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 3c1i_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 IXXXXXXXXX XXXPHNLPMV DATA SEQUENCE FTGTAILYIG WFGANAGSAG TANEIAALAF VNTVVATAAA ILGWIFGEWA DATA SEQUENCE LRGKPSLLGA CSGAIAGLVG VTPACGYIGV GGALIIGVVA GLAGLWGVTM DATA SEQUENCE XXXXXXXDDP 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 0.000 177.296 177.300 -0.006 0.000 1.155 2 P CA 0.000 63.102 63.100 0.004 0.000 0.800 2 P CB 0.000 31.701 31.700 0.002 0.000 0.726 3 A N 0.481 123.296 122.820 -0.008 0.000 2.545 3 A HA 0.420 4.740 4.320 -0.000 0.000 0.253 3 A C 0.291 177.847 177.584 -0.046 0.000 1.074 3 A CA 0.353 52.374 52.037 -0.026 0.000 0.760 3 A CB 0.340 19.326 19.000 -0.023 0.000 1.005 3 A HN 0.187 nan 8.150 nan 0.000 0.506 4 V N 3.337 123.211 119.914 -0.067 0.000 2.384 4 V HA 0.513 4.633 4.120 -0.000 0.000 0.287 4 V C 0.782 176.777 176.094 -0.165 0.000 1.020 4 V CA -0.213 62.032 62.300 -0.091 0.000 0.850 4 V CB 1.312 33.100 31.823 -0.058 0.000 0.987 4 V HN 1.145 nan 8.190 nan 0.000 0.436 5 A N 3.933 126.576 122.820 -0.294 0.000 2.440 5 A HA 0.312 4.632 4.320 -0.000 0.000 0.251 5 A C 0.124 177.534 177.584 -0.290 0.000 1.089 5 A CA -0.099 51.650 52.037 -0.480 0.000 0.779 5 A CB 0.124 18.352 19.000 -1.287 0.000 1.022 5 A HN 0.832 nan 8.150 nan 0.000 0.492 6 D N 2.424 122.697 120.400 -0.211 0.000 2.329 6 D HA 0.185 4.825 4.640 -0.000 0.000 0.232 6 D C 0.698 176.950 176.300 -0.079 0.000 1.088 6 D CA -0.352 53.581 54.000 -0.113 0.000 0.835 6 D CB 0.833 41.580 40.800 -0.088 0.000 1.078 6 D HN 0.561 nan 8.370 nan 0.000 0.495 7 K N 2.268 122.647 120.400 -0.035 0.000 2.113 7 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 7 K C 1.845 178.456 176.600 0.019 0.000 1.047 7 K CA 1.365 57.661 56.287 0.014 0.000 0.928 7 K CB 0.080 32.598 32.500 0.031 0.000 0.716 7 K HN 0.464 nan 8.250 nan 0.000 0.446 8 A N 2.029 124.849 122.820 0.000 0.000 1.883 8 A HA -0.226 4.093 4.320 -0.000 0.000 0.217 8 A C 1.659 179.264 177.584 0.034 0.000 1.186 8 A CA 1.996 54.036 52.037 0.005 0.000 0.624 8 A CB -0.419 18.563 19.000 -0.030 0.000 0.822 8 A HN 0.188 nan 8.150 nan 0.000 0.444 9 D N 0.149 120.557 120.400 0.013 0.000 2.097 9 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 9 D C 1.699 178.047 176.300 0.080 0.000 0.984 9 D CA 1.154 55.185 54.000 0.052 0.000 0.826 9 D CB -0.506 40.288 40.800 -0.009 0.000 0.973 9 D HN 0.357 nan 8.370 nan 0.000 0.460 10 N N 1.133 119.856 118.700 0.039 0.000 2.060 10 N HA -0.197 4.543 4.740 -0.000 0.000 0.195 10 N C 1.777 177.341 175.510 0.090 0.000 1.028 10 N CA 1.644 54.737 53.050 0.072 0.000 0.861 10 N CB -0.478 38.074 38.487 0.109 0.000 1.029 10 N HN 0.169 nan 8.380 nan 0.000 0.428 11 A N 0.517 123.396 122.820 0.097 0.000 1.877 11 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 11 A C 2.164 179.831 177.584 0.139 0.000 1.186 11 A CA 1.085 53.183 52.037 0.101 0.000 0.620 11 A CB -0.940 18.113 19.000 0.089 0.000 0.822 11 A HN 0.284 nan 8.150 nan 0.000 0.443 12 F N 0.141 120.090 119.950 -0.002 0.000 2.102 12 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 12 F C 2.205 178.006 175.800 0.000 0.000 1.105 12 F CA 1.911 59.912 58.000 0.001 0.000 1.239 12 F CB -0.207 38.784 39.000 -0.015 0.000 0.991 12 F HN 0.091 nan 8.300 nan 0.000 0.474 13 M N -0.542 119.029 119.600 -0.048 0.000 2.254 13 M HA -0.145 4.334 4.480 -0.000 0.000 0.265 13 M C 2.225 178.480 176.300 -0.076 0.000 1.066 13 M CA 1.321 56.499 55.300 -0.204 0.000 1.123 13 M CB -1.183 31.324 32.600 -0.156 0.000 1.388 13 M HN 0.291 nan 8.290 nan 0.000 0.425 14 M N -0.260 119.338 119.600 -0.003 0.000 2.099 14 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 14 M C 1.987 178.294 176.300 0.012 0.000 1.067 14 M CA 1.178 56.497 55.300 0.031 0.000 1.124 14 M CB -0.297 32.330 32.600 0.046 0.000 1.353 14 M HN 0.109 nan 8.290 nan 0.000 0.410 15 I N -0.185 120.377 120.570 -0.013 0.000 2.208 15 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 15 I C 2.518 178.611 176.117 -0.040 0.000 1.097 15 I CA 1.359 62.647 61.300 -0.020 0.000 1.363 15 I CB -1.514 36.486 38.000 -0.001 0.000 1.051 15 I HN 0.421 nan 8.210 nan 0.000 0.413 16 C N 0.765 119.987 119.300 -0.131 0.000 2.425 16 C HA -0.147 4.312 4.460 -0.000 0.000 0.277 16 C C 3.024 178.092 174.990 0.130 0.000 1.280 16 C CA 1.460 60.434 59.018 -0.073 0.000 1.744 16 C CB -1.089 26.483 27.740 -0.280 0.000 1.989 16 C HN 0.538 nan 8.230 nan 0.000 0.491 17 T N 1.108 115.773 114.554 0.184 0.000 2.746 17 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 17 T C 2.097 176.825 174.700 0.045 0.000 1.039 17 T CA 1.658 63.856 62.100 0.163 0.000 1.142 17 T CB -0.415 68.559 68.868 0.176 0.000 0.866 17 T HN 0.654 nan 8.240 nan 0.000 0.444 18 A N 1.406 124.246 122.820 0.034 0.000 1.877 18 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 18 A C 2.329 179.930 177.584 0.028 0.000 1.186 18 A CA 1.267 53.310 52.037 0.010 0.000 0.620 18 A CB -0.956 18.031 19.000 -0.022 0.000 0.822 18 A HN 0.464 nan 8.150 nan 0.000 0.443 19 L N -0.388 120.861 121.223 0.044 0.000 1.990 19 L HA -0.230 4.110 4.340 -0.000 0.000 0.213 19 L C 2.571 179.471 176.870 0.049 0.000 1.072 19 L CA 1.626 56.529 54.840 0.105 0.000 0.755 19 L CB -0.767 41.353 42.059 0.101 0.000 0.889 19 L HN 0.280 nan 8.230 nan 0.000 0.432 20 V N -0.035 119.836 119.914 -0.072 0.000 2.332 20 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 20 V C 2.414 178.407 176.094 -0.168 0.000 1.055 20 V CA 1.655 63.807 62.300 -0.246 0.000 1.038 20 V CB -0.507 31.042 31.823 -0.456 0.000 0.651 20 V HN 0.364 nan 8.190 nan 0.000 0.450 21 L N -1.208 119.978 121.223 -0.061 0.000 2.079 21 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 21 L C 2.423 179.316 176.870 0.038 0.000 1.081 21 L CA 1.565 56.414 54.840 0.015 0.000 0.752 21 L CB -0.620 41.479 42.059 0.067 0.000 0.896 21 L HN 0.341 nan 8.230 nan 0.000 0.433 22 F N 0.642 120.522 119.950 -0.116 0.000 2.293 22 F HA -0.172 4.355 4.527 -0.000 0.000 0.300 22 F C 2.349 178.072 175.800 -0.128 0.000 1.086 22 F CA 1.121 59.056 58.000 -0.108 0.000 1.375 22 F CB -0.343 38.616 39.000 -0.068 0.000 1.045 22 F HN 0.015 nan 8.300 nan 0.000 0.516 23 M N -1.028 118.497 119.600 -0.125 0.000 2.117 23 M HA -0.204 4.276 4.480 -0.000 0.000 0.262 23 M C 1.921 178.087 176.300 -0.225 0.000 1.065 23 M CA 2.182 57.329 55.300 -0.254 0.000 1.114 23 M CB -0.836 31.570 32.600 -0.324 0.000 1.361 23 M HN -0.012 nan 8.290 nan 0.000 0.408 24 T N 0.417 114.865 114.554 -0.177 0.000 2.814 24 T HA 0.120 4.470 4.350 -0.000 0.000 0.254 24 T C 0.872 175.457 174.700 -0.192 0.000 1.037 24 T CA 0.678 62.686 62.100 -0.153 0.000 1.143 24 T CB 0.238 69.058 68.868 -0.079 0.000 0.866 24 T HN 0.048 nan 8.240 nan 0.000 0.431 25 I N 3.289 123.711 120.570 -0.246 0.000 2.371 25 I HA 0.272 4.442 4.170 -0.000 0.000 0.282 25 I C -2.115 173.974 176.117 -0.047 0.000 1.031 25 I CA -2.707 58.445 61.300 -0.246 0.000 1.180 25 I CB 1.127 38.828 38.000 -0.499 0.000 1.336 25 I HN 0.071 nan 8.210 nan 0.000 0.467 26 P HA 0.178 nan 4.420 nan 0.000 0.272 26 P C 1.261 178.485 177.300 -0.126 0.000 1.408 26 P CA 0.098 63.148 63.100 -0.085 0.000 0.996 26 P CB 0.878 32.559 31.700 -0.031 0.000 1.481 27 G N 1.844 110.512 108.800 -0.219 0.000 2.628 27 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.217 27 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.217 27 G C 1.297 176.130 174.900 -0.111 0.000 1.240 27 G CA 0.893 45.849 45.100 -0.240 0.000 0.792 27 G HN 0.265 nan 8.290 nan 0.000 0.593 28 I N 1.740 122.251 120.570 -0.099 0.000 2.394 28 I HA 0.022 4.192 4.170 -0.000 0.000 0.251 28 I C 2.998 179.199 176.117 0.139 0.000 1.136 28 I CA 1.233 62.520 61.300 -0.021 0.000 1.425 28 I CB -0.314 37.680 38.000 -0.011 0.000 1.079 28 I HN 0.223 nan 8.210 nan 0.000 0.425 29 A N -0.050 122.818 122.820 0.079 0.000 1.902 29 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 29 A C 2.276 179.928 177.584 0.113 0.000 1.181 29 A CA 1.810 53.909 52.037 0.104 0.000 0.623 29 A CB -0.838 18.175 19.000 0.023 0.000 0.818 29 A HN 0.472 nan 8.150 nan 0.000 0.443 30 L N -2.552 118.706 121.223 0.059 0.000 2.209 30 L HA 0.004 4.344 4.340 -0.000 0.000 0.207 30 L C 2.351 179.242 176.870 0.035 0.000 1.094 30 L CA 0.757 55.617 54.840 0.034 0.000 0.790 30 L CB -0.400 41.652 42.059 -0.011 0.000 0.932 30 L HN 0.483 nan 8.230 nan 0.000 0.447 31 F N 0.293 120.177 119.950 -0.109 0.000 2.043 31 F HA -0.344 4.183 4.527 -0.000 0.000 0.297 31 F C 2.341 178.059 175.800 -0.136 0.000 1.121 31 F CA 1.900 59.795 58.000 -0.175 0.000 1.199 31 F CB -0.388 38.437 39.000 -0.293 0.000 0.968 31 F HN -0.044 nan 8.300 nan 0.000 0.478 32 Y N 0.576 120.971 120.300 0.159 0.000 2.293 32 Y HA -0.021 4.529 4.550 0.000 0.000 0.291 32 Y C 2.708 178.602 175.900 -0.011 0.000 1.137 32 Y CA 1.016 59.152 58.100 0.060 0.000 1.202 32 Y CB -1.392 37.135 38.460 0.112 0.000 0.990 32 Y HN 0.167 nan 8.280 nan 0.000 0.537 33 G N -0.368 108.523 108.800 0.151 0.000 2.513 33 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.219 33 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.219 33 G C 1.978 176.916 174.900 0.062 0.000 1.160 33 G CA 1.139 46.305 45.100 0.110 0.000 0.767 33 G HN 0.523 nan 8.290 nan 0.000 0.571 34 G N -0.421 108.302 108.800 -0.129 0.000 2.880 34 G HA2 0.231 4.191 3.960 -0.000 0.000 0.209 34 G HA3 0.231 4.191 3.960 -0.000 0.000 0.209 34 G C 1.593 176.308 174.900 -0.308 0.000 1.157 34 G CA 0.060 44.931 45.100 -0.381 0.000 0.779 34 G HN 0.422 nan 8.290 nan 0.000 0.539 35 L N 0.375 121.520 121.223 -0.131 0.000 2.221 35 L HA 0.342 4.682 4.340 -0.000 0.000 0.202 35 L C 1.568 178.495 176.870 0.096 0.000 1.074 35 L CA 0.041 54.849 54.840 -0.054 0.000 0.795 35 L CB -0.123 41.888 42.059 -0.079 0.000 0.960 35 L HN 0.267 nan 8.230 nan 0.000 0.458 36 I N -1.582 119.081 120.570 0.156 0.000 2.945 36 I HA 0.230 4.400 4.170 -0.000 0.000 0.292 36 I C 0.693 176.903 176.117 0.155 0.000 1.093 36 I CA -0.859 60.522 61.300 0.134 0.000 1.336 36 I CB 0.402 38.455 38.000 0.088 0.000 1.435 36 I HN -0.017 nan 8.210 nan 0.000 0.593 37 R N 3.108 123.631 120.500 0.039 0.000 2.583 37 R HA 0.094 4.434 4.340 -0.000 0.000 0.274 37 R C 1.159 177.331 176.300 -0.214 0.000 0.998 37 R CA 1.086 57.151 56.100 -0.060 0.000 1.081 37 R CB 0.482 30.753 30.300 -0.049 0.000 0.940 37 R HN 0.895 nan 8.270 nan 0.000 0.413 38 G N 4.443 112.935 108.800 -0.514 0.000 2.462 38 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.220 38 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.220 38 G C 0.891 175.636 174.900 -0.259 0.000 1.121 38 G CA 1.070 45.767 45.100 -0.672 0.000 0.758 38 G HN 0.810 nan 8.290 nan 0.000 0.559 39 K N -0.109 120.191 120.400 -0.167 0.000 2.439 39 K HA 0.077 4.396 4.320 -0.000 0.000 0.197 39 K C 1.278 177.842 176.600 -0.060 0.000 1.041 39 K CA 0.923 57.156 56.287 -0.089 0.000 0.970 39 K CB -0.018 32.441 32.500 -0.067 0.000 0.773 39 K HN 0.124 nan 8.250 nan 0.000 0.479 40 N N 0.653 119.314 118.700 -0.064 0.000 2.220 40 N HA 0.019 4.759 4.740 -0.000 0.000 0.195 40 N C 1.488 176.987 175.510 -0.019 0.000 1.123 40 N CA 0.181 53.209 53.050 -0.036 0.000 0.874 40 N CB 0.595 39.061 38.487 -0.035 0.000 0.995 40 N HN -0.025 nan 8.380 nan 0.000 0.498 41 V N 1.811 121.717 119.914 -0.014 0.000 2.261 41 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 41 V C 2.407 178.516 176.094 0.025 0.000 1.047 41 V CA 1.293 63.610 62.300 0.029 0.000 1.015 41 V CB -0.448 31.415 31.823 0.066 0.000 0.642 41 V HN 0.240 nan 8.190 nan 0.000 0.446 42 L N -0.162 121.073 121.223 0.020 0.000 2.079 42 L HA -0.196 4.143 4.340 -0.000 0.000 0.210 42 L C 2.677 179.566 176.870 0.031 0.000 1.081 42 L CA 1.995 56.852 54.840 0.028 0.000 0.752 42 L CB -0.791 41.284 42.059 0.027 0.000 0.896 42 L HN 0.396 nan 8.230 nan 0.000 0.433 43 S N -0.547 115.166 115.700 0.021 0.000 2.383 43 S HA -0.179 4.291 4.470 -0.000 0.000 0.227 43 S C 1.983 176.562 174.600 -0.034 0.000 1.026 43 S CA 0.994 59.207 58.200 0.021 0.000 0.981 43 S CB -0.070 63.139 63.200 0.015 0.000 0.818 43 S HN 0.285 nan 8.310 nan 0.000 0.472 44 M N 1.187 120.764 119.600 -0.039 0.000 2.064 44 M HA -0.027 4.453 4.480 -0.000 0.000 0.260 44 M C 1.925 178.198 176.300 -0.044 0.000 1.073 44 M CA 1.645 56.906 55.300 -0.066 0.000 1.124 44 M CB -1.099 31.477 32.600 -0.040 0.000 1.326 44 M HN 0.384 nan 8.290 nan 0.000 0.410 45 L N -0.351 120.873 121.223 0.001 0.000 2.043 45 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 45 L C 2.355 179.234 176.870 0.015 0.000 1.075 45 L CA 1.800 56.648 54.840 0.014 0.000 0.752 45 L CB -1.472 40.604 42.059 0.028 0.000 0.891 45 L HN 0.320 nan 8.230 nan 0.000 0.432 46 T N -0.914 113.659 114.554 0.032 0.000 2.652 46 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 46 T C 1.940 176.668 174.700 0.047 0.000 1.039 46 T CA 1.448 63.600 62.100 0.087 0.000 1.153 46 T CB -0.215 68.752 68.868 0.165 0.000 0.863 46 T HN 0.389 nan 8.240 nan 0.000 0.428 47 Q N 0.075 119.789 119.800 -0.144 0.000 2.124 47 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 47 Q C 2.571 178.479 176.000 -0.153 