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 1iqu_1_A DATA FIRST_RESID 2 DATA SEQUENCE GPLLVWHRGD LRLHDHPALL EALARGPVVG LVVLDPNNLK TTPRRRAWFL DATA SEQUENCE ENVRALREAY RARGGALWVL EGLPWEKVPE AARRLKAKAV YALTSHTPYG DATA SEQUENCE RYRDGRVREA LPVPLHLLPA PHLLPPDLPR AYRVYTPFSR LYRGAAPPLP DATA SEQUENCE PPEALPKGPE EGEIPREDPG LPLPEPGEEA ALAGLRAFLE AKLPRYAEER DATA SEQUENCE DRLDGEGGSR LSPYFALGVL SPRLAAWEAE RRGGEGARKW VAELLWRDFS DATA SEQUENCE YHLLYHFPWM AERPLDPRFQ AFPWQEDEAL FQAWYEGKTG VPLVDAAMRE DATA SEQUENCE LHATGFLSNR ARMNAAQFAV KHLLLPWKRC EEAFRHLLLD GDRAVNLQGW DATA SEQUENCE QWAGGLGVDA APYFRVFNPV LQGERHDPEG RWLKRWAPEY PSYAPKDPVV DATA SEQUENCE DLEEARRRYL RLARD 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 2 G C 0.000 174.903 174.900 0.004 0.000 0.946 2 G CA 0.000 45.101 45.100 0.002 0.000 0.502 3 P HA 0.565 nan 4.420 nan 0.000 0.277 3 P C -0.510 176.797 177.300 0.012 0.000 1.271 3 P CA -0.556 62.542 63.100 -0.004 0.000 0.795 3 P CB 1.492 33.176 31.700 -0.026 0.000 1.101 4 L N 0.290 121.534 121.223 0.034 0.000 2.329 4 L HA 0.438 4.778 4.340 -0.001 0.000 0.279 4 L C 0.371 177.286 176.870 0.075 0.000 1.014 4 L CA -0.933 53.971 54.840 0.106 0.000 0.814 4 L CB 1.277 43.421 42.059 0.143 0.000 1.257 4 L HN 0.217 nan 8.230 nan 0.000 0.424 5 L N 3.652 124.928 121.223 0.088 0.000 2.292 5 L HA 0.412 4.751 4.340 -0.001 0.000 0.284 5 L C -0.561 176.403 176.870 0.158 0.000 1.065 5 L CA -0.601 54.263 54.840 0.039 0.000 0.806 5 L CB 1.786 43.816 42.059 -0.049 0.000 1.175 5 L HN 0.309 nan 8.230 nan 0.000 0.431 6 V N 3.270 123.262 119.914 0.129 0.000 2.328 6 V HA 0.164 4.283 4.120 -0.001 0.000 0.278 6 V C -0.674 175.528 176.094 0.179 0.000 1.021 6 V CA -0.503 61.876 62.300 0.132 0.000 0.838 6 V CB 1.255 33.096 31.823 0.030 0.000 0.999 6 V HN 0.617 nan 8.190 nan 0.000 0.447 7 W N 6.764 128.060 121.300 -0.007 0.000 2.308 7 W HA 0.424 5.083 4.660 -0.001 0.000 0.311 7 W C 0.088 176.624 176.519 0.028 0.000 1.088 7 W CA -0.921 56.442 57.345 0.030 0.000 1.309 7 W CB -0.011 29.471 29.460 0.036 0.000 1.229 7 W HN 0.579 nan 8.180 nan 0.000 0.427 8 H N 6.364 125.632 119.070 0.331 0.000 2.580 8 H HA 0.290 4.846 4.556 -0.001 0.000 0.322 8 H C 0.104 175.490 175.328 0.096 0.000 1.082 8 H CA 0.016 56.175 56.048 0.184 0.000 1.383 8 H CB 1.691 31.567 29.762 0.190 0.000 1.450 8 H HN 0.322 nan 8.280 nan 0.000 0.505 9 R N 1.251 121.803 120.500 0.086 0.000 2.520 9 R HA 0.235 4.574 4.340 -0.001 0.000 0.108 9 R C 1.243 177.649 176.300 0.178 0.000 1.329 9 R CA 0.005 56.139 56.100 0.057 0.000 1.130 9 R CB -0.483 29.701 30.300 -0.193 0.000 0.965 9 R HN 0.631 nan 8.270 nan 0.000 0.405 10 G N 1.870 110.732 108.800 0.104 0.000 3.392 10 G HA2 0.089 4.048 3.960 -0.001 0.000 0.247 10 G HA3 0.089 4.048 3.960 -0.001 0.000 0.247 10 G C -0.753 174.228 174.900 0.134 0.000 1.161 10 G CA 0.140 45.326 45.100 0.143 0.000 1.739 10 G HN 0.565 nan 8.290 nan 0.000 0.619 11 D N 0.218 120.736 120.400 0.195 0.000 3.220 11 D HA -0.010 4.630 4.640 -0.001 0.000 0.309 11 D C 0.137 176.669 176.300 0.388 0.000 1.276 11 D CA -0.444 53.698 54.000 0.236 0.000 0.736 11 D CB -0.379 40.515 40.800 0.157 0.000 1.304 11 D HN 0.167 nan 8.370 nan 0.000 0.582 12 L N 2.045 123.406 121.223 0.230 0.000 2.391 12 L HA 0.280 4.619 4.340 -0.001 0.000 0.249 12 L C 0.552 177.488 176.870 0.110 0.000 1.308 12 L CA 0.181 55.088 54.840 0.113 0.000 1.209 12 L CB -0.696 41.352 42.059 -0.018 0.000 1.401 12 L HN 0.243 nan 8.230 nan 0.000 0.416 13 R N 0.554 121.185 120.500 0.218 0.000 2.728 13 R HA 0.505 4.845 4.340 -0.001 0.000 0.274 13 R C -0.575 175.878 176.300 0.255 0.000 1.030 13 R CA -1.024 55.198 56.100 0.204 0.000 0.876 13 R CB 1.108 31.535 30.300 0.212 0.000 1.259 13 R HN 0.075 nan 8.270 nan 0.000 0.468 14 L N -0.534 120.802 121.223 0.188 0.000 2.642 14 L HA 0.325 4.665 4.340 -0.001 0.000 0.233 14 L C 0.437 177.359 176.870 0.086 0.000 1.077 14 L CA -0.206 54.683 54.840 0.082 0.000 0.879 14 L CB 0.128 42.153 42.059 -0.056 0.000 1.151 14 L HN 0.510 nan 8.230 nan 0.000 0.495 15 H N 1.104 120.213 119.070 0.065 0.000 2.652 15 H HA -0.012 4.543 4.556 -0.001 0.000 0.349 15 H C -0.242 175.132 175.328 0.077 0.000 1.099 15 H CA -0.234 55.844 56.048 0.050 0.000 1.417 15 H CB 1.122 30.905 29.762 0.035 0.000 1.457 15 H HN -0.017 nan 8.280 nan 0.000 0.568 16 D N 1.880 122.357 120.400 0.129 0.000 2.802 16 D HA -0.239 4.401 4.640 -0.001 0.000 0.229 16 D C -0.819 175.530 176.300 0.082 0.000 1.203 16 D CA 0.803 54.847 54.000 0.075 0.000 0.712 16 D CB -1.222 39.620 40.800 0.070 0.000 0.973 16 D HN 0.482 nan 8.370 nan 0.000 0.407 17 H N 0.149 119.225 119.070 0.010 0.000 2.786 17 H HA 0.289 4.845 4.556 -0.001 0.000 0.284 17 H C -1.953 173.360 175.328 -0.025 0.000 1.104 17 H CA -1.892 54.161 56.048 0.008 0.000 1.339 17 H CB 1.511 31.297 29.762 0.039 0.000 1.427 17 H HN 0.063 nan 8.280 nan 0.000 0.497 18 P HA -0.139 nan 4.420 nan 0.000 0.216 18 P C 1.296 178.647 177.300 0.086 0.000 1.153 18 P CA 1.930 65.046 63.100 0.027 0.000 0.858 18 P CB 0.313 32.001 31.700 -0.021 0.000 0.789 19 A N -0.845 122.086 122.820 0.185 0.000 1.933 19 A HA -0.172 4.148 4.320 -0.001 0.000 0.218 19 A C 2.131 179.754 177.584 0.065 0.000 1.175 19 A CA 1.411 53.560 52.037 0.186 0.000 0.628 19 A CB -1.628 17.522 19.000 0.251 0.000 0.814 19 A HN 0.157 nan 8.150 nan 0.000 0.444 20 L N -0.185 121.096 121.223 0.097 0.000 2.017 20 L HA -0.097 4.243 4.340 -0.001 0.000 0.208 20 L C 2.246 179.053 176.870 -0.106 0.000 1.073 20 L CA 1.772 56.551 54.840 -0.102 0.000 0.745 20 L CB -0.460 41.484 42.059 -0.191 0.000 0.894 20 L HN 0.395 nan 8.230 nan 0.000 0.432 21 L N -0.881 120.305 121.223 -0.062 0.000 2.109 21 L HA -0.137 4.203 4.340 -0.001 0.000 0.207 21 L C 2.526 179.309 176.870 -0.144 0.000 1.086 21 L CA 1.144 55.928 54.840 -0.094 0.000 0.760 21 L CB -0.558 41.464 42.059 -0.063 0.000 0.910 21 L HN 0.330 nan 8.230 nan 0.000 0.437 22 E N 0.758 120.863 120.200 -0.159 0.000 2.085 22 E HA -0.219 4.131 4.350 -0.001 0.000 0.194 22 E C 2.102 178.415 176.600 -0.478 0.000 0.994 22 E CA 1.666 57.926 56.400 -0.234 0.000 0.801 22 E CB -0.009 29.602 29.700 -0.148 0.000 0.743 22 E HN 0.391 nan 8.360 nan 0.000 0.453 23 A N 0.194 122.615 122.820 -0.665 0.000 1.898 23 A HA -0.025 4.295 4.320 -0.001 0.000 0.214 23 A C 2.288 179.675 177.584 -0.327 0.000 1.183 23 A CA 0.903 52.477 52.037 -0.772 0.000 0.622 23 A CB -0.657 17.944 19.000 -0.664 0.000 0.824 23 A HN 0.349 nan 8.150 nan 0.000 0.444 24 L N -0.530 120.560 121.223 -0.222 0.000 2.127 24 L HA -0.221 4.119 4.340 -0.001 0.000 0.211 24 L C 2.916 179.717 176.870 -0.115 0.000 1.089 24 L CA 1.113 55.872 54.840 -0.134 0.000 0.757 24 L CB -0.333 41.658 42.059 -0.114 0.000 0.899 24 L HN 0.468 nan 8.230 nan 0.000 0.434 25 A N -0.446 122.295 122.820 -0.131 0.000 2.067 25 A HA -0.165 4.154 4.320 -0.001 0.000 0.219 25 A C 2.236 179.771 177.584 -0.082 0.000 1.158 25 A CA 1.144 53.123 52.037 -0.097 0.000 0.661 25 A CB -0.316 18.628 19.000 -0.095 0.000 0.801 25 A HN 0.392 nan 8.150 nan 0.000 0.452 26 R N -1.594 118.845 120.500 -0.101 0.000 2.223 26 R HA 0.325 4.665 4.340 -0.001 0.000 0.198 26 R C 0.921 177.200 176.300 -0.035 0.000 0.984 26 R CA 0.589 56.654 56.100 -0.058 0.000 1.018 26 R CB 0.313 30.586 30.300 -0.045 0.000 0.945 26 R HN 0.526 nan 8.270 nan 0.000 0.479 27 G N 0.515 109.286 108.800 -0.048 0.000 2.323 27 G HA2 0.070 4.030 3.960 -0.001 0.000 0.291 27 G HA3 0.070 4.030 3.960 -0.001 0.000 0.291 27 G C -3.014 171.869 174.900 -0.028 0.000 1.278 27 G CA -1.073 44.012 45.100 -0.026 0.000 0.860 27 G HN -0.221 nan 8.290 nan 0.000 0.504 28 P HA 0.436 nan 4.420 nan 0.000 0.271 28 P C 0.065 177.365 177.300 -0.001 0.000 1.218 28 P CA 0.077 63.174 63.100 -0.005 0.000 0.780 28 P CB 1.487 33.191 31.700 0.005 0.000 0.901 29 V N 0.633 120.553 119.914 0.009 0.000 3.046 29 V HA 0.762 4.881 4.120 -0.001 0.000 0.316 29 V C -0.736 175.393 176.094 0.059 0.000 1.104 29 V CA -0.994 61.321 62.300 0.025 0.000 1.006 29 V CB 2.195 34.031 31.823 0.022 0.000 1.058 29 V HN 0.280 nan 8.190 nan 0.000 0.440 30 V N 1.538 121.475 119.914 0.038 0.000 2.623 30 V HA 0.787 4.907 4.120 -0.001 0.000 0.304 30 V C 0.738 176.842 176.094 0.016 0.000 1.054 30 V CA 0.245 62.552 62.300 0.012 0.000 0.882 30 V CB 1.540 33.261 31.823 -0.170 0.000 1.002 30 V HN 1.375 nan 8.190 nan 0.000 0.424 31 G N 2.795 111.623 108.800 0.046 0.000 2.537 31 G HA2 0.652 4.612 3.960 -0.001 0.000 0.273 31 G HA3 0.652 4.612 3.960 -0.001 0.000 0.273 31 G C -1.266 173.617 174.900 -0.028 0.000 1.189 31 G CA -0.304 44.808 45.100 0.021 0.000 0.881 31 G HN 0.744 nan 8.290 nan 0.000 0.535 32 L N 0.673 121.973 121.223 0.129 0.000 2.513 32 L HA 0.691 5.031 4.340 -0.001 0.000 0.261 32 L C -1.203 175.838 176.870 0.286 0.000 0.945 32 L CA -0.584 54.334 54.840 0.129 0.000 0.848 32 L CB 2.370 44.429 42.059 0.001 0.000 1.334 32 L HN 0.419 nan 8.230 nan 0.000 0.407 33 V N 4.738 124.782 119.914 0.217 0.000 2.656 33 V HA 0.675 4.795 4.120 -0.001 0.000 0.307 33 V C -0.859 175.377 176.094 0.236 0.000 1.051 33 V CA -0.667 61.810 62.300 0.297 0.000 0.893 33 V CB 2.253 34.179 31.823 0.171 0.000 0.999 33 V HN 0.540 nan 8.190 nan 0.000 0.426 34 V N 5.611 125.717 119.914 0.321 0.000 2.409 34 V HA 0.433 4.553 4.120 -0.001 0.000 0.291 34 V C -0.169 176.072 176.094 0.244 0.000 1.020 34 V CA -0.565 61.854 62.300 0.198 0.000 0.848 34 V CB 1.750 33.643 31.823 0.116 0.000 0.990 34 V HN 0.648 nan 8.190 nan 0.000 0.430 35 L N 4.513 125.844 121.223 0.181 0.000 2.363 35 L HA 0.364 4.703 4.340 -0.001 0.000 0.286 35 L C 0.082 177.008 176.870 0.092 0.000 1.106 35 L CA -0.001 54.956 54.840 0.196 0.000 0.859 35 L CB 0.228 42.387 42.059 0.166 0.000 1.223 35 L HN 0.573 nan 8.230 nan 0.000 0.446 36 D N 6.264 126.709 120.400 0.075 0.000 2.249 36 D HA 0.187 4.827 4.640 -0.001 0.000 0.246 36 D C -1.401 174.889 176.300 -0.017 0.000 1.114 36 D CA -2.097 51.922 54.000 0.030 0.000 0.854 36 D CB 2.081 42.946 40.800 0.109 0.000 1.132 36 D HN 0.201 nan 8.370 nan 0.000 0.461 37 P HA -0.131 nan 4.420 nan 0.000 0.218 37 P C 0.791 178.051 177.300 -0.067 0.000 1.148 37 P CA 0.715 63.793 63.100 -0.036 0.000 0.822 37 P CB 0.495 32.180 31.700 -0.025 0.000 0.784 38 N N -0.293 118.352 118.700 -0.092 0.000 2.364 38 N HA -0.077 4.662 4.740 -0.001 0.000 0.183 38 N C 1.287 176.657 175.510 -0.232 0.000 1.022 38 N CA 0.855 53.774 53.050 -0.218 0.000 0.883 38 N CB -0.205 37.991 38.487 -0.485 0.000 0.965 38 N HN 0.289 nan 8.380 nan 0.000 0.438 39 N N 0.080 118.679 118.700 -0.168 0.000 2.516 39 N HA 0.143 4.883 4.740 -0.001 0.000 0.197 39 N C 1.657 177.062 175.510 -0.174 0.000 1.064 39 N CA 0.014 52.955 53.050 -0.181 0.000 0.866 39 N CB 0.190 38.538 38.487 -0.231 0.000 1.255 39 N HN 0.148 nan 8.380 nan 0.000 0.447 40 L N 0.874 122.014 121.223 -0.138 0.000 2.478 40 L HA 0.084 4.424 4.340 -0.001 0.000 0.223 40 L C 0.514 177.357 176.870 -0.046 0.000 1.140 40 L CA 0.610 55.405 54.840 -0.075 0.000 0.842 40 L CB -0.035 42.018 42.059 -0.009 0.000 0.953 40 L HN -0.120 nan 8.230 nan 0.000 0.452 41 K N 0.833 121.196 120.400 -0.062 0.000 2.278 41 K HA 0.105 4.425 4.320 -0.001 0.000 0.237 41 K C 0.121 176.669 176.600 -0.086 0.000 1.229 41 K CA -0.042 56.210 56.287 -0.057 0.000 1.155 41 K CB 0.209 32.678 32.500 -0.052 0.000 1.590 41 K HN 0.030 nan 8.250 nan 0.000 0.290 42 T N -1.031 113.470 114.554 -0.088 0.000 2.626 42 T HA 0.223 4.573 4.350 -0.001 0.000 0.279 42 T C -0.404 174.228 174.700 -0.114 0.000 0.983 42 T CA -0.587 61.422 62.100 -0.152 0.000 1.059 42 T CB 1.018 69.815 68.868 -0.118 0.000 1.396 42 T HN 0.403 nan 8.240 nan 0.000 0.519 43 T N 1.247 115.721 114.554 -0.133 0.000 2.932 43 T HA 0.273 4.623 4.350 -0.001 0.000 0.312 43 T C -1.825 172.880 174.700 0.008 0.000 1.071 43 T CA -0.783 61.287 62.100 -0.050 0.000 1.128 43 T CB 0.276 69.132 68.868 -0.020 0.000 0.984 43 T HN 0.353 nan 8.240 nan 0.000 0.549 44 P HA -0.204 nan 4.420 nan 0.000 0.216 44 P C 1.771 179.114 177.300 0.071 0.000 1.153 44 P CA 1.451 64.580 63.100 0.047 0.000 0.858 44 P CB -0.047 31.678 31.700 0.042 0.000 0.789 45 R N 0.107 120.643 120.500 0.060 0.000 2.105 45 R HA -0.091 4.248 4.340 -0.001 0.000 0.239 45 R C 2.036 178.413 176.300 0.128 0.000 1.135 45 R CA 1.463 57.605 56.100 0.070 0.000 0.967 45 R CB -0.781 29.533 30.300 0.022 0.000 0.861 45 R HN 0.169 nan 8.270 nan 0.000 0.442 46 R N 0.234 120.810 120.500 0.127 0.000 2.100 46 R HA 0.039 4.379 4.340 -0.001 0.000 0.220 46 R C 2.517 178.963 176.300 0.245 0.000 1.091 46 R CA 1.111 57.332 56.100 0.202 0.000 0.986 46 R CB -0.290 30.096 30.300 0.144 0.000 0.888 46 R HN 0.260 nan 8.270 nan 0.000 0.444 47 R N 1.154 121.755 120.500 0.169 0.000 2.073 47 R HA -0.095 4.245 4.340 -0.001 0.000 0.234 47 R C 2.155 178.595 176.300 0.235 0.000 1.134 47 R CA 1.592 57.803 56.100 0.185 0.000 0.952 47 R CB -0.239 30.127 30.300 0.111 0.000 0.850 47 R HN 0.198 nan 8.270 nan 0.000 0.433 48 A N 0.858 123.795 122.820 0.195 0.000 1.877 48 A HA -0.219 4.101 4.320 -0.001 0.000 0.216 48 A C 2.104 179.832 177.584 0.239 0.000 1.186 48 A CA 1.266 53.410 52.037 0.178 0.000 0.620 48 A CB -1.359 17.731 19.000 0.150 0.000 0.822 48 A HN 0.762 nan 8.150 nan 0.000 0.443 49 W N -0.439 120.904 121.300 0.071 0.000 2.338 49 W HA -0.274 4.386 4.660 -0.001 0.000 0.304 49 W C 1.898 178.468 176.519 0.086 0.000 1.212 49 W CA 1.764 59.141 57.345 0.053 0.000 1.264 49 W CB -0.295 29.194 29.460 0.048 0.000 1.142 49 W HN 0.411 nan 8.180 nan 0.000 0.512 50 F N 1.266 121.210 119.950 -0.011 0.000 2.051 50 F HA -0.207 4.320 4.527 -0.000 0.000 0.296 50 F C 2.330 178.056 175.800 -0.123 0.000 1.122 50 F CA 2.199 60.124 58.000 -0.125 0.000 1.201 50 F CB -1.083 37.915 39.000 -0.003 0.000 0.978 50 F HN -0.255 nan 8.300 nan 0.000 0.472 51 L N 0.184 121.317 121.223 -0.151 0.000 2.013 51 L HA -0.242 4.098 4.340 -0.001 0.000 0.212 51 L C 2.530 179.249 176.870 -0.251 0.000 1.073 51 L CA 1.541 56.247 54.840 -0.223 0.000 0.753 51 L CB -0.824 41.229 42.059 -0.010 0.000 0.890 51 L HN 0.135 nan 8.230 nan 0.000 0.432 52 E N -0.183 119.914 120.200 -0.171 0.000 2.153 52 E HA -0.154 4.196 4.350 -0.001 0.000 0.194 52 E C 1.865 178.307 176.600 -0.263 0.000 0.988 52 E CA 0.806 57.115 56.400 -0.151 0.000 0.811 52 E CB -0.411 29.270 29.700 -0.031 0.000 0.746 52 E HN 0.513 nan 8.360 nan 0.000 0.466 53 N N 0.350 118.783 118.700 -0.446 0.000 2.409 53 N HA -0.062 4.677 4.740 -0.001 0.000 0.179 