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 2nmr_1_A DATA FIRST_RESID 2 DATA SEQUENCE PAVADKADNA FMMICTALVL FMTIPGIALF YGGLIRGKNV LSMLTQVTVT DATA SEQUENCE FALVCILWVV YGYSLAFGEG NNFFGNINWL MLKNIELTAV MGSIYQYIHV DATA SEQUENCE AFQGSFACIT VGLIVGALAE RIRFSAVLIF VVVWLTLSYI PIAHMVWGGG DATA SEQUENCE LLASHGALDF AGGTVVHINA AIAGLVGAYL XXXXXXXXXX XXXPHNLPMV DATA SEQUENCE FTGTAILYIG WFGFNAGSAG TANEIAALAF VNTVVATAAA ILGWIFGEWA DATA SEQUENCE LRGKPSLLGA CSGAIAGLVG VTPACGYIGV GGALIIGVVA GLAGLWGVTM DATA SEQUENCE XXXXXXXXXP CDVFGVHGVC GIVGCIMTGI FAASSLGGVG FAEGVTMGHQ DATA SEQUENCE LLVQLESIAI TIVWSGVVAF IGYKLADLTV GLRVP 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 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.297 177.300 -0.004 0.000 1.155 2 P CA 0.000 63.102 63.100 0.004 0.000 0.800 2 P CB 0.000 31.707 31.700 0.011 0.000 0.726 3 A N 1.095 123.910 122.820 -0.010 0.000 2.600 3 A HA 0.330 4.650 4.320 0.001 0.000 0.244 3 A C 0.342 177.900 177.584 -0.043 0.000 1.016 3 A CA 0.615 52.635 52.037 -0.028 0.000 0.778 3 A CB -0.016 18.965 19.000 -0.032 0.000 0.920 3 A HN 0.734 nan 8.150 nan 0.000 0.513 4 V N 3.308 123.183 119.914 -0.064 0.000 2.555 4 V HA 0.685 4.806 4.120 0.001 0.000 0.302 4 V C 0.586 176.581 176.094 -0.166 0.000 1.038 4 V CA -0.147 62.100 62.300 -0.089 0.000 0.887 4 V CB 1.450 33.240 31.823 -0.055 0.000 0.991 4 V HN 1.598 nan 8.190 nan 0.000 0.434 5 A N 4.785 127.424 122.820 -0.302 0.000 2.425 5 A HA 0.376 4.697 4.320 0.001 0.000 0.249 5 A C 0.027 177.449 177.584 -0.269 0.000 1.084 5 A CA -0.090 51.674 52.037 -0.455 0.000 0.781 5 A CB 0.199 18.508 19.000 -1.152 0.000 1.019 5 A HN 0.917 nan 8.150 nan 0.000 0.490 6 D N 1.809 122.089 120.400 -0.200 0.000 2.280 6 D HA 0.212 4.852 4.640 0.001 0.000 0.236 6 D C 0.699 176.945 176.300 -0.089 0.000 1.082 6 D CA -0.338 53.594 54.000 -0.114 0.000 0.834 6 D CB 1.045 41.793 40.800 -0.087 0.000 1.100 6 D HN 0.516 nan 8.370 nan 0.000 0.486 7 K N 2.267 122.638 120.400 -0.048 0.000 2.152 7 K HA -0.146 4.174 4.320 0.001 0.000 0.206 7 K C 1.816 178.422 176.600 0.010 0.000 1.048 7 K CA 1.393 57.678 56.287 -0.003 0.000 0.933 7 K CB 0.110 32.621 32.500 0.018 0.000 0.721 7 K HN 0.469 nan 8.250 nan 0.000 0.447 8 A N 1.619 124.436 122.820 -0.005 0.000 1.898 8 A HA -0.193 4.128 4.320 0.001 0.000 0.216 8 A C 1.540 179.144 177.584 0.034 0.000 1.181 8 A CA 1.833 53.871 52.037 0.002 0.000 0.620 8 A CB -0.298 18.682 19.000 -0.033 0.000 0.819 8 A HN 0.162 nan 8.150 nan 0.000 0.442 9 D N -0.006 120.400 120.400 0.010 0.000 2.149 9 D HA -0.096 4.544 4.640 0.001 0.000 0.201 9 D C 1.623 177.960 176.300 0.061 0.000 0.972 9 D CA 0.901 54.927 54.000 0.044 0.000 0.835 9 D CB -0.395 40.394 40.800 -0.019 0.000 0.966 9 D HN 0.315 nan 8.370 nan 0.000 0.476 10 N N 1.164 119.877 118.700 0.020 0.000 2.043 10 N HA -0.140 4.600 4.740 0.001 0.000 0.193 10 N C 1.795 177.346 175.510 0.068 0.000 1.037 10 N CA 1.478 54.553 53.050 0.043 0.000 0.851 10 N CB -0.491 38.039 38.487 0.073 0.000 1.027 10 N HN 0.125 nan 8.380 nan 0.000 0.422 11 A N 0.726 123.595 122.820 0.082 0.000 1.865 11 A HA -0.166 4.155 4.320 0.001 0.000 0.217 11 A C 2.185 179.844 177.584 0.126 0.000 1.191 11 A CA 1.285 53.376 52.037 0.090 0.000 0.623 11 A CB -1.110 17.941 19.000 0.086 0.000 0.826 11 A HN 0.293 nan 8.150 nan 0.000 0.444 12 F N 0.123 120.066 119.950 -0.011 0.000 2.095 12 F HA -0.195 4.333 4.527 0.001 0.000 0.298 12 F C 2.251 178.039 175.800 -0.020 0.000 1.104 12 F CA 1.999 59.995 58.000 -0.008 0.000 1.232 12 F CB -0.216 38.771 39.000 -0.022 0.000 0.987 12 F HN 0.101 nan 8.300 nan 0.000 0.475 13 M N -0.628 118.920 119.600 -0.088 0.000 2.254 13 M HA -0.171 4.310 4.480 0.001 0.000 0.265 13 M C 2.248 178.470 176.300 -0.130 0.000 1.066 13 M CA 1.388 56.533 55.300 -0.259 0.000 1.123 13 M CB -1.175 31.295 32.600 -0.216 0.000 1.388 13 M HN 0.291 nan 8.290 nan 0.000 0.425 14 M N -0.400 119.179 119.600 -0.035 0.000 2.156 14 M HA -0.155 4.325 4.480 0.001 0.000 0.264 14 M C 1.941 178.243 176.300 0.003 0.000 1.067 14 M CA 1.099 56.407 55.300 0.013 0.000 1.131 14 M CB -0.247 32.373 32.600 0.034 0.000 1.368 14 M HN 0.110 nan 8.290 nan 0.000 0.416 15 I N -0.120 120.436 120.570 -0.024 0.000 2.226 15 I HA -0.261 3.909 4.170 0.001 0.000 0.245 15 I C 2.517 178.612 176.117 -0.037 0.000 1.100 15 I CA 1.233 62.521 61.300 -0.021 0.000 1.374 15 I CB -1.618 36.382 38.000 -0.000 0.000 1.057 15 I HN 0.391 nan 8.210 nan 0.000 0.413 16 C N 0.652 119.864 119.300 -0.146 0.000 2.425 16 C HA -0.154 4.306 4.460 0.001 0.000 0.277 16 C C 2.986 178.078 174.990 0.170 0.000 1.280 16 C CA 1.435 60.411 59.018 -0.071 0.000 1.744 16 C CB -1.159 26.396 27.740 -0.309 0.000 1.989 16 C HN 0.531 nan 8.230 nan 0.000 0.491 17 T N 1.011 115.682 114.554 0.196 0.000 2.777 17 T HA -0.098 4.252 4.350 0.001 0.000 0.266 17 T C 2.134 176.902 174.700 0.112 0.000 1.040 17 T CA 1.561 63.797 62.100 0.227 0.000 1.141 17 T CB -0.390 68.594 68.868 0.194 0.000 0.868 17 T HN 0.640 nan 8.240 nan 0.000 0.444 18 A N 1.273 124.138 122.820 0.074 0.000 1.902 18 A HA 0.006 4.326 4.320 0.001 0.000 0.217 18 A C 2.299 179.926 177.584 0.071 0.000 1.181 18 A CA 1.190 53.255 52.037 0.047 0.000 0.623 18 A CB -0.879 18.121 19.000 -0.001 0.000 0.818 18 A HN 0.469 nan 8.150 nan 0.000 0.443 19 L N -0.550 120.729 121.223 0.093 0.000 2.046 19 L HA -0.171 4.170 4.340 0.001 0.000 0.208 19 L C 2.506 179.471 176.870 0.159 0.000 1.077 19 L CA 1.119 56.059 54.840 0.168 0.000 0.747 19 L CB -0.484 41.675 42.059 0.167 0.000 0.896 19 L HN 0.263 nan 8.230 nan 0.000 0.432 20 V N -0.128 119.840 119.914 0.089 0.000 2.427 20 V HA -0.258 3.862 4.120 0.001 0.000 0.248 20 V C 2.357 178.440 176.094 -0.017 0.000 1.051 20 V CA 1.409 63.696 62.300 -0.021 0.000 1.048 20 V CB -0.352 31.398 31.823 -0.121 0.000 0.666 20 V HN 0.344 nan 8.190 nan 0.000 0.456 21 L N -1.168 120.088 121.223 0.055 0.000 2.083 21 L HA -0.185 4.156 4.340 0.001 0.000 0.209 21 L C 2.420 179.335 176.870 0.074 0.000 1.083 21 L CA 1.564 56.459 54.840 0.092 0.000 0.752 21 L CB -0.640 41.503 42.059 0.140 0.000 0.899 21 L HN 0.328 nan 8.230 nan 0.000 0.433 22 F N 0.747 120.653 119.950 -0.073 0.000 2.202 22 F HA -0.230 4.298 4.527 0.001 0.000 0.301 22 F C 2.385 178.118 175.800 -0.112 0.000 1.082 22 F CA 1.317 59.267 58.000 -0.083 0.000 1.313 22 F CB -0.355 38.621 39.000 -0.040 0.000 1.024 22 F HN 0.009 nan 8.300 nan 0.000 0.495 23 M N -1.003 118.536 119.600 -0.101 0.000 2.149 23 M HA -0.216 4.265 4.480 0.001 0.000 0.261 23 M C 1.871 178.026 176.300 -0.243 0.000 1.064 23 M CA 2.209 57.354 55.300 -0.258 0.000 1.102 23 M CB -0.705 31.696 32.600 -0.331 0.000 1.369 23 M HN 0.026 nan 8.290 nan 0.000 0.408 24 T N 0.136 114.576 114.554 -0.191 0.000 2.866 24 T HA 0.149 4.500 4.350 0.001 0.000 0.250 24 T C 0.851 175.405 174.700 -0.244 0.000 1.033 24 T CA 0.622 62.608 62.100 -0.189 0.000 1.145 24 T CB 0.304 69.085 68.868 -0.145 0.000 0.866 24 T HN 0.052 nan 8.240 nan 0.000 0.434 25 I N 3.387 123.776 120.570 -0.302 0.000 2.388 25 I HA 0.276 4.447 4.170 0.001 0.000 0.281 25 I C -2.122 173.961 176.117 -0.056 0.000 1.046 25 I CA -2.549 58.585 61.300 -0.277 0.000 1.187 25 I CB 1.056 38.732 38.000 -0.541 0.000 1.351 25 I HN 0.084 nan 8.210 nan 0.000 0.472 26 P HA 0.178 nan 4.420 nan 0.000 0.282 26 P C 1.271 178.475 177.300 -0.159 0.000 1.373 26 P CA 0.130 63.164 63.100 -0.110 0.000 1.001 26 P CB 1.057 32.730 31.700 -0.045 0.000 1.489 27 G N 2.160 110.796 108.800 -0.272 0.000 2.764 27 G HA2 -0.334 3.627 3.960 0.001 0.000 0.219 27 G HA3 -0.334 3.627 3.960 0.001 0.000 0.219 27 G C 1.316 176.132 174.900 -0.141 0.000 1.259 27 G CA 1.264 46.201 45.100 -0.272 0.000 0.793 27 G HN 0.282 nan 8.290 nan 0.000 0.633 28 I N 1.774 122.267 120.570 -0.129 0.000 2.361 28 I HA 0.012 4.183 4.170 0.001 0.000 0.251 28 I C 3.026 179.207 176.117 0.106 0.000 1.133 28 I CA 1.387 62.656 61.300 -0.051 0.000 1.413 28 I CB -0.421 37.554 38.000 -0.041 0.000 1.073 28 I HN 0.245 nan 8.210 nan 0.000 0.424 29 A N 0.100 122.956 122.820 0.060 0.000 1.902 29 A HA -0.153 4.167 4.320 0.001 0.000 0.217 29 A C 2.296 179.937 177.584 0.094 0.000 1.181 29 A CA 1.749 53.841 52.037 0.091 0.000 0.623 29 A CB -0.912 18.096 19.000 0.015 0.000 0.818 29 A HN 0.470 nan 8.150 nan 0.000 0.443 30 L N -2.259 118.988 121.223 0.040 0.000 2.109 30 L HA -0.107 4.233 4.340 0.001 0.000 0.207 30 L C 2.468 179.357 176.870 0.030 0.000 1.086 30 L CA 1.338 56.192 54.840 0.023 0.000 0.760 30 L CB -0.539 41.509 42.059 -0.019 0.000 0.910 30 L HN 0.507 nan 8.230 nan 0.000 0.437 31 F N 0.252 120.128 119.950 -0.123 0.000 2.046 31 F HA -0.308 4.219 4.527 0.000 0.000 0.297 31 F C 2.398 178.108 175.800 -0.151 0.000 1.123 31 F CA 1.767 59.651 58.000 -0.192 0.000 1.199 31 F CB -0.420 38.390 39.000 -0.317 0.000 0.972 31 F HN -0.074 nan 8.300 nan 0.000 0.474 32 Y N 0.519 120.900 120.300 0.134 0.000 2.293 32 Y HA 0.004 4.555 4.550 0.001 0.000 0.291 32 Y C 2.690 178.577 175.900 -0.021 0.000 1.137 32 Y CA 1.009 59.127 58.100 0.030 0.000 1.202 32 Y CB -1.364 37.152 38.460 0.094 0.000 0.990 32 Y HN 0.161 nan 8.280 nan 0.000 0.537 33 G N -0.547 108.341 108.800 0.147 0.000 2.442 33 G HA2 -0.235 3.725 3.960 0.001 0.000 0.219 33 G HA3 -0.235 3.725 3.960 0.001 0.000 0.219 33 G C 1.987 176.935 174.900 0.080 0.000 1.141 33 G CA 1.029 46.197 45.100 0.113 0.000 0.763 33 G HN 0.518 nan 8.290 nan 0.000 0.554 34 G N -0.166 108.577 108.800 -0.094 0.000 2.712 34 G HA2 0.170 4.130 3.960 0.001 0.000 0.212 34 G HA3 0.170 4.130 3.960 0.001 0.000 0.212 34 G C 1.640 176.376 174.900 -0.273 0.000 1.142 34 G CA 0.128 45.042 45.100 -0.310 0.000 0.789 34 G HN 0.418 nan 8.290 nan 0.000 0.535 35 L N 0.529 121.671 121.223 -0.135 0.000 2.130 35 L HA 0.309 4.649 4.340 0.001 0.000 0.200 35 L C 1.718 178.630 176.870 0.070 0.000 1.075 35 L CA 0.022 54.816 54.840 -0.077 0.000 0.768 35 L CB -0.327 41.657 42.059 -0.126 0.000 0.933 35 L HN 0.274 nan 8.230 nan 0.000 0.451 36 I N -0.666 119.978 120.570 0.123 0.000 3.060 36 I HA 0.114 4.284 4.170 0.001 0.000 0.285 36 I C 0.776 176.963 176.117 0.115 0.000 1.190 36 I CA -0.765 60.597 61.300 0.104 0.000 1.363 36 I CB 0.364 38.404 38.000 0.066 0.000 1.396 36 I HN 0.088 nan 8.210 nan 0.000 0.607 37 R N 3.337 123.847 120.500 0.016 0.000 2.585 37 R HA 0.146 4.487 4.340 0.001 0.000 0.275 37 R C 1.144 177.308 176.300 -0.227 0.000 1.018 37 R CA 1.017 57.073 56.100 -0.073 0.000 1.072 37 R CB 0.646 30.911 30.300 -0.058 0.000 0.953 37 R HN 0.891 nan 8.270 nan 0.000 0.419 38 G N 4.279 112.782 108.800 -0.495 0.000 2.505 38 G HA2 -0.410 3.550 3.960 0.001 0.000 0.220 38 G HA3 -0.410 3.550 3.960 0.001 0.000 0.220 38 G C 0.970 175.717 174.900 -0.256 0.000 1.145 38 G CA 1.250 45.981 45.100 -0.615 0.000 0.761 38 G HN 0.857 nan 8.290 nan 0.000 0.571 39 K N -0.090 120.212 120.400 -0.164 0.000 2.362 39 K HA 0.013 4.333 4.320 0.001 0.000 0.200 39 K C 1.307 177.867 176.600 -0.066 0.000 1.046 39 K CA 1.274 57.507 56.287 -0.091 0.000 0.952 39 K CB -0.062 32.397 32.500 -0.068 0.000 0.753 39 K HN 0.178 nan 8.250 nan 0.000 0.466 40 N N 0.600 119.256 118.700 -0.073 0.000 2.205 40 N HA 0.032 4.772 4.740 0.001 0.000 0.201 40 N C 1.387 176.878 175.510 -0.031 0.000 1.128 40 N CA 0.132 53.154 53.050 -0.046 0.000 0.867 40 N CB 0.651 39.111 38.487 -0.046 0.000 0.996 40 N HN -0.021 nan 8.380 nan 0.000 0.503 41 V N 1.543 121.437 119.914 -0.032 0.000 2.261 41 V HA -0.192 3.929 4.120 0.001 0.000 0.246 41 V C 2.377 178.480 176.094 0.015 0.000 1.047 41 V CA 1.382 63.689 62.300 0.012 0.000 1.015 41 V CB -0.490 31.356 31.823 0.039 0.000 0.642 41 V HN 0.238 nan 8.190 nan 0.000 0.446 42 L N 0.260 121.489 121.223 0.010 0.000 2.012 42 L HA -0.207 4.133 4.340 0.001 0.000 0.210 42 L C 2.755 179.640 176.870 0.025 0.000 1.073 42 L CA 2.070 56.923 54.840 0.022 0.000 0.748 42 L CB -0.831 41.242 42.059 0.023 0.000 0.891 42 L HN 0.480 nan 8.230 nan 0.000 0.431 43 S N -0.231 115.478 115.700 0.015 0.000 2.368 43 S HA -0.239 4.231 4.470 0.001 0.000 0.225 43 S C 2.084 176.656 174.600 -0.046 0.000 1.030 43 S CA 1.313 59.520 58.200 0.011 0.000 0.999 43 S CB -0.198 63.007 63.200 0.009 0.000 0.844 43 S HN 0.347 nan 8.310 nan 0.000 0.459 44 M N 1.027 120.598 119.600 -0.048 0.000 2.132 44 M HA -0.002 4.478 4.480 0.001 0.000 0.263 44 M C 1.934 178.204 176.300 -0.049 0.000 1.065 44 M CA 1.538 56.793 55.300 -0.074 0.000 1.122 44 M CB -0.993 31.578 32.600 -0.048 0.000 1.365 44 M HN 0.442 nan 8.290 nan 0.000 0.411 45 L N -0.429 120.791 121.223 -0.005 0.000 2.083 45 L HA -0.201 4.139 4.340 0.001 0.000 0.209 45 L C 2.285 179.165 176.870 0.016 0.000 1.083 45 L CA 1.584 56.431 54.840 0.012 0.000 0.752 45 L CB -1.169 40.907 42.059 0.028 0.000 0.899 45 L HN 0.310 nan 8.230 nan 0.000 