0.000 0.977 47 Q CA 1.118 56.689 55.803 -0.387 0.000 0.850 47 Q CB -0.327 28.091 28.738 -0.533 0.000 0.901 47 Q HN 0.369 nan 8.270 nan 0.000 0.429 48 V N 0.371 120.243 119.914 -0.071 0.000 2.270 48 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 48 V C 2.221 178.355 176.094 0.067 0.000 1.043 48 V CA 2.134 64.431 62.300 -0.005 0.000 1.014 48 V CB -0.864 30.960 31.823 0.001 0.000 0.645 48 V HN 0.413 nan 8.190 nan 0.000 0.447 49 T N 0.424 115.012 114.554 0.057 0.000 2.635 49 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 49 T C 1.933 176.753 174.700 0.199 0.000 1.040 49 T CA 1.960 64.121 62.100 0.102 0.000 1.156 49 T CB -0.384 68.525 68.868 0.068 0.000 0.863 49 T HN 0.285 nan 8.240 nan 0.000 0.430 50 V N 2.186 122.211 119.914 0.185 0.000 2.343 50 V HA -0.186 3.933 4.120 -0.000 0.000 0.247 50 V C 2.987 179.192 176.094 0.184 0.000 1.051 50 V CA 2.153 64.587 62.300 0.223 0.000 1.036 50 V CB -1.504 30.543 31.823 0.374 0.000 0.654 50 V HN 0.757 nan 8.190 nan 0.000 0.451 51 T N -1.793 112.845 114.554 0.141 0.000 2.904 51 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 51 T C 1.772 176.530 174.700 0.095 0.000 1.059 51 T CA 1.335 63.493 62.100 0.098 0.000 1.137 51 T CB -0.585 68.314 68.868 0.051 0.000 0.879 51 T HN 0.384 nan 8.240 nan 0.000 0.467 52 F N 3.121 123.066 119.950 -0.007 0.000 2.043 52 F HA 0.003 4.530 4.527 -0.000 0.000 0.297 52 F C 2.653 178.446 175.800 -0.011 0.000 1.121 52 F CA 1.405 59.390 58.000 -0.026 0.000 1.199 52 F CB -1.021 37.964 39.000 -0.025 0.000 0.968 52 F HN 0.252 nan 8.300 nan 0.000 0.478 53 A N 0.686 123.548 122.820 0.071 0.000 1.873 53 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 53 A C 2.158 179.682 177.584 -0.101 0.000 1.193 53 A CA 2.029 54.044 52.037 -0.036 0.000 0.629 53 A CB -1.528 17.541 19.000 0.114 0.000 0.826 53 A HN 0.612 nan 8.150 nan 0.000 0.447 54 L N -0.151 121.058 121.223 -0.023 0.000 2.127 54 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 54 L C 2.232 179.062 176.870 -0.067 0.000 1.089 54 L CA 1.995 56.825 54.840 -0.016 0.000 0.757 54 L CB -0.460 41.623 42.059 0.039 0.000 0.899 54 L HN 0.133 nan 8.230 nan 0.000 0.434 55 V N -1.354 118.485 119.914 -0.124 0.000 2.379 55 V HA -0.267 3.853 4.120 -0.000 0.000 0.245 55 V C 2.595 178.584 176.094 -0.175 0.000 1.044 55 V CA 1.643 63.855 62.300 -0.146 0.000 1.036 55 V CB -0.607 31.103 31.823 -0.188 0.000 0.664 55 V HN 0.638 nan 8.190 nan 0.000 0.453 56 C N -0.163 118.942 119.300 -0.324 0.000 2.411 56 C HA -0.128 4.332 4.460 -0.000 0.000 0.279 56 C C 2.554 177.487 174.990 -0.094 0.000 1.288 56 C CA 0.552 59.406 59.018 -0.275 0.000 1.764 56 C CB -0.929 26.557 27.740 -0.423 0.000 1.974 56 C HN 0.455 nan 8.230 nan 0.000 0.498 57 I N 0.280 120.794 120.570 -0.094 0.000 2.339 57 I HA -0.040 4.130 4.170 -0.000 0.000 0.245 57 I C 2.370 178.432 176.117 -0.092 0.000 1.096 57 I CA 1.469 62.731 61.300 -0.063 0.000 1.408 57 I CB -1.270 36.703 38.000 -0.045 0.000 1.092 57 I HN 0.307 nan 8.210 nan 0.000 0.423 58 L N -0.754 120.390 121.223 -0.131 0.000 2.131 58 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 58 L C 2.579 179.209 176.870 -0.401 0.000 1.092 58 L CA 1.310 55.941 54.840 -0.349 0.000 0.759 58 L CB -0.520 41.376 42.059 -0.272 0.000 0.903 58 L HN 0.459 nan 8.230 nan 0.000 0.435 59 W N 0.332 121.457 121.300 -0.293 0.000 2.358 59 W HA -0.191 4.469 4.660 -0.001 0.000 0.303 59 W C 2.144 178.607 176.519 -0.093 0.000 1.208 59 W CA 1.468 58.721 57.345 -0.152 0.000 1.274 59 W CB 0.137 29.542 29.460 -0.090 0.000 1.138 59 W HN -0.053 nan 8.180 nan 0.000 0.515 60 V N 0.148 120.039 119.914 -0.038 0.000 2.323 60 V HA -0.282 3.838 4.120 -0.000 0.000 0.244 60 V C 2.152 178.185 176.094 -0.102 0.000 1.041 60 V CA 1.540 63.789 62.300 -0.085 0.000 1.025 60 V CB -1.005 30.791 31.823 -0.045 0.000 0.656 60 V HN -0.036 nan 8.190 nan 0.000 0.451 61 V N 0.371 120.214 119.914 -0.119 0.000 2.214 61 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 61 V C 2.000 178.098 176.094 0.005 0.000 1.047 61 V CA 2.946 65.214 62.300 -0.054 0.000 0.998 61 V CB -0.652 31.152 31.823 -0.032 0.000 0.633 61 V HN 0.857 nan 8.190 nan 0.000 0.446 62 Y N -1.463 118.824 120.300 -0.022 0.000 2.540 62 Y HA 0.615 5.165 4.550 0.000 0.000 0.257 62 Y C 1.837 177.667 175.900 -0.116 0.000 1.090 62 Y CA 0.209 58.284 58.100 -0.042 0.000 1.242 62 Y CB -0.587 37.853 38.460 -0.033 0.000 1.325 62 Y HN 0.020 nan 8.280 nan 0.000 0.544 63 G N 0.952 109.498 108.800 -0.423 0.000 2.414 63 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.215 63 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.215 63 G C 1.386 175.758 174.900 -0.880 0.000 1.188 63 G CA 1.350 46.188 45.100 -0.436 0.000 0.783 63 G HN 0.484 nan 8.290 nan 0.000 0.537 64 Y N 1.436 120.952 120.300 -1.306 0.000 2.200 64 Y HA -0.078 4.472 4.550 -0.000 0.000 0.290 64 Y C 3.161 178.983 175.900 -0.130 0.000 1.137 64 Y CA 1.673 59.187 58.100 -0.977 0.000 1.163 64 Y CB -0.405 37.617 38.460 -0.730 0.000 0.988 64 Y HN 0.244 nan 8.280 nan 0.000 0.518 65 S N -0.246 115.471 115.700 0.027 0.000 2.370 65 S HA -0.186 4.284 4.470 -0.000 0.000 0.226 65 S C 1.967 176.538 174.600 -0.048 0.000 1.033 65 S CA 1.822 60.111 58.200 0.150 0.000 1.011 65 S CB -0.518 62.791 63.200 0.182 0.000 0.852 65 S HN 0.522 nan 8.310 nan 0.000 0.457 66 L N 0.588 121.778 121.223 -0.056 0.000 2.162 66 L HA 0.132 4.472 4.340 -0.000 0.000 0.205 66 L C 2.859 179.649 176.870 -0.132 0.000 1.086 66 L CA 0.889 55.696 54.840 -0.055 0.000 0.778 66 L CB -0.570 41.495 42.059 0.012 0.000 0.928 66 L HN 0.366 nan 8.230 nan 0.000 0.446 67 A N -0.326 122.377 122.820 -0.195 0.000 1.902 67 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 67 A C 1.640 178.929 177.584 -0.491 0.000 1.181 67 A CA 1.689 53.536 52.037 -0.317 0.000 0.623 67 A CB -0.338 18.535 19.000 -0.213 0.000 0.818 67 A HN 0.404 nan 8.150 nan 0.000 0.443 68 F N -1.338 118.524 119.950 -0.147 0.000 2.798 68 F HA 0.326 4.853 4.527 0.000 0.000 0.328 68 F C 1.368 177.178 175.800 0.018 0.000 1.098 68 F CA -0.392 57.554 58.000 -0.090 0.000 1.172 68 F CB 0.141 38.897 39.000 -0.408 0.000 1.072 68 F HN 0.212 nan 8.300 nan 0.000 0.555 69 G N 0.484 109.240 108.800 -0.075 0.000 2.572 69 G HA2 0.240 4.200 3.960 -0.000 0.000 0.261 69 G HA3 0.240 4.200 3.960 -0.000 0.000 0.261 69 G C -0.524 174.235 174.900 -0.235 0.000 1.197 69 G CA -0.347 44.441 45.100 -0.521 0.000 0.870 69 G HN 0.206 nan 8.290 nan 0.000 0.548 70 E N -0.219 119.806 120.200 -0.292 0.000 2.384 70 E HA 0.463 4.812 4.350 -0.000 0.000 0.266 70 E C 0.797 177.292 176.600 -0.175 0.000 1.012 70 E CA 0.576 56.893 56.400 -0.139 0.000 0.901 70 E CB 0.457 30.079 29.700 -0.129 0.000 0.967 70 E HN 0.544 nan 8.360 nan 0.000 0.435 71 G N 3.755 112.471 108.800 -0.139 0.000 3.453 71 G HA2 0.086 4.046 3.960 -0.000 0.000 0.165 71 G HA3 0.086 4.046 3.960 -0.000 0.000 0.165 71 G C -0.717 174.028 174.900 -0.257 0.000 1.220 71 G CA 0.053 44.988 45.100 -0.275 0.000 1.305 71 G HN 0.688 nan 8.290 nan 0.000 0.695 72 N N -0.772 117.695 118.700 -0.388 0.000 2.938 72 N HA 0.305 5.045 4.740 -0.000 0.000 0.335 72 N C 0.462 175.890 175.510 -0.136 0.000 1.358 72 N CA -0.618 52.275 53.050 -0.261 0.000 0.812 72 N CB 0.569 38.868 38.487 -0.313 0.000 1.233 72 N HN 0.161 nan 8.380 nan 0.000 0.593 73 N N -1.311 117.239 118.700 -0.249 0.000 2.494 73 N HA 0.086 4.826 4.740 -0.000 0.000 0.182 73 N C -0.058 175.127 175.510 -0.542 0.000 1.076 73 N CA 0.787 53.564 53.050 -0.454 0.000 0.908 73 N CB -0.126 37.925 38.487 -0.726 0.000 0.967 73 N HN 0.444 nan 8.380 nan 0.000 0.449 74 F N -0.863 119.111 119.950 0.040 0.000 2.711 74 F HA 0.253 4.781 4.527 0.001 0.000 0.296 74 F C 0.345 176.152 175.800 0.012 0.000 1.096 74 F CA -0.431 57.622 58.000 0.088 0.000 1.280 74 F CB 0.265 39.425 39.000 0.266 0.000 1.060 74 F HN -0.185 nan 8.300 nan 0.000 0.608 75 F N -1.796 117.954 119.950 -0.333 0.000 2.668 75 F HA 0.812 5.339 4.527 -0.000 0.000 0.309 75 F C 0.362 175.543 175.800 -1.031 0.000 1.117 75 F CA -1.627 55.907 58.000 -0.776 0.000 0.951 75 F CB 0.422 39.248 39.000 -0.291 0.000 1.323 75 F HN -0.056 nan 8.300 nan 0.000 0.451 76 G N 0.917 109.296 108.800 -0.700 0.000 3.107 76 G HA2 0.375 4.335 3.960 -0.000 0.000 0.155 76 G HA3 0.375 4.335 3.960 -0.000 0.000 0.155 76 G C -0.627 174.170 174.900 -0.171 0.000 1.875 76 G CA 0.466 45.336 45.100 -0.383 0.000 1.004 76 G HN 1.063 nan 8.290 nan 0.000 0.480 77 N N -1.654 116.966 118.700 -0.132 0.000 3.506 77 N HA 0.389 5.129 4.740 -0.000 0.000 0.331 77 N C -0.433 175.043 175.510 -0.057 0.000 1.631 77 N CA -0.445 52.557 53.050 -0.078 0.000 0.786 77 N CB 0.684 39.066 38.487 -0.176 0.000 2.023 77 N HN 0.690 nan 8.380 nan 0.000 0.621 78 I N -3.326 117.214 120.570 -0.050 0.000 3.241 78 I HA 0.496 4.666 4.170 -0.000 0.000 0.333 78 I C -0.146 175.977 176.117 0.010 0.000 1.534 78 I CA -0.610 60.689 61.300 -0.002 0.000 0.979 78 I CB -0.068 37.935 38.000 0.004 0.000 1.497 78 I HN 0.452 nan 8.210 nan 0.000 0.530 79 N N -0.398 118.280 118.700 -0.037 0.000 2.184 79 N HA 0.009 4.749 4.740 -0.000 0.000 0.206 79 N C 0.162 175.791 175.510 0.198 0.000 1.151 79 N CA -0.102 52.962 53.050 0.023 0.000 0.878 79 N CB 0.044 38.507 38.487 -0.041 0.000 1.014 79 N HN 0.479 nan 8.380 nan 0.000 0.512 80 W N 1.163 122.501 121.300 0.063 0.000 3.086 80 W HA 0.462 5.122 4.660 0.000 0.000 0.436 80 W C -0.361 176.192 176.519 0.056 0.000 0.939 80 W CA -1.401 55.991 57.345 0.079 0.000 2.108 80 W CB -0.593 28.946 29.460 0.133 0.000 1.093 80 W HN -0.082 nan 8.180 nan 0.000 0.783 81 L N 1.827 123.191 121.223 0.234 0.000 2.477 81 L HA -0.012 4.328 4.340 -0.000 0.000 0.272 81 L C 1.227 178.166 176.870 0.115 0.000 1.157 81 L CA 0.390 55.321 54.840 0.152 0.000 0.889 81 L CB 0.054 42.184 42.059 0.119 0.000 1.158 81 L HN 0.065 nan 8.230 nan 0.000 0.473 82 M N 4.603 124.246 119.600 0.071 0.000 2.762 82 M HA -0.260 4.219 4.480 -0.000 0.000 0.190 82 M C 0.650 176.960 176.300 0.018 0.000 0.586 82 M CA 0.598 55.916 55.300 0.030 0.000 0.620 82 M CB -1.649 30.975 32.600 0.039 0.000 2.269 82 M HN 0.725 nan 8.290 nan 0.000 0.563 83 L N -2.487 118.755 121.223 0.033 0.000 4.089 83 L HA -0.244 4.096 4.340 -0.000 0.000 0.408 83 L C 0.666 177.560 176.870 0.040 0.000 1.184 83 L CA 0.874 55.693 54.840 -0.035 0.000 0.947 83 L CB -1.652 40.255 42.059 -0.253 0.000 2.066 83 L HN 0.467 nan 8.230 nan 0.000 0.851 84 K N 1.192 121.666 120.400 0.124 0.000 2.258 84 K HA 0.189 4.509 4.320 -0.000 0.000 0.264 84 K C 1.221 177.950 176.600 0.214 0.000 1.007 84 K CA 0.303 56.676 56.287 0.143 0.000 0.941 84 K CB 0.403 32.984 32.500 0.135 0.000 0.966 84 K HN 0.314 nan 8.250 nan 0.000 0.480 85 N N 0.452 119.256 118.700 0.175 0.000 2.936 85 N HA -0.231 4.509 4.740 -0.000 0.000 0.236 85 N C -0.614 174.985 175.510 0.147 0.000 0.930 85 N CA 1.227 54.404 53.050 0.211 0.000 0.966 85 N CB -1.249 37.436 38.487 0.331 0.000 1.090 85 N HN 0.512 nan 8.380 nan 0.000 0.592 86 I N 2.259 122.835 120.570 0.011 0.000 2.281 86 I HA 0.071 4.241 4.170 -0.000 0.000 0.293 86 I C 0.646 176.800 176.117 0.060 0.000 1.085 86 I CA -0.346 60.907 61.300 -0.078 0.000 1.257 86 I CB 0.492 38.339 38.000 -0.256 0.000 1.430 86 I HN -0.139 nan 8.210 nan 0.000 0.489 87 E N 4.064 124.290 120.200 0.042 0.000 2.481 87 E HA -0.100 4.249 4.350 -0.000 0.000 0.263 87 E C 0.890 177.466 176.600 -0.040 0.000 0.992 87 E CA -0.088 56.319 56.400 0.012 0.000 0.938 87 E CB 1.067 30.779 29.700 0.018 0.000 0.933 87 E HN 0.449 nan 8.360 nan 0.000 0.453 88 L N 3.772 124.890 121.223 -0.175 0.000 2.191 88 L HA -0.164 4.175 4.340 -0.000 0.000 0.212 88 L C 1.854 178.518 176.870 -0.344 0.000 1.103 88 L CA 2.428 56.998 54.840 -0.450 0.000 0.769 88 L CB -0.937 40.837 42.059 -0.475 0.000 0.908 88 L HN 0.651 nan 8.230 nan 0.000 0.438 89 T N -2.921 111.541 114.554 -0.155 0.000 3.086 89 T HA 0.439 4.789 4.350 -0.000 0.000 0.250 89 T C 0.887 175.710 174.700 0.205 0.000 1.074 89 T CA 0.089 62.188 62.100 -0.002 0.000 0.988 89 T CB -0.617 68.266 68.868 0.024 0.000 0.988 89 T HN 0.400 nan 8.240 nan 0.000 0.530 90 A N 1.380 124.271 122.820 0.118 0.000 2.540 90 A HA 0.490 4.810 4.320 -0.000 0.000 0.239 90 A C 0.167 177.843 177.584 0.154 0.000 1.061 90 A CA -0.199 51.906 52.037 0.112 0.000 0.758 90 A CB 0.002 19.037 19.000 0.057 0.000 0.991 90 A HN 0.396 nan 8.150 nan 0.000 0.502 91 V N 4.120 124.074 119.914 0.067 0.000 2.417 91 V HA 0.473 4.593 4.120 -0.000 0.000 0.291 91 V C -0.010 176.066 176.094 -0.030 0.000 1.024 91 V CA -0.250 62.037 62.300 -0.020 0.000 0.861 91 V CB 1.361 33.118 31.823 -0.109 0.000 0.985 91 V HN 0.969 nan 8.190 nan 0.000 0.436 92 M N 4.504 124.068 119.600 -0.060 0.000 2.227 92 M HA 0.707 5.187 4.480 -0.000 0.000 0.335 92 M C 0.717 176.929 176.300 -0.146 0.000 1.053 92 M CA 1.162 56.398 55.300 -0.106 0.000 0.973 92 M CB 1.181 33.675 32.600 -0.175 0.000 1.623 92 M HN 0.969 nan 8.290 nan 0.000 0.434 93 G N 2.791 111.517 108.800 -0.123 0.000 2.675 93 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.312 93 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.312 