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 2gsy_1_O DATA FIRST_RESID 8 DATA SEQUENCE TQQIVPFIRS LLMPTTGPAS IPDDTLEKHT LRSETSTYNL TVGDTGSGLI DATA SEQUENCE VFFPGFPGSI VGAHYTLQGN GNYKFDQMLL TAQNLPASYN YCRLVSRSLT DATA SEQUENCE VRSSTLPXXX XXLNGTINAV TFQGSLSELT DVSYNGLMSA TANINDKIGN DATA SEQUENCE VLVGEGVTVL SLPTSYDLGY VRLGDPIPAI GLDPKMVATC DSSDRPRVYT DATA SEQUENCE ITAADDYQFS SQYQPGGVTI TLFSANIDAI TSLSVGGELV FRTSVHGLVL DATA SEQUENCE GATIYLIGFD GTTVITRAVA ANNGLTTGTD NLMPFNLVIP TNEITQPITS DATA SEQUENCE IKLEIVTSKS GGQAGDQMSW SARGSLAVTI HGGNYPGALR PVTLVAYERV DATA SEQUENCE ATGSVVTVAG VSNFELIPNP ELAKNLVTEY GRFDPGAMNY TKLILSERDR DATA SEQUENCE LGIKTVWPTR EYTDFREYFM EVADLNSPLK IAG 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.623 174.700 -0.128 0.000 1.109 8 T CA 0.000 62.013 62.100 -0.145 0.000 1.349 8 T CB 0.000 68.836 68.868 -0.054 0.000 0.612 9 Q N 0.457 120.163 119.800 -0.157 0.000 2.285 9 Q HA 0.867 5.207 4.340 -0.000 0.000 0.269 9 Q C 0.651 176.580 176.000 -0.119 0.000 1.030 9 Q CA 0.686 56.419 55.803 -0.116 0.000 0.788 9 Q CB 0.734 29.415 28.738 -0.096 0.000 1.266 9 Q HN 2.519 nan 8.270 nan 0.000 0.438 10 Q N 0.468 120.206 119.800 -0.103 0.000 2.363 10 Q HA -0.279 4.061 4.340 -0.000 0.000 0.409 10 Q C 1.131 177.054 176.000 -0.129 0.000 1.118 10 Q CA 4.477 60.218 55.803 -0.103 0.000 0.966 10 Q CB -2.621 26.068 28.738 -0.082 0.000 1.795 10 Q HN 2.312 nan 8.270 nan 0.000 0.941 11 I N -6.418 114.081 120.570 -0.120 0.000 3.519 11 I HA 0.730 4.900 4.170 -0.000 0.000 0.314 11 I C -0.601 175.446 176.117 -0.117 0.000 1.273 11 I CA -0.589 60.633 61.300 -0.131 0.000 1.108 11 I CB 1.738 39.667 38.000 -0.118 0.000 1.212 11 I HN 0.653 nan 8.210 nan 0.000 0.420 12 V N 1.736 121.611 119.914 -0.065 0.000 2.419 12 V HA 0.291 4.411 4.120 -0.000 0.000 0.287 12 V C -1.867 174.262 176.094 0.057 0.000 1.017 12 V CA -1.095 61.186 62.300 -0.032 0.000 0.844 12 V CB 1.088 32.870 31.823 -0.069 0.000 1.011 12 V HN 0.536 nan 8.190 nan 0.000 0.429 13 P HA -0.256 nan 4.420 nan 0.000 0.219 13 P C 1.583 178.958 177.300 0.124 0.000 1.158 13 P CA 1.686 64.834 63.100 0.080 0.000 0.895 13 P CB 0.115 31.864 31.700 0.081 0.000 0.792 14 F N -0.346 119.621 119.950 0.028 0.000 2.102 14 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 14 F C 2.045 177.886 175.800 0.068 0.000 1.105 14 F CA 1.292 59.310 58.000 0.030 0.000 1.239 14 F CB -0.730 38.263 39.000 -0.011 0.000 0.991 14 F HN -0.234 nan 8.300 nan 0.000 0.474 15 I N 0.650 121.225 120.570 0.008 0.000 2.208 15 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 15 I C 2.583 178.689 176.117 -0.019 0.000 1.097 15 I CA 1.424 62.715 61.300 -0.014 0.000 1.363 15 I CB -1.307 36.849 38.000 0.260 0.000 1.051 15 I HN 0.211 nan 8.210 nan 0.000 0.413 16 R N 0.270 120.833 120.500 0.106 0.000 2.083 16 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 16 R C 2.596 178.911 176.300 0.025 0.000 1.137 16 R CA 2.138 58.331 56.100 0.155 0.000 0.951 16 R CB -0.236 30.133 30.300 0.115 0.000 0.851 16 R HN 0.227 nan 8.270 nan 0.000 0.434 17 S N 0.073 115.730 115.700 -0.071 0.000 2.368 17 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 17 S C 1.845 176.332 174.600 -0.189 0.000 1.029 17 S CA 1.134 59.270 58.200 -0.106 0.000 0.988 17 S CB -0.246 62.901 63.200 -0.089 0.000 0.838 17 S HN 0.355 nan 8.310 nan 0.000 0.462 18 L N 1.294 122.284 121.223 -0.389 0.000 2.027 18 L HA 0.139 4.479 4.340 -0.000 0.000 0.206 18 L C 1.963 178.756 176.870 -0.127 0.000 1.074 18 L CA 1.797 56.427 54.840 -0.351 0.000 0.745 18 L CB -0.445 41.279 42.059 -0.559 0.000 0.898 18 L HN 0.373 nan 8.230 nan 0.000 0.433 19 L N -1.515 119.654 121.223 -0.089 0.000 2.375 19 L HA 0.082 4.422 4.340 -0.000 0.000 0.215 19 L C 0.675 177.629 176.870 0.139 0.000 1.108 19 L CA 0.320 55.175 54.840 0.025 0.000 0.830 19 L CB 0.001 41.991 42.059 -0.115 0.000 0.959 19 L HN 0.239 nan 8.230 nan 0.000 0.457 20 M N -0.549 119.109 119.600 0.096 0.000 2.389 20 M HA 0.238 4.718 4.480 -0.000 0.000 0.206 20 M C -1.980 174.360 176.300 0.067 0.000 0.976 20 M CA -1.273 54.109 55.300 0.137 0.000 0.648 20 M CB 1.595 34.270 32.600 0.125 0.000 1.474 20 M HN -0.264 nan 8.290 nan 0.000 0.398 21 P HA -0.157 nan 4.420 nan 0.000 0.219 21 P C 1.360 178.660 177.300 0.001 0.000 1.146 21 P CA 1.472 64.564 63.100 -0.013 0.000 0.808 21 P CB -0.179 31.492 31.700 -0.048 0.000 0.779 22 T N -5.736 108.831 114.554 0.022 0.000 3.098 22 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 22 T C 1.696 176.411 174.700 0.024 0.000 1.145 22 T CA 1.378 63.492 62.100 0.022 0.000 1.092 22 T CB -1.423 67.465 68.868 0.034 0.000 0.908 22 T HN 0.016 nan 8.240 nan 0.000 0.526 23 T N 0.847 115.417 114.554 0.027 0.000 3.023 23 T HA 0.454 4.804 4.350 -0.000 0.000 0.266 23 T C 0.927 175.641 174.700 0.023 0.000 1.093 23 T CA 1.046 63.161 62.100 0.024 0.000 1.129 23 T CB -0.656 68.230 68.868 0.030 0.000 0.899 23 T HN 0.989 nan 8.240 nan 0.000 0.491 24 G N 1.343 110.156 108.800 0.022 0.000 2.408 24 G HA2 0.075 4.035 3.960 -0.000 0.000 0.682 24 G HA3 0.075 4.035 3.960 -0.000 0.000 0.682 24 G C -3.334 171.585 174.900 0.031 0.000 1.303 24 G CA -0.961 44.157 45.100 0.030 0.000 0.966 24 G HN 0.073 nan 8.290 nan 0.000 0.560 25 P HA 0.719 nan 4.420 nan 0.000 0.283 25 P C -0.459 176.902 177.300 0.102 0.000 1.271 25 P CA 0.183 63.324 63.100 0.068 0.000 0.841 25 P CB 1.984 33.737 31.700 0.088 0.000 1.122 26 A N 0.527 123.437 122.820 0.151 0.000 2.572 26 A HA 0.601 4.921 4.320 -0.000 0.000 0.295 26 A C -0.522 177.217 177.584 0.258 0.000 1.072 26 A CA -0.543 51.616 52.037 0.203 0.000 0.691 26 A CB 0.728 19.864 19.000 0.226 0.000 1.291 26 A HN 0.383 nan 8.150 nan 0.000 0.404 27 S N 0.808 116.645 115.700 0.228 0.000 2.549 27 S HA 0.359 4.829 4.470 -0.000 0.000 0.279 27 S C 0.299 174.881 174.600 -0.029 0.000 1.321 27 S CA -0.157 58.148 58.200 0.176 0.000 1.054 27 S CB 0.065 63.434 63.200 0.281 0.000 0.899 27 S HN 0.463 nan 8.310 nan 0.000 0.497 28 I N 4.953 125.391 120.570 -0.219 0.000 2.598 28 I HA 0.105 4.275 4.170 -0.000 0.000 0.284 28 I C -1.558 174.223 176.117 -0.559 0.000 1.140 28 I CA -1.405 59.468 61.300 -0.711 0.000 1.420 28 I CB 0.390 38.077 38.000 -0.522 0.000 1.387 28 I HN 0.427 nan 8.210 nan 0.000 0.553 29 P HA 0.110 nan 