53 N C 1.822 177.112 175.510 -0.366 0.000 1.032 53 N CA 0.406 53.185 53.050 -0.451 0.000 0.898 53 N CB 0.339 38.444 38.487 -0.636 0.000 0.971 53 N HN 0.018 nan 8.380 nan 0.000 0.441 54 V N 1.273 120.912 119.914 -0.457 0.000 2.453 54 V HA -0.124 3.996 4.120 -0.001 0.000 0.247 54 V C 2.526 178.479 176.094 -0.236 0.000 1.048 54 V CA 1.194 63.259 62.300 -0.391 0.000 1.049 54 V CB -0.371 31.151 31.823 -0.502 0.000 0.672 54 V HN 0.234 nan 8.190 nan 0.000 0.457 55 R N 0.544 120.924 120.500 -0.200 0.000 2.081 55 R HA -0.147 4.193 4.340 -0.001 0.000 0.235 55 R C 2.238 178.482 176.300 -0.093 0.000 1.131 55 R CA 1.669 57.695 56.100 -0.123 0.000 0.960 55 R CB -0.419 29.825 30.300 -0.093 0.000 0.856 55 R HN 0.466 nan 8.270 nan 0.000 0.436 56 A N 0.927 123.684 122.820 -0.105 0.000 1.933 56 A HA -0.139 4.181 4.320 -0.001 0.000 0.218 56 A C 2.000 179.558 177.584 -0.044 0.000 1.175 56 A CA 1.083 53.081 52.037 -0.065 0.000 0.628 56 A CB -0.491 18.466 19.000 -0.071 0.000 0.814 56 A HN 0.388 nan 8.150 nan 0.000 0.444 57 L N -0.051 121.126 121.223 -0.076 0.000 2.056 57 L HA -0.086 4.253 4.340 -0.001 0.000 0.207 57 L C 2.453 179.353 176.870 0.050 0.000 1.078 57 L CA 2.346 57.169 54.840 -0.029 0.000 0.749 57 L CB -0.608 41.374 42.059 -0.129 0.000 0.901 57 L HN 0.495 nan 8.230 nan 0.000 0.433 58 R N -0.712 119.766 120.500 -0.037 0.000 2.083 58 R HA -0.177 4.163 4.340 -0.001 0.000 0.237 58 R C 2.083 178.417 176.300 0.057 0.000 1.137 58 R CA 1.591 57.678 56.100 -0.021 0.000 0.951 58 R CB -0.208 30.051 30.300 -0.068 0.000 0.851 58 R HN 0.355 nan 8.270 nan 0.000 0.434 59 E N 0.457 120.672 120.200 0.025 0.000 2.085 59 E HA -0.186 4.164 4.350 -0.001 0.000 0.194 59 E C 1.892 178.524 176.600 0.054 0.000 0.994 59 E CA 1.423 57.841 56.400 0.031 0.000 0.801 59 E CB -0.340 29.366 29.700 0.010 0.000 0.743 59 E HN 0.517 nan 8.360 nan 0.000 0.453 60 A N 0.164 123.022 122.820 0.064 0.000 1.933 60 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 60 A C 2.059 179.677 177.584 0.057 0.000 1.175 60 A CA 1.206 53.273 52.037 0.050 0.000 0.628 60 A CB -0.730 18.295 19.000 0.042 0.000 0.814 60 A HN 0.227 nan 8.150 nan 0.000 0.444 61 Y N -0.263 120.020 120.300 -0.027 0.000 2.163 61 Y HA -0.141 4.409 4.550 -0.000 0.000 0.288 61 Y C 2.697 178.595 175.900 -0.004 0.000 1.136 61 Y CA 1.895 59.987 58.100 -0.014 0.000 1.147 61 Y CB -0.272 38.183 38.460 -0.008 0.000 0.987 61 Y HN 0.219 nan 8.280 nan 0.000 0.509 62 R N -0.417 120.181 120.500 0.162 0.000 2.083 62 R HA -0.200 4.140 4.340 -0.001 0.000 0.237 62 R C 2.447 178.777 176.300 0.050 0.000 1.137 62 R CA 1.294 57.447 56.100 0.088 0.000 0.951 62 R CB -0.713 29.622 30.300 0.057 0.000 0.851 62 R HN 0.320 nan 8.270 nan 0.000 0.434 63 A N 0.968 123.809 122.820 0.036 0.000 2.024 63 A HA -0.167 4.152 4.320 -0.001 0.000 0.220 63 A C 1.765 179.350 177.584 0.003 0.000 1.164 63 A CA 1.311 53.357 52.037 0.016 0.000 0.643 63 A CB -0.265 18.742 19.000 0.011 0.000 0.806 63 A HN 0.250 nan 8.150 nan 0.000 0.451 64 R N -1.849 118.648 120.500 -0.006 0.000 2.393 64 R HA 0.263 4.603 4.340 -0.001 0.000 0.244 64 R C 1.146 177.440 176.300 -0.010 0.000 0.920 64 R CA 0.483 56.566 56.100 -0.028 0.000 1.076 64 R CB 0.125 30.377 30.300 -0.080 0.000 1.119 64 R HN 0.645 nan 8.270 nan 0.000 0.524 65 G N 0.389 109.200 108.800 0.019 0.000 2.159 65 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.256 65 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.256 65 G C 0.339 175.275 174.900 0.061 0.000 0.977 65 G CA -0.046 45.074 45.100 0.032 0.000 0.652 65 G HN 0.532 nan 8.290 nan 0.000 0.531 66 G N -0.755 108.101 108.800 0.093 0.000 2.511 66 G HA2 0.827 4.787 3.960 -0.001 0.000 0.316 66 G HA3 0.827 4.787 3.960 -0.001 0.000 0.316 66 G C -0.071 174.990 174.900 0.269 0.000 1.210 66 G CA 0.158 45.367 45.100 0.182 0.000 0.969 66 G HN 1.545 nan 8.290 nan 0.000 0.492 67 A N 0.181 123.181 122.820 0.301 0.000 2.318 67 A HA 0.654 4.974 4.320 -0.001 0.000 0.317 67 A C -0.815 176.810 177.584 0.068 0.000 1.159 67 A CA -0.544 51.618 52.037 0.209 0.000 0.799 67 A CB 1.204 20.340 19.000 0.226 0.000 1.194 67 A HN 0.658 nan 8.150 nan 0.000 0.479 68 L N 3.392 124.556 121.223 -0.099 0.000 2.316 68 L HA 0.489 4.828 4.340 -0.001 0.000 0.280 68 L C -1.538 175.358 176.870 0.042 0.000 1.006 68 L CA -0.370 54.273 54.840 -0.328 0.000 0.836 68 L CB 0.833 42.482 42.059 -0.683 0.000 1.221 68 L HN 0.866 nan 8.230 nan 0.000 0.418 69 W N 4.486 125.680 121.300 -0.177 0.000 2.313 69 W HA 0.491 5.150 4.660 -0.001 0.000 0.328 69 W C -0.211 176.250 176.519 -0.097 0.000 1.197 69 W CA -0.447 56.833 57.345 -0.109 0.000 1.235 69 W CB 1.414 30.826 29.460 -0.079 0.000 1.158 69 W HN 0.112 nan 8.180 nan 0.000 0.578 70 V N 5.143 125.124 119.914 0.112 0.000 2.482 70 V HA 0.444 4.564 4.120 -0.001 0.000 0.295 70 V C -0.329 175.794 176.094 0.048 0.000 1.026 70 V CA -0.966 61.370 62.300 0.060 0.000 0.856 70 V CB 0.990 32.809 31.823 -0.006 0.000 1.001 70 V HN 0.341 nan 8.190 nan 0.000 0.424 71 L N 3.335 124.601 121.223 0.071 0.000 2.341 71 L HA 0.704 5.044 4.340 -0.001 0.000 0.267 71 L C -0.277 176.610 176.870 0.029 0.000 1.009 71 L CA -0.610 54.254 54.840 0.040 0.000 0.819 71 L CB 2.651 44.742 42.059 0.052 0.000 1.323 71 L HN 0.610 nan 8.230 nan 0.000 0.425 72 E N 0.350 120.554 120.200 0.006 0.000 2.195 72 E HA 0.679 5.029 4.350 -0.001 0.000 0.271 72 E C -0.401 176.181 176.600 -0.030 0.000 0.923 72 E CA -0.173 56.230 56.400 0.005 0.000 0.790 72 E CB 2.108 31.812 29.700 0.006 0.000 1.155 72 E HN 0.763 nan 8.360 nan 0.000 0.402 73 G N 2.173 110.945 108.800 -0.047 0.000 2.315 73 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.296 73 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.296 73 G C -1.296 173.490 174.900 -0.189 0.000 1.289 73 G CA -0.955 44.084 45.100 -0.102 0.000 0.996 73 G HN 0.500 nan 8.290 nan 0.000 0.487 74 L N 1.564 122.590 121.223 -0.329 0.000 2.360 74 L HA 0.251 4.590 4.340 -0.001 0.000 0.276 74 L C -1.166 175.276 176.870 -0.713 0.000 1.121 74 L CA -1.477 52.943 54.840 -0.699 0.000 0.845 74 L CB 1.396 42.847 42.059 -1.014 0.000 1.143 74 L HN 0.345 nan 8.230 nan 0.000 0.452 75 P HA -0.207 nan 4.420 nan 0.000 0.216 75 P C 1.010 178.169 177.300 -0.234 0.000 1.154 75 P CA 1.640 64.570 63.100 -0.282 0.000 0.865 75 P CB -0.006 31.762 31.700 0.113 0.000 0.789 76 W N -0.310 120.970 121.300 -0.033 0.000 2.848 76 W HA 0.091 4.751 4.660 -0.001 0.000 0.241 76 W C 1.305 177.786 176.519 -0.063 0.000 1.289 76 W CA 0.279 57.585 57.345 -0.066 0.000 1.396 76 W CB -1.111 28.318 29.460 -0.051 0.000 1.138 76 W HN 0.061 nan 8.180 nan 0.000 0.677 77 E N 0.552 120.645 120.200 -0.178 0.000 2.306 77 E HA -0.034 4.316 4.350 -0.001 0.000 0.201 77 E C 2.085 178.610 176.600 -0.124 0.000 0.874 77 E CA 0.096 56.434 56.400 -0.102 0.000 0.972 77 E CB -0.039 29.585 29.700 -0.127 0.000 0.957 77 E HN -0.001 nan 8.360 nan 0.000 0.492 78 K N 1.100 121.387 120.400 -0.188 0.000 2.103 78 K HA -0.003 4.317 4.320 -0.001 0.000 0.204 78 K C 2.237 178.713 176.600 -0.208 0.000 1.052 78 K CA 0.617 56.806 56.287 -0.162 0.000 0.945 78 K CB -0.369 32.036 32.500 -0.158 0.000 0.722 78 K HN -0.004 nan 8.250 nan 0.000 0.443 79 V N 1.823 121.539 119.914 -0.330 0.000 2.295 79 V HA -0.162 3.957 4.120 -0.001 0.000 0.246 79 V C -0.922 175.018 176.094 -0.257 0.000 1.049 79 V CA 1.767 63.809 62.300 -0.429 0.000 1.024 79 V CB -1.224 30.175 31.823 -0.707 0.000 0.648 79 V HN 0.156 nan 8.190 nan 0.000 0.447 80 P HA -0.171 nan 4.420 nan 0.000 0.217 80 P C 1.675 178.919 177.300 -0.092 0.000 1.150 80 P CA 1.488 64.522 63.100 -0.112 0.000 0.832 80 P CB 0.060 31.722 31.700 -0.063 0.000 0.787 81 E N -0.072 120.081 120.200 -0.078 0.000 2.038 81 E HA -0.235 4.114 4.350 -0.001 0.000 0.195 81 E C 1.944 178.523 176.600 -0.035 0.000 1.000 81 E CA 1.456 57.834 56.400 -0.036 0.000 0.803 81 E CB -0.589 29.102 29.700 -0.016 0.000 0.750 81 E HN 0.049 nan 8.360 nan 0.000 0.448 82 A N 1.234 124.009 122.820 -0.075 0.000 1.908 82 A HA -0.164 4.155 4.320 -0.001 0.000 0.218 82 A C 2.412 179.840 177.584 -0.260 0.000 1.181 82 A CA 2.119 54.049 52.037 -0.177 0.000 0.627 82 A CB -0.873 17.968 19.000 -0.264 0.000 0.818 82 A HN 0.451 nan 8.150 nan 0.000 0.445 83 A N -0.350 122.351 122.820 -0.199 0.000 1.902 83 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 83 A C 2.277 179.792 177.584 -0.114 0.000 1.181 83 A CA 1.550 53.488 52.037 -0.164 0.000 0.623 83 A CB -0.473 18.447 19.000 -0.132 0.000 0.818 83 A HN 0.558 nan 8.150 nan 0.000 0.443 84 R N -0.726 119.727 120.500 -0.079 0.000 2.070 84 R HA -0.093 4.247 4.340 -0.001 0.000 0.233 84 R C 2.459 178.743 176.300 -0.027 0.000 1.137 84 R CA 1.586 57.661 56.100 -0.042 0.000 0.945 84 R CB -0.356 29.930 30.300 -0.022 0.000 0.845 84 R HN 0.500 nan 8.270 nan 0.000 0.430 85 R N 0.498 120.992 120.500 -0.009 0.000 2.105 85 R HA -0.087 4.252 4.340 -0.001 0.000 0.239 85 R C 2.108 178.422 176.300 0.023 0.000 1.135 85 R CA 1.124 57.257 56.100 0.055 0.000 0.967 85 R CB -0.224 30.190 30.300 0.190 0.000 0.861 85 R HN 0.223 nan 8.270 nan 0.000 0.442 86 L N 0.298 121.460 121.223 -0.101 0.000 2.567 86 L HA 0.091 4.431 4.340 -0.001 0.000 0.225 86 L C 0.246 177.071 176.870 -0.074 0.000 1.119 86 L CA 0.136 54.900 54.840 -0.126 0.000 0.871 86 L CB 0.074 41.944 42.059 -0.316 0.000 1.036 86 L HN 0.103 nan 8.230 nan 0.000 0.459 87 K N 0.191 120.555 120.400 -0.060 0.000 3.096 87 K HA -0.178 4.142 4.320 -0.001 0.000 0.266 87 K C 0.265 176.839 176.600 -0.044 0.000 1.043 87 K CA 0.312 56.576 56.287 -0.039 0.000 0.758 87 K CB -1.551 30.939 32.500 -0.017 0.000 1.260 87 K HN 0.347 nan 8.250 nan 0.000 0.481 88 A N 0.977 123.755 122.820 -0.070 0.000 2.462 88 A HA 0.107 4.427 4.320 -0.001 0.000 0.243 88 A C 1.132 178.701 177.584 -0.026 0.000 1.076 88 A CA 0.032 52.037 52.037 -0.055 0.000 0.773 88 A CB 0.393 19.342 19.000 -0.086 0.000 1.010 88 A HN 0.375 nan 8.150 nan 0.000 0.493 89 K N 0.840 121.245 120.400 0.008 0.000 2.167 89 K HA 0.267 4.587 4.320 -0.001 0.000 0.203 89 K C 0.584 177.195 176.600 0.018 0.000 1.052 89 K CA 1.313 57.614 56.287 0.022 0.000 0.956 89 K CB -0.006 32.526 32.500 0.053 0.000 0.735 89 K HN 0.840 nan 8.250 nan 0.000 0.451 90 A N 0.032 122.874 122.820 0.036 0.000 2.586 90 A HA 0.539 4.858 4.320 -0.001 0.000 0.290 90 A C -1.613 175.963 177.584 -0.014 0.000 1.086 90 A CA -0.775 51.242 52.037 -0.032 0.000 0.665 90 A CB 1.435 20.426 19.000 -0.015 0.000 1.279 90 A HN -0.124 nan 8.150 nan 0.000 0.423 91 V N 0.751 120.583 119.914 -0.137 0.000 2.495 91 V HA 0.587 4.707 4.120 -0.001 0.000 0.298 91 V C -1.467 174.568 176.094 -0.099 0.000 1.031 91 V CA -0.351 61.939 62.300 -0.016 0.000 0.871 91 V CB 1.298 33.121 31.823 -0.000 0.000 0.988 91 V HN 0.731 nan 8.190 nan 0.000 0.432 92 Y N 2.483 122.866 120.300 0.139 0.000 2.393 92 Y HA 0.846 5.396 4.550 -0.000 0.000 0.341 92 Y C 0.340 176.315 175.900 0.125 0.000 0.988 92 Y CA -0.372 57.813 58.100 0.142 0.000 1.078 92 Y CB 2.212 40.736 38.460 0.108 0.000 1.203 92 Y HN 0.821 nan 8.280 nan 0.000 0.453 93 A N 2.413 125.358 122.820 0.208 0.000 2.588 93 A HA 0.811 5.131 4.320 -0.001 0.000 0.290 93 A C -1.934 175.653 177.584 0.005 0.000 1.136 93 A CA -0.904 51.172 52.037 0.065 0.000 0.681 93 A CB 1.250 20.199 19.000 -0.085 0.000 1.282 93 A HN 0.676 nan 8.150 nan 0.000 0.421 94 L N 1.262 122.433 121.223 -0.088 0.000 2.307 94 L HA 0.409 4.748 4.340 -0.001 0.000 0.282 94 L C 0.372 177.148 176.870 -0.158 0.000 1.051 94 L CA -0.611 54.160 54.840 -0.115 0.000 0.804 94 L CB 1.554 43.508 42.059 -0.175 0.000 1.197 94 L HN 0.791 nan 8.230 nan 0.000 0.431 95 T N 1.320 115.789 114.554 -0.142 0.000 2.946 95 T HA 0.054 4.403 4.350 -0.001 0.000 0.311 95 T C 0.216 174.732 174.700 -0.306 0.000 1.063 95 T CA 0.111 62.072 62.100 -0.232 0.000 1.139 95 T CB 0.743 69.462 68.868 -0.248 0.000 0.994 95 T HN 0.571 nan 8.240 nan 0.000 0.547 96 S N 0.908 116.387 115.700 -0.367 0.000 2.605 96 S HA 0.339 4.809 4.470 -0.001 0.000 0.308 96 S C -0.189 174.205 174.600 -0.342 0.000 1.113 96 S CA -0.800 57.228 58.200 -0.287 0.000 1.049 96 S CB 0.423 63.511 63.200 -0.185 0.000 1.001 96 S HN 0.775 nan 8.310 nan 0.000 0.480 97 H N 1.934 120.997 119.070 -0.013 0.000 2.517 97 H HA 0.206 4.762 4.556 -0.001 0.000 0.282 97 H C 1.112 176.514 175.328 0.122 0.000 1.023 97 H CA 0.367 56.451 56.048 0.060 0.000 1.169 97 H CB 0.268 30.030 29.762 0.000 0.000 1.454 97 H HN 0.641 nan 8.280 nan 0.000 0.556 98 T N -2.402 112.240 114.554 0.145 0.000 2.882 98 T HA 0.085 4.435 4.350 -0.001 0.000 0.287 98 T C -1.567 173.219 174.700 0.144 0.000 1.014 98 T CA -1.903 60.294 62.100 0.162 0.000 1.049 98 T CB 1.730 70.697 68.868 0.164 0.000 1.001 98 T HN -0.138 nan 8.240 nan 0.000 0.525 99 P HA -0.134 nan 4.420 nan 0.000 0.214 99 P C 1.122 178.540 177.300 0.196 0.000 1.163 99 P CA 0.981 64.169 63.100 0.145 0.000 0.889 99 P CB -0.180 31.600 31.700 0.133 0.000 0.790 100 Y N 0.565 120.944 120.300 0.133 0.000 2.181 100 Y HA -0.091 4.459 4.550 -0.001 0.000 0.288 100 Y C 2.432 178.451 175.900 0.199 0.000 1.146 100 Y CA 1.900 60.115 58.100 0.191 0.000 1.164 100 Y CB -1.231 37.327 38.460 0.163 0.000 0.982 100 Y HN -0.142 nan 8.280 nan 0.000 0.515 101 G N 0.381 109.166 108.800 -0.025 0.000 2.476 101 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.218 101 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.218 101 G C 1.848 176.650 174.900 -0.163 0.000 1.164 101 G CA 1.079 46.093 45.100 -0.143 0.000 0.768 101 G HN 0.380 nan 8.290 nan 0.000 0.560 102 R N -1.098 119.362 120.500 -0.066 0.000 2.075 102 R HA -0.040 4.300 4.340 -0.001 0.000 0.232 102 R C 2.349 178.600 176.300 -0.081 0.000 1.126 102 R CA 1.233 57.299 56.100 -0.057 0.000 0.963 102 R CB -0.612 29.695 30.300 0.012 0.000 0.858 102 R HN 0.519 nan 8.270 nan 0.000 0.435 103 Y N 2.035 122.257 120.300 -0.130 0.000 2.097 103 Y HA -0.267 4.283 4.550 -0.001 0.000 0.282 103 Y C 2.554 178.327 175.900 -0.212 0.000 1.152 103 Y CA 1.704 59.717 58.100 -0.146 0.000 1.136 103 Y CB -0.310 38.097 38.460 -0.089 0.000 0.975 103 Y HN -0.124 nan 8.280 nan 0.000 0.498 104 R N 0.319 120.511 120.500 -0.514 0.000 2.080 104 R HA -0.196 4.144 4.340 -0.001 0.000 0.236 104 R C 1.681 177.878 176.300 -0.171 0.000 1.137 104 R CA 2.291 58.167 56.100 -0.374 0.000 0.943 104 R CB -0.594 29.491 30.300 -0.359 0.000 0.846 104 R HN 0.381 nan 8.270 nan 0.000 0.431 105 D N -0.629 119.686 120.400 -0.141 0.000 2.218 105 D HA -0.081 4.559 4.640 -0.001 0.000 0.204 105 D C 1.689 177.936 176.300 -0.089 0.000 0.976 105 D CA 1.395 55.372 54.000 -0.038 0.000 0.853 105 D CB -0.392 40.360 40.800 -0.080 0.000 0.939 105 D HN 0.552 nan 8.370 nan 0.000 0.481 106 G N 0.533 109.218 108.800 -0.193 0.000 2.394 106 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.215 106 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.215 106 G C 1.801 176.562 174.900 -0.231 0.000 1.165 106 G CA 0.075 45.062 45.100 -0.188 0.000 0.784 106 G HN 0.089 nan 8.290 nan 0.000 0.535 107 R N 0.191 120.451 120.500 -0.401 0.000 2.073 107 R HA -0.022 4.317 4.340 -0.001 0.000 0.234 107 R C 2.757 178.983 176.300 -0.124 0.000 1.134 107 R CA 0.979 56.824 56.100 -0.425 0.000 0.952 107 R CB -0.986 28.759 30.300 -0.924 0.000 0.850 107 R HN 0.330 nan 8.270 nan 0.000 0.433 108 V N 0.848 120.770 119.914 0.014 0.000 2.295 108 V HA -0.230 3.890 4.120 -0.001 0.000 0.246 108 V C 2.631 178.732 176.094 0.012 0.000 1.049 108 V CA 1.839 64.192 62.300 0.090 0.000 1.024 108 V CB -0.559 31.367 31.823 0.173 0.000 0.648 108 V HN 0.331 nan 8.190 nan 0.000 0.447 109 R N -0.210 120.281 120.500 -0.015 0.000 2.105 109 R HA -0.230 4.110 4.340 -0.001 0.000 0.239 109 R C 2.274 178.542 176.300 -0.054 0.000 1.135 109 R CA 2.017 58.090 56.100 -0.044 0.000 0.967 109 R CB -0.133 30.132 30.300 -0.058 0.000 0.861 109 R HN 0.641 nan 8.270 nan 0.000 0.442 110 E N -0.670 119.492 120.200 -0.063 0.000 2.072 110 E HA -0.127 4.222 4.350 -0.001 0.000 0.190 110 E C 1.834 178.412 176.600 -0.037 0.000 0.982 110 E CA 1.161 57.526 56.400 -0.059 0.000 0.803 110 E CB -0.016 29.633 29.700 -0.085 0.000 0.755 110 E HN 0.427 nan 8.360 nan 0.000 0.453 111 A N 0.829 123.639 122.820 -0.017 0.000 1.970 111 A HA 0.015 4.334 4.320 -0.001 0.000 0.216 111 A C 1.133 178.707 177.584 -0.016 0.000 1.170 111 A CA 0.215 52.255 52.037 0.005 0.000 0.645 111 A CB -0.239 18.797 19.000 0.059 0.000 0.816 111 A HN 0.105 nan 8.150 nan 0.000 0.447 112 L N 1.179 122.383 121.223 -0.032 0.000 2.455 112 L HA 0.103 4.443 4.340 -0.001 0.000 0.272 112 L C -1.005 175.832 176.870 -0.054 0.000 1.174 112 L CA -1.102 53.706 54.840 -0.053 0.000 0.869 112 L CB 1.036 43.053 42.059 -0.070 0.000 1.130 112 L HN 0.251 nan 8.230 nan 0.000 0.474 113 P HA 0.009 nan 4.420 nan 0.000 0.245 113 P C -0.050 177.217 177.300 -0.056 0.000 1.203 113 P CA 0.429 63.501 63.100 -0.047 0.000 0.792 113 P CB 0.373 32.050 31.700 -0.037 0.000 0.997 114 V N -3.880 115.990 119.914 -0.074 0.000 3.103 114 V HA 0.697 4.816 4.120 -0.001 0.000 0.318 114 V C -2.989 173.022 176.094 -0.139 0.000 1.114 114 V CA -3.177 59.069 62.300 -0.089 0.000 1.020 114 V CB 0.732 32.508 31.823 -0.080 0.000 1.085 114 V HN -0.291 nan 8.190 nan 0.000 0.446 115 P HA 0.370 nan 4.420 nan 0.000 0.271 115 P C -1.039 175.982 177.300 -0.465 0.000 1.216 115 P CA -0.084 62.799 63.100 -0.361 0.000 0.776 115 P CB 0.482 31.888 31.700 -0.490 0.000 0.881 116 L N 4.456 125.422 121.223 -0.429 0.000 2.294 116 L HA 0.355 4.695 4.340 -0.001 0.000 0.283 116 L C -0.883 175.745 176.870 -0.404 0.000 1.015 116 L CA -0.224 54.429 54.840 -0.312 0.000 0.831 116 L CB 0.046 42.037 42.059 -0.114 0.000 1.217 116 L HN 0.368 nan 8.230 nan 0.000 0.420 117 H N 6.667 125.578 119.070 -0.266 0.000 2.556 117 H HA 0.430 4.985 4.556 -0.000 0.000 0.310 117 H C -0.808 174.468 175.328 -0.087 0.000 1.057 117 H CA -0.405 55.504 56.048 -0.231 0.000 1.264 117 H CB 1.428 30.913 29.762 -0.462 0.000 1.404 117 H HN 0.557 nan 8.280 nan 0.000 0.462 118 L N 4.822 126.087 121.223 0.070 0.000 2.296 118 L HA 0.332 4.672 4.340 -0.001 0.000 0.286 118 L C -0.383 176.517 176.870 0.050 0.000 1.023 118 L CA -0.723 54.137 54.840 0.033 0.000 0.812 118 L CB 1.208 43.248 42.059 -0.032 0.000 1.223 118 L HN 0.225 nan 8.230 nan 0.000 0.421 119 L N 4.633 125.884 121.223 0.046 0.000 2.330 119 L HA 0.585 4.924 4.340 -0.001 0.000 0.271 119 L C -2.265 174.610 176.870 0.007 0.000 1.013 119 L CA -1.582 53.282 54.840 0.040 0.000 0.816 119 L CB 1.477 43.572 42.059 0.060 0.000 1.287 119 L HN 0.311 nan 8.230 nan 0.000 0.435 120 P HA 0.125 nan 4.420 nan 0.000 0.267 120 P C -0.949 176.362 177.300 0.020 0.000 1.205 120 P CA -0.161 62.969 63.100 0.050 0.000 0.765 120 P CB 0.636 32.377 31.700 0.067 0.000 0.828 121 A N 5.827 128.664 122.820 0.029 0.000 2.351 121 A HA 0.461 4.780 4.320 -0.001 0.000 0.257 121 A C -2.151 175.389 177.584 -0.074 0.000 1.087 121 A CA -1.381 50.611 52.037 -0.075 0.000 0.798 121 A CB -0.929 17.997 19.000 -0.123 0.000 1.033 121 A HN 0.396 nan 8.150 nan 0.000 0.488 122 P HA 0.279 nan 4.420 nan 0.000 0.268 122 P C -0.472 176.686 177.300 -0.236 0.000 1.204 122 P CA 0.647 63.686 63.100 -0.101 0.000 0.768 122 P CB 0.412 32.069 31.700 -0.072 0.000 0.842 123 H N 1.006 120.104 119.070 0.046 0.000 2.990 123 H HA 0.226 4.781 4.556 -0.000 0.000 0.343 123 H C 0.427 175.802 175.328 0.078 0.000 1.270 123 H CA -0.464 55.621 56.048 0.061 0.000 1.118 123 H CB 1.413 31.213 29.762 0.064 0.000 1.861 123 H HN 0.103 nan 8.280 nan 0.000 0.544 124 L N 0.253 121.605 121.223 0.216 0.000 2.145 124 L HA 0.193 4.533 4.340 -0.001 0.000 0.201 124 L C 0.466 177.436 176.870 0.167 0.000 1.075 124 L CA 1.275 56.212 54.840 0.161 0.000 0.773 124 L CB 0.222 42.201 42.059 -0.134 0.000 0.936 124 L HN 0.271 nan 8.230 nan 0.000 0.451 125 L N -0.270 121.013 121.223 0.099 0.000 2.409 125 L HA 0.403 4.743 4.340 -0.001 0.000 0.272 125 L C -2.389 174.514 176.870 0.056 0.000 0.980 125 L CA -1.915 52.937 54.840 0.019 0.000 0.826 125 L CB 2.123 44.034 42.059 -0.246 0.000 1.268 125 L HN -0.167 nan 8.230 nan 0.000 0.407 126 P HA 0.076 nan 4.420 nan 0.000 0.267 126 P C -2.092 175.160 177.300 -0.081 0.000 1.200 126 P CA -0.911 62.117 63.100 -0.121 0.000 0.772 126 P CB 0.233 31.892 31.700 -0.069 0.000 0.855 127 P HA -0.069 nan 4.420 nan 0.000 0.226 127 P C 0.252 177.376 177.300 -0.293 0.000 1.161 127 P CA 1.173 64.186 63.100 -0.144 0.000 0.804 127 P CB 0.136 31.670 31.700 -0.278 0.000 0.829 128 D N 0.005 120.001 120.400 -0.674 0.000 2.690 128 D HA 0.070 4.709 4.640 -0.001 0.000 0.236 128 D C 0.344 176.575 176.300 -0.115 0.000 1.218 128 D CA -0.659 52.867 54.000 -0.789 0.000 0.829 128 D CB -0.504 39.635 40.800 -1.101 0.000 1.009 128 D HN 0.026 nan 8.370 nan 0.000 0.482 129 L N 1.090 122.422 121.223 0.183 0.000 2.456 129 L HA 0.174 4.514 4.340 -0.001 0.000 0.272 129 L C -1.238 175.848 176.870 0.360 0.000 1.189 129 L CA -1.443 53.556 54.840 0.266 0.000 0.846 129 L CB 0.685 42.964 42.059 0.366 0.000 1.111 129 L HN -0.167 nan 8.230 nan 0.000 0.475 130 P HA -0.182 nan 4.420 nan 0.000 0.208 130 P C -0.099 177.313 177.300 0.188 0.000 1.180 130 P CA 1.071 64.284 63.100 0.187 0.000 0.935 130 P CB 0.025 31.793 31.700 0.113 0.000 0.785 131 R N 0.273 120.835 120.500 0.105 0.000 2.698 131 R HA 0.319 4.659 4.340 -0.001 0.000 0.266 131 R C -0.598 175.578 176.300 -0.207 0.000 1.026 131 R CA 0.401 56.441 56.100 -0.100 0.000 1.102 131 R CB -0.342 29.809 30.300 -0.249 0.000 0.978 131 R HN 0.086 nan 8.270 nan 0.000 0.436 132 A N 4.500 127.095 122.820 -0.375 0.000 2.291 132 A HA 0.466 4.785 4.320 -0.001 0.000 0.311 132 A C -1.551 175.938 177.584 -0.159 0.000 1.224 132 A CA -0.555 51.216 52.037 -0.444 0.000 0.821 132 A CB 0.450 19.224 19.000 -0.377 0.000 1.172 132 A HN 0.668 nan 8.150 nan 0.000 0.494 133 Y N 1.017 121.554 120.300 0.394 0.000 2.360 133 Y HA 0.492 5.042 4.550 -0.000 0.000 0.337 133 Y C 1.308 177.497 175.900 0.481 0.000 1.039 133 Y CA -0.781 57.534 58.100 0.359 0.000 1.109 133 Y CB 1.913 40.512 38.460 0.231 0.000 1.201 133 Y HN 0.728 nan 8.280 nan 0.000 0.458 134 R N 1.049 121.838 120.500 0.482 0.000 2.334 134 R HA 0.274 4.614 4.340 -0.001 0.000 0.212 134 R C -0.710 175.854 176.300 0.440 0.000 0.897 134 R CA 0.144 56.446 56.100 0.337 0.000 1.056 134 R CB 0.575 30.923 30.300 0.080 0.000 1.046 134 R HN 0.326 nan 8.270 nan 0.000 0.513 135 V N 0.446 120.608 119.914 0.413 0.000 2.628 135 V HA 0.086 4.205 4.120 -0.001 0.000 0.306 135 V C 0.228 176.266 176.094 -0.092 0.000 1.045 135 V CA -0.810 61.639 62.300 0.248 0.000 0.905 135 V CB 1.673 33.595 31.823 0.164 0.000 0.997 135 V HN 0.059 nan 8.190 nan 0.000 0.436 136 Y N 3.340 123.287 120.300 -0.589 0.000 2.163 136 Y HA -0.211 4.338 4.550 -0.001 0.000 0.288 136 Y C 2.395 177.913 175.900 -0.638 0.000 1.136 136 Y CA 2.654 60.017 58.100 -1.228 0.000 1.147 136 Y CB -0.250 37.434 38.460 -1.294 0.000 0.987 136 Y HN 0.735 nan 8.280 nan 0.000 0.509 137 T N 1.874 116.199 114.554 -0.381 0.000 2.597 137 T HA -0.188 4.162 4.350 -0.001 0.000 0.267 137 T C -0.436 174.017 174.700 -0.413 0.000 1.053 137 T CA 2.509 64.396 62.100 -0.356 0.000 1.165 137 T CB -1.416 67.393 68.868 -0.098 0.000 0.863 137 T HN 0.295 nan 8.240 nan 0.000 0.427 138 P HA -0.036 nan 4.420 nan 0.000 0.217 138 P C 1.241 178.135 177.300 -0.676 0.000 1.150 138 P CA 0.698 63.606 63.100 -0.320 0.000 0.832 138 P CB -0.147 31.520 31.700 -0.056 0.000 0.787 139 F N 1.428 120.772 119.950 -1.010 0.000 2.084 139 F HA -0.195 4.332 4.527 -0.001 0.000 0.296 139 F C 2.258 177.552 175.800 -0.843 0.000 1.111 139 F CA 2.052 59.371 58.000 -1.135 0.000 1.224 139 F CB -1.000 37.396 39.000 -1.006 0.000 0.991 139 F HN -0.074 nan 8.300 nan 0.000 0.471 140 S N 0.365 115.493 115.700 -0.953 0.000 2.440 140 S HA -0.210 4.260 4.470 -0.001 0.000 0.238 140 S C 2.012 176.291 174.600 -0.535 0.000 1.010 140 S CA 1.057 58.731 58.200 -0.877 0.000 0.972 140 S CB -0.818 61.735 63.200 -1.078 0.000 0.774 140 S HN 0.535 nan 8.310 nan 0.000 0.501 141 R N 0.641 120.859 120.500 -0.470 0.000 2.189 141 R HA 0.209 4.549 4.340 -0.001 0.000 0.223 141 R C 1.950 178.095 176.300 -0.259 0.000 1.092 141 R CA 1.029 56.954 56.100 -0.292 0.000 0.989 141 R CB -0.533 29.626 30.300 -0.235 0.000 0.876 141 R HN 0.448 nan 8.270 nan 0.000 0.457 142 L N -0.501 120.506 121.223 -0.359 0.000 2.291 142 L HA -0.074 4.265 4.340 -0.001 0.000 0.214 142 L C 0.718 177.470 176.870 -0.198 0.000 1.120 142 L CA 0.145 54.816 54.840 -0.280 0.000 0.799 142 L CB -0.261 41.580 42.059 -0.362 0.000 0.925 142 L HN 0.135 nan 8.230 nan 0.000 0.446 143 Y N 1.608 121.695 120.300 -0.355 0.000 2.496 143 Y HA 0.041 4.590 4.550 -0.001 0.000 0.334 143 Y C 0.921 176.726 175.900 -0.158 0.000 1.080 143 Y CA -0.239 57.709 58.100 -0.253 0.000 1.355 143 Y CB 0.254 38.553 38.460 -0.269 0.000 1.193 143 Y HN -0.049 nan 8.280 nan 0.000 0.523 144 R N 4.336 124.486 120.500 -0.584 0.000 2.613 144 R HA 0.355 4.694 4.340 -0.001 0.000 0.361 144 R C -0.009 175.938 176.300 -0.588 0.000 1.072 144 R CA 0.230 56.053 56.100 -0.462 0.000 1.089 144 R CB -0.031 30.121 30.300 -0.247 0.000 1.343 144 R HN 0.966 nan 8.270 nan 0.000 0.571 145 G N 0.065 108.143 108.800 -1.203 0.000 2.587 145 G HA2 0.006 3.966 3.960 -0.001 0.000 0.686 145 G HA3 0.006 3.966 3.960 -0.001 0.000 0.686 145 G C -0.993 173.665 174.900 -0.402 0.000 1.236 145 G CA -0.590 44.098 45.100 -0.688 0.000 0.820 145 G HN 0.293 nan 8.290 nan 0.000 0.645 146 A N 0.365 123.234 122.820 0.082 0.000 2.363 146 A HA 0.943 5.262 4.320 -0.001 0.000 0.270 146 A C 1.025 178.824 177.584 0.357 0.000 1.121 146 A CA 1.059 53.287 52.037 0.319 0.000 0.800 146 A CB 0.643 19.921 19.000 0.463 0.000 1.052 146 A HN 2.557 nan 8.150 nan 0.000 0.493 147 A N 3.598 126.549 122.820 0.218 0.000 2.332 147 A HA 0.646 4.966 4.320 -0.001 0.000 0.258 147 A C -2.424 175.121 177.584 -0.065 0.000 1.087 147 A CA -1.404 50.694 52.037 0.102 0.000 0.802 147 A CB -0.461 18.556 19.000 0.028 0.000 1.042 147 A HN 0.625 nan 8.150 nan 0.000 0.489 148 P HA 0.248 nan 4.420 nan 0.000 0.271 148 P C -2.503 174.451 177.300 -0.578 0.000 1.216 148 P CA -0.844 61.608 63.100 -1.080 0.000 0.776 148 P CB 0.101 31.279 31.700 -0.871 0.000 0.881 149 P HA 0.225 nan 4.420 nan 0.000 0.281 149 P C -0.586 176.594 177.300 -0.199 0.000 1.249 149 P CA -0.302 62.644 63.100 -0.255 0.000 0.810 149 P CB 0.940 32.550 31.700 -0.151 0.000 1.008 150 L N 3.317 124.477 121.223 -0.106 0.000 2.397 150 L HA 0.305 4.644 4.340 -0.001 0.000 0.271 150 L C -1.591 175.237 176.870 -0.071 0.000 1.148 150 L CA -1.866 52.923 54.840 -0.085 0.000 0.825 150 L CB 0.326 42.354 42.059 -0.052 0.000 1.117 150 L HN 0.274 nan 8.230 nan 0.000 0.456 151 P HA 0.245 nan 4.420 nan 0.000 0.276 151 P C -2.700 174.502 177.300 -0.164 0.000 1.244 151 P CA -1.538 61.496 63.100 -0.110 0.000 0.801 151 P CB 0.417 32.060 31.700 -0.095 0.000 1.006 152 P HA 0.311 nan 4.420 nan 0.000 0.279 152 P C -2.370 174.793 177.300 -0.228 0.000 1.252 152 P CA -2.012 60.878 63.100 -0.350 0.000 0.811 152 P CB -0.560 30.690 31.700 -0.750 0.000 1.035 153 P HA 0.189 nan 4.420 nan 0.000 0.275 153 P C 0.397 177.613 177.300 -0.140 0.000 1.228 153 P CA -0.007 63.004 63.100 -0.150 0.000 0.786 153 P CB 1.293 32.901 31.700 -0.154 0.000 0.927 154 E N 0.896 121.034 120.200 -0.103 0.000 2.076 154 E HA 0.155 4.504 4.350 -0.001 0.000 0.190 154 E C 0.658 177.214 176.600 -0.073 0.000 0.979 154 E CA 0.643 56.995 56.400 -0.080 0.000 0.807 154 E CB 0.083 29.748 29.700 -0.059 0.000 0.761 154 E HN 0.590 nan 8.360 nan 0.000 0.454 155 A N 0.427 123.203 122.820 -0.074 0.000 2.594 155 A HA 0.679 4.998 4.320 -0.001 0.000 0.291 155 A C -1.540 176.000 177.584 -0.073 0.000 1.105 155 A CA -0.701 51.298 52.037 -0.063 0.000 0.694 155 A CB 1.229 20.205 19.000 -0.040 0.000 1.291 155 A HN 0.065 nan 8.150 nan 0.000 0.410 156 L N 1.690 122.876 121.223 -0.062 0.000 2.354 156 L HA 0.567 4.907 4.340 -0.001 0.000 0.269 156 L C -2.114 174.749 176.870 -0.011 0.000 1.005 156 L CA -2.082 52.725 54.840 -0.055 0.000 0.819 156 L CB 2.503 44.513 42.059 -0.082 0.000 1.311 156 L HN 0.581 nan 8.230 nan 0.000 0.423 157 P HA 0.044 nan 4.420 nan 0.000 0.269 157 P C -1.142 176.182 177.300 0.040 0.000 1.209 157 P CA -0.381 62.728 63.100 0.014 0.000 0.776 157 P CB 0.999 32.705 31.700 0.010 0.000 0.876 158 K N 0.897 121.320 120.400 0.039 0.000 2.202 158 K HA 0.530 4.850 4.320 -0.001 0.000 0.264 158 K C 0.117 176.758 176.600 0.068 0.000 1.010 158 K CA -0.186 56.134 56.287 0.055 0.000 0.940 158 K CB 0.210 32.735 32.500 0.041 0.000 0.983 158 K HN 0.767 nan 8.250 nan 0.000 0.475 159 G N 2.479 111.335 108.800 0.093 0.000 2.608 159 G HA2 0.366 4.326 3.960 -0.001 0.000 0.291 159 G HA3 0.366 4.326 3.960 -0.001 0.000 0.291 159 G C -2.938 172.054 174.900 0.153 0.000 1.425 159 G CA -1.021 44.147 45.100 0.114 0.000 0.787 159 G HN 0.563 