 175.800 -0.205 0.000 1.094 225 F CA 1.251 59.090 58.000 -0.269 0.000 1.409 225 F CB -0.958 38.014 39.000 -0.046 0.000 1.064 225 F HN 0.060 nan 8.300 nan 0.000 0.528 226 V N -2.712 117.161 119.914 -0.069 0.000 2.951 226 V HA 0.057 4.177 4.120 -0.001 0.000 0.255 226 V C 1.011 177.076 176.094 -0.049 0.000 1.088 226 V CA 0.888 63.134 62.300 -0.090 0.000 1.109 226 V CB -1.400 30.281 31.823 -0.236 0.000 0.724 226 V HN 0.283 nan 8.190 nan 0.000 0.471 227 T N -0.073 114.451 114.554 -0.051 0.000 2.897 227 T HA 0.537 4.887 4.350 -0.001 0.000 0.278 227 T C 0.239 174.933 174.700 -0.011 0.000 0.981 227 T CA 0.246 62.332 62.100 -0.023 0.000 0.973 227 T CB 1.616 70.480 68.868 -0.007 0.000 1.092 227 T HN 0.561 nan 8.240 nan 0.000 0.543 228 D N -1.763 118.615 120.400 -0.036 0.000 2.594 228 D HA 0.192 4.831 4.640 -0.001 0.000 0.256 228 D C 0.094 176.172 176.300 -0.370 0.000 1.393 228 D CA -0.257 53.721 54.000 -0.036 0.000 0.797 228 D CB 0.133 40.926 40.800 -0.012 0.000 1.110 228 D HN 0.663 nan 8.370 nan 0.000 0.495 229 T N -1.978 112.258 114.554 -0.529 0.000 2.843 229 T HA 0.362 4.712 4.350 -0.001 0.000 0.302 229 T C -0.396 173.996 174.700 -0.514 0.000 1.232 229 T CA -0.695 60.926 62.100 -0.798 0.000 1.009 229 T CB 0.764 69.428 68.868 -0.339 0.000 1.254 229 T HN -0.156 nan 8.240 nan 0.000 0.504 230 F N 2.306 121.998 119.950 -0.430 0.000 2.102 230 F HA 0.151 4.677 4.527 -0.001 0.000 0.298 230 F C 2.417 178.263 175.800 0.077 0.000 1.105 230 F CA 2.084 60.099 58.000 0.025 0.000 1.239 230 F CB -0.054 39.017 39.000 0.119 0.000 0.991 230 F HN 0.671 nan 8.300 nan 0.000 0.474 231 K N 0.233 120.752 120.400 0.198 0.000 2.020 231 K HA -0.232 4.087 4.320 -0.001 0.000 0.212 231 K C 2.319 178.972 176.600 0.088 0.000 1.050 231 K CA 2.227 58.589 56.287 0.125 0.000 0.929 231 K CB -0.423 32.025 32.500 -0.086 0.000 0.714 231 K HN 0.460 nan 8.250 nan 0.000 0.443 232 S N 0.335 116.027 115.700 -0.014 0.000 2.368 232 S HA -0.192 4.277 4.470 -0.001 0.000 0.224 232 S C 2.428 177.001 174.600 -0.045 0.000 1.029 232 S CA 1.102 59.288 58.200 -0.023 0.000 0.988 232 S CB -1.064 62.112 63.200 -0.039 0.000 0.838 232 S HN 0.565 nan 8.310 nan 0.000 0.462 233 C N 1.417 120.678 119.300 -0.065 0.000 2.376 233 C HA -0.075 4.385 4.460 -0.001 0.000 0.275 233 C C 2.600 177.494 174.990 -0.160 0.000 1.200 233 C CA 1.296 60.269 59.018 -0.075 0.000 1.756 233 C CB -1.707 26.012 27.740 -0.034 0.000 2.050 233 C HN 0.622 nan 8.230 nan 0.000 0.460 234 L N 0.345 121.441 121.223 -0.212 0.000 2.027 234 L HA -0.014 4.325 4.340 -0.001 0.000 0.206 234 L C 2.381 179.135 176.870 -0.195 0.000 1.074 234 L CA 1.784 56.474 54.840 -0.250 0.000 0.745 234 L CB -0.529 41.344 42.059 -0.310 0.000 0.898 234 L HN 0.377 nan 8.230 nan 0.000 0.433 235 I N -1.133 119.397 120.570 -0.068 0.000 2.127 235 I HA -0.359 3.811 4.170 -0.001 0.000 0.241 235 I C 2.515 178.536 176.117 -0.160 0.000 1.075 235 I CA 1.378 62.641 61.300 -0.062 0.000 1.334 235 I CB -0.360 37.666 38.000 0.044 0.000 1.040 235 I HN 0.357 nan 8.210 nan 0.000 0.405 236 Q N -0.107 119.563 119.800 -0.216 0.000 2.124 236 Q HA -0.178 4.162 4.340 -0.001 0.000 0.202 236 Q C 2.229 177.700 176.000 -0.882 0.000 0.977 236 Q CA 2.050 57.605 55.803 -0.413 0.000 0.850 236 Q CB -0.223 28.343 28.738 -0.287 0.000 0.901 236 Q HN 0.536 nan 8.270 nan 0.000 0.429 237 T N 0.773 114.893 114.554 -0.725 0.000 2.701 237 T HA -0.113 4.236 4.350 -0.001 0.000 0.263 237 T C 2.091 176.600 174.700 -0.319 0.000 1.040 237 T CA 1.609 63.341 62.100 -0.613 0.000 1.147 237 T CB -0.323 68.374 68.868 -0.285 0.000 0.865 237 T HN 0.343 nan 8.240 nan 0.000 0.426 238 V N 1.044 120.820 119.914 -0.230 0.000 2.515 238 V HA -0.044 4.075 4.120 -0.001 0.000 0.250 238 V C 1.818 177.865 176.094 -0.078 0.000 1.058 238 V CA 1.487 63.710 62.300 -0.128 0.000 1.064 238 V CB -0.774 30.989 31.823 -0.100 0.000 0.675 238 V HN 0.389 nan 8.190 nan 0.000 0.461 239 N N 0.534 119.175 118.700 -0.097 0.000 2.550 239 N HA -0.111 4.629 4.740 -0.001 0.000 0.186 239 N C 1.768 177.283 175.510 0.007 0.000 1.110 239 N CA 1.143 54.178 53.050 -0.025 0.000 0.912 239 N CB 0.084 38.562 38.487 -0.014 0.000 0.968 239 N HN 0.605 nan 8.380 nan 0.000 0.448 240 Q N 0.922 120.712 119.800 -0.017 0.000 2.311 240 Q HA 0.075 4.414 4.340 -0.001 0.000 0.203 240 Q C 0.849 176.917 176.000 0.114 0.000 0.954 240 Q CA 0.753 56.626 55.803 0.116 0.000 0.885 240 Q CB -0.123 28.754 28.738 0.232 0.000 0.963 240 Q HN 0.353 nan 8.270 nan 0.000 0.471 241 G N -1.691 107.145 108.800 0.060 0.000 2.553 241 G HA2 0.061 4.021 3.960 -0.001 0.000 0.242 241 G HA3 0.061 4.021 3.960 -0.001 0.000 0.242 241 G C 0.707 175.656 174.900 0.082 0.000 1.277 241 G CA 0.109 45.245 45.100 0.061 0.000 0.910 241 G HN 1.252 nan 8.290 nan 0.000 0.576 242 G N -0.355 108.512 108.800 0.112 0.000 2.531 242 G HA2 0.008 3.967 3.960 -0.001 0.000 0.274 242 G HA3 0.008 3.967 3.960 -0.001 0.000 0.274 242 G C 0.279 175.264 174.900 0.141 0.000 1.159 242 G CA 1.388 46.587 45.100 0.165 0.000 0.969 242 G HN 2.183 nan 8.290 nan 0.000 0.554 243 D N 1.937 122.417 120.400 0.134 0.000 2.619 243 D HA 0.632 5.272 4.640 -0.001 0.000 0.224 243 D C 1.493 177.780 176.300 -0.022 0.000 1.133 243 D CA 1.106 55.133 54.000 0.045 0.000 1.017 243 D CB -0.031 40.850 40.800 0.136 0.000 1.077 243 D HN 0.841 nan 8.370 nan 0.000 0.503 244 A N 2.217 124.993 122.820 -0.073 0.000 2.066 244 A HA -0.128 4.192 4.320 -0.001 0.000 0.218 244 A C 1.909 179.435 177.584 -0.097 0.000 1.157 244 A CA 0.746 52.737 52.037 -0.076 0.000 0.670 244 A CB -0.062 18.885 19.000 -0.089 0.000 0.804 244 A HN 0.408 nan 8.150 nan 0.000 0.453 245 D N -0.194 120.139 120.400 -0.111 0.000 2.116 245 D HA -0.129 4.510 4.640 -0.001 0.000 0.193 245 D C 1.781 178.037 176.300 -0.075 0.000 0.998 245 D CA 2.135 56.079 54.000 -0.093 0.000 0.836 245 D CB -0.256 40.496 40.800 -0.081 0.000 0.951 245 D HN 0.420 nan 8.370 nan 0.000 0.449 246 T N -0.107 114.413 114.554 -0.056 0.000 2.939 246 T HA -0.070 4.279 4.350 -0.001 0.000 0.254 246 T C 2.139 176.803 174.700 -0.061 0.000 1.041 246 T CA 1.627 63.695 62.100 -0.053 0.000 1.142 246 T CB -0.211 68.638 68.868 -0.031 0.000 0.874 246 T HN 0.297 nan 8.240 nan 0.000 0.452 247 T N 0.714 115.242 114.554 -0.044 0.000 2.720 247 T HA -0.061 4.288 4.350 -0.001 0.000 0.268 247 T C 2.288 176.936 174.700 -0.087 0.000 1.037 247 T CA 1.489 63.562 62.100 -0.045 0.000 1.144 247 T CB -1.113 67.755 68.868 -0.000 0.000 0.864 247 T HN 0.360 nan 8.240 nan 0.000 0.444 248 G N 1.400 110.138 108.800 -0.103 0.000 2.421 248 G HA2 0.065 4.024 3.960 -0.001 0.000 0.216 248 G HA3 0.065 4.024 3.960 -0.001 0.000 0.216 248 G C 1.963 176.786 174.900 -0.128 0.000 1.171 248 G CA 0.969 45.985 45.100 -0.140 0.000 0.775 248 G HN 0.758 nan 8.290 nan 0.000 0.543 249 A N 0.621 123.381 122.820 -0.100 0.000 1.883 249 A HA 0.043 4.362 4.320 -0.001 0.000 0.217 249 A C 2.451 179.976 177.584 -0.098 0.000 1.186 249 A CA 1.466 53.454 52.037 -0.081 0.000 0.624 249 A CB -0.466 18.488 19.000 -0.076 0.000 0.822 249 A HN 0.355 nan 8.150 nan 0.000 0.444 250 L N -1.074 120.077 121.223 -0.120 0.000 2.156 250 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 250 L C 3.062 179.821 176.870 -0.185 0.000 1.095 250 L CA 0.794 55.542 54.840 -0.153 0.000 0.770 250 L CB -0.551 41.416 42.059 -0.154 0.000 0.914 250 L HN 0.440 nan 8.230 nan 0.000 0.439 251 A N 0.573 123.292 122.820 -0.168 0.000 1.877 251 A HA -0.119 4.200 4.320 -0.001 0.000 0.216 251 A C 2.403 179.874 177.584 -0.188 0.000 1.186 251 A CA 1.755 53.683 52.037 -0.182 0.000 0.620 251 A CB -1.237 17.667 19.000 -0.160 0.000 0.822 251 A HN 0.416 nan 8.150 nan 0.000 0.443 252 G N -0.882 107.820 108.800 -0.163 0.000 2.422 252 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.218 252 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.218 252 G C 1.617 176.590 174.900 0.122 0.000 1.140 252 G CA 1.133 46.210 45.100 -0.038 0.000 0.775 252 G HN 0.493 nan 8.290 nan 0.000 0.545 253 M N -0.135 119.455 119.600 -0.016 0.000 2.067 253 M HA 0.004 4.483 4.480 -0.001 0.000 0.260 253 M C 2.485 178.726 176.300 -0.098 0.000 1.069 253 M CA 1.447 56.713 55.300 -0.057 0.000 1.117 253 M CB -0.205 32.311 32.600 -0.140 0.000 1.334 253 M HN 0.220 nan 8.290 nan 0.000 0.407 254 L N 0.016 121.104 121.223 -0.225 0.000 2.005 254 L HA -0.146 4.193 4.340 -0.001 0.000 0.207 254 L C 2.808 179.533 176.870 -0.241 0.000 1.072 254 L CA 1.282 55.876 54.840 -0.409 0.000 0.744 