0.433 46 T N -0.935 113.637 114.554 0.029 0.000 2.701 46 T HA -0.205 4.145 4.350 0.001 0.000 0.263 46 T C 1.904 176.625 174.700 0.035 0.000 1.040 46 T CA 1.216 63.372 62.100 0.093 0.000 1.147 46 T CB -0.188 68.790 68.868 0.184 0.000 0.865 46 T HN 0.373 nan 8.240 nan 0.000 0.426 47 Q N 0.335 120.016 119.800 -0.198 0.000 2.096 47 Q HA -0.088 4.253 4.340 0.001 0.000 0.204 47 Q C 2.602 178.515 176.000 -0.144 0.000 0.982 47 Q CA 1.235 56.780 55.803 -0.430 0.000 0.850 47 Q CB -0.508 27.901 28.738 -0.549 0.000 0.901 47 Q HN 0.357 nan 8.270 nan 0.000 0.422 48 V N 0.618 120.491 119.914 -0.069 0.000 2.358 48 V HA -0.233 3.888 4.120 0.001 0.000 0.246 48 V C 2.201 178.338 176.094 0.073 0.000 1.047 48 V CA 2.110 64.411 62.300 0.002 0.000 1.035 48 V CB -0.765 31.059 31.823 0.002 0.000 0.658 48 V HN 0.423 nan 8.190 nan 0.000 0.452 49 T N -0.044 114.552 114.554 0.070 0.000 2.737 49 T HA -0.143 4.208 4.350 0.001 0.000 0.265 49 T C 1.960 176.794 174.700 0.223 0.000 1.038 49 T CA 1.656 63.830 62.100 0.123 0.000 1.144 49 T CB -0.206 68.716 68.868 0.090 0.000 0.866 49 T HN 0.275 nan 8.240 nan 0.000 0.434 50 V N 2.338 122.377 119.914 0.209 0.000 2.358 50 V HA -0.173 3.948 4.120 0.001 0.000 0.246 50 V C 3.015 179.237 176.094 0.213 0.000 1.047 50 V CA 2.146 64.594 62.300 0.248 0.000 1.035 50 V CB -1.331 30.737 31.823 0.408 0.000 0.658 50 V HN 0.736 nan 8.190 nan 0.000 0.452 51 T N -1.800 112.859 114.554 0.175 0.000 2.951 51 T HA -0.188 4.162 4.350 0.001 0.000 0.268 51 T C 1.779 176.562 174.700 0.139 0.000 1.073 51 T CA 1.429 63.612 62.100 0.138 0.000 1.134 51 T CB -0.554 68.371 68.868 0.094 0.000 0.884 51 T HN 0.410 nan 8.240 nan 0.000 0.479 52 F N 2.833 122.798 119.950 0.025 0.000 2.102 52 F HA 0.186 4.714 4.527 0.001 0.000 0.298 52 F C 2.567 178.377 175.800 0.016 0.000 1.105 52 F CA 0.864 58.867 58.000 0.004 0.000 1.239 52 F CB -0.887 38.113 39.000 0.001 0.000 0.991 52 F HN 0.247 nan 8.300 nan 0.000 0.474 53 A N 0.786 123.636 122.820 0.051 0.000 1.883 53 A HA -0.193 4.127 4.320 0.001 0.000 0.217 53 A C 2.155 179.685 177.584 -0.089 0.000 1.186 53 A CA 1.824 53.825 52.037 -0.060 0.000 0.624 53 A CB -1.442 17.614 19.000 0.095 0.000 0.822 53 A HN 0.540 nan 8.150 nan 0.000 0.444 54 L N 0.052 121.272 121.223 -0.003 0.000 2.043 54 L HA -0.157 4.183 4.340 0.001 0.000 0.212 54 L C 2.385 179.232 176.870 -0.038 0.000 1.075 54 L CA 2.147 56.991 54.840 0.008 0.000 0.752 54 L CB -0.570 41.528 42.059 0.065 0.000 0.891 54 L HN 0.165 nan 8.230 nan 0.000 0.432 55 V N -1.202 118.665 119.914 -0.078 0.000 2.295 55 V HA -0.354 3.766 4.120 0.001 0.000 0.246 55 V C 2.650 178.671 176.094 -0.121 0.000 1.049 55 V CA 1.875 64.119 62.300 -0.094 0.000 1.024 55 V CB -0.844 30.899 31.823 -0.133 0.000 0.648 55 V HN 0.663 nan 8.190 nan 0.000 0.447 56 C N -0.122 119.017 119.300 -0.269 0.000 2.401 56 C HA -0.173 4.287 4.460 0.001 0.000 0.276 56 C C 2.594 177.545 174.990 -0.064 0.000 1.233 56 C CA 0.697 59.579 59.018 -0.227 0.000 1.753 56 C CB -1.021 26.494 27.740 -0.376 0.000 2.029 56 C HN 0.475 nan 8.230 nan 0.000 0.478 57 I N 0.647 121.174 120.570 -0.072 0.000 2.233 57 I HA -0.109 4.061 4.170 0.001 0.000 0.243 57 I C 2.395 178.471 176.117 -0.068 0.000 1.093 57 I CA 1.629 62.904 61.300 -0.042 0.000 1.380 57 I CB -1.468 36.518 38.000 -0.024 0.000 1.067 57 I HN 0.344 nan 8.210 nan 0.000 0.413 58 L N -0.770 120.395 121.223 -0.097 0.000 2.127 58 L HA -0.245 4.095 4.340 0.001 0.000 0.211 58 L C 2.615 179.245 176.870 -0.399 0.000 1.089 58 L CA 1.344 56.003 54.840 -0.301 0.000 0.757 58 L CB -0.583 41.345 42.059 -0.218 0.000 0.899 58 L HN 0.444 nan 8.230 nan 0.000 0.434 59 W N 0.428 121.553 121.300 -0.291 0.000 2.354 59 W HA -0.202 4.458 4.660 0.000 0.000 0.315 59 W C 2.209 178.661 176.519 -0.113 0.000 1.206 59 W CA 1.747 58.989 57.345 -0.173 0.000 1.290 59 W CB -0.004 29.395 29.460 -0.102 0.000 1.152 59 W HN -0.067 nan 8.180 nan 0.000 0.489 60 V N 0.425 120.317 119.914 -0.035 0.000 2.379 60 V HA -0.280 3.840 4.120 0.001 0.000 0.245 60 V C 2.175 178.206 176.094 -0.106 0.000 1.044 60 V CA 1.524 63.766 62.300 -0.095 0.000 1.036 60 V CB -0.927 30.869 31.823 -0.044 0.000 0.664 60 V HN 0.015 nan 8.190 nan 0.000 0.453 61 V N 0.187 120.034 119.914 -0.113 0.000 2.261 61 V HA -0.238 3.882 4.120 0.001 0.000 0.246 61 V C 1.908 178.024 176.094 0.036 0.000 1.047 61 V CA 2.905 65.187 62.300 -0.030 0.000 1.015 61 V CB -0.580 31.258 31.823 0.024 0.000 0.642 61 V HN 0.892 nan 8.190 nan 0.000 0.446 62 Y N -2.501 117.778 120.300 -0.035 0.000 2.673 62 Y HA 0.538 5.088 4.550 0.001 0.000 0.289 62 Y C 1.783 177.604 175.900 -0.132 0.000 0.975 62 Y CA 0.235 58.302 58.100 -0.055 0.000 1.163 62 Y CB -0.624 37.809 38.460 -0.045 0.000 1.425 62 Y HN -0.028 nan 8.280 nan 0.000 0.588 63 G N 1.372 109.843 108.800 -0.548 0.000 2.480 63 G HA2 -0.367 3.593 3.960 0.001 0.000 0.216 63 G HA3 -0.367 3.593 3.960 0.001 0.000 0.216 63 G C 1.435 175.805 174.900 -0.883 0.000 1.200 63 G CA 1.626 46.417 45.100 -0.516 0.000 0.782 63 G HN 0.512 nan 8.290 nan 0.000 0.554 64 Y N 1.557 120.992 120.300 -1.442 0.000 2.128 64 Y HA -0.160 4.391 4.550 0.001 0.000 0.284 64 Y C 3.163 178.977 175.900 -0.142 0.000 1.154 64 Y CA 1.940 59.410 58.100 -1.049 0.000 1.149 64 Y CB -0.548 37.467 38.460 -0.741 0.000 0.976 64 Y HN 0.245 nan 8.280 nan 0.000 0.505 65 S N -0.157 115.545 115.700 0.003 0.000 2.370 65 S HA -0.188 4.283 4.470 0.001 0.000 0.226 65 S C 2.046 176.597 174.600 -0.081 0.000 1.033 65 S CA 1.669 59.942 58.200 0.122 0.000 1.011 65 S CB -0.600 62.712 63.200 0.188 0.000 0.852 65 S HN 0.555 nan 8.310 nan 0.000 0.457 66 L N 0.357 121.529 121.223 -0.085 0.000 2.217 66 L HA 0.043 4.383 4.340 0.001 0.000 0.211 66 L C 2.640 179.410 176.870 -0.167 0.000 1.107 66 L CA 0.968 55.753 54.840 -0.092 0.000 0.783 66 L CB -0.460 41.589 42.059 -0.016 0.000 0.919 66 L HN 0.436 nan 8.230 nan 0.000 0.442 67 A N -0.892 121.805 122.820 -0.205 0.000 1.911 67 A HA -0.010 4.310 4.320 0.001 0.000 0.212 67 A C 1.533 178.833 177.584 -0.474 0.000 1.189 67 A CA 0.837 52.696 52.037 -0.298 0.000 0.639 67 A CB -0.216 18.669 19.000 -0.193 0.000 0.839 67 A HN 0.341 nan 8.150 nan 0.000 0.449 68 F N -0.123 119.756 119.950 -0.118 0.000 2.682 68 F HA 0.331 4.859 4.527 0.001 0.000 0.308 68 F C 1.513 177.327 175.800 0.023 0.000 1.093 68 F CA -0.302 57.680 58.000 -0.031 0.000 1.244 68 F CB 0.128 39.026 39.000 -0.169 0.000 1.052 68 F HN 0.214 nan 8.300 nan 0.000 0.573 69 G N 0.396 109.153 108.800 -0.072 0.000 2.572 69 G HA2 0.208 4.169 3.960 0.001 0.000 0.261 69 G HA3 0.208 4.169 3.960 0.001 0.000 0.261 69 G C -0.698 174.085 174.900 -0.197 0.000 1.197 69 G CA -0.384 44.445 45.100 -0.452 0.000 0.870 69 G HN 0.210 nan 8.290 nan 0.000 0.548 70 E N -0.328 119.722 120.200 -0.250 0.000 2.259 70 E HA 0.497 4.848 4.350 0.001 0.000 0.281 70 E C 0.697 177.222 176.600 -0.125 0.000 1.037 70 E CA 0.255 56.597 56.400 -0.097 0.000 0.854 70 E CB 0.579 30.224 29.700 -0.092 0.000 1.051 70 E HN 0.522 nan 8.360 nan 0.000 0.409 71 G N 3.857 112.608 108.800 -0.081 0.000 3.495 71 G HA2 0.133 4.093 3.960 0.001 0.000 0.178 71 G HA3 0.133 4.093 3.960 0.001 0.000 0.178 71 G C -0.589 174.213 174.900 -0.163 0.000 1.262 71 G CA -0.055 44.940 45.100 -0.174 0.000 1.096 71 G HN 0.646 nan 8.290 nan 0.000 0.727 72 N N -0.828 117.708 118.700 -0.274 0.000 3.124 72 N HA 0.292 5.033 4.740 0.001 0.000 0.350 72 N C 0.497 175.913 175.510 -0.157 0.000 1.411 72 N CA -0.671 52.244 53.050 -0.225 0.000 0.729 72 N CB 0.368 38.672 38.487 -0.305 0.000 1.379 72 N HN 0.130 nan 8.380 nan 0.000 0.599 73 N N -1.202 117.315 118.700 -0.305 0.000 2.459 73 N HA 0.077 4.817 4.740 0.001 0.000 0.181 73 N C 0.249 175.330 175.510 -0.715 0.000 1.046 73 N CA 0.837 53.549 53.050 -0.563 0.000 0.904 73 N CB -0.239 37.750 38.487 -0.831 0.000 0.964 73 N HN 0.444 nan 8.380 nan 0.000 0.444 74 F N -0.833 119.070 119.950 -0.077 0.000 2.602 74 F HA 0.246 4.775 4.527 0.002 0.000 0.284 74 F C 0.470 176.257 175.800 -0.022 0.000 1.111 74 F CA -0.356 57.623 58.000 -0.034 0.000 1.405 74 F CB 0.073 39.137 39.000 0.107 0.000 1.121 74 F HN -0.179 nan 8.300 nan 0.000 0.603 75 F N -1.637 118.231 119.950 -0.136 0.000 2.662 75 F HA 0.843 5.371 4.527 0.000 0.000 0.312 75 F C 0.370 175.578 175.800 -0.987 0.000 1.113 75 F CA -1.796 55.862 58.000 -0.570 0.000 0.951 75 F CB 0.380 39.250 39.000 -0.216 0.000 1.344 75 F HN -0.067 nan 8.300 nan 0.000 0.462 76 G N 0.748 109.149 108.800 -0.664 0.000 3.224 76 G HA2 0.406 4.367 3.960 0.001 0.000 0.161 76 G HA3 0.406 4.367 3.960 0.001 0.000 0.161 76 G C -0.924 173.913 174.900 -0.105 0.000 1.872 76 G CA 0.214 45.053 45.100 -0.435 0.000 1.012 76 G HN 1.077 nan 8.290 nan 0.000 0.504 77 N N -2.084 116.534 118.700 -0.136 0.000 3.278 77 N HA 0.420 5.160 4.740 0.001 0.000 0.307 77 N C -0.123 175.323 175.510 -0.106 0.000 1.551 77 N CA -0.542 52.450 53.050 -0.098 0.000 0.794 77 N CB 1.015 39.396 38.487 -0.176 0.000 1.770 77 N HN 0.543 nan 8.380 nan 0.000 0.612 78 I N -4.108 116.410 120.570 -0.087 0.000 3.856 78 I HA 0.463 4.633 4.170 0.001 0.000 0.330 78 I C -0.411 175.689 176.117 -0.029 0.000 1.546 78 I CA -0.573 60.702 61.300 -0.042 0.000 1.132 78 I CB -0.465 37.512 38.000 -0.037 0.000 1.157 78 I HN 0.373 nan 8.210 nan 0.000 0.440 79 N N 0.497 119.126 118.700 -0.117 0.000 2.461 79 N HA 0.009 4.749 4.740 0.001 0.000 0.188 79 N C -0.056 175.519 175.510 0.108 0.000 1.134 79 N CA 0.318 53.317 53.050 -0.086 0.000 0.878 79 N CB 0.126 38.485 38.487 -0.213 0.000 0.972 79 N HN 0.472 nan 8.380 nan 0.000 0.456 80 W N 1.236 122.570 121.300 0.057 0.000 1.903 80 W HA 0.390 5.051 4.660 0.001 0.000 0.349 80 W C -0.654 175.895 176.519 0.051 0.000 0.814 80 W CA -1.227 56.162 57.345 0.074 0.000 2.728 80 W CB -0.857 28.684 29.460 0.136 0.000 1.621 80 W HN -0.071 nan 8.180 nan 0.000 0.644 81 L N 1.991 123.348 121.223 0.222 0.000 2.462 81 L HA 0.049 4.389 4.340 0.001 0.000 0.272 81 L C 1.237 178.175 176.870 0.113 0.000 1.166 81 L CA 0.666 55.594 54.840 0.148 0.000 0.880 81 L CB 0.293 42.420 42.059 0.113 0.000 1.142 81 L HN 0.023 nan 8.230 nan 0.000 0.473 82 M N 4.905 124.548 119.600 0.071 0.000 2.682 82 M HA -0.252 4.228 4.480 0.001 0.000 0.196 82 M C 0.655 176.963 176.300 0.014 0.000 0.542 82 M CA 0.670 55.989 55.300 0.031 0.000 0.593 82 M CB -1.678 30.948 32.600 0.043 0.000 2.183 82 M HN 0.722 nan 8.290 nan 0.000 0.663 83 L N -2.417 118.815 121.223 0.014 0.000 4.232 83 L HA -0.280 4.060 4.340 0.001 0.000 0.415 83 L C 0.834 177.722 176.870 0.030 0.000 1.168 83 L CA 0.976 55.782 54.840 -0.055 0.000 0.966 83 L CB -1.529 40.357 42.059 -0.288 0.000 2.052 83 L HN 0.506 nan 8.230 nan 0.000 0.887 84 K N 1.202 121.673 120.400 0.118 0.000 2.414 84 K HA 0.055 4.376 4.320 0.001 0.000 0.272 84 K C 1.245 177.967 176.600 0.204 0.000 0.993 84 K CA 0.535 56.906 56.287 0.138 0.000 0.964 84 K CB 0.314 32.897 32.500 0.138 0.000 0.925 84 K HN 0.305 nan 8.250 nan 0.000 0.487 85 N N 0.320 119.119 118.700 0.165 0.000 2.936 85 N HA -0.234 4.507 4.740 0.001 0.000 0.236 85 N C -0.700 174.891 175.510 0.134 0.000 0.930 85 N CA 1.180 54.349 53.050 0.198 0.000 0.966 85 N CB -1.189 37.488 38.487 0.318 0.000 1.090 85 N HN 0.494 nan 8.380 nan 0.000 0.592 86 I N 2.057 122.632 120.570 0.008 0.000 2.297 86 I HA 0.081 4.252 4.170 0.001 0.000 0.291 86 I C 0.689 176.834 176.117 0.046 0.000 1.033 86 I CA -0.346 60.898 61.300 -0.094 0.000 1.253 86 I CB 0.800 38.627 38.000 -0.287 0.000 1.396 86 I HN -0.126 nan 8.210 nan 0.000 0.476 87 E N 4.529 124.747 120.200 0.029 0.000 2.392 87 E HA -0.034 4.316 4.350 0.001 0.000 0.264 87 E C 0.868 177.435 176.600 -0.055 0.000 1.024 87 E CA -0.221 56.180 56.400 0.001 0.000 0.903 87 E CB 1.445 31.150 29.700 0.008 0.000 0.963 87 E HN 0.457 nan 8.360 nan 0.000 0.432 88 L N 3.843 124.956 121.223 -0.183 0.000 2.081 88 L HA -0.206 4.134 4.340 0.001 0.000 0.212 88 L C 2.067 178.732 176.870 -0.342 0.000 1.080 88 L CA 2.470 57.053 54.840 -0.430 0.000 0.754 88 L CB -0.930 40.867 42.059 -0.437 0.000 0.893 88 L HN 0.668 nan 8.230 nan 0.000 0.433 89 T N -2.605 111.842 114.554 -0.179 0.000 3.169 89 T HA 0.416 4.766 4.350 0.001 0.000 0.250 89 T C 0.807 175.619 174.700 0.186 0.000 1.111 89 T CA 0.107 62.185 62.100 -0.038 0.000 1.010 89 T CB -0.753 68.120 68.868 0.008 0.000 0.984 89 T HN 0.409 nan 8.240 nan 0.000 0.537 90 A N 1.282 124.171 122.820 0.114 0.000 2.477 90 A HA 0.552 4.872 4.320 0.001 0.000 0.246 90 A C 0.143 177.823 177.584 0.161 0.000 1.078 90 A CA -0.393 51.710 52.037 0.111 0.000 0.770 90 A CB 0.208 19.238 19.000 0.049 0.000 1.011 90 A HN 0.380 nan 8.150 nan 0.000 0.494 91 V N 3.228 123.184 119.914 0.070 0.000 2.513 91 V HA 0.571 4.691 4.120 0.001 0.000 0.299 91 V C -0.106 175.966 176.094 -0.036 0.000 