4.420 nan 0.000 0.214 29 P C -1.049 176.088 177.300 -0.272 0.000 1.807 29 P CA -0.266 62.621 63.100 -0.354 0.000 0.921 29 P CB -0.403 31.112 31.700 -0.310 0.000 1.835 30 D N -1.016 119.237 120.400 -0.245 0.000 2.541 30 D HA 0.121 4.761 4.640 -0.000 0.000 0.276 30 D C 0.444 176.724 176.300 -0.032 0.000 1.190 30 D CA -0.370 53.556 54.000 -0.124 0.000 1.095 30 D CB -0.002 40.736 40.800 -0.102 0.000 1.173 30 D HN -0.176 nan 8.370 nan 0.000 0.604 31 D N -1.342 119.059 120.400 0.002 0.000 2.349 31 D HA 0.040 4.680 4.640 -0.000 0.000 0.214 31 D C -0.009 176.319 176.300 0.046 0.000 1.063 31 D CA 0.319 54.332 54.000 0.022 0.000 0.847 31 D CB 0.081 40.892 40.800 0.019 0.000 0.933 31 D HN 0.274 nan 8.370 nan 0.000 0.513 32 T N 2.123 116.715 114.554 0.063 0.000 4.104 32 T HA 0.178 4.528 4.350 -0.000 0.000 0.285 32 T C 0.897 175.700 174.700 0.172 0.000 1.346 32 T CA -0.092 62.079 62.100 0.118 0.000 1.158 32 T CB -0.336 68.613 68.868 0.134 0.000 1.290 32 T HN 0.034 nan 8.240 nan 0.000 0.975 33 L N 3.403 124.717 121.223 0.153 0.000 2.404 33 L HA 0.254 4.594 4.340 -0.000 0.000 0.277 33 L C 0.772 177.850 176.870 0.347 0.000 1.184 33 L CA 0.051 55.032 54.840 0.235 0.000 1.013 33 L CB -0.083 42.029 42.059 0.089 0.000 1.318 33 L HN 0.378 nan 8.230 nan 0.000 0.435 34 E N 2.940 123.333 120.200 0.320 0.000 2.207 34 E HA 0.316 4.666 4.350 -0.000 0.000 0.270 34 E C -0.606 176.014 176.600 0.034 0.000 0.927 34 E CA -0.956 55.502 56.400 0.096 0.000 0.799 34 E CB 2.437 31.973 29.700 -0.273 0.000 1.172 34 E HN 0.318 nan 8.360 nan 0.000 0.404 35 K N 3.463 123.633 120.400 -0.384 0.000 2.412 35 K HA 0.049 4.369 4.320 -0.000 0.000 0.284 35 K C 0.228 176.745 176.600 -0.139 0.000 1.046 35 K CA 0.315 56.318 56.287 -0.474 0.000 0.999 35 K CB 0.139 32.311 32.500 -0.548 0.000 0.941 35 K HN 0.523 nan 8.250 nan 0.000 0.474 36 H N -0.227 118.780 119.070 -0.105 0.000 2.959 36 H HA 0.484 5.040 4.556 -0.000 0.000 0.296 36 H C -1.076 174.284 175.328 0.053 0.000 1.421 36 H CA -0.801 55.258 56.048 0.019 0.000 1.206 36 H CB 1.931 31.797 29.762 0.173 0.000 1.891 36 H HN 0.402 nan 8.280 nan 0.000 0.573 37 T N 0.600 115.269 114.554 0.193 0.000 2.906 37 T HA 0.541 4.891 4.350 -0.000 0.000 0.295 37 T C -0.889 173.951 174.700 0.233 0.000 1.061 37 T CA -0.738 61.436 62.100 0.124 0.000 1.000 37 T CB 1.111 70.058 68.868 0.130 0.000 1.103 37 T HN 0.412 nan 8.240 nan 0.000 0.486 38 L N 3.500 124.829 121.223 0.177 0.000 2.307 38 L HA 0.742 5.082 4.340 -0.000 0.000 0.284 38 L C 0.031 176.982 176.870 0.135 0.000 1.023 38 L CA -0.745 54.208 54.840 0.188 0.000 0.810 38 L CB 1.589 43.755 42.059 0.179 0.000 1.231 38 L HN 0.507 nan 8.230 nan 0.000 0.423 39 R N 0.893 121.478 120.500 0.142 0.000 2.771 39 R HA 0.599 4.939 4.340 -0.000 0.000 0.274 39 R C -1.294 175.120 176.300 0.189 0.000 0.987 39 R CA -0.471 55.712 56.100 0.139 0.000 0.908 39 R CB 2.496 32.846 30.300 0.083 0.000 1.213 39 R HN 0.520 nan 8.270 nan 0.000 0.468 40 S N 1.181 116.976 115.700 0.158 0.000 2.501 40 S HA 0.499 4.969 4.470 -0.000 0.000 0.301 40 S C -1.108 173.606 174.600 0.190 0.000 1.096 40 S CA -0.847 57.444 58.200 0.152 0.000 1.063 40 S CB 1.469 64.722 63.200 0.089 0.000 1.042 40 S HN 0.315 nan 8.310 nan 0.000 0.494 41 E N 2.337 122.680 120.200 0.239 0.000 2.224 41 E HA 0.336 4.686 4.350 -0.000 0.000 0.265 41 E C -0.400 176.298 176.600 0.163 0.000 0.878 41 E CA -0.494 56.038 56.400 0.219 0.000 0.759 41 E CB 2.026 31.911 29.700 0.308 0.000 1.164 41 E HN 0.725 nan 8.360 nan 0.000 0.414 42 T N -0.557 114.063 114.554 0.110 0.000 2.882 42 T HA 0.501 4.851 4.350 -0.000 0.000 0.287 42 T C 0.315 175.068 174.700 0.089 0.000 1.014 42 T CA -0.608 61.538 62.100 0.077 0.000 1.049 42 T CB 0.960 69.852 68.868 0.040 0.000 1.001 42 T HN 0.116 nan 8.240 nan 0.000 0.525 43 S N 1.333 117.085 115.700 0.087 0.000 2.519 43 S HA 0.669 5.139 4.470 -0.000 0.000 0.309 43 S C -0.312 174.312 174.600 0.039 0.000 1.100 43 S CA -0.921 57.350 58.200 0.118 0.000 1.059 43 S CB 1.403 64.754 63.200 0.252 0.000 1.008 43 S HN 1.068 nan 8.310 nan 0.000 0.478 44 T N 1.167 115.618 114.554 -0.171 0.000 2.881 44 T HA 0.716 5.066 4.350 -0.000 0.000 0.291 44 T C -1.314 173.078 174.700 -0.513 0.000 0.990 44 T CA -0.522 61.459 62.100 -0.198 0.000 0.976 44 T CB 0.428 69.206 68.868 -0.150 0.000 0.970 44 T HN 0.421 nan 8.240 nan 0.000 0.438 45 Y N 1.456 121.761 120.300 0.009 0.000 2.492 45 Y HA 0.552 5.102 4.550 -0.000 0.000 0.346 45 Y C -0.174 175.702 175.900 -0.041 0.000 0.997 45 Y CA -1.230 56.860 58.100 -0.016 0.000 1.025 45 Y CB 2.334 40.780 38.460 -0.023 0.000 1.263 45 Y HN 0.571 nan 8.280 nan 0.000 0.454 46 N N 3.952 122.707 118.700 0.092 0.000 2.621 46 N HA 0.383 5.122 4.740 -0.000 0.000 0.237 46 N C -1.305 174.210 175.510 0.009 0.000 0.997 46 N CA -0.297 52.768 53.050 0.025 0.000 0.918 46 N CB 0.934 39.423 38.487 0.003 0.000 1.122 46 N HN 0.548 nan 8.380 nan 0.000 0.510 47 L N 0.955 122.141 121.223 -0.062 0.000 2.350 47 L HA 0.429 4.769 4.340 -0.000 0.000 0.275 47 L C 0.719 177.548 176.870 -0.068 0.000 1.099 47 L CA -0.402 54.366 54.840 -0.120 0.000 0.808 47 L CB 0.805 42.602 42.059 -0.435 0.000 1.149 47 L HN 0.172 nan 8.230 nan 0.000 0.442 48 T N 1.823 116.389 114.554 0.020 0.000 2.799 48 T HA 0.339 4.689 4.350 -0.000 0.000 0.286 48 T C 0.085 174.851 174.700 0.110 0.000 0.973 48 T CA -0.485 61.641 62.100 0.042 0.000 1.035 48 T CB 1.665 70.559 68.868 0.044 0.000 0.932 48 T HN 0.205 nan 8.240 nan 0.000 0.469 49 V N 3.487 123.449 119.914 0.080 0.000 2.555 49 V HA 0.457 4.577 4.120 -0.000 0.000 0.286 49 V C 1.222 177.395 176.094 0.132 0.000 1.044 49 V CA -0.264 62.129 62.300 0.155 0.000 1.026 49 V CB 1.008 32.895 31.823 0.106 0.000 0.981 49 V HN 1.046 nan 8.190 nan 0.000 0.480 50 G N 2.380 111.272 108.800 0.154 0.000 2.535 50 G HA2 0.169 4.129 3.960 -0.000 0.000 0.282 50 G HA3 0.169 4.129 3.960 -0.000 0.000 0.282 50 G C 0.546 175.482 174.900 0.060 0.000 1.350 50 G CA -0.232 44.920 45.100 0.086 0.000 1.039 50 G HN 0.674 nan 8.290 nan 0.000 0.509 51 D N -0.509 119.909 120.400 0.030 0.000 2.158 51 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 51 D C 2.799 179.103 176.300 0.007 0.000 0.995 51 D CA 2.105 56.114 54.000 0.014 0.000 0.846 51 D CB -0.268 40.532 40.800 0.001 