93 G C 0.360 175.200 174.900 -0.100 0.000 1.186 93 G CA 0.646 45.680 45.100 -0.111 0.000 0.965 93 G HN 1.347 nan 8.290 nan 0.000 0.548 94 S N 0.124 115.757 115.700 -0.111 0.000 2.819 94 S HA 0.606 5.076 4.470 -0.000 0.000 0.249 94 S C 0.478 174.981 174.600 -0.162 0.000 1.030 94 S CA 0.520 58.647 58.200 -0.121 0.000 1.052 94 S CB -0.154 62.992 63.200 -0.090 0.000 1.017 94 S HN 1.670 nan 8.310 nan 0.000 0.576 95 I N -2.145 118.328 120.570 -0.162 0.000 2.892 95 I HA 0.711 4.881 4.170 -0.000 0.000 0.306 95 I C -0.948 175.067 176.117 -0.169 0.000 1.078 95 I CA -1.704 59.496 61.300 -0.166 0.000 1.032 95 I CB 0.916 38.877 38.000 -0.065 0.000 1.229 95 I HN -0.122 nan 8.210 nan 0.000 0.435 96 Y N 2.032 122.328 120.300 -0.006 0.000 2.597 96 Y HA -0.010 4.540 4.550 -0.000 0.000 0.336 96 Y C 1.709 177.625 175.900 0.027 0.000 1.216 96 Y CA 0.506 58.607 58.100 0.002 0.000 1.463 96 Y CB 0.459 38.916 38.460 -0.003 0.000 1.303 96 Y HN 0.691 nan 8.280 nan 0.000 0.576 97 Q N 1.602 121.520 119.800 0.197 0.000 2.135 97 Q HA -0.247 4.092 4.340 -0.000 0.000 0.204 97 Q C 1.311 177.358 176.000 0.077 0.000 0.981 97 Q CA 1.745 57.607 55.803 0.097 0.000 0.856 97 Q CB -0.246 28.497 28.738 0.008 0.000 0.902 97 Q HN 0.834 nan 8.270 nan 0.000 0.425 98 Y N 0.414 120.679 120.300 -0.059 0.000 2.193 98 Y HA -0.254 4.296 4.550 0.000 0.000 0.285 98 Y C 1.890 177.759 175.900 -0.053 0.000 1.166 98 Y CA 1.465 59.506 58.100 -0.099 0.000 1.181 98 Y CB -0.154 38.256 38.460 -0.083 0.000 0.976 98 Y HN 0.214 nan 8.280 nan 0.000 0.520 99 I N -1.582 119.088 120.570 0.166 0.000 2.439 99 I HA -0.290 3.880 4.170 -0.000 0.000 0.251 99 I C 2.503 178.691 176.117 0.118 0.000 1.139 99 I CA 1.274 62.648 61.300 0.123 0.000 1.438 99 I CB -0.569 37.506 38.000 0.124 0.000 1.085 99 I HN 0.331 nan 8.210 nan 0.000 0.427 100 H N 1.218 120.277 119.070 -0.018 0.000 2.357 100 H HA -0.118 4.438 4.556 -0.000 0.000 0.301 100 H C 2.326 177.636 175.328 -0.030 0.000 1.082 100 H CA 1.745 57.780 56.048 -0.022 0.000 1.342 100 H CB 0.357 30.087 29.762 -0.053 0.000 1.389 100 H HN 0.114 nan 8.280 nan 0.000 0.511 101 V N 1.311 121.027 119.914 -0.330 0.000 2.287 101 V HA -0.288 3.831 4.120 -0.000 0.000 0.248 101 V C 2.986 179.076 176.094 -0.007 0.000 1.053 101 V CA 1.730 63.753 62.300 -0.463 0.000 1.027 101 V CB -1.142 30.240 31.823 -0.736 0.000 0.646 101 V HN 0.572 nan 8.190 nan 0.000 0.447 102 A N -0.681 122.126 122.820 -0.022 0.000 1.873 102 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 102 A C 2.100 179.707 177.584 0.039 0.000 1.186 102 A CA 1.726 53.776 52.037 0.021 0.000 0.616 102 A CB -0.706 18.320 19.000 0.042 0.000 0.823 102 A HN 0.450 nan 8.150 nan 0.000 0.442 103 F N 0.657 120.573 119.950 -0.056 0.000 2.043 103 F HA -0.255 4.272 4.527 -0.000 0.000 0.297 103 F C 2.628 178.423 175.800 -0.007 0.000 1.121 103 F CA 2.402 60.384 58.000 -0.030 0.000 1.199 103 F CB -0.272 38.711 39.000 -0.029 0.000 0.968 103 F HN 0.188 nan 8.300 nan 0.000 0.478 104 Q N 0.221 120.014 119.800 -0.011 0.000 2.124 104 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 104 Q C 2.575 178.339 176.000 -0.392 0.000 0.977 104 Q CA 1.371 57.146 55.803 -0.047 0.000 0.850 104 Q CB -1.415 27.398 28.738 0.124 0.000 0.901 104 Q HN 0.577 nan 8.270 nan 0.000 0.429 105 G N 0.913 109.348 108.800 -0.609 0.000 2.469 105 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.219 105 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.219 105 G C 1.646 176.129 174.900 -0.696 0.000 1.150 105 G CA 1.661 45.998 45.100 -1.272 0.000 0.763 105 G HN 0.532 nan 8.290 nan 0.000 0.561 106 S N -0.000 115.454 115.700 -0.410 0.000 2.402 106 S HA 0.026 4.496 4.470 -0.000 0.000 0.229 106 S C 2.067 176.436 174.600 -0.384 0.000 1.021 106 S CA 0.831 58.833 58.200 -0.330 0.000 0.974 106 S CB -0.487 62.550 63.200 -0.273 0.000 0.800 106 S HN 0.218 nan 8.310 nan 0.000 0.484 107 F N 2.617 122.279 119.950 -0.480 0.000 2.134 107 F HA 0.044 4.571 4.527 -0.000 0.000 0.299 107 F C 2.876 178.438 175.800 -0.396 0.000 1.097 107 F CA 0.981 58.784 58.000 -0.328 0.000 1.264 107 F CB -0.826 38.110 39.000 -0.107 0.000 1.001 107 F HN 0.300 nan 8.300 nan 0.000 0.479 108 A N -0.811 121.736 122.820 -0.455 0.000 1.877 108 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 108 A C 2.343 179.591 177.584 -0.560 0.000 1.186 108 A CA 1.857 53.356 52.037 -0.895 0.000 0.620 108 A CB -1.522 16.859 19.000 -1.033 0.000 0.822 108 A HN 0.487 nan 8.150 nan 0.000 0.443 109 C N -1.139 117.914 119.300 -0.412 0.000 2.388 109 C HA -0.162 4.298 4.460 -0.000 0.000 0.277 109 C C 2.478 177.387 174.990 -0.135 0.000 1.210 109 C CA 1.234 60.121 59.018 -0.218 0.000 1.743 109 C CB -1.388 26.284 27.740 -0.113 0.000 2.047 109 C HN 0.687 nan 8.230 nan 0.000 0.458 110 I N 1.292 121.743 120.570 -0.198 0.000 2.208 110 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 110 I C 2.402 178.411 176.117 -0.179 0.000 1.097 110 I CA 1.991 63.164 61.300 -0.211 0.000 1.363 110 I CB -0.851 36.932 38.000 -0.361 0.000 1.051 110 I HN 0.339 nan 8.210 nan 0.000 0.413 111 T N -0.167 114.281 114.554 -0.176 0.000 2.684 111 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 111 T C 2.057 176.741 174.700 -0.025 0.000 1.036 111 T CA 1.894 63.955 62.100 -0.065 0.000 1.148 111 T CB -0.632 68.266 68.868 0.050 0.000 0.863 111 T HN 0.221 nan 8.240 nan 0.000 0.436 112 V N 1.440 121.329 119.914 -0.042 0.000 2.343 112 V HA -0.105 4.015 4.120 -0.000 0.000 0.247 112 V C 2.898 178.982 176.094 -0.016 0.000 1.051 112 V CA 1.936 64.233 62.300 -0.005 0.000 1.036 112 V CB -1.391 30.424 31.823 -0.013 0.000 0.654 112 V HN 0.623 nan 8.190 nan 0.000 0.451 113 G N -0.091 108.700 108.800 -0.017 0.000 2.469 113 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.220 113 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.220 113 G C 1.580 176.503 174.900 0.038 0.000 1.136 113 G CA 1.305 46.412 45.100 0.012 0.000 0.759 113 G HN 0.480 nan 8.290 nan 0.000 0.562 114 L N 0.594 121.819 121.223 0.003 0.000 2.109 114 L HA 0.168 4.507 4.340 -0.000 0.000 0.207 114 L C 2.568 179.439 176.870 0.002 0.000 1.086 114 L CA 1.238 56.100 54.840 0.037 0.000 0.760 114 L CB -0.227 41.752 42.059 -0.133 0.000 0.910 114 L HN 0.303 nan 8.230 nan 0.000 0.437 115 I N -2.124 118.403 120.570 -0.072 0.000 2.333 115 I HA -0.156 4.014 4.170 -0.000 0.000 0.246 115 I C 2.312 178.351 176.117 -0.130 0.000 1.106 115 I CA 0.754 61.988 61.300 -0.110 0.000 1.411 115 I CB -0.550 37.367 38.000 -0.138 0.000 1.082 115 I HN 0.012 nan 8.210 nan 0.000 0.420 116 V N 1.697 121.558 119.914 -0.089 0.000 2.255 116 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 116 V C 2.706 178.648 176.094 -0.254 0.000 1.051 116 V CA 2.414 64.644 62.300 -0.117 0.000 1.018 116 V CB -1.466 30.317 31.823 -0.067 0.000 0.641 116 V HN 0.571 nan 8.190 nan 0.000 0.445 117 G N -0.635 107.960 108.800 -0.342 0.000 2.422 117 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 117 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 117 G C 1.765 175.917 174.900 -1.246 0.000 1.146 117 G CA 1.060 45.723 45.100 -0.728 0.000 0.769 117 G HN 0.627 nan 8.290 nan 0.000 0.547 118 A N 0.188 122.334 122.820 -1.123 0.000 1.940 118 A HA 0.141 4.461 4.320 -0.000 0.000 0.219 118 A C 2.210 179.595 177.584 -0.332 0.000 1.176 118 A CA 1.242 52.917 52.037 -0.603 0.000 0.631 118 A CB -0.234 18.661 19.000 -0.174 0.000 0.814 118 A HN 0.376 nan 8.150 nan 0.000 0.446 119 L N -1.646 119.402 121.223 -0.292 0.000 2.766 119 L HA 0.217 4.557 4.340 -0.000 0.000 0.242 119 L C 2.502 179.259 176.870 -0.188 0.000 1.136 119 L CA 0.406 55.120 54.840 -0.209 0.000 0.933 119 L CB -0.003 41.935 42.059 -0.202 0.000 1.241 119 L HN 0.359 nan 8.230 nan 0.000 0.522 120 A N 0.528 123.216 122.820 -0.219 0.000 1.948 120 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 120 A C 2.117 179.618 177.584 -0.137 0.000 1.177 120 A CA 1.835 53.759 52.037 -0.188 0.000 0.636 120 A CB -0.288 18.590 19.000 -0.203 0.000 0.815 120 A HN 0.452 nan 8.150 nan 0.000 0.449 121 E N -0.873 119.253 120.200 -0.123 0.000 2.085 121 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 121 E C 2.108 178.664 176.600 -0.073 0.000 0.994 121 E CA 1.563 57.913 56.400 -0.083 0.000 0.801 121 E CB -0.106 29.553 29.700 -0.067 0.000 0.743 121 E HN 0.834 nan 8.360 nan 0.000 0.453 122 R N -0.149 120.299 120.500 -0.088 0.000 2.437 122 R HA 0.272 4.612 4.340 -0.000 0.000 0.257 122 R C 0.762 177.016 176.300 -0.076 0.000 0.927 122 R CA -0.092 55.960 56.100 -0.079 0.000 1.078 122 R CB 0.271 30.517 30.300 -0.090 0.000 1.161 122 R HN 0.042 nan 8.270 nan 0.000 0.529 123 I N 1.941 122.464 120.570 -0.078 0.000 2.493 123 I HA 0.313 4.483 4.170 -0.000 0.000 0.298 123 I C -0.247 175.857 176.117 -0.021 0.000 0.998 123 I CA -1.485 59.783 61.300 -0.053 0.000 1.137 123 I CB 2.099 40.064 38.000 -0.058 0.000 1.310 123 I HN 0.093 nan 8.210 nan 0.000 0.445 124 R N 4.574 125.086 120.500 0.018 0.000 2.640 124 R HA -0.053 4.287 4.340 -0.000 0.000 0.270 124 R C 0.458 176.829 176.300 0.119 0.000 1.024 124 R CA 0.192 56.334 56.100 0.069 0.000 1.085 124 R CB 0.416 30.759 30.300 0.072 0.000 0.963 124 R HN 0.671 nan 8.270 nan 0.000 0.426 125 F N 2.598 122.558 119.950 0.016 0.000 2.043 125 F HA -0.287 4.239 4.527 -0.001 0.000 0.297 125 F C 2.409 178.231 175.800 0.037 0.000 1.121 125 F CA 2.577 60.592 58.000 0.025 0.000 1.199 125 F CB -0.522 38.490 39.000 0.020 0.000 0.968 125 F HN 0.728 nan 8.300 nan 0.000 0.478 126 S N 0.002 115.913 115.700 0.352 0.000 2.423 126 S HA -0.085 4.384 4.470 -0.000 0.000 0.231 126 S C 2.152 176.855 174.600 0.171 0.000 1.014 126 S CA 0.749 59.080 58.200 0.218 0.000 0.965 126 S CB -1.077 62.190 63.200 0.111 0.000 0.785 126 S HN 0.398 nan 8.310 nan 0.000 0.495 127 A N 0.926 123.836 122.820 0.150 0.000 2.014 127 A HA 0.210 4.530 4.320 -0.000 0.000 0.218 127 A C 2.318 179.995 177.584 0.156 0.000 1.163 127 A CA 1.076 53.190 52.037 0.128 0.000 0.652 127 A CB -0.826 18.234 19.000 0.100 0.000 0.808 127 A HN 0.470 nan 8.150 nan 0.000 0.449 128 V N -0.009 119.992 119.914 0.144 0.000 2.488 128 V HA -0.125 3.995 4.120 -0.000 0.000 0.246 128 V C 2.319 178.532 176.094 0.197 0.000 1.046 128 V CA 1.593 63.990 62.300 0.162 0.000 1.053 128 V CB -0.411 31.436 31.823 0.040 0.000 0.679 128 V HN 0.584 nan 8.190 nan 0.000 0.458 129 L N -0.366 120.965 121.223 0.180 0.000 1.990 129 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 129 L C 2.414 179.357 176.870 0.121 0.000 1.072 129 L CA 2.367 57.305 54.840 0.164 0.000 0.755 129 L CB -0.665 41.516 42.059 0.203 0.000 0.889 129 L HN 0.283 nan 8.230 nan 0.000 0.432 130 I N -0.854 119.790 120.570 0.124 0.000 2.127 130 I HA -0.361 3.809 4.170 -0.000 0.000 0.241 130 I C 2.515 178.679 176.117 0.079 0.000 1.075 130 I CA 1.609 62.964 61.300 0.092 0.000 1.334 130 I CB -0.425 37.630 38.000 0.091 0.000 1.040 130 I HN 0.159 nan 8.210 nan 0.000 0.405 131 F N 1.421 121.350 119.950 -0.036 0.000 2.065 131 F HA -0.254 4.272 4.527 -0.001 0.000 0.298 131 F C 2.376 178.161 175.800 -0.024 0.000 1.112 131 F CA 1.874 59.794 58.000 -0.134 0.000 1.212 131 F CB -0.768 38.043 39.000 -0.316 0.000 0.975 131 F HN -0.203 nan 8.300 nan 0.000 0.476 132 V N 0.231 120.005 119.914 -0.233 0.000 2.252 132 V HA -0.355 3.765 4.120 -0.000 0.000 0.249 132 V C 2.507 178.514 176.094 -0.145 0.000 1.056 132 V CA 1.925 64.069 62.300 -0.261 0.000 1.022 132 V CB -1.021 30.793 31.823 -0.015 0.000 0.641 132 V HN 0.359 nan 8.190 nan 0.000 0.445 133 V N -0.273 119.618 119.914 -0.038 0.000 2.252 133 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 133 V C 2.379 178.479 176.094 0.009 0.000 1.056 133 V CA 2.279 64.597 62.300 0.031 0.000 1.022 133 V CB -0.596 31.264 31.823 0.061 0.000 0.641 133 V HN 0.417 nan 8.190 nan 0.000 0.445 134 V N -1.476 118.412 119.914 -0.045 0.000 2.237 134 V HA -0.301 3.819 4.120 -0.000 0.000 0.245 134 V C 1.966 178.042 176.094 -0.029 0.000 1.046 134 V CA 2.565 64.846 62.300 -0.033 0.000 1.007 134 V CB -0.781 31.033 31.823 -0.014 0.000 0.638 134 V HN 0.783 nan 8.190 nan 0.000 0.445 135 W N -0.018 121.056 121.300 -0.377 0.000 2.467 135 W HA -0.044 4.615 4.660 -0.001 0.000 0.275 135 W C 2.076 178.520 176.519 -0.126 0.000 1.239 135 W CA 1.105 58.256 57.345 -0.323 0.000 1.266 135 W CB -0.035 28.957 29.460 -0.780 0.000 1.112 135 W HN 0.199 nan 8.180 nan 0.000 0.576 136 L N 0.367 121.625 121.223 0.058 0.000 2.056 136 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 136 L C 2.243 179.151 176.870 0.063 0.000 1.078 136 L CA 2.631 57.513 54.840 0.070 0.000 0.749 136 L CB -1.139 40.991 42.059 0.119 0.000 0.901 136 L HN -0.135 nan 8.230 nan 0.000 0.433 137 T N -0.555 114.044 114.554 0.075 0.000 2.809 137 T HA -0.022 4.328 4.350 -0.000 0.000 0.260 137 T C 1.673 176.374 174.700 0.003 0.000 1.039 137 T CA 1.675 63.838 62.100 0.105 0.000 1.141 137 T CB -0.129 68.777 68.868 0.064 0.000 0.869 137 T HN 0.274 nan 8.240 nan 0.000 0.437 138 L N 0.039 121.243 121.223 -0.033 0.000 2.693 138 L HA 0.359 4.699 4.340 -0.000 0.000 0.235 138 L C 2.140 179.081 176.870 0.119 