1.035 91 V CA -0.359 61.930 62.300 -0.018 0.000 0.889 91 V CB 1.495 33.264 31.823 -0.090 0.000 0.988 91 V HN 0.971 nan 8.190 nan 0.000 0.440 92 M N 4.618 124.173 119.600 -0.076 0.000 2.093 92 M HA 0.712 5.193 4.480 0.001 0.000 0.297 92 M C 0.346 176.563 176.300 -0.139 0.000 0.938 92 M CA 1.055 56.283 55.300 -0.121 0.000 0.920 92 M CB 0.851 33.321 32.600 -0.216 0.000 1.517 92 M HN 1.061 nan 8.290 nan 0.000 0.427 93 G N 3.079 111.814 108.800 -0.107 0.000 2.609 93 G HA2 -0.298 3.662 3.960 0.001 0.000 0.288 93 G HA3 -0.298 3.662 3.960 0.001 0.000 0.288 93 G C 0.330 175.173 174.900 -0.094 0.000 1.211 93 G CA 0.584 45.628 45.100 -0.094 0.000 0.963 93 G HN 1.550 nan 8.290 nan 0.000 0.541 94 S N 0.321 115.959 115.700 -0.104 0.000 2.730 94 S HA 0.630 5.100 4.470 0.001 0.000 0.244 94 S C 0.577 175.077 174.600 -0.165 0.000 1.022 94 S CA 0.570 58.699 58.200 -0.119 0.000 1.014 94 S CB -0.303 62.844 63.200 -0.089 0.000 0.963 94 S HN 1.705 nan 8.310 nan 0.000 0.540 95 I N -2.720 117.747 120.570 -0.170 0.000 3.042 95 I HA 0.700 4.870 4.170 0.001 0.000 0.310 95 I C -1.088 174.911 176.117 -0.197 0.000 1.117 95 I CA -1.814 59.369 61.300 -0.195 0.000 1.003 95 I CB 0.869 38.816 38.000 -0.088 0.000 1.228 95 I HN -0.141 nan 8.210 nan 0.000 0.443 96 Y N 1.761 122.052 120.300 -0.015 0.000 2.511 96 Y HA 0.031 4.581 4.550 0.001 0.000 0.332 96 Y C 1.698 177.605 175.900 0.013 0.000 1.177 96 Y CA 0.416 58.511 58.100 -0.008 0.000 1.422 96 Y CB 0.539 38.992 38.460 -0.011 0.000 1.271 96 Y HN 0.675 nan 8.280 nan 0.000 0.550 97 Q N 1.817 121.724 119.800 0.178 0.000 2.181 97 Q HA -0.251 4.089 4.340 0.001 0.000 0.205 97 Q C 1.201 177.233 176.000 0.054 0.000 0.980 97 Q CA 1.703 57.548 55.803 0.071 0.000 0.862 97 Q CB -0.181 28.543 28.738 -0.022 0.000 0.905 97 Q HN 0.857 nan 8.270 nan 0.000 0.429 98 Y N 0.228 120.485 120.300 -0.072 0.000 2.256 98 Y HA -0.211 4.339 4.550 0.001 0.000 0.288 98 Y C 1.848 177.710 175.900 -0.063 0.000 1.155 98 Y CA 1.211 59.242 58.100 -0.115 0.000 1.203 98 Y CB -0.040 38.362 38.460 -0.096 0.000 0.980 98 Y HN 0.185 nan 8.280 nan 0.000 0.530 99 I N -1.468 119.194 120.570 0.152 0.000 2.353 99 I HA -0.311 3.859 4.170 0.001 0.000 0.248 99 I C 2.602 178.760 176.117 0.067 0.000 1.119 99 I CA 1.401 62.760 61.300 0.098 0.000 1.417 99 I CB -0.541 37.515 38.000 0.095 0.000 1.078 99 I HN 0.302 nan 8.210 nan 0.000 0.421 100 H N 0.985 120.025 119.070 -0.050 0.000 2.387 100 H HA -0.129 4.427 4.556 0.001 0.000 0.299 100 H C 2.286 177.573 175.328 -0.067 0.000 1.090 100 H CA 1.837 57.845 56.048 -0.067 0.000 1.332 100 H CB 0.264 29.978 29.762 -0.081 0.000 1.386 100 H HN 0.118 nan 8.280 nan 0.000 0.516 101 V N 1.290 121.038 119.914 -0.276 0.000 2.295 101 V HA -0.268 3.852 4.120 0.001 0.000 0.246 101 V C 3.048 179.128 176.094 -0.023 0.000 1.049 101 V CA 1.683 63.714 62.300 -0.449 0.000 1.024 101 V CB -1.156 30.203 31.823 -0.774 0.000 0.648 101 V HN 0.583 nan 8.190 nan 0.000 0.447 102 A N -0.667 122.124 122.820 -0.049 0.000 1.873 102 A HA -0.211 4.109 4.320 0.001 0.000 0.215 102 A C 2.113 179.696 177.584 -0.003 0.000 1.186 102 A CA 1.902 53.937 52.037 -0.004 0.000 0.616 102 A CB -0.714 18.300 19.000 0.024 0.000 0.823 102 A HN 0.491 nan 8.150 nan 0.000 0.442 103 F N 0.644 120.513 119.950 -0.136 0.000 2.069 103 F HA -0.220 4.307 4.527 0.001 0.000 0.298 103 F C 2.552 178.231 175.800 -0.201 0.000 1.113 103 F CA 2.256 60.165 58.000 -0.152 0.000 1.214 103 F CB -0.219 38.654 39.000 -0.211 0.000 0.978 103 F HN 0.190 nan 8.300 nan 0.000 0.474 104 Q N 0.244 119.883 119.800 -0.269 0.000 2.124 104 Q HA -0.100 4.240 4.340 0.001 0.000 0.202 104 Q C 2.560 178.223 176.000 -0.562 0.000 0.977 104 Q CA 1.429 57.021 55.803 -0.351 0.000 0.850 104 Q CB -1.406 27.250 28.738 -0.137 0.000 0.901 104 Q HN 0.571 nan 8.270 nan 0.000 0.429 105 G N 0.888 109.256 108.800 -0.721 0.000 2.422 105 G HA2 -0.262 3.698 3.960 0.001 0.000 0.218 105 G HA3 -0.262 3.698 3.960 0.001 0.000 0.218 105 G C 1.651 176.129 174.900 -0.704 0.000 1.146 105 G CA 1.391 45.660 45.100 -1.385 0.000 0.769 105 G HN 0.519 nan 8.290 nan 0.000 0.547 106 S N 0.167 115.639 115.700 -0.380 0.000 2.399 106 S HA -0.043 4.428 4.470 0.001 0.000 0.231 106 S C 2.069 176.542 174.600 -0.211 0.000 1.022 106 S CA 1.011 59.083 58.200 -0.213 0.000 0.983 106 S CB -0.493 62.625 63.200 -0.135 0.000 0.803 106 S HN 0.164 nan 8.310 nan 0.000 0.480 107 F N 2.428 122.094 119.950 -0.474 0.000 2.206 107 F HA 0.267 4.794 4.527 0.000 0.000 0.298 107 F C 2.840 178.435 175.800 -0.343 0.000 1.090 107 F CA 0.312 58.129 58.000 -0.305 0.000 1.323 107 F CB -1.018 37.835 39.000 -0.244 0.000 1.028 107 F HN 0.319 nan 8.300 nan 0.000 0.492 108 A N -1.066 121.452 122.820 -0.504 0.000 1.933 108 A HA -0.192 4.129 4.320 0.001 0.000 0.218 108 A C 2.345 179.641 177.584 -0.481 0.000 1.175 108 A CA 1.769 53.228 52.037 -0.963 0.000 0.628 108 A CB -1.478 16.896 19.000 -1.044 0.000 0.814 108 A HN 0.461 nan 8.150 nan 0.000 0.444 109 C N -1.244 117.860 119.300 -0.325 0.000 2.432 109 C HA -0.093 4.367 4.460 0.001 0.000 0.277 109 C C 2.470 177.437 174.990 -0.038 0.000 1.249 109 C CA 1.109 60.062 59.018 -0.108 0.000 1.725 109 C CB -1.246 26.509 27.740 0.026 0.000 2.028 109 C HN 0.690 nan 8.230 nan 0.000 0.477 110 I N 1.176 121.681 120.570 -0.108 0.000 2.315 110 I HA -0.144 4.027 4.170 0.001 0.000 0.248 110 I C 2.346 178.399 176.117 -0.106 0.000 1.117 110 I CA 1.845 63.061 61.300 -0.139 0.000 1.404 110 I CB -0.669 37.162 38.000 -0.282 0.000 1.071 110 I HN 0.283 nan 8.210 nan 0.000 0.419 111 T N -0.209 114.301 114.554 -0.073 0.000 2.708 111 T HA -0.144 4.206 4.350 0.001 0.000 0.266 111 T C 2.020 176.751 174.700 0.051 0.000 1.037 111 T CA 1.872 63.997 62.100 0.042 0.000 1.146 111 T CB -0.501 68.475 68.868 0.180 0.000 0.865 111 T HN 0.208 nan 8.240 nan 0.000 0.435 112 V N 1.333 121.269 119.914 0.036 0.000 2.427 112 V HA -0.046 4.074 4.120 0.001 0.000 0.248 112 V C 2.872 178.981 176.094 0.025 0.000 1.051 112 V CA 1.813 64.143 62.300 0.050 0.000 1.048 112 V CB -1.330 30.534 31.823 0.068 0.000 0.666 112 V HN 0.600 nan 8.190 nan 0.000 0.456 113 G N 0.010 108.826 108.800 0.027 0.000 2.440 113 G HA2 -0.235 3.725 3.960 0.001 0.000 0.218 113 G HA3 -0.235 3.725 3.960 0.001 0.000 0.218 113 G C 1.585 176.520 174.900 0.058 0.000 1.154 113 G CA 1.027 46.150 45.100 0.038 0.000 0.767 113 G HN 0.468 nan 8.290 nan 0.000 0.552 114 L N -0.030 121.210 121.223 0.029 0.000 2.042 114 L HA -0.078 4.262 4.340 0.001 0.000 0.210 114 L C 2.844 179.734 176.870 0.033 0.000 1.076 114 L CA 0.903 55.782 54.840 0.063 0.000 0.749 114 L CB -0.353 41.637 42.059 -0.114 0.000 0.893 114 L HN 0.241 nan 8.230 nan 0.000 0.432 115 I N -1.420 119.123 120.570 -0.046 0.000 2.235 115 I HA -0.190 3.980 4.170 0.001 0.000 0.241 115 I C 2.417 178.450 176.117 -0.140 0.000 1.085 115 I CA 0.718 61.959 61.300 -0.098 0.000 1.378 115 I CB -0.343 37.576 38.000 -0.134 0.000 1.076 115 I HN -0.053 nan 8.210 nan 0.000 0.415 116 V N 1.373 121.230 119.914 -0.095 0.000 2.343 116 V HA -0.211 3.910 4.120 0.001 0.000 0.247 116 V C 2.643 178.597 176.094 -0.234 0.000 1.051 116 V CA 2.224 64.451 62.300 -0.122 0.000 1.036 116 V CB -1.522 30.270 31.823 -0.052 0.000 0.654 116 V HN 0.587 nan 8.190 nan 0.000 0.451 117 G N -0.451 108.183 108.800 -0.277 0.000 2.442 117 G HA2 -0.212 3.749 3.960 0.001 0.000 0.219 117 G HA3 -0.212 3.749 3.960 0.001 0.000 0.219 117 G C 1.708 175.956 174.900 -1.086 0.000 1.141 117 G CA 1.115 45.911 45.100 -0.506 0.000 0.763 117 G HN 0.622 nan 8.290 nan 0.000 0.554 118 A N 0.073 122.187 122.820 -1.178 0.000 1.930 118 A HA 0.306 4.627 4.320 0.001 0.000 0.215 118 A C 2.284 179.647 177.584 -0.368 0.000 1.176 118 A CA 0.823 52.377 52.037 -0.806 0.000 0.632 118 A CB -0.186 18.586 19.000 -0.380 0.000 0.819 118 A HN 0.334 nan 8.150 nan 0.000 0.445 119 L N -1.009 120.034 121.223 -0.299 0.000 2.529 119 L HA 0.092 4.433 4.340 0.001 0.000 0.223 119 L C 2.792 179.547 176.870 -0.193 0.000 1.113 119 L CA 0.466 55.175 54.840 -0.218 0.000 0.861 119 L CB -0.279 41.653 42.059 -0.212 0.000 1.012 119 L HN 0.400 nan 8.230 nan 0.000 0.461 120 A N 0.499 123.193 122.820 -0.210 0.000 1.927 120 A HA -0.291 4.029 4.320 0.001 0.000 0.220 120 A C 2.155 179.656 177.584 -0.138 0.000 1.185 120 A CA 1.998 53.925 52.037 -0.182 0.000 0.639 120 A CB -0.426 18.460 19.000 -0.189 0.000 0.820 120 A HN 0.451 nan 8.150 nan 0.000 0.451 121 E N -0.828 119.297 120.200 -0.125 0.000 2.097 121 E HA -0.244 4.106 4.350 0.001 0.000 0.196 121 E C 2.153 178.703 176.600 -0.082 0.000 1.000 121 E CA 1.658 58.004 56.400 -0.089 0.000 0.804 121 E CB -0.146 29.508 29.700 -0.078 0.000 0.740 121 E HN 0.838 nan 8.360 nan 0.000 0.454 122 R N -0.089 120.352 120.500 -0.099 0.000 2.334 122 R HA 0.272 4.613 4.340 0.001 0.000 0.212 122 R C 1.044 177.287 176.300 -0.095 0.000 0.897 122 R CA -0.050 55.993 56.100 -0.095 0.000 1.056 122 R CB 0.177 30.411 30.300 -0.110 0.000 1.046 122 R HN 0.071 nan 8.270 nan 0.000 0.513 123 I N 1.902 122.414 120.570 -0.098 0.000 2.460 123 I HA 0.260 4.431 4.170 0.001 0.000 0.298 123 I C -0.126 175.971 176.117 -0.035 0.000 0.989 123 I CA -1.454 59.801 61.300 -0.074 0.000 1.173 123 I CB 1.923 39.872 38.000 -0.085 0.000 1.338 123 I HN 0.056 nan 8.210 nan 0.000 0.456 124 R N 4.702 125.206 120.500 0.007 0.000 2.623 124 R HA -0.021 4.320 4.340 0.001 0.000 0.271 124 R C 0.457 176.828 176.300 0.118 0.000 1.043 124 R CA 0.052 56.189 56.100 0.061 0.000 1.083 124 R CB 0.456 30.793 30.300 0.062 0.000 0.974 124 R HN 0.686 nan 8.270 nan 0.000 0.436 125 F N 2.625 122.585 119.950 0.016 0.000 2.043 125 F HA -0.297 4.231 4.527 0.000 0.000 0.297 125 F C 2.469 178.294 175.800 0.042 0.000 1.121 125 F CA 2.579 60.596 58.000 0.028 0.000 1.199 125 F CB -0.591 38.423 39.000 0.024 0.000 0.968 125 F HN 0.734 nan 8.300 nan 0.000 0.478 126 S N 0.128 116.034 115.700 0.344 0.000 2.399 126 S HA -0.158 4.313 4.470 0.001 0.000 0.231 126 S C 2.195 176.902 174.600 0.178 0.000 1.022 126 S CA 0.936 59.261 58.200 0.209 0.000 0.983 126 S CB -1.200 62.064 63.200 0.107 0.000 0.803 126 S HN 0.410 nan 8.310 nan 0.000 0.480 127 A N 0.931 123.845 122.820 0.157 0.000 1.968 127 A HA 0.164 4.484 4.320 0.001 0.000 0.217 127 A C 2.368 180.061 177.584 0.182 0.000 1.169 127 A CA 1.199 53.322 52.037 0.142 0.000 0.638 127 A CB -0.938 18.127 19.000 0.107 0.000 0.812 127 A HN 0.501 nan 8.150 nan 0.000 0.446 128 V N -0.083 119.932 119.914 0.167 0.000 2.453 128 V HA -0.128 3.992 4.120 0.001 0.000 0.247 128 V C 2.312 178.539 176.094 0.222 0.000 1.048 128 V CA 1.694 64.099 62.300 0.175 0.000 1.049 128 V CB -0.365 31.479 31.823 0.035 0.000 0.672 128 V HN 0.585 nan 8.190 nan 0.000 0.457 129 L N -0.599 120.757 121.223 0.222 0.000 2.056 129 L HA -0.157 4.183 4.340 0.001 0.000 0.207 129 L C 2.374 179.337 176.870 0.155 0.000 1.078 129 L CA 1.872 56.833 54.840 0.201 0.000 0.749 129 L CB -0.493 41.702 42.059 0.225 0.000 0.901 129 L HN 0.275 nan 8.230 nan 0.000 0.433 130 I N -0.717 119.945 120.570 0.153 0.000 2.179 130 I HA -0.340 3.831 4.170 0.001 0.000 0.242 130 I C 2.530 178.712 176.117 0.107 0.000 1.088 130 I CA 1.526 62.896 61.300 0.117 0.000 1.357 130 I CB -0.332 37.735 38.000 0.111 0.000 1.051 130 I HN 0.173 nan 8.210 nan 0.000 0.409 131 F N 1.313 121.270 119.950 0.011 0.000 2.134 131 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 131 F C 2.323 178.135 175.800 0.021 0.000 1.097 131 F CA 1.563 59.522 58.000 -0.068 0.000 1.264 131 F CB -0.503 38.368 39.000 -0.215 0.000 1.001 131 F HN -0.236 nan 8.300 nan 0.000 0.479 132 V N 0.072 119.938 119.914 -0.079 0.000 2.287 132 V HA -0.323 3.797 4.120 0.001 0.000 0.248 132 V C 2.457 178.520 176.094 -0.051 0.000 1.053 132 V CA 1.821 64.064 62.300 -0.094 0.000 1.027 132 V CB -0.795 31.082 31.823 0.090 0.000 0.646 132 V HN 0.330 nan 8.190 nan 0.000 0.447 133 V N -0.342 119.579 119.914 0.011 0.000 2.255 133 V HA -0.255 3.865 4.120 0.001 0.000 0.247 133 V C 2.388 178.498 176.094 0.026 0.000 1.051 133 V CA 2.173 64.507 62.300 0.057 0.000 1.018 133 V CB -0.532 31.337 31.823 0.076 0.000 0.641 133 V HN 0.409 nan 8.190 nan 0.000 0.445 134 V N -1.482 118.409 119.914 -0.039 0.000 2.261 134 V HA -0.287 3.834 4.120 0.001 0.000 0.246 134 V C 1.978 178.043 176.094 -0.049 0.000 1.047 134 V CA 2.467 64.740 62.300 -0.044 0.000 1.015 134 V CB -0.729 31.068 31.823 -0.044 0.000 0.642 134 V HN 0.774 nan 8.190 nan 0.000 0.446 135 W N 0.115 121.168 121.300 -0.411 0.000 2.418 135 W HA -0.116 4.544 4.660 -0.000 0.000 0.292 135 W C 2.169 178.629 176.519 -0.098 0.000 1.213 135 W CA 1.493 58.621 57.345 -0.360 0.000 1.283 135 W CB -0.126 28.814 29.460 -0.867 0.000 1.119 135 W HN 0.201 nan 8.180 nan 0.000 0.542 136 L N 0.358 121.647 121.223 0.110 