0.000 0.941 51 D HN 0.450 nan 8.370 nan 0.000 0.456 52 T N -3.582 110.972 114.554 -0.001 0.000 3.088 52 T HA 0.223 4.573 4.350 -0.000 0.000 0.259 52 T C 1.667 176.365 174.700 -0.003 0.000 1.122 52 T CA 0.853 62.940 62.100 -0.021 0.000 1.095 52 T CB 0.150 68.983 68.868 -0.058 0.000 0.930 52 T HN 0.219 nan 8.240 nan 0.000 0.508 53 G N 0.222 109.050 108.800 0.046 0.000 2.160 53 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.251 53 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.251 53 G C 0.043 175.028 174.900 0.141 0.000 1.008 53 G CA 0.287 45.444 45.100 0.095 0.000 0.724 53 G HN 0.999 nan 8.290 nan 0.000 0.514 54 S N -1.322 114.416 115.700 0.063 0.000 2.546 54 S HA 0.929 5.399 4.470 -0.000 0.000 0.274 54 S C 0.105 174.493 174.600 -0.354 0.000 1.121 54 S CA 0.719 58.827 58.200 -0.154 0.000 0.887 54 S CB 1.848 64.953 63.200 -0.159 0.000 1.094 54 S HN 1.930 nan 8.310 nan 0.000 0.474 55 G N 1.111 109.373 108.800 -0.898 0.000 2.488 55 G HA2 0.564 4.524 3.960 -0.000 0.000 0.301 55 G HA3 0.564 4.524 3.960 -0.000 0.000 0.301 55 G C -2.474 172.167 174.900 -0.431 0.000 1.339 55 G CA -0.524 44.216 45.100 -0.599 0.000 0.803 55 G HN 0.999 nan 8.290 nan 0.000 0.482 56 L N -0.133 121.122 121.223 0.053 0.000 2.464 56 L HA 0.780 5.120 4.340 -0.000 0.000 0.266 56 L C -1.216 175.765 176.870 0.185 0.000 0.965 56 L CA -0.652 54.250 54.840 0.103 0.000 0.833 56 L CB 1.794 43.849 42.059 -0.008 0.000 1.296 56 L HN 0.518 nan 8.230 nan 0.000 0.405 57 I N 5.350 125.963 120.570 0.072 0.000 2.339 57 I HA 0.445 4.615 4.170 -0.000 0.000 0.290 57 I C -0.657 175.221 176.117 -0.399 0.000 0.994 57 I CA -0.908 60.285 61.300 -0.177 0.000 1.191 57 I CB 1.849 39.634 38.000 -0.358 0.000 1.343 57 I HN 0.254 nan 8.210 nan 0.000 0.458 58 V N 7.294 126.929 119.914 -0.466 0.000 2.350 58 V HA 0.363 4.483 4.120 -0.000 0.000 0.276 58 V C -0.273 175.339 176.094 -0.803 0.000 1.028 58 V CA -0.327 61.638 62.300 -0.559 0.000 0.860 58 V CB 0.826 32.341 31.823 -0.513 0.000 0.990 58 V HN 0.403 nan 8.190 nan 0.000 0.453 59 F N 4.089 123.765 119.950 -0.458 0.000 2.458 59 F HA 0.583 5.110 4.527 -0.000 0.000 0.330 59 F C -0.013 175.462 175.800 -0.541 0.000 1.082 59 F CA -0.626 57.124 58.000 -0.417 0.000 0.995 59 F CB 1.749 40.657 39.000 -0.152 0.000 1.170 59 F HN 0.366 nan 8.300 nan 0.000 0.478 60 F N 3.604 123.727 119.950 0.288 0.000 2.334 60 F HA 0.280 4.807 4.527 -0.000 0.000 0.343 60 F C -1.639 174.306 175.800 0.241 0.000 1.136 60 F CA -1.816 56.325 58.000 0.235 0.000 1.237 60 F CB 0.243 39.375 39.000 0.219 0.000 1.525 60 F HN 0.267 nan 8.300 nan 0.000 0.528 61 P HA -0.132 nan 4.420 nan 0.000 0.219 61 P C 1.389 178.794 177.300 0.175 0.000 1.146 61 P CA 1.244 64.437 63.100 0.155 0.000 0.808 61 P CB 0.318 32.063 31.700 0.074 0.000 0.779 62 G N -1.688 107.248 108.800 0.227 0.000 3.337 62 G HA2 0.047 4.007 3.960 -0.000 0.000 0.246 62 G HA3 0.047 4.007 3.960 -0.000 0.000 0.246 62 G C -0.164 174.891 174.900 0.257 0.000 1.131 62 G CA -0.389 44.823 45.100 0.186 0.000 0.773 62 G HN 0.152 nan 8.290 nan 0.000 0.544 63 F N 3.171 123.255 119.950 0.223 0.000 2.571 63 F HA 0.286 4.813 4.527 -0.000 0.000 0.384 63 F C -1.595 174.354 175.800 0.249 0.000 1.058 63 F CA -2.451 55.682 58.000 0.222 0.000 1.200 63 F CB 1.109 40.243 39.000 0.224 0.000 1.077 63 F HN -0.053 nan 8.300 nan 0.000 0.558 64 P HA 0.318 nan 4.420 nan 0.000 0.238 64 P C -0.049 177.182 177.300 -0.115 0.000 1.794 64 P CA 0.361 63.407 63.100 -0.090 0.000 1.088 64 P CB 0.230 31.796 31.700 -0.223 0.000 1.923 65 G N 0.430 109.423 108.800 0.320 0.000 2.368 65 G HA2 0.000 3.960 3.960 -0.000 0.000 0.269 65 G HA3 0.000 3.960 3.960 -0.000 0.000 0.269 65 G C 0.221 175.379 174.900 0.431 0.000 1.291 65 G CA -0.349 44.904 45.100 0.255 0.000 0.903 65 G HN -0.040 nan 8.290 nan 0.000 0.483 66 S N -0.420 115.462 115.700 0.303 0.000 2.593 66 S HA 0.295 4.765 4.470 -0.000 0.000 0.217 66 S C 0.929 175.620 174.600 0.151 0.000 0.966 66 S CA 0.064 58.382 58.200 0.196 0.000 0.914 66 S CB -0.254 63.011 63.200 0.108 0.000 0.776 66 S HN 0.348 nan 8.310 nan 0.000 0.523 67 I N 1.318 121.871 120.570 -0.029 0.000 2.337 67 I HA 0.147 4.317 4.170 -0.000 0.000 0.291 67 I C 0.834 176.928 176.117 -0.037 0.000 1.046 67 I CA -0.128 61.004 61.300 -0.280 0.000 1.324 67 I CB 1.450 38.912 38.000 -0.896 0.000 1.409 67 I HN -0.059 nan 8.210 nan 0.000 0.494 68 V N 5.323 125.339 119.914 0.169 0.000 2.922 68 V HA 0.436 4.556 4.120 -0.000 0.000 0.242 68 V C 0.942 177.275 176.094 0.398 0.000 1.094 68 V CA 1.059 63.548 62.300 0.316 0.000 1.106 68 V CB 0.417 32.427 31.823 0.311 0.000 0.799 68 V HN 0.961 nan 8.190 nan 0.000 0.474 69 G N -1.124 107.826 108.800 0.249 0.000 2.348 69 G HA2 0.661 4.621 3.960 -0.000 0.000 0.296 69 G HA3 0.661 4.621 3.960 -0.000 0.000 0.296 69 G C -1.841 173.031 174.900 -0.047 0.000 1.258 69 G CA 0.154 45.245 45.100 -0.015 0.000 0.868 69 G HN 0.655 nan 8.290 nan 0.000 0.488 70 A N -0.618 122.072 122.820 -0.216 0.000 2.549 70 A HA 0.791 5.111 4.320 -0.000 0.000 0.297 70 A C -1.285 176.128 177.584 -0.285 0.000 1.061 70 A CA -0.444 51.496 52.037 -0.162 0.000 0.690 70 A CB 1.549 20.562 19.000 0.023 0.000 1.287 70 A HN 1.201 nan 8.150 nan 0.000 0.402 71 H N 1.225 119.997 119.070 -0.496 0.000 2.466 71 H HA 0.644 5.200 4.556 -0.000 0.000 0.338 71 H C -1.802 173.229 175.328 -0.496 0.000 1.091 71 H CA -0.285 55.531 56.048 -0.387 0.000 1.207 71 H CB 0.905 30.488 29.762 -0.298 0.000 1.466 71 H HN 0.613 nan 8.280 nan 0.000 0.493 72 Y N 2.127 122.210 120.300 -0.360 0.000 2.425 72 Y HA 0.172 4.722 4.550 -0.000 0.000 0.344 72 Y C 0.459 176.189 175.900 -0.282 0.000 0.969 72 Y CA -0.825 57.144 58.100 -0.218 0.000 1.052 72 Y CB 2.136 40.661 38.460 0.108 0.000 1.215 72 Y HN 0.581 nan 8.280 nan 0.000 0.451 73 T N 0.560 115.067 114.554 -0.078 0.000 2.922 73 T HA 0.571 4.921 4.350 -0.000 0.000 0.285 73 T C -0.761 173.981 174.700 0.070 0.000 1.005 73 T CA -0.756 61.342 62.100 -0.005 0.000 1.061 73 T CB 1.397 70.255 68.868 -0.016 0.000 1.007 73 T HN 0.460 nan 8.240 nan 0.000 0.502 74 L N 1.873 123.062 121.223 -0.057 0.000 2.334 74 L HA 0.446 4.786 4.340 -0.000 0.000 0.277 74 L C -0.054 176.716 176.870 -0.166 0.000 1.075 74 L CA -0.029 54.654 54.840 -0.262 0.000 0.804 74 L CB 1.142 