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 2nop_1_A DATA FIRST_RESID 2 DATA SEQUENCE PAVADKADNA FMMICTALVL FMTIPGIALF YGGLIRGKNV LSMLTQVTVT DATA SEQUENCE FALVCILWVV YGYSLAFGEG NNFFGNINWL MLKNIELTAV MGSIYQYIHV DATA SEQUENCE AFQGSFACIT VGLIVGALAE RIRFSAVLIF VVVWLTLSYI PIAHMVWGGG DATA SEQUENCE LLASHGALDF AGGTVVHINA AIAGLVGAYL XXXXXXXXXX XXXPHNLPMV DATA SEQUENCE FTGTAILYIG WFGFNAGSAG TANEIAALAF VNTVVATAAA ILGWIFGEWA DATA SEQUENCE LRGKPSLLGA CSGAIAGLVG VTPACGYIGV GGALIIGVVA GLAGLWGVTM DATA SEQUENCE XXXXXXXXXP CDVFGVHGVC GIVGCIMTGI FAASSLGGVG FAEGVTMGHQ DATA SEQUENCE LLVQLESIAI TIVWSGVVAF IGYKLADLTV GLRVP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.298 177.300 -0.003 0.000 1.155 2 P CA 0.000 63.104 63.100 0.006 0.000 0.800 2 P CB 0.000 31.708 31.700 0.013 0.000 0.726 3 A N 1.052 123.867 122.820 -0.009 0.000 2.584 3 A HA 0.387 4.707 4.320 0.000 0.000 0.239 3 A C 0.353 177.911 177.584 -0.043 0.000 1.043 3 A CA 0.376 52.396 52.037 -0.027 0.000 0.756 3 A CB 0.113 19.094 19.000 -0.032 0.000 0.963 3 A HN 0.639 nan 8.150 nan 0.000 0.511 4 V N 2.768 122.645 119.914 -0.062 0.000 2.667 4 V HA 0.701 4.821 4.120 0.000 0.000 0.308 4 V C 0.625 176.621 176.094 -0.163 0.000 1.048 4 V CA -0.139 62.109 62.300 -0.087 0.000 0.928 4 V CB 1.598 33.389 31.823 -0.053 0.000 1.004 4 V HN 1.494 nan 8.190 nan 0.000 0.444 5 A N 4.373 127.019 122.820 -0.290 0.000 2.388 5 A HA 0.399 4.720 4.320 0.000 0.000 0.257 5 A C -0.048 177.381 177.584 -0.260 0.000 1.095 5 A CA -0.221 51.549 52.037 -0.445 0.000 0.791 5 A CB 0.233 18.544 19.000 -1.149 0.000 1.029 5 A HN 0.900 nan 8.150 nan 0.000 0.489 6 D N 1.947 122.230 120.400 -0.196 0.000 2.329 6 D HA 0.202 4.843 4.640 0.000 0.000 0.232 6 D C 0.658 176.907 176.300 -0.085 0.000 1.088 6 D CA -0.311 53.623 54.000 -0.110 0.000 0.835 6 D CB 0.986 41.736 40.800 -0.083 0.000 1.078 6 D HN 0.526 nan 8.370 nan 0.000 0.495 7 K N 2.281 122.653 120.400 -0.046 0.000 2.152 7 K HA -0.139 4.181 4.320 0.000 0.000 0.206 7 K C 1.816 178.422 176.600 0.010 0.000 1.048 7 K CA 1.310 57.596 56.287 -0.002 0.000 0.933 7 K CB 0.128 32.638 32.500 0.017 0.000 0.721 7 K HN 0.456 nan 8.250 nan 0.000 0.447 8 A N 1.669 124.487 122.820 -0.004 0.000 1.898 8 A HA -0.188 4.133 4.320 0.000 0.000 0.216 8 A C 1.538 179.146 177.584 0.039 0.000 1.181 8 A CA 1.775 53.816 52.037 0.005 0.000 0.620 8 A CB -0.286 18.696 19.000 -0.030 0.000 0.819 8 A HN 0.158 nan 8.150 nan 0.000 0.442 9 D N 0.096 120.504 120.400 0.015 0.000 2.149 9 D HA -0.103 4.537 4.640 0.000 0.000 0.201 9 D C 1.579 177.918 176.300 0.065 0.000 0.972 9 D CA 0.929 54.959 54.000 0.051 0.000 0.835 9 D CB -0.393 40.399 40.800 -0.012 0.000 0.966 9 D HN 0.322 nan 8.370 nan 0.000 0.476 10 N N 1.065 119.779 118.700 0.024 0.000 2.069 10 N HA -0.122 4.618 4.740 0.000 0.000 0.191 10 N C 1.779 177.330 175.510 0.068 0.000 1.031 10 N CA 1.362 54.438 53.050 0.043 0.000 0.852 10 N CB -0.386 38.144 38.487 0.072 0.000 1.018 10 N HN 0.126 nan 8.380 nan 0.000 0.423 11 A N 0.669 123.538 122.820 0.082 0.000 1.858 11 A HA -0.134 4.186 4.320 0.000 0.000 0.216 11 A C 2.156 179.813 177.584 0.122 0.000 1.190 11 A CA 1.071 53.161 52.037 0.089 0.000 0.617 11 A CB -1.051 18.000 19.000 0.085 0.000 0.827 11 A HN 0.270 nan 8.150 nan 0.000 0.443 12 F N 0.239 120.183 119.950 -0.011 0.000 2.095 12 F HA -0.206 4.322 4.527 0.001 0.000 0.298 12 F C 2.247 178.035 175.800 -0.020 0.000 1.104 12 F CA 1.996 59.991 58.000 -0.007 0.000 1.232 12 F CB -0.223 38.764 39.000 -0.021 0.000 0.987 12 F HN 0.099 nan 8.300 nan 0.000 0.475 13 M N -0.619 118.919 119.600 -0.103 0.000 2.175 13 M HA -0.181 4.300 4.480 0.000 0.000 0.264 13 M C 2.273 178.491 176.300 -0.137 0.000 1.063 13 M CA 1.423 56.563 55.300 -0.266 0.000 1.119 13 M CB -1.207 31.262 32.600 -0.218 0.000 1.377 13 M HN 0.288 nan 8.290 nan 0.000 0.415 14 M N -0.415 119.161 119.600 -0.040 0.000 2.132 14 M HA -0.164 4.316 4.480 0.000 0.000 0.263 14 M C 1.948 178.247 176.300 -0.001 0.000 1.065 14 M CA 1.121 56.426 55.300 0.009 0.000 1.122 14 M CB -0.254 32.365 32.600 0.032 0.000 1.365 14 M HN 0.112 nan 8.290 nan 0.000 0.411 15 I N -0.201 120.351 120.570 -0.030 0.000 2.252 15 I HA -0.256 3.915 4.170 0.000 0.000 0.245 15 I C 2.492 178.583 176.117 -0.043 0.000 1.102 15 I CA 1.224 62.508 61.300 -0.026 0.000 1.385 15 I CB -1.513 36.485 38.000 -0.004 0.000 1.064 15 I HN 0.394 nan 8.210 nan 0.000 0.414 16 C N 0.594 119.801 119.300 -0.155 0.000 2.425 16 C HA -0.144 4.316 4.460 0.000 0.000 0.277 16 C C 2.978 178.061 174.990 0.155 0.000 1.280 16 C CA 1.342 60.314 59.018 -0.078 0.000 1.744 16 C CB -1.136 26.419 27.740 -0.309 0.000 1.989 16 C HN 0.521 nan 8.230 nan 0.000 0.491 17 T N 1.096 115.763 114.554 0.187 0.000 2.746 17 T HA -0.112 4.238 4.350 0.000 0.000 0.267 17 T C 2.135 176.902 174.700 0.111 0.000 1.039 17 T CA 1.628 63.864 62.100 0.227 0.000 1.142 17 T CB -0.395 68.590 68.868 0.196 0.000 0.866 17 T HN 0.640 nan 8.240 nan 0.000 0.444 18 A N 1.158 124.024 122.820 0.076 0.000 1.902 18 A HA 0.016 4.337 4.320 0.000 0.000 0.217 18 A C 2.303 179.933 177.584 0.078 0.000 1.181 18 A CA 1.165 53.233 52.037 0.051 0.000 0.623 18 A CB -0.857 18.147 19.000 0.005 0.000 0.818 18 A HN 0.467 nan 8.150 nan 0.000 0.443 19 L N -0.575 120.706 121.223 0.096 0.000 2.046 19 L HA -0.167 4.173 4.340 0.000 0.000 0.208 19 L C 2.522 179.485 176.870 0.156 0.000 1.077 19 L CA 1.103 56.046 54.840 0.171 0.000 0.747 19 L CB -0.456 41.702 42.059 0.165 0.000 0.896 19 L HN 0.263 nan 8.230 nan 0.000 0.432 20 V N -0.076 119.886 119.914 0.080 0.000 2.358 20 V HA -0.270 3.850 4.120 0.000 0.000 0.246 20 V C 2.360 178.440 176.094 -0.024 0.000 1.047 20 V CA 1.465 63.742 62.300 -0.039 0.000 1.035 20 V CB -0.365 31.360 31.823 -0.164 0.000 0.658 20 V HN 0.347 nan 8.190 nan 0.000 0.452 21 L N -1.165 120.089 121.223 0.052 0.000 2.079 21 L HA -0.193 4.147 4.340 0.000 0.000 0.210 21 L C 2.419 179.339 176.870 0.083 0.000 1.081 21 L CA 1.571 56.469 54.840 0.097 0.000 0.752 21 L CB -0.645 41.503 42.059 0.148 0.000 0.896 21 L HN 0.333 nan 8.230 nan 0.000 0.433 22 F N 0.772 120.682 119.950 -0.067 0.000 2.216 22 F HA -0.223 4.304 4.527 0.001 0.000 0.300 22 F C 2.389 178.126 175.800 -0.105 0.000 1.085 22 F CA 1.322 59.276 58.000 -0.078 0.000 1.326 22 F CB -0.361 38.617 39.000 -0.037 0.000 1.027 22 F HN 0.002 nan 8.300 nan 0.000 0.497 23 M N -0.909 118.626 119.600 -0.107 0.000 2.149 23 M HA -0.223 4.258 4.480 0.000 0.000 0.261 23 M C 1.858 178.019 176.300 -0.232 0.000 1.064 23 M CA 2.242 57.388 55.300 -0.256 0.000 1.102 23 M CB -0.719 31.692 32.600 -0.315 0.000 1.369 23 M HN 0.034 nan 8.290 nan 0.000 0.408 24 T N 0.107 114.556 114.554 -0.175 0.000 2.866 24 T HA 0.151 4.501 4.350 0.000 0.000 0.250 24 T C 0.861 175.424 174.700 -0.228 0.000 1.033 24 T CA 0.618 62.616 62.100 -0.169 0.000 1.145 24 T CB 0.295 69.098 68.868 -0.109 0.000 0.866 24 T HN 0.058 nan 8.240 nan 0.000 0.434 25 I N 3.383 123.783 120.570 -0.285 0.000 2.388 25 I HA 0.276 4.447 4.170 0.000 0.000 0.281 25 I C -2.136 173.955 176.117 -0.044 0.000 1.046 25 I CA -2.470 58.672 61.300 -0.263 0.000 1.187 25 I CB 1.118 38.804 38.000 -0.524 0.000 1.351 25 I HN 0.084 nan 8.210 nan 0.000 0.472 26 P HA 0.181 nan 4.420 nan 0.000 0.291 26 P C 1.272 178.484 177.300 -0.147 0.000 1.388 26 P CA 0.122 63.161 63.100 -0.101 0.000 1.061 26 P CB 1.049 32.727 31.700 -0.037 0.000 1.534 27 G N 2.117 110.761 108.800 -0.260 0.000 2.764 27 G HA2 -0.333 3.627 3.960 0.000 0.000 0.219 27 G HA3 -0.333 3.627 3.960 0.000 0.000 0.219 27 G C 1.318 176.136 174.900 -0.137 0.000 1.259 27 G CA 1.246 46.188 45.100 -0.264 0.000 0.793 27 G HN 0.279 nan 8.290 nan 0.000 0.633 28 I N 1.795 122.289 120.570 -0.128 0.000 2.361 28 I HA -0.003 4.168 4.170 0.000 0.000 0.251 28 I C 3.022 179.193 176.117 0.090 0.000 1.133 28 I CA 1.367 62.632 61.300 -0.059 0.000 1.413 28 I CB -0.412 37.563 38.000 -0.041 0.000 1.073 28 I HN 0.240 nan 8.210 nan 0.000 0.424 29 A N -0.018 122.835 122.820 0.056 0.000 1.902 29 A HA -0.138 4.182 4.320 0.000 0.000 0.217 29 A C 2.284 179.924 177.584 0.092 0.000 1.181 29 A CA 1.668 53.761 52.037 0.093 0.000 0.623 29 A CB -0.859 18.154 19.000 0.023 0.000 0.818 29 A HN 0.472 nan 8.150 nan 0.000 0.443 30 L N -2.309 118.937 121.223 0.038 0.000 2.109 30 L HA -0.077 4.263 4.340 0.000 0.000 0.207 30 L C 2.439 179.319 176.870 0.017 0.000 1.086 30 L CA 1.174 56.025 54.840 0.019 0.000 0.760 30 L CB -0.504 41.543 42.059 -0.020 0.000 0.910 30 L HN 0.501 nan 8.230 nan 0.000 0.437 31 F N 0.173 120.039 119.950 -0.140 0.000 2.069 31 F HA -0.307 4.220 4.527 0.000 0.000 0.298 31 F C 2.377 178.064 175.800 -0.189 0.000 1.113 31 F CA 1.761 59.628 58.000 -0.222 0.000 1.214 31 F CB -0.332 38.456 39.000 -0.353 0.000 0.978 31 F HN -0.070 nan 8.300 nan 0.000 0.474 32 Y N 0.461 120.834 120.300 0.122 0.000 2.242 32 Y HA 0.016 4.566 4.550 0.001 0.000 0.291 32 Y C 2.700 178.586 175.900 -0.022 0.000 1.137 32 Y CA 1.023 59.135 58.100 0.020 0.000 1.181 32 Y CB -1.365 37.131 38.460 0.061 0.000 0.989 32 Y HN 0.144 nan 8.280 nan 0.000 0.527 33 G N -0.624 108.270 108.800 0.157 0.000 2.450 33 G HA2 -0.224 3.736 3.960 0.000 0.000 0.220 33 G HA3 -0.224 3.736 3.960 0.000 0.000 0.220 33 G C 1.978 176.971 174.900 0.156 0.000 1.130 33 G CA 1.040 46.221 45.100 0.135 0.000 0.760 33 G HN 0.525 nan 8.290 nan 0.000 0.557 34 G N -0.045 108.736 108.800 -0.031 0.000 2.603 34 G HA2 0.126 4.087 3.960 0.000 0.000 0.214 34 G HA3 0.126 4.087 3.960 0.000 0.000 0.214 34 G C 1.666 176.486 174.900 -0.134 0.000 1.140 34 G CA 0.105 45.085 45.100 -0.199 0.000 0.800 34 G HN 0.411 nan 8.290 nan 0.000 0.533 35 L N 0.630 121.800 121.223 -0.087 0.000 2.127 35 L HA 0.300 4.641 4.340 0.000 0.000 0.203 35 L C 1.656 178.567 176.870 0.068 0.000 1.080 35 L CA 0.085 54.889 54.840 -0.060 0.000 0.768 35 L CB -0.245 41.734 42.059 -0.133 0.000 0.924 35 L HN 0.295 nan 8.230 nan 0.000 0.444 36 I N -1.564 119.072 120.570 0.110 0.000 2.886 36 I HA 0.228 4.399 4.170 0.000 0.000 0.299 36 I C 0.704 176.831 176.117 0.016 0.000 1.044 36 I CA -0.824 60.510 61.300 0.057 0.000 1.310 36 I CB 0.513 38.527 38.000 0.022 0.000 1.441 36 I HN -0.036 nan 8.210 nan 0.000 0.578 37 R N 2.785 123.247 120.500 -0.064 0.000 2.585 37 R HA 0.138 4.478 4.340 0.000 0.000 0.275 37 R C 1.219 177.318 176.300 -0.335 0.000 1.018 37 R CA 1.206 57.215 56.100 -0.152 0.000 1.072 37 R CB 0.679 30.922 30.300 -0.095 0.000 0.953 37 R HN 0.895 nan 8.270 nan 0.000 0.419 38 G N 4.386 112.854 108.800 -0.554 0.000 2.505 38 G HA2 -0.387 3.574 3.960 0.000 0.000 0.220 38 G HA3 -0.387 3.574 3.960 0.000 0.000 0.220 38 G C 0.891 175.631 174.900 -0.267 0.000 1.145 38 G CA 1.280 46.009 45.100 -0.617 0.000 0.761 38 G HN 0.822 nan 8.290 nan 0.000 0.571 39 K N -0.131 120.167 120.400 -0.170 0.000 2.360 39 K HA 0.003 4.324 4.320 0.000 0.000 0.201 39 K C 1.401 177.953 176.600 -0.080 0.000 1.046 39 K CA 1.309 57.538 56.287 -0.097 0.000 0.945 39 K CB -0.085 32.372 32.500 -0.071 0.000 0.750 39 K HN 0.170 nan 8.250 nan 0.000 0.464 40 N N 0.637 119.278 118.700 -0.099 0.000 2.236 40 N HA 0.032 4.773 4.740 0.000 0.000 0.196 40 N C 1.475 176.948 175.510 -0.062 0.000 1.114 40 N CA 0.177 53.184 53.050 -0.072 0.000 0.859 40 N CB 0.558 39.001 38.487 -0.073 0.000 0.982 40 N HN -0.011 nan 8.380 nan 0.000 0.493 41 V N 1.638 121.509 119.914 -0.073 0.000 2.261 41 V HA -0.195 3.925 4.120 0.000 0.000 0.246 41 V C 2.384 178.476 176.094 -0.002 0.000 1.047 41 V CA 1.361 63.646 62.300 -0.025 0.000 1.015 41 V CB -0.510 31.308 31.823 -0.008 0.000 0.642 41 V HN 0.239 nan 8.190 nan 0.000 0.446 42 L N -0.108 121.113 121.223 -0.002 0.000 2.012 42 L HA -0.203 4.137 4.340 0.000 0.000 0.210 42 L C 2.728 179.610 176.870 0.020 0.000 1.073 42 L CA 2.008 56.858 54.840 0.017 0.000 0.748 42 L CB -0.822 41.249 42.059 0.020 0.000 0.891 42 L HN 0.392 nan 8.230 nan 0.000 0.431 43 S N -0.357 115.347 115.700 0.006 0.000 2.368 43 S HA -0.216 4.254 4.470 0.000 0.000 0.225 43 S C 2.033 176.597 174.600 -0.060 0.000 1.030 43 S CA 1.323 59.522 58.200 -0.002 0.000 0.999 43 S CB -0.165 63.028 63.200 -0.012 0.000 0.844 43 S HN 0.319 nan 8.310 nan 0.000 0.459 44 M N 1.049 120.612 119.600 -0.061 0.000 2.117 44 M HA -0.028 4.452 4.480 0.000 0.000 0.262 44 M C 1.864 178.137 176.300 -0.046 0.000 1.065 44 M CA 1.562 56.814 55.300 -0.080 0.000 1.114 44 M CB -1.040 31.523 32.600 -0.061 0.000 1.361 44 M HN 0.397 nan 8.290 nan 0.000 0.408 45 L N -0.435 120.786 121.223 -0.003 0.000 2.083 45 L HA -0.206 4.134 4.340 0.000 0.000 0.209 45 L C 2.290 179.178 176.870 0.030 0.000 1.083 45 L CA 1.653 56.505 54.840 0.019 0.000 0.752 45 L CB -1.179 40.899 42.059 0.031 0.000 0.899 45 L HN 0.302 nan 8.230 nan 0.000 0.433 46 T N -1.021 113.560 114.554 0.044 