0.000 2.017 136 L HA -0.176 4.165 4.340 0.001 0.000 0.208 136 L C 2.322 179.245 176.870 0.089 0.000 1.073 136 L CA 2.728 57.640 54.840 0.120 0.000 0.745 136 L CB -1.226 40.935 42.059 0.170 0.000 0.894 136 L HN -0.124 nan 8.230 nan 0.000 0.432 137 T N -0.258 114.360 114.554 0.107 0.000 2.737 137 T HA -0.104 4.247 4.350 0.001 0.000 0.265 137 T C 1.756 176.479 174.700 0.039 0.000 1.038 137 T CA 1.887 64.067 62.100 0.133 0.000 1.144 137 T CB -0.215 68.721 68.868 0.113 0.000 0.866 137 T HN 0.289 nan 8.240 nan 0.000 0.434 138 L N -0.109 121.108 121.223 -0.009 0.000 2.554 138 L HA 0.283 4.623 4.340 0.001 0.000 0.225 138 L C 2.311 179.256 176.870 0.126 0.000 1.104 138 L CA 0.302 55.167 54.840 0.041 0.000 0.866 138 L CB 0.062 42.127 42.059 0.011 0.000 1.047 138 L HN 0.208 nan 8.230 nan 0.000 0.468 139 S N -1.433 114.164 115.700 -0.171 0.000 3.148 139 S HA -0.015 4.455 4.470 0.001 0.000 0.246 139 S C 1.715 176.003 174.600 -0.520 0.000 1.041 139 S CA -0.167 57.841 58.200 -0.320 0.000 0.813 139 S CB -0.218 62.459 63.200 -0.871 0.000 0.813 139 S HN 0.313 nan 8.310 nan 0.000 0.546 140 Y N 2.467 122.278 120.300 -0.816 0.000 2.097 140 Y HA -0.053 4.498 4.550 0.000 0.000 0.282 140 Y C 1.931 177.724 175.900 -0.180 0.000 1.152 140 Y CA 2.101 59.913 58.100 -0.480 0.000 1.136 140 Y CB -0.383 37.892 38.460 -0.309 0.000 0.975 140 Y HN 0.304 nan 8.280 nan 0.000 0.498 141 I N 0.146 120.732 120.570 0.027 0.000 2.127 141 I HA -0.263 3.907 4.170 0.001 0.000 0.241 141 I C -0.679 175.360 176.117 -0.131 0.000 1.075 141 I CA 1.519 62.849 61.300 0.050 0.000 1.334 141 I CB -1.503 36.589 38.000 0.153 0.000 1.040 141 I HN 0.211 nan 8.210 nan 0.000 0.405 142 P HA -0.134 nan 4.420 nan 0.000 0.217 142 P C 1.825 178.861 177.300 -0.440 0.000 1.150 142 P CA 1.561 64.547 63.100 -0.190 0.000 0.832 142 P CB -0.021 31.613 31.700 -0.110 0.000 0.787 143 I N -0.821 119.386 120.570 -0.605 0.000 2.315 143 I HA -0.206 3.965 4.170 0.001 0.000 0.248 143 I C 2.320 178.084 176.117 -0.588 0.000 1.117 143 I CA 1.281 62.203 61.300 -0.630 0.000 1.404 143 I CB -0.754 36.898 38.000 -0.581 0.000 1.071 143 I HN -0.088 nan 8.210 nan 0.000 0.419 144 A N 0.250 122.696 122.820 -0.625 0.000 1.902 144 A HA -0.300 4.020 4.320 0.001 0.000 0.217 144 A C 2.198 179.519 177.584 -0.438 0.000 1.181 144 A CA 2.073 53.780 52.037 -0.551 0.000 0.623 144 A CB -0.959 17.787 19.000 -0.424 0.000 0.818 144 A HN 0.501 nan 8.150 nan 0.000 0.443 145 H N -0.562 118.217 119.070 -0.486 0.000 2.321 145 H HA -0.040 4.516 4.556 0.001 0.000 0.300 145 H C 1.987 177.111 175.328 -0.341 0.000 1.087 145 H CA 2.255 58.046 56.048 -0.429 0.000 1.319 145 H CB -0.247 29.326 29.762 -0.316 0.000 1.379 145 H HN 0.405 nan 8.280 nan 0.000 0.501 146 M N -0.832 118.540 119.600 -0.381 0.000 2.159 146 M HA -0.153 4.328 4.480 0.001 0.000 0.263 146 M C 2.080 178.160 176.300 -0.367 0.000 1.063 146 M CA 1.417 56.473 55.300 -0.406 0.000 1.110 146 M CB 0.120 32.481 32.600 -0.399 0.000 1.374 146 M HN 0.216 nan 8.290 nan 0.000 0.411 147 V N -2.212 117.457 119.914 -0.409 0.000 2.426 147 V HA -0.126 3.994 4.120 0.001 0.000 0.242 147 V C 1.449 177.404 176.094 -0.232 0.000 1.036 147 V CA 1.164 63.219 62.300 -0.409 0.000 1.044 147 V CB -0.242 31.170 31.823 -0.685 0.000 0.688 147 V HN 0.557 nan 8.190 nan 0.000 0.462 148 W N 0.040 121.265 121.300 -0.125 0.000 2.998 148 W HA 0.482 5.143 4.660 0.001 0.000 0.336 148 W C 1.644 178.183 176.519 0.034 0.000 1.112 148 W CA 0.304 57.659 57.345 0.016 0.000 1.682 148 W CB -0.151 29.415 29.460 0.177 0.000 1.065 148 W HN 0.321 nan 8.180 nan 0.000 0.570 149 G N -0.322 108.421 108.800 -0.096 0.000 3.707 149 G HA2 0.373 4.333 3.960 0.001 0.000 0.286 149 G HA3 0.373 4.333 3.960 0.001 0.000 0.286 149 G C 1.183 175.834 174.900 -0.414 0.000 1.112 149 G CA 0.141 45.097 45.100 -0.241 0.000 0.861 149 G HN 0.232 nan 8.290 nan 0.000 0.534 150 G N -0.773 107.880 108.800 -0.245 0.000 2.153 150 G HA2 -0.070 3.891 3.960 0.001 0.000 0.252 150 G HA3 -0.070 3.891 3.960 0.001 0.000 0.252 150 G C 0.888 175.585 174.900 -0.339 0.000 0.994 150 G CA 0.403 45.373 45.100 -0.217 0.000 0.698 150 G HN 1.014 nan 8.290 nan 0.000 0.521 151 G N -1.055 107.427 108.800 -0.530 0.000 2.489 151 G HA2 0.524 4.484 3.960 0.001 0.000 0.271 151 G HA3 0.524 4.484 3.960 0.001 0.000 0.271 151 G C 1.342 176.051 174.900 -0.319 0.000 1.427 151 G CA 0.142 44.953 45.100 -0.481 0.000 1.057 151 G HN 0.893 nan 8.290 nan 0.000 0.532 152 L N -0.558 120.436 121.223 -0.382 0.000 1.991 152 L HA -0.180 4.160 4.340 0.001 0.000 0.221 152 L C 2.829 179.661 176.870 -0.063 0.000 1.079 152 L CA 1.893 56.580 54.840 -0.255 0.000 0.778 152 L CB -0.569 41.236 42.059 -0.422 0.000 0.893 152 L HN 0.506 nan 8.230 nan 0.000 0.437 153 L N -1.213 119.925 121.223 -0.142 0.000 2.027 153 L HA -0.173 4.168 4.340 0.001 0.000 0.206 153 L C 2.661 179.520 176.870 -0.019 0.000 1.074 153 L CA 1.207 55.998 54.840 -0.081 0.000 0.745 153 L CB -0.960 41.015 42.059 -0.139 0.000 0.898 153 L HN 0.400 nan 8.230 nan 0.000 0.433 154 A N 0.055 122.835 122.820 -0.066 0.000 1.933 154 A HA -0.223 4.097 4.320 0.001 0.000 0.218 154 A C 2.517 180.096 177.584 -0.008 0.000 1.175 154 A CA 1.920 53.944 52.037 -0.021 0.000 0.628 154 A CB -0.719 18.258 19.000 -0.038 0.000 0.814 154 A HN 0.502 nan 8.150 nan 0.000 0.444 155 S N -1.118 114.561 115.700 -0.036 0.000 2.474 155 S HA -0.171 4.299 4.470 0.001 0.000 0.235 155 S C 1.381 175.900 174.600 -0.134 0.000 0.997 155 S CA 1.491 59.644 58.200 -0.078 0.000 0.949 155 S CB -0.599 62.536 63.200 -0.108 0.000 0.766 155 S HN 0.688 nan 8.310 nan 0.000 0.517 156 H N 0.415 119.462 119.070 -0.038 0.000 2.586 156 H HA 0.435 4.991 4.556 0.001 0.000 0.273 156 H C 1.446 176.793 175.328 0.031 0.000 0.997 156 H CA 0.152 56.199 56.048 -0.001 0.000 1.177 156 H CB 0.385 30.133 29.762 -0.023 0.000 1.471 156 H HN 0.524 nan 8.280 nan 0.000 0.538 157 G N 0.479 109.335 108.800 0.093 0.000 2.160 157 G HA2 -0.235 3.725 3.960 0.001 0.000 0.244 157 G HA3 -0.235 3.725 3.960 0.001 0.000 0.244 157 G C 0.357 175.300 174.900 0.073 0.000 1.022 157 G CA 0.085 45.234 45.100 0.082 0.000 0.741 157 G HN 0.655 nan 8.290 nan 0.000 0.508 158 A N -0.309 122.548 122.820 0.061 0.000 2.477 158 A HA 0.628 4.948 4.320 0.001 0.000 0.246 158 A C 0.601 178.224 177.584 0.065 0.000 1.078 158 A CA 0.244 52.307 52.037 0.044 0.000 0.770 158 A CB 0.343 19.351 19.000 0.014 0.000 1.011 158 A HN 0.965 nan 8.150 nan 0.000 0.494 159 L N 2.655 123.912 121.223 0.057 0.000 2.265 159 L HA 0.452 4.793 4.340 0.001 0.000 0.289 159 L C -0.458 176.567 176.870 0.258 0.000 1.033 159 L CA -0.237 54.632 54.840 0.048 0.000 0.814 159 L CB 1.257 43.186 42.059 -0.216 0.000 1.203 159 L HN 0.731 nan 8.230 nan 0.000 0.423 160 D N 2.262 122.946 120.400 0.474 0.000 2.445 160 D HA 0.062 4.702 4.640 0.001 0.000 0.236 160 D C 0.218 176.965 176.300 0.745 0.000 1.315 160 D CA -0.425 53.881 54.000 0.510 0.000 0.924 160 D CB 0.617 41.568 40.800 0.252 0.000 1.447 160 D HN 0.258 nan 8.370 nan 0.000 0.532 161 F N 2.827 123.145 119.950 0.613 0.000 2.069 161 F HA 0.006 4.533 4.527 0.001 0.000 0.298 161 F C 1.840 177.883 175.800 0.407 0.000 1.113 161 F CA 2.164 60.392 58.000 0.381 0.000 1.214 161 F CB 0.392 39.416 39.000 0.040 0.000 0.978 161 F HN 0.434 nan 8.300 nan 0.000 0.474 162 A N -1.648 121.556 122.820 0.640 0.000 2.545 162 A HA 0.558 4.879 4.320 0.001 0.000 0.263 162 A C 0.947 179.043 177.584 0.853 0.000 1.202 162 A CA 0.430 52.794 52.037 0.545 0.000 0.959 162 A CB -0.282 19.032 19.000 0.524 0.000 1.124 162 A HN 0.877 nan 8.150 nan 0.000 0.543 163 G N -1.122 108.204 108.800 0.875 0.000 2.245 163 G HA2 0.035 3.995 3.960 0.001 0.000 0.130 163 G HA3 0.035 3.995 3.960 0.001 0.000 0.130 163 G C 0.993 176.170 174.900 0.461 0.000 1.040 163 G CA 0.254 45.704 45.100 0.585 0.000 0.713 163 G HN 1.094 nan 8.290 nan 0.000 0.488 164 G N 0.233 109.319 108.800 0.476 0.000 2.440 164 G HA2 0.030 3.990 3.960 0.001 0.000 0.218 164 G HA3 0.030 3.990 3.960 0.001 0.000 0.218 164 G C 1.867 176.956 174.900 0.316 0.000 1.154 164 G CA 2.646 48.023 45.100 0.462 0.000 0.767 164 G HN 1.428 nan 8.290 nan 0.000 0.552 165 T N -1.108 113.548 114.554 0.170 0.000 2.818 165 T HA -0.008 4.342 4.350 0.001 0.000 0.246 165 T C 2.326 177.038 174.700 0.019 0.000 1.036 165 T CA 1.271 63.418 62.100 0.079 0.000 1.160 165 T CB -0.678 68.177 68.868 -0.023 0.000 0.869 165 T HN -0.012 nan 8.240 nan 0.000 0.419 166 V N 1.763 121.575 119.914 -0.171 0.000 2.324 166 V HA -0.150 3.971 4.120 0.001 0.000 0.250 166 V C 2.777 178.910 176.094 0.065 0.000 1.060 166 V CA 1.851 63.985 62.300 -0.277 0.000 1.042 166 V CB -0.859 30.516 31.823 -0.747 0.000 0.650 166 V HN 0.442 nan 8.190 nan 0.000 0.450 167 V N -1.511 118.507 119.914 0.172 0.000 2.484 167 V HA -0.013 4.107 4.120 0.001 0.000 0.236 167 V C 2.313 178.481 176.094 0.124 0.000 1.062 167 V CA 1.115 63.531 62.300 0.192 0.000 1.081 167 V CB -0.769 31.101 31.823 0.078 0.000 0.751 167 V HN 0.470 nan 8.190 nan 0.000 0.484 168 H N 0.395 119.679 119.070 0.356 0.000 2.256 168 H HA -0.028 4.528 4.556 0.001 0.000 0.299 168 H C 2.329 177.839 175.328 0.302 0.000 1.071 168 H CA 2.182 58.437 56.048 0.345 0.000 1.280 168 H CB -0.385 29.604 29.762 0.378 0.000 1.370 168 H HN 0.306 nan 8.280 nan 0.000 0.490 169 I N 0.920 121.719 120.570 0.383 0.000 2.315 169 I HA -0.227 3.943 4.170 0.001 0.000 0.248 169 I C 2.468 178.806 176.117 0.369 0.000 1.117 169 I CA 0.838 62.335 61.300 0.328 0.000 1.404 169 I CB -0.278 37.878 38.000 0.260 0.000 1.071 169 I HN 0.153 nan 8.210 nan 0.000 0.419 170 N N 1.497 120.415 118.700 0.363 0.000 2.043 170 N HA -0.175 4.565 4.740 0.001 0.000 0.193 170 N C 1.864 177.743 175.510 0.616 0.000 1.037 170 N CA 2.090 55.431 53.050 0.484 0.000 0.851 170 N CB -0.202 38.540 38.487 0.426 0.000 1.027 170 N HN 0.346 nan 8.380 nan 0.000 0.422 171 A N 0.217 123.317 122.820 0.467 0.000 1.930 171 A HA 0.135 4.455 4.320 0.001 0.000 0.217 171 A C 2.343 180.055 177.584 0.214 0.000 1.175 171 A CA 1.832 54.012 52.037 0.238 0.000 0.627 171 A CB -0.998 18.085 19.000 0.137 0.000 0.815 171 A HN 0.415 nan 8.150 nan 0.000 0.443 172 A N 0.226 123.239 122.820 0.321 0.000 1.877 172 A HA -0.092 4.228 4.320 0.001 0.000 0.216 172 A C 2.024 179.876 177.584 0.446 0.000 1.186 172 A CA 1.674 53.958 52.037 0.411 0.000 0.620 172 A CB -0.489 18.797 19.000 0.476 0.000 0.822 172 A HN 0.414 nan 8.150 nan 0.000 0.443 173 I N -0.160 120.672 120.570 0.438 0.000 2.252 173 I HA -0.212 3.959 4.170 0.001 0.000 0.245 173 I C 2.968 179.254 176.117 0.282 0.000 1.102 173 I CA 1.403 62.910 61.300 0.345 0.000 1.385 173 I CB -1.617 36.600 38.000 0.363 0.000 1.064 173 I HN 0.369 nan 8.210 nan 0.000 0.414 174 A N 1.229 124.222 122.820 0.289 0.000 1.883 174 A HA -0.140 4.181 4.320 0.001 0.000 0.217 174 A C 2.511 180.175 177.584 0.134 0.000 1.186 174 A CA 2.035 54.186 52.037 0.190 0.000 0.624 174 A CB -1.379 17.471 19.000 -0.249 0.000 0.822 174 A HN 0.431 nan 8.150 nan 0.000 0.444 175 G N -0.633 108.209 108.800 0.069 0.000 2.422 175 G HA2 -0.115 3.845 3.960 0.001 0.000 0.218 175 G HA3 -0.115 3.845 3.960 0.001 0.000 0.218 175 G C 1.461 176.373 174.900 0.020 0.000 1.146 175 G CA 1.166 46.278 45.100 0.021 0.000 0.769 175 G HN 0.375 nan 8.290 nan 0.000 0.547 176 L N 0.433 121.702 121.223 0.075 0.000 2.056 176 L HA 0.015 4.355 4.340 0.001 0.000 0.207 176 L C 3.061 179.947 176.870 0.028 0.000 1.078 176 L CA 1.007 55.859 54.840 0.020 0.000 0.749 176 L CB -0.384 41.631 42.059 -0.073 0.000 0.901 176 L HN 0.100 nan 8.230 nan 0.000 0.433 177 V N -0.548 119.422 119.914 0.093 0.000 2.343 177 V HA -0.223 3.897 4.120 0.001 0.000 0.247 177 V C 2.536 178.604 176.094 -0.044 0.000 1.051 177 V CA 1.775 64.171 62.300 0.161 0.000 1.036 177 V CB -1.468 30.561 31.823 0.343 0.000 0.654 177 V HN 0.598 nan 8.190 nan 0.000 0.451 178 G N -0.228 108.376 108.800 -0.328 0.000 2.459 178 G HA2 -0.254 3.707 3.960 0.001 0.000 0.217 178 G HA3 -0.254 3.707 3.960 0.001 0.000 0.217 178 G C 1.794 176.411 174.900 -0.471 0.000 1.183 178 G CA 1.131 45.665 45.100 -0.943 0.000 0.776 178 G HN 0.613 nan 8.290 nan 0.000 0.552 179 A N -0.074 122.610 122.820 -0.227 0.000 1.940 179 A HA -0.092 4.228 4.320 0.001 0.000 0.219 179 A C 2.240 179.773 177.584 -0.086 0.000 1.176 179 A CA 1.871 53.829 52.037 -0.132 0.000 0.631 179 A CB -0.698 18.271 19.000 -0.052 0.000 0.814 179 A HN 0.561 nan 8.150 nan 0.000 0.446 180 Y N 0.290 120.505 120.300 -0.142 0.000 2.242 180 Y HA 0.061 4.611 4.550 -0.000 0.000 0.291 180 Y C 0.921 176.762 175.900 -0.098 0.000 1.137 180 Y CA 0.679 58.724 58.100 -0.092 0.000 1.181 180 Y CB -0.253 38.178 38.460 -0.048 0.000 0.989 180 Y HN 0.215 nan 8.280 nan 0.000 0.527 196 H N 0.113 119.163 119.070 -0.034 0.000 2.495 196 H HA 0.101 4.658 4.556 0.001 0.000 0.287 196 H C -0.220 175.093 175.328 -0.026 0.000 1.033 196 H CA 0.846 56.878 56.048 -0.026 0.000 1.307 196 H CB 0.512 30.262 29.762 -0.019 0.000 1.401 196 H HN 0.198 nan 8.280 nan 0.000 0.555 197 N N 0.634 118.948 118.700 -0.643 0.000 2.725 197 N HA 0.131 4.871 4.740 0.001 0.000 0.248 197 N C 0.684 176.032 175.510 -0.271 0.000 1.402 197 N CA -0.215 52.582 53.050 -0.422 0.000 0.766 197 N CB 0.515 38.695 38.487 -0.512 0.000 1.223 197 N HN 0.176 nan 8.380 nan 0.000 0.515 198 L N 1.189 122.308 121.223 -0.173 0.000 2.083 198 L HA -0.012 4.328 4.340 0.001 0.000 0.209 198 L C -0.700 176.136 176.870 -0.055 0.000 1.083 198 L CA 1.254 56.021 54.840 -0.122 0.000 0.752 198 L CB -0.947 41.055 42.059 -0.096 0.000 0.899 198 L HN 0.299 nan 8.230 nan 0.000 0.433 199 P HA -0.232 nan 4.420 nan 0.000 0.216 199 P C 1.774 179.117 177.300 0.072 0.000 1.150 199 P CA 1.566 64.686 63.100 0.032 0.000 0.837 199 P CB 0.004 31.704 31.700 -0.000 0.000 0.786 200 M N -0.919 118.668 119.600 -0.022 0.000 2.132 200 M HA -0.116 4.364 4.480 0.001 0.000 0.263 200 M C 1.621 177.888 176.300 -0.054 0.000 1.065 200 M CA 1.708 56.986 55.300 -0.036 0.000 1.122 200 M CB -0.418 32.133 32.600 -0.082 0.000 1.365 200 M HN -0.245 nan 8.290 nan 0.000 0.411 201 V N 0.638 120.485 119.914 -0.112 0.000 2.343 201 V HA -0.281 3.839 4.120 0.001 0.000 0.247 201 V C 2.189 178.266 176.094 -0.029 0.000 1.051 201 V CA 2.100 64.285 62.300 -0.192 0.000 1.036 201 V CB -1.098 30.533 31.823 -0.321 0.000 0.654 201 V HN 0.615 nan 8.190 nan 0.000 0.451 202 F N 1.575 121.467 119.950 -0.097 0.000 2.102 202 F HA -0.201 4.326 4.527 0.001 0.000 0.298 202 F C 2.406 178.192 175.800 -0.024 0.000 1.105 202 F CA 2.286 60.253 58.000 -0.056 0.000 1.239 202 F CB -0.714 38.248 39.000 -0.064 0.000 0.991 202 F HN 0.115 nan 8.300 nan 0.000 0.474 203 T N 0.050 114.543 114.554 -0.102 0.000 2.746 203 T HA -0.123 4.227 4.350 0.001 0.000 0.267 203 T C 2.156 176.732 174.700 -0.207 0.000 1.039 203 T CA 1.493 63.481 62.100 -0.187 0.000 1.142 203 T CB -1.230 67.629 68.868 -0.016 0.000 0.866 203 T HN 0.479 nan 8.240 nan 0.000 0.444 204 G N 1.022 109.760 108.800 -0.102 0.000 2.402 204 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 204 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 204 G C 1.723 176.578 174.900 -0.074 0.000 1.162 204 G CA 1.366 46.430 45.100 -0.059 0.000 0.777 204 G HN 0.451 nan 8.290 nan 0.000 0.539 205 T N 1.738 116.280 114.554 -0.019 0.000 2.746 205 T HA -0.014 4.336 4.350 0.001 0.000 0.267 205 T C 2.818 177.406 174.700 -0.187 0.000 1.039 205 T CA 1.541 63.595 62.100 -0.078 0.000 1.142 205 T CB -0.381 68.460 68.868 -0.045 0.000 0.866 205 T HN 0.369 nan 8.240 nan 0.000 0.444 206 A N 1.094 123.702 122.820 -0.353 0.000 1.902 206 A HA -0.026 4.294 4.320 0.001 0.000 0.217 206 A C 2.295 179.816 177.584 -0.106 0.000 1.181 206 A CA 1.261 53.125 52.037 -0.288 0.000 0.623 206 A CB -0.776 17.906 19.000 -0.530 0.000 0.818 206 A HN 0.529 nan 8.150 nan 0.000 0.443 207 I N -0.572 119.862 120.570 -0.227 0.000 2.315 207 I HA -0.226 3.944 4.170 0.001 0.000 0.248 207 I C 2.354 178.293 176.117 -0.296 0.000 1.117 207 I CA 0.880 61.949 61.300 -0.386 0.000 1.404 207 I CB -0.269 37.325 38.000 -0.677 0.000 1.071 207 I HN 0.291 nan 8.210 nan 0.000 0.419 208 L N -0.492 120.617 121.223 -0.188 0.000 2.046 208 L HA -0.270 4.071 4.340 0.001 0.000 0.208 208 L C 2.685 179.632 176.870 0.128 0.000 1.077 208 L CA 1.524 56.318 54.840 -0.077 0.000 0.747 208 L CB -0.721 41.297 42.059 -0.067 0.000 0.896 208 L HN 0.255 nan 8.230 nan 0.000 0.432 209 Y N 0.624 120.902 120.300 -0.037 0.000 2.114 209 Y HA -0.284 4.266 4.550 0.001 0.000 0.284 209 Y C 2.454 178.411 175.900 0.095 0.000 1.143 209 Y CA 1.560 59.636 58.100 -0.040 0.000 1.135 209 Y CB -0.103 38.311 38.460 -0.077 0.000 0.980 209 Y HN -0.029 nan 8.280 nan 0.000 0.499 210 I N 0.323 120.947 120.570 0.090 0.000 2.179 210 I HA -0.206 3.964 4.170 0.001 0.000 0.242 210 I C 2.695 178.948 176.117 0.227 0.000 1.088 210 I CA 1.639 63.043 61.300 0.173 0.000 1.357 210 I CB -2.094 36.053 38.000 0.243 0.000 1.051 210 I HN 0.415 nan 8.210 nan 0.000 0.409 211 G N -0.426 108.466 108.800 0.153 0.000 2.448 211 G HA2 -0.259 3.702 3.960 0.001 0.000 0.219 211 G HA3 -0.259 3.702 3.960 0.001 0.000 0.219 211 G C 1.544 176.498 174.900 0.091 0.000 1.127 211 G CA -0.023 45.166 45.100 0.149 0.000 0.766 211 G HN 0.376 nan 8.290 nan 0.000 0.552 212 W N 0.592 121.773 121.300 -0.199 0.000 2.421 212 W HA 0.033 4.694 4.660 0.001 0.000 0.270 212 W C 1.672 178.020 176.519 -0.285 0.000 1.233 212 W CA 0.335 57.499 57.345 -0.301 0.000 1.226 212 W CB -0.333 28.836 29.460 -0.485 0.000 1.121 212 W HN 0.270 nan 8.180 nan 0.000 0.579 213 F N 0.043 120.020 119.950 0.044 0.000 2.234 213 F HA -0.048 4.479 4.527 0.001 0.000 0.299 213 F C 2.632 178.500 175.800 0.114 0.000 1.087 213 F CA 1.687 59.631 58.000 -0.095 0.000 1.340 213 F CB -1.218 37.545 39.000 -0.394 0.000 1.031 213 F HN -0.190 nan 8.300 nan 0.000 0.500 214 G N -0.797 108.174 108.800 0.285 0.000 2.402 214 G HA2 -0.274 3.687 3.960 0.001 0.000 0.216 214 G HA3 -0.274 3.687 3.960 0.001 0.000 0.216 214 G C 1.648 176.774 174.900 0.376 0.000 1.162 214 G CA 0.471 45.715 45.100 0.240 0.000 0.777 214 G HN 0.324 nan 8.290 nan 0.000 0.539 215 F N 1.941 121.956 119.950 0.108 0.000 2.046 215 F HA -0.120 4.408 4.527 0.000 0.000 0.297 215 F C 2.551 178.572 175.800 0.367 0.000 1.123 215 F CA 2.032 60.048 58.000 0.026 0.000 1.199 215 F CB -0.032 38.659 39.000 -0.516 0.000 0.972 215 F HN 0.055 nan 8.300 nan 0.000 0.474 216 N N 0.432 119.495 118.700 0.606 0.000 2.132 216 N HA -0.051 4.690 4.740 0.001 0.000 0.187 216 N C 1.892 177.705 175.510 0.505 0.000 1.038 216 N CA 1.609 54.999 53.050 0.566 0.000 0.846 216 N CB -1.071 37.705 38.487 0.482 0.000 1.012 216 N HN 0.362 nan 8.380 nan 0.000 0.429 217 A N 0.411 123.501 122.820 0.451 0.000 1.930 217 A HA 0.048 4.369 4.320 0.001 0.000 0.217 217 A C 2.256 180.118 177.584 0.463 0.000 1.175 217 A CA 1.775 54.130 52.037 0.529 0.000 0.627 217 A CB -1.154 18.273 19.000 0.711 0.000 0.815 217 A HN 0.361 nan 8.150 nan 0.000 0.443 218 G N -0.873 108.074 108.800 0.245 0.000 2.470 218 G HA2 -0.085 3.875 3.960 0.001 0.000 0.220 218 G HA3 -0.085 3.875 3.960 0.001 0.000 0.220 218 G C 1.543 176.299 174.900 -0.241 0.000 1.121 218 G CA 1.086 46.100 45.100 -0.143 0.000 0.766 218 G HN 0.467 nan 8.290 nan 0.000 0.553 219 S N 0.594 116.333 115.700 0.064 0.000 2.547 219 S HA 0.097 4.567 4.470 0.001 0.000 0.235 219 S C 2.480 176.799 174.600 -0.470 0.000 0.980 219 S CA 0.703 58.732 58.200 -0.286 0.000 0.941 219 S CB -0.063 62.886 63.200 -0.418 0.000 0.763 219 S HN 0.577 nan 8.310 nan 0.000 0.532 220 A N 0.632 123.423 122.820 -0.048 0.000 2.119 220 A HA 0.417 4.738 4.320 0.001 0.000 0.216 220 A C 1.896 179.452 177.584 -0.046 0.000 1.152 220 A CA 0.954 53.045 52.037 0.089 0.000 0.708 220 A CB -0.830 18.346 19.000 0.293 0.000 0.805 220 A HN 0.834 nan 8.150 nan 0.000 0.460 221 G N -1.933 106.783 108.800 -0.139 0.000 2.168 221 G HA2 -0.168 3.792 3.960 0.001 0.000 0.263 221 G HA3 -0.168 3.792 3.960 0.001 0.000 0.263 221 G C 0.410 175.283 174.900 -0.044 0.000 0.977 221 G CA 1.288 46.285 45.100 -0.171 0.000 0.659 221 G HN 1.687 nan 8.290 nan 0.000 0.533 222 T N -2.169 112.423 114.554 0.063 0.000 2.893 222 T HA 0.664 5.014 4.350 0.001 0.000 0.337 222 T C -0.247 174.420 174.700 -0.055 0.000 1.587 222 T CA 0.578 62.700 62.100 0.038 0.000 1.066 222 T CB 0.999 69.853 68.868 -0.024 0.000 1.414 222 T HN 1.706 nan 8.240 nan 0.000 0.488 223 A N 4.026 126.672 122.820 -0.289 0.000 3.091 223 A HA 0.483 4.804 4.320 0.001 0.000 0.264 223 A C 0.619 177.996 177.584 -0.345 0.000 1.673 223 A CA -0.448 51.167 52.037 -0.704 0.000 1.362 223 A CB -1.240 17.265 19.000 -0.826 0.000 1.137 223 A HN 0.791 nan 8.150 nan 0.000 0.617 224 N N -0.353 118.225 118.700 -0.202 0.000 2.938 224 N HA 0.132 4.872 4.740 0.001 0.000 0.335 224 N C 0.921 176.381 175.510 -0.084 0.000 1.358 224 N CA -0.092 52.889 53.050 -0.114 0.000 0.812 224 N CB 0.133 38.586 38.487 -0.056 0.000 1.233 224 N HN 0.215 nan 8.380 nan 0.000 0.593 225 E N -0.258 119.914 120.200 -0.047 0.000 2.274 225 E HA -0.089 4.261 4.350 0.001 0.000 0.194 225 E C 1.301 177.897 176.600 -0.008 0.000 0.996 225 E CA 0.741 57.123 56.400 -0.030 0.000 0.840 225 E CB -0.203 29.483 29.700 -0.023 0.000 0.772 225 E HN 0.545 nan 8.360 nan 0.000 0.491 226 I N 1.828 122.404 120.570 0.010 0.000 2.406 226 I HA -0.046 4.124 4.170 0.001 0.000 0.249 226 I C 2.632 178.789 176.117 0.067 0.000 1.122 226 I CA 1.003 62.313 61.300 0.016 0.000 1.431 226 I CB -1.501 36.539 38.000 0.067 0.000 1.087 226 I HN 0.125 nan 8.210 nan 0.000 0.424 227 A N 1.130 124.017 122.820 0.113 0.000 1.902 227 A HA -0.112 4.208 4.320 0.001 0.000 0.217 227 A C 2.581 180.289 177.584 0.208 0.000 1.181 227 A CA 1.986 54.149 52.037 0.211 0.000 0.623 227 A CB -0.785 18.279 19.000 0.108 0.000 0.818 227 A HN 0.384 nan 8.150 nan 0.000 0.443 228 A N -0.468 122.400 122.820 0.080 0.000 1.902 228 A HA -0.053 4.267 4.320 0.001 0.000 0.217 228 A C 2.155 179.817 177.584 0.130 0.000 1.181 228 A CA 1.786 53.866 52.037 0.071 0.000 0.623 228 A CB -0.647 18.338 19.000 -0.026 0.000 0.818 228 A HN 0.740 nan 8.150 nan 0.000 0.443 229 L N -0.227 121.038 121.223 0.071 0.000 2.017 229 L HA -0.053 4.287 4.340 0.001 0.000 0.208 229 L C 2.645 179.555 176.870 0.068 0.000 1.073 229 L CA 2.341 57.207 54.840 0.043 0.000 0.745 229 L CB -0.784 41.258 42.059 -0.029 0.000 0.894 229 L HN 0.323 nan 8.230 nan 0.000 0.432 230 A N -1.234 121.621 122.820 0.058 0.000 1.972 230 A HA -0.229 4.092 4.320 0.001 0.000 0.219 230 A C 2.228 179.948 177.584 0.226 0.000 1.169 230 A CA 1.719 53.800 52.037 0.074 0.000 0.635 230 A CB -1.097 17.962 19.000 0.100 0.000 0.810 230 A HN 0.536 nan 8.150 nan 0.000 0.446 231 F N 0.492 120.563 119.950 0.203 0.000 2.075 231 F HA -0.142 4.385 4.527 0.001 0.000 0.297 231 F C 2.362 178.328 175.800 0.277 0.000 1.113 231 F CA 1.962 60.152 58.000 0.317 0.000 1.218 231 F CB -0.380 38.768 39.000 0.247 0.000 0.984 231 F HN 0.031 nan 8.300 nan 0.000 0.472 232 V N 0.693 120.893 119.914 0.477 0.000 2.343 232 V HA -0.320 3.800 4.120 0.001 0.000 0.247 232 V C 2.150 178.363 176.094 0.198 0.000 1.051 232 V CA 2.080 64.572 62.300 0.320 0.000 1.036 232 V CB -0.837 31.097 31.823 0.186 0.000 0.654 232 V HN 0.345 nan 8.190 nan 0.000 0.451 233 N N 0.029 118.807 118.700 0.131 0.000 2.205 233 N HA -0.136 4.605 4.740 0.001 0.000 0.186 233 N C 1.872 177.400 175.510 0.031 0.000 1.015 233 N CA 1.842 54.926 53.050 0.057 0.000 0.862 233 N CB -0.479 38.020 38.487 0.019 0.000 0.986 233 N HN 0.478 nan 8.380 nan 0.000 0.429 234 T N 0.452 115.025 114.554 0.033 0.000 2.770 234 T HA -0.012 4.338 4.350 0.001 0.000 0.263 234 T C 2.165 176.860 174.700 -0.009 0.000 1.039 234 T CA 0.673 62.702 62.100 -0.118 0.000 1.142 234 T CB -0.258 68.386 68.868 -0.374 0.000 0.868 234 T HN -0.045 nan 8.240 nan 0.000 0.435 235 V N 1.406 121.452 119.914 0.218 0.000 2.287 235 V HA -0.159 3.962 4.120 0.001 0.000 0.248 235 V C 2.661 178.856 176.094 0.168 0.000 1.053 235 V CA 1.456 63.952 62.300 0.327 0.000 1.027 235 V CB -0.692 31.343 31.823 0.353 0.000 0.646 235 V HN 0.311 nan 8.190 nan 0.000 0.447 236 V N 0.143 120.120 119.914 0.106 0.000 2.307 236 V HA -0.210 3.911 4.120 0.001 0.000 0.245 236 V C 2.677 178.769 176.094 -0.004 0.000 1.045 236 V CA 1.970 64.296 62.300 0.044 0.000 1.024 236 V CB -1.141 30.700 31.823 0.030 0.000 0.651 236 V HN 0.549 nan 8.190 nan 0.000 0.449 237 A N -0.095 122.708 122.820 -0.030 0.000 1.902 237 A HA -0.209 4.111 4.320 0.001 0.000 0.217 237 A C 2.400 179.931 177.584 -0.089 0.000 1.181 237 A CA 2.455 54.449 52.037 -0.072 0.000 0.623 237 A CB -1.019 17.925 19.000 -0.094 0.000 0.818 237 A HN 0.504 nan 8.150 nan 0.000 0.443 238 T N 0.475 114.970 114.554 -0.097 0.000 2.684 238 T HA -0.072 4.278 4.350 0.001 0.000 0.267 238 T C 2.222 176.862 174.700 -0.100 0.000 1.036 238 T CA 1.764 63.785 62.100 -0.131 0.000 1.148 238 T CB -0.499 68.327 68.868 -0.070 0.000 0.863 238 T HN 0.601 nan 8.240 nan 0.000 0.436 239 A N 1.437 124.228 122.820 -0.048 0.000 1.902 239 A HA 0.187 4.507 4.320 0.001 0.000 0.217 239 A C 2.659 180.225 177.584 -0.030 0.000 1.181 239 A CA 1.801 53.815 52.037 -0.039 0.000 0.623 239 A CB -1.119 17.880 19.000 -0.002 0.000 0.818 239 A HN 0.511 nan 8.150 nan 0.000 0.443 240 A N -0.246 122.556 122.820 -0.029 0.000 1.933 240 A HA 0.176 4.497 4.320 0.001 0.000 0.218 240 A C 2.448 180.031 177.584 -0.003 0.000 1.175 240 A CA 2.009 54.031 52.037 -0.024 0.000 0.628 240 A CB -0.853 18.122 19.000 -0.042 0.000 0.814 240 A HN 1.013 nan 