42.984 42.059 -0.361 0.000 1.174 74 L HN 0.760 nan 8.230 nan 0.000 0.438 75 Q N 2.362 122.050 119.800 -0.187 0.000 2.297 75 Q HA 0.356 4.696 4.340 -0.000 0.000 0.269 75 Q C 0.921 176.854 176.000 -0.112 0.000 1.051 75 Q CA -0.176 55.562 55.803 -0.110 0.000 0.869 75 Q CB 1.456 30.148 28.738 -0.077 0.000 1.346 75 Q HN 0.899 nan 8.270 nan 0.000 0.457 76 G N 1.659 110.414 108.800 -0.075 0.000 2.556 76 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.220 76 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.220 76 G C 0.885 175.739 174.900 -0.076 0.000 1.156 76 G CA 1.436 46.496 45.100 -0.066 0.000 0.766 76 G HN 0.846 nan 8.290 nan 0.000 0.583 77 N N 0.820 119.474 118.700 -0.077 0.000 2.515 77 N HA 0.131 4.871 4.740 -0.000 0.000 0.191 77 N C 1.557 177.005 175.510 -0.103 0.000 1.182 77 N CA 1.024 54.028 53.050 -0.078 0.000 0.879 77 N CB 0.053 38.502 38.487 -0.064 0.000 0.984 77 N HN 0.589 nan 8.380 nan 0.000 0.453 78 G N 0.413 109.128 108.800 -0.140 0.000 2.176 78 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.253 78 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.253 78 G C -0.209 174.538 174.900 -0.255 0.000 0.979 78 G CA -0.191 44.796 45.100 -0.189 0.000 0.641 78 G HN 0.430 nan 8.290 nan 0.000 0.530 79 N N -0.136 118.437 118.700 -0.212 0.000 2.515 79 N HA 0.554 5.294 4.740 -0.000 0.000 0.279 79 N C -0.082 175.271 175.510 -0.260 0.000 1.164 79 N CA -0.253 52.677 53.050 -0.199 0.000 0.982 79 N CB 0.445 38.871 38.487 -0.102 0.000 1.170 79 N HN 0.232 nan 8.380 nan 0.000 0.474 80 Y N 0.284 120.516 120.300 -0.112 0.000 2.301 80 Y HA 0.241 4.791 4.550 -0.000 0.000 0.328 80 Y C 1.007 176.940 175.900 0.054 0.000 1.242 80 Y CA 0.094 58.177 58.100 -0.029 0.000 1.323 80 Y CB 1.022 39.439 38.460 -0.072 0.000 1.266 80 Y HN 0.194 nan 8.280 nan 0.000 0.527 81 K N 3.272 123.860 120.400 0.314 0.000 2.471 81 K HA 0.254 4.574 4.320 -0.000 0.000 0.252 81 K C -1.443 175.363 176.600 0.343 0.000 0.938 81 K CA -0.800 55.648 56.287 0.269 0.000 0.796 81 K CB 0.900 33.473 32.500 0.121 0.000 1.161 81 K HN 0.559 nan 8.250 nan 0.000 0.425 82 F N 3.834 123.928 119.950 0.240 0.000 2.607 82 F HA -0.027 4.500 4.527 -0.000 0.000 0.374 82 F C 0.883 176.617 175.800 -0.110 0.000 1.104 82 F CA 0.677 58.670 58.000 -0.012 0.000 1.296 82 F CB 0.806 39.825 39.000 0.031 0.000 1.085 82 F HN 0.818 nan 8.300 nan 0.000 0.584 83 D N 2.323 122.127 120.400 -0.993 0.000 2.805 83 D HA 0.107 4.747 4.640 -0.000 0.000 0.271 83 D C -0.618 174.998 176.300 -1.140 0.000 1.166 83 D CA 0.921 54.459 54.000 -0.770 0.000 1.004 83 D CB 0.220 40.759 40.800 -0.436 0.000 1.136 83 D HN 0.677 nan 8.370 nan 0.000 0.444 84 Q N -0.881 118.152 119.800 -1.279 0.000 2.578 84 Q HA 0.321 4.661 4.340 -0.000 0.000 0.284 84 Q C -1.094 174.643 176.000 -0.438 0.000 0.960 84 Q CA -1.036 54.280 55.803 -0.813 0.000 0.809 84 Q CB 1.102 29.639 28.738 -0.334 0.000 1.462 84 Q HN -0.047 nan 8.270 nan 0.000 0.392 85 M N 1.810 121.400 119.600 -0.017 0.000 2.243 85 M HA 0.355 4.834 4.480 -0.000 0.000 0.341 85 M C -0.524 175.647 176.300 -0.215 0.000 1.130 85 M CA -0.010 55.303 55.300 0.021 0.000 1.162 85 M CB 0.008 32.674 32.600 0.110 0.000 1.497 85 M HN 0.615 nan 8.290 nan 0.000 0.456 86 L N 4.711 125.785 121.223 -0.248 0.000 2.272 86 L HA 0.552 4.892 4.340 -0.000 0.000 0.289 86 L C -0.448 176.416 176.870 -0.010 0.000 1.032 86 L CA -0.373 54.189 54.840 -0.462 0.000 0.810 86 L CB 0.658 42.486 42.059 -0.385 0.000 1.205 86 L HN 0.563 nan 8.230 nan 0.000 0.422 87 L N 1.285 122.649 121.223 0.235 0.000 2.279 87 L HA 0.570 4.910 4.340 -0.000 0.000 0.262 87 L C 0.519 177.594 176.870 0.342 0.000 1.019 87 L CA -0.799 54.208 54.840 0.278 0.000 0.823 87 L CB 1.927 44.122 42.059 0.227 0.000 1.358 87 L HN 0.383 nan 8.230 nan 0.000 0.432 88 T N 0.273 114.975 114.554 0.246 0.000 2.903 88 T HA 0.090 4.440 4.350 -0.000 0.000 0.314 88 T C 1.142 175.934 174.700 0.154 0.000 1.078 88 T CA 0.518 62.746 62.100 0.215 0.000 1.114 88 T CB 1.399 70.391 68.868 0.206 0.000 0.987 88 T HN 0.728 nan 8.240 nan 0.000 0.548 89 A N 2.664 125.551 122.820 0.112 0.000 1.908 89 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 89 A C 1.028 178.649 177.584 0.062 0.000 1.181 89 A CA 1.460 53.530 52.037 0.055 0.000 0.627 89 A CB -0.366 18.659 19.000 0.041 0.000 0.818 89 A HN 0.851 nan 8.150 nan 0.000 0.445 90 Q N -1.529 118.319 119.800 0.080 0.000 2.433 90 Q HA 0.490 4.830 4.340 -0.000 0.000 0.279 90 Q C -1.218 174.828 176.000 0.076 0.000 1.105 90 Q CA -0.980 54.867 55.803 0.072 0.000 0.815 90 Q CB 0.782 29.561 28.738 0.069 0.000 1.403 90 Q HN 0.136 nan 8.270 nan 0.000 0.435 91 N N 1.616 120.355 118.700 0.065 0.000 2.415 91 N HA 0.130 4.870 4.740 -0.000 0.000 0.250 91 N C 0.484 176.031 175.510 0.061 0.000 1.127 91 N CA -0.007 53.079 53.050 0.060 0.000 0.945 91 N CB 0.313 38.829 38.487 0.049 0.000 1.196 91 N HN 0.765 nan 8.380 nan 0.000 0.499 92 L N 4.475 125.730 121.223 0.053 0.000 2.043 92 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 92 L C -0.666 176.272 176.870 0.112 0.000 1.075 92 L CA 1.263 56.156 54.840 0.087 0.000 0.752 92 L CB -1.065 40.937 42.059 -0.094 0.000 0.891 92 L HN 0.519 nan 8.230 nan 0.000 0.432 93 P HA -0.128 nan 4.420 nan 0.000 0.228 93 P C 1.089 178.391 177.300 0.003 0.000 1.151 93 P CA 1.257 64.371 63.100 0.023 0.000 0.770 93 P CB -0.019 31.687 31.700 0.010 0.000 0.786 94 A N -1.283 121.540 122.820 0.005 0.000 2.119 94 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 94 A C 2.008 179.546 177.584 -0.077 0.000 1.152 94 A CA 1.536 53.559 52.037 -0.024 0.000 0.708 94 A CB -0.552 18.441 19.000 -0.011 0.000 0.805 94 A HN 0.140 nan 8.150 nan 0.000 0.460 95 S N -2.784 112.844 115.700 -0.119 0.000 2.631 95 S HA 0.338 4.808 4.470 -0.000 0.000 0.246 95 S C -0.422 173.821 174.600 -0.595 0.000 1.068 95 S CA -0.242 57.736 58.200 -0.370 0.000 0.995 95 S CB 0.152 63.060 63.200 -0.486 0.000 0.944 95 S HN 0.497 nan 8.310 nan 0.000 0.529 96 Y N 1.035 121.321 120.300 -0.022 0.000 2.536 96 Y HA 0.523 5.073 4.550 -0.000 0.000 0.347 96 Y C 0.708 176.580 175.900 -0.046 0.000 1.000 96 Y CA -1.075 57.019 58.100 -0.010 0.000 1.051 96 Y CB 1.052 39.510 38.460 -0.003 0.000 1.259 96 Y HN -0.148 nan 8.280 nan 0.000 0.468 97 N N -0.019 118.751 