254 L CB -1.067 40.471 42.059 -0.869 0.000 0.895 254 L HN 0.414 nan 8.230 nan 0.000 0.433 255 A N 0.376 123.164 122.820 -0.053 0.000 1.908 255 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 255 A C 2.382 180.216 177.584 0.417 0.000 1.181 255 A CA 1.889 54.081 52.037 0.258 0.000 0.627 255 A CB -1.353 17.781 19.000 0.223 0.000 0.818 255 A HN 0.476 nan 8.150 nan 0.000 0.445 256 G N -0.746 108.323 108.800 0.448 0.000 2.422 256 G HA2 0.032 3.991 3.960 -0.001 0.000 0.218 256 G HA3 0.032 3.991 3.960 -0.001 0.000 0.218 256 G C 1.650 176.620 174.900 0.116 0.000 1.146 256 G CA 1.301 46.598 45.100 0.328 0.000 0.769 256 G HN 0.832 nan 8.290 nan 0.000 0.547 257 A N -0.062 122.779 122.820 0.036 0.000 2.066 257 A HA 0.128 4.448 4.320 -0.001 0.000 0.218 257 A C 2.462 180.018 177.584 -0.047 0.000 1.157 257 A CA 2.157 54.182 52.037 -0.020 0.000 0.670 257 A CB -0.410 18.558 19.000 -0.054 0.000 0.804 257 A HN 0.289 nan 8.150 nan 0.000 0.453 258 T N -1.465 113.022 114.554 -0.112 0.000 2.814 258 T HA -0.011 4.338 4.350 -0.001 0.000 0.254 258 T C 1.535 176.058 174.700 -0.295 0.000 1.037 258 T CA 1.572 63.503 62.100 -0.282 0.000 1.143 258 T CB -0.336 68.210 68.868 -0.536 0.000 0.866 258 T HN 0.564 nan 8.240 nan 0.000 0.431 259 Y N 1.093 121.475 120.300 0.137 0.000 2.503 259 Y HA 0.466 5.015 4.550 -0.001 0.000 0.277 259 Y C 1.586 177.519 175.900 0.055 0.000 1.102 259 Y CA -0.063 58.099 58.100 0.103 0.000 1.261 259 Y CB -0.153 38.394 38.460 0.144 0.000 1.096 259 Y HN 0.406 nan 8.280 nan 0.000 0.546 260 G N -0.252 108.638 108.800 0.150 0.000 2.612 260 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.686 260 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.686 260 G C 0.270 175.165 174.900 -0.009 0.000 1.274 260 G CA -0.406 44.728 45.100 0.056 0.000 0.849 260 G HN 0.120 nan 8.290 nan 0.000 0.595 261 V N 0.058 119.943 119.914 -0.047 0.000 2.515 261 V HA -0.036 4.083 4.120 -0.001 0.000 0.250 261 V C 2.327 178.353 176.094 -0.113 0.000 1.058 261 V CA 2.965 65.204 62.300 -0.102 0.000 1.064 261 V CB -0.461 31.316 31.823 -0.077 0.000 0.675 261 V HN 0.709 nan 8.190 nan 0.000 0.461 262 D N -0.206 120.156 120.400 -0.063 0.000 2.264 262 D HA -0.152 4.487 4.640 -0.001 0.000 0.208 262 D C 1.692 177.942 176.300 -0.083 0.000 0.966 262 D CA 1.521 55.485 54.000 -0.060 0.000 0.864 262 D CB -0.227 40.557 40.800 -0.026 0.000 0.933 262 D HN 0.582 nan 8.370 nan 0.000 0.499 263 D N -0.515 119.838 120.400 -0.078 0.000 2.363 263 D HA 0.035 4.675 4.640 -0.001 0.000 0.220 263 D C 0.279 176.457 176.300 -0.204 0.000 0.994 263 D CA 0.052 54.008 54.000 -0.072 0.000 0.890 263 D CB 0.240 41.082 40.800 0.070 0.000 0.906 263 D HN 0.138 nan 8.370 nan 0.000 0.530 264 I N 1.851 122.194 120.570 -0.378 0.000 2.452 264 I HA 0.155 4.324 4.170 -0.001 0.000 0.287 264 