8.150 nan 0.000 0.444 241 A N -0.259 122.555 122.820 -0.011 0.000 1.929 241 A HA 0.026 4.347 4.320 0.001 0.000 0.216 241 A C 2.093 179.728 177.584 0.085 0.000 1.176 241 A CA 1.259 53.317 52.037 0.034 0.000 0.628 241 A CB -0.505 18.487 19.000 -0.014 0.000 0.816 241 A HN 0.472 nan 8.150 nan 0.000 0.444 242 I N -0.154 120.424 120.570 0.013 0.000 2.142 242 I HA -0.280 3.891 4.170 0.001 0.000 0.240 242 I C 2.378 178.552 176.117 0.094 0.000 1.078 242 I CA 1.286 62.596 61.300 0.017 0.000 1.343 242 I CB -0.322 37.647 38.000 -0.053 0.000 1.046 242 I HN 0.301 nan 8.210 nan 0.000 0.405 243 L N 0.166 121.429 121.223 0.067 0.000 2.046 243 L HA -0.148 4.192 4.340 0.001 0.000 0.208 243 L C 2.689 179.656 176.870 0.162 0.000 1.077 243 L CA 1.589 56.481 54.840 0.087 0.000 0.747 243 L CB -1.322 40.754 42.059 0.028 0.000 0.896 243 L HN 0.335 nan 8.230 nan 0.000 0.432 244 G N -0.538 108.352 108.800 0.150 0.000 2.459 244 G HA2 -0.300 3.661 3.960 0.001 0.000 0.217 244 G HA3 -0.300 3.661 3.960 0.001 0.000 0.217 244 G C 1.359 176.426 174.900 0.277 0.000 1.183 244 G CA 0.438 45.650 45.100 0.187 0.000 0.776 244 G HN 0.419 nan 8.290 nan 0.000 0.552 245 W N 1.180 122.533 121.300 0.088 0.000 2.335 245 W HA -0.092 4.568 4.660 0.000 0.000 0.311 245 W C 2.244 178.824 176.519 0.102 0.000 1.213 245 W CA 1.019 58.414 57.345 0.083 0.000 1.274 245 W CB -0.428 29.056 29.460 0.039 0.000 1.148 245 W HN 0.117 nan 8.180 nan 0.000 0.498 246 I N 0.326 121.160 120.570 0.441 0.000 2.226 246 I HA -0.295 3.875 4.170 0.001 0.000 0.245 246 I C 2.456 178.753 176.117 0.300 0.000 1.100 246 I CA 1.523 63.019 61.300 0.326 0.000 1.374 246 I CB -1.803 36.320 38.000 0.204 0.000 1.057 246 I HN -0.077 nan 8.210 nan 0.000 0.413 247 F N 2.008 122.058 119.950 0.166 0.000 2.146 247 F HA -0.071 4.457 4.527 0.001 0.000 0.298 247 F C 2.383 178.337 175.800 0.257 0.000 1.096 247 F CA 1.672 59.775 58.000 0.172 0.000 1.275 247 F CB -0.772 38.277 39.000 0.082 0.000 1.008 247 F HN 0.025 nan 8.300 nan 0.000 0.480 248 G N -0.374 108.454 108.800 0.047 0.000 2.422 248 G HA2 -0.288 3.672 3.960 0.001 0.000 0.218 248 G HA3 -0.288 3.672 3.960 0.001 0.000 0.218 248 G C 1.573 176.396 174.900 -0.128 0.000 1.146 248 G CA 0.804 45.830 45.100 -0.123 0.000 0.769 248 G HN 0.499 nan 8.290 nan 0.000 0.547 249 E N -0.687 119.516 120.200 0.006 0.000 2.072 249 E HA -0.148 4.202 4.350 0.001 0.000 0.191 249 E C 2.046 178.666 176.600 0.033 0.000 0.985 249 E CA 0.871 57.304 56.400 0.054 0.000 0.801 249 E CB -0.277 29.560 29.700 0.228 0.000 0.750 249 E HN 0.612 nan 8.360 nan 0.000 0.452 250 W N 0.941 122.171 121.300 -0.117 0.000 2.363 250 W HA -0.116 4.544 4.660 0.001 0.000 0.296 250 W C 2.002 178.398 176.519 -0.205 0.000 1.212 250 W CA 2.030 59.298 57.345 -0.128 0.000 1.260 250 W CB -0.283 29.117 29.460 -0.099 0.000 1.131 250 W HN 0.120 nan 8.180 nan 0.000 0.530 251 A N 0.278 122.898 122.820 -0.333 0.000 1.897 251 A HA -0.081 4.239 4.320 0.001 0.000 0.215 251 A C 2.053 179.379 177.584 -0.429 0.000 1.181 251 A CA 1.676 53.364 52.037 -0.582 0.000 0.620 251 A CB -0.862 17.848 19.000 -0.483 0.000 0.821 251 A HN 0.392 nan 8.150 nan 0.000 0.443 252 L N -1.801 119.256 121.223 -0.277 0.000 2.162 252 L HA 0.033 4.373 4.340 0.001 0.000 0.205 252 L C 2.494 179.256 176.870 -0.180 0.000 1.086 252 L CA 0.942 55.666 54.840 -0.194 0.000 0.778 252 L CB -0.182 41.796 42.059 -0.135 0.000 0.928 252 L HN 0.248 nan 8.230 nan 0.000 0.446 253 R N -0.794 119.605 120.500 -0.168 0.000 2.397 253 R HA 0.218 4.558 4.340 0.001 0.000 0.241 253 R C 1.306 177.509 176.300 -0.162 0.000 0.914 253 R CA 0.571 56.597 56.100 -0.125 0.000 1.071 253 R CB 0.779 31.049 30.300 -0.050 0.000 1.116 253 R HN 0.374 nan 8.270 nan 0.000 0.524 254 G N 2.067 110.689 108.800 -0.297 0.000 2.253 254 G HA2 -0.347 3.613 3.960 0.001 0.000 0.251 254 G HA3 -0.347 3.613 3.960 0.001 0.000 0.251 254 G C 0.011 174.796 174.900 -0.192 0.000 0.998 254 G CA 0.759 45.648 45.100 -0.353 0.000 0.621 254 G HN 0.397 nan 8.290 nan 0.000 0.524 255 K N -0.261 120.121 120.400 -0.031 0.000 2.568 255 K HA 0.641 4.962 4.320 0.001 0.000 0.273 255 K C -3.433 173.253 176.600 0.144 0.000 0.951 255 K CA -1.777 54.586 56.287 0.128 0.000 0.854 255 K CB 2.983 35.530 32.500 0.078 0.000 1.424 255 K HN 0.066 nan 8.250 nan 0.000 0.427 256 P HA 0.118 nan 4.420 nan 0.000 0.276 256 P C -0.755 176.599 177.300 0.089 0.000 1.261 256 P CA -0.344 62.844 63.100 0.147 0.000 0.800 256 P CB 1.135 32.917 31.700 0.136 0.000 1.066 257 S N -0.572 115.173 115.700 0.074 0.000 2.618 257 S HA 0.296 4.766 4.470 0.001 0.000 0.277 257 S C 0.619 175.215 174.600 -0.006 0.000 1.138 257 S CA -0.688 57.530 58.200 0.030 0.000 0.844 257 S CB 1.015 64.238 63.200 0.038 0.000 1.127 257 S HN 0.252 nan 8.310 nan 0.000 0.474 258 L N 1.117 122.319 121.223 -0.035 0.000 2.056 258 L HA 0.149 4.490 4.340 0.001 0.000 0.207 258 L C 2.064 178.892 176.870 -0.070 0.000 1.078 258 L CA 1.712 56.518 54.840 -0.057 0.000 0.749 258 L CB -1.081 40.932 42.059 -0.075 0.000 0.901 258 L HN 0.835 nan 8.230 nan 0.000 0.433 259 L N -0.139 121.039 121.223 -0.075 0.000 2.083 259 L HA -0.015 4.325 4.340 0.001 0.000 0.209 259 L C 2.292 179.041 176.870 -0.202 0.000 1.083 259 L CA 2.017 56.789 54.840 -0.114 0.000 0.752 259 L CB -1.466 40.545 42.059 -0.081 0.000 0.899 259 L HN 0.324 nan 8.230 nan 0.000 0.433 260 G N -1.152 107.560 108.800 -0.146 0.000 2.421 260 G HA2 -0.234 3.727 3.960 0.001 0.000 0.216 260 G HA3 -0.234 3.727 3.960 0.001 0.000 0.216 260 G C 1.615 176.173 174.900 -0.569 0.000 1.171 260 G CA 0.841 45.764 45.100 -0.296 0.000 0.775 260 G HN 0.619 nan 8.290 nan 0.000 0.543 261 A N 0.122 122.800 122.820 -0.237 0.000 1.883 261 A HA -0.113 4.208 4.320 0.001 0.000 0.217 261 A C 2.607 180.043 177.584 -0.246 0.000 1.186 261 A CA 1.916 53.845 52.037 -0.181 0.000 0.624 261 A CB -1.092 17.867 19.000 -0.069 0.000 0.822 261 A HN 0.435 nan 8.150 nan 0.000 0.444 262 C N -0.654 118.528 119.300 -0.197 0.000 2.429 262 C HA -0.054 4.406 4.460 0.001 0.000 0.277 262 C C 3.267 178.083 174.990 -0.290 0.000 1.262 262 C CA 1.259 60.187 59.018 -0.150 0.000 1.733 262 C CB -1.311 26.418 27.740 -0.018 0.000 2.010 262 C HN 0.622 nan 8.230 nan 0.000 0.483 263 S N 0.782 116.159 115.700 -0.539 0.000 2.368 263 S HA -0.064 4.407 4.470 0.001 0.000 0.225 263 S C 2.110 176.146 174.600 -0.941 0.000 1.030 263 S CA 1.509 59.206 58.200 -0.837 0.000 0.999 263 S CB -0.718 61.663 63.200 -1.365 0.000 0.844 263 S HN 0.763 nan 8.310 nan 0.000 0.459 264 G N 1.503 109.713 108.800 -0.984 0.000 2.418 264 G HA2 -0.091 3.869 3.960 0.001 0.000 0.217 264 G HA3 -0.091 3.869 3.960 0.001 0.000 0.217 264 G C 1.579 176.356 174.900 -0.204 0.000 1.158 264 G CA 0.943 45.879 45.100 -0.274 0.000 0.771 264 G HN 0.578 nan 8.290 nan 0.000 0.545 265 A N 1.011 123.666 122.820 -0.274 0.000 1.883 265 A HA -0.018 4.302 4.320 0.001 0.000 0.217 265 A C 2.339 179.712 177.584 -0.352 0.000 1.186 265 A CA 1.543 53.410 52.037 -0.283 0.000 0.624 265 A CB -0.306 18.515 19.000 -0.300 0.000 0.822 265 A HN 0.287 nan 8.150 nan 0.000 0.444 266 I N -0.027 120.324 120.570 -0.364 0.000 2.315 266 I HA -0.217 3.953 4.170 0.001 0.000 0.248 266 I C 2.922 178.775 176.117 -0.439 0.000 1.117 266 I CA 1.332 62.365 61.300 -0.446 0.000 1.404 266 I CB -1.715 36.047 38.000 -0.398 0.000 1.071 266 I HN 0.366 nan 8.210 nan 0.000 0.419 267 A N 1.150 123.811 122.820 -0.264 0.000 1.883 267 A HA -0.123 4.198 4.320 0.001 0.000 0.217 267 A C 2.523 179.991 177.584 -0.193 0.000 1.186 267 A CA 2.011 53.966 52.037 -0.137 0.000 0.624 267 A CB -1.338 17.754 19.000 0.152 0.000 0.822 267 A HN 0.424 nan 8.150 nan 0.000 0.444 268 G N -0.503 108.175 108.800 -0.204 0.000 2.408 268 G HA2 -0.089 3.871 3.960 0.001 0.000 0.217 268 G HA3 -0.089 3.871 3.960 0.001 0.000 0.217 268 G C 1.565 176.256 174.900 -0.347 0.000 1.150 268 G CA 0.934 45.908 45.100 -0.210 0.000 0.776 268 G HN 0.419 nan 8.290 nan 0.000 0.542 269 L N 0.125 120.993 121.223 -0.591 0.000 2.046 269 L HA -0.075 4.265 4.340 0.001 0.000 0.208 269 L C 2.985 179.372 176.870 -0.804 0.000 1.077 269 L CA 0.507 54.706 54.840 -1.068 0.000 0.747 269 L CB -0.385 40.519 42.059 -1.925 0.000 0.896 269 L HN 0.091 nan 8.230 nan 0.000 0.432 270 V N -0.112 119.433 119.914 -0.615 0.000 2.307 270 V HA -0.184 3.937 4.120 0.001 0.000 0.245 270 V C 2.583 178.581 176.094 -0.160 0.000 1.045 270 V CA 1.985 64.025 62.300 -0.434 0.000 1.024 270 V CB -1.125 30.333 31.823 -0.608 0.000 0.651 270 V HN 0.565 nan 8.190 nan 0.000 0.449 271 G N -0.970 107.740 108.800 -0.149 0.000 2.422 271 G HA2 -0.215 3.745 3.960 0.001 0.000 0.218 271 G HA3 -0.215 3.745 3.960 0.001 0.000 0.218 271 G C 1.679 176.595 174.900 0.027 0.000 1.146 271 G CA 1.179 46.257 45.100 -0.038 0.000 0.769 271 G HN 0.391 nan 8.290 nan 0.000 0.547 272 V N 0.497 120.402 119.914 -0.015 0.000 3.306 272 V HA -0.018 4.102 4.120 0.001 0.000 0.264 272 V C 2.863 179.070 176.094 0.189 0.000 1.149 272 V CA 1.978 64.304 62.300 0.044 0.000 1.143 272 V CB -0.444 31.354 31.823 -0.041 0.000 0.767 272 V HN 0.375 nan 8.190 nan 0.000 0.476 273 T N 2.021 116.752 114.554 0.296 0.000 2.597 273 T HA -0.130 4.221 4.350 0.001 0.000 0.267 273 T C -0.218 174.816 174.700 0.558 0.000 1.053 273 T CA 2.382 64.830 62.100 0.581 0.000 1.165 273 T CB -1.176 68.212 68.868 0.867 0.000 0.863 273 T HN 0.548 nan 8.240 nan 0.000 0.427 274 P HA 0.190 nan 4.420 nan 0.000 0.229 274 P C 0.859 178.464 177.300 0.507 0.000 1.160 274 P CA 0.907 64.307 63.100 0.500 0.000 0.777 274 P CB -0.005 31.931 31.700 0.394 0.000 0.814 275 A N -0.044 123.000 122.820 0.372 0.000 2.115 275 A HA -0.003 4.317 4.320 0.001 0.000 0.211 275 A C 2.380 180.049 177.584 0.141 0.000 1.169 275 A CA 0.753 52.980 52.037 0.317 0.000 0.787 275 A CB -1.666 17.471 19.000 0.228 0.000 0.858 275 A HN 0.377 nan 8.150 nan 0.000 0.474 276 C N -0.982 118.366 119.300 0.081 0.000 2.385 276 C HA -0.078 4.382 4.460 0.001 0.000 0.275 276 C C 2.406 177.159 174.990 -0.395 0.000 1.199 276 C CA 0.961 59.939 59.018 -0.067 0.000 1.782 276 C CB -1.744 26.034 27.740 0.063 0.000 2.068 276 C HN 0.532 nan 8.230 nan 0.000 0.471 277 G N -2.325 105.821 108.800 -1.090 0.000 3.141 277 G HA2 0.320 4.280 3.960 0.001 0.000 0.218 277 G HA3 0.320 4.280 3.960 0.001 0.000 0.218 277 G C 0.802 175.121 174.900 -0.968 0.000 1.170 277 G CA 0.379 44.484 45.100 -1.658 0.000 0.769 277 G HN 0.682 nan 8.290 nan 0.000 0.546 278 Y N -0.130 120.014 120.300 -0.259 0.000 2.423 278 Y HA 0.361 4.911 4.550 0.001 0.000 0.257 278 Y C 1.262 177.135 175.900 -0.045 0.000 1.087 278 Y CA -1.499 56.552 58.100 -0.082 0.000 1.258 278 Y CB 0.240 38.717 38.460 0.027 0.000 1.237 278 Y HN 0.216 nan 8.280 nan 0.000 0.517 279 I N -1.701 118.930 120.570 0.102 0.000 3.062 279 I HA 0.876 5.047 4.170 0.001 0.000 0.316 279 I C 0.678 176.819 176.117 0.040 0.000 1.041 279 I CA -1.140 60.216 61.300 0.094 0.000 1.069 279 I CB 1.172 39.242 38.000 0.116 0.000 1.300 279 I HN 0.001 nan 8.210 nan 0.000 0.518 280 G N 0.643 109.474 108.800 0.051 0.000 2.522 280 G HA2 0.413 4.374 3.960 0.001 0.000 0.304 280 G HA3 0.413 4.374 3.960 0.001 0.000 0.304 280 G C 0.854 175.757 174.900 0.006 0.000 1.210 280 G CA -0.175 44.942 45.100 0.028 0.000 0.960 280 G HN 0.904 nan 8.290 nan 0.000 0.497 281 V N -1.164 118.752 119.914 0.004 0.000 2.594 281 V HA 0.004 4.124 4.120 0.001 0.000 0.253 281 V C 2.455 178.529 176.094 -0.035 0.000 1.069 281 V CA 2.237 64.532 62.300 -0.007 0.000 1.082 281 V CB -1.159 30.669 31.823 0.008 0.000 0.680 281 V HN 0.738 nan 8.190 nan 0.000 0.469 282 G N 0.783 109.566 108.800 -0.028 0.000 2.402 282 G HA2 -0.044 3.916 3.960 0.001 0.000 0.216 282 G HA3 -0.044 3.916 3.960 0.001 0.000 0.216 282 G C 1.554 176.362 174.900 -0.154 0.000 1.162 282 G CA 0.788 45.859 45.100 -0.048 0.000 0.777 282 G HN 0.734 nan 8.290 nan 0.000 0.539 283 G N 1.038 109.733 108.800 -0.176 0.000 2.422 283 G HA2 0.064 4.024 3.960 0.001 0.000 0.218 283 G HA3 0.064 4.024 3.960 0.001 0.000 0.218 283 G C 2.021 176.666 174.900 -0.425 0.000 1.146 283 G CA 1.480 46.268 45.100 -0.520 0.000 0.769 283 G HN 0.626 nan 8.290 nan 0.000 0.547 284 A N 0.387 123.092 122.820 -0.192 0.000 1.930 284 A HA 0.112 4.433 4.320 0.001 0.000 0.217 284 A C 2.363 179.861 177.584 -0.142 0.000 1.175 284 A CA 1.390 53.348 52.037 -0.131 0.000 0.627 284 A CB -0.397 18.568 19.000 -0.058 0.000 0.815 284 A HN 0.391 nan 8.150 nan 0.000 0.443 285 L N -0.513 120.627 121.223 -0.138 0.000 2.046 285 L HA -0.133 4.207 4.340 0.001 0.000 0.208 285 L C 2.360 179.141 176.870 -0.148 0.000 1.077 285 L CA 1.502 56.274 54.840 -0.113 0.000 0.747 285 L CB -0.219 41.789 42.059 -0.085 0.000 0.896 285 L HN 0.428 nan 8.230 nan 0.000 0.432 286 I N -0.480 119.946 120.570 -0.241 