0.000 2.708 46 T HA -0.217 4.133 4.350 0.000 0.000 0.266 46 T C 1.908 176.664 174.700 0.093 0.000 1.037 46 T CA 1.233 63.403 62.100 0.117 0.000 1.146 46 T CB -0.180 68.811 68.868 0.204 0.000 0.865 46 T HN 0.366 nan 8.240 nan 0.000 0.435 47 Q N 0.233 119.952 119.800 -0.136 0.000 2.084 47 Q HA -0.075 4.265 4.340 0.000 0.000 0.202 47 Q C 2.608 178.564 176.000 -0.074 0.000 0.978 47 Q CA 1.155 56.758 55.803 -0.334 0.000 0.844 47 Q CB -0.416 28.012 28.738 -0.516 0.000 0.898 47 Q HN 0.348 nan 8.270 nan 0.000 0.426 48 V N 0.562 120.460 119.914 -0.027 0.000 2.343 48 V HA -0.249 3.871 4.120 0.000 0.000 0.247 48 V C 2.185 178.340 176.094 0.103 0.000 1.051 48 V CA 2.156 64.477 62.300 0.036 0.000 1.036 48 V CB -0.764 31.075 31.823 0.026 0.000 0.654 48 V HN 0.435 nan 8.190 nan 0.000 0.451 49 T N -0.115 114.497 114.554 0.097 0.000 2.737 49 T HA -0.139 4.211 4.350 0.000 0.000 0.265 49 T C 1.943 176.789 174.700 0.243 0.000 1.038 49 T CA 1.629 63.815 62.100 0.144 0.000 1.144 49 T CB -0.203 68.727 68.868 0.104 0.000 0.866 49 T HN 0.284 nan 8.240 nan 0.000 0.434 50 V N 2.369 122.424 119.914 0.236 0.000 2.358 50 V HA -0.164 3.956 4.120 0.000 0.000 0.246 50 V C 3.024 179.258 176.094 0.234 0.000 1.047 50 V CA 2.107 64.565 62.300 0.263 0.000 1.035 50 V CB -1.347 30.713 31.823 0.395 0.000 0.658 50 V HN 0.728 nan 8.190 nan 0.000 0.452 51 T N -1.707 112.976 114.554 0.215 0.000 2.915 51 T HA -0.195 4.155 4.350 0.000 0.000 0.269 51 T C 1.784 176.583 174.700 0.166 0.000 1.071 51 T CA 1.459 63.663 62.100 0.174 0.000 1.132 51 T CB -0.570 68.381 68.868 0.139 0.000 0.878 51 T HN 0.410 nan 8.240 nan 0.000 0.479 52 F N 2.835 122.815 119.950 0.050 0.000 2.102 52 F HA 0.171 4.698 4.527 0.000 0.000 0.298 52 F C 2.578 178.395 175.800 0.030 0.000 1.105 52 F CA 0.909 58.923 58.000 0.024 0.000 1.239 52 F CB -0.872 38.139 39.000 0.018 0.000 0.991 52 F HN 0.247 nan 8.300 nan 0.000 0.474 53 A N 0.727 123.588 122.820 0.068 0.000 1.883 53 A HA -0.192 4.128 4.320 0.000 0.000 0.217 53 A C 2.146 179.688 177.584 -0.071 0.000 1.186 53 A CA 1.832 53.847 52.037 -0.038 0.000 0.624 53 A CB -1.408 17.655 19.000 0.104 0.000 0.822 53 A HN 0.543 nan 8.150 nan 0.000 0.444 54 L N 0.006 121.234 121.223 0.009 0.000 2.012 54 L HA -0.135 4.205 4.340 0.000 0.000 0.210 54 L C 2.380 179.238 176.870 -0.020 0.000 1.073 54 L CA 2.076 56.929 54.840 0.023 0.000 0.748 54 L CB -0.584 41.524 42.059 0.081 0.000 0.891 54 L HN 0.156 nan 8.230 nan 0.000 0.431 55 V N -1.115 118.763 119.914 -0.060 0.000 2.295 55 V HA -0.356 3.765 4.120 0.000 0.000 0.246 55 V C 2.658 178.685 176.094 -0.113 0.000 1.049 55 V CA 1.884 64.136 62.300 -0.081 0.000 1.024 55 V CB -0.841 30.909 31.823 -0.122 0.000 0.648 55 V HN 0.661 nan 8.190 nan 0.000 0.447 56 C N -0.120 119.026 119.300 -0.257 0.000 2.413 56 C HA -0.171 4.289 4.460 0.000 0.000 0.276 56 C C 2.594 177.550 174.990 -0.057 0.000 1.248 56 C CA 0.693 59.579 59.018 -0.219 0.000 1.742 56 C CB -1.018 26.499 27.740 -0.371 0.000 2.017 56 C HN 0.476 nan 8.230 nan 0.000 0.481 57 I N 0.676 121.209 120.570 -0.061 0.000 2.233 57 I HA -0.119 4.052 4.170 0.000 0.000 0.243 57 I C 2.411 178.495 176.117 -0.054 0.000 1.093 57 I CA 1.636 62.918 61.300 -0.031 0.000 1.380 57 I CB -1.464 36.529 38.000 -0.012 0.000 1.067 57 I HN 0.354 nan 8.210 nan 0.000 0.413 58 L N -0.781 120.392 121.223 -0.082 0.000 2.079 58 L HA -0.249 4.091 4.340 0.000 0.000 0.210 58 L C 2.626 179.258 176.870 -0.397 0.000 1.081 58 L CA 1.409 56.076 54.840 -0.288 0.000 0.752 58 L CB -0.593 41.350 42.059 -0.194 0.000 0.896 58 L HN 0.450 nan 8.230 nan 0.000 0.433 59 W N 0.478 121.606 121.300 -0.286 0.000 2.355 59 W HA -0.196 4.464 4.660 0.000 0.000 0.309 59 W C 2.194 178.654 176.519 -0.098 0.000 1.206 59 W CA 1.722 58.969 57.345 -0.163 0.000 1.284 59 W CB 0.037 29.440 29.460 -0.096 0.000 1.145 59 W HN -0.061 nan 8.180 nan 0.000 0.502 60 V N 0.359 120.263 119.914 -0.017 0.000 2.379 60 V HA -0.277 3.844 4.120 0.000 0.000 0.245 60 V C 2.156 178.197 176.094 -0.088 0.000 1.044 60 V CA 1.491 63.743 62.300 -0.080 0.000 1.036 60 V CB -0.993 30.810 31.823 -0.034 0.000 0.664 60 V HN 0.004 nan 8.190 nan 0.000 0.453 61 V N 0.228 120.088 119.914 -0.090 0.000 2.261 61 V HA -0.240 3.880 4.120 0.000 0.000 0.246 61 V C 1.948 178.083 176.094 0.069 0.000 1.047 61 V CA 2.928 65.225 62.300 -0.005 0.000 1.015 61 V CB -0.583 31.270 31.823 0.050 0.000 0.642 61 V HN 0.886 nan 8.190 nan 0.000 0.446 62 Y N -2.464 117.831 120.300 -0.009 0.000 2.532 62 Y HA 0.530 5.080 4.550 0.001 0.000 0.282 62 Y C 1.855 177.701 175.900 -0.090 0.000 1.013 62 Y CA 0.296 58.382 58.100 -0.024 0.000 1.159 62 Y CB -0.596 37.859 38.460 -0.008 0.000 1.393 62 Y HN -0.024 nan 8.280 nan 0.000 0.580 63 G N 1.370 109.878 108.800 -0.487 0.000 2.459 63 G HA2 -0.377 3.583 3.960 0.000 0.000 0.217 63 G HA3 -0.377 3.583 3.960 0.000 0.000 0.217 63 G C 1.448 175.851 174.900 -0.829 0.000 1.183 63 G CA 1.650 46.482 45.100 -0.446 0.000 0.776 63 G HN 0.521 nan 8.290 nan 0.000 0.552 64 Y N 1.557 121.017 120.300 -1.400 0.000 2.165 64 Y HA -0.154 4.397 4.550 0.001 0.000 0.286 64 Y C 3.157 178.984 175.900 -0.122 0.000 1.155 64 Y CA 1.911 59.395 58.100 -1.027 0.000 1.164 64 Y CB -0.533 37.479 38.460 -0.747 0.000 0.978 64 Y HN 0.247 nan 8.280 nan 0.000 0.513 65 S N -0.230 115.484 115.700 0.023 0.000 2.368 65 S HA -0.177 4.293 4.470 0.000 0.000 0.225 65 S C 2.029 176.594 174.600 -0.059 0.000 1.030 65 S CA 1.637 59.920 58.200 0.138 0.000 0.999 65 S CB -0.578 62.745 63.200 0.204 0.000 0.844 65 S HN 0.546 nan 8.310 nan 0.000 0.459 66 L N 0.429 121.628 121.223 -0.041 0.000 2.217 66 L HA 0.056 4.396 4.340 0.000 0.000 0.211 66 L C 2.684 179.489 176.870 -0.108 0.000 1.107 66 L CA 0.985 55.815 54.840 -0.017 0.000 0.783 66 L CB -0.432 41.714 42.059 0.145 0.000 0.919 66 L HN 0.426 nan 8.230 nan 0.000 0.442 67 A N -0.925 121.788 122.820 -0.178 0.000 1.911 67 A HA -0.000 4.320 4.320 0.000 0.000 0.212 67 A C 1.593 178.885 177.584 -0.487 0.000 1.189 67 A CA 0.850 52.703 52.037 -0.308 0.000 0.639 67 A CB -0.233 18.641 19.000 -0.211 0.000 0.839 67 A HN 0.334 nan 8.150 nan 0.000 0.449 68 F N -0.115 119.762 119.950 -0.122 0.000 2.682 68 F HA 0.322 4.849 4.527 0.001 0.000 0.308 68 F C 1.581 177.387 175.800 0.009 0.000 1.093 68 F CA -0.286 57.685 58.000 -0.048 0.000 1.244 68 F CB 0.032 38.907 39.000 -0.209 0.000 1.052 68 F HN 0.214 nan 8.300 nan 0.000 0.573 69 G N 0.265 109.003 108.800 -0.104 0.000 2.599 69 G HA2 0.163 4.123 3.960 0.000 0.000 0.264 69 G HA3 0.163 4.123 3.960 0.000 0.000 0.264 69 G C -0.619 174.142 174.900 -0.231 0.000 1.200 69 G CA -0.394 44.377 45.100 -0.548 0.000 0.896 69 G HN 0.136 nan 8.290 nan 0.000 0.536 70 E N -0.444 119.589 120.200 -0.278 0.000 2.259 70 E HA 0.486 4.837 4.350 0.000 0.000 0.281 70 E C 0.550 177.090 176.600 -0.099 0.000 1.027 70 E CA 0.167 56.514 56.400 -0.090 0.000 0.838 70 E CB 0.994 30.647 29.700 -0.079 0.000 1.066 70 E HN 0.515 nan 8.360 nan 0.000 0.401 71 G N 3.957 112.745 108.800 -0.019 0.000 3.246 71 G HA2 0.065 4.025 3.960 0.000 0.000 0.160 71 G HA3 0.065 4.025 3.960 0.000 0.000 0.160 71 G C -0.388 174.521 174.900 0.015 0.000 1.458 71 G CA 0.250 45.320 45.100 -0.050 0.000 1.139 71 G HN 0.635 nan 8.290 nan 0.000 0.750 72 N N -1.149 117.581 118.700 0.050 0.000 3.513 72 N HA 0.292 5.032 4.740 0.000 0.000 0.351 72 N C 0.355 175.912 175.510 0.080 0.000 1.624 72 N CA -0.580 52.514 53.050 0.074 0.000 0.712 72 N CB 0.161 38.717 38.487 0.114 0.000 2.106 72 N HN 0.046 nan 8.380 nan 0.000 0.649 73 N N -1.140 117.486 118.700 -0.122 0.000 2.396 73 N HA 0.088 4.828 4.740 0.000 0.000 0.180 73 N C 0.164 175.305 175.510 -0.614 0.000 1.028 73 N CA 1.007 53.774 53.050 -0.471 0.000 0.893 73 N CB -0.234 37.745 38.487 -0.847 0.000 0.967 73 N HN 0.457 nan 8.380 nan 0.000 0.440 74 F N -1.885 118.113 119.950 0.078 0.000 2.637 74 F HA 0.346 4.874 4.527 0.002 0.000 0.284 74 F C 0.277 175.785 175.800 -0.487 0.000 1.105 74 F CA -0.192 57.732 58.000 -0.127 0.000 1.356 74 F CB 0.261 39.287 39.000 0.042 0.000 1.096 74 F HN -0.245 nan 8.300 nan 0.000 0.616 75 F N -0.609 119.212 119.950 -0.215 0.000 2.613 75 F HA 0.634 5.161 4.527 0.000 0.000 0.314 75 F C 0.946 176.195 175.800 -0.918 0.000 1.075 75 F CA -1.231 56.449 58.000 -0.533 0.000 0.945 75 F CB 1.061 39.945 39.000 -0.193 0.000 1.310 75 F HN -0.097 nan 8.300 nan 0.000 0.467 76 G N 0.781 109.227 108.800 -0.589 0.000 3.311 76 G HA2 0.371 4.332 3.960 0.000 0.000 0.169 76 G HA3 0.371 4.332 3.960 0.000 0.000 0.169 76 G C -0.719 174.055 174.900 -0.209 0.000 1.852 76 G CA 0.170 45.030 45.100 -0.401 0.000 1.010 76 G HN 0.756 nan 8.290 nan 0.000 0.530 77 N N -2.119 116.459 118.700 -0.202 0.000 3.316 77 N HA 0.370 5.110 4.740 0.000 0.000 0.300 77 N C -0.116 175.311 175.510 -0.139 0.000 1.567 77 N CA -0.473 52.470 53.050 -0.177 0.000 0.821 77 N CB 0.848 39.203 38.487 -0.220 0.000 1.748 77 N HN 0.557 nan 8.380 nan 0.000 0.603 78 I N -3.952 116.549 120.570 -0.116 0.000 3.877 78 I HA 0.456 4.627 4.170 0.000 0.000 0.332 78 I C -0.307 175.789 176.117 -0.035 0.000 1.525 78 I CA -0.535 60.733 61.300 -0.053 0.000 1.146 78 I CB -0.525 37.445 38.000 -0.050 0.000 1.137 78 I HN 0.379 nan 8.210 nan 0.000 0.424 79 N N 0.513 119.143 118.700 -0.116 0.000 2.463 79 N HA 0.003 4.743 4.740 0.000 0.000 0.181 79 N C 0.109 175.685 175.510 0.109 0.000 1.078 79 N CA 0.392 53.390 53.050 -0.088 0.000 0.902 79 N CB 0.123 38.474 38.487 -0.226 0.000 0.970 79 N HN 0.476 nan 8.380 nan 0.000 0.451 80 W N 1.259 122.591 121.300 0.053 0.000 2.390 80 W HA 0.367 5.028 4.660 0.001 0.000 0.397 80 W C -0.700 175.853 176.519 0.056 0.000 0.839 80 W CA -1.085 56.306 57.345 0.076 0.000 2.576 80 W CB -0.777 28.769 29.460 0.143 0.000 1.346 80 W HN -0.071 nan 8.180 nan 0.000 0.708 81 L N 1.973 123.330 121.223 0.224 0.000 2.477 81 L HA 0.011 4.351 4.340 0.000 0.000 0.272 81 L C 1.240 178.181 176.870 0.117 0.000 1.157 81 L CA 0.483 55.415 54.840 0.152 0.000 0.889 81 L CB 0.077 42.206 42.059 0.115 0.000 1.158 81 L HN 0.056 nan 8.230 nan 0.000 0.473 82 M N 4.549 124.196 119.600 0.078 0.000 2.682 82 M HA -0.249 4.231 4.480 0.000 0.000 0.196 82 M C 0.713 177.023 176.300 0.017 0.000 0.542 82 M CA 0.567 55.889 55.300 0.037 0.000 0.593 82 M CB -1.546 31.082 32.600 0.047 0.000 2.183 82 M HN 0.731 nan 8.290 nan 0.000 0.663 83 L N -2.209 119.026 121.223 0.020 0.000 4.232 83 L HA -0.258 4.082 4.340 0.000 0.000 0.415 83 L C 0.767 177.660 176.870 0.038 0.000 1.168 83 L CA 1.246 56.057 54.840 -0.048 0.000 0.966 83 L CB -1.609 40.282 42.059 -0.280 0.000 2.052 83 L HN 0.578 nan 8.230 nan 0.000 0.887 84 K N 1.548 122.018 120.400 0.117 0.000 2.436 84 K HA 0.050 4.370 4.320 0.000 0.000 0.275 84 K C 1.212 177.933 176.600 0.202 0.000 0.999 84 K CA 0.648 57.016 56.287 0.136 0.000 0.980 84 K CB 0.354 32.932 32.500 0.130 0.000 0.919 84 K HN 0.326 nan 8.250 nan 0.000 0.484 85 N N 0.829 119.628 118.700 0.165 0.000 2.965 85 N HA -0.214 4.526 4.740 0.000 0.000 0.232 85 N C -0.800 174.800 175.510 0.150 0.000 0.913 85 N CA 1.272 54.442 53.050 0.201 0.000 0.981 85 N CB -1.248 37.425 38.487 0.310 0.000 1.077 85 N HN 0.544 nan 8.380 nan 0.000 0.589 86 I N 1.886 122.475 120.570 0.033 0.000 2.306 86 I HA 0.100 4.270 4.170 0.000 0.000 0.288 86 I C 0.600 176.754 176.117 0.061 0.000 1.036 86 I CA -0.424 60.834 61.300 -0.071 0.000 1.221 86 I CB 0.920 38.751 38.000 -0.282 0.000 1.385 86 I HN -0.147 nan 8.210 nan 0.000 0.472 87 E N 4.392 124.617 120.200 0.041 0.000 2.392 87 E HA -0.023 4.328 4.350 0.000 0.000 0.264 87 E C 0.848 177.425 176.600 -0.038 0.000 1.024 87 E CA -0.194 56.214 56.400 0.014 0.000 0.903 87 E CB 1.280 30.990 29.700 0.017 0.000 0.963 87 E HN 0.450 nan 8.360 nan 0.000 0.432 88 L N 3.791 124.915 121.223 -0.165 0.000 2.129 88 L HA -0.200 4.140 4.340 0.000 0.000 0.212 88 L C 1.959 178.627 176.870 -0.338 0.000 1.087 88 L CA 2.423 57.016 54.840 -0.412 0.000 0.757 88 L CB -0.844 40.955 42.059 -0.433 0.000 0.896 88 L HN 0.655 nan 8.230 nan 0.000 0.434 89 T N -2.947 111.507 114.554 -0.166 0.000 3.188 89 T HA 0.448 4.798 4.350 0.000 0.000 0.250 89 T C 0.794 175.614 174.700 0.200 0.000 1.077 89 T CA 0.082 62.170 62.100 -0.019 0.000 0.967 89 T CB -0.621 68.257 68.868 0.017 0.000 1.006 89 T HN 0.375 nan 8.240 nan 0.000 0.552 90 A N 1.304 124.198 122.820 0.122 0.000 2.477 90 A HA 0.558 4.878 4.320 0.000 0.000 0.246 90 A C 0.154 177.830 177.584 0.153 0.000 1.078 90 A CA -0.382 51.722 52.037 0.111 0.000 0.770 90 A CB 0.200 19.230 19.000 0.051 0.000 1.011 90 A HN 0.391 nan 8.150 nan 0.000 0.494 91 V N 3.192 123.144 119.914 0.063 0.000 2.513 91 V HA 0.553 4.674 4.120 0.000 0.000 0.299 91 V C -0.123 175.943 176.094 -0.046 0.000 1.035 91 V CA -0.404 61.883 62.300 -0.023 0.000 0.889 