nan 8.290 nan 0.000 0.484 160 P HA 0.340 nan 4.420 nan 0.000 0.278 160 P C -0.926 176.571 177.300 0.328 0.000 1.238 160 P CA -0.156 63.079 63.100 0.224 0.000 0.794 160 P CB 2.274 34.122 31.700 0.247 0.000 0.955 161 E N 1.616 121.849 120.200 0.055 0.000 2.183 161 E HA 0.301 4.651 4.350 -0.001 0.000 0.271 161 E C -0.839 175.449 176.600 -0.520 0.000 0.919 161 E CA -0.493 55.832 56.400 -0.124 0.000 0.781 161 E CB 1.142 30.810 29.700 -0.053 0.000 1.140 161 E HN 0.350 nan 8.360 nan 0.000 0.402 162 E N 1.382 120.994 120.200 -0.980 0.000 2.408 162 E HA 0.533 4.882 4.350 -0.001 0.000 0.275 162 E C -0.640 175.622 176.600 -0.563 0.000 0.935 162 E CA -0.399 55.427 56.400 -0.957 0.000 0.775 162 E CB 1.920 30.578 29.700 -1.737 0.000 1.277 162 E HN 0.842 nan 8.360 nan 0.000 0.455 163 G N 1.756 110.336 108.800 -0.366 0.000 2.692 163 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.686 163 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.686 163 G C -0.886 173.931 174.900 -0.139 0.000 1.243 163 G CA -0.731 44.249 45.100 -0.200 0.000 0.782 163 G HN 0.291 nan 8.290 nan 0.000 0.625 164 E N -0.107 120.037 120.200 -0.093 0.000 2.227 164 E HA 0.608 4.958 4.350 -0.001 0.000 0.268 164 E C 0.132 176.702 176.600 -0.050 0.000 0.907 164 E CA -0.830 55.528 56.400 -0.070 0.000 0.786 164 E CB 1.979 31.643 29.700 -0.059 0.000 1.191 164 E HN 0.542 nan 8.360 nan 0.000 0.411 165 I N 3.225 123.766 120.570 -0.048 0.000 2.330 165 I HA 0.218 4.388 4.170 -0.001 0.000 0.286 165 I C -2.058 174.044 176.117 -0.026 0.000 1.025 165 I CA -1.923 59.353 61.300 -0.041 0.000 1.197 165 I CB 0.791 38.754 38.000 -0.063 0.000 1.358 165 I HN 0.071 nan 8.210 nan 0.000 0.467 166 P HA 0.098 nan 4.420 nan 0.000 0.269 166 P C -0.609 176.695 177.300 0.005 0.000 1.205 166 P CA -0.096 63.006 63.100 0.003 0.000 0.780 166 P CB 0.486 32.198 31.700 0.019 0.000 0.858 167 R N 1.877 122.383 120.500 0.010 0.000 2.393 167 R HA 0.360 4.700 4.340 -0.001 0.000 0.315 167 R C -0.122 176.194 176.300 0.027 0.000 0.952 167 R CA -0.599 55.510 56.100 0.016 0.000 0.842 167 R CB 1.576 31.882 30.300 0.010 0.000 1.163 167 R HN 0.475 nan 8.270 nan 0.000 0.450 168 E N 1.512 121.735 120.200 0.039 0.000 2.207 168 E HA 0.097 4.447 4.350 -0.001 0.000 0.270 168 E C -1.193 175.437 176.600 0.050 0.000 0.927 168 E CA -0.732 55.697 56.400 0.047 0.000 0.799 168 E CB 2.039 31.777 29.700 0.064 0.000 1.172 168 E HN 0.377 nan 8.360 nan 0.000 0.404 169 D N 3.476 123.903 120.400 0.045 0.000 2.365 169 D HA 0.124 4.764 4.640 -0.001 0.000 0.237 169 D C -1.457 174.873 176.300 0.051 0.000 1.190 169 D CA -1.937 52.089 54.000 0.043 0.000 0.867 169 D CB 1.070 41.890 40.800 0.034 0.000 1.050 169 D HN 0.075 nan 8.370 nan 0.000 0.491 170 P HA 0.008 nan 4.420 nan 0.000 0.223 170 P C 0.896 178.223 177.300 0.046 0.000 1.151 170 P CA 1.047 64.185 63.100 0.064 0.000 0.787 170 P CB 0.212 31.957 31.700 0.076 0.000 0.788 171 G N -0.212 108.612 108.800 0.040 0.000 2.153 171 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.252 171 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.252 171 G C -0.109 174.809 174.900 0.031 0.000 0.994 171 G CA 0.406 45.526 45.100 0.034 0.000 0.698 171 G HN 0.615 nan 8.290 nan 0.000 0.521 172 L N -5.243 115.997 121.223 0.028 0.000 3.020 172 L HA 0.810 5.149 4.340 -0.001 0.000 0.273 172 L C -3.015 173.867 176.870 0.019 0.000 1.018 172 L CA -2.704 52.149 54.840 0.023 0.000 0.950 172 L CB -0.062 42.005 42.059 0.012 0.000 1.510 172 L HN -0.142 nan 8.230 nan 0.000 0.404 173 P HA 0.534 nan 4.420 nan 0.000 0.276 173 P C -0.912 176.374 177.300 -0.023 0.000 1.253 173 P CA 0.125 63.231 63.100 0.010 0.000 0.766 173 P CB 0.590 32.301 31.700 0.018 0.000 0.845 174 L N 5.727 126.945 121.223 -0.008 0.000 2.343 174 L HA 0.478 4.818 4.340 -0.001 0.000 0.275 174 L C -1.678 175.162 176.870 -0.050 0.000 1.056 174 L CA -2.060 52.744 54.840 -0.060 0.000 0.804 174 L CB 0.653 42.765 42.059 0.088 0.000 1.203 174 L HN 0.247 nan 8.230 nan 0.000 0.440 175 P HA 0.024 nan 4.420 nan 0.000 0.272 175 P C -0.830 176.583 177.300 0.188 0.000 1.254 175 P CA -0.525 62.538 63.100 -0.062 0.000 0.795 175 P CB 0.401 31.946 31.700 -0.259 0.000 1.022 176 E N 1.764 122.112 120.200 0.247 0.000 2.299 176 E HA 0.095 4.445 4.350 -0.001 0.000 0.272 176 E C -1.956 174.901 176.600 0.429 0.000 1.043 176 E CA -1.717 54.843 56.400 0.268 0.000 0.895 176 E CB 0.078 29.887 29.700 0.181 0.000 1.011 176 E HN 0.227 nan 8.360 nan 0.000 0.432 177 P HA 0.300 nan 4.420 nan 0.000 0.277 177 P C -0.133 177.245 177.300 0.130 0.000 1.240 177 P CA 0.060 63.275 63.100 0.191 0.000 0.798 177 P CB 1.227 32.931 31.700 0.007 0.000 0.979 178 G N 0.920 109.766 108.800 0.077 0.000 2.570 178 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.686 178 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.686 178 G C 0.474 175.393 174.900 0.032 0.000 1.257 178 G CA 0.062 45.182 45.100 0.035 0.000 0.846 178 G HN 0.553 nan 8.290 nan 0.000 0.627 179 E N -0.200 119.992 120.200 -0.013 0.000 2.072 179 E HA -0.095 4.255 4.350 -0.001 0.000 0.191 179 E C 2.106 178.629 176.600 -0.127 0.000 0.985 179 E CA 1.715 58.074 56.400 -0.069 0.000 0.801 179 E CB -0.050 29.642 29.700 -0.013 0.000 0.750 179 E HN 0.700 nan 8.360 nan 0.000 0.452 180 E N 0.488 120.646 120.200 -0.071 0.000 2.058 180 E HA -0.235 4.114 4.350 -0.001 0.000 0.194 180 E C 2.144 178.681 176.600 -0.106 0.000 0.997 180 E CA 1.076 57.432 56.400 -0.073 0.000 0.801 180 E CB -0.245 29.439 29.700 -0.025 0.000 0.746 180 E HN 0.359 nan 8.360 nan 0.000 0.450 181 A N 1.688 124.456 122.820 -0.086 0.000 1.883 181 A HA -0.157 4.162 4.320 -0.001 0.000 0.217 181 A C 2.451 179.852 177.584 -0.305 0.000 1.186 181 A CA 1.901 53.877 52.037 -0.102 0.000 0.624 181 A CB -0.791 18.227 19.000 0.030 0.000 0.822 181 A HN 0.303 nan 8.150 nan 0.000 0.444 182 A N -0.396 122.099 122.820 -0.542 0.000 1.902 182 A HA -0.050 4.270 4.320 -0.001 0.000 0.217 182 A C 2.184 179.500 177.584 -0.447 0.000 1.181 182 A CA 1.536 53.046 52.037 -0.879 0.000 0.623 182 A CB -0.598 17.874 19.000 -0.880 0.000 0.818 182 A HN 0.481 nan 8.150 nan 0.000 0.443 183 L N -0.934 120.107 121.223 -0.303 0.000 2.093 183 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 183 L C 3.095 179.879 176.870 -0.143 0.000 1.085 183 L CA 0.964 55.677 54.840 -0.212 0.000 0.755 183 L CB -0.526 41.396 42.059 -0.229 0.000 0.904 183 L HN 0.448 nan 8.230 nan 0.000 0.435 184 A N 0.319 123.059 122.820 -0.133 0.000 1.902 184 A HA -0.120 4.200 4.320 -0.001 0.000 0.217 184 A C 2.405 179.946 177.584 -0.073 0.000 1.181 184 A CA 1.683 53.671 52.037 -0.081 0.000 0.623 184 A CB -1.235 17.728 19.000 -0.063 0.000 0.818 184 A HN 0.433 nan 8.150 nan 0.000 0.443 185 G N -0.134 108.597 108.800 -0.114 0.000 2.440 185 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.218 185 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.218 185 G C 1.492 176.374 174.900 -0.030 0.000 1.154 185 G CA 1.252 46.306 45.100 -0.077 0.000 0.767 185 G HN 0.489 nan 8.290 nan 0.000 0.552 186 L N 0.559 121.746 121.223 -0.061 0.000 2.017 186 L HA 0.031 4.370 4.340 -0.001 0.000 0.208 186 L C 2.858 179.748 176.870 0.033 0.000 1.073 186 L CA 1.834 56.681 54.840 0.012 0.000 0.745 186 L CB -0.643 41.422 42.059 0.010 0.000 0.894 186 L HN 0.138 nan 8.230 nan 0.000 0.432 187 R N -0.591 119.906 120.500 -0.004 0.000 2.097 187 R HA -0.216 4.124 4.340 -0.001 0.000 0.236 187 R C 2.236 178.524 176.300 -0.021 0.000 1.135 187 R CA 1.671 57.764 56.100 -0.013 0.000 0.934 187 R CB -0.861 29.427 30.300 -0.020 0.000 0.846 187 R HN 0.578 nan 8.270 nan 0.000 0.431 188 A N 1.052 123.868 122.820 -0.008 0.000 1.869 188 A HA -0.265 4.055 4.320 -0.001 0.000 0.218 188 A C 2.028 179.603 177.584 -0.015 0.000 1.203 188 A CA 1.801 53.834 52.037 -0.008 0.000 0.638 188 A CB -0.982 18.026 19.000 0.013 0.000 0.831 188 A HN 0.451 nan 8.150 nan 0.000 0.450 189 F N 0.606 120.481 119.950 -0.125 0.000 2.091 189 F HA -0.208 4.319 4.527 -0.001 0.000 0.299 189 F C 1.943 177.598 175.800 -0.241 0.000 1.103 189 F CA 2.054 59.945 58.000 -0.182 0.000 1.228 189 F CB -0.359 38.496 39.000 -0.242 0.000 0.984 189 F HN 0.162 nan 8.300 nan 0.000 0.477 190 L N -0.118 120.933 121.223 -0.286 0.000 2.046 190 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 190 L C 2.468 179.154 176.870 -0.307 0.000 1.077 190 L CA 1.259 55.875 54.840 -0.373 0.000 0.747 190 L CB -0.742 41.221 42.059 -0.159 0.000 0.896 190 L HN 0.122 nan 8.230 nan 0.000 0.432 191 E N -0.008 120.073 120.200 -0.199 0.000 2.158 191 E HA -0.071 4.279 4.350 -0.001 0.000 0.191 191 E C 2.035 178.538 176.600 -0.162 0.000 0.982 191 E CA 1.289 57.600 56.400 -0.148 0.000 0.823 191 E CB -0.010 29.636 29.700 -0.089 0.000 0.766 191 E HN 0.486 nan 8.360 nan 0.000 0.468 192 A N 1.185 123.891 122.820 -0.191 0.000 1.944 192 A HA 0.062 4.381 4.320 -0.001 0.000 0.209 192 A C 1.941 179.391 177.584 -0.222 0.000 1.328 192 A CA 0.443 52.383 52.037 -0.162 0.000 0.693 192 A CB 0.071 19.013 19.000 -0.097 0.000 0.994 192 A HN 0.020 nan 8.150 nan 0.000 0.485 193 K N -0.349 119.841 120.400 -0.351 0.000 2.262 193 K HA 0.113 4.433 4.320 -0.001 0.000 0.200 193 K C 1.747 177.995 176.600 -0.586 0.000 1.049 193 K CA 0.642 56.696 56.287 -0.389 0.000 0.979 193 K CB -0.177 32.182 32.500 -0.235 0.000 0.773 193 K HN 0.294 nan 8.250 nan 0.000 0.474 194 L N 2.523 123.152 121.223 -0.990 0.000 2.021 194 L HA -0.152 4.187 4.340 -0.001 0.000 0.215 194 L C -1.169 175.542 176.870 -0.265 0.000 1.074 194 L CA 2.000 56.371 54.840 -0.781 0.000 0.760 194 L CB -1.005 40.630 42.059 -0.707 0.000 0.889 194 L HN 0.014 nan 8.230 nan 0.000 0.433 195 P HA -0.166 nan 4.420 nan 0.000 0.216 195 P C 1.000 178.282 177.300 -0.030 0.000 1.150 195 P CA 1.503 64.548 63.100 -0.092 0.000 0.843 195 P CB -0.019 31.624 31.700 -0.096 0.000 0.787 196 R N -2.773 117.710 120.500 -0.027 0.000 2.397 196 R HA 0.154 4.493 4.340 -0.001 0.000 0.241 196 R C 1.635 177.967 176.300 0.053 0.000 0.914 196 R CA -0.245 55.861 56.100 0.009 0.000 1.071 196 R CB -1.108 29.187 30.300 -0.008 0.000 1.116 196 R HN 0.277 nan 8.270 nan 0.000 0.524 197 Y N 2.037 122.322 120.300 -0.024 0.000 2.132 197 Y HA -0.361 4.188 4.550 -0.001 0.000 0.280 197 Y C 2.125 178.084 175.900 0.098 0.000 1.193 197 Y CA 2.032 60.176 58.100 0.073 0.000 1.157 197 Y CB -0.180 38.364 38.460 0.140 0.000 0.966 197 Y HN 0.125 nan 8.280 nan 0.000 0.511 198 A N -0.284 122.553 122.820 0.028 0.000 1.972 198 A HA -0.184 4.136 4.320 -0.001 0.000 0.219 198 A C 1.868 179.393 177.584 -0.099 0.000 1.169 198 A CA 2.011 54.019 52.037 -0.048 0.000 0.635 198 A CB -0.510 18.528 19.000 0.063 0.000 0.810 198 A HN 0.567 nan 8.150 nan 0.000 0.446 199 E N -0.548 119.613 120.200 -0.064 0.000 2.447 199 E HA 0.052 4.402 4.350 -0.001 0.000 0.195 199 E C 1.173 177.734 176.600 -0.065 0.000 1.028 199 E CA 0.475 56.846 56.400 -0.049 0.000 0.876 199 E CB 0.276 29.966 29.700 -0.017 0.000 0.885 199 E HN 0.514 nan 8.360 nan 0.000 0.500 200 E N 0.057 120.197 120.200 -0.100 0.000 2.526 200 E HA 0.060 4.409 4.350 -0.001 0.000 0.208 200 E C 1.194 177.711 176.600 -0.138 0.000 0.997 200 E CA 0.018 56.372 56.400 -0.076 0.000 0.961 200 E CB 0.356 30.050 29.700 -0.009 0.000 1.030 200 E HN 0.285 nan 8.360 nan 0.000 0.483 201 R N 0.664 120.974 120.500 -0.318 0.000 2.339 201 R HA 0.025 4.365 4.340 -0.001 0.000 0.199 201 R C 0.106 176.260 176.300 -0.244 0.000 1.018 201 R CA 0.804 56.673 56.100 -0.385 0.000 1.036 201 R CB 0.132 29.920 30.300 -0.853 0.000 0.899 201 R HN -0.201 nan 8.270 nan 0.000 0.473 202 D N 0.625 120.899 120.400 -0.209 0.000 2.433 202 D HA 0.100 4.739 4.640 -0.001 0.000 0.211 202 D C -0.117 176.017 176.300 -0.276 0.000 1.114 202 D CA -0.105 53.726 54.000 -0.281 0.000 0.837 202 D CB 0.365 40.994 40.800 -0.286 0.000 0.984 202 D HN 0.145 nan 8.370 nan 0.000 0.505 203 R N 0.666 121.077 120.500 -0.149 0.000 2.638 203 R HA 0.073 4.413 4.340 -0.001 0.000 0.268 203 R C 1.520 177.659 176.300 -0.267 0.000 1.006 203 R CA 0.016 56.039 56.100 -0.128 0.000 1.088 203 R CB 0.930 31.191 30.300 -0.064 0.000 0.950 203 R HN 0.047 nan 8.270 nan 0.000 0.419 204 L N 1.798 122.799 121.223 -0.369 0.000 2.141 204 L HA -0.191 4.149 4.340 -0.001 0.000 0.209 204 L C 1.793 178.087 176.870 -0.960 0.000 1.094 204 L CA 1.277 55.657 54.840 -0.767 0.000 0.763 204 L CB -0.331 41.134 42.059 -0.990 0.000 0.908 204 L HN 0.780 nan 8.230 nan 0.000 0.437 205 D N -0.273 119.771 120.400 -0.594 0.000 2.349 205 D HA -0.050 4.590 4.640 -0.001 0.000 0.224 205 D C 1.368 177.661 176.300 -0.013 0.000 1.029 205 D CA 0.750 54.613 54.000 -0.228 0.000 0.879 205 D CB -0.313 40.568 40.800 0.134 0.000 0.906 205 D HN 0.202 nan 8.370 nan 0.000 0.528 206 G N 1.280 110.033 108.800 -0.077 0.000 2.390 206 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.299 206 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.299 206 G C 0.530 175.507 174.900 0.130 0.000 1.002 206 G CA 0.526 45.653 45.100 0.044 0.000 0.979 206 G HN 0.499 nan 8.290 nan 0.000 0.513 207 E N -0.791 119.470 120.200 0.102 0.000 2.479 207 E HA 0.156 4.505 4.350 -0.001 0.000 0.193 207 E C 2.337 179.023 176.600 0.145 0.000 1.049 207 E CA 0.347 56.820 56.400 0.121 0.000 0.870 207 E CB 0.199 29.962 29.700 0.106 0.000 0.944 207 E HN 0.482 nan 8.360 nan 0.000 0.492 208 G N 1.074 109.961 108.800 0.145 0.000 2.880 208 G HA2 0.044 4.004 3.960 -0.001 0.000 0.209 208 G HA3 0.044 4.004 3.960 -0.001 0.000 0.209 208 G C 0.682 175.831 174.900 0.415 0.000 1.157 208 G CA 0.241 45.456 45.100 0.193 0.000 0.779 208 G HN 0.194 nan 8.290 nan 0.000 0.539 209 G N -0.277 108.749 108.800 0.376 0.000 2.511 209 G HA2 0.387 4.347 3.960 -0.001 0.000 0.316 209 G HA3 0.387 4.347 3.960 -0.001 0.000 0.316 209 G C 1.203 176.220 174.900 0.195 0.000 1.210 209 G CA 0.602 45.969 45.100 0.445 0.000 0.969 209 G HN 0.301 nan 8.290 nan 0.000 0.492 210 S N -0.580 114.967 115.700 -0.255 0.000 2.453 210 S HA -0.044 4.426 4.470 -0.001 0.000 0.231 210 S C 1.371 175.917 174.600 -0.089 0.000 1.005 210 S CA 0.732 58.648 58.200 -0.474 0.000 0.949 210 S CB -0.116 62.582 63.200 -0.838 0.000 0.774 210 S HN 0.663 nan 8.310 nan 0.000 0.510 211 R N -0.144 120.350 120.500 -0.010 0.000 3.770 211 R HA -0.123 4.216 4.340 -0.001 0.000 0.305 211 R C 0.192 176.486 176.300 -0.011 0.000 1.184 211 R CA 0.961 56.972 56.100 -0.149 0.000 0.823 211 R CB -2.656 27.469 30.300 -0.293 0.000 1.285 