0.000 1.127 138 L CA 0.113 54.969 54.840 0.027 0.000 0.914 138 L CB 0.179 42.246 42.059 0.013 0.000 1.193 138 L HN 0.192 nan 8.230 nan 0.000 0.502 139 S N -1.051 114.535 115.700 -0.190 0.000 3.334 139 S HA -0.024 4.446 4.470 -0.000 0.000 0.224 139 S C 1.712 175.971 174.600 -0.567 0.000 0.959 139 S CA -0.090 57.893 58.200 -0.362 0.000 0.815 139 S CB -0.315 62.341 63.200 -0.906 0.000 0.861 139 S HN 0.323 nan 8.310 nan 0.000 0.596 140 Y N 2.295 122.069 120.300 -0.876 0.000 2.181 140 Y HA 0.030 4.580 4.550 -0.001 0.000 0.288 140 Y C 1.892 177.635 175.900 -0.262 0.000 1.146 140 Y CA 1.952 59.702 58.100 -0.584 0.000 1.164 140 Y CB -0.264 37.908 38.460 -0.480 0.000 0.982 140 Y HN 0.323 nan 8.280 nan 0.000 0.515 141 I N 0.209 120.752 120.570 -0.045 0.000 2.163 141 I HA -0.210 3.960 4.170 -0.000 0.000 0.240 141 I C -0.652 175.356 176.117 -0.181 0.000 1.081 141 I CA 1.091 62.399 61.300 0.012 0.000 1.353 141 I CB -1.514 36.572 38.000 0.143 0.000 1.054 141 I HN 0.176 nan 8.210 nan 0.000 0.407 142 P HA -0.140 nan 4.420 nan 0.000 0.215 142 P C 1.806 178.818 177.300 -0.479 0.000 1.153 142 P CA 1.587 64.523 63.100 -0.274 0.000 0.853 142 P CB -0.011 31.509 31.700 -0.300 0.000 0.788 143 I N -0.510 119.658 120.570 -0.669 0.000 2.202 143 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 143 I C 2.436 178.186 176.117 -0.612 0.000 1.091 143 I CA 1.408 62.313 61.300 -0.658 0.000 1.368 143 I CB -1.108 36.516 38.000 -0.628 0.000 1.058 143 I HN -0.107 nan 8.210 nan 0.000 0.410 144 A N 0.576 122.973 122.820 -0.706 0.000 1.896 144 A HA -0.386 3.934 4.320 -0.000 0.000 0.220 144 A C 2.247 179.550 177.584 -0.467 0.000 1.206 144 A CA 2.756 54.431 52.037 -0.604 0.000 0.647 144 A CB -1.328 17.376 19.000 -0.494 0.000 0.828 144 A HN 0.615 nan 8.150 nan 0.000 0.455 145 H N -1.349 117.415 119.070 -0.509 0.000 2.389 145 H HA 0.064 4.620 4.556 -0.000 0.000 0.299 145 H C 1.976 177.110 175.328 -0.323 0.000 1.081 145 H CA 1.874 57.663 56.048 -0.432 0.000 1.345 145 H CB -0.184 29.384 29.762 -0.323 0.000 1.393 145 H HN 0.440 nan 8.280 nan 0.000 0.520 146 M N -0.779 118.631 119.600 -0.317 0.000 2.229 146 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 146 M C 1.603 177.715 176.300 -0.314 0.000 1.063 146 M CA 1.051 56.157 55.300 -0.324 0.000 1.114 146 M CB 0.408 32.810 32.600 -0.331 0.000 1.387 146 M HN 0.245 nan 8.290 nan 0.000 0.420 147 V N -2.689 117.003 119.914 -0.371 0.000 2.690 147 V HA -0.058 4.062 4.120 -0.000 0.000 0.240 147 V C 1.228 177.217 176.094 -0.175 0.000 1.078 147 V CA 0.833 62.917 62.300 -0.361 0.000 1.102 147 V CB -0.054 31.403 31.823 -0.610 0.000 0.800 147 V HN 0.527 nan 8.190 nan 0.000 0.479 148 W N 0.462 121.692 121.300 -0.117 0.000 3.127 148 W HA 0.504 5.165 4.660 0.001 0.000 0.344 148 W C 1.587 178.164 176.519 0.096 0.000 1.151 148 W CA 0.245 57.611 57.345 0.035 0.000 1.765 148 W CB -0.122 29.446 29.460 0.180 0.000 1.085 148 W HN 0.320 nan 8.180 nan 0.000 0.596 149 G N -0.427 108.345 108.800 -0.047 0.000 3.805 149 G HA2 0.368 4.328 3.960 -0.000 0.000 0.290 149 G HA3 0.368 4.328 3.960 -0.000 0.000 0.290 149 G C 1.208 175.886 174.900 -0.369 0.000 1.077 149 G CA 0.112 45.086 45.100 -0.210 0.000 0.852 149 G HN 0.222 nan 8.290 nan 0.000 0.531 150 G N -0.654 108.029 108.800 -0.194 0.000 2.168 150 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.257 150 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.257 150 G C 0.900 175.616 174.900 -0.305 0.000 0.997 150 G CA 0.515 45.504 45.100 -0.184 0.000 0.708 150 G HN 1.012 nan 8.290 nan 0.000 0.520 151 G N -1.092 107.415 108.800 -0.488 0.000 2.494 151 G HA2 0.524 4.484 3.960 -0.000 0.000 0.270 151 G HA3 0.524 4.484 3.960 -0.000 0.000 0.270 151 G C 1.325 176.068 174.900 -0.263 0.000 1.423 151 G CA 0.117 44.962 45.100 -0.425 0.000 1.055 151 G HN 0.826 nan 8.290 nan 0.000 0.536 152 L N -0.657 120.393 121.223 -0.288 0.000 1.997 152 L HA -0.135 4.205 4.340 -0.000 0.000 0.216 152 L C 2.827 179.700 176.870 0.006 0.000 1.074 152 L CA 1.764 56.497 54.840 -0.178 0.000 0.763 152 L CB -0.413 41.448 42.059 -0.330 0.000 0.890 152 L HN 0.477 nan 8.230 nan 0.000 0.434 153 L N -1.464 119.714 121.223 -0.076 0.000 2.072 153 L HA -0.134 4.206 4.340 -0.000 0.000 0.205 153 L C 2.639 179.509 176.870 -0.001 0.000 1.079 153 L CA 1.025 55.846 54.840 -0.032 0.000 0.752 153 L CB -0.841 41.161 42.059 -0.094 0.000 0.906 153 L HN 0.385 nan 8.230 nan 0.000 0.436 154 A N 0.277 123.069 122.820 -0.046 0.000 1.877 154 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 154 A C 2.516 180.088 177.584 -0.020 0.000 1.186 154 A CA 1.943 53.972 52.037 -0.014 0.000 0.620 154 A CB -0.767 18.221 19.000 -0.020 0.000 0.822 154 A HN 0.504 nan 8.150 nan 0.000 0.443 155 S N -0.598 115.062 115.700 -0.068 0.000 2.440 155 S HA -0.212 4.258 4.470 -0.000 0.000 0.238 155 S C 1.286 175.742 174.600 -0.241 0.000 1.010 155 S CA 1.641 59.750 58.200 -0.152 0.000 0.972 155 S CB -0.690 62.384 63.200 -0.210 0.000 0.774 155 S HN 0.705 nan 8.310 nan 0.000 0.501 156 H N 0.623 119.674 119.070 -0.031 0.000 2.505 156 H HA 0.469 5.025 4.556 -0.000 0.000 0.289 156 H C 1.393 176.727 175.328 0.010 0.000 1.052 156 H CA 0.121 56.169 56.048 -0.000 0.000 1.156 156 H CB 0.234 29.990 29.762 -0.010 0.000 1.507 156 H HN 0.533 nan 8.280 nan 0.000 0.548 157 G N 0.295 109.139 108.800 0.074 0.000 2.132 157 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.228 157 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.228 157 G C 0.342 175.260 174.900 0.030 0.000 1.000 157 G CA -0.012 45.122 45.100 0.058 0.000 0.693 157 G HN 0.654 nan 8.290 nan 0.000 0.515 158 A N 0.061 122.900 122.820 0.031 0.000 2.450 158 A HA 0.660 4.979 4.320 -0.000 0.000 0.255 158 A C 0.624 178.232 177.584 0.040 0.000 1.096 158 A CA 0.067 52.114 52.037 0.016 0.000 0.778 158 A CB 0.325 19.329 19.000 0.006 0.000 1.031 158 A HN 0.890 nan 8.150 nan 0.000 0.494 159 L N 2.776 124.011 121.223 0.020 0.000 2.264 159 L HA 0.423 4.762 4.340 -0.000 0.000 0.289 159 L C -0.368 176.631 176.870 0.215 0.000 1.044 159 L CA -0.219 54.632 54.840 0.018 0.000 0.807 159 L CB 1.039 42.954 42.059 -0.240 0.000 1.192 159 L HN 0.722 nan 8.230 nan 0.000 0.425 160 D N 2.250 122.898 120.400 0.414 0.000 2.445 160 D HA 0.058 4.698 4.640 -0.000 0.000 0.236 160 D C 0.162 176.879 176.300 0.695 0.000 1.315 160 D CA -0.436 53.840 54.000 0.459 0.000 0.924 160 D CB 0.605 41.529 40.800 0.207 0.000 1.447 160 D HN 0.301 nan 8.370 nan 0.000 0.532 161 F N 2.839 123.153 119.950 0.607 0.000 2.134 161 F HA 0.084 4.611 4.527 -0.000 0.000 0.299 161 F C 1.615 177.663 175.800 0.414 0.000 1.097 161 F CA 1.855 60.082 58.000 0.377 0.000 1.264 161 F CB 0.532 39.504 39.000 -0.047 0.000 1.001 161 F HN 0.419 nan 8.300 nan 0.000 0.479 162 A N -1.397 121.819 122.820 0.661 0.000 2.661 162 A HA 0.555 4.875 4.320 -0.000 0.000 0.278 162 A C 0.876 179.028 177.584 0.947 0.000 1.090 162 A CA 0.378 52.818 52.037 0.671 0.000 0.969 162 A CB -0.279 19.124 19.000 0.672 0.000 1.240 162 A HN 0.796 nan 8.150 nan 0.000 0.578 163 G N -0.953 108.364 108.800 0.861 0.000 2.245 163 G HA2 0.051 4.011 3.960 -0.000 0.000 0.130 163 G HA3 0.051 4.011 3.960 -0.000 0.000 0.130 163 G C 0.997 176.198 174.900 0.501 0.000 1.040 163 G CA 0.312 45.753 45.100 0.569 0.000 0.713 163 G HN 1.174 nan 8.290 nan 0.000 0.488 164 G N 0.129 109.181 108.800 0.419 0.000 2.422 164 G HA2 0.062 4.022 3.960 -0.000 0.000 0.218 164 G HA3 0.062 4.022 3.960 -0.000 0.000 0.218 164 G C 1.846 176.914 174.900 0.280 0.000 1.146 164 G CA 2.536 47.859 45.100 0.372 0.000 0.769 164 G HN 1.393 nan 8.290 nan 0.000 0.547 165 T N -1.084 113.553 114.554 0.138 0.000 2.837 165 T HA -0.001 4.349 4.350 -0.000 0.000 0.248 165 T C 2.326 177.025 174.700 -0.002 0.000 1.033 165 T CA 1.168 63.303 62.100 0.058 0.000 1.150 165 T CB -0.580 68.266 68.868 -0.037 0.000 0.865 165 T HN -0.021 nan 8.240 nan 0.000 0.425 166 V N 1.602 121.398 119.914 -0.197 0.000 2.392 166 V HA -0.107 4.013 4.120 -0.000 0.000 0.249 166 V C 2.704 178.816 176.094 0.030 0.000 1.059 166 V CA 1.502 63.595 62.300 -0.345 0.000 1.051 166 V CB -0.720 30.569 31.823 -0.889 0.000 0.658 166 V HN 0.423 nan 8.190 nan 0.000 0.455 167 V N -1.611 118.402 119.914 0.164 0.000 2.602 167 V HA 0.014 4.134 4.120 -0.000 0.000 0.235 167 V C 2.260 178.403 176.094 0.081 0.000 1.087 167 V CA 0.969 63.372 62.300 0.172 0.000 1.117 167 V CB -0.636 31.209 31.823 0.038 0.000 0.820 167 V HN 0.464 nan 8.190 nan 0.000 0.490 168 H N -0.086 119.178 119.070 0.324 0.000 2.317 168 H HA 0.086 4.641 4.556 -0.000 0.000 0.304 168 H C 2.347 177.862 175.328 0.312 0.000 1.067 168 H CA 1.956 58.218 56.048 0.357 0.000 1.352 168 H CB 0.061 30.040 29.762 0.362 0.000 1.398 168 H HN 0.294 nan 8.280 nan 0.000 0.510 169 I N 1.113 121.904 120.570 0.369 0.000 2.163 169 I HA -0.261 3.909 4.170 -0.000 0.000 0.240 169 I C 2.526 178.857 176.117 0.356 0.000 1.081 169 I CA 0.994 62.486 61.300 0.320 0.000 1.353 169 I CB -0.328 37.824 38.000 0.252 0.000 1.054 169 I HN 0.148 nan 8.210 nan 0.000 0.407 170 N N 1.323 120.229 118.700 0.344 0.000 2.049 170 N HA -0.251 4.489 4.740 -0.000 0.000 0.198 170 N C 1.719 177.608 175.510 0.631 0.000 1.030 170 N CA 2.370 55.703 53.050 0.472 0.000 0.870 170 N CB -0.215 38.513 38.487 0.402 0.000 1.045 170 N HN 0.406 nan 8.380 nan 0.000 0.434 171 A N -0.439 122.655 122.820 0.456 0.000 1.970 171 A HA 0.304 4.624 4.320 -0.000 0.000 0.216 171 A C 2.272 179.957 177.584 0.170 0.000 1.170 171 A CA 1.479 53.642 52.037 0.210 0.000 0.645 171 A CB -0.780 18.276 19.000 0.095 0.000 0.816 171 A HN 0.419 nan 8.150 nan 0.000 0.447 172 A N -0.172 122.817 122.820 0.283 0.000 1.930 172 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 172 A C 1.952 179.784 177.584 0.415 0.000 1.175 172 A CA 1.406 53.660 52.037 0.361 0.000 0.627 172 A CB -0.359 18.906 19.000 0.442 0.000 0.815 172 A HN 0.365 nan 8.150 nan 0.000 0.443 173 I N -0.155 120.658 120.570 0.405 0.000 2.353 173 I HA -0.140 4.030 4.170 -0.000 0.000 0.248 173 I C 2.874 179.135 176.117 0.241 0.000 1.119 173 I CA 1.210 62.698 61.300 0.314 0.000 1.417 173 I CB -1.380 36.822 38.000 0.336 0.000 1.078 173 I HN 0.353 nan 8.210 nan 0.000 0.421 174 A N 0.712 123.686 122.820 0.256 0.000 1.933 174 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 174 A C 2.465 180.086 177.584 0.062 0.000 1.175 174 A CA 1.853 53.976 52.037 0.143 0.000 0.628 174 A CB -1.247 17.586 19.000 -0.278 0.000 0.814 174 A HN 0.421 nan 8.150 nan 0.000 0.444 175 G N -0.494 108.323 108.800 0.029 0.000 2.402 175 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.216 175 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.216 175 G C 1.472 176.359 174.900 -0.021 0.000 1.162 175 G CA 1.064 46.155 45.100 -0.015 0.000 0.777 175 G HN 0.383 nan 8.290 nan 0.000 0.539 176 L N 0.594 121.838 121.223 0.033 0.000 2.042 176 L HA -0.043 4.296 4.340 -0.000 0.000 0.210 176 L C 3.054 179.904 176.870 -0.034 0.000 1.076 176 L CA 1.145 55.971 54.840 -0.022 0.000 0.749 176 L CB -0.390 41.594 42.059 -0.125 0.000 0.893 176 L HN 0.097 nan 8.230 nan 0.000 0.432 177 V N -0.417 119.494 119.914 -0.005 0.000 2.332 177 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 177 V C 2.544 178.513 176.094 -0.208 0.000 1.055 177 V CA 1.844 64.149 62.300 0.009 0.000 1.038 177 V CB -1.519 30.417 31.823 0.189 0.000 0.651 177 V HN 0.632 nan 8.190 nan 0.000 0.450 178 G N -0.309 108.190 108.800 -0.502 0.000 2.480 178 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.216 178 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.216 178 G C 1.794 176.415 174.900 -0.466 0.000 1.200 178 G CA 1.223 45.748 45.100 -0.958 0.000 0.782 178 G HN 0.625 nan 8.290 nan 0.000 0.554 179 A N -0.105 122.570 122.820 -0.242 0.000 1.902 179 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 179 A C 2.236 179.766 177.584 -0.092 0.000 1.181 179 A CA 1.831 53.784 52.037 -0.140 0.000 0.623 179 A CB -0.767 18.190 19.000 -0.070 0.000 0.818 179 A HN 0.560 nan 8.150 nan 0.000 0.443 180 Y N 0.370 120.577 120.300 -0.156 0.000 2.207 180 Y HA -0.168 4.381 4.550 -0.001 0.000 0.287 180 Y C 1.830 177.666 175.900 -0.106 0.000 1.156 180 Y CA 2.055 60.092 58.100 -0.104 0.000 1.182 180 Y CB -0.168 38.251 38.460 -0.069 0.000 0.979 180 Y HN 0.221 nan 8.280 nan 0.000 0.521 181 L N -0.582 120.618 121.223 -0.039 0.000 2.270 181 L HA 0.042 4.382 4.340 -0.000 0.000 0.210 181 L C 0.837 177.593 176.870 -0.190 0.000 1.104 181 L CA 0.071 54.846 54.840 -0.107 0.000 0.804 181 L CB -0.076 41.925 42.059 -0.096 0.000 0.937 181 L HN 0.101 nan 8.230 nan 0.000 0.450 196 H N -0.365 118.688 119.070 -0.028 0.000 2.639 196 H HA 0.261 4.816 4.556 -0.000 0.000 0.267 196 H C -0.421 174.894 175.328 -0.021 0.000 0.958 196 H CA 0.242 56.278 56.048 -0.020 0.000 1.221 196 H CB 0.820 30.573 29.762 -0.014 0.000 1.446 196 H HN 0.234 nan 8.280 nan 0.000 0.512 197 N N 1.129 119.453 118.700 -0.626 0.000 2.707 197 N HA 0.153 4.893 4.740 -0.000 0.000 0.249 197 N C 0.494 175.844 175.510 -0.266 0.000 1.299 197 N CA -0.172 52.625 53.050 -0.422 0.000 0.769 197 N CB 0.854 39.023 