I C -1.928 174.028 176.117 -0.268 0.000 1.079 264 I CA -1.991 58.986 61.300 -0.537 0.000 1.387 264 I CB 0.879 38.545 38.000 -0.556 0.000 1.404 264 I HN -0.155 nan 8.210 nan 0.000 0.522 265 P HA -0.005 nan 4.420 nan 0.000 0.260 265 P C 0.526 177.692 177.300 -0.222 0.000 1.185 265 P CA 0.308 63.175 63.100 -0.388 0.000 0.763 265 P CB 0.519 31.656 31.700 -0.938 0.000 0.776 266 S N 2.889 118.489 115.700 -0.167 0.000 2.387 266 S HA -0.178 4.291 4.470 -0.001 0.000 0.230 266 S C 2.207 176.775 174.600 -0.053 0.000 1.035 266 S CA 1.652 59.798 58.200 -0.090 0.000 1.014 266 S CB -1.005 62.147 63.200 -0.080 0.000 0.836 266 S HN 0.703 nan 8.310 nan 0.000 0.466 267 G N 0.957 109.697 108.800 -0.100 0.000 2.446 267 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.217 267 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.217 267 G C 1.051 176.033 174.900 0.136 0.000 1.168 267 G CA 0.921 46.005 45.100 -0.026 0.000 0.771 267 G HN 0.470 nan 8.290 nan 0.000 0.551 268 W N 0.593 121.884 121.300 -0.015 0.000 2.378 268 W HA 0.156 4.816 4.660 -0.001 0.000 0.313 268 W C 2.578 179.090 176.519 -0.012 0.000 1.197 268 W CA 0.026 57.368 57.345 -0.005 0.000 1.304 268 W CB -1.425 28.050 29.460 0.026 0.000 1.148 268 W HN 0.108 nan 8.180 nan 0.000 0.494 269 L N 0.890 122.231 121.223 0.196 0.000 2.043 269 L HA -0.278 4.062 4.340 -0.001 0.000 0.212 269 L C 2.512 179.417 176.870 0.059 0.000 1.075 269 L CA 2.218 57.111 54.840 0.089 0.000 0.752 269 L CB -0.945 41.129 42.059 0.025 0.000 0.891 269 L HN 0.041 nan 8.230 nan 0.000 0.432 270 S N -1.404 114.328 115.700 0.054 0.000 2.453 270 S HA -0.087 4.382 4.470 -0.001 0.000 0.231 270 S C 1.752 176.376 174.600 0.039 0.000 1.005 270 S CA 0.391 58.611 58.200 0.034 0.000 0.949 270 S CB -0.122 63.092 63.200 0.023 0.000 0.774 270 S HN 0.320 nan 8.310 nan 0.000 0.510 271 K N 1.128 121.564 120.400 0.061 0.000 2.296 271 K HA 0.271 4.590 4.320 -0.001 0.000 0.200 271 K C 0.702 177.320 176.600 0.030 0.000 1.048 271 K CA -0.027 56.290 56.287 0.050 0.000 0.966 271 K CB -0.528 32.014 32.500 0.069 0.000 0.754 271 K HN 0.447 nan 8.250 nan 0.000 0.466 272 L N 2.543 123.785 121.223 0.031 0.000 2.514 272 L HA -0.062 4.277 4.340 -0.001 0.000 0.280 272 L C 0.594 177.467 176.870 0.006 0.000 1.223 272 L CA -0.253 54.596 54.840 0.014 0.000 0.864 272 L CB -0.047 42.020 42.059 0.014 0.000 1.118 272 L HN 0.130 nan 8.230 nan 0.000 0.494 273 D N 2.328 122.728 120.400 -0.000 0.000 2.525 273 D HA -0.116 4.524 4.640 -0.001 0.000 0.235 273 D C 0.975 177.271 176.300 -0.007 0.000 1.137 273 D CA 0.304 54.303 54.000 -0.003 0.000 0.868 273 D CB 0.807 41.605 40.800 -0.003 0.000 1.180 273 D HN 0.480 nan 8.370 nan 0.000 0.465 274 M N 3.484 123.081 119.600 -0.006 0.000 2.065 274 M HA -0.220 4.259 4.480 -0.001 0.000 0.259 274 M C 1.475 177.766 