0.000 2.252 286 I HA -0.328 3.843 4.170 0.001 0.000 0.245 286 I C 2.334 178.314 176.117 -0.228 0.000 1.102 286 I CA 1.393 62.536 61.300 -0.261 0.000 1.385 286 I CB -0.201 37.544 38.000 -0.425 0.000 1.064 286 I HN 0.222 nan 8.210 nan 0.000 0.414 287 I N 0.579 120.978 120.570 -0.285 0.000 2.226 287 I HA -0.220 3.951 4.170 0.001 0.000 0.245 287 I C 2.669 178.732 176.117 -0.090 0.000 1.100 287 I CA 1.627 62.833 61.300 -0.155 0.000 1.374 287 I CB -0.870 37.053 38.000 -0.129 0.000 1.057 287 I HN 0.279 nan 8.210 nan 0.000 0.413 288 G N 0.483 109.226 108.800 -0.096 0.000 2.459 288 G HA2 -0.210 3.751 3.960 0.001 0.000 0.217 288 G HA3 -0.210 3.751 3.960 0.001 0.000 0.217 288 G C 1.709 176.589 174.900 -0.033 0.000 1.183 288 G CA 0.988 46.048 45.100 -0.067 0.000 0.776 288 G HN 0.233 nan 8.290 nan 0.000 0.552 289 V N 0.432 120.323 119.914 -0.038 0.000 2.295 289 V HA -0.187 3.934 4.120 0.001 0.000 0.246 289 V C 3.068 179.165 176.094 0.005 0.000 1.049 289 V CA 1.648 63.942 62.300 -0.010 0.000 1.024 289 V CB -0.504 31.299 31.823 -0.032 0.000 0.648 289 V HN 0.248 nan 8.190 nan 0.000 0.447 290 V N 0.221 120.127 119.914 -0.015 0.000 2.343 290 V HA -0.263 3.857 4.120 0.001 0.000 0.247 290 V C 2.686 178.781 176.094 0.002 0.000 1.051 290 V CA 2.059 64.355 62.300 -0.007 0.000 1.036 290 V CB -1.149 30.670 31.823 -0.007 0.000 0.654 290 V HN 0.567 nan 8.190 nan 0.000 0.451 291 A N 0.460 123.281 122.820 0.002 0.000 1.902 291 A HA -0.080 4.240 4.320 0.001 0.000 0.217 291 A C 2.424 180.048 177.584 0.068 0.000 1.181 291 A CA 1.939 53.985 52.037 0.015 0.000 0.623 291 A CB -1.223 17.767 19.000 -0.016 0.000 0.818 291 A HN 0.524 nan 8.150 nan 0.000 0.443 292 G N -0.132 108.725 108.800 0.095 0.000 2.421 292 G HA2 -0.161 3.800 3.960 0.001 0.000 0.216 292 G HA3 -0.161 3.800 3.960 0.001 0.000 0.216 292 G C 1.562 176.522 174.900 0.099 0.000 1.171 292 G CA 1.089 46.322 45.100 0.222 0.000 0.775 292 G HN 0.433 nan 8.290 nan 0.000 0.543 293 L N 0.619 121.859 121.223 0.029 0.000 2.056 293 L HA 0.016 4.357 4.340 0.001 0.000 0.207 293 L C 3.404 180.243 176.870 -0.053 0.000 1.078 293 L CA 0.946 55.762 54.840 -0.041 0.000 0.749 293 L CB -0.418 41.650 42.059 0.015 0.000 0.901 293 L HN 0.294 nan 8.230 nan 0.000 0.433 294 A N 0.465 123.282 122.820 -0.005 0.000 1.902 294 A HA -0.117 4.203 4.320 0.001 0.000 0.217 294 A C 2.423 180.075 177.584 0.112 0.000 1.181 294 A CA 1.718 53.783 52.037 0.046 0.000 0.623 294 A CB -1.327 17.676 19.000 0.006 0.000 0.818 294 A HN 0.427 nan 8.150 nan 0.000 0.443 295 G N -0.024 108.804 108.800 0.046 0.000 2.446 295 G HA2 -0.206 3.754 3.960 0.001 0.000 0.217 295 G HA3 -0.206 3.754 3.960 0.001 0.000 0.217 295 G C 1.508 176.222 174.900 -0.310 0.000 1.168 295 G CA 1.329 46.481 45.100 0.088 0.000 0.771 295 G HN 0.550 nan 8.290 nan 0.000 0.551 296 L N -0.447 120.210 121.223 -0.944 0.000 2.046 296 L HA 0.027 4.367 4.340 0.001 0.000 0.208 296 L C 2.455 179.082 176.870 -0.404 0.000 1.077 296 L CA 1.942 56.044 54.840 -1.229 0.000 0.747 296 L CB -0.773 40.450 42.059 -1.393 0.000 0.896 296 L HN 0.465 nan 8.230 nan 0.000 0.432 297 W N 0.493 121.594 121.300 -0.331 0.000 2.335 297 W HA -0.089 4.571 4.660 0.000 0.000 0.311 297 W C 2.235 178.698 176.519 -0.093 0.000 1.213 297 W CA 2.515 59.761 57.345 -0.164 0.000 1.274 297 W CB -0.864 28.533 29.460 -0.106 0.000 1.148 297 W HN 0.230 nan 8.180 nan 0.000 0.498 298 G N 0.835 109.701 108.800 0.110 0.000 2.545 298 G HA2 -0.390 3.570 3.960 0.001 0.000 0.217 298 G HA3 -0.390 3.570 3.960 0.001 0.000 0.217 298 G C 1.487 176.313 174.900 -0.124 0.000 1.218 298 G CA 2.658 47.753 45.100 -0.008 0.000 0.787 298 G HN 0.676 nan 8.290 nan 0.000 0.571 299 V N -1.111 118.795 119.914 -0.014 0.000 3.026 299 V HA -0.062 4.059 4.120 0.001 0.000 0.265 299 V C 2.360 178.417 176.094 -0.062 0.000 1.121 299 V CA 2.627 64.951 62.300 0.040 0.000 1.142 299 V CB -0.886 31.061 31.823 0.207 0.000 0.730 299 V HN 0.289 nan 8.190 nan 0.000 0.503 300 T N 0.591 115.030 114.554 -0.192 0.000 2.901 300 T HA 0.253 4.603 4.350 0.001 0.000 0.252 300 T C 1.041 175.570 174.700 -0.285 0.000 1.035 300 T CA 0.903 62.872 62.100 -0.218 0.000 1.142 300 T CB -0.181 68.545 68.868 -0.237 0.000 0.869 300 T HN 0.341 nan 8.240 nan 0.000 0.442 312 C N 0.169 119.572 119.300 0.171 0.000 4.617 312 C HA -0.074 4.387 4.460 0.001 0.000 0.260 312 C C 0.314 175.425 174.990 0.200 0.000 1.288 312 C CA 0.965 60.067 59.018 0.141 0.000 1.668 312 C CB -2.310 25.468 27.740 0.063 0.000 1.518 312 C HN 0.530 nan 8.230 nan 0.000 0.708 313 D N 0.491 121.044 120.400 0.254 0.000 2.504 313 D HA 0.161 4.801 4.640 0.001 0.000 0.243 313 D C 0.718 177.222 176.300 0.341 0.000 1.203 313 D CA 0.434 54.598 54.000 0.274 0.000 0.847 313 D CB 0.218 41.173 40.800 0.258 0.000 0.973 313 D HN 0.475 nan 8.370 nan 0.000 0.490 314 V N 0.636 120.751 119.914 0.334 0.000 2.248 314 V HA 0.122 4.243 4.120 0.001 0.000 0.309 314 V C 0.052 176.396 176.094 0.416 0.000 1.722 314 V CA 0.514 63.017 62.300 0.338 0.000 1.693 314 V CB -1.175 30.787 31.823 0.232 0.000 1.470 314 V HN 0.262 nan 8.190 nan 0.000 0.518 315 F N 1.250 121.348 119.950 0.247 0.000 1.696 315 F HA 0.139 4.667 4.527 0.002 0.000 0.389 315 F C 1.901 177.826 175.800 0.209 0.000 1.058 315 F CA 0.763 58.895 58.000 0.221 0.000 1.117 315 F CB -0.543 38.559 39.000 0.169 0.000 1.648 315 F HN 0.194 nan 8.300 nan 0.000 0.298 316 G N 0.959 109.964 108.800 0.342 0.000 2.503 316 G HA2 -0.193 3.767 3.960 0.001 0.000 0.221 316 G HA3 -0.193 3.767 3.960 0.001 0.000 0.221 316 G C 1.234 176.227 174.900 0.155 0.000 1.131 316 G CA 2.201 47.442 45.100 0.235 0.000 0.756 316 G HN 0.373 nan 8.290 nan 0.000 0.572 317 V N -1.067 118.944 119.914 0.161 0.000 2.735 317 V HA 0.079 4.199 4.120 0.001 0.000 0.234 317 V C 2.274 178.337 176.094 -0.051 0.000 1.121 317 V CA 0.810 63.159 62.300 0.083 0.000 1.160 317 V CB -0.635 31.232 31.823 0.074 0.000 0.908 317 V HN 0.346 nan 8.190 nan 0.000 0.495 318 H N 0.612 119.704 119.070 0.037 0.000 2.387 318 H HA -0.102 4.455 4.556 0.001 0.000 0.299 318 H C 2.263 177.574 175.328 -0.029 0.000 1.099 318 H CA 1.823 57.895 56.048 0.039 0.000 1.315 318 H CB -0.265 29.606 29.762 0.181 0.000 1.380 318 H HN 0.497 nan 8.280 nan 0.000 0.513 319 G N 0.325 109.042 108.800 -0.138 0.000 2.424 319 G HA2 -0.144 3.817 3.960 0.001 0.000 0.214 319 G HA3 -0.144 3.817 3.960 0.001 0.000 0.214 319 G C 1.959 176.516 174.900 -0.572 0.000 1.202 319 G CA 0.853 45.570 45.100 -0.637 0.000 0.793 319 G HN 0.220 nan 8.290 nan 0.000 0.534 320 V N 0.744 120.327 119.914 -0.552 0.000 2.261 320 V HA -0.224 3.896 4.120 0.001 0.000 0.246 320 V C 3.071 179.123 176.094 -0.070 0.000 1.047 320 V CA 1.915 64.099 62.300 -0.193 0.000 1.015 320 V CB -0.738 31.092 31.823 0.012 0.000 0.642 320 V HN 0.501 nan 8.190 nan 0.000 0.446 321 C N 0.711 119.974 119.300 -0.062 0.000 2.435 321 C HA 0.015 4.475 4.460 0.001 0.000 0.279 321 C C 2.886 177.866 174.990 -0.017 0.000 1.321 321 C CA 0.484 59.477 59.018 -0.041 0.000 1.752 321 C CB -1.704 25.986 27.740 -0.082 0.000 1.959 321 C HN 0.694 nan 8.230 nan 0.000 0.500 322 G N 0.735 109.535 108.800 -0.000 0.000 2.418 322 G HA2 -0.142 3.818 3.960 0.001 0.000 0.217 322 G HA3 -0.142 3.818 3.960 0.001 0.000 0.217 322 G C 1.471 176.437 174.900 0.109 0.000 1.158 322 G CA 0.702 45.866 45.100 0.108 0.000 0.771 322 G HN 0.528 nan 8.290 nan 0.000 0.545 323 I N 0.217 120.824 120.570 0.062 0.000 2.202 323 I HA -0.132 4.038 4.170 0.001 0.000 0.242 323 I C 2.778 178.937 176.117 0.069 0.000 1.091 323 I CA 0.376 61.721 61.300 0.074 0.000 1.368 323 I CB -0.276 37.760 38.000 0.060 0.000 1.058 323 I HN 0.017 nan 8.210 nan 0.000 0.410 324 V N 1.142 121.083 119.914 0.046 0.000 2.255 324 V HA -0.259 3.861 4.120 0.001 0.000 0.247 324 V C 2.627 178.769 176.094 0.079 0.000 1.051 324 V CA 2.360 64.688 62.300 0.046 0.000 1.018 324 V CB -1.471 30.364 31.823 0.020 0.000 0.641 324 V HN 0.582 nan 8.190 nan 0.000 0.445 325 G N -1.226 107.625 108.800 0.084 0.000 2.476 325 G HA2 -0.307 3.653 3.960 0.001 0.000 0.218 325 G HA3 -0.307 3.653 3.960 0.001 0.000 0.218 325 G C 1.749 176.747 174.900 0.163 0.000 1.164 325 G CA 1.458 46.631 45.100 0.121 0.000 0.768 325 G HN 0.544 nan 8.290 nan 0.000 0.560 326 C N 0.208 119.604 119.300 0.160 0.000 2.425 326 C HA 0.085 4.546 4.460 0.001 0.000 0.277 326 C C 2.858 177.932 174.990 0.140 0.000 1.280 326 C CA 0.433 59.549 59.018 0.164 0.000 1.744 326 C CB -0.963 26.865 27.740 0.147 0.000 1.989 326 C HN 0.471 nan 8.230 nan 0.000 0.491 327 I N 0.458 121.098 120.570 0.116 0.000 2.202 327 I HA -0.236 3.934 4.170 0.001 0.000 0.242 327 I C 2.518 178.715 176.117 0.134 0.000 1.091 327 I CA 1.645 63.005 61.300 0.100 0.000 1.368 327 I CB -0.412 37.633 38.000 0.074 0.000 1.058 327 I HN 0.305 nan 8.210 nan 0.000 0.410 328 M N -0.163 119.537 119.600 0.167 0.000 2.358 328 M HA -0.154 4.326 4.480 0.001 0.000 0.264 328 M C 2.145 178.629 176.300 0.306 0.000 1.064 328 M CA 1.478 56.932 55.300 0.257 0.000 1.093 328 M CB -0.666 32.093 32.600 0.264 0.000 1.401 328 M HN 0.246 nan 8.290 nan 0.000 0.440 329 T N 0.251 114.953 114.554 0.247 0.000 2.821 329 T HA -0.075 4.276 4.350 0.001 0.000 0.267 329 T C 1.784 176.630 174.700 0.243 0.000 1.046 329 T CA 1.526 63.782 62.100 0.259 0.000 1.139 329 T CB -0.509 68.516 68.868 0.262 0.000 0.871 329 T HN 0.649 nan 8.240 nan 0.000 0.454 330 G N 0.265 109.191 108.800 0.211 0.000 2.679 330 G HA2 0.036 3.996 3.960 0.001 0.000 0.212 330 G HA3 0.036 3.996 3.960 0.001 0.000 0.212 330 G C 1.287 176.359 174.900 0.286 0.000 1.137 330 G CA 0.246 45.485 45.100 0.231 0.000 0.787 330 G HN 0.477 nan 8.290 nan 0.000 0.534 331 I N -1.374 119.303 120.570 0.178 0.000 2.900 331 I HA 0.208 4.379 4.170 0.001 0.000 0.251 331 I C 1.734 177.752 176.117 -0.164 0.000 1.102 331 I CA 0.060 61.354 61.300 -0.010 0.000 1.457 331 I CB -0.029 37.831 38.000 -0.234 0.000 1.285 331 I HN -0.021 nan 8.210 nan 0.000 0.459 332 F N 1.495 121.494 119.950 0.082 0.000 2.546 332 F HA 0.005 4.533 4.527 0.001 0.000 0.298 332 F C 2.398 178.165 175.800 -0.055 0.000 1.120 332 F CA 0.799 58.810 58.000 0.019 0.000 1.456 332 F CB -0.607 38.414 39.000 0.035 0.000 1.088 332 F HN 0.011 nan 8.300 nan 0.000 0.572 333 A N 0.273 123.086 122.820 -0.011 0.000 2.119 333 A HA 0.304 4.624 4.320 0.001 0.000 0.217 333 A C 1.619 178.848 177.584 -0.591 0.000 1.153 333 A CA 0.551 52.471 52.037 -0.195 0.000 0.692 333 A CB -0.972 17.920 19.000 -0.179 0.000 0.799 333 A HN 0.151 nan 8.150 nan 0.000 0.458 334 A N -0.156 122.200 122.820 -0.773 0.000 2.540 334 A HA 0.372 4.692 4.320 0.001 0.000 0.239 334 A C 1.468 178.866 177.584 -0.310 0.000 1.061 334 A CA 0.449 52.040 52.037 -0.744 0.000 0.758 334 A CB 0.077 18.898 19.000 -0.300 0.000 0.991 334 A HN 0.352 nan 8.150 nan 0.000 0.502 335 S N 1.425 116.988 115.700 -0.228 0.000 2.359 335 S HA -0.187 4.284 4.470 0.001 0.000 0.224 335 S C 2.278 176.847 174.600 -0.051 0.000 1.035 335 S CA 1.909 60.049 58.200 -0.099 0.000 1.018 335 S CB -0.411 62.755 63.200 -0.056 0.000 0.876 335 S HN 1.095 nan 8.310 nan 0.000 0.448 336 S N 1.477 117.152 115.700 -0.041 0.000 2.440 336 S HA 0.021 4.491 4.470 0.001 0.000 0.238 336 S C 1.214 175.810 174.600 -0.006 0.000 1.010 336 S CA 0.808 59.000 58.200 -0.014 0.000 0.972 336 S CB -0.456 62.741 63.200 -0.004 0.000 0.774 336 S HN 0.449 nan 8.310 nan 0.000 0.501 337 L N 0.804 122.018 121.223 -0.015 0.000 2.872 337 L HA 0.431 4.771 4.340 0.001 0.000 0.245 337 L C 1.530 178.459 176.870 0.099 0.000 1.211 337 L CA 0.153 55.022 54.840 0.049 0.000 1.013 337 L CB -0.204 41.857 42.059 0.003 0.000 1.326 337 L HN 0.510 nan 8.230 nan 0.000 0.525 338 G N -0.032 108.792 108.800 0.041 0.000 2.159 338 G HA2 -0.235 3.726 3.960 0.001 0.000 0.256 338 G HA3 -0.235 3.726 3.960 0.001 0.000 0.256 338 G C 0.568 175.484 174.900 0.027 0.000 0.977 338 G CA -0.071 45.052 45.100 0.038 0.000 0.652 338 G HN 0.524 nan 8.290 nan 0.000 0.531 339 G N -0.945 107.857 108.800 0.004 0.000 2.588 339 G HA2 0.582 4.543 3.960 0.001 0.000 0.281 339 G HA3 0.582 4.543 3.960 0.001 0.000 0.281 339 G C 1.444 176.326 174.900 -0.031 0.000 1.236 339 G CA 0.739 45.833 45.100 -0.010 0.000 0.969 339 G HN 1.302 nan 8.290 nan 0.000 0.504 340 V N -2.332 117.580 119.914 -0.002 0.000 2.970 340 V HA 0.457 4.577 4.120 0.001 0.000 0.260 340 V C 1.189 177.269 176.094 -0.025 0.000 1.100 340 V CA 0.801 63.111 62.300 0.017 0.000 1.122 340 V CB -1.417 30.461 31.823 0.092 0.000 0.721 340 V HN 2.213 nan 8.190 nan 0.000 0.483 341 G N -0.524 108.196 108.800 -0.132 0.000 2.697 341 G HA2 -0.059 3.902 3.960 0.001 0.000 0.686 341 G HA3 -0.059 3.902 3.960 0.001 0.000 0.686 341 G C -0.810 173.988 174.900 -0.170 0.000 1.179 341 G CA -0.495 44.485 45.100 -0.199 0.000 