211 R HN 0.521 nan 8.270 nan 0.000 0.499 212 L N -0.026 121.286 121.223 0.148 0.000 2.607 212 L HA -0.002 4.338 4.340 -0.001 0.000 0.228 212 L C 2.209 179.280 176.870 0.333 0.000 1.123 212 L CA 0.836 55.818 54.840 0.236 0.000 0.890 212 L CB 0.062 42.163 42.059 0.070 0.000 1.103 212 L HN 0.262 nan 8.230 nan 0.000 0.468 213 S N 0.527 116.473 115.700 0.410 0.000 2.392 213 S HA -0.133 4.336 4.470 -0.001 0.000 0.232 213 S C -0.534 174.275 174.600 0.348 0.000 1.041 213 S CA 1.071 59.545 58.200 0.457 0.000 1.026 213 S CB -1.730 61.701 63.200 0.384 0.000 0.845 213 S HN 0.245 nan 8.310 nan 0.000 0.465 214 P HA -0.039 nan 4.420 nan 0.000 0.218 214 P C 0.796 178.284 177.300 0.312 0.000 1.149 214 P CA 1.110 64.284 63.100 0.124 0.000 0.817 214 P CB -0.201 31.284 31.700 -0.358 0.000 0.785 215 Y N -2.500 117.991 120.300 0.319 0.000 2.243 215 Y HA -0.032 4.518 4.550 0.000 0.000 0.293 215 Y C 2.224 178.191 175.900 0.112 0.000 1.124 215 Y CA 0.853 59.055 58.100 0.170 0.000 1.159 215 Y CB -1.140 37.284 38.460 -0.060 0.000 1.008 215 Y HN -0.128 nan 8.280 nan 0.000 0.527 216 F N -0.240 119.914 119.950 0.341 0.000 2.126 216 F HA -0.279 4.248 4.527 -0.000 0.000 0.299 216 F C 2.542 178.480 175.800 0.229 0.000 1.096 216 F CA 0.758 58.901 58.000 0.238 0.000 1.255 216 F CB -0.537 38.577 39.000 0.191 0.000 0.997 216 F HN 0.032 nan 8.300 nan 0.000 0.479 217 A N -0.060 123.026 122.820 0.443 0.000 1.986 217 A HA -0.178 4.141 4.320 -0.001 0.000 0.220 217 A C 1.882 179.647 177.584 0.303 0.000 1.171 217 A CA 1.498 53.750 52.037 0.358 0.000 0.640 217 A CB -0.884 18.320 19.000 0.342 0.000 0.811 217 A HN 0.462 nan 8.150 nan 0.000 0.451 218 L N -1.583 119.809 121.223 0.281 0.000 2.769 218 L HA 0.287 4.627 4.340 -0.001 0.000 0.240 218 L C 1.463 178.445 176.870 0.187 0.000 1.163 218 L CA 0.306 55.274 54.840 0.213 0.000 0.962 218 L CB -0.105 42.025 42.059 0.119 0.000 1.258 218 L HN 0.540 nan 8.230 nan 0.000 0.513 219 G N 0.257 109.184 108.800 0.211 0.000 2.168 219 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.257 219 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.257 219 G C 0.776 175.774 174.900 0.163 0.000 0.997 219 G CA 0.549 45.758 45.100 0.181 0.000 0.708 219 G HN 0.195 nan 8.290 nan 0.000 0.520 220 V N -0.604 119.402 119.914 0.154 0.000 2.759 220 V HA 0.193 4.312 4.120 -0.001 0.000 0.256 220 V C 1.460 177.596 176.094 0.071 0.000 1.080 220 V CA 1.712 64.084 62.300 0.120 0.000 1.101 220 V CB -0.042 31.890 31.823 0.181 0.000 0.698 220 V HN 0.478 nan 8.190 nan 0.000 0.477 221 L N -0.107 121.149 121.223 0.055 0.000 2.410 221 L HA 0.453 4.792 4.340 -0.001 0.000 0.270 221 L C -0.107 176.865 176.870 0.171 0.000 0.983 221 L CA -0.223 54.602 54.840 -0.025 0.000 0.822 221 L CB 2.223 44.057 42.059 -0.375 0.000 1.285 221 L HN 0.101 nan 8.230 nan 0.000 0.409 222 S N 4.925 120.736 115.700 0.185 0.000 2.523 222 S HA 0.343 4.813 4.470 -0.001 0.000 0.275 222 S C -1.450 173.354 174.600 0.341 0.000 1.281 222 S CA -1.224 57.104 58.200 0.214 0.000 1.050 222 S CB 1.133 64.409 63.200 0.127 0.000 0.937 222 S HN 0.518 nan 8.310 nan 0.000 0.492 223 P HA -0.089 nan 4.420 nan 0.000 0.221 223 P C 1.291 178.682 177.300 0.152 0.000 1.150 223 P CA 0.647 63.843 63.100 0.160 0.000 0.800 223 P CB 0.118 31.782 31.700 -0.059 0.000 0.787 224 R N 0.163 120.747 120.500 0.140 0.000 2.075 224 R HA -0.038 4.301 4.340 -0.001 0.000 0.232 224 R C 2.534 178.974 176.300 0.234 0.000 1.126 224 R CA 0.799 56.999 56.100 0.166 0.000 0.963 224 R CB -0.952 29.410 30.300 0.103 0.000 0.858 224 R HN 0.114 nan 8.270 nan 0.000 0.435 225 L N 0.378 121.729 121.223 0.213 0.000 2.017 225 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 225 L C 2.413 179.490 176.870 0.345 0.000 1.073 225 L CA 1.770 56.758 54.840 0.246 0.000 0.745 225 L CB -0.456 41.713 42.059 0.184 0.000 0.894 225 L HN 0.336 nan 8.230 nan 0.000 0.432 226 A N -0.059 122.977 122.820 0.361 0.000 1.883 226 A HA -0.228 4.092 4.320 -0.001 0.000 0.217 226 A C 2.439 180.309 177.584 0.478 0.000 1.186 226 A CA 1.978 54.295 52.037 0.467 0.000 0.624 226 A CB -1.113 18.261 19.000 0.623 0.000 0.822 226 A HN 0.614 nan 8.150 nan 0.000 0.444 227 A N -1.268 121.766 122.820 0.357 0.000 1.877 227 A HA -0.190 4.130 4.320 -0.001 0.000 0.216 227 A C 2.126 179.921 177.584 0.351 0.000 1.186 227 A CA 1.443 53.673 52.037 0.322 0.000 0.620 227 A CB -0.993 18.154 19.000 0.246 0.000 0.822 227 A HN 0.885 nan 8.150 nan 0.000 0.443 228 W N 1.205 122.617 121.300 0.186 0.000 2.338 228 W HA -0.176 4.483 4.660 -0.001 0.000 0.304 228 W C 1.704 178.304 176.519 0.136 0.000 1.212 228 W CA 2.120 59.551 57.345 0.143 0.000 1.264 228 W CB -0.180 29.349 29.460 0.116 0.000 1.142 228 W HN 0.459 nan 8.180 nan 0.000 0.512 229 E N 0.505 120.872 120.200 0.279 0.000 2.051 229 E HA -0.176 4.174 4.350 -0.001 0.000 0.192 229 E C 2.377 179.011 176.600 0.057 0.000 0.991 229 E CA 1.537 58.023 56.400 0.144 0.000 0.799 229 E CB -0.901 28.931 29.700 0.220 0.000 0.748 229 E HN 0.306 nan 8.360 nan 0.000 0.449 230 A N 1.732 124.653 122.820 0.169 0.000 1.902 230 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 230 A C 1.972 179.591 177.584 0.057 0.000 1.181 230 A CA 1.468 53.592 52.037 0.145 0.000 0.623 230 A CB -0.477 18.750 19.000 0.379 0.000 0.818 230 A HN 0.210 nan 8.150 nan 0.000 0.443 231 E N -0.588 119.631 120.200 0.032 0.000 2.268 231 E HA -0.137 4.213 4.350 -0.001 0.000 0.195 231 E C 2.111 178.610 176.600 -0.168 0.000 0.995 231 E CA 0.580 56.951 56.400 -0.049 0.000 0.836 231 E CB -0.142 29.527 29.700 -0.051 0.000 0.763 231 E HN 0.522 nan 8.360 nan 0.000 0.491 232 R N 0.384 120.736 120.500 -0.247 0.000 2.148 232 R HA 0.023 4.363 4.340 -0.001 0.000 0.223 232 R C 2.180 178.396 176.300 -0.140 0.000 1.088 232 R CA 0.541 56.482 56.100 -0.265 0.000 0.985 232 R CB 0.149 30.272 30.300 -0.295 0.000 0.880 232 R HN 0.031 nan 8.270 nan 0.000 0.451 233 R N -0.056 120.386 120.500 -0.097 0.000 2.080 233 R HA 0.092 4.432 4.340 -0.001 0.000 0.222 233 R C 1.126 177.392 176.300 -0.057 0.000 1.107 233 R CA 0.901 56.957 56.100 -0.073 0.000 0.980 233 R CB -0.382 29.873 30.300 -0.074 0.000 0.879 233 R HN 0.304 nan 8.270 nan 0.000 0.439 234 G N 0.006 108.781 108.800 -0.041 0.000 2.804 234 G HA2 0.006 3.966 3.960 -0.001 0.000 0.230 234 G HA3 0.006 3.966 3.960 -0.001 0.000 0.230 234 G C 0.162 175.059 174.900 -0.004 0.000 1.386 234 G CA 0.081 45.169 45.100 -0.020 0.000 0.875 234 G HN 0.731 nan 8.290 nan 0.000 0.557 235 G N -1.744 107.062 108.800 0.008 0.000 2.592 235 G HA2 0.285 4.245 3.960 -0.001 0.000 0.684 235 G HA3 0.285 4.245 3.960 -0.001 0.000 0.684 235 G C 0.608 175.536 174.900 0.047 0.000 1.291 235 G CA 0.808 45.918 45.100 0.017 0.000 0.891 235 G HN 1.690 nan 8.290 nan 0.000 0.544 236 E N -0.241 119.990 120.200 0.052 0.000 2.077 236 E HA -0.087 4.263 4.350 -0.001 0.000 0.193 236 E C 2.570 179.248 176.600 0.129 0.000 0.989 236 E CA 1.977 58.425 56.400 0.081 0.000 0.800 236 E CB -0.712 29.029 29.700 0.068 0.000 0.746 236 E HN 0.923 nan 8.360 nan 0.000 0.452 237 G N 1.006 109.877 108.800 0.117 0.000 2.491 237 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.218 237 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.218 237 G C 1.685 176.710 174.900 0.208 0.000 1.180 237 G CA 1.371 46.577 45.100 0.178 0.000 0.774 237 G HN 0.440 nan 8.290 nan 0.000 0.562 238 A N 0.549 123.447 122.820 0.131 0.000 1.902 238 A HA -0.042 4.278 4.320 -0.001 0.000 0.217 238 A C 2.505 180.225 177.584 0.227 0.000 1.181 238 A CA 1.711 53.853 52.037 0.175 0.000 0.623 238 A CB -0.370 18.691 19.000 0.101 0.000 0.818 238 A HN 0.267 nan 8.150 nan 0.000 0.443 239 R N -0.404 120.202 120.500 0.177 0.000 2.083 239 R HA -0.156 4.184 4.340 -0.001 0.000 0.237 239 R C 2.182 178.606 176.300 0.208 0.000 1.137 239 R CA 1.852 58.054 56.100 0.170 0.000 0.951 239 R CB -0.517 29.861 30.300 0.129 0.000 0.851 239 R HN 0.498 nan 8.270 nan 0.000 0.434 240 K N -0.088 120.471 120.400 0.264 0.000 2.103 240 K HA -0.152 4.167 4.320 -0.001 0.000 0.204 240 K C 1.770 178.613 176.600 0.405 0.000 1.052 240 K CA 1.073 57.560 56.287 0.334 0.000 0.945 240 K CB -0.442 32.294 32.500 0.392 0.000 0.722 240 K HN 0.147 nan 8.250 nan 0.000 0.443 241 W N 0.029 121.407 121.300 0.130 0.000 2.381 241 W HA -0.102 4.558 4.660 0.000 0.000 0.301 241 W C 1.639 178.141 176.519 -0.029 0.000 1.205 241 W CA 1.151 58.404 57.345 -0.155 0.000 1.285 241 W CB -0.373 28.887 29.460 -0.333 0.000 1.133 241 W HN -0.134 nan 8.180 nan 0.000 0.521 242 V N 1.160 121.145 119.914 0.117 0.000 2.407 242 V HA -0.289 3.831 4.120 -0.001 0.000 0.248 242 V C 2.450 178.469 176.094 -0.124 0.000 1.055 242 V CA 2.000 64.264 62.300 -0.060 0.000 1.049 242 V CB -1.513 30.364 31.823 0.091 0.000 0.662 242 V HN 0.281 nan 8.190 nan 0.000 0.455 243 A N -0.500 122.334 122.820 0.024 0.000 1.978 243 A HA -0.206 4.114 4.320 -0.001 0.000 0.220 243 A C 2.166 179.832 177.584 0.138 0.000 1.170 243 A CA 1.656 53.757 52.037 0.106 0.000 0.636 243 A CB -0.337 18.791 19.000 0.214 0.000 0.810 243 A HN 0.532 nan 8.150 nan 0.000 0.448 244 E N 0.027 120.246 120.200 0.031 0.000 2.107 244 E HA -0.082 4.268 4.350 -0.001 0.000 0.191 244 E C 2.028 178.550 176.600 -0.131 0.000 0.982 244 E CA 0.669 57.066 56.400 -0.006 0.000 0.809 244 E CB -0.474 29.149 29.700 -0.129 0.000 0.756 244 E HN 0.675 nan 8.360 nan 0.000 0.459 245 L N 0.458 121.467 121.223 -0.357 0.000 2.083 245 L HA -0.152 4.187 4.340 -0.001 0.000 0.209 245 L C 2.546 179.301 176.870 -0.191 0.000 1.083 245 L CA 0.689 55.283 54.840 -0.411 0.000 0.752 245 L CB -0.310 41.434 42.059 -0.526 0.000 0.899 245 L HN 0.121 nan 8.230 nan 0.000 0.433 246 L N -1.881 119.261 121.223 -0.136 0.000 2.083 246 L HA -0.230 4.109 4.340 -0.001 0.000 0.209 246 L C 2.308 179.255 176.870 0.129 0.000 1.083 246 L CA 1.426 56.241 54.840 -0.042 0.000 0.752 246 L CB -0.380 41.614 42.059 -0.108 0.000 0.899 246 L HN 0.350 nan 8.230 nan 0.000 0.433 247 W N 0.044 121.361 121.300 0.028 0.000 2.350 247 W HA -0.210 4.450 4.660 -0.001 0.000 0.289 247 W C 2.846 179.339 176.519 -0.043 0.000 1.215 247 W CA 1.307 58.632 57.345 -0.033 0.000 1.236 247 W CB -0.130 29.159 29.460 -0.285 0.000 1.130 247 W HN 0.063 nan 8.180 nan 0.000 0.541 248 R N 0.341 120.897 120.500 0.093 0.000 2.066 248 R HA -0.161 4.179 4.340 -0.001 0.000 0.232 248 R C 1.672 177.931 176.300 -0.067 0.000 1.131 248 R CA 2.025 58.087 56.100 -0.062 0.000 0.955 248 R CB -0.511 29.745 30.300 -0.074 0.000 0.851 248 R HN 0.006 nan 8.270 nan 0.000 0.432 249 D N -0.207 120.294 120.400 0.168 0.000 2.178 249 D HA -0.166 4.474 4.640 -0.001 0.000 0.201 249 D C 1.490 177.936 176.300 0.244 0.000 0.980 249 D CA 0.801 55.009 54.000 0.346 0.000 0.842 249 D CB -0.216 40.807 40.800 0.370 0.000 0.948 249 D HN 0.165 nan 8.370 nan 0.000 0.472 250 F N 1.617 121.516 119.950 -0.085 0.000 2.171 250 F HA -0.152 4.375 4.527 -0.001 0.000 0.300 250 F C 2.310 177.955 175.800 -0.258 0.000 1.090 250 F CA 0.942 58.610 58.000 -0.555 0.000 1.293 250 F CB -0.347 38.306 39.000 -0.578 0.000 1.013 250 F HN -0.176 nan 8.300 nan 0.000 0.486 251 S N -0.466 115.090 115.700 -0.238 0.000 2.356 251 S HA -0.230 4.240 4.470 -0.001 0.000 0.223 251 S C 1.914 176.357 174.600 -0.262 0.000 1.032 251 S CA 1.703 59.706 58.200 -0.328 0.000 1.005 251 S CB -0.811 62.179 63.200 -0.351 0.000 0.867 251 S HN 0.555 nan 8.310 nan 0.000 0.449 252 Y N 0.395 120.700 120.300 0.008 0.000 2.242 252 Y HA -0.160 4.389 4.550 -0.001 0.000 0.291 252 Y C 2.587 178.500 175.900 0.021 0.000 1.137 252 Y CA 1.416 59.537 58.100 0.035 0.000 1.181 252 Y CB -0.503 37.994 38.460 0.061 0.000 0.989 252 Y HN 0.401 nan 8.280 nan 0.000 0.527 253 H N 0.393 119.480 119.070 0.028 0.000 2.319 253 H HA -0.178 4.378 4.556 -0.001 0.000 0.299 253 H C 1.926 177.281 175.328 0.045 0.000 1.092 253 H CA 2.106 58.177 56.048 0.038 0.000 1.302 253 H CB -0.415 29.239 29.762 -0.181 0.000 1.373 253 H HN 0.219 nan 8.280 nan 0.000 0.497 254 L N -0.560 120.561 121.223 -0.169 0.000 1.970 254 L HA -0.172 4.168 4.340 -0.001 0.000 0.212 254 L C 2.537 179.364 176.870 -0.072 0.000 1.071 254 L CA 1.203 55.961 54.840 -0.136 0.000 0.751 254 L CB -0.574 41.314 42.059 -0.285 0.000 0.889 254 L HN 0.309 nan 8.230 nan 0.000 0.432 255 L N -1.137 120.055 121.223 -0.052 0.000 2.127 255 L HA -0.271 4.069 4.340 -0.001 0.000 0.211 255 L C 2.399 179.236 176.870 -0.055 0.000 1.089 255 L CA 1.685 56.508 54.840 -0.029 0.000 0.757 255 L CB -0.666 41.427 42.059 0.056 0.000 0.899 255 L HN 0.188 nan 8.230 nan 0.000 0.434 256 Y N -0.682 119.521 120.300 -0.163 0.000 2.163 256 Y HA -0.249 4.301 4.550 -0.000 0.000 0.288 256 Y C 2.466 178.092 175.900 -0.456 0.000 1.136 256 Y CA 2.206 60.146 58.100 -0.266 0.000 1.147 256 Y CB -0.230 38.041 38.460 -0.315 0.000 0.987 256 Y HN 0.393 nan 8.280 nan 0.000 0.509 257 H N -2.110 116.621 119.070 -0.564 0.000 2.482 257 H HA 0.143 4.699 4.556 -0.001 0.000 0.286 257 H C -0.243 174.467 175.328 -1.029 0.000 1.017 257 H CA 1.122 56.632 56.048 -0.897 0.000 1.322 257 H CB -0.069 28.950 29.762 -1.239 0.000 1.426 257 H HN 0.193 nan 8.280 nan 0.000 0.546 258 F N -0.233 119.531 119.950 -0.310 0.000 2.449 258 F HA 0.300 4.826 4.527 -0.001 0.000 0.329 258 F C -1.962 173.388 175.800 -0.750 0.000 1.245 258 F CA -2.174 55.385 58.000 -0.735 0.000 1.193 258 F CB 1.572 39.983 39.000 -0.981 0.000 1.425 258 F HN -0.050 nan 8.300 nan 0.000 0.544 259 P HA -0.203 nan 4.420 nan 0.000 0.215 259 P C 1.719 178.984 177.300 -0.059 0.000 1.153 259 P CA 1.556 64.574 63.100 -0.136 0.000 0.853 259 P CB -0.077 31.599 31.700 -0.041 0.000 0.788 260 W N 0.822 122.185 121.300 0.104 0.000 2.560 260 W HA -0.086 4.574 4.660 -0.000 0.000 0.252 260 W C 1.373 177.978 176.519 0.143 0.000 1.242 260 W CA 0.756 58.169 57.345 0.113 0.000 1.242 260 W CB -1.879 27.644 29.460 0.105 0.000 1.136 260 W HN 0.111 nan 8.180 nan 0.000 0.625 261 M N 0.584 120.068 119.600 -0.193 0.000 2.557 261 M HA 0.286 4.766 4.480 -0.001 0.000 0.259 261 M C 2.006 178.397 176.300 0.151 0.000 1.086 261 M CA 1.848 57.094 55.300 -0.089 0.000 1.096 261 M CB -0.636 31.755 32.600 -0.349 0.000 1.424 261 M HN -0.111 nan 8.290 nan 0.000 0.488 262 A N 0.724 123.641 122.820 0.161 0.000 2.119 262 A HA -0.062 4.258 4.320 -0.001 0.000 0.216 262 A C 2.100 179.855 177.584 0.285 0.000 1.152 262 A CA 1.478 53.646 52.037 0.218 0.000 0.708 262 A CB -0.471 18.603 19.000 0.123 0.000 0.805 262 A HN 0.727 