38.487 -0.531 0.000 1.236 197 N HN 0.186 nan 8.380 nan 0.000 0.524 198 L N 1.680 122.805 121.223 -0.163 0.000 2.056 198 L HA 0.046 4.386 4.340 -0.000 0.000 0.207 198 L C -0.687 176.152 176.870 -0.053 0.000 1.078 198 L CA 1.092 55.861 54.840 -0.117 0.000 0.749 198 L CB -0.966 41.039 42.059 -0.089 0.000 0.901 198 L HN 0.314 nan 8.230 nan 0.000 0.433 199 P HA -0.264 nan 4.420 nan 0.000 0.216 199 P C 1.820 179.162 177.300 0.069 0.000 1.154 199 P CA 1.711 64.834 63.100 0.039 0.000 0.865 199 P CB -0.041 31.664 31.700 0.008 0.000 0.789 200 M N -0.805 118.781 119.600 -0.024 0.000 2.117 200 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 200 M C 1.634 177.892 176.300 -0.070 0.000 1.065 200 M CA 1.876 57.150 55.300 -0.045 0.000 1.114 200 M CB -0.473 32.073 32.600 -0.090 0.000 1.361 200 M HN -0.236 nan 8.290 nan 0.000 0.408 201 V N 0.556 120.391 119.914 -0.131 0.000 2.343 201 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 201 V C 2.189 178.242 176.094 -0.069 0.000 1.051 201 V CA 2.210 64.371 62.300 -0.232 0.000 1.036 201 V CB -1.179 30.432 31.823 -0.352 0.000 0.654 201 V HN 0.639 nan 8.190 nan 0.000 0.451 202 F N 1.745 121.626 119.950 -0.115 0.000 2.113 202 F HA -0.190 4.337 4.527 -0.000 0.000 0.297 202 F C 2.429 178.214 175.800 -0.024 0.000 1.103 202 F CA 2.224 60.188 58.000 -0.060 0.000 1.248 202 F CB -0.798 38.162 39.000 -0.067 0.000 0.999 202 F HN 0.133 nan 8.300 nan 0.000 0.475 203 T N 0.298 114.754 114.554 -0.163 0.000 2.665 203 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 203 T C 2.182 176.737 174.700 -0.242 0.000 1.035 203 T CA 1.628 63.581 62.100 -0.244 0.000 1.151 203 T CB -1.445 67.399 68.868 -0.040 0.000 0.862 203 T HN 0.503 nan 8.240 nan 0.000 0.438 204 G N 1.353 110.082 108.800 -0.117 0.000 2.446 204 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 204 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 204 G C 1.737 176.616 174.900 -0.035 0.000 1.168 204 G CA 1.549 46.624 45.100 -0.042 0.000 0.771 204 G HN 0.500 nan 8.290 nan 0.000 0.551 205 T N 1.933 116.502 114.554 0.026 0.000 2.684 205 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 205 T C 2.791 177.399 174.700 -0.152 0.000 1.036 205 T CA 1.805 63.895 62.100 -0.016 0.000 1.148 205 T CB -0.581 68.287 68.868 -0.001 0.000 0.863 205 T HN 0.420 nan 8.240 nan 0.000 0.436 206 A N 1.706 124.308 122.820 -0.364 0.000 1.859 206 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 206 A C 2.327 179.836 177.584 -0.126 0.000 1.209 206 A CA 1.923 53.779 52.037 -0.302 0.000 0.639 206 A CB -1.100 17.583 19.000 -0.528 0.000 0.835 206 A HN 0.536 nan 8.150 nan 0.000 0.450 207 I N -0.266 120.153 120.570 -0.252 0.000 2.194 207 I HA -0.317 3.853 4.170 -0.000 0.000 0.246 207 I C 2.457 178.390 176.117 -0.307 0.000 1.093 207 I CA 1.429 62.462 61.300 -0.446 0.000 1.355 207 I CB -0.516 37.036 38.000 -0.746 0.000 1.046 207 I HN 0.330 nan 8.210 nan 0.000 0.413 208 L N -0.499 120.613 121.223 -0.184 0.000 2.042 208 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 208 L C 2.741 179.686 176.870 0.125 0.000 1.076 208 L CA 1.700 56.503 54.840 -0.061 0.000 0.749 208 L CB -0.853 41.186 42.059 -0.033 0.000 0.893 208 L HN 0.275 nan 8.230 nan 0.000 0.432 209 Y N 0.789 121.071 120.300 -0.030 0.000 2.089 209 Y HA -0.271 4.279 4.550 -0.000 0.000 0.282 209 Y C 2.529 178.422 175.900 -0.012 0.000 1.139 209 Y CA 1.555 59.619 58.100 -0.059 0.000 1.123 209 Y CB -0.138 38.269 38.460 -0.088 0.000 0.980 209 Y HN -0.061 nan 8.280 nan 0.000 0.493 210 I N 0.733 121.335 120.570 0.053 0.000 2.163 210 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 210 I C 2.727 178.932 176.117 0.147 0.000 1.085 210 I CA 1.744 63.132 61.300 0.146 0.000 1.347 210 I CB -2.158 35.986 38.000 0.240 0.000 1.044 210 I HN 0.462 nan 8.210 nan 0.000 0.408 211 G N -0.287 108.555 108.800 0.069 0.000 2.450 211 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 211 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 211 G C 1.544 176.431 174.900 -0.022 0.000 1.130 211 G CA 0.178 45.304 45.100 0.043 0.000 0.760 211 G HN 0.392 nan 8.290 nan 0.000 0.557 212 W N 0.621 121.752 121.300 -0.281 0.000 2.465 212 W HA 0.076 4.736 4.660 -0.000 0.000 0.268 212 W C 1.809 178.077 176.519 -0.418 0.000 1.242 212 W CA 0.260 57.382 57.345 -0.372 0.000 1.248 212 W CB -0.392 28.792 29.460 -0.460 0.000 1.118 212 W HN 0.264 nan 8.180 nan 0.000 0.587 213 F N 0.255 120.182 119.950 -0.038 0.000 2.186 213 F HA -0.062 4.465 4.527 0.000 0.000 0.299 213 F C 2.676 178.504 175.800 0.046 0.000 1.090 213 F CA 1.630 59.544 58.000 -0.143 0.000 1.307 213 F CB -1.373 37.366 39.000 -0.435 0.000 1.019 213 F HN -0.172 nan 8.300 nan 0.000 0.489 214 G N -0.186 108.727 108.800 0.189 0.000 2.440 214 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 214 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 214 G C 1.903 176.932 174.900 0.214 0.000 1.154 214 G CA 0.990 46.169 45.100 0.132 0.000 0.767 214 G HN 0.460 nan 8.290 nan 0.000 0.552 215 A N 0.725 123.592 122.820 0.079 0.000 1.929 215 A HA -0.001 4.319 4.320 -0.000 0.000 0.216 215 A C 2.292 180.140 177.584 0.440 0.000 1.176 215 A CA 1.877 53.953 52.037 0.064 0.000 0.628 215 A CB -0.264 18.461 19.000 -0.458 0.000 0.816 215 A HN 0.359 nan 8.150 nan 0.000 0.444 216 N N 0.049 118.989 118.700 0.401 0.000 2.278 216 N HA 0.082 4.822 4.740 -0.000 0.000 0.181 216 N C 1.889 177.693 175.510 0.491 0.000 1.023 216 N CA 1.511 54.840 53.050 0.465 0.000 0.862 216 N CB -0.582 38.112 38.487 0.345 0.000 1.003 216 N HN 0.381 nan 8.380 nan 0.000 0.431 217 A N 0.579 123.666 122.820 0.446 0.000 1.873 217 A HA 0.080 4.400 4.320 -0.000 0.000 0.215 217 A C 2.301 180.169 177.584 0.473 0.000 1.186 217 A CA 1.771 54.130 52.037 0.537 0.000 0.616 217 A CB -1.296 18.140 19.000 0.727 0.000 0.823 217 A HN 0.322 nan 8.150 nan 0.000 0.442 218 G N -0.428 108.518 108.800 0.242 0.000 2.507 218 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.221 218 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.221 218 G C 1.659 176.465 174.900 -0.157 0.000 1.119 218 G CA 1.350 46.381 45.100 -0.115 0.000 0.751 218 G HN 0.481 nan 8.290 nan 0.000 0.574 219 S N 0.701 116.515 115.700 0.191 0.000 2.537 219 S HA 0.098 4.567 4.470 -0.000 0.000 0.240 219 S C 2.520 176.931 174.600 -0.314 0.000 0.981 219 S CA 0.796 58.931 58.200 -0.108 0.000 0.948 219 S CB -0.134 62.946 63.200 -0.201 0.000 0.759 219 S HN 0.625 nan 8.310 nan 0.000 0.531 220 A N 0.691 123.549 122.820 0.064 0.000 2.014 220 A HA 0.384 4.704 4.320 -0.000 0.000 0.218 220 A C 1.990 179.577 177.584 0.006 0.000 1.163 220 A CA 1.174 53.308 52.037 0.161 0.000 0.652 220 A CB -0.855 18.342 19.000 0.329 0.000 0.808 220 A HN 0.876 nan 8.150 nan 0.000 0.449 221 G N -2.373 106.388 108.800 -0.066 0.000 2.179 221 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.260 221 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.260 221 G C 0.439 175.334 174.900 -0.009 0.000 0.977 221 G CA 1.182 46.210 45.100 -0.119 0.000 0.641 221 G HN 1.633 nan 8.290 nan 0.000 0.533 222 T N -1.648 112.960 114.554 0.089 0.000 2.886 222 T HA 0.666 5.016 4.350 -0.000 0.000 0.330 222 T C -0.236 174.401 174.700 -0.105 0.000 1.488 222 T CA 0.640 62.760 62.100 0.033 0.000 1.054 222 T CB 1.119 69.971 68.868 -0.026 0.000 1.348 222 T HN 1.700 nan 8.240 nan 0.000 0.489 223 A N 4.203 126.814 122.820 -0.348 0.000 3.063 223 A HA 0.465 4.785 4.320 -0.000 0.000 0.263 223 A C 0.636 178.004 177.584 -0.360 0.000 1.736 223 A CA -0.424 51.173 52.037 -0.734 0.000 1.408 223 A CB -1.247 17.264 19.000 -0.814 0.000 1.108 223 A HN 0.784 nan 8.150 nan 0.000 0.621 224 N N -0.262 118.302 118.700 -0.226 0.000 2.938 224 N HA 0.132 4.872 4.740 -0.000 0.000 0.335 224 N C 0.971 176.418 175.510 -0.105 0.000 1.358 224 N CA -0.100 52.871 53.050 -0.132 0.000 0.812 224 N CB 0.103 38.548 38.487 -0.070 0.000 1.233 224 N HN 0.245 nan 8.380 nan 0.000 0.593 225 E N -0.162 119.998 120.200 -0.066 0.000 2.204 225 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 225 E C 1.355 177.934 176.600 -0.035 0.000 0.989 225 E CA 0.930 57.299 56.400 -0.051 0.000 0.824 225 E CB -0.214 29.462 29.700 -0.039 0.000 0.756 225 E HN 0.561 nan 8.360 nan 0.000 0.477 226 I N 1.792 122.351 120.570 -0.018 0.000 2.406 226 I HA -0.054 4.116 4.170 -0.000 0.000 0.249 226 I C 2.703 178.834 176.117 0.023 0.000 1.122 226 I CA 1.003 62.291 61.300 -0.020 0.000 1.431 226 I CB -1.540 36.473 38.000 0.023 0.000 1.087 226 I HN 0.115 nan 8.210 nan 0.000 0.424 227 A N 1.299 124.165 122.820 0.077 0.000 1.908 227 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 227 A C 2.582 180.255 177.584 0.148 0.000 1.181 227 A CA 2.113 54.249 52.037 0.166 0.000 0.627 227 A CB -0.752 18.277 19.000 0.048 0.000 0.818 227 A HN 0.404 nan 8.150 nan 0.000 0.445 228 A N -0.659 122.177 122.820 0.027 0.000 1.902 228 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 228 A C 2.138 179.765 177.584 0.073 0.000 1.181 228 A CA 1.717 53.761 52.037 0.013 0.000 0.623 228 A CB -0.580 18.383 19.000 -0.063 0.000 0.818 228 A HN 0.685 nan 8.150 nan 0.000 0.443 229 L N -0.295 120.945 121.223 0.028 0.000 2.056 229 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 229 L C 2.667 179.556 176.870 0.031 0.000 1.078 229 L CA 2.168 57.011 54.840 0.006 0.000 0.749 229 L CB -0.754 41.268 42.059 -0.062 0.000 0.901 229 L HN 0.329 nan 8.230 nan 0.000 0.433 230 A N -1.037 121.796 122.820 0.021 0.000 1.902 230 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 230 A C 2.255 179.963 177.584 0.206 0.000 1.181 230 A CA 1.818 53.881 52.037 0.043 0.000 0.623 230 A CB -1.154 17.890 19.000 0.073 0.000 0.818 230 A HN 0.518 nan 8.150 nan 0.000 0.443 231 F N 0.688 120.735 119.950 0.162 0.000 2.075 231 F HA -0.161 4.366 4.527 -0.000 0.000 0.297 231 F C 2.350 178.276 175.800 0.209 0.000 1.113 231 F CA 1.923 60.080 58.000 0.262 0.000 1.218 231 F CB -0.493 38.612 39.000 0.175 0.000 0.984 231 F HN 0.032 nan 8.300 nan 0.000 0.472 232 V N 0.964 121.158 119.914 0.467 0.000 2.255 232 V HA -0.365 3.755 4.120 -0.000 0.000 0.247 232 V C 2.267 178.471 176.094 0.183 0.000 1.051 232 V CA 2.264 64.741 62.300 0.295 0.000 1.018 232 V CB -0.875 31.041 31.823 0.156 0.000 0.641 232 V HN 0.371 nan 8.190 nan 0.000 0.445 233 N N 0.004 118.772 118.700 0.113 0.000 2.149 233 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 233 N C 1.870 177.392 175.510 0.020 0.000 1.019 233 N CA 1.951 55.026 53.050 0.041 0.000 0.857 233 N CB -0.600 37.886 38.487 -0.002 0.000 0.997 233 N HN 0.486 nan 8.380 nan 0.000 0.426 234 T N 0.807 115.379 114.554 0.030 0.000 2.788 234 T HA -0.045 4.305 4.350 -0.000 0.000 0.268 234 T C 2.155 176.854 174.700 -0.002 0.000 1.044 234 T CA 0.705 62.750 62.100 -0.093 0.000 1.139 234 T CB -0.191 68.516 68.868 -0.268 0.000 0.867 234 T HN -0.009 nan 8.240 nan 0.000 0.454 235 V N 0.905 120.935 119.914 0.193 0.000 2.323 235 V HA -0.119 4.001 4.120 -0.000 0.000 0.244 235 V C 2.613 178.800 176.094 0.154 0.000 1.041 235 V CA 1.173 63.647 62.300 0.290 0.000 1.025 235 V CB -0.521 31.486 31.823 0.307 0.000 0.656 235 V HN 0.296 nan 8.190 nan 0.000 0.451 236 V N 0.394 120.366 119.914 0.096 0.000 2.233 236 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 236 V C 2.705 178.797 176.094 -0.004 0.000 1.050 236 V CA 2.378 64.702 62.300 0.040 0.000 1.010 236 V CB -1.193 30.643 31.823 0.023 0.000 0.637 236 V HN 0.562 nan 8.190 nan 0.000 0.444 237 A N -0.464 122.334 122.820 -0.038 0.000 1.898 237 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 237 A C 2.376 179.903 177.584 -0.094 0.000 1.181 237 A CA 2.390 54.378 52.037 -0.081 0.000 0.620 237 A CB -1.045 17.887 19.000 -0.113 0.000 0.819 237 A HN 0.534 nan 8.150 nan 0.000 0.442 238 T N 0.637 115.128 114.554 -0.105 0.000 2.665 238 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 238 T C 2.201 176.852 174.700 -0.081 0.000 1.035 238 T CA 1.926 63.953 62.100 -0.120 0.000 1.151 238 T CB -0.542 68.290 68.868 -0.060 0.000 0.862 238 T HN 0.616 nan 8.240 nan 0.000 0.438 239 A N 1.427 124.227 122.820 -0.033 0.000 1.902 239 A HA 0.192 4.512 4.320 -0.000 0.000 0.217 239 A C 2.687 180.259 177.584 -0.020 0.000 1.181 239 A CA 1.839 53.860 52.037 -0.026 0.000 0.623 239 A CB -1.172 17.831 19.000 0.006 0.000 0.818 239 A HN 0.521 nan 8.150 nan 0.000 0.443 240 A N -0.045 122.761 122.820 -0.023 0.000 1.908 240 A HA 0.113 4.433 4.320 -0.000 0.000 0.218 240 A C 2.519 180.105 177.584 0.004 0.000 1.181 240 A CA 2.270 54.295 52.037 -0.019 0.000 0.627 240 A CB -1.065 17.911 19.000 -0.040 0.000 0.818 240 A HN 1.075 nan 8.150 nan 0.000 0.445 241 A N -0.098 122.717 122.820 -0.007 0.000 1.902 241 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 241 A C 2.130 179.769 177.584 0.092 0.000 1.181 241 A CA 1.515 53.574 52.037 0.036 0.000 0.623 241 A CB -0.642 18.345 19.000 -0.023 0.000 0.818 241 A HN 0.503 nan 8.150 nan 0.000 0.443 242 I N -0.146 120.436 120.570 0.020 0.000 2.118 242 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 242 I C 2.404 178.589 176.117 0.114 0.000 1.070 242 I CA 1.561 