91 V CB 1.470 33.241 31.823 -0.088 0.000 0.988 91 V HN 0.957 nan 8.190 nan 0.000 0.440 92 M N 4.669 124.214 119.600 -0.091 0.000 2.093 92 M HA 0.725 5.205 4.480 0.000 0.000 0.297 92 M C 0.353 176.556 176.300 -0.161 0.000 0.938 92 M CA 0.915 56.120 55.300 -0.157 0.000 0.920 92 M CB 0.605 33.023 32.600 -0.303 0.000 1.517 92 M HN 1.067 nan 8.290 nan 0.000 0.427 93 G N 3.259 111.987 108.800 -0.121 0.000 2.557 93 G HA2 -0.296 3.664 3.960 0.000 0.000 0.292 93 G HA3 -0.296 3.664 3.960 0.000 0.000 0.292 93 G C 0.335 175.178 174.900 -0.094 0.000 1.162 93 G CA 0.670 45.711 45.100 -0.097 0.000 0.964 93 G HN 1.578 nan 8.290 nan 0.000 0.541 94 S N 0.310 115.949 115.700 -0.102 0.000 2.730 94 S HA 0.623 5.094 4.470 0.000 0.000 0.244 94 S C 0.590 175.093 174.600 -0.161 0.000 1.022 94 S CA 0.553 58.683 58.200 -0.116 0.000 1.014 94 S CB -0.318 62.830 63.200 -0.086 0.000 0.963 94 S HN 1.666 nan 8.310 nan 0.000 0.540 95 I N -2.600 117.872 120.570 -0.163 0.000 3.002 95 I HA 0.700 4.871 4.170 0.000 0.000 0.310 95 I C -0.985 175.022 176.117 -0.184 0.000 1.087 95 I CA -1.789 59.403 61.300 -0.181 0.000 1.017 95 I CB 0.844 38.797 38.000 -0.077 0.000 1.226 95 I HN -0.141 nan 8.210 nan 0.000 0.443 96 Y N 1.814 122.107 120.300 -0.012 0.000 2.597 96 Y HA 0.014 4.564 4.550 0.000 0.000 0.336 96 Y C 1.692 177.603 175.900 0.019 0.000 1.216 96 Y CA 0.442 58.539 58.100 -0.005 0.000 1.463 96 Y CB 0.515 38.970 38.460 -0.009 0.000 1.303 96 Y HN 0.682 nan 8.280 nan 0.000 0.576 97 Q N 1.981 121.892 119.800 0.186 0.000 2.135 97 Q HA -0.242 4.098 4.340 0.000 0.000 0.204 97 Q C 1.371 177.413 176.000 0.071 0.000 0.981 97 Q CA 1.704 57.554 55.803 0.078 0.000 0.856 97 Q CB -0.232 28.492 28.738 -0.023 0.000 0.902 97 Q HN 0.912 nan 8.270 nan 0.000 0.425 98 Y N 0.093 120.353 120.300 -0.065 0.000 2.207 98 Y HA -0.259 4.292 4.550 0.001 0.000 0.287 98 Y C 1.993 177.858 175.900 -0.060 0.000 1.156 98 Y CA 1.210 59.244 58.100 -0.109 0.000 1.182 98 Y CB 0.070 38.475 38.460 -0.091 0.000 0.979 98 Y HN 0.189 nan 8.280 nan 0.000 0.521 99 I N -1.187 119.480 120.570 0.161 0.000 2.252 99 I HA -0.334 3.836 4.170 0.000 0.000 0.245 99 I C 2.515 178.678 176.117 0.077 0.000 1.102 99 I CA 1.384 62.747 61.300 0.105 0.000 1.385 99 I CB -0.621 37.440 38.000 0.100 0.000 1.064 99 I HN 0.373 nan 8.210 nan 0.000 0.414 100 H N 1.191 120.240 119.070 -0.035 0.000 2.353 100 H HA -0.136 4.420 4.556 0.000 0.000 0.300 100 H C 2.302 177.595 175.328 -0.059 0.000 1.090 100 H CA 1.912 57.930 56.048 -0.050 0.000 1.327 100 H CB 0.228 29.950 29.762 -0.067 0.000 1.383 100 H HN 0.115 nan 8.280 nan 0.000 0.508 101 V N 1.352 121.108 119.914 -0.263 0.000 2.255 101 V HA -0.286 3.834 4.120 0.000 0.000 0.247 101 V C 3.075 179.145 176.094 -0.040 0.000 1.051 101 V CA 1.775 63.788 62.300 -0.478 0.000 1.018 101 V CB -1.222 30.121 31.823 -0.799 0.000 0.641 101 V HN 0.595 nan 8.190 nan 0.000 0.445 102 A N -0.714 122.076 122.820 -0.050 0.000 1.902 102 A HA -0.231 4.089 4.320 0.000 0.000 0.217 102 A C 2.118 179.703 177.584 0.002 0.000 1.181 102 A CA 2.020 54.056 52.037 -0.002 0.000 0.623 102 A CB -0.726 18.290 19.000 0.028 0.000 0.818 102 A HN 0.502 nan 8.150 nan 0.000 0.443 103 F N 0.675 120.547 119.950 -0.129 0.000 2.075 103 F HA -0.210 4.317 4.527 0.001 0.000 0.297 103 F C 2.567 178.261 175.800 -0.178 0.000 1.113 103 F CA 2.212 60.128 58.000 -0.140 0.000 1.218 103 F CB -0.242 38.639 39.000 -0.197 0.000 0.984 103 F HN 0.205 nan 8.300 nan 0.000 0.472 104 Q N 0.225 119.866 119.800 -0.265 0.000 2.124 104 Q HA -0.112 4.228 4.340 0.000 0.000 0.202 104 Q C 2.562 178.264 176.000 -0.496 0.000 0.977 104 Q CA 1.445 57.059 55.803 -0.315 0.000 0.850 104 Q CB -1.429 27.253 28.738 -0.094 0.000 0.901 104 Q HN 0.572 nan 8.270 nan 0.000 0.429 105 G N 1.078 109.484 108.800 -0.658 0.000 2.422 105 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 105 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 105 G C 1.664 176.137 174.900 -0.711 0.000 1.146 105 G CA 1.407 45.700 45.100 -1.345 0.000 0.769 105 G HN 0.519 nan 8.290 nan 0.000 0.547 106 S N 0.171 115.642 115.700 -0.381 0.000 2.399 106 S HA -0.027 4.443 4.470 0.000 0.000 0.231 106 S C 2.055 176.507 174.600 -0.247 0.000 1.022 106 S CA 0.964 59.023 58.200 -0.234 0.000 0.983 106 S CB -0.483 62.626 63.200 -0.150 0.000 0.803 106 S HN 0.173 nan 8.310 nan 0.000 0.480 107 F N 2.427 122.090 119.950 -0.479 0.000 2.206 107 F HA 0.272 4.799 4.527 0.000 0.000 0.298 107 F C 2.837 178.433 175.800 -0.339 0.000 1.090 107 F CA 0.309 58.124 58.000 -0.308 0.000 1.323 107 F CB -1.006 37.840 39.000 -0.258 0.000 1.028 107 F HN 0.309 nan 8.300 nan 0.000 0.492 108 A N -0.989 121.520 122.820 -0.519 0.000 1.902 108 A HA -0.198 4.122 4.320 0.000 0.000 0.217 108 A C 2.346 179.639 177.584 -0.485 0.000 1.181 108 A CA 1.817 53.251 52.037 -1.005 0.000 0.623 108 A CB -1.485 16.850 19.000 -1.108 0.000 0.818 108 A HN 0.463 nan 8.150 nan 0.000 0.443 109 C N -1.270 117.830 119.300 -0.333 0.000 2.432 109 C HA -0.094 4.366 4.460 0.000 0.000 0.277 109 C C 2.476 177.455 174.990 -0.018 0.000 1.249 109 C CA 1.127 60.079 59.018 -0.110 0.000 1.725 109 C CB -1.239 26.501 27.740 -0.000 0.000 2.028 109 C HN 0.688 nan 8.230 nan 0.000 0.477 110 I N 1.192 121.712 120.570 -0.083 0.000 2.315 110 I HA -0.143 4.027 4.170 0.000 0.000 0.248 110 I C 2.358 178.449 176.117 -0.043 0.000 1.117 110 I CA 1.861 63.105 61.300 -0.094 0.000 1.404 110 I CB -0.725 37.142 38.000 -0.223 0.000 1.071 110 I HN 0.290 nan 8.210 nan 0.000 0.419 111 T N -0.194 114.355 114.554 -0.008 0.000 2.684 111 T HA -0.152 4.198 4.350 0.000 0.000 0.267 111 T C 2.033 176.806 174.700 0.122 0.000 1.036 111 T CA 1.880 64.052 62.100 0.120 0.000 1.148 111 T CB -0.552 68.481 68.868 0.277 0.000 0.863 111 T HN 0.210 nan 8.240 nan 0.000 0.436 112 V N 1.339 121.309 119.914 0.094 0.000 2.427 112 V HA -0.052 4.068 4.120 0.000 0.000 0.248 112 V C 2.868 179.013 176.094 0.085 0.000 1.051 112 V CA 1.832 64.195 62.300 0.105 0.000 1.048 112 V CB -1.299 30.591 31.823 0.113 0.000 0.666 112 V HN 0.608 nan 8.190 nan 0.000 0.456 113 G N -0.221 108.626 108.800 0.080 0.000 2.422 113 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 113 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 113 G C 1.590 176.563 174.900 0.122 0.000 1.146 113 G CA 0.871 46.023 45.100 0.088 0.000 0.769 113 G HN 0.461 nan 8.290 nan 0.000 0.547 114 L N -0.072 121.214 121.223 0.105 0.000 2.042 114 L HA -0.077 4.263 4.340 0.000 0.000 0.210 114 L C 2.843 179.868 176.870 0.258 0.000 1.076 114 L CA 0.928 55.864 54.840 0.160 0.000 0.749 114 L CB -0.323 41.748 42.059 0.020 0.000 0.893 114 L HN 0.242 nan 8.230 nan 0.000 0.432 115 I N -1.426 119.251 120.570 0.178 0.000 2.235 115 I HA -0.199 3.971 4.170 0.000 0.000 0.241 115 I C 2.412 178.567 176.117 0.064 0.000 1.085 115 I CA 0.740 62.137 61.300 0.161 0.000 1.378 115 I CB -0.324 37.637 38.000 -0.065 0.000 1.076 115 I HN -0.047 nan 8.210 nan 0.000 0.415 116 V N 1.350 121.274 119.914 0.017 0.000 2.343 116 V HA -0.214 3.906 4.120 0.000 0.000 0.247 116 V C 2.647 178.642 176.094 -0.165 0.000 1.051 116 V CA 2.209 64.482 62.300 -0.045 0.000 1.036 116 V CB -1.549 30.272 31.823 -0.002 0.000 0.654 116 V HN 0.587 nan 8.190 nan 0.000 0.451 117 G N -0.377 108.293 108.800 -0.217 0.000 2.440 117 G HA2 -0.231 3.729 3.960 0.000 0.000 0.218 117 G HA3 -0.231 3.729 3.960 0.000 0.000 0.218 117 G C 1.718 175.945 174.900 -1.122 0.000 1.154 117 G CA 1.164 45.949 45.100 -0.526 0.000 0.767 117 G HN 0.626 nan 8.290 nan 0.000 0.552 118 A N 0.115 122.248 122.820 -1.145 0.000 1.930 118 A HA 0.294 4.614 4.320 0.000 0.000 0.215 118 A C 2.300 179.721 177.584 -0.271 0.000 1.176 118 A CA 0.870 52.447 52.037 -0.766 0.000 0.632 118 A CB -0.205 18.509 19.000 -0.477 0.000 0.819 118 A HN 0.334 nan 8.150 nan 0.000 0.445 119 L N -0.891 120.240 121.223 -0.152 0.000 2.509 119 L HA 0.077 4.417 4.340 0.000 0.000 0.222 119 L C 2.791 179.576 176.870 -0.142 0.000 1.123 119 L CA 0.453 55.225 54.840 -0.113 0.000 0.856 119 L CB -0.327 41.667 42.059 -0.107 0.000 0.985 119 L HN 0.401 nan 8.230 nan 0.000 0.456 120 A N 0.524 123.239 122.820 -0.175 0.000 1.927 120 A HA -0.277 4.044 4.320 0.000 0.000 0.220 120 A C 2.168 179.670 177.584 -0.138 0.000 1.185 120 A CA 1.910 53.843 52.037 -0.173 0.000 0.639 120 A CB -0.396 18.490 19.000 -0.190 0.000 0.820 120 A HN 0.452 nan 8.150 nan 0.000 0.451 121 E N -0.805 119.321 120.200 -0.122 0.000 2.097 121 E HA -0.227 4.123 4.350 0.000 0.000 0.196 121 E C 2.113 178.665 176.600 -0.079 0.000 1.000 121 E CA 1.563 57.909 56.400 -0.091 0.000 0.804 121 E CB -0.119 29.532 29.700 -0.081 0.000 0.740 121 E HN 0.727 nan 8.360 nan 0.000 0.454 122 R N -0.367 120.081 120.500 -0.087 0.000 2.308 122 R HA 0.287 4.627 4.340 0.000 0.000 0.202 122 R C 0.983 177.235 176.300 -0.080 0.000 0.898 122 R CA -0.058 55.994 56.100 -0.081 0.000 1.046 122 R CB 0.516 30.762 30.300 -0.090 0.000 1.026 122 R HN 0.082 nan 8.270 nan 0.000 0.512 123 I N 1.553 122.072 120.570 -0.084 0.000 2.460 123 I HA 0.220 4.391 4.170 0.000 0.000 0.298 123 I C -0.037 176.060 176.117 -0.033 0.000 0.989 123 I CA -1.314 59.949 61.300 -0.062 0.000 1.173 123 I CB 1.558 39.517 38.000 -0.067 0.000 1.338 123 I HN -0.001 nan 8.210 nan 0.000 0.456 124 R N 5.221 125.727 120.500 0.010 0.000 2.590 124 R HA 0.015 4.355 4.340 0.000 0.000 0.274 124 R C 0.536 176.904 176.300 0.113 0.000 1.061 124 R CA 0.239 56.376 56.100 0.061 0.000 1.081 124 R CB 0.465 30.806 30.300 0.068 0.000 0.984 124 R HN 0.752 nan 8.270 nan 0.000 0.448 125 F N 2.126 122.091 119.950 0.025 0.000 2.043 125 F HA -0.353 4.174 4.527 0.000 0.000 0.297 125 F C 2.513 178.343 175.800 0.049 0.000 1.121 125 F CA 2.290 60.312 58.000 0.036 0.000 1.199 125 F CB -0.011 39.008 39.000 0.031 0.000 0.968 125 F HN 0.743 nan 8.300 nan 0.000 0.478 126 S N 0.239 116.139 115.700 0.333 0.000 2.399 126 S HA -0.190 4.281 4.470 0.000 0.000 0.231 126 S C 2.018 176.727 174.600 0.181 0.000 1.022 126 S CA 0.787 59.113 58.200 0.210 0.000 0.983 126 S CB -0.948 62.322 63.200 0.117 0.000 0.803 126 S HN 0.422 nan 8.310 nan 0.000 0.480 127 A N 1.076 123.991 122.820 0.160 0.000 1.969 127 A HA 0.134 4.454 4.320 0.000 0.000 0.218 127 A C 2.377 180.069 177.584 0.180 0.000 1.169 127 A CA 1.256 53.379 52.037 0.144 0.000 0.635 127 A CB -0.995 18.070 19.000 0.109 0.000 0.810 127 A HN 0.498 nan 8.150 nan 0.000 0.445 128 V N -0.018 119.995 119.914 0.165 0.000 2.453 128 V HA -0.150 3.970 4.120 0.000 0.000 0.247 128 V C 2.332 178.564 176.094 0.231 0.000 1.048 128 V CA 1.830 64.234 62.300 0.174 0.000 1.049 128 V CB -0.400 31.449 31.823 0.043 0.000 0.672 128 V HN 0.582 nan 8.190 nan 0.000 0.457 129 L N -0.550 120.812 121.223 0.231 0.000 2.046 129 L HA -0.168 4.172 4.340 0.000 0.000 0.208 129 L C 2.378 179.351 176.870 0.170 0.000 1.077 129 L CA 1.925 56.893 54.840 0.213 0.000 0.747 129 L CB -0.512 41.682 42.059 0.225 0.000 0.896 129 L HN 0.279 nan 8.230 nan 0.000 0.432 130 I N -0.863 119.806 120.570 0.164 0.000 2.179 130 I HA -0.331 3.840 4.170 0.000 0.000 0.242 130 I C 2.508 178.699 176.117 0.123 0.000 1.088 130 I CA 1.461 62.838 61.300 0.129 0.000 1.357 130 I CB -0.315 37.755 38.000 0.118 0.000 1.051 130 I HN 0.158 nan 8.210 nan 0.000 0.409 131 F N 1.330 121.293 119.950 0.022 0.000 2.095 131 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 131 F C 2.331 178.154 175.800 0.038 0.000 1.104 131 F CA 1.608 59.576 58.000 -0.054 0.000 1.232 131 F CB -0.448 38.437 39.000 -0.191 0.000 0.987 131 F HN -0.233 nan 8.300 nan 0.000 0.475 132 V N -0.030 119.905 119.914 0.034 0.000 2.287 132 V HA -0.320 3.800 4.120 0.000 0.000 0.248 132 V C 2.435 178.537 176.094 0.014 0.000 1.053 132 V CA 1.756 64.062 62.300 0.012 0.000 1.027 132 V CB -0.849 31.062 31.823 0.147 0.000 0.646 132 V HN 0.320 nan 8.190 nan 0.000 0.447 133 V N -0.285 119.662 119.914 0.054 0.000 2.255 133 V HA -0.255 3.866 4.120 0.000 0.000 0.247 133 V C 2.404 178.536 176.094 0.062 0.000 1.051 133 V CA 2.168 64.523 62.300 0.092 0.000 1.018 133 V CB -0.581 31.304 31.823 0.104 0.000 0.641 133 V HN 0.404 nan 8.190 nan 0.000 0.445 134 V N -1.407 118.501 119.914 -0.010 0.000 2.261 134 V HA -0.300 3.820 4.120 0.000 0.000 0.246 134 V C 1.997 178.068 176.094 -0.039 0.000 1.047 134 V CA 2.542 64.826 62.300 -0.027 0.000 1.015 134 V CB -0.757 31.036 31.823 -0.050 0.000 0.642 134 V HN 0.768 nan 8.190 nan 0.000 0.446 135 W N 0.093 121.147 121.300 -0.410 0.000 2.388 135 W HA -0.127 4.532 4.660 -0.001 0.000 0.294 135 W C 2.190 178.657 176.519 -0.086 0.000 1.212 135 W CA 1.607 58.724 57.345 -0.380 0.000 1.271 135 W CB -0.182 28.717 29.460 -0.935 0.000 1.126 135 W HN 0.199 nan 8.180 nan 0.000 0.535 136 L N 0.350 121.643 121.223 0.118 0.000 2.017 136 