118.700 0.116 0.000 2.407 97 N HA 0.086 4.826 4.740 -0.000 0.000 0.182 97 N C -1.156 174.155 175.510 -0.332 0.000 1.079 97 N CA 0.520 53.496 53.050 -0.125 0.000 0.882 97 N CB 0.450 38.858 38.487 -0.132 0.000 1.106 97 N HN 0.531 nan 8.380 nan 0.000 0.461 98 Y N -1.020 119.356 120.300 0.128 0.000 2.545 98 Y HA 0.548 5.098 4.550 -0.000 0.000 0.348 98 Y C -0.157 175.871 175.900 0.214 0.000 1.002 98 Y CA -1.158 57.038 58.100 0.159 0.000 1.039 98 Y CB 2.207 40.771 38.460 0.174 0.000 1.271 98 Y HN -0.110 nan 8.280 nan 0.000 0.467 99 C N 2.434 121.945 119.300 0.352 0.000 3.284 99 C HA 0.846 5.306 4.460 -0.000 0.000 0.338 99 C C -1.796 173.172 174.990 -0.038 0.000 1.237 99 C CA -0.718 58.382 59.018 0.136 0.000 1.276 99 C CB 1.814 29.545 27.740 -0.016 0.000 1.601 99 C HN 1.031 nan 8.230 nan 0.000 0.494 100 R N 2.677 123.135 120.500 -0.070 0.000 2.548 100 R HA 0.663 5.003 4.340 -0.000 0.000 0.280 100 R C -1.738 174.615 176.300 0.088 0.000 1.061 100 R CA -0.649 55.372 56.100 -0.131 0.000 0.915 100 R CB 1.686 31.651 30.300 -0.557 0.000 1.210 100 R HN 0.818 nan 8.270 nan 0.000 0.442 101 L N 4.689 125.985 121.223 0.121 0.000 2.319 101 L HA 0.226 4.566 4.340 -0.000 0.000 0.280 101 L C 0.147 177.037 176.870 0.034 0.000 1.099 101 L CA 0.391 55.258 54.840 0.045 0.000 0.828 101 L CB 1.608 43.706 42.059 0.065 0.000 1.150 101 L HN 0.635 nan 8.230 nan 0.000 0.442 102 V N 2.548 122.441 119.914 -0.036 0.000 2.492 102 V HA 0.257 4.377 4.120 -0.000 0.000 0.241 102 V C 0.565 176.719 176.094 0.099 0.000 1.041 102 V CA 1.132 63.496 62.300 0.107 0.000 1.057 102 V CB 0.042 31.923 31.823 0.095 0.000 0.711 102 V HN 0.941 nan 8.190 nan 0.000 0.468 103 S N -0.299 115.365 115.700 -0.059 0.000 2.597 103 S HA 0.718 5.188 4.470 -0.000 0.000 0.274 103 S C -0.942 173.577 174.600 -0.135 0.000 1.132 103 S CA -0.915 57.241 58.200 -0.075 0.000 0.835 103 S CB 2.626 65.767 63.200 -0.100 0.000 1.092 103 S HN 0.487 nan 8.310 nan 0.000 0.457 104 R N 0.436 120.875 120.500 -0.102 0.000 2.579 104 R HA 0.665 5.005 4.340 -0.000 0.000 0.260 104 R C -1.702 174.528 176.300 -0.117 0.000 1.103 104 R CA 0.005 56.036 56.100 -0.115 0.000 0.942 104 R CB 1.688 31.927 30.300 -0.101 0.000 1.251 104 R HN 1.309 nan 8.270 nan 0.000 0.450 105 S N 4.005 119.624 115.700 -0.134 0.000 2.549 105 S HA 0.775 5.245 4.470 -0.000 0.000 0.280 105 S C -1.176 173.298 174.600 -0.211 0.000 1.109 105 S CA -0.803 57.280 58.200 -0.195 0.000 0.905 105 S CB 1.752 64.822 63.200 -0.217 0.000 1.081 105 S HN 0.433 nan 8.310 nan 0.000 0.477 106 L N 1.274 122.322 121.223 -0.291 0.000 2.409 106 L HA 0.698 5.038 4.340 -0.000 0.000 0.262 106 L C -0.377 176.359 176.870 -0.223 0.000 0.992 106 L CA -0.452 54.215 54.840 -0.288 0.000 0.817 106 L CB 2.744 44.455 42.059 -0.581 0.000 1.350 106 L HN 0.780 nan 8.230 nan 0.000 0.411 107 T N 1.609 116.097 114.554 -0.110 0.000 2.812 107 T HA 0.659 5.009 4.350 -0.000 0.000 0.282 107 T C -1.015 173.697 174.700 0.020 0.000 0.990 107 T CA -0.328 61.741 62.100 -0.052 0.000 0.960 107 T CB 1.493 70.338 68.868 -0.038 0.000 0.948 107 T HN 0.211 nan 8.240 nan 0.000 0.438 108 V N 6.392 126.335 119.914 0.048 0.000 2.444 108 V HA 0.740 4.860 4.120 -0.000 0.000 0.294 108 V C -0.134 175.987 176.094 0.044 0.000 1.022 108 V CA -0.792 61.554 62.300 0.077 0.000 0.850 108 V CB 1.438 33.355 31.823 0.156 0.000 0.992 108 V HN 0.912 nan 8.190 nan 0.000 0.426 109 R N 2.305 122.812 120.500 0.011 0.000 2.712 109 R HA 0.648 4.988 4.340 -0.000 0.000 0.272 109 R C -0.807 175.471 176.300 -0.036 0.000 1.032 109 R CA -0.664 55.436 56.100 -0.001 0.000 0.874 109 R CB 1.688 31.996 30.300 0.014 0.000 1.256 109 R HN 0.593 nan 8.270 nan 0.000 0.468 110 S N -0.013 115.665 115.700 -0.037 0.000 2.584 110 S HA 0.247 4.717 4.470 -0.000 0.000 0.273 110 S C 0.580 175.163 174.600 -0.028 0.000 1.311 110 S CA 0.018 58.187 58.200 -0.051 0.000 1.034 110 S CB 1.463 64.636 63.200 -0.044 0.000 0.939 110 S HN 0.832 nan 8.310 nan 0.000 0.513 111 S N 0.823 116.505 115.700 -0.031 0.000 2.628 111 S HA 0.297 4.767 4.470 -0.000 0.000 0.246 111 S C 0.310 174.901 174.600 -0.014 0.000 1.062 111 S CA -0.148 58.041 58.200 -0.018 0.000 1.028 111 S CB -0.051 63.139 63.200 -0.017 0.000 0.985 111 S HN 0.790 nan 8.310 nan 0.000 0.551 112 T N 2.491 117.034 114.554 -0.019 0.000 2.865 112 T HA 0.783 5.133 4.350 -0.000 0.000 0.294 112 T C -1.321 173.372 174.700 -0.011 0.000 1.119 112 T CA -0.911 61.181 62.100 -0.013 0.000 1.007 112 T CB 1.855 70.716 68.868 -0.012 0.000 1.225 112 T HN 0.485 nan 8.240 nan 0.000 0.515 113 L N -0.501 120.719 121.223 -0.006 0.000 2.472 113 L HA 0.912 5.252 4.340 -0.000 0.000 0.260 113 L C -2.810 174.059 176.870 -0.000 0.000 0.963 113 L CA -1.863 52.975 54.840 -0.003 0.000 0.829 113 L CB 0.613 42.672 42.059 -0.000 0.000 1.348 113 L HN 0.441 nan 8.230 nan 0.000 0.408 121 N N 1.925 120.635 118.700 0.017 0.000 2.699 121 N HA 0.571 5.311 4.740 -0.000 0.000 0.232 121 N C 0.484 176.013 175.510 0.031 0.000 1.027 121 N CA 0.803 53.864 53.050 0.019 0.000 0.920 121 N CB 0.816 39.309 38.487 0.009 0.000 1.148 121 N HN 0.669 nan 8.380 nan 0.000 0.509 122 G N 1.404 110.222 108.800 0.030 0.000 2.598 122 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.269 122 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.269 122 G C -0.130 174.809 174.900 0.064 0.000 1.289 122 G CA 0.450 45.571 45.100 0.035 0.000 0.926 122 G HN 0.760 nan 8.290 nan 0.000 0.567 123 T N -3.010 111.598 114.554 0.091 0.000 2.812 123 T HA 0.739 5.088 4.350 -0.000 0.000 0.294 123 T C -0.523 174.358 174.700 0.302 0.000 1.159 123 T CA -0.443 61.756 62.100 0.166 0.000 1.008 123 T CB 2.137 71.111 68.868 0.178 0.000 1.289 123 T HN 1.144 nan 8.240 nan 0.000 0.514 124 I N 1.445 122.211 120.570 0.328 0.000 2.582 124 I HA 0.490 4.660 4.170 -0.000 0.000 0.292 124 I C -1.098 175.128 176.117 0.182 0.000 1.066 124 I CA -0.953 60.553 61.300 0.343 0.000 1.053 124 I CB 2.320 40.453 38.000 0.223 0.000 1.241 124 I HN 0.577 nan 8.210 nan 0.000 0.421 125 N N 4.031 122.697 118.700 -0.057 0.000 2.314 125 N HA 0.842 5.582 4.740 -0.000 0.000 0.304 125 N C -1.205 174.222 175.510 -0.138 0.000 1.073 125 N CA -0.514 52.364 53.050 -0.287 0.000 0.822 125 N CB 2.353 40.351 38.487 -0.816 0.000 1.280 125 N HN 0.689 