62.878 61.300 0.027 0.000 1.327 242 I CB -0.415 37.563 38.000 -0.036 0.000 1.034 242 I HN 0.312 nan 8.210 nan 0.000 0.405 243 L N 0.139 121.412 121.223 0.083 0.000 2.093 243 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 243 L C 2.702 179.677 176.870 0.174 0.000 1.085 243 L CA 1.442 56.343 54.840 0.103 0.000 0.755 243 L CB -1.324 40.760 42.059 0.042 0.000 0.904 243 L HN 0.330 nan 8.230 nan 0.000 0.435 244 G N -0.375 108.520 108.800 0.160 0.000 2.421 244 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.216 244 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.216 244 G C 1.357 176.430 174.900 0.288 0.000 1.171 244 G CA 0.362 45.577 45.100 0.190 0.000 0.775 244 G HN 0.411 nan 8.290 nan 0.000 0.543 245 W N 1.312 122.674 121.300 0.103 0.000 2.332 245 W HA -0.129 4.531 4.660 -0.001 0.000 0.321 245 W C 2.263 178.855 176.519 0.121 0.000 1.219 245 W CA 1.195 58.601 57.345 0.102 0.000 1.277 245 W CB -0.603 28.893 29.460 0.060 0.000 1.161 245 W HN 0.113 nan 8.180 nan 0.000 0.476 246 I N 0.596 121.471 120.570 0.508 0.000 2.118 246 I HA -0.334 3.836 4.170 -0.000 0.000 0.241 246 I C 2.553 178.851 176.117 0.301 0.000 1.070 246 I CA 1.931 63.447 61.300 0.360 0.000 1.327 246 I CB -1.946 36.192 38.000 0.231 0.000 1.034 246 I HN -0.031 nan 8.210 nan 0.000 0.405 247 F N 1.835 121.885 119.950 0.166 0.000 2.161 247 F HA -0.149 4.378 4.527 -0.000 0.000 0.300 247 F C 2.357 178.317 175.800 0.266 0.000 1.089 247 F CA 1.812 59.913 58.000 0.169 0.000 1.282 247 F CB -0.637 38.406 39.000 0.071 0.000 1.010 247 F HN 0.042 nan 8.300 nan 0.000 0.485 248 G N -0.448 108.455 108.800 0.171 0.000 2.402 248 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.216 248 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.216 248 G C 1.524 176.364 174.900 -0.100 0.000 1.162 248 G CA 0.718 45.820 45.100 0.003 0.000 0.777 248 G HN 0.504 nan 8.290 nan 0.000 0.539 249 E N -0.569 119.615 120.200 -0.027 0.000 2.077 249 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 249 E C 2.061 178.666 176.600 0.008 0.000 0.989 249 E CA 1.065 57.467 56.400 0.003 0.000 0.800 249 E CB -0.356 29.439 29.700 0.159 0.000 0.746 249 E HN 0.589 nan 8.360 nan 0.000 0.452 250 W N 0.919 122.131 121.300 -0.148 0.000 2.374 250 W HA -0.146 4.514 4.660 -0.000 0.000 0.288 250 W C 1.950 178.311 176.519 -0.264 0.000 1.218 250 W CA 2.055 59.292 57.345 -0.179 0.000 1.245 250 W CB -0.203 29.153 29.460 -0.172 0.000 1.126 250 W HN 0.171 nan 8.180 nan 0.000 0.545 251 A N 0.157 122.745 122.820 -0.388 0.000 1.874 251 A HA -0.062 4.258 4.320 -0.000 0.000 0.214 251 A C 2.014 179.340 177.584 -0.430 0.000 1.189 251 A CA 1.428 53.090 52.037 -0.625 0.000 0.615 251 A CB -0.932 17.808 19.000 -0.433 0.000 0.830 251 A HN 0.363 nan 8.150 nan 0.000 0.443 252 L N -1.460 119.602 121.223 -0.267 0.000 2.027 252 L HA -0.056 4.284 4.340 -0.000 0.000 0.206 252 L C 2.571 179.329 176.870 -0.186 0.000 1.074 252 L CA 1.406 56.134 54.840 -0.187 0.000 0.745 252 L CB -0.090 41.889 42.059 -0.134 0.000 0.898 252 L HN 0.255 nan 8.230 nan 0.000 0.433 253 R N -1.546 118.844 120.500 -0.183 0.000 2.397 253 R HA 0.200 4.539 4.340 -0.000 0.000 0.241 253 R C 1.173 177.366 176.300 -0.178 0.000 0.914 253 R CA 0.592 56.609 56.100 -0.138 0.000 1.071 253 R CB 0.859 31.120 30.300 -0.064 0.000 1.116 253 R HN 0.364 nan 8.270 nan 0.000 0.524 254 G N 1.807 110.413 108.800 -0.323 0.000 2.234 254 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.260 254 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.260 254 G C -0.072 174.697 174.900 -0.219 0.000 0.987 254 G CA 0.870 45.733 45.100 -0.396 0.000 0.625 254 G HN 0.399 nan 8.290 nan 0.000 0.532 255 K N -0.557 119.808 120.400 -0.059 0.000 2.572 255 K HA 0.590 4.910 4.320 -0.000 0.000 0.263 255 K C -3.389 173.288 176.600 0.129 0.000 0.932 255 K CA -1.750 54.601 56.287 0.108 0.000 0.838 255 K CB 2.647 35.190 32.500 0.072 0.000 1.366 255 K HN 0.027 nan 8.250 nan 0.000 0.425 256 P HA 0.009 nan 4.420 nan 0.000 0.272 256 P C -0.684 176.678 177.300 0.103 0.000 1.223 256 P CA -0.149 63.044 63.100 0.155 0.000 0.784 256 P CB 1.140 32.924 31.700 0.140 0.000 0.923 257 S N 0.808 116.570 115.700 0.104 0.000 2.632 257 S HA 0.298 4.768 4.470 -0.000 0.000 0.289 257 S C 0.735 175.350 174.600 0.024 0.000 1.115 257 S CA -0.731 57.504 58.200 0.058 0.000 0.889 257 S CB 1.069 64.310 63.200 0.069 0.000 1.116 257 S HN 0.244 nan 8.310 nan 0.000 0.486 258 L N 0.817 122.032 121.223 -0.013 0.000 2.093 258 L HA 0.147 4.487 4.340 -0.000 0.000 0.208 258 L C 1.980 178.825 176.870 -0.041 0.000 1.085 258 L CA 1.645 56.459 54.840 -0.044 0.000 0.755 258 L CB -1.055 40.960 42.059 -0.073 0.000 0.904 258 L HN 0.824 nan 8.230 nan 0.000 0.435 259 L N -0.425 120.779 121.223 -0.033 0.000 2.109 259 L HA 0.100 4.439 4.340 -0.000 0.000 0.207 259 L C 2.286 179.090 176.870 -0.110 0.000 1.086 259 L CA 1.866 56.672 54.840 -0.056 0.000 0.760 259 L CB -1.420 40.623 42.059 -0.027 0.000 0.910 259 L HN 0.280 nan 8.230 nan 0.000 0.437 260 G N -0.885 107.899 108.800 -0.026 0.000 2.421 260 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 260 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 260 G C 1.602 176.187 174.900 -0.525 0.000 1.171 260 G CA 0.864 45.916 45.100 -0.080 0.000 0.775 260 G HN 0.605 nan 8.290 nan 0.000 0.543 261 A N 0.215 122.920 122.820 -0.192 0.000 1.858 261 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 261 A C 2.600 180.041 177.584 -0.237 0.000 1.190 261 A CA 1.900 53.835 52.037 -0.170 0.000 0.617 261 A CB -1.136 17.831 19.000 -0.055 0.000 0.827 261 A HN 0.438 nan 8.150 nan 0.000 0.443 262 C N -0.428 118.778 119.300 -0.156 0.000 2.413 262 C HA -0.081 4.379 4.460 -0.000 0.000 0.277 262 C C 3.243 178.087 174.990 -0.242 0.000 1.265 262 C CA 1.345 60.300 59.018 -0.105 0.000 1.752 262 C CB -1.401 26.349 27.740 0.017 0.000 1.998 262 C HN 0.619 nan 8.230 nan 0.000 0.489 263 S N 0.628 116.030 115.700 -0.497 0.000 2.383 263 S HA -0.022 4.448 4.470 -0.000 0.000 0.227 263 S C 2.123 176.120 174.600 -1.006 0.000 1.026 263 S CA 1.327 59.048 58.200 -0.797 0.000 0.981 263 S CB -0.641 61.822 63.200 -1.228 0.000 0.818 263 S HN 0.759 nan 8.310 nan 0.000 0.472 264 G N 1.848 110.003 108.800 -1.076 0.000 2.459 264 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 264 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 264 G C 1.618 176.366 174.900 -0.253 0.000 1.183 264 G CA 1.037 45.867 45.100 -0.449 0.000 0.776 264 G HN 0.576 nan 8.290 nan 0.000 0.552 265 A N 0.886 123.544 122.820 -0.270 0.000 1.892 265 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 265 A C 2.398 179.802 177.584 -0.300 0.000 1.188 265 A CA 1.700 53.586 52.037 -0.251 0.000 0.631 265 A CB -0.367 18.482 19.000 -0.252 0.000 0.822 265 A HN 0.322 nan 8.150 nan 0.000 0.447 266 I N -0.219 120.175 120.570 -0.294 0.000 2.179 266 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 266 I C 3.025 178.931 176.117 -0.351 0.000 1.088 266 I CA 1.512 62.618 61.300 -0.323 0.000 1.357 266 I CB -1.623 36.233 38.000 -0.240 0.000 1.051 266 I HN 0.389 nan 8.210 nan 0.000 0.409 267 A N 1.115 123.796 122.820 -0.231 0.000 1.917 267 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 267 A C 2.461 179.939 177.584 -0.176 0.000 1.182 267 A CA 2.289 54.258 52.037 -0.113 0.000 0.633 267 A CB -1.366 17.717 19.000 0.137 0.000 0.819 267 A HN 0.476 nan 8.150 nan 0.000 0.448 268 G N -1.017 107.662 108.800 -0.201 0.000 2.464 268 G HA2 0.053 4.013 3.960 -0.000 0.000 0.217 268 G HA3 0.053 4.013 3.960 -0.000 0.000 0.217 268 G C 1.521 176.202 174.900 -0.366 0.000 1.138 268 G CA 0.686 45.657 45.100 -0.216 0.000 0.793 268 G HN 0.413 nan 8.290 nan 0.000 0.539 269 L N 0.302 121.171 121.223 -0.589 0.000 2.046 269 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 269 L C 2.959 179.278 176.870 -0.919 0.000 1.077 269 L CA 0.581 54.771 54.840 -1.084 0.000 0.747 269 L CB -0.356 40.597 42.059 -1.842 0.000 0.896 269 L HN 0.090 nan 8.230 nan 0.000 0.432 270 V N -0.123 119.390 119.914 -0.669 0.000 2.244 270 V HA -0.198 3.922 4.120 -0.000 0.000 0.244 270 V C 2.634 178.567 176.094 -0.269 0.000 1.042 270 V CA 2.011 64.011 62.300 -0.499 0.000 1.006 270 V CB -1.385 30.117 31.823 -0.534 0.000 0.641 270 V HN 0.558 nan 8.190 nan 0.000 0.446 271 G N -0.734 107.943 108.800 -0.204 0.000 2.503 271 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.221 271 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.221 271 G C 1.708 176.572 174.900 -0.060 0.000 1.131 271 G CA 1.376 46.417 45.100 -0.098 0.000 0.756 271 G HN 0.400 nan 8.290 nan 0.000 0.572 272 V N 0.306 120.151 119.914 -0.114 0.000 3.129 272 V HA -0.019 4.101 4.120 -0.000 0.000 0.259 272 V C 2.876 179.002 176.094 0.053 0.000 1.116 272 V CA 2.079 64.344 62.300 -0.058 0.000 1.127 272 V CB -0.433 31.315 31.823 -0.126 0.000 0.742 272 V HN 0.398 nan 8.190 nan 0.000 0.474 273 T N 2.098 116.709 114.554 0.095 0.000 2.570 273 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 273 T C -0.177 174.761 174.700 0.396 0.000 1.071 273 T CA 2.336 64.632 62.100 0.326 0.000 1.172 273 T CB -1.350 67.795 68.868 0.461 0.000 0.864 273 T HN 0.537 nan 8.240 nan 0.000 0.421 274 P HA 0.063 nan 4.420 nan 0.000 0.222 274 P C 0.969 178.543 177.300 0.457 0.000 1.147 274 P CA 1.217 64.572 63.100 0.425 0.000 0.790 274 P CB -0.072 31.822 31.700 0.324 0.000 0.780 275 A N -0.078 122.927 122.820 0.309 0.000 2.063 275 A HA -0.028 4.292 4.320 -0.000 0.000 0.211 275 A C 2.455 180.108 177.584 0.115 0.000 1.177 275 A CA 0.858 53.059 52.037 0.273 0.000 0.759 275 A CB -1.644 17.459 19.000 0.171 0.000 0.857 275 A HN 0.387 nan 8.150 nan 0.000 0.468 276 C N -1.066 118.257 119.300 0.040 0.000 2.396 276 C HA -0.035 4.425 4.460 -0.000 0.000 0.277 276 C C 2.497 177.261 174.990 -0.377 0.000 1.231 276 C CA 0.744 59.706 59.018 -0.093 0.000 1.775 276 C CB -1.796 25.946 27.740 0.003 0.000 2.036 276 C HN 0.516 nan 8.230 nan 0.000 0.484 277 G N -1.972 106.229 108.800 -0.997 0.000 2.920 277 G HA2 0.187 4.147 3.960 -0.000 0.000 0.208 277 G HA3 0.187 4.147 3.960 -0.000 0.000 0.208 277 G C 0.931 175.250 174.900 -0.968 0.000 1.159 277 G CA 0.501 44.573 45.100 -1.715 0.000 0.784 277 G HN 0.687 nan 8.290 nan 0.000 0.535 278 Y N -0.146 120.000 120.300 -0.255 0.000 2.426 278 Y HA 0.380 4.930 4.550 -0.000 0.000 0.249 278 Y C 1.101 176.968 175.900 -0.056 0.000 1.103 278 Y CA -1.464 56.586 58.100 -0.084 0.000 1.256 278 Y CB 0.282 38.759 38.460 0.027 0.000 1.208 278 Y HN 0.207 nan 8.280 nan 0.000 0.519 279 I N -2.017 118.599 120.570 0.077 0.000 2.863 279 I HA 0.910 5.080 4.170 -0.000 0.000 0.311 279 I C 0.570 176.707 176.117 0.033 0.000 1.026 279 I CA -1.240 60.109 61.300 0.082 0.000 1.077 279 I CB 1.554 39.622 38.000 0.113 0.000 1.262 279 I HN -0.012 nan 8.210 nan 0.000 0.461 280 G N 1.133 109.965 108.800 0.054 0.000 2.528 280 G HA2 0.404 4.363 3.960 -0.000 0.000 0.289 280 G HA3 0.404 4.363 3.960 -0.000 0.000 0.289 280 G C 0.874 175.786 174.900 0.020 0.000 1.192 280 G CA -0.149 44.971 45.100 0.034 0.000 0.921 280 G HN 0.909 nan 8.290 nan 0.000 0.512 281 V N -0.769 119.152 119.914 0.013 0.000 2.515 281 V HA 0.031 4.151 4.120 -0.000 0.000 0.250 281 V C 2.597 178.684 176.094 -0.012 0.000 1.058 281 V CA 2.106 64.406 62.300 0.001 0.000 1.064 281 V CB -1.345 30.484 31.823 0.010 0.000 0.675 281 V HN 0.778 nan 8.190 nan 0.000 0.461 282 G N 1.295 110.099 108.800 0.008 0.000 2.553 282 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 282 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 282 G C 1.598 176.472 174.900 -0.043 0.000 1.195 282 G CA 1.308 46.415 45.100 0.012 0.000 0.779 282 G HN 0.792 nan 8.290 nan 0.000 0.577 283 G N 0.998 109.783 108.800 -0.026 0.000 2.440 283 G HA2 0.025 3.985 3.960 -0.000 0.000 0.218 283 G HA3 0.025 3.985 3.960 -0.000 0.000 0.218 283 G C 2.084 176.782 174.900 -0.337 0.000 1.154 283 G CA 1.624 46.560 45.100 -0.273 0.000 0.767 283 G HN 0.755 nan 8.290 nan 0.000 0.552 284 A N 0.368 123.097 122.820 -0.152 0.000 1.908 284 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 284 A C 2.398 179.894 177.584 -0.146 0.000 1.181 284 A CA 1.565 53.525 52.037 -0.129 0.000 0.627 284 A CB -0.428 18.536 19.000 -0.061 0.000 0.818 284 A HN 0.417 nan 8.150 nan 0.000 0.445 285 L N -0.520 120.629 121.223 -0.125 0.000 2.027 285 L HA -0.100 4.240 4.340 -0.000 0.000 0.206 285 L C 2.381 179.167 176.870 -0.139 0.000 1.074 285 L CA 1.445 56.224 54.840 -0.102 0.000 0.745 285 L CB -0.222 41.798 42.059 -0.065 0.000 0.898 285 L HN 0.426 nan 8.230 nan 0.000 0.433 286 I N -0.314 120.131 120.570 -0.210 0.000 2.226 286 I HA -0.345 3.825 4.170 -0.000 0.000 0.245 286 I C 2.349 178.306 176.117 -0.267 0.000 1.100 286 I CA 1.484 62.640 61.300 -0.241 0.000 1.374 286 I CB -0.242 37.566 38.000 -0.320 0.000 1.057 286 I HN 0.270 nan 8.210 nan 0.000 0.413 287 I N 0.548 120.904 120.570 -0.356 0.000 2.179 287 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 287 I C 2.721 178.756 176.117 -0.136 0.000 1.088 287 I CA 1.581 62.735 61.300 -0.244 0.000 1.357 287 I CB -0.959 36.898 38.000 -0.239 0.000 1.051 287 I HN 0.262 nan 8.210 nan 0.000 0.409 288 G N 0.811 109.536 108.800 -0.125 0.000 2.491 288 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 288 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 288 G C 1.692 176.567 174.900 -0.041 0.000 1.180 288 G CA 1.227 46.278 45.100 -0.083 0.000 0.774 288 G HN 0.239 nan 8.290 nan 0.000 0.562 289 V N 0.603 120.489 119.914 -0.046 0.000 2.231 289 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 289 V C 3.057 179.151 176.094 0.001 0.000 1.054 289 V CA 1.844 64.134 62.300 -0.016 0.000 1.015 289 V CB -0.863 30.938 31.823 -0.037 0.000 0.638 289 V HN 0.253 nan 8.190 nan 0.000 0.444 290 V N 0.276 120.175 119.914 -0.026 0.000 2.490 290 V HA -0.242 3.878 4.120 -0.000 0.000 0.250 290 V C 2.651 178.747 176.094 0.004 0.000 1.061 290 V CA 1.922 64.213 62.300 -0.014 0.000 1.064 290 V CB -1.232 30.576 31.823 -0.025 0.000 0.670 290 V HN 0.565 nan 8.190 nan 0.000 0.461 291 A N 0.610 123.430 122.820 -0.001 0.000 1.898 291 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 291 A C 2.436 180.077 177.584 0.094 0.000 1.181 291 A CA 1.762 53.812 52.037 0.020 0.000 0.620 291 A CB -1.182 17.802 19.000 -0.026 0.000 0.819 291 A HN 0.498 nan 8.150 nan 0.000 0.442 292 G N -0.003 108.869 108.800 0.119 0.000 2.421 292 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 292 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 292 G C 1.576 176.598 174.900 0.204 0.000 1.171 292 G CA 1.125 46.385 45.100 0.267 0.000 0.775 292 G HN 0.416 nan 8.290 nan 0.000 0.543 293 L N 0.761 122.041 121.223 0.095 0.000 2.017 293 L HA -0.047 4.292 4.340 -0.000 0.000 0.208 293 L C 3.432 180.315 176.870 0.021 0.000 1.073 293 L CA 1.167 56.022 54.840 0.025 0.000 0.745 293 L CB -0.437 41.648 42.059 0.043 0.000 0.894 293 L HN 0.295 nan 8.230 nan 0.000 0.432 294 A N 0.210 123.065 122.820 0.059 0.000 1.933 294 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 294 A C 2.405 180.115 177.584 0.210 0.000 1.175 294 A CA 1.763 53.866 52.037 0.109 0.000 0.628 294 A CB -1.322 17.703 19.000 0.042 0.000 0.814 294 A HN 0.459 nan 8.150 nan 0.000 0.444 295 G N -0.077 108.828 108.800 0.176 0.000 2.421 295 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.216 295 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.216 295 G C 1.482 176.380 174.900 -0.004 0.000 1.171 295 G CA 1.245 46.507 45.100 0.271 0.000 0.775 295 G HN 0.531 nan 8.290 nan 0.000 0.543 296 L N -0.238 120.612 121.223 -0.621 0.000 2.012 296 L HA 0.004 4.344 4.340 -0.000 0.000 0.210 296 L C 2.440 179.101 176.870 -0.349 0.000 1.073 296 L CA 1.963 56.134 54.840 -1.115 0.000 0.748 296 L CB -0.972 40.311 42.059 -1.294 0.000 0.891 296 L HN 0.464 nan 8.230 nan 0.000 0.431 297 W N 0.608 121.746 121.300 -0.270 0.000 2.318 297 W HA -0.135 4.525 4.660 -0.001 0.000 0.313 297 W C 2.257 178.742 176.519 -0.056 0.000 1.221 297 W CA 2.730 59.999 57.345 -0.126 0.000 1.266 297 W CB -0.913 28.505 29.460 -0.071 0.000 1.150 297 W HN 0.247 nan 8.180 nan 0.000 0.496 298 G N 0.656 109.491 108.800 0.057 0.000 2.514 298 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.217 298 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.217 298 G C 1.444 176.232 174.900 -0.186 0.000 1.198 298 G CA 2.590 47.611 45.100 -0.131 0.000 0.780 298 G HN 0.685 nan 8.290 nan 0.000 0.565 299 V N -1.442 118.449 119.914 -0.039 0.000 3.305 299 V HA 0.055 4.175 4.120 -0.000 0.000 0.269 299 V C 2.175 178.223 176.094 -0.078 0.000 1.157 299 V CA 2.257 64.567 62.300 0.016 0.000 1.157 299 V CB -0.670 31.262 31.823 0.182 0.000 0.772 299 V HN 0.222 nan 8.190 nan 0.000 0.498 300 T N 0.933 115.365 114.554 -0.203 0.000 3.081 300 T HA 0.342 4.692 4.350 -0.000 0.000 0.255 300 T C 0.768 175.293 174.700 -0.290 0.000 1.113 300 T CA 0.594 62.562 62.100 -0.219 0.000 1.082 300 T CB -0.091 68.644 68.868 -0.222 0.000 0.939 300 T HN 0.341 nan 8.240 nan 0.000 0.506 310 D N 3.861 124.283 120.400 0.038 0.000 2.542 310 D HA 0.409 5.049 4.640 -0.000 0.000 0.252 310 D C -2.538 173.811 176.300 0.083 0.000 1.222 310 D CA -1.627 52.420 54.000 0.077 0.000 0.895 310 D CB 2.240 43.121 40.800 0.135 0.000 1.207 310 D HN 0.025 nan 8.370 nan 0.000 0.558 311 P HA 0.154 nan 4.420 nan 0.000 0.282 311 P C 0.010 177.390 177.300 0.134 0.000 1.274 311 P CA -0.273 62.861 63.100 0.057 0.000 0.770 311 P CB 0.598 32.293 31.700 -0.008 0.000 0.867 312 C N 2.392 121.785 119.300 0.157 0.000 4.165 312 C HA -0.155 4.305 4.460 -0.000 0.000 0.299 312 C C 0.718 175.868 174.990 0.267 0.000 1.445 312 C CA 0.780 59.945 59.018 0.246 0.000 2.029 312 C CB -3.224 24.775 27.740 0.432 0.000 1.288 312 C HN 0.749 nan 8.230 nan 0.000 0.752 313 D N -2.017 118.512 120.400 0.215 0.000 2.737 313 D HA -0.192 4.448 4.640 -0.000 0.000 0.233 313 D C 0.937 177.412 176.300 0.292 0.000 1.155 313 D CA 1.094 55.235 54.000 0.235 0.000 0.667 313 D CB -0.815 40.120 40.800 0.225 0.000 1.060 313 D HN 0.647 nan 8.370 nan 0.000 0.427 314 V N -0.625 119.466 119.914 0.294 0.000 2.427 314 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 314 V C 1.901 178.214 176.094 0.364 0.000 1.051 314 V CA 1.982 64.468 62.300 0.309 0.000 1.048 314 V CB -0.283 31.665 31.823 0.209 0.000 0.666 314 V HN 0.365 nan 8.190 nan 0.000 0.456 315 F N 1.529 121.600 119.950 0.203 0.000 2.234 315 F HA 0.149 4.676 4.527 0.001 0.000 0.296 315 F C 2.164 178.097 175.800 0.222 0.000 1.089 315 F CA 1.492 59.618 58.000 0.209 0.000 1.343 315 F CB -0.773 38.321 39.000 0.156 0.000 1.040 315 F HN 0.201 nan 8.300 nan 0.000 0.498 316 G N -0.387 108.589 108.800 0.293 0.000 2.479 316 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.220 316 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.220 316 G C 1.357 176.357 174.900 0.168 0.000 1.115 316 G CA 1.505 46.725 45.100 0.201 0.000 0.757 316 G HN 0.366 nan 8.290 nan 0.000 0.560 317 V N -1.203 118.826 119.914 0.191 0.000 2.870 317 V HA 0.097 4.216 4.120 -0.000 0.000 0.232 317 V C 2.173 178.294 176.094 0.046 0.000 1.161 317 V CA 0.551 62.941 62.300 0.150 0.000 1.204 317 V CB -0.659 31.265 31.823 0.169 0.000 1.003 317 V HN 0.304 nan 8.190 nan 0.000 0.499 318 H N 0.815 119.945 119.070 0.099 0.000 2.319 318 H HA -0.111 4.445 4.556 -0.000 0.000 0.299 318 H C 2.293 177.642 175.328 0.035 0.000 1.092 318 H CA 1.897 58.032 56.048 0.145 0.000 1.302 318 H CB -0.352 29.573 29.762 0.271 0.000 1.373 318 H HN 0.491 nan 8.280 nan 0.000 0.497 319 G N 0.696 109.462 108.800 -0.057 0.000 2.484 319 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.215 319 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.215 319 G C 1.965 176.581 174.900 -0.473 0.000 1.219 319 G CA 1.296 46.082 45.100 -0.523 0.000 0.791 319 G HN 0.225 nan 8.290 nan 0.000 0.550 320 V N 0.702 120.304 119.914 -0.520 0.000 2.231 320 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 320 V C 3.121 179.188 176.094 -0.044 0.000 1.054 320 V CA 2.052 64.250 62.300 -0.171 0.000 1.015 320 V CB -0.890 30.954 31.823 0.035 0.000 0.638 320 V HN 0.536 nan 8.190 nan 0.000 0.444 321 C N 0.712 119.997 119.300 -0.026 0.000 2.435 321 C HA 0.009 4.468 4.460 -0.000 0.000 0.279 321 C C 2.894 177.874 174.990 -0.017 0.000 1.321 321 C CA 0.367 59.374 59.018 -0.019 0.000 1.752 321 C CB -1.808 25.904 27.740 -0.047 0.000 1.959 321 C HN 0.711 nan 8.230 nan 0.000 0.500 322 G N 0.965 109.770 108.800 0.009 0.000 2.446 322 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.217 322 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.217 322 G C 1.461 176.413 174.900 0.086 0.000 1.168 322 G CA 0.899 46.051 45.100 0.087 0.000 0.771 322 G HN 0.530 nan 8.290 nan 0.000 0.551 323 I N 0.198 120.803 120.570 0.058 0.000 2.179 323 I HA -0.162 4.008 4.170 -0.000 0.000 0.242 323 I C 2.822 178.976 176.117 0.061 0.000 1.088 323 I CA 0.541 61.883 61.300 0.070 0.000 1.357 323 I CB -0.311 37.730 38.000 0.067 0.000 1.051 323 I HN 0.032 nan 8.210 nan 0.000 0.409 324 V N 1.052 120.990 119.914 0.039 0.000 2.287 324 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 324 V C 2.560 178.685 176.094 0.052 0.000 1.053 324 V CA 2.318 64.639 62.300 0.035 0.000 1.027 324 V CB -1.490 30.342 31.823 0.014 0.000 0.646 324 V HN 0.603 nan 8.190 nan 0.000 0.447 325 G N -1.318 107.511 108.800 0.049 0.000 2.433 325 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 325 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 325 G C 1.765 176.735 174.900 0.116 0.000 1.186 325 G CA 1.330 46.471 45.100 0.070 0.000 0.779 325 G HN 0.532 nan 8.290 nan 0.000 0.543 326 C N 0.448 119.821 119.300 0.121 0.000 2.432 326 C HA 0.035 4.495 4.460 -0.000 0.000 0.277 326 C C 2.864 177.924 174.990 0.117 0.000 1.249 326 C CA 0.506 59.603 59.018 0.132 0.000 1.725 326 C CB -1.015 26.798 27.740 0.120 0.000 2.028 326 C HN 0.464 nan 8.230 nan 0.000 0.477 327 I N 0.423 121.052 120.570 0.099 0.000 2.163 327 I HA -0.288 3.881 4.170 -0.000 0.000 0.243 327 I C 2.551 178.747 176.117 0.131 0.000 1.085 327 I CA 1.802 63.157 61.300 0.092 0.000 1.347 327 I CB -0.488 37.555 38.000 0.072 0.000 1.044 327 I HN 0.360 nan 8.210 nan 0.000 0.408 328 M N -0.178 119.515 119.600 0.156 0.000 2.374 328 M HA -0.130 4.350 4.480 -0.000 0.000 0.264 328 M C 2.191 178.682 176.300 0.318 0.000 1.067 328 M CA 1.387 56.837 55.300 0.251 0.000 1.103 328 M CB -0.506 32.210 32.600 0.195 0.000 1.402 328 M HN 0.260 nan 8.290 nan 0.000 0.444 329 T N 0.300 114.996 114.554 0.235 0.000 2.746 329 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 329 T C 1.773 176.621 174.700 0.247 0.000 1.039 329 T CA 1.625 63.874 62.100 0.248 0.000 1.142 329 T CB -0.674 68.336 68.868 0.236 0.000 0.866 329 T HN 0.634 nan 8.240 nan 0.000 0.444 330 G N 0.450 109.375 108.800 0.208 0.000 2.564 330 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.216 330 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.216 330 G C 1.289 176.364 174.900 0.291 0.000 1.124 330 G CA 0.461 45.688 45.100 0.213 0.000 0.764 330 G HN 0.513 nan 8.290 nan 0.000 0.550 331 I N -1.936 118.780 120.570 0.243 0.000 3.136 331 I HA 0.238 4.408 4.170 -0.000 0.000 0.262 331 I C 1.546 177.629 176.117 -0.057 0.000 1.132 331 I CA 0.102 61.461 61.300 0.098 0.000 1.450 331 I CB 0.100 38.058 38.000 -0.070 0.000 1.315 331 I HN -0.007 nan 8.210 nan 0.000 0.460 332 F N 1.349 121.344 119.950 0.075 0.000 2.797 332 F HA 0.214 4.740 4.527 -0.000 0.000 0.302 332 F C 2.297 178.057 175.800 -0.067 0.000 1.130 332 F CA 0.435 58.439 58.000 0.007 0.000 1.387 332 F CB -0.184 38.831 39.000 0.024 0.000 1.107 332 F HN -0.031 nan 8.300 nan 0.000 0.577 333 A N 0.346 123.154 122.820 -0.020 0.000 2.119 333 A HA 0.329 4.649 4.320 -0.000 0.000 0.216 333 A C 1.603 178.823 177.584 -0.607 0.000 1.152 333 A CA 0.506 52.418 52.037 -0.208 0.000 0.708 333 A CB -0.857 18.030 19.000 -0.188 0.000 0.805 333 A HN 0.134 nan 8.150 nan 0.000 0.460 334 A N 0.382 122.689 122.820 -0.855 0.000 2.567 334 A HA 0.337 4.657 4.320 -0.000 0.000 0.240 334 A C 1.455 178.837 177.584 -0.337 0.000 1.053 334 A CA 0.478 52.037 52.037 -0.798 0.000 0.755 334 A CB 0.006 18.814 19.000 -0.320 0.000 0.978 334 A HN 0.472 nan 8.150 nan 0.000 0.507 335 S N 2.309 117.859 115.700 -0.250 0.000 2.383 335 S HA -0.186 4.284 4.470 -0.000 0.000 0.229 335 S C 2.180 176.738 174.600 -0.070 0.000 1.030 335 S CA 1.730 59.862 58.200 -0.113 0.000 1.002 335 S CB -0.374 62.786 63.200 -0.067 0.000 0.829 335 S HN 0.900 nan 8.310 nan 0.000 0.467 336 S N 2.354 118.015 115.700 -0.065 0.000 2.374 336 S HA -0.032 4.438 4.470 -0.000 0.000 0.227 336 S C 1.488 176.062 174.600 -0.044 0.000 1.037 336 S CA 1.077 59.253 58.200 -0.040 0.000 1.024 336 S CB -0.481 62.702 63.200 -0.028 0.000 0.861 336 S HN 0.447 nan 8.310 nan 0.000 0.456 337 L N 0.712 121.891 121.223 -0.074 0.000 2.653 337 L HA 0.328 4.668 4.340 -0.000 0.000 0.231 337 L C 1.610 178.503 176.870 0.039 0.000 1.153 337 L CA 0.332 55.144 54.840 -0.047 0.000 0.933 337 L CB -0.431 41.513 42.059 -0.192 0.000 1.175 337 L HN 0.556 nan 8.230 nan 0.000 0.473 338 G N -0.208 108.595 108.800 0.005 0.000 2.176 338 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.232 338 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.232 338 G C 0.564 175.470 174.900 0.010 0.000 0.986 338 G CA -0.234 44.879 45.100 0.021 0.000 0.643 338 G HN 0.497 nan 8.290 nan 0.000 0.522 339 G N -0.602 108.184 108.800 -0.023 0.000 2.588 339 G HA2 0.555 4.515 3.960 -0.000 0.000 0.278 339 G HA3 0.555 4.515 3.960 -0.000 0.000 0.278 339 G C 1.517 176.392 174.900 -0.042 0.000 1.307 339 G CA 0.942 46.023 45.100 -0.032 0.000 1.016 339 G HN 1.297 nan 8.290 nan 0.000 0.503 340 V N -2.362 117.546 119.914 -0.011 0.000 2.970 340 V HA 0.437 4.557 4.120 -0.000 0.000 0.260 340 V C 1.221 177.300 176.094 -0.026 0.000 1.100 340 V CA 0.757 63.064 62.300 0.011 0.000 1.122 340 V CB -1.513 30.364 31.823 0.091 0.000 0.721 340 V HN 2.216 nan 8.190 nan 0.000 0.483 341 G N -0.546 108.176 108.800 -0.131 0.000 2.784 341 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.686 341 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.686 341 G C -0.796 