L HA -0.173 4.167 4.340 0.000 0.000 0.208 136 L C 2.337 179.279 176.870 0.120 0.000 1.073 136 L CA 2.773 57.690 54.840 0.127 0.000 0.745 136 L CB -1.261 40.913 42.059 0.193 0.000 0.894 136 L HN -0.113 nan 8.230 nan 0.000 0.432 137 T N -0.189 114.466 114.554 0.169 0.000 2.708 137 T HA -0.128 4.222 4.350 0.000 0.000 0.266 137 T C 1.765 176.596 174.700 0.218 0.000 1.037 137 T CA 1.946 64.196 62.100 0.251 0.000 1.146 137 T CB -0.245 68.757 68.868 0.223 0.000 0.865 137 T HN 0.298 nan 8.240 nan 0.000 0.435 138 L N -0.145 121.150 121.223 0.119 0.000 2.554 138 L HA 0.295 4.635 4.340 0.000 0.000 0.225 138 L C 2.327 179.297 176.870 0.166 0.000 1.104 138 L CA 0.254 55.213 54.840 0.198 0.000 0.866 138 L CB 0.066 42.208 42.059 0.139 0.000 1.047 138 L HN 0.206 nan 8.230 nan 0.000 0.468 139 S N -1.311 114.273 115.700 -0.195 0.000 3.066 139 S HA -0.019 4.451 4.470 0.000 0.000 0.235 139 S C 1.741 175.980 174.600 -0.601 0.000 0.995 139 S CA -0.128 57.834 58.200 -0.396 0.000 0.835 139 S CB -0.251 62.366 63.200 -0.973 0.000 0.814 139 S HN 0.309 nan 8.310 nan 0.000 0.594 140 Y N 2.499 122.278 120.300 -0.869 0.000 2.097 140 Y HA -0.081 4.469 4.550 0.000 0.000 0.282 140 Y C 1.967 177.714 175.900 -0.255 0.000 1.152 140 Y CA 2.137 59.924 58.100 -0.522 0.000 1.136 140 Y CB -0.406 37.858 38.460 -0.326 0.000 0.975 140 Y HN 0.309 nan 8.280 nan 0.000 0.498 141 I N 0.186 120.750 120.570 -0.010 0.000 2.099 141 I HA -0.276 3.895 4.170 0.000 0.000 0.239 141 I C -0.642 175.269 176.117 -0.343 0.000 1.066 141 I CA 1.577 62.874 61.300 -0.006 0.000 1.324 141 I CB -1.575 36.538 38.000 0.188 0.000 1.037 141 I HN 0.224 nan 8.210 nan 0.000 0.401 142 P HA -0.138 nan 4.420 nan 0.000 0.216 142 P C 1.870 178.688 177.300 -0.803 0.000 1.153 142 P CA 1.626 64.205 63.100 -0.868 0.000 0.848 142 P CB -0.057 31.041 31.700 -1.004 0.000 0.787 143 I N -0.605 119.448 120.570 -0.861 0.000 2.226 143 I HA -0.236 3.934 4.170 0.000 0.000 0.245 143 I C 2.368 178.047 176.117 -0.731 0.000 1.100 143 I CA 1.437 62.251 61.300 -0.811 0.000 1.374 143 I CB -0.798 36.764 38.000 -0.729 0.000 1.057 143 I HN -0.088 nan 8.210 nan 0.000 0.413 144 A N 0.167 122.536 122.820 -0.751 0.000 1.902 144 A HA -0.306 4.014 4.320 0.000 0.000 0.217 144 A C 2.192 179.466 177.584 -0.517 0.000 1.181 144 A CA 2.124 53.778 52.037 -0.639 0.000 0.623 144 A CB -0.985 17.744 19.000 -0.451 0.000 0.818 144 A HN 0.522 nan 8.150 nan 0.000 0.443 145 H N -0.652 118.060 119.070 -0.597 0.000 2.353 145 H HA -0.021 4.536 4.556 0.001 0.000 0.300 145 H C 1.971 177.047 175.328 -0.420 0.000 1.090 145 H CA 2.191 57.925 56.048 -0.523 0.000 1.327 145 H CB -0.225 29.252 29.762 -0.475 0.000 1.383 145 H HN 0.410 nan 8.280 nan 0.000 0.508 146 M N -0.828 118.491 119.600 -0.468 0.000 2.159 146 M HA -0.133 4.347 4.480 0.000 0.000 0.263 146 M C 1.980 178.036 176.300 -0.405 0.000 1.063 146 M CA 1.228 56.255 55.300 -0.455 0.000 1.110 146 M CB 0.223 32.542 32.600 -0.469 0.000 1.374 146 M HN 0.217 nan 8.290 nan 0.000 0.411 147 V N -2.261 117.376 119.914 -0.462 0.000 2.492 147 V HA -0.106 4.014 4.120 0.000 0.000 0.241 147 V C 1.414 177.359 176.094 -0.248 0.000 1.041 147 V CA 1.109 63.142 62.300 -0.446 0.000 1.057 147 V CB -0.175 31.202 31.823 -0.744 0.000 0.711 147 V HN 0.553 nan 8.190 nan 0.000 0.468 148 W N 0.030 121.227 121.300 -0.171 0.000 2.998 148 W HA 0.483 5.144 4.660 0.001 0.000 0.336 148 W C 1.645 178.164 176.519 -0.000 0.000 1.112 148 W CA 0.321 57.649 57.345 -0.028 0.000 1.682 148 W CB -0.113 29.416 29.460 0.116 0.000 1.065 148 W HN 0.318 nan 8.180 nan 0.000 0.570 149 G N -0.364 108.368 108.800 -0.112 0.000 3.707 149 G HA2 0.377 4.337 3.960 0.000 0.000 0.286 149 G HA3 0.377 4.337 3.960 0.000 0.000 0.286 149 G C 1.171 175.814 174.900 -0.427 0.000 1.112 149 G CA 0.156 45.105 45.100 -0.252 0.000 0.861 149 G HN 0.235 nan 8.290 nan 0.000 0.534 150 G N -0.813 107.828 108.800 -0.264 0.000 2.153 150 G HA2 -0.068 3.892 3.960 0.000 0.000 0.252 150 G HA3 -0.068 3.892 3.960 0.000 0.000 0.252 150 G C 0.891 175.592 174.900 -0.333 0.000 0.994 150 G CA 0.375 45.340 45.100 -0.225 0.000 0.698 150 G HN 1.013 nan 8.290 nan 0.000 0.521 151 G N -0.975 107.506 108.800 -0.531 0.000 2.489 151 G HA2 0.521 4.482 3.960 0.000 0.000 0.271 151 G HA3 0.521 4.482 3.960 0.000 0.000 0.271 151 G C 1.347 176.071 174.900 -0.293 0.000 1.427 151 G CA 0.173 45.005 45.100 -0.447 0.000 1.057 151 G HN 0.886 nan 8.290 nan 0.000 0.532 152 L N -0.489 120.526 121.223 -0.346 0.000 1.978 152 L HA -0.158 4.183 4.340 0.000 0.000 0.218 152 L C 2.826 179.664 176.870 -0.054 0.000 1.075 152 L CA 1.854 56.558 54.840 -0.227 0.000 0.767 152 L CB -0.585 41.247 42.059 -0.379 0.000 0.890 152 L HN 0.499 nan 8.230 nan 0.000 0.434 153 L N -1.175 119.958 121.223 -0.150 0.000 2.027 153 L HA -0.165 4.175 4.340 0.000 0.000 0.206 153 L C 2.678 179.530 176.870 -0.030 0.000 1.074 153 L CA 1.175 55.956 54.840 -0.098 0.000 0.745 153 L CB -1.065 40.893 42.059 -0.167 0.000 0.898 153 L HN 0.395 nan 8.230 nan 0.000 0.433 154 A N 0.457 123.231 122.820 -0.076 0.000 1.902 154 A HA -0.229 4.091 4.320 0.000 0.000 0.217 154 A C 2.514 180.092 177.584 -0.010 0.000 1.181 154 A CA 2.032 54.051 52.037 -0.030 0.000 0.623 154 A CB -0.775 18.194 19.000 -0.053 0.000 0.818 154 A HN 0.521 nan 8.150 nan 0.000 0.443 155 S N -1.130 114.551 115.700 -0.031 0.000 2.469 155 S HA -0.168 4.302 4.470 0.000 0.000 0.238 155 S C 1.293 175.814 174.600 -0.131 0.000 0.998 155 S CA 1.506 59.663 58.200 -0.071 0.000 0.957 155 S CB -0.619 62.521 63.200 -0.100 0.000 0.764 155 S HN 0.694 nan 8.310 nan 0.000 0.514 156 H N 0.535 119.581 119.070 -0.040 0.000 2.549 156 H HA 0.446 5.003 4.556 0.001 0.000 0.279 156 H C 1.441 176.781 175.328 0.020 0.000 1.018 156 H CA 0.029 56.073 56.048 -0.007 0.000 1.175 156 H CB 0.347 30.092 29.762 -0.029 0.000 1.485 156 H HN 0.507 nan 8.280 nan 0.000 0.543 157 G N 0.629 109.481 108.800 0.086 0.000 2.198 157 G HA2 -0.238 3.722 3.960 0.000 0.000 0.257 157 G HA3 -0.238 3.722 3.960 0.000 0.000 0.257 157 G C 0.362 175.300 174.900 0.062 0.000 1.042 157 G CA 0.112 45.255 45.100 0.072 0.000 0.791 157 G HN 0.665 nan 8.290 nan 0.000 0.502 158 A N -0.355 122.495 122.820 0.050 0.000 2.477 158 A HA 0.634 4.955 4.320 0.000 0.000 0.246 158 A C 0.619 178.237 177.584 0.056 0.000 1.078 158 A CA 0.205 52.261 52.037 0.032 0.000 0.770 158 A CB 0.359 19.357 19.000 -0.003 0.000 1.011 158 A HN 0.959 nan 8.150 nan 0.000 0.494 159 L N 2.500 123.757 121.223 0.057 0.000 2.272 159 L HA 0.477 4.817 4.340 0.000 0.000 0.289 159 L C -0.486 176.543 176.870 0.265 0.000 1.032 159 L CA -0.271 54.612 54.840 0.072 0.000 0.810 159 L CB 1.338 43.303 42.059 -0.156 0.000 1.205 159 L HN 0.748 nan 8.230 nan 0.000 0.422 160 D N 2.173 122.851 120.400 0.464 0.000 2.474 160 D HA 0.054 4.694 4.640 0.000 0.000 0.234 160 D C 0.181 176.887 176.300 0.678 0.000 1.323 160 D CA -0.431 53.859 54.000 0.483 0.000 0.915 160 D CB 0.542 41.482 40.800 0.233 0.000 1.487 160 D HN 0.277 nan 8.370 nan 0.000 0.524 161 F N 2.848 123.135 119.950 0.563 0.000 2.069 161 F HA -0.007 4.520 4.527 0.001 0.000 0.298 161 F C 1.823 177.834 175.800 0.353 0.000 1.113 161 F CA 2.244 60.444 58.000 0.332 0.000 1.214 161 F CB 0.401 39.402 39.000 0.001 0.000 0.978 161 F HN 0.424 nan 8.300 nan 0.000 0.474 162 A N -1.592 121.580 122.820 0.588 0.000 2.545 162 A HA 0.555 4.875 4.320 0.000 0.000 0.263 162 A C 0.953 178.985 177.584 0.748 0.000 1.202 162 A CA 0.432 52.764 52.037 0.492 0.000 0.959 162 A CB -0.277 19.061 19.000 0.562 0.000 1.124 162 A HN 0.895 nan 8.150 nan 0.000 0.543 163 G N -1.142 108.136 108.800 0.798 0.000 2.245 163 G HA2 0.029 3.989 3.960 0.000 0.000 0.130 163 G HA3 0.029 3.989 3.960 0.000 0.000 0.130 163 G C 0.998 176.132 174.900 0.391 0.000 1.040 163 G CA 0.246 45.680 45.100 0.556 0.000 0.713 163 G HN 1.095 nan 8.290 nan 0.000 0.488 164 G N 0.191 109.257 108.800 0.443 0.000 2.442 164 G HA2 0.033 3.994 3.960 0.000 0.000 0.219 164 G HA3 0.033 3.994 3.960 0.000 0.000 0.219 164 G C 1.834 176.917 174.900 0.305 0.000 1.141 164 G CA 2.625 48.001 45.100 0.461 0.000 0.763 164 G HN 1.405 nan 8.290 nan 0.000 0.554 165 T N -1.146 113.495 114.554 0.146 0.000 2.818 165 T HA 0.004 4.355 4.350 0.000 0.000 0.246 165 T C 2.324 177.010 174.700 -0.025 0.000 1.036 165 T CA 1.181 63.309 62.100 0.047 0.000 1.160 165 T CB -0.658 68.171 68.868 -0.065 0.000 0.869 165 T HN -0.014 nan 8.240 nan 0.000 0.419 166 V N 1.790 121.569 119.914 -0.224 0.000 2.324 166 V HA -0.148 3.973 4.120 0.000 0.000 0.250 166 V C 2.745 178.850 176.094 0.019 0.000 1.060 166 V CA 1.778 63.868 62.300 -0.350 0.000 1.042 166 V CB -0.899 30.392 31.823 -0.886 0.000 0.650 166 V HN 0.427 nan 8.190 nan 0.000 0.450 167 V N -1.396 118.608 119.914 0.150 0.000 2.502 167 V HA -0.013 4.108 4.120 0.000 0.000 0.234 167 V C 2.330 178.544 176.094 0.200 0.000 1.072 167 V CA 1.138 63.570 62.300 0.219 0.000 1.094 167 V CB -0.772 31.127 31.823 0.126 0.000 0.761 167 V HN 0.468 nan 8.190 nan 0.000 0.489 168 H N 0.345 119.653 119.070 0.397 0.000 2.270 168 H HA -0.034 4.522 4.556 0.000 0.000 0.299 168 H C 2.320 177.857 175.328 0.349 0.000 1.077 168 H CA 2.135 58.428 56.048 0.408 0.000 1.294 168 H CB -0.402 29.627 29.762 0.445 0.000 1.371 168 H HN 0.307 nan 8.280 nan 0.000 0.491 169 I N 0.872 121.681 120.570 0.399 0.000 2.315 169 I HA -0.229 3.941 4.170 0.000 0.000 0.248 169 I C 2.492 178.787 176.117 0.297 0.000 1.117 169 I CA 0.878 62.362 61.300 0.308 0.000 1.404 169 I CB -0.267 37.871 38.000 0.232 0.000 1.071 169 I HN 0.151 nan 8.210 nan 0.000 0.419 170 N N 1.501 120.386 118.700 0.308 0.000 2.043 170 N HA -0.189 4.551 4.740 0.000 0.000 0.193 170 N C 1.841 177.675 175.510 0.540 0.000 1.037 170 N CA 2.151 55.452 53.050 0.419 0.000 0.851 170 N CB -0.198 38.510 38.487 0.369 0.000 1.027 170 N HN 0.350 nan 8.380 nan 0.000 0.422 171 A N 0.258 123.333 122.820 0.426 0.000 1.898 171 A HA 0.130 4.450 4.320 0.000 0.000 0.216 171 A C 2.365 179.998 177.584 0.081 0.000 1.181 171 A CA 1.912 54.065 52.037 0.192 0.000 0.620 171 A CB -1.102 18.023 19.000 0.209 0.000 0.819 171 A HN 0.418 nan 8.150 nan 0.000 0.442 172 A N 0.171 123.135 122.820 0.240 0.000 1.908 172 A HA -0.111 4.210 4.320 0.000 0.000 0.218 172 A C 1.994 179.585 177.584 0.012 0.000 1.181 172 A CA 1.755 53.937 52.037 0.241 0.000 0.627 172 A CB -0.501 18.723 19.000 0.373 0.000 0.818 172 A HN 0.422 nan 8.150 nan 0.000 0.445 173 I N -0.200 120.430 120.570 0.100 0.000 2.252 173 I HA -0.183 3.988 4.170 0.000 0.000 0.245 173 I C 2.927 179.059 176.117 0.024 0.000 1.102 173 I CA 1.341 62.696 61.300 0.092 0.000 1.385 173 I CB -1.708 36.404 38.000 0.187 0.000 1.064 173 I HN 0.356 nan 8.210 nan 0.000 0.414 174 A N 1.177 123.999 122.820 0.004 0.000 1.902 174 A HA -0.100 4.220 4.320 0.000 0.000 0.217 174 A C 2.509 179.924 177.584 -0.281 0.000 1.181 174 A CA 1.907 53.894 52.037 -0.084 0.000 0.623 174 A CB -1.306 17.397 19.000 -0.495 0.000 0.818 174 A HN 0.427 nan 8.150 nan 0.000 0.443 175 G N -0.341 108.007 108.800 -0.754 0.000 2.402 175 G HA2 -0.124 3.837 3.960 0.000 0.000 0.216 175 G HA3 -0.124 3.837 3.960 0.000 0.000 0.216 175 G C 1.549 175.950 174.900 -0.832 0.000 1.162 175 G CA 0.984 45.178 45.100 -1.511 0.000 0.777 175 G HN 0.424 nan 8.290 nan 0.000 0.539 176 L N 0.207 121.131 121.223 -0.498 0.000 2.093 176 L HA -0.054 4.286 4.340 0.000 0.000 0.208 176 L C 2.960 179.807 176.870 -0.039 0.000 1.085 176 L CA 0.303 55.074 54.840 -0.116 0.000 0.755 176 L CB -0.264 41.795 42.059 -0.001 0.000 0.904 176 L HN 0.088 nan 8.230 nan 0.000 0.435 177 V N -0.135 119.767 119.914 -0.019 0.000 2.358 177 V HA -0.184 3.936 4.120 0.000 0.000 0.246 177 V C 2.575 178.606 176.094 -0.104 0.000 1.047 177 V CA 1.946 64.300 62.300 0.089 0.000 1.035 177 V CB -1.113 30.875 31.823 0.276 0.000 0.658 177 V HN 0.561 nan 8.190 nan 0.000 0.452 178 G N -0.323 108.243 108.800 -0.390 0.000 2.421 178 G HA2 -0.219 3.741 3.960 0.000 0.000 0.216 178 G HA3 -0.219 3.741 3.960 0.000 0.000 0.216 178 G C 1.784 176.423 174.900 -0.435 0.000 1.171 178 G CA 1.037 45.589 45.100 -0.912 0.000 0.775 178 G HN 0.597 nan 8.290 nan 0.000 0.543 179 A N -0.157 122.544 122.820 -0.198 0.000 1.940 179 A HA -0.073 4.247 4.320 0.000 0.000 0.219 179 A C 2.240 179.810 177.584 -0.023 0.000 1.176 179 A CA 1.753 53.755 52.037 -0.059 0.000 0.631 179 A CB -0.656 18.382 19.000 0.063 0.000 0.814 179 A HN 0.483 nan 8.150 nan 0.000 0.446 180 Y N 0.108 120.346 120.300 -0.103 0.000 2.293 180 Y HA 0.120 4.669 4.550 -0.001 0.000 0.291 180 Y C 0.931 176.787 175.900 -0.073 0.000 1.137 180 Y CA 0.533 58.598 58.100 -0.058 0.000 1.202 180 Y CB -0.144 38.306 38.460 -0.018 0.000 0.990 180 Y HN 0.197 nan 8.280 nan 0.000 0.537 196 H N 0.200 119.240 119.070 -0.049 0.000 2.529 196 H HA 0.168 4.724 4.556 0.001 0.000 0.277 196 H C -0.330 174.975 175.328 -0.038 0.000 0.999 196 H CA 0.700 56.726 56.048 -0.038 0.000 1.256 196 H CB 0.619 30.363 29.762 -0.029 0.000 1.402 196 H HN 0.207 nan 8.280 nan 0.000 0.566 197 N N 0.753 119.073 118.700 -0.633 0.000 2.710 197 N HA 0.112 4.853 4.740 0.000 0.000 0.244 197 N C 0.558 175.896 175.510 -0.288 0.000 1.321 197 N CA -0.218 52.541 53.050 -0.484 0.000 0.758 197 N CB 0.530 38.612 38.487 -0.676 0.000 1.284 197 N HN 0.163 nan 8.380 nan 0.000 0.530 198 L N 1.480 122.592 121.223 -0.186 0.000 2.083 198 L HA 0.005 4.346 4.340 0.000 0.000 0.209 198 L C -0.716 176.109 176.870 -0.075 0.000 1.083 198 L CA 1.171 55.929 54.840 -0.136 0.000 0.752 198 L CB -0.916 41.079 42.059 -0.107 0.000 0.899 198 L HN 0.322 nan 8.230 nan 0.000 0.433 199 P HA -0.237 nan 4.420 nan 0.000 0.216 199 P C 1.801 179.129 177.300 0.047 0.000 1.150 199 P CA 1.594 64.698 63.100 0.007 0.000 0.843 199 P CB 0.004 31.688 31.700 -0.026 0.000 0.787 200 M N -0.956 118.615 119.600 -0.048 0.000 2.175 200 M HA -0.120 4.361 4.480 0.000 0.000 0.264 200 M C 1.647 177.900 176.300 -0.079 0.000 1.063 200 M CA 1.687 56.952 55.300 -0.058 0.000 1.119 200 M CB -0.387 32.148 32.600 -0.107 0.000 1.377 200 M HN -0.238 nan 8.290 nan 0.000 0.415 201 V N 0.522 120.351 119.914 -0.143 0.000 2.343 201 V HA -0.284 3.836 4.120 0.000 0.000 0.247 201 V C 2.163 178.206 176.094 -0.085 0.000 1.051 201 V CA 2.087 64.236 62.300 -0.252 0.000 1.036 201 V CB -1.033 30.563 31.823 -0.379 0.000 0.654 201 V HN 0.604 nan 8.190 nan 0.000 0.451 202 F N 1.528 121.400 119.950 -0.129 0.000 2.134 202 F HA -0.209 4.318 4.527 0.000 0.000 0.299 202 F C 2.382 178.159 175.800 -0.037 0.000 1.097 202 F CA 2.294 60.248 58.000 -0.076 0.000 1.264 202 F CB -0.654 38.298 39.000 -0.080 0.000 1.001 202 F HN 0.122 nan 8.300 nan 0.000 0.479 203 T N -0.007 114.484 114.554 -0.104 0.000 2.746 203 T HA -0.096 4.254 4.350 0.000 0.000 0.267 203 T C 2.170 176.751 174.700 -0.199 0.000 1.039 203 T CA 1.419 63.414 62.100 -0.174 0.000 1.142 203 T CB -1.214 67.651 68.868 -0.004 0.000 0.866 203 T HN 0.470 nan 8.240 nan 0.000 0.444 204 G N 1.166 109.903 108.800 -0.106 0.000 2.418 204 G HA2 -0.210 3.751 3.960 0.000 0.000 0.217 204 G HA3 -0.210 3.751 3.960 0.000 0.000 0.217 204 G C 1.716 176.578 174.900 -0.063 0.000 1.158 204 G CA 1.416 46.482 45.100 -0.057 0.000 0.771 204 G HN 0.455 nan 8.290 nan 0.000 0.545 205 T N 1.692 116.236 114.554 -0.017 0.000 2.746 205 T HA 0.006 4.356 4.350 0.000 0.000 0.267 205 T C 2.814 177.402 174.700 -0.188 0.000 1.039 205 T CA 1.510 63.567 62.100 -0.072 0.000 1.142 205 T CB -0.364 68.469 68.868 -0.058 0.000 0.866 205 T HN 0.372 nan 8.240 nan 0.000 0.444 206 A N 1.077 123.683 122.820 -0.357 0.000 1.902 206 A HA -0.011 4.310 4.320 0.000 0.000 0.217 206 A C 2.293 179.816 177.584 -0.103 0.000 1.181 206 A CA 1.205 53.074 52.037 -0.281 0.000 0.623 206 A CB -0.774 17.926 19.000 -0.500 0.000 0.818 206 A HN 0.516 nan 8.150 nan 0.000 0.443 207 I N -0.481 119.958 120.570 -0.218 0.000 2.252 207 I HA -0.242 3.928 4.170 0.000 0.000 0.245 207 I C 2.362 178.296 176.117 -0.305 0.000 1.102 207 I CA 0.964 62.033 61.300 -0.386 0.000 1.385 207 I CB -0.262 37.356 38.000 -0.637 0.000 1.064 207 I HN 0.292 nan 8.210 nan 0.000 0.414 208 L N -0.580 120.529 121.223 -0.191 0.000 2.046 208 L HA -0.267 4.074 4.340 0.000 0.000 0.208 208 L C 2.673 179.615 176.870 0.120 0.000 1.077 208 L CA 1.509 56.300 54.840 -0.081 0.000 0.747 208 L CB -0.725 41.296 42.059 -0.062 0.000 0.896 208 L HN 0.271 nan 8.230 nan 0.000 0.432 209 Y N 0.575 120.852 120.300 -0.038 0.000 2.114 209 Y HA -0.263 4.287 4.550 0.000 0.000 0.284 209 Y C 2.449 178.388 175.900 0.066 0.000 1.143 209 Y CA 1.488 59.557 58.100 -0.052 0.000 1.135 209 Y CB -0.071 38.330 38.460 -0.098 0.000 0.980 209 Y HN -0.037 nan 8.280 nan 0.000 0.499 210 I N 0.450 121.054 120.570 0.057 0.000 2.226 210 I HA -0.206 3.965 4.170 0.000 0.000 0.245 210 I C 2.683 178.931 176.117 0.219 0.000 1.100 210 I CA 1.630 63.032 61.300 0.169 0.000 1.374 210 I CB -2.076 36.069 38.000 0.242 0.000 1.057 210 I HN 0.424 nan 8.210 nan 0.000 0.413 211 G N -0.461 108.420 108.800 0.134 0.000 2.432 211 G HA2 -0.257 3.704 3.960 0.000 0.000 0.219 211 G HA3 -0.257 3.704 3.960 0.000 0.000 0.219 211 G C 1.549 176.494 174.900 0.075 0.000 1.135 211 G CA -0.020 45.159 45.100 0.132 0.000 0.767 211 G HN 0.367 nan 8.290 nan 0.000 0.550 212 W N 0.639 121.809 121.300 -0.215 0.000 2.421 212 W HA 0.018 4.678 4.660 0.000 0.000 0.270 212 W C 1.733 178.069 176.519 -0.305 0.000 1.233 212 W CA 0.383 57.541 57.345 -0.312 0.000 1.226 212 W CB -0.354 28.805 29.460 -0.500 0.000 1.121 212 W HN 0.265 nan 8.180 nan 0.000 0.579 213 F N 0.035 120.003 119.950 0.029 0.000 2.186 213 F HA -0.057 4.471 4.527 0.001 0.000 0.299 213 F C 2.645 178.512 175.800 0.111 0.000 1.090 213 F CA 1.724 59.656 58.000 -0.113 0.000 1.307 213 F CB -1.259 37.495 39.000 -0.409 0.000 1.019 213 F HN -0.190 nan 8.300 nan 0.000 0.489 214 G N -0.866 108.102 108.800 0.281 0.000 2.402 214 G HA2 -0.273 3.687 3.960 0.000 0.000 0.216 214 G HA3 -0.273 3.687 3.960 0.000 0.000 0.216 214 G C 1.638 176.749 174.900 0.352 0.000 1.162 214 G CA 0.469 45.706 45.100 0.229 0.000 0.777 214 G HN 0.324 nan 8.290 nan 0.000 0.539 215 F N 1.969 121.974 119.950 0.091 0.000 2.075 215 F HA -0.092 4.436 4.527 0.000 0.000 0.297 215 F C 2.483 178.503 175.800 0.367 0.000 1.113 215 F CA 1.932 59.942 58.000 0.017 0.000 1.218 215 F CB -0.040 38.645 39.000 -0.525 0.000 0.984 215 F HN 0.050 nan 8.300 nan 0.000 0.472 216 N N 0.449 119.529 118.700 0.632 0.000 2.132 216 N HA -0.035 4.705 4.740 0.000 0.000 0.187 216 N C 1.937 177.768 175.510 0.535 0.000 1.038 216 N CA 1.627 55.037 53.050 0.599 0.000 0.846 216 N CB -1.086 37.703 38.487 0.504 0.000 1.012 216 N HN 0.350 nan 8.380 nan 0.000 0.429 217 A N 0.423 123.524 122.820 0.469 0.000 1.933 217 A HA 0.036 4.356 4.320 0.000 0.000 0.218 217 A C 2.245 180.128 177.584 0.498 0.000 1.175 217 A CA 1.819 54.182 52.037 0.543 0.000 0.628 217 A CB -1.155 18.271 19.000 0.709 0.000 0.814 217 A HN 0.366 nan 8.150 nan 0.000 0.444 218 G N -0.937 108.033 108.800 0.284 0.000 2.471 218 G HA2 -0.070 3.890 3.960 0.000 0.000 0.219 218 G HA3 -0.070 3.890 3.960 0.000 0.000 0.219 218 G C 1.551 176.356 174.900 -0.158 0.000 1.125 218 G CA 1.069 46.118 45.100 -0.085 0.000 0.775 218 G HN 0.468 nan 8.290 nan 0.000 0.548 219 S N 0.636 116.425 115.700 0.147 0.000 2.500 219 S HA 0.078 4.549 4.470 0.000 0.000 0.239 219 S C 2.511 176.867 174.600 -0.408 0.000 0.989 219 S CA 0.738 58.826 58.200 -0.187 0.000 0.951 219 S CB -0.072 62.943 63.200 -0.308 0.000 0.759 219 S HN 0.576 nan 8.310 nan 0.000 0.523 220 A N 0.628 123.459 122.820 0.018 0.000 2.067 220 A HA 0.409 4.730 4.320 0.000 0.000 0.217 220 A C 1.912 179.483 177.584 -0.021 0.000 1.156 220 A CA 1.024 53.139 52.037 0.131 0.000 0.683 220 A CB -0.832 18.368 19.000 0.332 0.000 0.808 220 A HN 0.857 nan 8.150 nan 0.000 0.455 221 G N -2.081 106.656 108.800 -0.106 0.000 2.162 221 G HA2 -0.157 3.803 3.960 0.000 0.000 0.260 221 G HA3 -0.157 3.803 3.960 0.000 0.000 0.260 221 G C 0.412 175.293 174.900 -0.031 0.000 0.976 221 G CA 1.255 46.264 45.100 -0.152 0.000 0.655 221 G HN 1.692 nan 8.290 nan 0.000 0.533 222 T N -2.100 112.499 114.554 0.075 0.000 2.893 222 T HA 0.668 5.018 4.350 0.000 0.000 0.337 222 T C -0.257 174.404 174.700 -0.065 0.000 1.587 222 T CA 0.594 62.719 62.100 0.042 0.000 1.066 222 T CB 1.019 69.876 68.868 -0.019 0.000 1.414 222 T HN 1.712 nan 8.240 nan 0.000 0.488 223 A N 4.032 126.675 122.820 -0.295 0.000 3.091 223 A HA 0.478 4.799 4.320 0.000 0.000 0.264 223 A C 0.629 178.010 177.584 -0.338 0.000 1.673 223 A CA -0.468 51.152 52.037 -0.695 0.000 1.362 223 A CB -1.221 17.284 19.000 -0.826 0.000 1.137 223 A HN 0.785 nan 8.150 nan 0.000 0.617 224 N N -0.347 118.233 118.700 -0.200 0.000 2.938 224 N HA 0.130 4.870 4.740 0.000 0.000 0.335 224 N C 0.896 176.358 175.510 -0.079 0.000 1.358 224 N CA -0.098 52.887 53.050 -0.110 0.000 0.812 224 N CB 0.168 38.624 38.487 -0.052 0.000 1.233 224 N HN 0.219 nan 8.380 nan 0.000 0.593 225 E N -0.176 119.999 120.200 -0.043 0.000 2.274 225 E HA -0.093 4.257 4.350 0.000 0.000 0.194 225 E C 1.386 177.983 176.600 -0.005 0.000 0.996 225 E CA 0.765 57.149 56.400 -0.027 0.000 0.840 225 E CB -0.229 29.459 29.700 -0.020 0.000 0.772 225 E HN 0.560 nan 8.360 nan 0.000 0.491 226 I N 1.786 122.364 120.570 0.015 0.000 2.406 226 I HA -0.057 4.113 4.170 0.000 0.000 0.249 226 I C 2.630 178.784 176.117 0.062 0.000 1.122 226 I CA 1.043 62.356 61.300 0.021 0.000 1.431 226 I CB -1.477 36.569 38.000 0.077 0.000 1.087 226 I HN 0.123 nan 8.210 nan 0.000 0.424 227 A N 1.134 124.022 122.820 0.113 0.000 1.933 227 A HA -0.097 4.224 4.320 0.000 0.000 0.218 227 A C 2.578 180.282 177.584 0.201 0.000 1.175 227 A CA 1.909 54.070 52.037 0.206 0.000 0.628 227 A CB -0.696 18.377 19.000 0.121 0.000 0.814 227 A HN 0.393 nan 8.150 nan 0.000 0.444 228 A N -0.482 122.385 122.820 0.078 0.000 1.902 228 A HA -0.017 4.303 4.320 0.000 0.000 0.217 228 A C 2.139 179.798 177.584 0.125 0.000 1.181 228 A CA 1.710 53.789 52.037 0.070 0.000 0.623 228 A CB -0.626 18.361 19.000 -0.023 0.000 0.818 228 A HN 0.683 nan 8.150 nan 0.000 0.443 229 L N -0.140 121.121 121.223 0.064 0.000 1.994 229 L HA -0.072 4.268 4.340 0.000 0.000 0.208 229 L C 2.685 179.587 176.870 0.053 0.000 1.071 229 L CA 2.358 57.218 54.840 0.034 0.000 0.745 229 L CB -0.828 41.210 42.059 -0.035 0.000 0.892 229 L HN 0.333 nan 8.230 nan 0.000 0.431 230 A N -1.145 121.692 122.820 0.028 0.000 1.940 230 A HA -0.259 4.062 4.320 0.000 0.000 0.219 230 A C 2.253 179.962 177.584 0.209 0.000 1.176 230 A CA 1.874 53.936 52.037 0.041 0.000 0.631 230 A CB -1.164 17.871 19.000 0.058 0.000 0.814 230 A HN 0.538 nan 8.150 nan 0.000 0.446 231 F N 0.610 120.672 119.950 0.188 0.000 2.051 231 F HA -0.168 4.360 4.527 0.001 0.000 0.296 231 F C 2.388 178.345 175.800 0.262 0.000 1.122 231 F CA 2.045 60.225 58.000 0.300 0.000 1.201 231 F CB -0.482 38.662 39.000 0.240 0.000 0.978 231 F HN 0.032 nan 8.300 nan 0.000 0.472 232 V N 0.735 120.934 119.914 0.474 0.000 2.343 232 V HA -0.336 3.785 4.120 0.000 0.000 0.247 232 V C 2.155 178.367 176.094 0.197 0.000 1.051 232 V CA 2.136 64.625 62.300 0.316 0.000 1.036 232 V CB -0.859 31.073 31.823 0.182 0.000 0.654 232 V HN 0.358 nan 8.190 nan 0.000 0.451 233 N N -0.060 118.717 118.700 0.129 0.000 2.223 233 N HA -0.126 4.614 4.740 0.000 0.000 0.185 233 N C 1.885 177.415 175.510 0.032 0.000 1.016 233 N CA 1.769 54.853 53.050 0.056 0.000 0.863 233 N CB -0.496 38.000 38.487 0.016 0.000 0.983 233 N HN 0.469 nan 8.380 nan 0.000 0.429 234 T N 0.647 115.222 114.554 0.035 0.000 2.737 234 T HA -0.028 4.322 4.350 0.000 0.000 0.265 234 T C 2.164 176.856 174.700 -0.013 0.000 1.038 234 T CA 0.777 62.811 62.100 -0.110 0.000 1.144 234 T CB -0.258 68.409 68.868 -0.335 0.000 0.866 234 T HN -0.043 nan 8.240 nan 0.000 0.434 235 V N 1.353 121.394 119.914 0.211 0.000 2.255 235 V HA -0.164 3.957 4.120 0.000 0.000 0.247 235 V C 2.666 178.859 176.094 0.165 0.000 1.051 235 V CA 1.485 63.977 62.300 0.320 0.000 1.018 235 V CB -0.776 31.259 31.823 0.353 0.000 0.641 235 V HN 0.308 nan 8.190 nan 0.000 0.445 236 V N 0.227 120.204 119.914 0.105 0.000 2.270 236 V HA -0.233 3.888 4.120 0.000 0.000 0.245 236 V C 2.706 178.798 176.094 -0.003 0.000 1.043 236 V CA 2.058 64.385 62.300 0.045 0.000 1.014 236 V CB -1.190 30.651 31.823 0.031 0.000 0.645 236 V HN 0.554 nan 8.190 nan 0.000 0.447 237 A N -0.190 122.612 122.820 -0.029 0.000 1.902 237 A HA -0.215 4.105 4.320 0.000 0.000 0.217 237 A C 2.393 179.924 177.584 -0.089 0.000 1.181 237 A CA 2.473 54.468 52.037 -0.069 0.000 0.623 237 A CB -0.995 17.952 19.000 -0.089 0.000 0.818 237 A HN 0.517 nan 8.150 nan 0.000 0.443 238 T N 0.470 114.967 114.554 -0.096 0.000 2.652 238 T HA -0.068 4.282 4.350 0.000 0.000 0.267 238 T C 2.252 176.890 174.700 -0.103 0.000 1.039 238 T CA 1.777 63.798 62.100 -0.131 0.000 1.153 238 T CB -0.546 68.277 68.868 -0.075 0.000 0.863 238 T HN 0.609 nan 8.240 nan 0.000 0.428 239 A N 1.531 124.321 122.820 -0.051 0.000 1.908 239 A HA 0.106 4.426 4.320 0.000 0.000 0.218 239 A C 2.662 180.227 177.584 -0.031 0.000 1.181 239 A CA 1.965 53.977 52.037 -0.041 0.000 0.627 239 A CB -1.173 17.825 19.000 -0.003 0.000 0.818 239 A HN 0.522 nan 8.150 nan 0.000 0.445 240 A N -0.321 122.481 122.820 -0.029 0.000 1.933 240 A HA 0.174 4.494 4.320 0.000 0.000 0.218 240 A C 2.471 180.053 177.584 -0.004 0.000 1.175 240 A CA 2.055 54.078 52.037 -0.025 0.000 0.628 240 A CB -0.898 18.077 19.000 -0.041 0.000 0.814 240 A HN 1.045 nan 8.150 nan 0.000 