nan 8.380 nan 0.000 0.489 126 A N 0.646 123.414 122.820 -0.086 0.000 2.515 126 A HA 0.797 5.117 4.320 -0.000 0.000 0.298 126 A C -1.179 176.380 177.584 -0.042 0.000 1.059 126 A CA -0.590 51.428 52.037 -0.031 0.000 0.698 126 A CB 1.007 20.024 19.000 0.028 0.000 1.289 126 A HN 0.384 nan 8.150 nan 0.000 0.404 127 V N -1.089 118.813 119.914 -0.020 0.000 3.049 127 V HA 0.807 4.927 4.120 -0.000 0.000 0.309 127 V C -0.303 175.811 176.094 0.033 0.000 1.148 127 V CA -0.725 61.572 62.300 -0.005 0.000 0.990 127 V CB 1.612 33.437 31.823 0.003 0.000 1.039 127 V HN 0.809 nan 8.190 nan 0.000 0.430 128 T N 3.773 118.348 114.554 0.035 0.000 2.758 128 T HA 0.606 4.956 4.350 -0.000 0.000 0.285 128 T C -0.932 173.837 174.700 0.116 0.000 0.981 128 T CA 0.082 62.219 62.100 0.063 0.000 0.965 128 T CB 0.765 69.641 68.868 0.013 0.000 0.927 128 T HN 0.660 nan 8.240 nan 0.000 0.448 129 F N 2.737 122.676 119.950 -0.018 0.000 2.436 129 F HA 0.345 4.872 4.527 -0.000 0.000 0.340 129 F C 0.823 176.624 175.800 0.002 0.000 1.113 129 F CA -0.948 57.044 58.000 -0.012 0.000 1.022 129 F CB 1.458 40.451 39.000 -0.012 0.000 1.128 129 F HN 0.463 nan 8.300 nan 0.000 0.466 130 Q N 4.606 124.022 119.800 -0.640 0.000 2.404 130 Q HA 0.313 4.653 4.340 -0.000 0.000 0.272 130 Q C 0.035 175.614 176.000 -0.703 0.000 0.939 130 Q CA -0.131 55.363 55.803 -0.514 0.000 0.945 130 Q CB 0.021 28.554 28.738 -0.341 0.000 1.195 130 Q HN 0.889 nan 8.270 nan 0.000 0.415 131 G N -0.628 107.643 108.800 -0.882 0.000 2.645 131 G HA2 0.383 4.343 3.960 -0.000 0.000 0.292 131 G HA3 0.383 4.343 3.960 -0.000 0.000 0.292 131 G C -0.893 174.096 174.900 0.148 0.000 1.415 131 G CA -0.646 44.209 45.100 -0.409 0.000 0.785 131 G HN 0.207 nan 8.290 nan 0.000 0.483 132 S N -0.628 115.238 115.700 0.277 0.000 2.669 132 S HA 0.372 4.842 4.470 -0.000 0.000 0.270 132 S C 1.434 176.249 174.600 0.359 0.000 1.225 132 S CA -0.426 57.961 58.200 0.312 0.000 0.991 132 S CB 1.483 64.827 63.200 0.240 0.000 0.987 132 S HN 0.894 nan 8.310 nan 0.000 0.552 133 L N 1.739 123.124 121.223 0.271 0.000 2.021 133 L HA -0.147 4.193 4.340 -0.000 0.000 0.215 133 L C 2.546 179.479 176.870 0.106 0.000 1.074 133 L CA 2.708 57.627 54.840 0.132 0.000 0.760 133 L CB -1.494 40.618 42.059 0.089 0.000 0.889 133 L HN 0.991 nan 8.230 nan 0.000 0.433 134 S N -1.936 113.854 115.700 0.151 0.000 2.507 134 S HA -0.114 4.356 4.470 -0.000 0.000 0.235 134 S C 1.601 176.263 174.600 0.103 0.000 0.988 134 S CA 0.942 59.217 58.200 0.124 0.000 0.944 134 S CB -0.609 62.650 63.200 0.098 0.000 0.762 134 S HN 0.677 nan 8.310 nan 0.000 0.526 135 E N 0.436 120.733 120.200 0.163 0.000 2.371 135 E HA 0.213 4.563 4.350 -0.000 0.000 0.194 135 E C -0.159 176.473 176.600 0.053 0.000 1.012 135 E CA -0.147 56.377 56.400 0.207 0.000 0.860 135 E CB -0.086 29.851 29.700 0.396 0.000 0.811 135 E HN 0.522 nan 8.360 nan 0.000 0.502 136 L N 1.981 123.048 121.223 -0.262 0.000 2.513 136 L HA -0.043 4.297 4.340 -0.000 0.000 0.272 136 L C 1.775 178.519 176.870 -0.210 0.000 1.187 136 L CA 0.126 54.639 54.840 -0.544 0.000 0.895 136 L CB 0.731 42.432 42.059 -0.596 0.000 1.147 136 L HN 0.169 nan 8.230 nan 0.000 0.483 137 T N -1.881 112.576 114.554 -0.163 0.000 2.985 137 T HA -0.023 4.327 4.350 -0.000 0.000 0.266 137 T C 0.431 175.090 174.700 -0.069 0.000 1.076 137 T CA 0.324 62.381 62.100 -0.071 0.000 1.135 137 T CB 0.120 68.969 68.868 -0.033 0.000 0.890 137 T HN 0.513 nan 8.240 nan 0.000 0.480 138 D N 0.772 121.115 120.400 -0.095 0.000 2.736 138 D HA 0.311 4.951 4.640 -0.000 0.000 0.243 138 D C 0.239 176.501 176.300 -0.063 0.000 1.304 138 D CA -0.691 53.274 54.000 -0.058 0.000 0.934 138 D CB 2.241 43.016 40.800 -0.041 0.000 1.382 138 D HN 0.097 nan 8.370 nan 0.000 0.571 139 V N 1.402 121.312 119.914 -0.006 0.000 3.276 139 V HA 0.301 4.421 4.120 -0.000 0.000 0.319 139 V C 0.767 176.934 176.094 0.120 0.000 1.427 139 V CA -0.033 62.281 62.300 0.023 0.000 1.102 139 V CB -0.481 31.389 31.823 0.079 0.000 1.020 139 V HN 0.453 nan 8.190 nan 0.000 0.456 140 S N -0.690 115.074 115.700 0.108 0.000 2.584 140 S HA 0.247 4.717 4.470 -0.000 0.000 0.270 140 S C 0.869 175.547 174.600 0.129 0.000 1.346 140 S CA 0.251 58.536 58.200 0.142 0.000 1.018 140 S CB 0.622 63.871 63.200 0.082 0.000 0.899 140 S HN 0.474 nan 8.310 nan 0.000 0.542 141 Y N 2.785 123.111 120.300 0.043 0.000 2.062 141 Y HA -0.322 4.227 4.550 -0.000 0.000 0.276 141 Y C 2.101 178.010 175.900 0.014 0.000 1.189 141 Y CA 2.731 60.844 58.100 0.023 0.000 1.130 141 Y CB -0.529 37.935 38.460 0.006 0.000 0.959 141 Y HN 0.725 nan 8.280 nan 0.000 0.499 142 N N -0.240 118.546 118.700 0.143 0.000 2.216 142 N HA -0.081 4.659 4.740 -0.000 0.000 0.183 142 N C 2.028 177.524 175.510 -0.024 0.000 1.017 142 N CA 1.292 54.370 53.050 0.047 0.000 0.861 142 N CB -0.993 37.557 38.487 0.105 0.000 0.986 142 N HN 0.548 nan 8.380 nan 0.000 0.428 143 G N 1.725 110.521 108.800 -0.006 0.000 2.422 143 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.218 143 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.218 143 G C 1.662 176.531 174.900 -0.052 0.000 1.140 143 G CA 0.161 45.247 45.100 -0.023 0.000 0.775 143 G HN 0.198 nan 8.290 nan 0.000 0.545 144 L N 0.140 121.317 121.223 -0.077 0.000 2.064 144 L HA -0.200 4.140 4.340 -0.000 0.000 0.216 144 L C 2.936 179.757 176.870 -0.081 0.000 1.077 144 L CA 1.185 55.967 54.840 -0.098 0.000 0.766 144 L CB -0.446 41.530 42.059 -0.137 0.000 0.890 144 L HN 0.215 nan 8.230 nan 0.000 0.435 145 M N -0.606 118.940 119.600 -0.089 0.000 2.530 145 M HA -0.113 4.367 4.480 -0.000 0.000 0.261 145 M C 1.719 177.996 176.300 -0.039 0.000 1.067 145 M CA 1.279 56.536 55.300 -0.071 0.000 1.071 145 M CB -0.955 31.601 32.600 -0.074 0.000 1.405 145 M HN 0.297 nan 8.290 nan 0.000 0.478 146 S N -1.131 114.552 115.700 -0.028 0.000 2.593 146 S HA 0.415 4.885 4.470 -0.000 0.000 0.236 146 S C 1.640 176.250 174.600 0.018 0.000 0.991 146 S CA 0.180 58.376 58.200 -0.007 0.000 0.963 146 S CB 0.026 63.221 63.200 -0.007 0.000 0.865 146 S HN 0.395 nan 8.310 nan 0.000 0.488 147 A N 1.917 124.751 122.820 0.023 0.000 2.015 147 A HA 0.169 4.489 4.320 -0.000 0.000 0.219 147 A C 1.211 178.915 177.584 0.199 0.000 1.163 147 A CA 1.005 53.104 52.037 0.102 0.000 0.646 147 