174.007 174.900 -0.162 0.000 1.156 341 G CA -0.527 44.465 45.100 -0.179 0.000 0.757 341 G HN 0.348 nan 8.290 nan 0.000 0.642 342 F N 1.352 121.315 119.950 0.022 0.000 2.490 342 F HA 0.557 5.084 4.527 -0.000 0.000 0.336 342 F C 1.553 177.366 175.800 0.022 0.000 1.178 342 F CA 0.600 58.605 58.000 0.008 0.000 1.301 342 F CB 0.349 39.354 39.000 0.008 0.000 1.175 342 F HN 0.986 nan 8.300 nan 0.000 0.593 343 A N 1.198 124.162 122.820 0.240 0.000 2.475 343 A HA 0.047 4.367 4.320 -0.000 0.000 0.239 343 A C 0.346 178.005 177.584 0.126 0.000 1.087 343 A CA -0.463 51.661 52.037 0.145 0.000 0.779 343 A CB -0.256 18.811 19.000 0.113 0.000 1.036 343 A HN 0.767 nan 8.150 nan 0.000 0.506 344 E N -0.508 119.741 120.200 0.082 0.000 2.452 344 E HA 0.299 4.649 4.350 -0.000 0.000 0.261 344 E C 1.239 177.863 176.600 0.040 0.000 0.987 344 E CA 1.109 57.544 56.400 0.058 0.000 0.926 344 E CB 0.185 29.907 29.700 0.038 0.000 0.934 344 E HN 1.299 nan 8.360 nan 0.000 0.452 345 G N 1.906 110.722 108.800 0.026 0.000 2.168 345 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.263 345 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.263 345 G C 0.147 175.031 174.900 -0.028 0.000 0.977 345 G CA 0.323 45.418 45.100 -0.008 0.000 0.659 345 G HN 0.387 nan 8.290 nan 0.000 0.533 346 V N 2.106 122.028 119.914 0.014 0.000 2.370 346 V HA 0.645 4.765 4.120 -0.000 0.000 0.283 346 V C 0.913 176.950 176.094 -0.095 0.000 1.023 346 V CA -0.062 62.231 62.300 -0.012 0.000 0.857 346 V CB 1.235 33.080 31.823 0.037 0.000 0.985 346 V HN 0.652 nan 8.190 nan 0.000 0.443 347 T N 1.806 116.276 114.554 -0.140 0.000 2.874 347 T HA 0.351 4.701 4.350 -0.000 0.000 0.281 347 T C 1.146 175.544 174.700 -0.503 0.000 0.994 347 T CA -0.516 61.466 62.100 -0.198 0.000 1.015 347 T CB 1.250 70.063 68.868 -0.093 0.000 1.028 347 T HN 0.561 nan 8.240 nan 0.000 0.523 348 M N 1.176 120.491 119.600 -0.475 0.000 2.213 348 M HA 0.027 4.507 4.480 -0.000 0.000 0.263 348 M C 2.140 178.271 176.300 -0.282 0.000 1.062 348 M CA 2.086 57.072 55.300 -0.523 0.000 1.105 348 M CB -1.040 31.529 32.600 -0.051 0.000 1.385 348 M HN 0.962 nan 8.290 nan 0.000 0.417 349 G N -0.646 108.060 108.800 -0.157 0.000 2.511 349 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.216 349 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.216 349 G C 1.150 175.999 174.900 -0.085 0.000 1.218 349 G CA 1.613 46.662 45.100 -0.084 0.000 0.788 349 G HN 0.646 nan 8.290 nan 0.000 0.560 350 H N 0.080 119.051 119.070 -0.164 0.000 2.352 350 H HA -0.099 4.457 4.556 -0.000 0.000 0.299 350 H C 2.559 177.795 175.328 -0.153 0.000 1.097 350 H CA 2.230 58.198 56.048 -0.134 0.000 1.311 350 H CB -0.193 29.497 29.762 -0.120 0.000 1.377 350 H HN 0.380 nan 8.280 nan 0.000 0.504 351 Q N 0.391 119.985 119.800 -0.343 0.000 2.084 351 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 351 Q C 2.396 178.254 176.000 -0.237 0.000 0.978 351 Q CA 1.799 57.386 55.803 -0.360 0.000 0.844 351 Q CB -0.477 27.956 28.738 -0.508 0.000 0.898 351 Q HN 0.633 nan 8.270 nan 0.000 0.426 352 L N -0.520 120.592 121.223 -0.184 0.000 2.012 352 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 352 L C 2.186 178.999 176.870 -0.097 0.000 1.073 352 L CA 0.745 55.530 54.840 -0.091 0.000 0.748 352 L CB -0.626 41.398 42.059 -0.058 0.000 0.891 352 L HN 0.332 nan 8.230 nan 0.000 0.431 353 L N -0.247 120.896 121.223 -0.133 0.000 1.990 353 L HA -0.218 4.121 4.340 -0.000 0.000 0.213 353 L C 2.549 179.335 176.870 -0.140 0.000 1.072 353 L CA 1.849 56.617 54.840 -0.120 0.000 0.755 353 L CB -0.859 41.126 42.059 -0.123 0.000 0.889 353 L HN 0.038 nan 8.230 nan 0.000 0.432 354 V N -0.219 119.553 119.914 -0.237 0.000 2.407 354 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 354 V C 2.669 178.708 176.094 -0.091 0.000 1.055 354 V CA 1.457 63.644 62.300 -0.189 0.000 1.049 354 V CB -0.682 30.987 31.823 -0.257 0.000 0.662 354 V HN 0.502 nan 8.190 nan 0.000 0.455 355 Q N -0.104 119.655 119.800 -0.068 0.000 2.050 355 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 355 Q C 2.341 178.343 176.000 0.002 0.000 0.980 355 Q CA 1.564 57.361 55.803 -0.010 0.000 0.840 355 Q CB -0.632 28.118 28.738 0.019 0.000 0.898 355 Q HN 0.540 nan 8.270 nan 0.000 0.424 356 L N 0.719 121.937 121.223 -0.008 0.000 2.043 356 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 356 L C 2.366 179.244 176.870 0.013 0.000 1.075 356 L CA 1.470 56.316 54.840 0.010 0.000 0.752 356 L CB -0.396 41.664 42.059 0.001 0.000 0.891 356 L HN 0.266 nan 8.230 nan 0.000 0.432 357 E N -0.555 119.639 120.200 -0.011 0.000 2.106 357 E HA -0.160 4.189 4.350 -0.000 0.000 0.192 357 E C 2.278 178.883 176.600 0.009 0.000 0.984 357 E CA 1.396 57.792 56.400 -0.008 0.000 0.806 357 E CB 0.012 29.686 29.700 -0.043 0.000 0.750 357 E HN 0.386 nan 8.360 nan 0.000 0.458 358 S N 0.908 116.607 115.700 -0.001 0.000 2.353 358 S HA -0.183 4.287 4.470 -0.000 0.000 0.222 358 S C 2.057 176.677 174.600 0.034 0.000 1.035 358 S CA 0.984 59.187 58.200 0.004 0.000 1.025 358 S CB -0.308 62.890 63.200 -0.004 0.000 0.902 358 S HN 0.190 nan 8.310 nan 0.000 0.440 359 I N 1.994 122.596 120.570 0.052 0.000 2.091 359 I HA -0.302 3.868 4.170 -0.000 0.000 0.239 359 I C 2.809 178.989 176.117 0.105 0.000 1.061 359 I CA 1.432 62.784 61.300 0.086 0.000 1.317 359 I CB -0.612 37.440 38.000 0.087 0.000 1.031 359 I HN 0.305 nan 8.210 nan 0.000 0.401 360 A N 0.696 123.569 122.820 0.088 0.000 1.902 360 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 360 A C 2.299 179.953 177.584 0.117 0.000 1.181 360 A CA 1.569 53.664 52.037 0.096 0.000 0.623 360 A CB -0.869 18.173 19.000 0.069 0.000 0.818 360 A HN 0.411 nan 8.150 nan 0.000 0.443 361 I N -0.414 120.224 120.570 0.113 0.000 2.179 361 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 361 I C 2.649 178.897 176.117 0.218 0.000 1.088 361 I CA 1.805 63.207 61.300 0.169 0.000 1.357 361 I CB -0.646 37.446 38.000 0.153 0.000 1.051 361 I HN 0.280 nan 8.210 nan 0.000 0.409 362 T N 1.234 115.877 114.554 0.149 0.000 2.652 362 T HA -0.190 4.159 4.350 -0.000 0.000 0.267 362 T C 1.916 176.761 174.700 0.240 0.000 1.039 362 T CA 1.642 63.836 62.100 0.157 0.000 1.153 362 T CB -0.410 68.520 68.868 0.104 0.000 0.863 362 T HN 0.223 nan 8.240 nan 0.000 0.428 363 I N 0.606 121.308 120.570 0.220 0.000 2.151 363 I HA -0.190 3.980 4.170 -0.000 0.000 0.243 363 I C 2.510 178.756 176.117 0.215 0.000 1.080 363 I CA 1.133 62.572 61.300 0.233 0.000 1.339 363 I CB -0.443 37.680 38.000 0.205 0.000 1.039 363 I HN 0.097 nan 8.210 nan 0.000 0.409 364 V N -0.175 119.851 119.914 0.187 0.000 2.323 364 V HA -0.257 3.863 4.120 -0.000 0.000 0.244 364 V C 2.081 178.283 176.094 0.180 0.000 1.041 364 V CA 1.565 63.949 62.300 0.140 0.000 1.025 364 V CB -0.617 31.258 31.823 0.087 0.000 0.656 364 V HN 0.589 nan 8.190 nan 0.000 0.451 365 W N 0.835 122.176 121.300 0.069 0.000 2.317 365 W HA -0.265 4.397 4.660 0.003 0.000 0.318 365 W C 2.974 179.554 176.519 0.103 0.000 1.227 365 W CA 2.670 60.049 57.345 0.056 0.000 1.269 365 W CB -0.795 28.683 29.460 0.030 0.000 1.155 365 W HN 0.396 nan 8.180 nan 0.000 0.484 366 S N 0.239 116.243 115.700 0.508 0.000 2.348 366 S HA -0.120 4.349 4.470 -0.000 0.000 0.221 366 S C 2.129 177.036 174.600 0.511 0.000 1.033 366 S CA 2.522 61.058 58.200 0.559 0.000 1.010 366 S CB -1.109 62.460 63.200 0.615 0.000 0.891 366 S HN 0.272 nan 8.310 nan 0.000 0.442 367 G N 1.198 110.212 108.800 0.356 0.000 2.553 367 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.218 367 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.218 367 G C 1.541 176.594 174.900 0.254 0.000 1.195 367 G CA 1.429 46.688 45.100 0.266 0.000 0.779 367 G HN 0.504 nan 8.290 nan 0.000 0.577 368 V N 0.351 120.355 119.914 0.150 0.000 2.332 368 V HA -0.196 3.923 4.120 -0.000 0.000 0.248 368 V C 3.056 179.266 176.094 0.194 0.000 1.055 368 V CA 1.682 64.034 62.300 0.086 0.000 1.038 368 V CB -0.528 31.248 31.823 -0.078 0.000 0.651 368 V HN 0.264 nan 8.190 nan 0.000 0.450 369 V N 0.149 120.189 119.914 0.210 0.000 2.270 369 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 369 V C 2.745 179.093 176.094 0.423 0.000 1.043 369 V CA 1.916 64.372 62.300 0.260 0.000 1.014 369 V CB -1.259 30.710 31.823 0.244 0.000 0.645 369 V HN 0.551 nan 8.190 nan 0.000 0.447 370 A N -0.158 123.028 122.820 0.610 0.000 1.896 370 A HA -0.341 3.978 4.320 -0.000 0.000 0.220 370 A C 2.147 180.051 177.584 0.534 0.000 1.206 370 A CA 2.563 54.971 52.037 0.619 0.000 0.647 370 A CB -0.973 18.394 19.000 0.611 0.000 0.828 370 A HN 0.545 nan 8.150 nan 0.000 0.455 371 F N 0.406 120.555 119.950 0.332 0.000 2.126 371 F HA -0.196 4.330 4.527 -0.002 0.000 0.299 371 F C 1.969 177.896 175.800 0.211 0.000 1.096 371 F CA 1.968 60.122 58.000 0.256 0.000 1.255 371 F CB -0.203 38.879 39.000 0.137 0.000 0.997 371 F HN 0.219 nan 8.300 nan 0.000 0.479 372 I N -0.149 120.607 120.570 0.311 0.000 2.202 372 I HA -0.197 3.973 4.170 -0.000 0.000 0.242 372 I C 2.814 178.982 176.117 0.086 0.000 1.091 372 I CA 1.345 62.742 61.300 0.162 0.000 1.368 372 I CB -1.417 36.672 38.000 0.148 0.000 1.058 372 I HN 0.248 nan 8.210 nan 0.000 0.410 373 G N 0.339 109.220 108.800 0.134 0.000 2.511 373 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.216 373 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.216 373 G C 1.494 176.441 174.900 0.079 0.000 1.218 373 G CA 0.924 46.088 45.100 0.107 0.000 0.788 373 G HN 0.258 nan 8.290 nan 0.000 0.560 374 Y N 1.269 121.674 120.300 0.174 0.000 2.151 374 Y HA -0.111 4.439 4.550 -0.001 0.000 0.284 374 Y C 2.925 178.777 175.900 -0.079 0.000 1.166 374 Y CA 1.532 59.630 58.100 -0.004 0.000 1.163 374 Y CB -0.131 38.257 38.460 -0.119 0.000 0.974 374 Y HN 0.040 nan 8.280 nan 0.000 0.511 375 K N -0.249 120.133 120.400 -0.030 0.000 2.097 375 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 375 K C 2.123 178.701 176.600 -0.036 0.000 1.049 375 K CA 0.923 57.134 56.287 -0.127 0.000 0.933 375 K CB -0.850 31.460 32.500 -0.316 0.000 0.717 375 K HN 0.276 nan 8.250 nan 0.000 0.442 376 L N 1.295 122.517 121.223 -0.002 0.000 1.989 376 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 376 L C 2.247 179.135 176.870 0.030 0.000 1.071 376 L CA 2.085 56.936 54.840 0.017 0.000 0.749 376 L CB -0.956 41.119 42.059 0.026 0.000 0.890 376 L HN 0.145 nan 8.230 nan 0.000 0.431 377 A N -0.819 122.034 122.820 0.054 0.000 1.883 377 A HA -0.311 4.009 4.320 -0.000 0.000 0.217 377 A C 2.148 179.760 177.584 0.046 0.000 1.186 377 A CA 2.069 54.146 52.037 0.066 0.000 0.624 377 A CB -1.157 17.907 19.000 0.106 0.000 0.822 377 A HN 0.572 nan 8.150 nan 0.000 0.444 378 D N -0.608 119.813 120.400 0.034 0.000 2.263 378 D HA -0.053 4.587 4.640 -0.000 0.000 0.208 378 D C 1.350 177.651 176.300 0.003 0.000 0.971 378 D CA 0.833 54.839 54.000 0.011 0.000 0.867 378 D CB -0.119 40.673 40.800 -0.014 0.000 0.929 378 D HN 0.447 nan 8.370 nan 0.000 0.492 379 L N -0.666 120.559 121.223 0.004 0.000 2.728 379 L HA 0.221 4.561 4.340 -0.000 0.000 0.238 379 L C 1.504 178.379 176.870 0.010 0.000 1.143 379 L CA 0.468 55.310 54.840 0.003 0.000 0.937 379 L CB 0.323 42.382 42.059 -0.001 0.000 1.225 379 L HN 0.077 nan 8.230 nan 0.000 0.507 380 T N -4.166 110.398 114.554 0.016 0.000 3.125 380 T HA 0.045 4.395 4.350 -0.000 0.000 0.252 380 T C 1.262 175.975 174.700 0.021 0.000 0.981 380 T CA 0.843 62.955 62.100 0.019 0.000 1.069 380 T CB 0.152 69.034 68.868 0.023 0.000 1.091 380 T HN 0.033 nan 8.240 nan 0.000 0.460 381 V N -1.770 118.161 119.914 0.028 0.000 3.539 381 V HA 0.713 4.833 4.120 -0.000 0.000 0.262 381 V C 0.983 177.093 176.094 0.027 0.000 1.381 381 V CA 0.289 62.607 62.300 0.030 0.000 1.060 381 V CB -0.287 31.561 31.823 0.043 0.000 0.842 381 V HN 1.131 nan 8.190 nan 0.000 0.445 382 G N 0.259 109.075 108.800 0.026 0.000 2.788 382 G HA2 -0.106 3.853 3.960 -0.000 0.000 0.686 382 G HA3 -0.106 3.853 3.960 -0.000 0.000 0.686 382 G C -0.378 174.536 174.900 0.024 0.000 1.147 382 G CA -0.080 45.031 45.100 0.018 0.000 0.755 382 G HN 0.343 nan 8.290 nan 0.000 0.634 383 L N 1.809 123.039 121.223 0.011 0.000 1.995 383 L HA 0.151 4.491 4.340 -0.000 0.000 0.206 383 L C 2.143 179.007 176.870 -0.010 0.000 1.098 383 L CA 0.948 55.791 54.840 0.006 0.000 0.762 383 L CB -0.412 41.633 42.059 -0.023 0.000 0.900 383 L HN 0.873 nan 8.230 nan 0.000 0.441 384 R N 1.478 121.960 120.500 -0.029 0.000 4.098 384 R HA -0.121 4.219 4.340 -0.000 0.000 0.151 384 R C -0.296 175.996 176.300 -0.013 0.000 0.451 384 R CA -0.248 55.834 56.100 -0.030 0.000 0.858 384 R CB -1.183 29.099 30.300 -0.029 0.000 1.051 384 R HN 0.136 nan 8.270 nan 0.000 0.263 385 V N 5.657 125.562 119.914 -0.015 0.000 2.493 385 V HA 0.064 4.184 4.120 -0.000 0.000 0.292 385 V C -1.059 175.034 176.094 -0.001 0.000 1.016 385 V CA -1.250 61.050 62.300 -0.000 0.000 1.097 385 V CB -0.154 31.666 31.823 -0.004 0.000 0.947 385 V HN 0.809 nan 8.190 nan 0.000 0.479 386 P HA 0.000 nan 4.420 nan 0.000 0.216 386 P CA 0.000 63.102 63.100 0.004 0.000 0.800 386 P CB 0.000 31.706 31.700 0.010 0.000 0.726