0.444 241 A N -0.204 122.608 122.820 -0.013 0.000 1.929 241 A HA 0.003 4.323 4.320 0.000 0.000 0.216 241 A C 2.096 179.728 177.584 0.080 0.000 1.176 241 A CA 1.318 53.373 52.037 0.031 0.000 0.628 241 A CB -0.535 18.454 19.000 -0.017 0.000 0.816 241 A HN 0.476 nan 8.150 nan 0.000 0.444 242 I N -0.157 120.418 120.570 0.008 0.000 2.163 242 I HA -0.282 3.889 4.170 0.000 0.000 0.243 242 I C 2.347 178.518 176.117 0.092 0.000 1.085 242 I CA 1.288 62.594 61.300 0.011 0.000 1.347 242 I CB -0.315 37.650 38.000 -0.058 0.000 1.044 242 I HN 0.296 nan 8.210 nan 0.000 0.408 243 L N 0.102 121.365 121.223 0.067 0.000 2.093 243 L HA -0.113 4.227 4.340 0.000 0.000 0.208 243 L C 2.671 179.638 176.870 0.161 0.000 1.085 243 L CA 1.459 56.353 54.840 0.090 0.000 0.755 243 L CB -1.217 40.859 42.059 0.029 0.000 0.904 243 L HN 0.321 nan 8.230 nan 0.000 0.435 244 G N -0.604 108.284 108.800 0.147 0.000 2.421 244 G HA2 -0.282 3.678 3.960 0.000 0.000 0.216 244 G HA3 -0.282 3.678 3.960 0.000 0.000 0.216 244 G C 1.365 176.429 174.900 0.273 0.000 1.171 244 G CA 0.257 45.464 45.100 0.179 0.000 0.775 244 G HN 0.394 nan 8.290 nan 0.000 0.543 245 W N 1.222 122.577 121.300 0.092 0.000 2.354 245 W HA -0.096 4.564 4.660 0.000 0.000 0.315 245 W C 2.204 178.789 176.519 0.109 0.000 1.206 245 W CA 0.958 58.356 57.345 0.088 0.000 1.290 245 W CB -0.477 29.009 29.460 0.043 0.000 1.152 245 W HN 0.105 nan 8.180 nan 0.000 0.489 246 I N 0.435 121.280 120.570 0.458 0.000 2.208 246 I HA -0.298 3.872 4.170 0.000 0.000 0.245 246 I C 2.459 178.758 176.117 0.303 0.000 1.097 246 I CA 1.470 62.969 61.300 0.332 0.000 1.363 246 I CB -1.909 36.215 38.000 0.206 0.000 1.051 246 I HN -0.069 nan 8.210 nan 0.000 0.413 247 F N 1.882 121.933 119.950 0.168 0.000 2.134 247 F HA -0.089 4.438 4.527 0.000 0.000 0.299 247 F C 2.411 178.362 175.800 0.252 0.000 1.097 247 F CA 1.709 59.816 58.000 0.177 0.000 1.264 247 F CB -0.704 38.349 39.000 0.089 0.000 1.001 247 F HN 0.048 nan 8.300 nan 0.000 0.479 248 G N -0.452 108.434 108.800 0.142 0.000 2.422 248 G HA2 -0.279 3.681 3.960 0.000 0.000 0.218 248 G HA3 -0.279 3.681 3.960 0.000 0.000 0.218 248 G C 1.572 176.424 174.900 -0.079 0.000 1.146 248 G CA 0.802 45.884 45.100 -0.030 0.000 0.769 248 G HN 0.478 nan 8.290 nan 0.000 0.547 249 E N -0.651 119.568 120.200 0.031 0.000 2.077 249 E HA -0.165 4.186 4.350 0.000 0.000 0.193 249 E C 2.045 178.667 176.600 0.037 0.000 0.989 249 E CA 0.991 57.432 56.400 0.068 0.000 0.800 249 E CB -0.271 29.567 29.700 0.229 0.000 0.746 249 E HN 0.623 nan 8.360 nan 0.000 0.452 250 W N 0.930 122.157 121.300 -0.121 0.000 2.363 250 W HA -0.146 4.515 4.660 0.000 0.000 0.296 250 W C 2.025 178.408 176.519 -0.227 0.000 1.212 250 W CA 2.063 59.319 57.345 -0.149 0.000 1.260 250 W CB -0.307 29.068 29.460 -0.141 0.000 1.131 250 W HN 0.101 nan 8.180 nan 0.000 0.530 251 A N 0.204 122.808 122.820 -0.361 0.000 1.929 251 A HA -0.077 4.244 4.320 0.000 0.000 0.216 251 A C 2.039 179.364 177.584 -0.433 0.000 1.176 251 A CA 1.687 53.357 52.037 -0.612 0.000 0.628 251 A CB -0.807 17.908 19.000 -0.474 0.000 0.816 251 A HN 0.406 nan 8.150 nan 0.000 0.444 252 L N -2.070 118.990 121.223 -0.271 0.000 2.202 252 L HA 0.087 4.428 4.340 0.000 0.000 0.205 252 L C 2.444 179.211 176.870 -0.171 0.000 1.083 252 L CA 0.753 55.481 54.840 -0.187 0.000 0.790 252 L CB -0.108 41.877 42.059 -0.123 0.000 0.942 252 L HN 0.235 nan 8.230 nan 0.000 0.452 253 R N -0.837 119.566 120.500 -0.162 0.000 2.404 253 R HA 0.245 4.585 4.340 0.000 0.000 0.237 253 R C 1.273 177.481 176.300 -0.154 0.000 0.907 253 R CA 0.578 56.606 56.100 -0.119 0.000 1.063 253 R CB 0.896 31.167 30.300 -0.048 0.000 1.134 253 R HN 0.327 nan 8.270 nan 0.000 0.529 254 G N 2.061 110.695 108.800 -0.277 0.000 2.253 254 G HA2 -0.337 3.623 3.960 0.000 0.000 0.251 254 G HA3 -0.337 3.623 3.960 0.000 0.000 0.251 254 G C -0.012 174.789 174.900 -0.164 0.000 0.998 254 G CA 0.687 45.588 45.100 -0.331 0.000 0.621 254 G HN 0.387 nan 8.290 nan 0.000 0.524 255 K N -0.591 119.797 120.400 -0.020 0.000 2.568 255 K HA 0.637 4.958 4.320 0.000 0.000 0.273 255 K C -3.543 173.136 176.600 0.132 0.000 0.951 255 K CA -1.902 54.457 56.287 0.120 0.000 0.854 255 K CB 2.380 34.923 32.500 0.072 0.000 1.424 255 K HN 0.020 nan 8.250 nan 0.000 0.427 256 P HA 0.142 nan 4.420 nan 0.000 0.274 256 P C -0.915 176.434 177.300 0.081 0.000 1.256 256 P CA -0.418 62.762 63.100 0.134 0.000 0.795 256 P CB 0.915 32.685 31.700 0.116 0.000 1.038 257 S N -0.146 115.595 115.700 0.069 0.000 2.595 257 S HA 0.341 4.812 4.470 0.000 0.000 0.281 257 S C 0.445 175.040 174.600 -0.009 0.000 1.117 257 S CA -0.635 57.581 58.200 0.027 0.000 0.873 257 S CB 0.893 64.115 63.200 0.037 0.000 1.108 257 S HN 0.239 nan 8.310 nan 0.000 0.477 258 L N 1.366 122.567 121.223 -0.037 0.000 2.046 258 L HA 0.143 4.483 4.340 0.000 0.000 0.208 258 L C 2.066 178.893 176.870 -0.072 0.000 1.077 258 L CA 1.748 56.553 54.840 -0.058 0.000 0.747 258 L CB -1.080 40.933 42.059 -0.077 0.000 0.896 258 L HN 0.847 nan 8.230 nan 0.000 0.432 259 L N -0.154 121.021 121.223 -0.080 0.000 2.083 259 L HA -0.017 4.323 4.340 0.000 0.000 0.209 259 L C 2.300 179.041 176.870 -0.216 0.000 1.083 259 L CA 2.031 56.797 54.840 -0.123 0.000 0.752 259 L CB -1.438 40.566 42.059 -0.091 0.000 0.899 259 L HN 0.319 nan 8.230 nan 0.000 0.433 260 G N -1.100 107.604 108.800 -0.160 0.000 2.421 260 G HA2 -0.257 3.704 3.960 0.000 0.000 0.216 260 G HA3 -0.257 3.704 3.960 0.000 0.000 0.216 260 G C 1.619 176.151 174.900 -0.613 0.000 1.171 260 G CA 0.861 45.763 45.100 -0.331 0.000 0.775 260 G HN 0.625 nan 8.290 nan 0.000 0.543 261 A N 0.016 122.685 122.820 -0.252 0.000 1.883 261 A HA -0.111 4.209 4.320 0.000 0.000 0.217 261 A C 2.600 180.032 177.584 -0.253 0.000 1.186 261 A CA 1.922 53.846 52.037 -0.188 0.000 0.624 261 A CB -1.034 17.925 19.000 -0.069 0.000 0.822 261 A HN 0.441 nan 8.150 nan 0.000 0.444 262 C N -0.770 118.401 119.300 -0.216 0.000 2.446 262 C HA -0.030 4.430 4.460 0.000 0.000 0.277 262 C C 3.252 178.063 174.990 -0.298 0.000 1.275 262 C CA 1.172 60.089 59.018 -0.168 0.000 1.727 262 C CB -1.244 26.472 27.740 -0.039 0.000 2.010 262 C HN 0.619 nan 8.230 nan 0.000 0.486 263 S N 0.875 116.247 115.700 -0.547 0.000 2.368 263 S HA -0.062 4.408 4.470 0.000 0.000 0.225 263 S C 2.108 176.170 174.600 -0.896 0.000 1.030 263 S CA 1.505 59.215 58.200 -0.817 0.000 0.999 263 S CB -0.700 61.678 63.200 -1.369 0.000 0.844 263 S HN 0.760 nan 8.310 nan 0.000 0.459 264 G N 1.449 109.682 108.800 -0.945 0.000 2.418 264 G HA2 -0.073 3.887 3.960 0.000 0.000 0.217 264 G HA3 -0.073 3.887 3.960 0.000 0.000 0.217 264 G C 1.560 176.341 174.900 -0.198 0.000 1.158 264 G CA 0.927 45.874 45.100 -0.256 0.000 0.771 264 G HN 0.574 nan 8.290 nan 0.000 0.545 265 A N 1.100 123.754 122.820 -0.277 0.000 1.877 265 A HA 0.000 4.320 4.320 0.000 0.000 0.216 265 A C 2.344 179.713 177.584 -0.359 0.000 1.186 265 A CA 1.494 53.356 52.037 -0.291 0.000 0.620 265 A CB -0.319 18.495 19.000 -0.309 0.000 0.822 265 A HN 0.273 nan 8.150 nan 0.000 0.443 266 I N 0.071 120.420 120.570 -0.368 0.000 2.226 266 I HA -0.244 3.927 4.170 0.000 0.000 0.245 266 I C 2.933 178.782 176.117 -0.448 0.000 1.100 266 I CA 1.433 62.463 61.300 -0.451 0.000 1.374 266 I CB -1.691 36.070 38.000 -0.398 0.000 1.057 266 I HN 0.371 nan 8.210 nan 0.000 0.413 267 A N 1.076 123.736 122.820 -0.267 0.000 1.908 267 A HA -0.121 4.199 4.320 0.000 0.000 0.218 267 A C 2.517 179.993 177.584 -0.180 0.000 1.181 267 A CA 1.991 53.953 52.037 -0.126 0.000 0.627 267 A CB -1.307 17.786 19.000 0.155 0.000 0.818 267 A HN 0.434 nan 8.150 nan 0.000 0.445 268 G N -0.494 108.182 108.800 -0.207 0.000 2.403 268 G HA2 -0.068 3.893 3.960 0.000 0.000 0.216 268 G HA3 -0.068 3.893 3.960 0.000 0.000 0.216 268 G C 1.557 176.244 174.900 -0.356 0.000 1.154 268 G CA 0.900 45.872 45.100 -0.214 0.000 0.784 268 G HN 0.420 nan 8.290 nan 0.000 0.538 269 L N 0.199 121.049 121.223 -0.622 0.000 2.017 269 L HA -0.082 4.259 4.340 0.000 0.000 0.208 269 L C 2.990 179.375 176.870 -0.809 0.000 1.073 269 L CA 0.535 54.693 54.840 -1.138 0.000 0.745 269 L CB -0.462 40.318 42.059 -2.131 0.000 0.894 269 L HN 0.082 nan 8.230 nan 0.000 0.432 270 V N 0.018 119.557 119.914 -0.626 0.000 2.307 270 V HA -0.201 3.920 4.120 0.000 0.000 0.245 270 V C 2.608 178.635 176.094 -0.111 0.000 1.045 270 V CA 2.031 64.071 62.300 -0.433 0.000 1.024 270 V CB -1.241 30.217 31.823 -0.608 0.000 0.651 270 V HN 0.570 nan 8.190 nan 0.000 0.449 271 G N -0.924 107.809 108.800 -0.110 0.000 2.440 271 G HA2 -0.223 3.738 3.960 0.000 0.000 0.218 271 G HA3 -0.223 3.738 3.960 0.000 0.000 0.218 271 G C 1.695 176.632 174.900 0.062 0.000 1.154 271 G CA 1.181 46.283 45.100 0.004 0.000 0.767 271 G HN 0.388 nan 8.290 nan 0.000 0.552 272 V N 0.558 120.478 119.914 0.011 0.000 3.306 272 V HA -0.027 4.094 4.120 0.000 0.000 0.264 272 V C 2.883 179.103 176.094 0.210 0.000 1.149 272 V CA 2.029 64.367 62.300 0.064 0.000 1.143 272 V CB -0.473 31.334 31.823 -0.026 0.000 0.767 272 V HN 0.382 nan 8.190 nan 0.000 0.476 273 T N 1.932 116.684 114.554 0.330 0.000 2.597 273 T HA -0.129 4.221 4.350 0.000 0.000 0.267 273 T C -0.209 174.840 174.700 0.582 0.000 1.053 273 T CA 2.359 64.832 62.100 0.622 0.000 1.165 273 T CB -1.173 68.262 68.868 0.945 0.000 0.863 273 T HN 0.548 nan 8.240 nan 0.000 0.427 274 P HA 0.161 nan 4.420 nan 0.000 0.225 274 P C 0.898 178.503 177.300 0.508 0.000 1.156 274 P CA 0.971 64.372 63.100 0.501 0.000 0.787 274 P CB -0.023 31.917 31.700 0.400 0.000 0.802 275 A N -0.100 122.947 122.820 0.379 0.000 2.063 275 A HA -0.005 4.316 4.320 0.000 0.000 0.211 275 A C 2.393 180.055 177.584 0.130 0.000 1.177 275 A CA 0.762 52.989 52.037 0.318 0.000 0.759 275 A CB -1.671 17.470 19.000 0.236 0.000 0.857 275 A HN 0.372 nan 8.150 nan 0.000 0.468 276 C N -0.960 118.380 119.300 0.066 0.000 2.385 276 C HA -0.105 4.356 4.460 0.000 0.000 0.275 276 C C 2.432 177.159 174.990 -0.437 0.000 1.199 276 C CA 0.960 59.921 59.018 -0.095 0.000 1.782 276 C CB -1.756 26.009 27.740 0.041 0.000 2.068 276 C HN 0.538 nan 8.230 nan 0.000 0.471 277 G N -2.297 105.797 108.800 -1.176 0.000 3.088 277 G HA2 0.306 4.266 3.960 0.000 0.000 0.212 277 G HA3 0.306 4.266 3.960 0.000 0.000 0.212 277 G C 0.820 175.161 174.900 -0.932 0.000 1.173 277 G CA 0.393 44.478 45.100 -1.692 0.000 0.779 277 G HN 0.684 nan 8.290 nan 0.000 0.540 278 Y N -0.117 120.045 120.300 -0.230 0.000 2.423 278 Y HA 0.367 4.918 4.550 0.000 0.000 0.257 278 Y C 1.206 177.087 175.900 -0.032 0.000 1.087 278 Y CA -1.544 56.523 58.100 -0.055 0.000 1.258 278 Y CB 0.253 38.745 38.460 0.054 0.000 1.237 278 Y HN 0.221 nan 8.280 nan 0.000 0.517 279 I N -1.887 118.745 120.570 0.104 0.000 2.947 279 I HA 0.898 5.068 4.170 0.000 0.000 0.314 279 I C 0.627 176.770 176.117 0.043 0.000 1.028 279 I CA -1.193 60.165 61.300 0.097 0.000 1.077 279 I CB 1.349 39.421 38.000 0.120 0.000 1.274 279 I HN -0.007 nan 8.210 nan 0.000 0.485 280 G N 0.731 109.564 108.800 0.056 0.000 2.502 280 G HA2 0.412 4.372 3.960 0.000 0.000 0.305 280 G HA3 0.412 4.372 3.960 0.000 0.000 0.305 280 G C 0.850 175.758 174.900 0.013 0.000 1.190 280 G CA -0.172 44.948 45.100 0.034 0.000 0.933 280 G HN 0.913 nan 8.290 nan 0.000 0.503 281 V N -1.078 118.841 119.914 0.010 0.000 2.594 281 V HA 0.013 4.133 4.120 0.000 0.000 0.253 281 V C 2.420 178.500 176.094 -0.024 0.000 1.069 281 V CA 2.183 64.483 62.300 -0.001 0.000 1.082 281 V CB -1.104 30.727 31.823 0.014 0.000 0.680 281 V HN 0.733 nan 8.190 nan 0.000 0.469 282 G N 0.804 109.594 108.800 -0.015 0.000 2.402 282 G HA2 -0.033 3.927 3.960 0.000 0.000 0.216 282 G HA3 -0.033 3.927 3.960 0.000 0.000 0.216 282 G C 1.544 176.373 174.900 -0.119 0.000 1.162 282 G CA 0.769 45.850 45.100 -0.031 0.000 0.777 282 G HN 0.720 nan 8.290 nan 0.000 0.539 283 G N 1.070 109.794 108.800 -0.126 0.000 2.422 283 G HA2 0.059 4.019 3.960 0.000 0.000 0.218 283 G HA3 0.059 4.019 3.960 0.000 0.000 0.218 283 G C 2.030 176.703 174.900 -0.379 0.000 1.146 283 G CA 1.498 46.353 45.100 -0.408 0.000 0.769 283 G HN 0.623 nan 8.290 nan 0.000 0.547 284 A N 0.368 123.087 122.820 -0.168 0.000 1.933 284 A HA 0.109 4.430 4.320 0.000 0.000 0.218 284 A C 2.370 179.876 177.584 -0.131 0.000 1.175 284 A CA 1.426 53.392 52.037 -0.118 0.000 0.628 284 A CB -0.402 18.568 19.000 -0.050 0.000 0.814 284 A HN 0.394 nan 8.150 nan 0.000 0.444 285 L N -0.432 120.716 121.223 -0.124 0.000 2.027 285 L HA -0.129 4.211 4.340 0.000 0.000 0.206 285 L C 2.382 179.169 176.870 -0.139 0.000 1.074 285 L CA 1.511 56.289 54.840 -0.104 0.000 0.745 285 L CB -0.228 41.786 42.059 -0.075 0.000 0.898 285 L HN 0.432 nan 8.230 nan 0.000 0.433 286 I N -0.396 120.040 120.570 -0.222 0.000 2.179 286 I HA -0.346 3.824 4.170 0.000 0.000 0.242 286 I C 2.386 178.367 176.117 -0.227 0.000 1.088 286 I CA 1.535 62.687 61.300 -0.247 0.000 1.357 286 I CB -0.271 37.493 38.000 -0.394 0.000 1.051 286 I HN 0.237 nan 8.210 nan 0.000 0.409 287 I N 0.690 121.083 120.570 -0.295 0.000 2.208 287 I HA -0.241 3.929 4.170 0.000 0.000 0.245 287 I C 2.656 178.720 176.117 -0.089 0.000 1.097 287 I CA 1.646 62.846 61.300 -0.166 0.000 1.363 287 I CB -0.877 37.039 38.000 -0.141 0.000 1.051 287 I HN 0.297 nan 8.210 nan 0.000 0.413 288 G N 0.494 109.237 108.800 -0.094 0.000 2.459 288 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 288 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 288 G C 1.701 176.582 174.900 -0.032 0.000 1.183 288 G CA 0.975 46.036 45.100 -0.064 0.000 0.776 288 G HN 0.235 nan 8.290 nan 0.000 0.552 289 V N 0.498 120.388 119.914 -0.040 0.000 2.287 289 V HA -0.193 3.928 4.120 0.000 0.000 0.248 289 V C 3.073 179.169 176.094 0.003 0.000 1.053 289 V CA 1.666 63.957 62.300 -0.015 0.000 1.027 289 V CB -0.532 31.267 31.823 -0.039 0.000 0.646 289 V HN 0.248 nan 8.190 nan 0.000 0.447 290 V N 0.230 120.135 119.914 -0.015 0.000 2.343 290 V HA -0.255 3.865 4.120 0.000 0.000 0.247 290 V C 2.696 178.800 176.094 0.017 0.000 1.051 290 V CA 2.019 64.318 62.300 -0.002 0.000 1.036 290 V CB -1.178 30.643 31.823 -0.003 0.000 0.654 290 V HN 0.563 nan 8.190 nan 0.000 0.451 291 A N 0.573 123.405 122.820 0.020 0.000 1.902 291 A HA -0.097 4.223 4.320 0.000 0.000 0.217 291 A C 2.435 180.075 177.584 0.093 0.000 1.181 291 A CA 1.984 54.047 52.037 0.043 0.000 0.623 291 A CB -1.273 17.733 19.000 0.010 0.000 0.818 291 A HN 0.526 nan 8.150 nan 0.000 0.443 292 G N -0.229 108.637 108.800 0.110 0.000 2.418 292 G HA2 -0.168 3.792 3.960 0.000 0.000 0.217 292 G HA3 -0.168 3.792 3.960 0.000 0.000 0.217 292 G C 1.556 176.527 174.900 0.118 0.000 1.158 292 G CA 1.095 46.335 45.100 0.233 0.000 0.771 292 G HN 0.436 nan 8.290 nan 0.000 0.545 293 L N 0.486 121.734 121.223 0.043 0.000 2.109 293 L HA 0.051 4.392 4.340 0.000 0.000 0.207 293 L C 3.367 180.221 176.870 -0.026 0.000 1.086 293 L CA 0.851 55.675 54.840 -0.026 0.000 0.760 293 L CB -0.327 41.743 42.059 0.018 0.000 0.910 293 L HN 0.299 nan 8.230 nan 0.000 0.437 294 A N 0.322 123.160 122.820 0.030 0.000 1.930 294 A HA -0.078 4.242 4.320 0.000 0.000 0.217 294 A C 2.396 180.085 177.584 0.175 0.000 1.175 294 A CA 1.559 53.660 52.037 0.106 0.000 0.627 294 A CB -1.148 17.898 19.000 0.076 0.000 0.815 294 A HN 0.420 nan 8.150 nan 0.000 0.443 295 G N -0.025 108.831 108.800 0.094 0.000 2.421 295 G HA2 -0.166 3.794 3.960 0.000 0.000 0.216 295 G HA3 -0.166 3.794 3.960 0.000 0.000 0.216 295 G C 1.495 176.232 174.900 -0.271 0.000 1.171 295 G CA 1.232 46.415 45.100 0.138 0.000 0.775 295 G HN 0.508 nan 8.290 nan 0.000 0.543 296 L N -0.469 120.200 121.223 -0.923 0.000 2.046 296 L HA 0.050 4.390 4.340 0.000 0.000 0.208 296 L C 2.438 179.072 176.870 -0.394 0.000 1.077 296 L CA 1.807 55.919 54.840 -1.212 0.000 0.747 296 L CB -0.643 40.601 42.059 -1.357 0.000 0.896 296 L HN 0.479 nan 8.230 nan 0.000 0.432 297 W N 0.271 121.380 121.300 -0.317 0.000 2.358 297 W HA -0.021 4.639 4.660 0.000 0.000 0.303 297 W C 2.201 178.664 176.519 -0.093 0.000 1.208 297 W CA 2.097 59.346 57.345 -0.160 0.000 1.274 297 W CB -0.770 28.629 29.460 -0.102 0.000 1.138 297 W HN 0.192 nan 8.180 nan 0.000 0.515 298 G N 0.973 109.754 108.800 -0.033 0.000 2.480 298 G HA2 -0.358 3.602 3.960 0.000 0.000 0.216 298 G HA3 -0.358 3.602 3.960 0.000 0.000 0.216 298 G C 1.502 176.259 174.900 -0.240 0.000 1.200 298 G CA 2.598 47.575 45.100 -0.205 0.000 0.782 298 G HN 0.584 nan 8.290 nan 0.000 0.554 299 V N -1.189 118.674 119.914 -0.086 0.000 2.594 299 V HA -0.106 4.015 4.120 0.000 0.000 0.253 299 V C 2.550 178.579 176.094 -0.107 0.000 1.069 299 V CA 2.646 64.933 62.300 -0.021 0.000 1.082 299 V CB -1.240 30.671 31.823 0.147 0.000 0.680 299 V HN 0.272 nan 8.190 nan 0.000 0.469 300 T N 0.804 115.235 114.554 -0.204 0.000 2.867 300 T HA 0.130 4.480 4.350 0.000 0.000 0.268 300 T C 0.987 175.524 174.700 -0.272 0.000 1.057 300 T CA 1.199 63.174 62.100 -0.210 0.000 1.136 300 T CB -0.260 68.480 68.868 -0.213 0.000 0.874 300 T HN 0.346 nan 8.240 nan 0.000 0.466 312 C N 0.995 120.299 119.300 0.007 0.000 2.466 312 C HA -0.021 4.440 4.460 0.000 0.000 0.283 312 C C 1.932 176.942 174.990 0.034 0.000 1.472 312 C CA 1.329 60.356 59.018 0.015 0.000 1.765 312 C CB -1.423 26.446 27.740 0.215 0.000 1.724 312 C HN 0.385 nan 8.230 nan 0.000 0.560 313 D N 0.234 120.663 120.400 0.049 0.000 2.310 313 D HA -0.095 4.546 4.640 0.000 0.000 0.212 313 D C 1.953 178.313 176.300 0.099 0.000 0.965 313 D CA 0.661 54.716 54.000 0.092 0.000 0.879 313 D CB 0.061 40.919 40.800 0.097 0.000 0.921 313 D HN 0.247 nan 8.370 nan 0.000 0.510 314 V N 0.322 120.238 119.914 0.003 0.000 2.490 314 V HA -0.241 3.880 4.120 0.000 0.000 0.250 314 V C 1.610 177.770 176.094 0.109 0.000 1.061 314 V CA 1.241 63.559 62.300 0.030 0.000 1.064 314 V CB -0.525 31.267 31.823 -0.052 0.000 0.670 314 V HN 0.211 nan 8.190 nan 0.000 0.461 315 F N 1.269 121.364 119.950 0.242 0.000 2.365 315 F HA 0.082 4.610 4.527 0.001 0.000 0.300 315 F C 2.292 178.218 175.800 0.210 0.000 1.090 315 F CA 0.855 58.982 58.000 0.211 0.000 1.408 315 F CB -1.405 37.681 39.000 0.143 0.000 1.060 315 F HN 0.185 nan 8.300 nan 0.000 0.534 316 G N -0.151 108.836 108.800 0.312 0.000 2.394 316 G HA2 -0.117 3.843 3.960 0.000 0.000 0.215 316 G HA3 -0.117 3.843 3.960 0.000 0.000 0.215 316 G C 1.832 176.873 174.900 0.234 0.000 1.165 316 G CA 0.977 46.215 45.100 0.231 0.000 0.784 316 G HN 0.237 nan 8.290 nan 0.000 0.535 317 V N 0.428 120.482 119.914 0.234 0.000 2.283 317 V HA -0.144 3.976 4.120 0.000 0.000 0.243 317 V C 2.482 178.645 176.094 0.114 0.000 1.039 317 V CA 1.662 64.069 62.300 0.178 0.000 1.016 317 V CB -0.696 31.203 31.823 0.128 0.000 0.650 317 V HN 0.438 nan 8.190 nan 0.000 0.449 318 H N -0.012 119.154 119.070 0.160 0.000 2.421 318 H HA -0.082 4.474 4.556 0.001 0.000 0.298 318 H C 2.297 177.766 175.328 0.236 0.000 1.087 318 H CA 1.543 57.701 56.048 0.182 0.000 1.330 318 H CB -0.245 29.684 29.762 0.278 0.000 1.388 318 H HN 0.508 nan 8.280 nan 0.000 0.526 319 G N 0.480 109.498 108.800 0.363 0.000 2.454 319 G HA2 -0.162 3.798 3.960 0.000 0.000 0.214 319 G HA3 -0.162 3.798 3.960 0.000 0.000 0.214 319 G C 1.926 176.970 174.900 0.240 0.000 1.217 319 G CA 0.912 46.189 45.100 0.296 0.000 0.799 319 G HN 0.207 nan 8.290 nan 0.000 0.538 320 V N 0.774 120.826 119.914 0.230 0.000 2.255 320 V HA -0.235 3.885 4.120 0.000 0.000 0.247 320 V C 3.090 179.289 176.094 0.175 0.000 1.051 320 V CA 1.943 64.376 62.300 0.222 0.000 1.018 320 V CB -0.818 31.169 31.823 0.273 0.000 0.641 320 V HN 0.511 nan 8.190 nan 0.000 0.445 321 C N 0.783 120.169 119.300 0.144 0.000 2.435 321 C HA 0.005 4.465 4.460 0.000 0.000 0.279 321 C C 2.875 177.926 174.990 0.102 0.000 1.321 321 C CA 0.508 59.579 59.018 0.088 0.000 1.752 321 C CB -1.740 26.007 27.740 0.012 0.000 1.959 321 C HN 0.700 nan 8.230 nan 0.000 0.500 322 G N 0.640 109.532 108.800 0.153 0.000 2.402 322 G HA2 -0.120 3.840 3.960 0.000 0.000 0.216 322 G HA3 -0.120 3.840 3.960 0.000 0.000 0.216 322 G C 1.479 176.503 174.900 0.205 0.000 1.162 322 G CA 0.612 45.849 45.100 0.229 0.000 0.777 322 G HN 0.517 nan 8.290 nan 0.000 0.539 323 I N 0.280 120.959 120.570 0.181 0.000 2.179 323 I HA -0.150 4.020 4.170 0.000 0.000 0.242 323 I C 2.795 178.991 176.117 0.132 0.000 1.088 323 I CA 0.472 61.863 61.300 0.151 0.000 1.357 323 I CB -0.263 37.822 38.000 0.141 0.000 1.051 323 I HN 0.016 nan 8.210 nan 0.000 0.409 324 V N 1.049 121.036 119.914 0.122 0.000 2.287 324 V HA -0.266 3.855 4.120 0.000 0.000 0.248 324 V C 2.572 178.739 176.094 0.122 0.000 1.053 324 V CA 2.344 64.705 62.300 0.102 0.000 1.027 324 V CB -1.429 30.443 31.823 0.082 0.000 0.646 324 V HN 0.596 nan 8.190 nan 0.000 0.447 325 G N -1.432 107.449 108.800 0.134 0.000 2.421 325 G HA2 -0.279 3.681 3.960 0.000 0.000 0.216 325 G HA3 -0.279 3.681 3.960 0.000 0.000 0.216 325 G C 1.762 176.779 174.900 0.194 0.000 1.171 325 G CA 1.312 46.508 45.100 0.159 0.000 0.775 325 G HN 0.533 nan 8.290 nan 0.000 0.543 326 C N 0.236 119.652 119.300 0.194 0.000 2.425 326 C HA 0.045 4.505 4.460 0.000 0.000 0.277 326 C C 2.858 177.943 174.990 0.159 0.000 1.280 326 C CA 0.502 59.632 59.018 0.187 0.000 1.744 326 C CB -0.936 26.902 27.740 0.164 0.000 1.989 326 C HN 0.472 nan 8.230 nan 0.000 0.491 327 I N 0.168 120.821 120.570 0.139 0.000 2.233 327 I HA -0.221 3.950 4.170 0.000 0.000 0.243 327 I C 2.502 178.712 176.117 0.155 0.000 1.093 327 I CA 1.580 62.951 61.300 0.119 0.000 1.380 327 I CB -0.357 37.699 38.000 0.093 0.000 1.067 327 I HN 0.299 nan 8.210 nan 0.000 0.413 328 M N -0.218 119.498 119.600 0.193 0.000 2.374 328 M HA -0.150 4.330 4.480 0.000 0.000 0.264 328 M C 2.170 178.676 176.300 0.344 0.000 1.067 328 M CA 1.478 56.953 55.300 0.291 0.000 1.103 328 M CB -0.553 32.220 32.600 0.288 0.000 1.402 328 M HN 0.232 nan 8.290 nan 0.000 0.444 329 T N 0.194 114.913 114.554 0.275 0.000 2.788 329 T HA -0.095 4.256 4.350 0.000 0.000 0.268 329 T C 1.770 176.632 174.700 0.269 0.000 1.044 329 T CA 1.583 63.855 62.100 0.286 0.000 1.139 329 T CB -0.591 68.451 68.868 0.288 0.000 0.867 329 T HN 0.645 nan 8.240 nan 0.000 0.454 330 G N 0.210 109.151 108.800 0.235 0.000 2.625 330 G HA2 0.031 3.991 3.960 0.000 0.000 0.214 330 G HA3 0.031 3.991 3.960 0.000 0.000 0.214 330 G C 1.288 176.375 174.900 0.310 0.000 1.132 330 G CA 0.264 45.514 45.100 0.251 0.000 0.782 330 G HN 0.482 nan 8.290 nan 0.000 0.538 331 I N -1.447 119.246 120.570 0.205 0.000 3.132 331 I HA 0.208 4.378 4.170 0.000 0.000 0.255 331 I C 1.669 177.692 176.117 -0.155 0.000 1.118 331 I CA 0.058 61.363 61.300 0.008 0.000 1.463 331 I CB -0.004 37.865 38.000 -0.218 0.000 1.356 331 I HN -0.009 nan 8.210 nan 0.000 0.463 332 F N 1.505 121.508 119.950 0.090 0.000 2.699 332 F HA 0.040 4.567 4.527 0.000 0.000 0.298 332 F C 2.375 178.143 175.800 -0.053 0.000 1.154 332 F CA 0.720 58.734 58.000 0.023 0.000 1.457 332 F CB -0.555 38.469 39.000 0.041 0.000 1.106 332 F HN 0.009 nan 8.300 nan 0.000 0.585 333 A N 0.354 123.164 122.820 -0.018 0.000 2.119 333 A HA 0.319 4.640 4.320 0.000 0.000 0.217 333 A C 1.605 178.819 177.584 -0.617 0.000 1.153 333 A CA 0.510 52.422 52.037 -0.209 0.000 0.692 333 A CB -0.933 17.946 19.000 -0.202 0.000 0.799 333 A HN 0.154 nan 8.150 nan 0.000 0.458 334 A N -0.113 122.241 122.820 -0.776 0.000 2.540 334 A HA 0.357 4.677 4.320 0.000 0.000 0.239 334 A C 1.459 178.863 177.584 -0.301 0.000 1.061 334 A CA 0.482 52.093 52.037 -0.710 0.000 0.758 334 A CB 0.055 18.881 19.000 -0.290 0.000 0.991 334 A HN 0.342 nan 8.150 nan 0.000 0.502 335 S N 1.407 116.973 115.700 -0.224 0.000 2.370 335 S HA -0.188 4.283 4.470 0.000 0.000 0.226 335 S C 2.341 176.911 174.600 -0.051 0.000 1.033 335 S CA 1.922 60.064 58.200 -0.097 0.000 1.011 335 S CB -0.392 62.776 63.200 -0.055 0.000 0.852 335 S HN 1.167 nan 8.310 nan 0.000 0.457 336 S N 1.218 116.892 115.700 -0.043 0.000 2.465 336 S HA 0.031 4.502 4.470 0.000 0.000 0.241 336 S C 1.239 175.834 174.600 -0.009 0.000 1.000 336 S CA 0.785 58.975 58.200 -0.017 0.000 0.964 336 S CB -0.439 62.757 63.200 -0.007 0.000 0.763 336 S HN 0.465 nan 8.310 nan 0.000 0.512 337 L N 0.727 121.937 121.223 -0.021 0.000 2.818 337 L HA 0.431 4.771 4.340 0.000 0.000 0.243 337 L C 1.573 178.498 176.870 0.090 0.000 1.185 337 L CA 0.179 55.041 54.840 0.037 0.000 0.988 337 L CB -0.085 41.963 42.059 -0.019 0.000 1.292 337 L HN 0.528 nan 8.230 nan 0.000 0.519 338 G N -0.100 108.723 108.800 0.038 0.000 2.157 338 G HA2 -0.230 3.730 3.960 0.000 0.000 0.248 338 G HA3 -0.230 3.730 3.960 0.000 0.000 0.248 338 G C 0.559 175.477 174.900 0.030 0.000 0.979 338 G CA -0.107 45.016 45.100 0.039 0.000 0.650 338 G HN 0.512 nan 8.290 nan 0.000 0.529 339 G N -0.917 107.887 108.800 0.007 0.000 2.588 339 G HA2 0.585 4.545 3.960 0.000 0.000 0.281 339 G HA3 0.585 4.545 3.960 0.000 0.000 0.281 339 G C 1.429 176.314 174.900 -0.026 0.000 1.236 339 G CA 0.661 45.758 45.100 -0.005 0.000 0.969 339 G HN 1.319 nan 8.290 nan 0.000 0.504 340 V N -2.133 117.784 119.914 0.006 0.000 3.141 340 V HA 0.448 4.568 4.120 0.000 0.000 0.265 340 V C 1.189 177.273 176.094 -0.016 0.000 1.126 340 V CA 0.771 63.086 62.300 0.025 0.000 1.141 340 V CB -1.450 30.434 31.823 0.102 0.000 0.743 340 V HN 2.219 nan 8.190 nan 0.000 0.492 341 G N -0.554 108.172 108.800 -0.124 0.000 2.712 341 G HA2 -0.075 3.885 3.960 0.000 0.000 0.686 341 G HA3 -0.075 3.885 3.960 0.000 0.000 0.686 341 G C -0.797 174.001 174.900 -0.170 0.000 1.181 341 G CA -0.457 44.527 45.100 -0.194 0.000 0.762 