nan 8.150 nan 0.000 0.460 263 E N -0.290 120.099 120.200 0.315 0.000 2.132 263 E HA 0.019 4.368 4.350 -0.001 0.000 0.193 263 E C 0.628 177.506 176.600 0.464 0.000 0.951 263 E CA 0.065 56.633 56.400 0.281 0.000 0.843 263 E CB 0.189 30.030 29.700 0.235 0.000 0.807 263 E HN 0.697 nan 8.360 nan 0.000 0.467 264 R N 0.286 121.118 120.500 0.553 0.000 2.808 264 R HA 0.519 4.858 4.340 -0.001 0.000 0.272 264 R C -2.968 173.574 176.300 0.404 0.000 0.995 264 R CA -2.350 54.102 56.100 0.586 0.000 0.917 264 R CB 0.900 31.455 30.300 0.425 0.000 1.217 264 R HN -0.224 nan 8.270 nan 0.000 0.471 265 P HA -0.039 nan 4.420 nan 0.000 0.266 265 P C 0.602 177.998 177.300 0.160 0.000 1.193 265 P CA -0.007 63.075 63.100 -0.029 0.000 0.770 265 P CB 0.565 32.272 31.700 0.012 0.000 0.836 266 L N 0.870 122.092 121.223 -0.001 0.000 2.046 266 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 266 L C 1.050 178.011 176.870 0.153 0.000 1.077 266 L CA 1.381 56.241 54.840 0.034 0.000 0.747 266 L CB -0.346 41.589 42.059 -0.206 0.000 0.896 266 L HN 0.442 nan 8.230 nan 0.000 0.432 267 D N -0.389 120.049 120.400 0.064 0.000 2.374 267 D HA 0.070 4.710 4.640 -0.001 0.000 0.240 267 D C -1.646 174.772 176.300 0.197 0.000 1.229 267 D CA -2.121 51.945 54.000 0.111 0.000 0.895 267 D CB 1.337 42.177 40.800 0.066 0.000 1.046 267 D HN -0.081 nan 8.370 nan 0.000 0.498 268 P HA -0.195 nan 4.420 nan 0.000 0.217 268 P C 0.864 178.254 177.300 0.149 0.000 1.151 268 P CA 1.292 64.466 63.100 0.124 0.000 0.849 268 P CB -0.038 31.690 31.700 0.046 0.000 0.787 269 R N -1.984 118.620 120.500 0.174 0.000 2.369 269 R HA 0.017 4.357 4.340 -0.001 0.000 0.200 269 R C 0.578 176.912 176.300 0.056 0.000 1.046 269 R CA 0.939 57.100 56.100 0.102 0.000 1.057 269 R CB -1.070 29.279 30.300 0.083 0.000 0.888 269 R HN 0.194 nan 8.270 nan 0.000 0.474 270 F N 0.333 120.334 119.950 0.085 0.000 2.729 270 F HA 0.269 4.796 4.527 -0.000 0.000 0.315 270 F C 1.501 177.416 175.800 0.192 0.000 1.102 270 F CA -0.510 57.577 58.000 0.145 0.000 1.204 270 F CB 0.611 39.693 39.000 0.137 0.000 1.052 270 F HN -0.072 nan 8.300 nan 0.000 0.551 271 Q N 0.412 120.378 119.800 0.278 0.000 2.291 271 Q HA -0.030 4.310 4.340 -0.001 0.000 0.206 271 Q C 1.270 177.392 176.000 0.203 0.000 0.976 271 Q CA 1.256 57.210 55.803 0.251 0.000 0.875 271 Q CB -0.011 28.821 28.738 0.156 0.000 0.927 271 Q HN 0.300 nan 8.270 nan 0.000 0.450 272 A N -0.251 122.629 122.820 0.100 0.000 2.812 272 A HA 0.267 4.587 4.320 -0.001 0.000 0.294 272 A C -0.730 176.775 177.584 -0.132 0.000 1.014 272 A CA -0.616 51.423 52.037 0.004 0.000 1.024 272 A CB -0.051 18.922 19.000 -0.046 0.000 1.162 272 A HN 0.246 nan 8.150 nan 0.000 0.511 273 F N 2.081 121.829 119.950 -0.335 0.000 2.471 273 F HA 0.391 4.918 4.527 -0.000 0.000 0.353 273 F C -1.545 173.781 175.800 -0.791 0.000 1.113 273 F CA -1.519 56.059 58.000 -0.702 0.000 1.262 273 F CB 1.041 39.391 39.000 -1.083 0.000 1.146 273 F HN 0.172 nan 8.300 nan 0.000 0.578 274 P HA -0.025 nan 4.420 nan 0.000 0.237 274 P C -1.305 175.926 177.300 -0.116 0.000 1.788 274 P CA 0.009 62.850 63.100 -0.432 0.000 1.061 274 P CB -0.714 30.708 31.700 -0.463 0.000 1.967 275 W N 1.871 123.328 121.300 0.261 0.000 2.529 275 W HA 0.168 4.828 4.660 -0.000 0.000 0.319 275 W C 0.710 177.298 176.519 0.114 0.000 1.362 275 W CA -0.825 56.663 57.345 0.238 0.000 1.348 275 W CB 0.479 30.058 29.460 0.197 0.000 1.403 275 W HN 0.219 nan 8.180 nan 0.000 0.519 276 Q N 2.724 122.736 119.800 0.353 0.000 2.423 276 Q HA 0.019 4.358 4.340 -0.001 0.000 0.235 276 Q C 0.034 176.131 176.000 0.163 0.000 1.100 276 Q CA -0.309 55.612 55.803 0.197 0.000 0.908 276 Q CB 0.606 29.438 28.738 0.157 0.000 1.312 276 Q HN 0.270 nan 8.270 nan 0.000 0.497 277 E N 3.398 123.668 120.200 0.117 0.000 1.791 277 E HA -0.060 4.290 4.350 -0.001 0.000 0.263 277 E C -1.057 175.577 176.600 0.057 0.000 1.213 277 E CA 0.043 56.477 56.400 0.057 0.000 0.991 277 E CB 0.051 29.754 29.700 0.005 0.000 1.068 277 E HN 0.328 nan 8.360 nan 0.000 0.417 278 D N 3.996 124.449 120.400 0.089 0.000 2.427 278 D HA 0.022 4.662 4.640 -0.001 0.000 0.226 278 D C 0.520 176.902 176.300 0.136 0.000 1.076 278 D CA -0.288 53.772 54.000 0.100 0.000 0.849 278 D CB 1.191 42.057 40.800 0.111 0.000 1.052 278 D HN 0.422 nan 8.370 nan 0.000 0.515 279 E N 3.465 123.731 120.200 0.110 0.000 2.171 279 E HA -0.209 4.141 4.350 -0.001 0.000 0.197 279 E C 1.633 178.358 176.600 0.208 0.000 0.997 279 E CA 1.753 58.243 56.400 0.151 0.000 0.810 279 E CB -0.024 29.733 29.700 0.095 0.000 0.738 279 E HN 0.595 nan 8.360 nan 0.000 0.467 280 A N 0.101 123.019 122.820 0.163 0.000 1.873 280 A HA -0.108 4.212 4.320 -0.001 0.000 0.215 280 A C 2.320 180.021 177.584 0.195 0.000 1.186 280 A CA 1.354 53.486 52.037 0.158 0.000 0.616 280 A CB -0.674 18.398 19.000 0.121 0.000 0.823 280 A HN 0.337 nan 8.150 nan 0.000 0.442 281 L N -1.978 119.370 121.223 0.209 0.000 2.093 281 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 281 L C 2.463 179.526 176.870 0.323 0.000 1.085 281 L CA 1.292 56.275 54.840 0.238 0.000 0.755 281 L CB -0.477 41.704 42.059 0.203 0.000 0.904 281 L HN 0.507 nan 8.230 nan 0.000 0.435 282 F N 0.958 121.029 119.950 0.201 0.000 2.095 282 F HA -0.285 4.241 4.527 -0.001 0.000 0.298 282 F C 2.707 178.736 175.800 0.382 0.000 1.104 282 F CA 1.651 59.814 58.000 0.272 0.000 1.232 282 F CB -0.235 38.859 39.000 0.157 0.000 0.987 282 F HN 0.081 nan 8.300 nan 0.000 0.475 283 Q N 0.561 120.477 119.800 0.193 0.000 2.084 283 Q HA -0.147 4.193 4.340 -0.001 0.000 0.202 283 Q C 2.569 178.638 176.000 0.114 0.000 0.978 283 Q CA 1.509 57.380 55.803 0.114 0.000 0.844 283 Q CB -1.311 27.526 28.738 0.165 0.000 0.898 283 Q HN 0.539 nan 8.270 nan 0.000 0.426 284 A N 0.373 123.294 122.820 0.168 0.000 1.892 284 A HA -0.216 4.104 4.320 -0.001 0.000 0.218 284 A C 1.915 179.616 177.584 0.195 0.000 1.188 284 A CA 1.698 53.838 52.037 0.172 0.000 0.631 284 A CB -1.146 17.984 19.000 0.216 0.000 0.822 284 A HN 0.563 nan 8.150 nan 0.000 0.447 285 W N -1.013 120.341 121.300 0.089 0.000 2.378 285 W HA -0.177 4.483 4.660 -0.000 0.000 0.313 285 W C 2.066 178.615 176.519 0.050 0.000 1.197 285 W CA 1.864 59.280 57.345 0.118 0.000 1.304 285 W CB -0.781 28.778 29.460 0.166 0.000 1.148 285 W HN 0.425 nan 8.180 nan 0.000 0.494 286 Y N 1.721 121.871 120.300 -0.251 0.000 2.193 286 Y HA -0.248 4.302 4.550 -0.000 0.000 0.285 286 Y C 2.064 177.816 175.900 -0.248 0.000 1.166 286 Y CA 2.474 60.301 58.100 -0.456 0.000 1.181 286 Y CB -0.314 37.819 38.460 -0.545 0.000 0.976 286 Y HN -0.016 nan 8.280 nan 0.000 0.520 287 E N -0.718 119.339 120.200 -0.239 0.000 2.447 287 E HA 0.164 4.513 4.350 -0.001 0.000 0.195 287 E C 1.407 177.838 176.600 -0.281 0.000 1.028 287 E CA 0.754 56.955 56.400 -0.331 0.000 0.876 287 E CB -0.183 29.423 29.700 -0.156 0.000 0.885 287 E HN 0.454 nan 8.360 nan 0.000 0.500 288 G N 2.491 111.155 108.800 -0.226 0.000 2.248 288 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.263 288 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.263 288 G C 0.209 175.080 174.900 -0.048 0.000 1.082 288 G CA 0.078 45.081 45.100 -0.161 0.000 0.863 288 G HN 0.006 nan 8.290 nan 0.000 0.495 289 K N 0.531 120.937 120.400 0.010 0.000 3.202 289 K HA 0.255 4.574 4.320 -0.001 0.000 0.206 289 K C 1.629 178.308 176.600 0.131 0.000 1.142 289 K CA 0.469 56.795 56.287 0.065 0.000 0.979 289 K CB 0.398 32.923 32.500 0.043 0.000 0.863 289 K HN 0.564 nan 8.250 nan 0.000 0.479 290 T N -3.840 110.808 114.554 0.157 0.000 3.057 290 T HA 0.124 4.474 4.350 -0.001 0.000 0.254 290 T C 1.422 176.250 174.700 0.214 0.000 1.094 290 T CA 0.895 63.141 62.100 0.244 0.000 1.088 290 T CB 0.267 69.351 68.868 0.361 0.000 0.934 290 T HN 0.389 nan 8.240 nan 0.000 0.497 291 G N 0.748 109.664 108.800 0.193 0.000 2.234 291 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.235 291 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.235 291 G C 0.087 175.068 174.900 0.135 0.000 0.997 291 G CA -0.127 45.126 45.100 0.255 0.000 0.623 291 G HN 0.708 nan 8.290 nan 0.000 0.514 292 V N 2.532 122.414 119.914 -0.052 0.000 2.405 292 V HA 0.261 4.381 4.120 -0.001 0.000 0.264 292 V C -0.179 175.602 176.094 -0.522 0.000 1.048 292 V CA -0.431 61.724 62.300 -0.242 0.000 0.966 292 V CB 1.267 32.876 31.823 -0.357 0.000 1.015 292 V HN 0.084 nan 8.190 nan 0.000 0.477 293 P HA -0.232 nan 4.420 nan 0.000 0.217 293 P C 1.732 178.695 177.300 -0.561 0.000 1.158 293 P CA 1.195 63.604 63.100 -1.152 0.000 0.887 293 P CB 0.208 31.351 31.700 -0.930 0.000 0.792 294 L N -0.456 120.649 121.223 -0.197 0.000 1.948 294 L HA -0.154 4.186 4.340 -0.001 0.000 0.212 294 L C 2.243 179.105 176.870 -0.013 0.000 1.074 294 L CA 1.948 56.857 54.840 0.116 0.000 0.753 294 L CB -1.374 40.819 42.059 0.223 0.000 0.888 294 L HN -0.189 nan 8.230 nan 0.000 0.432 295 V N 0.337 120.145 119.914 -0.176 0.000 2.278 295 V HA -0.376 3.744 4.120 -0.001 0.000 0.251 295 V C 2.348 178.341 176.094 -0.168 0.000 1.062 295 V CA 2.164 64.350 62.300 -0.191 0.000 1.038 295 V CB -1.021 30.540 31.823 -0.438 0.000 0.646 295 V HN 0.507 nan 8.190 nan 0.000 0.447 296 D N 0.343 120.614 120.400 -0.214 0.000 2.104 296 D HA -0.149 4.491 4.640 -0.001 0.000 0.194 296 D C 2.194 178.391 176.300 -0.172 0.000 0.994 296 D CA 1.784 55.687 54.000 -0.161 0.000 0.830 296 D CB -0.470 40.269 40.800 -0.102 0.000 0.959 296 D HN 0.451 nan 8.370 nan 0.000 0.452 297 A N 0.503 123.175 122.820 -0.247 0.000 1.972 297 A HA 0.007 4.327 4.320 -0.001 0.000 0.219 297 A C 2.226 179.575 177.584 -0.392 0.000 1.169 297 A CA 2.037 53.849 52.037 -0.374 0.000 0.635 297 A CB -0.721 17.837 19.000 -0.738 0.000 0.810 297 A HN 0.237 nan 8.150 nan 0.000 0.446 298 A N -0.713 122.031 122.820 -0.128 0.000 1.855 298 A HA -0.092 4.227 4.320 -0.001 0.000 0.215 298 A C 2.103 179.586 177.584 -0.168 0.000 1.191 298 A CA 1.931 53.985 52.037 0.029 0.000 0.613 298 A CB -0.467 18.621 19.000 0.148 0.000 0.829 298 A HN 0.396 nan 8.150 nan 0.000 0.442 299 M N -0.343 119.144 119.600 -0.190 0.000 2.296 299 M HA -0.054 4.425 4.480 -0.001 0.000 0.265 299 M C 2.032 178.221 176.300 -0.186 0.000 1.064 299 M CA 1.189 56.341 55.300 -0.246 0.000 1.109 299 M CB -1.185 31.206 32.600 -0.349 0.000 1.396 299 M HN 0.417 nan 8.290 nan 0.000 0.430 300 R N -0.339 120.038 120.500 -0.204 0.000 2.119 300 R HA -0.086 4.253 4.340 -0.001 0.000 0.222 300 R C 2.114 178.265 176.300 -0.248 0.000 1.088 300 R CA 1.053 57.069 56.100 -0.139 0.000 0.984 300 R CB -0.184 30.094 30.300 -0.038 0.000 0.884 300 R HN 0.502 nan 8.270 nan 0.000 0.447 301 E N 1.087 120.900 120.200 -0.646 0.000 2.072 301 E HA -0.173 4.176 4.350 -0.001 0.000 0.190 301 E C 1.915 178.147 176.600 -0.614 0.000 0.982 301 E CA 0.603 56.225 56.400 -1.297 0.000 0.803 301 E CB 0.068 28.735 29.700 -1.723 0.000 0.755 301 E HN 0.095 nan 8.360 nan 0.000 0.453 302 L N 1.464 122.419 121.223 -0.447 0.000 2.012 302 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 302 L C 2.230 178.893 176.870 -0.346 0.000 1.073 302 L CA 2.020 56.618 54.840 -0.402 0.000 0.748 302 L CB -0.826 40.948 42.059 -0.475 0.000 0.891 302 L HN 0.291 nan 8.230 nan 0.000 0.431 303 H N -0.882 118.000 119.070 -0.313 0.000 2.387 303 H HA -0.024 4.532 4.556 -0.001 0.000 0.299 303 H C 2.001 177.245 175.328 -0.140 0.000 1.090 303 H CA 1.459 57.367 56.048 -0.235 0.000 1.332 303 H CB 0.077 29.689 29.762 -0.251 0.000 1.386 303 H HN 0.545 nan 8.280 nan 0.000 0.516 304 A N 0.267 123.086 122.820 -0.001 0.000 1.903 304 A HA -0.087 4.233 4.320 -0.001 0.000 0.213 304 A C 2.543 180.147 177.584 0.034 0.000 1.185 304 A CA 1.727 53.801 52.037 0.061 0.000 0.628 304 A CB -0.409 18.723 19.000 0.220 0.000 0.830 304 A HN 0.517 nan 8.150 nan 0.000 0.446 305 T N -5.452 109.077 114.554 -0.041 0.000 3.023 305 T HA 0.413 4.762 4.350 -0.001 0.000 0.249 305 T C 1.500 176.165 174.700 -0.058 0.000 1.050 305 T CA 1.200 63.293 62.100 -0.012 0.000 1.088 305 T CB 0.242 69.129 68.868 0.032 0.000 0.946 305 T HN 1.672 nan 8.240 nan 0.000 0.480 306 G N 1.049 109.776 108.800 -0.122 0.000 2.157 306 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.248 306 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.248 306 G C -0.174 174.668 174.900 -0.097 0.000 0.979 306 G CA 0.213 45.226 45.100 -0.144 0.000 0.650 306 G HN 0.714 nan 8.290 nan 0.000 0.529 307 F N -0.570 119.244 119.950 -0.227 0.000 2.588 307 F HA 0.854 5.381 4.527 -0.000 0.000 0.314 307 F C -1.017 174.667 175.800 -0.193 0.000 1.069 307 F CA -1.580 56.306 58.000 -0.190 0.000 0.931 307 F CB 1.905 40.819 39.000 -0.143 0.000 1.260 307 F HN 0.176 nan 8.300 nan 0.000 0.465 308 L N 3.293 123.830 121.223 -1.143 0.000 2.549 308 L HA 0.421 4.761 4.340 -0.001 0.000 0.259 308 L C -0.686 175.680 176.870 -0.841 0.000 0.934 308 L CA -0.370 54.065 54.840 -0.675 0.000 0.865 308 L CB 2.138 43.942 42.059 -0.426 0.000 1.352 308 L HN 0.736 nan 8.230 nan 0.000 0.410 309 S N 2.057 117.513 115.700 -0.408 0.000 2.580 309 S HA 0.055 4.524 4.470 -0.001 0.000 0.266 309 S C 0.933 175.353 174.600 -0.300 0.000 1.354 309 S CA 0.612 58.649 58.200 -0.271 0.000 1.008 309 S CB 0.462 63.535 63.200 -0.212 0.000 0.898 309 S HN 0.777 nan 8.310 nan 0.000 0.555 310 N N 1.079 119.640 118.700 -0.232 0.000 2.142 310 N HA -0.154 4.586 4.740 -0.001 0.000 0.186 310 N C 1.853 177.192 175.510 -0.284 0.000 1.023 310 N CA 1.484 54.389 53.050 -0.242 0.000 0.852 310 N CB -0.366 37.988 38.487 -0.222 0.000 0.998 310 N HN 0.699 nan 8.380 nan 0.000 0.424 311 R N 0.539 120.841 120.500 -0.330 0.000 2.081 311 R HA 0.102 4.442 4.340 -0.001 0.000 0.235 311 R C 1.941 177.994 176.300 -0.412 0.000 1.131 311 R CA 1.728 57.579 56.100 -0.416 0.000 0.960 311 R CB -1.073 28.927 30.300 -0.501 0.000 0.856 311 R HN 0.267 nan 8.270 nan 0.000 0.436 312 A N 0.805 123.396 122.820 -0.382 0.000 1.877 312 A HA -0.152 4.168 4.320 -0.001 0.000 0.216 312 A C 2.199 179.676 177.584 -0.179 0.000 1.186 312 A CA 1.670 53.533 52.037 -0.291 0.000 0.620 312 A CB -0.494 18.348 19.000 -0.263 0.000 0.822 312 A HN 0.414 nan 8.150 nan 0.000 0.443 313 R N -0.317 120.087 120.500 -0.160 0.000 2.081 313 R HA -0.176 4.164 4.340 -0.001 0.000 0.235 313 R C 2.391 178.545 176.300 -0.244 0.000 1.131 313 R CA 1.854 57.916 56.100 -0.063 0.000 0.960 313 R CB -0.657 29.633 30.300 -0.016 0.000 0.856 313 R HN 0.857 nan 8.270 nan 0.000 0.436 314 M N -0.202 119.229 119.600 -0.282 0.000 2.229 314 M HA -0.038 4.442 4.480 -0.001 0.000 0.264 314 M C 1.398 177.488 176.300 -0.350 0.000 1.063 314 M CA 1.550 56.682 55.300 -0.280 0.000 1.114 314 M CB -0.302 32.212 32.600 -0.144 0.000 1.387 314 M HN -0.066 nan 8.290 nan 0.000 0.420 315 N N 1.739 120.172 118.700 -0.445 0.000 2.081 315 N HA -0.007 4.733 4.740 -0.001 0.000 0.191 315 N C 2.109 177.562 175.510 -0.095 0.000 1.053 315 N CA 1.958 54.800 53.050 -0.346 0.000 0.846 315 N CB -0.587 37.710 38.487 -0.317 0.000 1.032 315 N HN 0.477 nan 8.380 nan 0.000 0.431 316 A N 1.184 123.984 122.820 -0.034 0.000 1.958 316 A HA -0.169 4.151 4.320 -0.001 0.000 0.221 316 A C 2.333 180.039 177.584 0.204 0.000 1.178 316 A CA 2.459 54.609 52.037 0.190 0.000 0.642 316 A CB -0.884 18.246 19.000 0.216 0.000 0.816 316 A HN 0.413 nan 8.150 nan 0.000 0.453 317 A N -1.361 121.275 122.820 -0.306 0.000 1.897 317 A HA -0.157 4.162 4.320 -0.001 0.000 0.215 317 A C 2.207 179.441 177.584 -0.583 0.000 1.181 317 A CA 1.693 53.154 52.037 -0.959 0.000 0.620 317 A CB -0.509 17.456 19.000 -1.726 0.000 0.821 317 A HN 0.661 nan 8.150 nan 0.000 0.443 318 Q N -1.755 117.851 119.800 -0.323 0.000 2.083 318 Q HA -0.154 4.186 4.340 -0.001 0.000 0.198 318 Q C 1.860 177.727 176.000 -0.222 0.000 0.969 318 Q CA 1.480 57.143 55.803 -0.234 0.000 0.838 318 Q CB -0.259 28.451 28.738 -0.046 0.000 0.900 318 Q HN 0.596 nan 8.270 nan 0.000 0.436 319 F N 0.993 120.778 119.950 -0.276 0.000 2.087 319 F HA -0.288 4.239 4.527 -0.000 0.000 0.299 319 F C 2.039 177.737 175.800 -0.171 0.000 1.100 319 F CA 1.848 59.671 58.000 -0.294 0.000 1.226 319 F CB -0.549 38.425 39.000 -0.043 0.000 0.983 319 F HN 0.170 nan 8.300 nan 0.000 0.479 320 A N -0.664 122.064 122.820 -0.153 0.000 1.898 320 A HA -0.103 4.216 4.320 -0.001 0.000 0.216 320 A C 2.295 179.683 177.584 -0.327 0.000 1.181 320 A CA 1.904 53.671 52.037 -0.450 0.000 0.620 320 A CB -1.255 17.107 19.000 -1.064 0.000 0.819 320 A HN 0.272 nan 8.150 nan 0.000 0.442 321 V N -0.412 119.339 119.914 -0.272 0.000 2.488 321 V HA -0.158 3.962 4.120 -0.001 0.000 0.246 321 V C 2.341 178.310 176.094 -0.209 0.000 1.046 321 V CA 2.254 64.393 62.300 -0.268 0.000 1.053 321 V CB -0.439 31.219 31.823 -0.275 0.000 0.679 321 V HN 0.541 nan 8.190 nan 0.000 0.458 322 K N -1.246 118.945 120.400 -0.349 0.000 2.240 322 K HA 0.142 4.462 4.320 -0.001 0.000 0.202 322 K C 1.951 178.510 176.600 -0.069 0.000 1.053 322 K CA 0.549 56.547 56.287 -0.481 0.000 0.973 322 K CB -0.075 31.956 32.500 -0.782 0.000 0.924 322 K HN 0.541 nan 8.250 nan 0.000 0.477 323 H N 0.050 118.927 119.070 -0.322 0.000 2.547 323 H HA 0.120 4.676 4.556 -0.000 0.000 0.272 323 H C 1.318 176.444 175.328 -0.337 0.000 0.989 323 H CA 0.491 56.320 56.048 -0.365 0.000 1.214 323 H CB 0.401 29.715 29.762 -0.746 0.000 1.389 323 H HN 0.031 nan 8.280 nan 0.000 0.577 324 L N -0.208 120.921 121.223 -0.156 0.000 3.039 324 L HA 0.138 4.478 4.340 -0.001 0.000 0.269 324 L C 0.414 177.332 176.870 0.079 0.000 1.169 324 L CA 0.005 54.809 54.840 -0.060 0.000 0.986 324 L CB 0.905 42.898 42.059 -0.110 0.000 1.377 324 L HN 0.142 nan 8.230 nan 0.000 0.575 325 L N 0.810 122.127 121.223 0.155 0.000 3.976 325 L HA -0.252 4.088 4.340 -0.001 0.000 0.418 325 L C 0.050 177.143 176.870 0.372 0.000 1.177 325 L CA 0.372 55.475 54.840 0.438 0.000 0.968 325 L CB -1.855 40.506 42.059 0.504 0.000 1.933 325 L HN 0.265 nan 8.230 nan 0.000 0.976 326 L N 2.032 123.300 121.223 0.073 0.000 2.416 326 L HA 0.254 4.594 4.340 -0.001 0.000 0.272 326 L C -1.237 175.499 176.870 -0.223 0.000 1.161 326 L CA -1.500 53.330 54.840 -0.018 0.000 0.845 326 L CB 0.153 42.163 42.059 -0.082 0.000 1.119 326 L HN -0.115 nan 8.230 nan 0.000 0.464 327 P HA -0.122 nan 4.420 nan 0.000 0.265 327 P C 0.327 177.244 177.300 -0.638 0.000 1.193 327 P CA -0.109 62.656 63.100 -0.559 0.000 0.765 327 P CB 0.431 31.942 31.700 -0.315 0.000 0.823 328 W N 4.931 125.714 121.300 -0.862 0.000 2.388 328 W HA -0.040 4.619 4.660 -0.001 0.000 0.294 328 W C 1.254 177.427 176.519 -0.577 0.000 1.212 328 W CA 0.651 57.598 57.345 -0.663 0.000 1.271 328 W CB -1.537 27.619 29.460 -0.508 0.000 1.126 328 W HN 0.290 nan 8.180 nan 0.000 0.535 329 K N 0.691 120.237 120.400 -1.424 0.000 2.059 329 K HA -0.256 4.064 4.320 -0.001 0.000 0.212 329 K C 2.461 178.655 176.600 -0.678 0.000 1.050 329 K CA 2.578 58.159 56.287 -1.178 0.000 0.927 329 K CB -0.403 31.442 32.500 -1.091 0.000 0.714 329 K HN 0.062 nan 8.250 nan 0.000 0.447 330 R N 0.369 120.517 120.500 -0.586 0.000 2.073 330 R HA -0.098 4.242 4.340 -0.001 0.000 0.229 330 R C 2.367 178.463 176.300 -0.340 0.000 1.120 330 R CA 1.501 57.327 56.100 -0.457 0.000 0.967 330 R CB -0.283 29.696 30.300 -0.535 0.000 0.862 330 R HN 0.262 nan 8.270 nan 0.000 0.436 331 C N 1.095 120.157 119.300 -0.396 0.000 2.429 331 C HA -0.097 4.363 4.460 -0.001 0.000 0.277 331 C C 2.513 177.126 174.990 -0.628 0.000 1.262 331 C CA 1.303 60.111 59.018 -0.349 0.000 1.733 331 C CB -0.756 26.521 27.740 -0.773 0.000 2.010 331 C HN 0.687 nan 8.230 nan 0.000 0.483 332 E N 1.731 121.270 120.200 -1.102 0.000 2.150 332 E HA -0.211 4.138 4.350 -0.001 0.000 0.193 332 E C 1.592 177.964 176.600 -0.380 0.000 0.985 332 E CA 1.861 57.587 56.400 -1.124 0.000 0.814 332 E CB -0.502 28.637 29.700 -0.934 0.000 0.752 332 E HN 0.608 nan 8.360 nan 0.000 0.466 333 E N 0.373 120.368 120.200 -0.342 0.000 2.047 333 E HA -0.022 4.328 4.350 -0.001 0.000 0.191 333 E C 2.043 178.431 176.600 -0.353 0.000 0.987 333 E CA 1.620 57.807 56.400 -0.355 0.000 0.799 333 E CB -0.439 29.063 29.700 -0.330 0.000 0.752 333 E HN 0.413 nan 8.360 nan 0.000 0.449 334 A N -0.190 122.601 122.820 -0.050 0.000 1.972 334 A HA -0.168 4.151 4.320 -0.001 0.000 0.219 334 A C 2.033 179.810 177.584 0.323 0.000 1.169 334 A CA 1.112 53.272 52.037 0.205 0.000 0.635 334 A CB -0.758 18.514 19.000 0.454 0.000 0.810 334 A HN 0.370 nan 8.150 nan 0.000 0.446 335 F N 0.215 120.271 119.950 0.177 0.000 2.075 335 F HA -0.113 4.414 4.527 -0.000 0.000 0.297 335 F C 2.415 178.290 175.800 0.125 0.000 1.113 335 F CA 1.905 60.050 58.000 0.241 0.000 1.218 335 F CB -0.379 38.912 39.000 0.485 0.000 0.984 335 F HN 0.192 nan 8.300 nan 0.000 0.472 336 R N -0.616 120.008 120.500 0.207 0.000 2.096 336 R HA -0.223 4.117 4.340 -0.001 0.000 0.240 336 R C 2.210 178.581 176.300 0.118 0.000 1.139 336 R CA 2.246 58.413 56.100 0.113 0.000 0.952 336 R CB -0.709 29.622 30.300 0.051 0.000 0.854 336 R HN 0.487 nan 8.270 nan 0.000 0.436 337 H N -0.612 118.499 119.070 0.068 0.000 2.489 337 H HA -0.070 4.486 4.556 -0.001 0.000 0.293 337 H C 1.686 177.007 175.328 -0.011 0.000 1.066 337 H CA 0.910 56.983 56.048 0.042 0.000 1.305 337 H CB 0.135 29.936 29.762 0.065 0.000 1.386 337 H HN 0.234 nan 8.280 nan 0.000 0.551 338 L N 0.679 121.920 121.223 0.030 0.000 2.567 338 L HA 0.122 4.461 4.340 -0.001 0.000 0.225 338 L C -0.011 176.746 176.870 -0.188 0.000 1.119 338 L CA -0.035 54.719 54.840 -0.143 0.000 0.871 338 L CB 0.361 42.205 42.059 -0.358 0.000 1.036 338 L HN 0.127 nan 8.230 nan 0.000 0.459 339 L N 0.116 121.255 121.223 -0.141 0.000 2.289 339 L HA 0.192 4.531 4.340 -0.001 0.000 0.285 339 L C 1.102 177.945 176.870 -0.045 0.000 1.049 339 L CA -0.367 54.392 54.840 -0.135 0.000 0.804 339 L CB 1.851 43.831 42.059 -0.132 0.000 1.195 339 L HN 0.071 nan 8.230 nan 0.000 0.428 340 L N 1.630 122.800 121.223 -0.089 0.000 2.141 340 L HA -0.153 4.187 4.340 -0.001 0.000 0.209 340 L C 1.296 178.176 176.870 0.017 0.000 1.094 340 L CA 1.003 55.762 54.840 -0.135 0.000 0.763 340 L CB -0.275 41.514 42.059 -0.449 0.000 0.908 340 L HN 0.808 nan 8.230 nan 0.000 0.437 341 D N -0.708 119.725 120.400 0.055 0.000 2.342 341 D HA 0.033 4.673 4.640 -0.001 0.000 0.221 341 D C 1.041 177.434 176.300 0.155 0.000 1.101 341 D CA -0.210 53.883 54.000 0.156 0.000 0.837 341 D CB -0.346 40.562 40.800 0.180 0.000 0.938 341 D HN 0.027 nan 8.370 nan 0.000 0.508 342 G N 0.855 109.730 108.800 0.125 0.000 2.138 342 G HA2 0.113 4.072 3.960 -0.001 0.000 0.263 342 G HA3 0.113 4.072 3.960 -0.001 0.000 0.263 342 G C -0.519 174.486 174.900 0.175 0.000 1.103 342 G CA -0.042 45.141 45.100 0.139 0.000 1.014 342 G HN 0.269 nan 8.290 nan 0.000 0.418 343 D N 2.224 122.731 120.400 0.178 0.000 2.593 343 D HA 0.199 4.838 4.640 -0.001 0.000 0.251 343 D C 1.257 177.664 176.300 0.178 0.000 1.140 343 D CA -0.815 53.304 54.000 0.199 0.000 0.855 343 D CB 1.485 42.416 40.800 0.218 0.000 1.267 343 D HN 0.335 nan 8.370 nan 0.000 0.532 344 R N 2.926 123.533 120.500 0.178 0.000 2.097 344 R HA -0.216 4.123 4.340 -0.001 0.000 0.236 344 R C 1.934 178.318 176.300 0.140 0.000 1.135 344 R CA 2.420 58.611 56.100 0.152 0.000 0.934 344 R CB -0.167 30.221 30.300 0.146 0.000 0.846 344 R HN 0.514 nan 8.270 nan 0.000 0.431 345 A N -0.184 122.731 122.820 0.158 0.000 1.877 345 A HA -0.130 4.190 4.320 -0.001 0.000 0.216 345 A C 2.314 179.891 177.584 -0.011 0.000 1.186 345 A CA 1.861 53.949 52.037 0.086 0.000 0.620 345 A CB -0.657 18.434 19.000 0.152 0.000 0.822 345 A HN 0.252 nan 8.150 nan 0.000 0.443 346 V N 0.667 120.553 119.914 -0.047 0.000 2.358 346 V HA -0.245 3.875 4.120 -0.001 0.000 0.246 346 V C 2.407 178.534 176.094 0.056 0.000 1.047 346 V CA 2.303 64.567 62.300 -0.060 0.000 1.035 346 V CB -1.167 30.618 31.823 -0.064 0.000 0.658 346 V HN 0.730 nan 8.190 nan 0.000 0.452 347 N N 0.035 118.820 118.700 0.142 0.000 2.166 347 N HA -0.156 4.584 4.740 -0.001 0.000 0.186 347 N C 1.589 177.300 175.510 0.335 0.000 1.019 347 N CA 1.131 54.347 53.050 0.277 0.000 0.856 347 N CB -0.226 38.444 38.487 0.304 0.000 0.993 347 N HN 0.325 nan 8.380 nan 0.000 0.426 348 L N 0.918 122.268 121.223 0.212 0.000 2.027 348 L HA -0.141 4.199 4.340 -0.001 0.000 0.206 348 L C 2.355 179.314 176.870 0.148 0.000 1.074 348 L CA 1.881 56.840 54.840 0.199 0.000 0.745 348 L CB -1.133 41.008 42.059 0.136 0.000 0.898 348 L HN 0.427 nan 8.230 nan 0.000 0.433 349 Q N -1.205 118.639 119.800 0.073 0.000 2.119 349 Q HA -0.042 4.297 4.340 -0.001 0.000 0.201 349 Q C 2.047 178.105 176.000 0.097 0.000 0.972 349 Q CA 1.877 57.705 55.803 0.041 0.000 0.847 349 Q CB -1.453 27.272 28.738 -0.022 0.000 0.903 349 Q HN 0.343 nan 8.270 nan 0.000 0.433 350 G N -0.322 108.526 108.800 0.080 0.000 2.422 350 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.218 350 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.218 350 G C 0.711 175.614 174.900 0.005 0.000 1.146 350 G CA 0.656 45.768 45.100 0.020 0.000 0.769 350 G HN 0.470 nan 8.290 nan 0.000 0.547 351 W N 0.418 121.709 121.300 -0.014 0.000 2.443 351 W HA 0.146 4.805 4.660 -0.001 0.000 0.296 351 W C 2.903 179.329 176.519 -0.155 0.000 1.202 351 W CA 0.857 58.151 57.345 -0.085 0.000 1.312 351 W CB -0.073 29.356 29.460 -0.052 0.000 1.120 351 W HN 0.171 nan 8.180 nan 0.000 0.536 352 Q N -1.442 118.383 119.800 0.041 0.000 2.515 352 Q HA -0.171 4.169 4.340 -0.001 0.000 0.212 352 Q C 1.510 177.457 176.000 -0.089 0.000 0.970 352 Q CA 0.926 56.630 55.803 -0.165 0.000 0.941 352 Q CB -0.235 28.364 28.738 -0.232 0.000 0.998 352 Q HN 0.427 nan 8.270 nan 0.000 0.518 353 W N -0.473 120.720 121.300 -0.178 0.000 2.846 353 W HA 0.199 4.859 4.660 -0.000 0.000 0.273 353 W C 1.996 178.390 176.519 -0.209 0.000 1.081 353 W CA 0.919 58.165 57.345 -0.165 0.000 1.692 353 W CB -0.320 29.063 29.460 -0.128 0.000 1.106 353 W HN -0.069 nan 8.180 nan 0.000 0.577 354 A N 0.404 123.157 122.820 -0.111 0.000 2.121 354 A HA 0.071 4.391 4.320 -0.001 0.000 0.218 354 A C 1.965 179.308 177.584 -0.402 0.000 1.154 354 A CA 1.589 53.428 52.037 -0.330 0.000 0.679 354 A CB -1.354 17.544 19.000 -0.171 0.000 0.795 354 A HN 0.429 nan 8.150 nan 0.000 0.458 355 G N -1.543 107.046 108.800 -0.353 0.000 3.042 355 G HA2 0.375 4.335 3.960 -0.001 0.000 0.212 355 G HA3 0.375 4.335 3.960 -0.001 0.000 0.212 355 G C 1.012 175.676 174.900 -0.393 0.000 1.166 355 G CA 0.491 45.385 45.100 -0.343 0.000 0.767 355 G HN 1.488 nan 8.290 nan 0.000 0.546 356 G N 0.372 108.896 108.800 -0.461 0.000 2.350 356 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.298 356 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.298 356 G C 0.686 175.236 174.900 -0.584 0.000 1.037 356 G CA 0.418 45.234 45.100 -0.472 0.000 1.074 356 G HN 0.501 nan 8.290 nan 0.000 0.511 357 L N -0.862 120.055 121.223 -0.509 0.000 2.728 357 L HA 0.457 4.796 4.340 -0.001 0.000 0.238 357 L C 1.916 178.563 176.870 -0.372 0.000 1.143 357 L CA 0.650 55.153 54.840 -0.562 0.000 0.937 357 L CB 0.288 42.022 42.059 -0.542 0.000 1.225 357 L HN 0.873 nan 8.230 nan 0.000 0.507 358 G N -0.530 108.107 108.800 -0.271 0.000 2.485 358 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.181 358 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.181 358 G C 0.083 174.947 174.900 -0.060 0.000 0.999 358 G CA -0.469 44.546 45.100 -0.141 0.000 0.721 358 G HN -0.033 nan 8.290 nan 0.000 0.486 359 V N 1.805 121.715 119.914 -0.008 0.000 2.614 359 V HA 0.456 4.576 4.120 -0.001 0.000 0.291 359 V C 1.236 177.541 176.094 0.352 0.000 1.049 359 V CA 1.189 63.590 62.300 0.169 0.000 1.038 359 V CB 1.373 33.350 31.823 0.257 0.000 0.980 359 V HN 0.520 nan 8.190 nan 0.000 0.481 360 D N 4.396 125.045 120.400 0.414 0.000 2.882 360 D HA -0.282 4.358 4.640 -0.001 0.000 0.229 360 D C 0.893 177.355 176.300 0.269 0.000 1.167 360 D CA 1.403 55.666 54.000 0.439 0.000 0.759 360 D CB -0.939 40.264 40.800 0.673 0.000 1.088 360 D HN 1.519 nan 8.370 nan 0.000 0.425 361 A N -2.183 120.729 122.820 0.154 0.000 2.715 361 A HA -0.041 4.279 4.320 -0.001 0.000 0.301 361 A C 1.024 178.600 177.584 -0.013 0.000 1.515 361 A CA 1.767 53.840 52.037 0.060 0.000 0.816 361 A CB -1.950 17.096 19.000 0.077 0.000 1.004 361 A HN 1.629 nan 8.150 nan 0.000 0.483 362 A N 0.822 123.605 122.820 -0.062 0.000 2.492 362 A HA 0.534 4.854 4.320 -0.001 0.000 0.254 362 A C -0.918 176.437 177.584 -0.382 0.000 1.091 362 A CA -0.406 51.476 52.037 -0.258 0.000 0.768 362 A CB -0.037 18.624 19.000 -0.565 0.000 1.028 362 A HN 0.658 nan 8.150 nan 0.000 0.498 363 P HA 0.050 nan 4.420 nan 0.000 0.271 363 P C 0.048 176.854 177.300 -0.824 0.000 1.216 363 P CA -0.029 62.562 63.100 -0.847 0.000 0.771 363 P CB 0.410 31.166 31.700 -1.572 0.000 0.864 364 Y N 2.307 122.346 120.300 -0.434 0.000 2.293 364 Y HA -0.143 4.407 4.550 -0.001 0.000 0.291 364 Y C 1.988 177.848 175.900 -0.067 0.000 1.137 364 Y CA 0.694 58.705 58.100 -0.149 0.000 