0.765 341 G HN 0.370 nan 8.290 nan 0.000 0.649 342 F N 1.284 121.242 119.950 0.013 0.000 2.440 342 F HA 0.613 5.141 4.527 0.001 0.000 0.323 342 F C 1.486 177.289 175.800 0.004 0.000 1.192 342 F CA 0.513 58.511 58.000 -0.004 0.000 1.252 342 F CB 0.426 39.424 39.000 -0.003 0.000 1.214 342 F HN 0.952 nan 8.300 nan 0.000 0.578 343 A N 0.726 123.674 122.820 0.213 0.000 2.429 343 A HA 0.104 4.425 4.320 0.001 0.000 0.242 343 A C 0.221 177.860 177.584 0.091 0.000 1.088 343 A CA -0.533 51.574 52.037 0.115 0.000 0.784 343 A CB -0.246 18.802 19.000 0.080 0.000 1.038 343 A HN 0.766 nan 8.150 nan 0.000 0.501 344 E N -0.408 119.822 120.200 0.051 0.000 2.442 344 E HA 0.308 4.658 4.350 0.001 0.000 0.262 344 E C 1.139 177.736 176.600 -0.006 0.000 1.004 344 E CA 1.037 57.453 56.400 0.027 0.000 0.928 344 E CB 0.162 29.870 29.700 0.014 0.000 0.937 344 E HN 1.309 nan 8.360 nan 0.000 0.446 345 G N 1.777 110.566 108.800 -0.017 0.000 2.166 345 G HA2 -0.276 3.684 3.960 0.001 0.000 0.260 345 G HA3 -0.276 3.684 3.960 0.001 0.000 0.260 345 G C 0.040 174.866 174.900 -0.124 0.000 0.986 345 G CA 0.254 45.316 45.100 -0.064 0.000 0.683 345 G HN 0.364 nan 8.290 nan 0.000 0.527 346 V N 1.733 121.595 119.914 -0.086 0.000 2.409 346 V HA 0.667 4.787 4.120 0.001 0.000 0.291 346 V C 0.860 176.852 176.094 -0.169 0.000 1.020 346 V CA -0.106 62.097 62.300 -0.162 0.000 0.848 346 V CB 1.428 33.193 31.823 -0.097 0.000 0.990 346 V HN 0.666 nan 8.190 nan 0.000 0.430 347 T N 1.711 116.145 114.554 -0.201 0.000 2.847 347 T HA 0.340 4.690 4.350 0.001 0.000 0.279 347 T C 1.211 175.602 174.700 -0.515 0.000 0.984 347 T CA -0.436 61.538 62.100 -0.211 0.000 0.988 347 T CB 1.137 69.944 68.868 -0.102 0.000 1.040 347 T HN 0.553 nan 8.240 nan 0.000 0.528 348 M N 0.762 120.095 119.600 -0.446 0.000 2.213 348 M HA 0.043 4.524 4.480 0.001 0.000 0.263 348 M C 2.155 178.278 176.300 -0.295 0.000 1.062 348 M CA 2.116 57.106 55.300 -0.516 0.000 1.105 348 M CB -1.006 31.575 32.600 -0.032 0.000 1.385 348 M HN 0.934 nan 8.290 nan 0.000 0.417 349 G N -1.101 107.600 108.800 -0.165 0.000 2.421 349 G HA2 -0.312 3.649 3.960 0.001 0.000 0.216 349 G HA3 -0.312 3.649 3.960 0.001 0.000 0.216 349 G C 1.176 176.020 174.900 -0.094 0.000 1.171 349 G CA 1.413 46.455 45.100 -0.095 0.000 0.775 349 G HN 0.650 nan 8.290 nan 0.000 0.543 350 H N -0.227 118.734 119.070 -0.182 0.000 2.353 350 H HA -0.066 4.491 4.556 0.001 0.000 0.300 350 H C 2.602 177.829 175.328 -0.168 0.000 1.090 350 H CA 2.061 58.020 56.048 -0.149 0.000 1.327 350 H CB -0.019 29.657 29.762 -0.142 0.000 1.383 350 H HN 0.336 nan 8.280 nan 0.000 0.508 351 Q N 0.529 120.213 119.800 -0.193 0.000 2.050 351 Q HA -0.101 4.239 4.340 0.001 0.000 0.202 351 Q C 2.399 178.307 176.000 -0.154 0.000 0.980 351 Q CA 1.780 57.455 55.803 -0.213 0.000 0.840 351 Q CB -0.488 27.990 28.738 -0.432 0.000 0.898 351 Q HN 0.617 nan 8.270 nan 0.000 0.424 352 L N -0.428 120.709 121.223 -0.142 0.000 2.042 352 L HA -0.213 4.127 4.340 0.001 0.000 0.210 352 L C 2.234 179.052 176.870 -0.087 0.000 1.076 352 L CA 0.939 55.735 54.840 -0.074 0.000 0.749 352 L CB -0.540 41.485 42.059 -0.057 0.000 0.893 352 L HN 0.315 nan 8.230 nan 0.000 0.432 353 L N -0.801 120.339 121.223 -0.139 0.000 2.083 353 L HA -0.169 4.172 4.340 0.001 0.000 0.209 353 L C 2.304 179.079 176.870 -0.159 0.000 1.083 353 L CA 1.594 56.346 54.840 -0.148 0.000 0.752 353 L CB -0.302 41.643 42.059 -0.191 0.000 0.899 353 L HN -0.053 nan 8.230 nan 0.000 0.433 354 V N -0.704 119.082 119.914 -0.213 0.000 2.427 354 V HA -0.230 3.890 4.120 0.001 0.000 0.248 354 V C 2.620 178.673 176.094 -0.069 0.000 1.051 354 V CA 1.352 63.560 62.300 -0.153 0.000 1.048 354 V CB -0.627 31.106 31.823 -0.151 0.000 0.666 354 V HN 0.480 nan 8.190 nan 0.000 0.456 355 Q N -0.065 119.710 119.800 -0.042 0.000 2.050 355 Q HA -0.129 4.211 4.340 0.001 0.000 0.202 355 Q C 2.314 178.320 176.000 0.009 0.000 0.980 355 Q CA 1.647 57.455 55.803 0.007 0.000 0.840 355 Q CB -0.613 28.147 28.738 0.036 0.000 0.898 355 Q HN 0.530 nan 8.270 nan 0.000 0.424 356 L N 0.623 121.843 121.223 -0.006 0.000 2.042 356 L HA -0.216 4.125 4.340 0.001 0.000 0.210 356 L C 2.281 179.152 176.870 0.002 0.000 1.076 356 L CA 1.392 56.234 54.840 0.005 0.000 0.749 356 L CB -0.470 41.585 42.059 -0.007 0.000 0.893 356 L HN 0.291 nan 8.230 nan 0.000 0.432 357 E N -0.381 119.803 120.200 -0.028 0.000 2.110 357 E HA -0.157 4.194 4.350 0.001 0.000 0.193 357 E C 2.286 178.875 176.600 -0.018 0.000 0.988 357 E CA 1.365 57.745 56.400 -0.033 0.000 0.804 357 E CB -0.023 29.629 29.700 -0.079 0.000 0.745 357 E HN 0.377 nan 8.360 nan 0.000 0.458 358 S N 0.764 116.452 115.700 -0.020 0.000 2.368 358 S HA -0.091 4.379 4.470 0.001 0.000 0.224 358 S C 2.038 176.651 174.600 0.022 0.000 1.029 358 S CA 0.713 58.904 58.200 -0.015 0.000 0.988 358 S CB -0.108 63.081 63.200 -0.019 0.000 0.838 358 S HN 0.177 nan 8.310 nan 0.000 0.462 359 I N 1.814 122.412 120.570 0.046 0.000 2.202 359 I HA -0.192 3.978 4.170 0.001 0.000 0.242 359 I C 2.716 178.894 176.117 0.100 0.000 1.091 359 I CA 1.109 62.460 61.300 0.084 0.000 1.368 359 I CB -0.491 37.562 38.000 0.090 0.000 1.058 359 I HN 0.259 nan 8.210 nan 0.000 0.410 360 A N 0.972 123.840 122.820 0.080 0.000 1.877 360 A HA -0.192 4.129 4.320 0.001 0.000 0.216 360 A C 2.315 179.965 177.584 0.111 0.000 1.186 360 A CA 1.631 53.722 52.037 0.089 0.000 0.620 360 A CB -0.922 18.114 19.000 0.060 0.000 0.822 360 A HN 0.371 nan 8.150 nan 0.000 0.443 361 I N -0.378 120.253 120.570 0.100 0.000 2.226 361 I HA -0.240 3.930 4.170 0.001 0.000 0.245 361 I C 2.587 178.824 176.117 0.200 0.000 1.100 361 I CA 1.786 63.176 61.300 0.150 0.000 1.374 361 I CB -0.448 37.618 38.000 0.109 0.000 1.057 361 I HN 0.285 nan 8.210 nan 0.000 0.413 362 T N 0.896 115.531 114.554 0.135 0.000 2.737 362 T HA -0.110 4.240 4.350 0.001 0.000 0.265 362 T C 1.928 176.773 174.700 0.241 0.000 1.038 362 T CA 1.313 63.502 62.100 0.149 0.000 1.144 362 T CB -0.246 68.680 68.868 0.096 0.000 0.866 362 T HN 0.224 nan 8.240 nan 0.000 0.434 363 I N 0.749 121.452 120.570 0.223 0.000 2.179 363 I HA -0.168 4.002 4.170 0.001 0.000 0.242 363 I C 2.455 178.709 176.117 0.228 0.000 1.088 363 I CA 1.050 62.495 61.300 0.241 0.000 1.357 363 I CB -0.335 37.791 38.000 0.211 0.000 1.051 363 I HN 0.095 nan 8.210 nan 0.000 0.409 364 V N -0.075 119.958 119.914 0.199 0.000 2.323 364 V HA -0.270 3.850 4.120 0.001 0.000 0.244 364 V C 2.095 178.309 176.094 0.200 0.000 1.041 364 V CA 1.598 63.993 62.300 0.159 0.000 1.025 364 V CB -0.704 31.185 31.823 0.109 0.000 0.656 364 V HN 0.602 nan 8.190 nan 0.000 0.451 365 W N 0.697 122.044 121.300 0.079 0.000 2.335 365 W HA -0.231 4.431 4.660 0.004 0.000 0.311 365 W C 2.864 179.450 176.519 0.112 0.000 1.213 365 W CA 2.395 59.780 57.345 0.067 0.000 1.274 365 W CB -0.572 28.913 29.460 0.041 0.000 1.148 365 W HN 0.358 nan 8.180 nan 0.000 0.498 366 S N 0.032 116.030 115.700 0.497 0.000 2.368 366 S HA -0.076 4.395 4.470 0.001 0.000 0.224 366 S C 2.055 176.959 174.600 0.505 0.000 1.029 366 S CA 1.910 60.437 58.200 0.545 0.000 0.988 366 S CB -0.851 62.703 63.200 0.591 0.000 0.838 366 S HN 0.282 nan 8.310 nan 0.000 0.462 367 G N 0.865 109.881 108.800 0.359 0.000 2.421 367 G HA2 -0.141 3.819 3.960 0.001 0.000 0.216 367 G HA3 -0.141 3.819 3.960 0.001 0.000 0.216 367 G C 1.480 176.546 174.900 0.276 0.000 1.171 367 G CA 1.153 46.429 45.100 0.293 0.000 0.775 367 G HN 0.466 nan 8.290 nan 0.000 0.543 368 V N 0.426 120.442 119.914 0.170 0.000 2.295 368 V HA -0.156 3.964 4.120 0.001 0.000 0.246 368 V C 3.016 179.222 176.094 0.185 0.000 1.049 368 V CA 1.481 63.845 62.300 0.107 0.000 1.024 368 V CB -0.420 31.368 31.823 -0.059 0.000 0.648 368 V HN 0.239 nan 8.190 nan 0.000 0.447 369 V N 0.241 120.255 119.914 0.167 0.000 2.358 369 V HA -0.220 3.901 4.120 0.001 0.000 0.246 369 V C 2.704 179.019 176.094 0.368 0.000 1.047 369 V CA 1.913 64.330 62.300 0.195 0.000 1.035 369 V CB -1.058 30.846 31.823 0.134 0.000 0.658 369 V HN 0.549 nan 8.190 nan 0.000 0.452 370 A N -0.444 122.709 122.820 0.554 0.000 1.877 370 A HA -0.253 4.068 4.320 0.001 0.000 0.216 370 A C 2.117 179.994 177.584 0.489 0.000 1.186 370 A CA 2.048 54.442 52.037 0.594 0.000 0.620 370 A CB -0.767 18.605 19.000 0.620 0.000 0.822 370 A HN 0.500 nan 8.150 nan 0.000 0.443 371 F N 0.629 120.783 119.950 0.339 0.000 2.091 371 F HA -0.215 4.311 4.527 -0.001 0.000 0.299 371 F C 2.016 177.957 175.800 0.236 0.000 1.103 371 F CA 1.952 60.129 58.000 0.294 0.000 1.228 371 F CB -0.284 38.830 39.000 0.189 0.000 0.984 371 F HN 0.194 nan 8.300 nan 0.000 0.477 372 I N -0.056 120.690 120.570 0.293 0.000 2.163 372 I HA -0.281 3.889 4.170 0.001 0.000 0.243 372 I C 2.762 178.928 176.117 0.081 0.000 1.085 372 I CA 1.511 62.897 61.300 0.144 0.000 1.347 372 I CB -1.330 36.747 38.000 0.129 0.000 1.044 372 I HN 0.306 nan 8.210 nan 0.000 0.408 373 G N 0.033 108.905 108.800 0.120 0.000 2.459 373 G HA2 -0.275 3.686 3.960 0.001 0.000 0.217 373 G HA3 -0.275 3.686 3.960 0.001 0.000 0.217 373 G C 1.454 176.429 174.900 0.124 0.000 1.183 373 G CA 0.782 45.944 45.100 0.102 0.000 0.776 373 G HN 0.261 nan 8.290 nan 0.000 0.552 374 Y N 1.139 121.573 120.300 0.222 0.000 2.224 374 Y HA -0.005 4.545 4.550 -0.000 0.000 0.289 374 Y C 2.866 178.714 175.900 -0.086 0.000 1.146 374 Y CA 1.159 59.271 58.100 0.019 0.000 1.182 374 Y CB -0.064 38.334 38.460 -0.102 0.000 0.983 374 Y HN 0.035 nan 8.280 nan 0.000 0.524 375 K N -0.243 120.133 120.400 -0.040 0.000 2.057 375 K HA -0.134 4.186 4.320 0.001 0.000 0.206 375 K C 2.127 178.707 176.600 -0.033 0.000 1.050 375 K CA 0.848 57.053 56.287 -0.136 0.000 0.935 375 K CB -0.828 31.483 32.500 -0.315 0.000 0.715 375 K HN 0.275 nan 8.250 nan 0.000 0.439 376 L N 1.242 122.468 121.223 0.005 0.000 2.046 376 L HA -0.110 4.231 4.340 0.001 0.000 0.208 376 L C 2.200 179.093 176.870 0.039 0.000 1.077 376 L CA 1.890 56.744 54.840 0.023 0.000 0.747 376 L CB -0.753 41.323 42.059 0.030 0.000 0.896 376 L HN 0.122 nan 8.230 nan 0.000 0.432 377 A N -0.873 121.989 122.820 0.069 0.000 1.877 377 A HA -0.265 4.055 4.320 0.001 0.000 0.216 377 A C 2.135 179.752 177.584 0.054 0.000 1.186 377 A CA 1.823 53.910 52.037 0.083 0.000 0.620 377 A CB -1.054 18.028 19.000 0.137 0.000 0.822 377 A HN 0.527 nan 8.150 nan 0.000 0.443 378 D N -0.184 120.239 120.400 0.039 0.000 2.149 378 D HA -0.112 4.529 4.640 0.001 0.000 0.198 378 D C 1.695 177.996 176.300 0.002 0.000 0.990 378 D CA 1.091 55.096 54.000 0.008 0.000 0.839 378 D CB -0.181 40.606 40.800 -0.022 0.000 0.948 378 D HN 0.440 nan 8.370 nan 0.000 0.460 379 L N -0.697 120.528 121.223 0.003 0.000 2.418 379 L HA 0.021 4.362 4.340 0.001 0.000 0.218 379 L C 1.983 178.860 176.870 0.010 0.000 1.125 379 L CA 0.785 55.627 54.840 0.003 0.000 0.835 379 L CB -0.006 42.054 42.059 0.002 0.000 0.953 379 L HN 0.036 nan 8.230 nan 0.000 0.454 380 T N -1.393 113.172 114.554 0.018 0.000 3.004 380 T HA -0.012 4.339 4.350 0.001 0.000 0.243 380 T C 1.500 176.213 174.700 0.022 0.000 1.020 380 T CA 1.208 63.321 62.100 0.021 0.000 1.145 380 T CB 0.274 69.159 68.868 0.028 0.000 0.876 380 T HN 0.236 nan 8.240 nan 0.000 0.449 381 V N -2.066 117.865 119.914 0.029 0.000 3.548 381 V HA 0.703 4.823 4.120 0.001 0.000 0.279 381 V C 0.714 176.823 176.094 0.025 0.000 1.446 381 V CA 0.227 62.545 62.300 0.030 0.000 1.023 381 V CB -0.291 31.558 31.823 0.044 0.000 0.820 381 V HN 0.657 nan 8.190 nan 0.000 0.438 382 G N 0.469 109.282 108.800 0.021 0.000 3.039 382 G HA2 -0.124 3.836 3.960 0.001 0.000 0.686 382 G HA3 -0.124 3.836 3.960 0.001 0.000 0.686 382 G C -0.274 174.635 174.900 0.014 0.000 1.066 382 G CA -0.049 45.056 45.100 0.009 0.000 0.774 382 G HN 0.319 nan 8.290 nan 0.000 0.591 383 L N 1.559 122.781 121.223 -0.002 0.000 2.049 383 L HA 0.135 4.475 4.340 0.001 0.000 0.203 383 L C 2.186 179.039 176.870 -0.028 0.000 1.074 383 L CA 0.730 55.564 54.840 -0.009 0.000 0.749 383 L CB -0.245 41.788 42.059 -0.043 0.000 0.907 383 L HN 0.590 nan 8.230 nan 0.000 0.439 384 R N 1.038 121.512 120.500 -0.045 0.000 2.480 384 R HA 0.036 4.376 4.340 0.001 0.000 0.303 384 R C -0.159 176.126 176.300 -0.026 0.000 0.985 384 R CA -0.216 55.855 56.100 -0.048 0.000 1.051 384 R CB 0.410 30.677 30.300 -0.054 0.000 0.935 384 R HN 0.019 nan 8.270 nan 0.000 0.410 385 V N 6.212 126.111 119.914 -0.026 0.000 2.617 385 V HA 0.045 4.166 4.120 0.001 0.000 0.304 385 V C -1.201 174.889 176.094 -0.006 0.000 1.040 385 V CA -1.191 61.104 62.300 -0.007 0.000 1.149 385 V CB 0.215 32.031 31.823 -0.012 0.000 0.914 385 V HN 0.729 nan 8.190 nan 0.000 0.487 386 P HA 0.000 nan 4.420 nan 0.000 0.216 386 P CA 0.000 63.101 63.100 0.002 0.000 0.800 386 P CB 0.000 31.706 31.700 0.009 0.000 0.726