176.300 -0.016 0.000 1.069 274 M CA 1.642 56.936 55.300 -0.010 0.000 1.110 274 M CB 0.028 32.624 32.600 -0.006 0.000 1.328 274 M HN 0.385 nan 8.290 nan 0.000 0.405 275 K N -0.590 119.802 120.400 -0.013 0.000 2.211 275 K HA -0.083 4.237 4.320 -0.001 0.000 0.203 275 K C 1.724 178.308 176.600 -0.027 0.000 1.050 275 K CA 1.185 57.463 56.287 -0.016 0.000 0.945 275 K CB -0.125 32.371 32.500 -0.006 0.000 0.732 275 K HN 0.267 nan 8.250 nan 0.000 0.451 276 V N 1.426 121.324 119.914 -0.026 0.000 2.307 276 V HA -0.226 3.894 4.120 -0.001 0.000 0.245 276 V C 2.284 178.333 176.094 -0.075 0.000 1.045 276 V CA 1.773 64.047 62.300 -0.042 0.000 1.024 276 V CB -0.311 31.496 31.823 -0.025 0.000 0.651 276 V HN 0.373 nan 8.190 nan 0.000 0.449 277 E N 0.363 120.529 120.200 -0.057 0.000 2.106 277 E HA -0.267 4.083 4.350 -0.001 0.000 0.192 277 E C 2.414 178.965 176.600 -0.081 0.000 0.984 277 E CA 1.286 57.645 56.400 -0.069 0.000 0.806 277 E CB -0.055 29.622 29.700 -0.039 0.000 0.750 277 E HN 0.496 nan 8.360 nan 0.000 0.458 278 R N 0.645 121.109 120.500 -0.060 0.000 2.081 278 R HA -0.213 4.127 4.340 -0.001 0.000 0.235 278 R C 2.247 178.500 176.300 -0.079 0.000 1.131 278 R CA 1.925 57.992 56.100 -0.055 0.000 0.960 278 R CB -0.156 30.123 30.300 -0.035 0.000 0.856 278 R HN 0.031 nan 8.270 nan 0.000 0.436 279 E N 0.676 120.819 120.200 -0.095 0.000 2.047 279 E HA -0.142 4.208 4.350 -0.001 0.000 0.191 279 E C 1.829 178.294 176.600 -0.225 0.000 0.987 279 E CA 1.673 58.001 56.400 -0.121 0.000 0.799 279 E CB -0.225 29.416 29.700 -0.098 0.000 0.752 279 E HN 0.481 nan 8.360 nan 0.000 0.449 280 I N 0.263 120.640 120.570 -0.322 0.000 2.163 280 I HA -0.302 3.867 4.170 -0.001 0.000 0.243 280 I C 2.526 178.404 176.117 -0.399 0.000 1.085 280 I CA 1.489 62.426 61.300 -0.605 0.000 1.347 280 I CB -0.259 37.404 38.000 -0.561 0.000 1.044 280 I HN 0.085 nan 8.210 nan 0.000 0.408 281 R N -0.076 120.300 120.500 -0.207 0.000 2.120 281 R HA -0.143 4.197 4.340 -0.001 0.000 0.234 281 R C 2.427 178.696 176.300 -0.052 0.000 1.123 281 R CA 0.907 56.948 56.100 -0.099 0.000 0.975 281 R CB -0.326 29.946 30.300 -0.047 0.000 0.866 281 R HN 0.340 nan 8.270 nan 0.000 0.446 282 R N 1.099 121.556 120.500 -0.072 0.000 2.062 282 R HA -0.109 4.230 4.340 -0.001 0.000 0.229 282 R C 2.008 178.294 176.300 -0.022 0.000 1.128 282 R CA 1.449 57.528 56.100 -0.034 0.000 0.960 282 R CB 0.039 30.316 30.300 -0.039 0.000 0.855 282 R HN 0.308 nan 8.270 nan 0.000 0.432 283 Q N -0.184 119.574 119.800 -0.068 0.000 2.167 283 Q HA -0.100 4.239 4.340 -0.001 0.000 0.202 283 Q C 2.109 178.147 176.000 0.062 0.000 0.970 283 Q CA 1.315 57.112 55.803 -0.011 0.000 0.855 283 Q CB 0.157 28.864 28.738 -0.050 0.000 0.911 283 Q HN 0.198 nan 8.270 nan 0.000 0.438 284 V N 1.431 121.363 119.914 0.029 0.000 2.343 284 V HA -0.252 3.868 4.120 -0.001 0.000 0.247 284 V C 1.523 177.681 176.094 0.107 0.000 1.051 284 V CA 1.965 64.319 62.300 0.091 0.000 1.036 284 V CB -0.391 31.441 31.823 0.015 0.000 0.654 284 V HN 0.321 nan 8.190 nan 0.000 0.451 285 D N 0.323 120.789 120.400 0.110 0.000 2.097 285 D HA -0.098 4.542 4.640 -0.001 0.000 0.197 285 D C 2.247 178.599 176.300 0.086 0.000 0.984 285 D CA 1.623 55.695 54.000 0.120 0.000 0.826 285 D CB -0.480 40.377 40.800 0.096 0.000 0.973 285 D HN 0.408 nan 8.370 nan 0.000 0.460 286 A N 1.047 123.909 122.820 0.071 0.000 1.859 286 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 286 A C 2.102 179.741 177.584 0.091 0.000 1.198 286 A CA 1.264 53.342 52.037 0.069 0.000 0.629 286 A CB -0.798 18.237 19.000 0.059 0.000 0.830 286 A HN 0.146 nan 8.150 nan 0.000 0.446 287 L N -0.396 120.892 121.223 0.109 0.000 2.046 287 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 287 L C 2.549 179.481 176.870 0.104 0.000 1.077 287 L CA 1.309 56.223 54.840 0.124 0.000 0.747 287 L CB -1.257 40.889 42.059 0.144 0.000 0.896 287 L HN 0.378 nan 8.230 nan 0.000 0.432 288 L N -1.039 120.241 121.223 0.095 0.000 2.046 288 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 288 L C 2.625 179.538 176.870 0.071 0.000 1.077 288 L CA 1.300 56.187 54.840 0.077 0.000 0.747 288 L CB -0.665 41.458 42.059 0.107 0.000 0.896 288 L HN 0.275 nan 8.230 nan 0.000 0.432 289 A N -0.210 122.655 122.820 0.076 0.000 1.933 289 A HA -0.231 4.089 4.320 -0.001 0.000 0.218 289 A C 2.150 179.782 177.584 0.080 0.000 1.175 289 A CA 1.556 53.632 52.037 0.064 0.000 0.628 289 A CB -0.600 18.433 19.000 0.055 0.000 0.814 289 A HN 0.319 nan 8.150 nan 0.000 0.444 290 L N -0.036 121.250 121.223 0.106 0.000 1.961 290 L HA -0.071 4.269 4.340 -0.001 0.000 0.210 290 L C 2.714 179.707 176.870 0.205 0.000 1.072 290 L CA 2.444 57.377 54.840 0.155 0.000 0.749 290 L CB -1.181 40.995 42.059 0.195 0.000 0.889 290 L HN 0.360 nan 8.230 nan 0.000 0.432 291 A N -0.709 122.208 122.820 0.161 0.000 2.067 291 A HA -0.067 4.252 4.320 -0.001 0.000 0.224 291 A C 1.808 179.441 177.584 0.082 0.000 1.172 291 A CA 1.937 54.011 52.037 0.061 0.000 0.662 291 A CB -1.440 17.525 19.000 -0.057 0.000 0.814 291 A HN 1.359 nan 8.150 nan 0.000 0.468 292 G N -2.770 106.076 108.800 0.077 0.000 2.141 292 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.195 292 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.195 292 G C -0.129 174.784 174.900 0.020 0.000 1.012 292 G CA 0.204 45.335 45.100 0.051 0.000 0.696 292 G HN 0.676 nan 8.290 nan 0.000 0.508 293 L N 0.000 121.235 121.223 0.019 0.000 2.949 293 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 293 L CA 0.000 54.847 54.840 0.012 0.000 0.813 293 L CB 0.000 42.055 42.059 -0.007 0.000 0.961 293 L HN 0.000 nan 8.230 nan 0.000 0.502