A CB -0.421 18.611 19.000 0.054 0.000 0.806 147 A HN 0.509 nan 8.150 nan 0.000 0.448 148 T N -3.715 110.898 114.554 0.099 0.000 2.906 148 T HA 0.628 4.978 4.350 -0.000 0.000 0.295 148 T C 0.661 175.370 174.700 0.015 0.000 1.075 148 T CA -0.136 61.997 62.100 0.055 0.000 1.005 148 T CB 1.877 70.758 68.868 0.021 0.000 1.136 148 T HN 0.302 nan 8.240 nan 0.000 0.498 149 A N 0.750 123.569 122.820 -0.001 0.000 2.132 149 A HA 0.212 4.532 4.320 -0.000 0.000 0.213 149 A C 0.716 178.282 177.584 -0.031 0.000 1.154 149 A CA -0.057 51.971 52.037 -0.015 0.000 0.753 149 A CB -0.725 18.267 19.000 -0.015 0.000 0.826 149 A HN 0.846 nan 8.150 nan 0.000 0.469 150 N N 0.474 119.151 118.700 -0.039 0.000 2.416 150 N HA 0.164 4.904 4.740 -0.000 0.000 0.265 150 N C 0.665 176.131 175.510 -0.073 0.000 1.195 150 N CA -0.396 52.619 53.050 -0.058 0.000 0.943 150 N CB 0.877 39.324 38.487 -0.067 0.000 1.115 150 N HN 0.254 nan 8.380 nan 0.000 0.481 151 I N 2.834 123.356 120.570 -0.079 0.000 2.454 151 I HA -0.212 3.958 4.170 -0.000 0.000 0.254 151 I C 1.072 177.107 176.117 -0.136 0.000 1.156 151 I CA 1.374 62.618 61.300 -0.093 0.000 1.433 151 I CB -0.090 37.859 38.000 -0.084 0.000 1.082 151 I HN 0.546 nan 8.210 nan 0.000 0.432 152 N N 0.458 119.062 118.700 -0.161 0.000 2.314 152 N HA 0.009 4.749 4.740 -0.000 0.000 0.200 152 N C 0.200 175.571 175.510 -0.232 0.000 1.135 152 N CA 0.386 53.292 53.050 -0.241 0.000 0.835 152 N CB 0.042 38.373 38.487 -0.260 0.000 0.989 152 N HN 0.413 nan 8.380 nan 0.000 0.478 153 D N 0.316 120.622 120.400 -0.156 0.000 2.479 153 D HA 0.077 4.717 4.640 -0.000 0.000 0.218 153 D C 0.088 176.334 176.300 -0.089 0.000 1.177 153 D CA 0.207 54.137 54.000 -0.118 0.000 0.830 153 D CB 0.883 41.637 40.800 -0.077 0.000 1.014 153 D HN 0.394 nan 8.370 nan 0.000 0.503 154 K N -0.063 120.273 120.400 -0.107 0.000 2.502 154 K HA 0.662 4.982 4.320 -0.000 0.000 0.257 154 K C -1.424 175.117 176.600 -0.098 0.000 0.938 154 K CA -0.893 55.343 56.287 -0.084 0.000 0.819 154 K CB 2.670 35.130 32.500 -0.066 0.000 1.333 154 K HN -0.178 nan 8.250 nan 0.000 0.434 155 I N 0.670 121.194 120.570 -0.077 0.000 2.656 155 I HA 0.527 4.697 4.170 -0.000 0.000 0.292 155 I C -1.220 174.868 176.117 -0.049 0.000 1.144 155 I CA -0.093 61.171 61.300 -0.061 0.000 1.038 155 I CB 2.463 40.436 38.000 -0.045 0.000 1.244 155 I HN 0.873 nan 8.210 nan 0.000 0.420 156 G N 4.226 113.006 108.800 -0.033 0.000 2.530 156 G HA2 0.424 4.384 3.960 -0.000 0.000 0.316 156 G HA3 0.424 4.384 3.960 -0.000 0.000 0.316 156 G C -0.515 174.401 174.900 0.026 0.000 1.298 156 G CA -0.460 44.623 45.100 -0.028 0.000 0.948 156 G HN 0.676 nan 8.290 nan 0.000 0.486 157 N N -0.196 118.545 118.700 0.069 0.000 2.738 157 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 157 N C 0.323 175.899 175.510 0.109 0.000 1.047 157 N CA 0.667 53.800 53.050 0.139 0.000 0.707 157 N CB -1.073 37.490 38.487 0.127 0.000 0.937 157 N HN 0.417 nan 8.380 nan 0.000 0.545 158 V N 1.134 121.112 119.914 0.106 0.000 2.614 158 V HA 0.105 4.225 4.120 -0.000 0.000 0.291 158 V C 1.460 177.618 176.094 0.108 0.000 1.049 158 V CA -0.508 61.850 62.300 0.097 0.000 1.038 158 V CB 0.996 32.876 31.823 0.095 0.000 0.980 158 V HN 0.172 nan 8.190 nan 0.000 0.481 159 L N 4.742 126.017 121.223 0.087 0.000 2.490 159 L HA 0.058 4.398 4.340 -0.000 0.000 0.274 159 L C 1.457 178.373 176.870 0.077 0.000 1.201 159 L CA -0.038 54.848 54.840 0.077 0.000 0.869 159 L CB 0.601 42.695 42.059 0.059 0.000 1.123 159 L HN 0.500 nan 8.230 nan 0.000 0.484 160 V N 3.417 123.375 119.914 0.074 0.000 2.490 160 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 160 V C 2.267 178.383 176.094 0.035 0.000 1.061 160 V CA 2.157 64.492 62.300 0.059 0.000 1.064 160 V CB -0.714 31.137 31.823 0.046 0.000 0.670 160 V HN 1.115 nan 8.190 nan 0.000 0.461 161 G N -0.686 108.134 108.800 0.033 0.000 2.422 161 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 161 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 161 G C 1.554 176.473 174.900 0.032 0.000 1.146 161 G CA 0.971 46.085 45.100 0.025 0.000 0.769 161 G HN 0.574 nan 8.290 nan 0.000 0.547 162 E N 0.114 120.340 120.200 0.043 0.000 2.051 162 E HA 0.270 4.620 4.350 -0.000 0.000 0.189 162 E C 1.347 177.981 176.600 0.056 0.000 0.979 162 E CA 0.793 57.224 56.400 0.051 0.000 0.803 162 E CB -0.117 29.619 29.700 0.060 0.000 0.761 162 E HN 0.473 nan 8.360 nan 0.000 0.451 163 G N -0.086 108.751 108.800 0.063 0.000 2.710 163 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.668 163 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.668 163 G C -0.955 173.994 174.900 0.081 0.000 1.320 163 G CA -0.312 44.827 45.100 0.065 0.000 0.860 163 G HN 0.288 nan 8.290 nan 0.000 0.538 164 V N 0.211 120.173 119.914 0.080 0.000 2.769 164 V HA 0.826 4.946 4.120 -0.000 0.000 0.312 164 V C 0.333 176.454 176.094 0.046 0.000 1.061 164 V CA -0.100 62.254 62.300 0.090 0.000 0.931 164 V CB 2.368 34.254 31.823 0.105 0.000 1.010 164 V HN 1.169 nan 8.190 nan 0.000 0.433 165 T N 3.651 118.228 114.554 0.037 0.000 2.792 165 T HA 0.526 4.876 4.350 -0.000 0.000 0.280 165 T C -0.590 174.076 174.700 -0.056 0.000 0.990 165 T CA -0.310 61.719 62.100 -0.118 0.000 0.960 165 T CB 1.464 70.088 68.868 -0.408 0.000 0.939 165 T HN 0.340 nan 8.240 nan 0.000 0.439 166 V N 4.732 124.555 119.914 -0.153 0.000 2.370 166 V HA 0.485 4.605 4.120 -0.000 0.000 0.279 166 V C -0.367 175.621 176.094 -0.176 0.000 1.029 166 V CA -0.747 61.473 62.300 -0.133 0.000 0.870 166 V CB 1.229 32.890 31.823 -0.271 0.000 0.984 166 V HN 0.650 nan 8.190 nan 0.000 0.451 167 L N 4.914 126.107 121.223 -0.050 0.000 2.333 167 L HA 0.591 4.931 4.340 -0.000 0.000 0.280 167 L C 0.230 177.090 176.870 -0.015 0.000 1.004 167 L CA 0.241 55.054 54.840 -0.046 0.000 0.820 167 L CB 2.045 44.163 42.059 0.098 0.000 1.247 167 L HN 0.631 nan 8.230 nan 0.000 0.416 168 S N 5.982 121.659 115.700 -0.039 0.000 2.448 168 S HA 0.536 5.006 4.470 -0.000 0.000 0.279 168 S C -0.410 174.190 174.600 0.001 0.000 1.195 168 S CA -0.519 57.671 58.200 -0.017 0.000 1.051 168 S CB -0.308 62.881 63.200 -0.020 0.000 0.948 168 S HN 0.605 nan 8.310 nan 0.000 0.493 169 L N 6.482 127.703 121.223 -0.003 0.000 2.331 169 L HA 0.570 4.910 4.340 -0.000 0.000 