341 G HN 0.379 nan 8.290 nan 0.000 0.641 342 F N 1.234 121.191 119.950 0.012 0.000 2.399 342 F HA 0.633 5.160 4.527 0.001 0.000 0.313 342 F C 1.493 177.294 175.800 0.001 0.000 1.202 342 F CA 0.450 58.445 58.000 -0.009 0.000 1.192 342 F CB 0.341 39.338 39.000 -0.006 0.000 1.256 342 F HN 0.961 nan 8.300 nan 0.000 0.558 343 A N 0.344 123.294 122.820 0.216 0.000 2.448 343 A HA 0.107 4.428 4.320 0.000 0.000 0.239 343 A C 0.163 177.802 177.584 0.091 0.000 1.080 343 A CA -0.527 51.578 52.037 0.114 0.000 0.779 343 A CB -0.299 18.747 19.000 0.076 0.000 1.026 343 A HN 0.754 nan 8.150 nan 0.000 0.499 344 E N -0.207 120.024 120.200 0.053 0.000 2.452 344 E HA 0.304 4.655 4.350 0.000 0.000 0.261 344 E C 1.134 177.733 176.600 -0.001 0.000 0.987 344 E CA 1.070 57.489 56.400 0.031 0.000 0.926 344 E CB 0.170 29.880 29.700 0.017 0.000 0.934 344 E HN 1.311 nan 8.360 nan 0.000 0.452 345 G N 1.912 110.706 108.800 -0.010 0.000 2.155 345 G HA2 -0.273 3.688 3.960 0.000 0.000 0.257 345 G HA3 -0.273 3.688 3.960 0.000 0.000 0.257 345 G C 0.049 174.880 174.900 -0.114 0.000 0.983 345 G CA 0.163 45.230 45.100 -0.055 0.000 0.676 345 G HN 0.383 nan 8.290 nan 0.000 0.528 346 V N 1.904 121.769 119.914 -0.082 0.000 2.384 346 V HA 0.658 4.779 4.120 0.000 0.000 0.287 346 V C 0.930 176.925 176.094 -0.165 0.000 1.020 346 V CA -0.051 62.152 62.300 -0.162 0.000 0.850 346 V CB 1.430 33.194 31.823 -0.099 0.000 0.987 346 V HN 0.662 nan 8.190 nan 0.000 0.436 347 T N 1.883 116.322 114.554 -0.192 0.000 2.847 347 T HA 0.326 4.676 4.350 0.000 0.000 0.279 347 T C 1.226 175.644 174.700 -0.470 0.000 0.984 347 T CA -0.393 61.593 62.100 -0.191 0.000 0.988 347 T CB 1.094 69.907 68.868 -0.092 0.000 1.040 347 T HN 0.559 nan 8.240 nan 0.000 0.528 348 M N 0.909 120.274 119.600 -0.392 0.000 2.117 348 M HA 0.036 4.517 4.480 0.000 0.000 0.262 348 M C 2.249 178.378 176.300 -0.285 0.000 1.065 348 M CA 2.243 57.261 55.300 -0.471 0.000 1.114 348 M CB -1.070 31.523 32.600 -0.011 0.000 1.361 348 M HN 0.931 nan 8.290 nan 0.000 0.408 349 G N -1.116 107.593 108.800 -0.151 0.000 2.440 349 G HA2 -0.328 3.632 3.960 0.000 0.000 0.218 349 G HA3 -0.328 3.632 3.960 0.000 0.000 0.218 349 G C 1.178 176.023 174.900 -0.092 0.000 1.154 349 G CA 1.575 46.621 45.100 -0.089 0.000 0.767 349 G HN 0.657 nan 8.290 nan 0.000 0.552 350 H N -0.255 118.703 119.070 -0.187 0.000 2.326 350 H HA -0.050 4.507 4.556 0.001 0.000 0.301 350 H C 2.612 177.834 175.328 -0.178 0.000 1.081 350 H CA 2.018 57.971 56.048 -0.158 0.000 1.334 350 H CB -0.038 29.633 29.762 -0.153 0.000 1.385 350 H HN 0.339 nan 8.280 nan 0.000 0.504 351 Q N 0.431 120.103 119.800 -0.213 0.000 2.084 351 Q HA -0.096 4.244 4.340 0.000 0.000 0.202 351 Q C 2.337 178.242 176.000 -0.158 0.000 0.978 351 Q CA 1.654 57.320 55.803 -0.227 0.000 0.844 351 Q CB -0.407 28.067 28.738 -0.440 0.000 0.898 351 Q HN 0.608 nan 8.270 nan 0.000 0.426 352 L N -0.537 120.599 121.223 -0.146 0.000 2.012 352 L HA -0.197 4.143 4.340 0.000 0.000 0.210 352 L C 2.211 179.028 176.870 -0.088 0.000 1.073 352 L CA 0.926 55.720 54.840 -0.076 0.000 0.748 352 L CB -0.567 41.458 42.059 -0.057 0.000 0.891 352 L HN 0.322 nan 8.230 nan 0.000 0.431 353 L N -0.645 120.494 121.223 -0.139 0.000 2.046 353 L HA -0.166 4.175 4.340 0.000 0.000 0.208 353 L C 2.345 179.122 176.870 -0.156 0.000 1.077 353 L CA 1.624 56.377 54.840 -0.145 0.000 0.747 353 L CB -0.382 41.566 42.059 -0.184 0.000 0.896 353 L HN -0.066 nan 8.230 nan 0.000 0.432 354 V N -0.405 119.381 119.914 -0.214 0.000 2.407 354 V HA -0.264 3.856 4.120 0.000 0.000 0.248 354 V C 2.666 178.713 176.094 -0.078 0.000 1.055 354 V CA 1.588 63.792 62.300 -0.159 0.000 1.049 354 V CB -0.653 31.078 31.823 -0.154 0.000 0.662 354 V HN 0.519 nan 8.190 nan 0.000 0.455 355 Q N -0.311 119.460 119.800 -0.049 0.000 2.046 355 Q HA -0.100 4.240 4.340 0.000 0.000 0.200 355 Q C 2.297 178.298 176.000 0.000 0.000 0.975 355 Q CA 1.534 57.338 55.803 0.000 0.000 0.836 355 Q CB -0.503 28.257 28.738 0.036 0.000 0.896 355 Q HN 0.539 nan 8.270 nan 0.000 0.428 356 L N 0.598 121.812 121.223 -0.015 0.000 2.046 356 L HA -0.200 4.140 4.340 0.000 0.000 0.208 356 L C 2.305 179.167 176.870 -0.013 0.000 1.077 356 L CA 1.266 56.102 54.840 -0.006 0.000 0.747 356 L CB -0.392 41.658 42.059 -0.015 0.000 0.896 356 L HN 0.259 nan 8.230 nan 0.000 0.432 357 E N -0.378 119.797 120.200 -0.042 0.000 2.110 357 E HA -0.165 4.185 4.350 0.000 0.000 0.193 357 E C 2.307 178.882 176.600 -0.042 0.000 0.988 357 E CA 1.419 57.788 56.400 -0.051 0.000 0.804 357 E CB -0.002 29.642 29.700 -0.093 0.000 0.745 357 E HN 0.372 nan 8.360 nan 0.000 0.458 358 S N 0.733 116.406 115.700 -0.044 0.000 2.368 358 S HA -0.111 4.359 4.470 0.000 0.000 0.224 358 S C 2.028 176.620 174.600 -0.013 0.000 1.029 358 S CA 0.743 58.915 58.200 -0.046 0.000 0.988 358 S CB -0.125 63.048 63.200 -0.046 0.000 0.838 358 S HN 0.182 nan 8.310 nan 0.000 0.462 359 I N 1.797 122.377 120.570 0.016 0.000 2.179 359 I HA -0.208 3.963 4.170 0.000 0.000 0.242 359 I C 2.740 178.890 176.117 0.055 0.000 1.088 359 I CA 1.131 62.460 61.300 0.049 0.000 1.357 359 I CB -0.527 37.511 38.000 0.063 0.000 1.051 359 I HN 0.262 nan 8.210 nan 0.000 0.409 360 A N 0.982 123.827 122.820 0.041 0.000 1.883 360 A HA -0.212 4.108 4.320 0.000 0.000 0.217 360 A C 2.306 179.931 177.584 0.067 0.000 1.186 360 A CA 1.746 53.812 52.037 0.048 0.000 0.624 360 A CB -0.964 18.053 19.000 0.028 0.000 0.822 360 A HN 0.388 nan 8.150 nan 0.000 0.444 361 I N -0.491 120.114 120.570 0.059 0.000 2.226 361 I HA -0.235 3.935 4.170 0.000 0.000 0.245 361 I C 2.616 178.817 176.117 0.140 0.000 1.100 361 I CA 1.787 63.149 61.300 0.103 0.000 1.374 361 I CB -0.512 37.527 38.000 0.066 0.000 1.057 361 I HN 0.280 nan 8.210 nan 0.000 0.413 362 T N 1.023 115.620 114.554 0.071 0.000 2.708 362 T HA -0.133 4.217 4.350 0.000 0.000 0.266 362 T C 1.919 176.717 174.700 0.164 0.000 1.037 362 T CA 1.413 63.556 62.100 0.072 0.000 1.146 362 T CB -0.282 68.601 68.868 0.026 0.000 0.865 362 T HN 0.224 nan 8.240 nan 0.000 0.435 363 I N 0.806 121.464 120.570 0.146 0.000 2.127 363 I HA -0.178 3.992 4.170 0.000 0.000 0.241 363 I C 2.489 178.705 176.117 0.166 0.000 1.075 363 I CA 1.122 62.515 61.300 0.155 0.000 1.334 363 I CB -0.451 37.620 38.000 0.118 0.000 1.040 363 I HN 0.094 nan 8.210 nan 0.000 0.405 364 V N -0.000 120.002 119.914 0.147 0.000 2.358 364 V HA -0.277 3.844 4.120 0.000 0.000 0.246 364 V C 2.100 178.291 176.094 0.160 0.000 1.047 364 V CA 1.647 64.019 62.300 0.120 0.000 1.035 364 V CB -0.758 31.111 31.823 0.077 0.000 0.658 364 V HN 0.603 nan 8.190 nan 0.000 0.452 365 W N 0.802 122.119 121.300 0.029 0.000 2.354 365 W HA -0.223 4.439 4.660 0.003 0.000 0.315 365 W C 2.904 179.459 176.519 0.060 0.000 1.206 365 W CA 2.391 59.744 57.345 0.014 0.000 1.290 365 W CB -0.640 28.802 29.460 -0.030 0.000 1.152 365 W HN 0.358 nan 8.180 nan 0.000 0.489 366 S N 0.135 116.105 115.700 0.451 0.000 2.368 366 S HA -0.100 4.370 4.470 0.000 0.000 0.225 366 S C 2.068 176.940 174.600 0.454 0.000 1.030 366 S CA 2.056 60.548 58.200 0.488 0.000 0.999 366 S CB -0.911 62.593 63.200 0.506 0.000 0.844 366 S HN 0.296 nan 8.310 nan 0.000 0.459 367 G N 0.840 109.825 108.800 0.308 0.000 2.421 367 G HA2 -0.146 3.814 3.960 0.000 0.000 0.216 367 G HA3 -0.146 3.814 3.960 0.000 0.000 0.216 367 G C 1.496 176.546 174.900 0.250 0.000 1.171 367 G CA 1.146 46.397 45.100 0.251 0.000 0.775 367 G HN 0.466 nan 8.290 nan 0.000 0.543 368 V N 0.465 120.473 119.914 0.157 0.000 2.261 368 V HA -0.174 3.946 4.120 0.000 0.000 0.246 368 V C 3.050 179.253 176.094 0.181 0.000 1.047 368 V CA 1.592 63.956 62.300 0.107 0.000 1.015 368 V CB -0.503 31.289 31.823 -0.051 0.000 0.642 368 V HN 0.244 nan 8.190 nan 0.000 0.446 369 V N 0.286 120.292 119.914 0.154 0.000 2.343 369 V HA -0.259 3.861 4.120 0.000 0.000 0.247 369 V C 2.714 179.008 176.094 0.334 0.000 1.051 369 V CA 2.006 64.415 62.300 0.181 0.000 1.036 369 V CB -1.191 30.706 31.823 0.124 0.000 0.654 369 V HN 0.559 nan 8.190 nan 0.000 0.451 370 A N -0.408 122.720 122.820 0.514 0.000 1.883 370 A HA -0.268 4.052 4.320 0.000 0.000 0.217 370 A C 2.128 179.993 177.584 0.469 0.000 1.186 370 A CA 2.157 54.526 52.037 0.553 0.000 0.624 370 A CB -0.791 18.539 19.000 0.550 0.000 0.822 370 A HN 0.512 nan 8.150 nan 0.000 0.444 371 F N 0.518 120.665 119.950 0.328 0.000 2.126 371 F HA -0.179 4.347 4.527 -0.002 0.000 0.299 371 F C 1.988 177.926 175.800 0.231 0.000 1.096 371 F CA 1.774 59.950 58.000 0.294 0.000 1.255 371 F CB -0.223 38.888 39.000 0.186 0.000 0.997 371 F HN 0.191 nan 8.300 nan 0.000 0.479 372 I N -0.171 120.553 120.570 0.257 0.000 2.226 372 I HA -0.249 3.922 4.170 0.000 0.000 0.245 372 I C 2.753 178.905 176.117 0.059 0.000 1.100 372 I CA 1.417 62.786 61.300 0.115 0.000 1.374 372 I CB -1.287 36.782 38.000 0.115 0.000 1.057 372 I HN 0.285 nan 8.210 nan 0.000 0.413 373 G N 0.131 108.988 108.800 0.095 0.000 2.459 373 G HA2 -0.276 3.684 3.960 0.000 0.000 0.217 373 G HA3 -0.276 3.684 3.960 0.000 0.000 0.217 373 G C 1.447 176.427 174.900 0.135 0.000 1.183 373 G CA 0.768 45.916 45.100 0.079 0.000 0.776 373 G HN 0.256 nan 8.290 nan 0.000 0.552 374 Y N 1.112 121.560 120.300 0.245 0.000 2.224 374 Y HA -0.018 4.532 4.550 -0.000 0.000 0.289 374 Y C 2.863 178.713 175.900 -0.083 0.000 1.146 374 Y CA 1.197 59.317 58.100 0.033 0.000 1.182 374 Y CB -0.080 38.323 38.460 -0.095 0.000 0.983 374 Y HN 0.029 nan 8.280 nan 0.000 0.524 375 K N -0.221 120.148 120.400 -0.051 0.000 2.097 375 K HA -0.132 4.189 4.320 0.000 0.000 0.205 375 K C 2.122 178.700 176.600 -0.038 0.000 1.050 375 K CA 0.827 57.027 56.287 -0.145 0.000 0.938 375 K CB -0.800 31.503 32.500 -0.327 0.000 0.718 375 K HN 0.280 nan 8.250 nan 0.000 0.442 376 L N 1.140 122.363 121.223 -0.000 0.000 2.046 376 L HA -0.083 4.257 4.340 0.000 0.000 0.208 376 L C 2.156 179.050 176.870 0.040 0.000 1.077 376 L CA 1.861 56.714 54.840 0.020 0.000 0.747 376 L CB -0.748 41.328 42.059 0.028 0.000 0.896 376 L HN 0.108 nan 8.230 nan 0.000 0.432 377 A N -0.928 121.934 122.820 0.070 0.000 1.898 377 A HA -0.246 4.074 4.320 0.000 0.000 0.216 377 A C 2.118 179.738 177.584 0.060 0.000 1.181 377 A CA 1.758 53.847 52.037 0.086 0.000 0.620 377 A CB -0.952 18.132 19.000 0.140 0.000 0.819 377 A HN 0.526 nan 8.150 nan 0.000 0.442 378 D N -0.270 120.157 120.400 0.044 0.000 2.178 378 D HA -0.074 4.566 4.640 0.000 0.000 0.201 378 D C 1.710 178.016 176.300 0.010 0.000 0.980 378 D CA 0.948 54.958 54.000 0.017 0.000 0.842 378 D CB -0.155 40.639 40.800 -0.010 0.000 0.948 378 D HN 0.429 nan 8.370 nan 0.000 0.472 379 L N -0.653 120.575 121.223 0.008 0.000 2.341 379 L HA 0.015 4.356 4.340 0.000 0.000 0.214 379 L C 2.051 178.930 176.870 0.014 0.000 1.115 379 L CA 0.809 55.653 54.840 0.007 0.000 0.820 379 L CB -0.024 42.038 42.059 0.004 0.000 0.944 379 L HN 0.031 nan 8.230 nan 0.000 0.452 380 T N -1.332 113.236 114.554 0.022 0.000 2.988 380 T HA -0.023 4.327 4.350 0.000 0.000 0.240 380 T C 1.518 176.235 174.700 0.028 0.000 1.014 380 T CA 1.318 63.434 62.100 0.026 0.000 1.155 380 T CB 0.247 69.135 68.868 0.033 0.000 0.872 380 T HN 0.240 nan 8.240 nan 0.000 0.440 381 V N -2.098 117.837 119.914 0.036 0.000 3.562 381 V HA 0.704 4.824 4.120 0.000 0.000 0.270 381 V C 0.715 176.829 176.094 0.033 0.000 1.418 381 V CA 0.295 62.617 62.300 0.037 0.000 1.033 381 V CB -0.268 31.586 31.823 0.052 0.000 0.820 381 V HN 0.651 nan 8.190 nan 0.000 0.441 382 G N 0.295 109.113 108.800 0.030 0.000 2.907 382 G HA2 -0.113 3.848 3.960 0.000 0.000 0.686 382 G HA3 -0.113 3.848 3.960 0.000 0.000 0.686 382 G C -0.339 174.576 174.900 0.024 0.000 1.115 382 G CA -0.051 45.061 45.100 0.019 0.000 0.760 382 G HN 0.312 nan 8.290 nan 0.000 0.620 383 L N 1.588 122.816 121.223 0.010 0.000 2.022 383 L HA 0.141 4.481 4.340 0.000 0.000 0.204 383 L C 2.310 179.170 176.870 -0.016 0.000 1.076 383 L CA 1.274 56.116 54.840 0.003 0.000 0.749 383 L CB -0.278 41.765 42.059 -0.026 0.000 0.903 383 L HN 0.825 nan 8.230 nan 0.000 0.439 384 R N 0.991 121.471 120.500 -0.034 0.000 2.538 384 R HA 0.072 4.412 4.340 0.000 0.000 0.282 384 R C -0.123 176.165 176.300 -0.019 0.000 1.009 384 R CA -0.443 55.634 56.100 -0.039 0.000 1.063 384 R CB 0.213 30.485 30.300 -0.047 0.000 0.945 384 R HN -0.011 nan 8.270 nan 0.000 0.414 385 V N 5.525 125.426 119.914 -0.021 0.000 2.625 385 V HA 0.001 4.121 4.120 0.000 0.000 0.305 385 V C -1.237 174.856 176.094 -0.002 0.000 1.055 385 V CA -0.911 61.386 62.300 -0.006 0.000 1.209 385 V CB -0.085 31.728 31.823 -0.015 0.000 0.877 385 V HN 0.932 nan 8.190 nan 0.000 0.489 386 P HA 0.000 nan 4.420 nan 0.000 0.216 386 P CA 0.000 63.106 63.100 0.009 0.000 0.800 386 P CB 0.000 31.711 31.700 0.019 0.000 0.726