1.202 364 Y CB -2.018 36.522 38.460 0.133 0.000 0.990 364 Y HN 0.213 nan 8.280 nan 0.000 0.537 365 F N 0.902 120.587 119.950 -0.441 0.000 2.494 365 F HA 0.095 4.622 4.527 -0.001 0.000 0.298 365 F C 1.083 176.828 175.800 -0.093 0.000 1.106 365 F CA -0.264 57.636 58.000 -0.167 0.000 1.452 365 F CB -0.851 37.943 39.000 -0.343 0.000 1.085 365 F HN -0.098 nan 8.300 nan 0.000 0.569 366 R N 1.823 122.170 120.500 -0.255 0.000 2.288 366 R HA 0.454 4.793 4.340 -0.001 0.000 0.330 366 R C -1.631 174.491 176.300 -0.296 0.000 1.069 366 R CA -0.214 55.745 56.100 -0.233 0.000 0.941 366 R CB 0.262 30.284 30.300 -0.464 0.000 0.998 366 R HN 0.121 nan 8.270 nan 0.000 0.452 367 V N 6.835 126.649 119.914 -0.166 0.000 2.483 367 V HA 0.374 4.493 4.120 -0.001 0.000 0.297 367 V C -0.472 175.569 176.094 -0.088 0.000 1.027 367 V CA -0.887 61.340 62.300 -0.122 0.000 0.855 367 V CB 1.137 33.056 31.823 0.160 0.000 0.995 367 V HN 0.545 nan 8.190 nan 0.000 0.424 368 F N 2.988 122.963 119.950 0.042 0.000 2.553 368 F HA 0.188 4.715 4.527 -0.000 0.000 0.356 368 F C 1.117 177.005 175.800 0.147 0.000 1.142 368 F CA 0.054 58.085 58.000 0.051 0.000 1.322 368 F CB 0.327 39.318 39.000 -0.014 0.000 1.126 368 F HN 0.459 nan 8.300 nan 0.000 0.599 369 N N 4.375 123.274 118.700 0.332 0.000 2.609 369 N HA 0.223 4.963 4.740 -0.001 0.000 0.234 369 N C -2.060 173.576 175.510 0.210 0.000 1.001 369 N CA -1.963 51.239 53.050 0.253 0.000 0.926 369 N CB 1.109 39.696 38.487 0.167 0.000 1.130 369 N HN 0.140 nan 8.380 nan 0.000 0.510 370 P HA -0.237 nan 4.420 nan 0.000 0.221 370 P C 1.351 178.732 177.300 0.136 0.000 1.153 370 P CA 0.971 64.169 63.100 0.164 0.000 0.858 370 P CB 0.564 32.373 31.700 0.181 0.000 0.783 371 V N -1.795 118.195 119.914 0.126 0.000 2.575 371 V HA -0.073 4.047 4.120 -0.001 0.000 0.242 371 V C 2.060 178.141 176.094 -0.021 0.000 1.045 371 V CA 0.968 63.330 62.300 0.104 0.000 1.065 371 V CB -0.815 31.081 31.823 0.122 0.000 0.717 371 V HN -0.055 nan 8.190 nan 0.000 0.467 372 L N -0.147 121.079 121.223 0.005 0.000 1.970 372 L HA -0.243 4.097 4.340 -0.001 0.000 0.212 372 L C 2.705 179.504 176.870 -0.119 0.000 1.071 372 L CA 2.328 57.143 54.840 -0.042 0.000 0.751 372 L CB -0.847 41.218 42.059 0.011 0.000 0.889 372 L HN 0.359 nan 8.230 nan 0.000 0.432 373 Q N 0.241 120.010 119.800 -0.052 0.000 2.118 373 Q HA -0.221 4.119 4.340 -0.001 0.000 0.211 373 Q C 2.092 177.972 176.000 -0.200 0.000 0.998 373 Q CA 2.231 58.011 55.803 -0.038 0.000 0.872 373 Q CB -0.752 27.987 28.738 0.002 0.000 0.925 373 Q HN 0.525 nan 8.270 nan 0.000 0.414 374 G N -0.699 107.850 108.800 -0.418 0.000 2.443 374 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.219 374 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.219 374 G C 0.976 175.269 174.900 -1.011 0.000 1.131 374 G CA 0.855 45.267 45.100 -1.147 0.000 0.775 374 G HN 0.453 nan 8.290 nan 0.000 0.547 375 E N -0.629 119.237 120.200 -0.558 0.000 2.276 375 E HA 0.087 4.437 4.350 -0.001 0.000 0.193 375 E C 2.362 178.818 176.600 -0.239 0.000 0.983 375 E CA -0.124 56.097 56.400 -0.299 0.000 0.861 375 E CB 0.161 29.765 29.700 -0.160 0.000 0.817 375 E HN 0.321 nan 8.360 nan 0.000 0.485 376 R N 0.310 120.618 120.500 -0.320 0.000 2.246 376 R HA -0.009 4.331 4.340 -0.001 0.000 0.199 376 R C 0.809 176.756 176.300 -0.589 0.000 0.984 376 R CA 0.761 56.602 56.100 -0.432 0.000 1.015 376 R CB 0.350 30.335 30.300 -0.524 0.000 0.930 376 R HN 0.146 nan 8.270 nan 0.000 0.475 377 H N -1.140 117.832 119.070 -0.162 0.000 2.567 377 H HA 0.241 4.796 4.556 -0.001 0.000 0.267 377 H C -1.075 174.164 175.328 -0.147 0.000 1.148 377 H CA -0.229 55.721 56.048 -0.162 0.000 1.031 377 H CB 0.737 30.374 29.762 -0.207 0.000 1.691 377 H HN 0.093 nan 8.280 nan 0.000 0.588 378 D N 0.239 120.616 120.400 -0.039 0.000 2.419 378 D HA 0.188 4.827 4.640 -0.001 0.000 0.219 378 D C -2.249 174.087 176.300 0.059 0.000 1.349 378 D CA -1.320 52.712 54.000 0.052 0.000 0.964 378 D CB 2.220 43.127 40.800 0.178 0.000 1.463 378 D HN -0.108 nan 8.370 nan 0.000 0.573 379 P HA -0.098 nan 4.420 nan 0.000 0.213 379 P C 0.218 177.571 177.300 0.089 0.000 1.090 379 P CA 0.892 64.028 63.100 0.060 0.000 0.875 379 P CB 0.280 32.016 31.700 0.060 0.000 0.553 380 E N -0.633 119.623 120.200 0.094 0.000 2.482 380 E HA 0.211 4.560 4.350 -0.001 0.000 0.200 380 E C 1.078 177.764 176.600 0.142 0.000 1.147 380 E CA 0.774 57.233 56.400 0.097 0.000 0.912 380 E CB -1.403 28.340 29.700 0.073 0.000 0.938 380 E HN 0.515 nan 8.360 nan 0.000 0.519 381 G N 1.175 110.103 108.800 0.213 0.000 2.225 381 G HA2 -0.434 3.526 3.960 -0.001 0.000 0.267 381 G HA3 -0.434 3.526 3.960 -0.001 0.000 0.267 381 G C 0.954 175.999 174.900 0.241 0.000 1.024 381 G CA 0.660 45.959 45.100 0.331 0.000 0.784 381 G HN 0.379 nan 8.290 nan 0.000 0.507 382 R N -1.884 118.742 120.500 0.209 0.000 2.105 382 R HA -0.116 4.223 4.340 -0.001 0.000 0.239 382 R C 2.229 178.653 176.300 0.206 0.000 1.135 382 R CA 1.850 58.044 56.100 0.158 0.000 0.967 382 R CB -0.218 30.166 30.300 0.140 0.000 0.861 382 R HN 0.608 nan 8.270 nan 0.000 0.442 383 W N 1.550 122.936 121.300 0.142 0.000 2.353 383 W HA -0.196 4.463 4.660 -0.001 0.000 0.319 383 W C 1.896 178.540 176.519 0.208 0.000 1.207 383 W CA 1.092 58.564 57.345 0.211 0.000 1.291 383 W CB -0.733 28.877 29.460 0.249 0.000 1.159 383 W HN 0.000 nan 8.180 nan 0.000 0.478 384 L N 1.949 123.250 121.223 0.129 0.000 2.129 384 L HA -0.201 4.139 4.340 -0.001 0.000 0.212 384 L C 2.352 179.107 176.870 -0.192 0.000 1.087 384 L CA 2.649 57.354 54.840 -0.225 0.000 0.757 384 L CB -1.215 40.618 42.059 -0.376 0.000 0.896 384 L HN 0.036 nan 8.230 nan 0.000 0.434 385 K N -0.549 119.797 120.400 -0.091 0.000 2.097 385 K HA -0.139 4.181 4.320 -0.001 0.000 0.205 385 K C 2.298 178.781 176.600 -0.196 0.000 1.050 385 K CA 1.369 57.594 56.287 -0.103 0.000 0.938 385 K CB -0.286 32.187 32.500 -0.044 0.000 0.718 385 K HN 0.185 nan 8.250 nan 0.000 0.442 386 R N -1.172 119.152 120.500 -0.293 0.000 2.153 386 R HA -0.034 4.306 4.340 -0.001 0.000 0.218 386 R C 1.317 177.126 176.300 -0.818 0.000 1.072 386 R CA 1.371 57.139 56.100 -0.553 0.000 0.990 386 R CB -0.098 29.816 30.300 -0.643 0.000 0.889 386 R HN 0.354 nan 8.270 nan 0.000 0.452 387 W N -1.198 119.901 121.300 -0.336 0.000 2.915 387 W HA 0.317 4.976 4.660 -0.001 0.000 0.276 387 W C 0.565 176.921 176.519 -0.273 0.000 1.215 387 W CA 0.034 57.169 57.345 -0.351 0.000 1.514 387 W CB 0.680 29.797 29.460 -0.572 0.000 1.017 387 W HN -0.078 nan 8.180 nan 0.000 0.598 388 A N -0.031 122.736 122.820 -0.087 0.000 3.410 388 A HA 0.379 4.699 4.320 -0.001 0.000 0.276 388 A C -2.065 175.513 177.584 -0.011 0.000 0.995 388 A CA -0.833 51.206 52.037 0.004 0.000 0.934 388 A CB -0.001 19.055 19.000 0.095 0.000 1.191 388 A HN -0.155 nan 8.150 nan 0.000 0.511 389 P HA -0.275 nan 4.420 nan 0.000 0.217 389 P C 1.478 178.730 177.300 -0.079 0.000 1.151 389 P CA 2.036 65.084 63.100 -0.086 0.000 0.849 389 P CB 0.206 31.842 31.700 -0.106 0.000 0.787 390 E N -1.110 119.018 120.200 -0.120 0.000 2.065 390 E HA -0.238 4.111 4.350 -0.001 0.000 0.201 390 E C 0.187 176.656 176.600 -0.218 0.000 1.016 390 E CA 0.956 57.229 56.400 -0.212 0.000 0.818 390 E CB -1.506 27.982 29.700 -0.352 0.000 0.749 390 E HN 0.250 nan 8.360 nan 0.000 0.453 391 Y N 2.125 122.363 120.300 -0.103 0.000 2.620 391 Y HA 0.020 4.569 4.550 -0.001 0.000 0.330 391 Y C -1.418 174.426 175.900 -0.093 0.000 1.186 391 Y CA -1.561 56.476 58.100 -0.104 0.000 1.467 391 Y CB 0.291 38.656 38.460 -0.158 0.000 1.262 391 Y HN 0.039 nan 8.280 nan 0.000 0.550 392 P HA -0.061 nan 4.420 nan 0.000 0.220 392 P C -0.299 177.035 177.300 0.057 0.000 1.152 392 P CA 1.285 64.413 63.100 0.047 0.000 0.812 392 P CB 0.435 32.161 31.700 0.043 0.000 0.792 393 S N -3.353 112.390 115.700 0.071 0.000 2.724 393 S HA 0.277 4.746 4.470 -0.001 0.000 0.278 393 S C -0.610 173.994 174.600 0.007 0.000 1.190 393 S CA -0.672 57.573 58.200 0.074 0.000 0.860 393 S CB -0.194 63.085 63.200 0.131 0.000 1.206 393 S HN -0.172 nan 8.310 nan 0.000 0.507 394 Y N 1.412 121.732 120.300 0.034 0.000 2.550 394 Y HA 0.523 5.072 4.550 -0.001 0.000 0.351 394 Y C 1.093 176.995 175.900 0.003 0.000 1.160 394 Y CA 0.299 58.393 58.100 -0.010 0.000 1.337 394 Y CB -0.831 37.636 38.460 0.012 0.000 1.196 394 Y HN 0.795 nan 8.280 nan 0.000 0.498 395 A N 0.806 123.698 122.820 0.120 0.000 2.269 395 A HA 0.458 4.778 4.320 -0.001 0.000 0.302 395 A C -2.434 175.216 177.584 0.110 0.000 1.266 395 A CA -1.847 50.259 52.037 0.116 0.000 0.894 395 A CB 0.071 19.138 19.000 0.112 0.000 1.147 395 A HN 0.072 nan 8.150 nan 0.000 0.537 396 P HA -0.005 nan 4.420 nan 0.000 0.252 396 P C -0.358 177.032 177.300 0.150 0.000 1.183 396 P CA 0.557 63.727 63.100 0.116 0.000 0.973 396 P CB 0.023 31.796 31.700 0.121 0.000 0.990 397 K N 4.155 124.689 120.400 0.223 0.000 2.229 397 K HA 0.070 4.390 4.320 -0.001 0.000 0.247 397 K C -0.601 176.090 176.600 0.152 0.000 1.117 397 K CA -0.269 56.125 56.287 0.179 0.000 1.036 397 K CB -0.466 32.138 32.500 0.174 0.000 1.654 397 K HN 0.411 nan 8.250 nan 0.000 0.405 398 D N 1.730 122.204 120.400 0.124 0.000 3.114 398 D HA -0.080 4.560 4.640 -0.001 0.000 0.253 398 D C -2.505 173.877 176.300 0.137 0.000 1.046 398 D CA 0.055 54.120 54.000 0.109 0.000 0.897 398 D CB -0.588 40.259 40.800 0.080 0.000 1.018 398 D HN 0.419 nan 8.370 nan 0.000 0.425 399 P HA 0.048 nan 4.420 nan 0.000 0.271 399 P C 1.505 178.910 177.300 0.176 0.000 1.218 399 P CA -0.536 62.676 63.100 0.187 0.000 0.780 399 P CB 0.789 32.607 31.700 0.197 0.000 0.901 400 V N 0.923 120.965 119.914 0.212 0.000 3.305 400 V HA 0.035 4.155 4.120 -0.001 0.000 0.269 400 V C 0.659 176.849 176.094 0.160 0.000 1.157 400 V CA 0.870 63.279 62.300 0.183 0.000 1.157 400 V CB -1.300 30.650 31.823 0.213 0.000 0.772 400 V HN 0.392 nan 8.190 nan 0.000 0.498 401 V N -3.533 116.482 119.914 0.167 0.000 3.242 401 V HA 0.635 4.755 4.120 -0.001 0.000 0.298 401 V C -1.383 174.781 176.094 0.117 0.000 1.352 401 V CA -0.794 61.579 62.300 0.122 0.000 1.052 401 V CB 1.822 33.702 31.823 0.096 0.000 1.101 401 V HN 0.197 nan 8.190 nan 0.000 0.446 402 D N 1.240 121.688 120.400 0.079 0.000 2.339 402 D HA 0.432 5.072 4.640 -0.001 0.000 0.241 402 D C 1.166 177.491 176.300 0.042 0.000 1.183 402 D CA -0.093 53.947 54.000 0.068 0.000 0.859 402 D CB 0.936 41.767 40.800 0.051 0.000 1.067 402 D HN 0.624 nan 8.370 nan 0.000 0.484 403 L N 3.437 124.696 121.223 0.061 0.000 1.963 403 L HA -0.257 4.083 4.340 -0.001 0.000 0.220 403 L C 2.409 179.239 176.870 -0.067 0.000 1.076 403 L CA 2.007 56.845 54.840 -0.002 0.000 0.772 403 L CB -0.835 41.279 42.059 0.090 0.000 0.892 403 L HN 0.643 nan 8.230 nan 0.000 0.435 404 E N 0.417 120.616 120.200 -0.002 0.000 2.097 404 E HA -0.320 4.030 4.350 -0.001 0.000 0.196 404 E C 1.939 178.539 176.600 0.000 0.000 1.000 404 E CA 1.676 58.078 56.400 0.004 0.000 0.804 404 E CB -0.296 29.420 29.700 0.027 0.000 0.740 404 E HN 0.492 nan 8.360 nan 0.000 0.454 405 E N 1.626 121.830 120.200 0.007 0.000 2.015 405 E HA -0.121 4.228 4.350 -0.001 0.000 0.191 405 E C 2.106 178.713 176.600 0.012 0.000 0.991 405 E CA 1.865 58.275 56.400 0.015 0.000 0.802 405 E CB -0.652 29.063 29.700 0.024 0.000 0.759 405 E HN 0.335 nan 8.360 nan 0.000 0.447 406 A N 1.163 123.976 122.820 -0.012 0.000 1.948 406 A HA -0.278 4.042 4.320 -0.001 0.000 0.220 406 A C 2.331 179.921 177.584 0.009 0.000 1.177 406 A CA 2.076 54.105 52.037 -0.013 0.000 0.636 406 A CB -0.736 18.216 19.000 -0.080 0.000 0.815 406 A HN 0.314 nan 8.150 nan 0.000 0.449 407 R N -0.517 119.944 120.500 -0.064 0.000 2.075 407 R HA -0.131 4.208 4.340 -0.001 0.000 0.230 407 R C 2.422 178.804 176.300 0.138 0.000 1.140 407 R CA 1.695 57.816 56.100 0.034 0.000 0.928 407 R CB -0.330 29.966 30.300 -0.007 0.000 0.834 407 R HN 0.519 nan 8.270 nan 0.000 0.429 408 R N 0.061 120.608 120.500 0.079 0.000 2.139 408 R HA -0.168 4.172 4.340 -0.001 0.000 0.243 408 R C 2.533 178.873 176.300 0.067 0.000 1.145 408 R CA 1.555 57.696 56.100 0.069 0.000 0.976 408 R CB -0.450 29.874 30.300 0.040 0.000 0.866 408 R HN 0.297 nan 8.270 nan 0.000 0.449 409 R N 0.291 120.840 120.500 0.082 0.000 2.073 409 R HA -0.204 4.136 4.340 -0.001 0.000 0.234 409 R C 2.086 178.463 176.300 0.129 0.000 1.134 409 R CA 1.720 57.869 56.100 0.081 0.000 0.952 409 R CB -0.394 29.959 30.300 0.089 0.000 0.850 409 R HN 0.265 nan 8.270 nan 0.000 0.433 410 Y N 1.518 121.882 120.300 0.106 0.000 2.109 410 Y HA -0.168 4.382 4.550 -0.000 0.000 0.285 410 Y C 2.149 178.142 175.900 0.155 0.000 1.131 410 Y CA 1.686 59.900 58.100 0.190 0.000 1.121 410 Y CB -0.720 37.870 38.460 0.217 0.000 0.987 410 Y HN 0.009 nan 8.280 nan 0.000 0.495 411 L N 0.375 121.561 121.223 -0.062 0.000 2.051 411 L HA -0.336 4.004 4.340 -0.001 0.000 0.214 411 L C 2.829 179.594 176.870 -0.176 0.000 1.076 411 L CA 2.045 56.813 54.840 -0.121 0.000 0.758 411 L CB -0.718 41.398 42.059 0.094 0.000 0.890 411 L HN 0.250 nan 8.230 nan 0.000 0.433 412 R N 0.698 121.134 120.500 -0.106 0.000 2.088 412 R HA -0.196 4.143 4.340 -0.001 0.000 0.232 412 R C 2.402 178.574 176.300 -0.215 0.000 1.136 412 R CA 1.811 57.839 56.100 -0.121 0.000 0.926 412 R CB -0.434 29.820 30.300 -0.077 0.000 0.837 412 R HN 0.268 nan 8.270 nan 0.000 0.429 413 L N 0.610 121.691 121.223 -0.237 0.000 2.043 413 L HA -0.210 4.129 4.340 -0.001 0.000 0.212 413 L C 2.835 179.437 176.870 -0.446 0.000 1.075 413 L CA 1.511 56.127 54.840 -0.373 0.000 0.752 413 L CB -0.693 41.106 42.059 -0.432 0.000 0.891 413 L HN 0.411 nan 8.230 nan 0.000 0.432 414 A N 0.113 122.660 122.820 -0.456 0.000 1.948 414 A HA -0.213 4.107 4.320 -0.001 0.000 0.220 414 A C 2.016 179.160 177.584 -0.734 0.000 1.177 414 A CA 1.340 52.990 52.037 -0.644 0.000 0.636 414 A CB -0.583 17.771 19.000 -1.076 0.000 0.815 414 A HN 0.364 nan 8.150 nan 0.000 0.449 415 R N 0.646 120.826 120.500 -0.534 0.000 3.457 415 R HA 0.084 4.423 4.340 -0.001 0.000 0.218 415 R C -0.887 175.256 176.300 -0.262 0.000 1.833 415 R CA 0.400 56.303 56.100 -0.328 0.000 1.554 415 R CB -0.453 29.756 30.300 -0.152 0.000 1.143 415 R HN 0.542 nan 8.270 nan 0.000 0.557 416 D N 0.000 120.194 120.400 -0.344 0.000 6.856 416 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 416 D CA 0.000 53.828 54.000 -0.287 0.000 0.868 416 D CB 0.000 40.629 40.800 -0.284 0.000 0.688 416 D HN 0.000 nan 8.370 nan 0.000 0.683