0.275 169 L C -1.755 175.089 176.870 -0.044 0.000 1.022 169 L CA -2.360 52.476 54.840 -0.007 0.000 0.812 169 L CB 1.511 43.561 42.059 -0.016 0.000 1.257 169 L HN 0.526 nan 8.230 nan 0.000 0.435 170 P HA 0.087 nan 4.420 nan 0.000 0.271 170 P C -0.578 176.577 177.300 -0.241 0.000 1.218 170 P CA -0.206 62.753 63.100 -0.234 0.000 0.780 170 P CB 0.682 32.046 31.700 -0.560 0.000 0.901 171 T N -2.108 112.294 114.554 -0.253 0.000 3.331 171 T HA 0.492 4.842 4.350 -0.000 0.000 0.381 171 T C -0.266 174.268 174.700 -0.277 0.000 1.656 171 T CA -0.681 61.288 62.100 -0.217 0.000 1.453 171 T CB -0.784 67.997 68.868 -0.146 0.000 1.066 171 T HN 0.625 nan 8.240 nan 0.000 0.655 172 S N 1.318 116.813 115.700 -0.342 0.000 2.912 172 S HA -0.102 4.368 4.470 -0.000 0.000 0.857 172 S C -0.776 173.567 174.600 -0.429 0.000 0.919 172 S CA -0.679 57.334 58.200 -0.311 0.000 1.424 172 S CB -1.028 62.039 63.200 -0.221 0.000 1.019 172 S HN 0.719 nan 8.310 nan 0.000 0.231 173 Y N 2.098 122.365 120.300 -0.055 0.000 2.645 173 Y HA 0.462 5.012 4.550 -0.000 0.000 0.341 173 Y C 1.328 177.190 175.900 -0.064 0.000 1.234 173 Y CA -0.251 57.814 58.100 -0.059 0.000 1.352 173 Y CB 0.428 38.854 38.460 -0.056 0.000 1.556 173 Y HN 0.772 nan 8.280 nan 0.000 0.607 174 D N 0.751 121.245 120.400 0.156 0.000 2.737 174 D HA -0.186 4.454 4.640 -0.000 0.000 0.233 174 D C -1.060 175.266 176.300 0.045 0.000 1.155 174 D CA 0.758 54.800 54.000 0.070 0.000 0.667 174 D CB -1.109 39.722 40.800 0.052 0.000 1.060 174 D HN 0.267 nan 8.370 nan 0.000 0.427 175 L N -0.120 121.125 121.223 0.037 0.000 2.417 175 L HA 0.407 4.747 4.340 -0.000 0.000 0.268 175 L C 1.827 178.776 176.870 0.131 0.000 1.158 175 L CA -0.140 54.710 54.840 0.017 0.000 0.819 175 L CB 0.849 42.861 42.059 -0.079 0.000 1.112 175 L HN 0.034 nan 8.230 nan 0.000 0.458 176 G N 0.540 109.486 108.800 0.243 0.000 2.606 176 G HA2 0.175 4.135 3.960 -0.000 0.000 0.252 176 G HA3 0.175 4.135 3.960 -0.000 0.000 0.252 176 G C -0.880 174.178 174.900 0.265 0.000 1.206 176 G CA -0.337 44.924 45.100 0.268 0.000 0.861 176 G HN 0.341 nan 8.290 nan 0.000 0.561 177 Y N -0.495 119.871 120.300 0.110 0.000 2.511 177 Y HA 0.234 4.784 4.550 -0.000 0.000 0.332 177 Y C 0.887 176.845 175.900 0.097 0.000 1.177 177 Y CA 0.213 58.376 58.100 0.104 0.000 1.422 177 Y CB 1.052 39.550 38.460 0.064 0.000 1.271 177 Y HN 0.148 nan 8.280 nan 0.000 0.550 178 V N 5.374 125.328 119.914 0.065 0.000 2.427 178 V HA 0.312 4.432 4.120 -0.000 0.000 0.286 178 V C 0.141 176.237 176.094 0.003 0.000 1.034 178 V CA -1.201 61.010 62.300 -0.149 0.000 0.893 178 V CB 1.360 32.861 31.823 -0.537 0.000 0.982 178 V HN 0.634 nan 8.190 nan 0.000 0.452 179 R N 3.868 124.329 120.500 -0.065 0.000 2.401 179 R HA 0.356 4.696 4.340 -0.000 0.000 0.299 179 R C -0.423 175.744 176.300 -0.222 0.000 1.064 179 R CA -0.309 55.602 56.100 -0.315 0.000 1.000 179 R CB 0.284 30.364 30.300 -0.367 0.000 0.973 179 R HN 0.622 nan 8.270 nan 0.000 0.438 180 L N 2.145 123.240 121.223 -0.213 0.000 2.479 180 L HA 0.235 4.575 4.340 -0.000 0.000 0.248 180 L C 1.497 178.310 176.870 -0.094 0.000 1.205 180 L CA -0.093 54.679 54.840 -0.113 0.000 0.817 180 L CB 0.549 42.567 42.059 -0.068 0.000 1.162 180 L HN 0.802 nan 8.230 nan 0.000 0.486 181 G N 0.218 108.998 108.800 -0.033 0.000 3.455 181 G HA2 0.039 3.999 3.960 -0.000 0.000 0.250 181 G HA3 0.039 3.999 3.960 -0.000 0.000 0.250 181 G C -0.055 174.824 174.900 -0.036 0.000 1.071 181 G CA -0.405 44.679 45.100 -0.027 0.000 1.812 181 G HN 0.709 nan 8.290 nan 0.000 0.643 182 D N 1.130 121.490 120.400 -0.067 0.000 2.382 182 D HA 0.133 4.773 4.640 -0.000 0.000 0.245 182 D C -2.470 173.801 176.300 -0.049 0.000 1.120 182 D CA -1.549 52.416 54.000 -0.058 0.000 0.890 182 D CB 1.874 42.625 40.800 -0.082 0.000 1.201 182 D HN 0.071 nan 8.370 nan 0.000 0.433 183 P HA 0.151 nan 4.420 nan 0.000 0.268 183 P C -0.443 176.837 177.300 -0.033 0.000 1.205 183 P CA -0.410 62.673 63.100 -0.028 0.000 0.771 183 P CB 0.829 32.516 31.700 -0.021 0.000 0.858 184 I N 5.071 125.624 120.570 -0.028 0.000 2.562 184 I HA 0.406 4.576 4.170 -0.000 0.000 0.301 184 I C -2.230 173.876 176.117 -0.020 0.000 1.003 184 I CA -3.101 58.183 61.300 -0.027 0.000 1.127 184 I CB 1.233 39.216 38.000 -0.028 0.000 1.304 184 I HN 0.209 nan 8.210 nan 0.000 0.446 185 P HA 0.438 nan 4.420 nan 0.000 0.267 185 P C -1.551 175.742 177.300 -0.011 0.000 1.209 185 P CA -0.156 62.935 63.100 -0.013 0.000 0.763 185 P CB 0.481 32.174 31.700 -0.012 0.000 0.816 186 A N 3.452 126.266 122.820 -0.010 0.000 2.566 186 A HA 0.691 5.011 4.320 -0.000 0.000 0.297 186 A C -0.798 176.782 177.584 -0.007 0.000 1.059 186 A CA -0.692 51.340 52.037 -0.008 0.000 0.691 186 A CB 0.971 19.965 19.000 -0.009 0.000 1.282 186 A HN 0.567 nan 8.150 nan 0.000 0.401 187 I N -0.534 120.033 120.570 -0.006 0.000 2.603 187 I HA 1.008 5.178 4.170 -0.000 0.000 0.300 187 I C 0.119 176.233 176.117 -0.004 0.000 1.017 187 I CA -0.870 60.427 61.300 -0.005 0.000 1.098 187 I CB 2.441 40.439 38.000 -0.004 0.000 1.279 187 I HN 0.976 nan 8.210 nan 0.000 0.437 188 G N 3.800 112.598 108.800 -0.003 0.000 2.673 188 G HA2 0.416 4.375 3.960 -0.000 0.000 0.292 188 G HA3 0.416 4.375 3.960 -0.000 0.000 0.292 188 G C -0.203 174.695 174.900 -0.002 0.000 1.450 188 G CA -0.879 44.219 45.100 -0.003 0.000 0.837 188 G HN 0.727 nan 8.290 nan 0.000 0.505 189 L N -0.350 120.871 121.223 -0.002 0.000 2.201 189 L HA 0.054 4.394 4.340 -0.000 0.000 0.212 189 L C 0.829 177.698 176.870 -0.001 0.000 1.105 189 L CA 0.700 55.539 54.840 -0.002 0.000 0.775 189 L CB 0.081 42.138 42.059 -0.002 0.000 0.913 189 L HN 0.381 nan 8.230 nan 0.000 0.440 190 D N -0.298 120.101 120.400 -0.001 0.000 2.295 190 D HA 0.116 4.756 4.640 -0.000 0.000 0.248 190 D C -1.532 174.768 176.300 -0.000 0.000 1.154 190 D CA -2.013 51.987 54.000 -0.001 0.000 0.857 190 D CB 1.757 42.556 40.800 -0.001 0.000 1.117 190 D HN -0.171 nan 8.370 nan 0.000 0.468 191 P HA -0.144 nan 4.420 nan 0.000 0.216 191 P C 0.481 177.782 177.300 0.002 0.000 1.154 191 P CA 1.344 64.444 63.100 0.001 0.000 0.865 191 P CB 0.264 31.966 31.700 0.002 0.000 0.789 192 K N -1.405 118.996 120.400 0.002 0.000 2.504 192 K HA 0.126 4.446 4.320 -0.000 0.000 0.199 192 K C 0.755 177.357 176.600 0.003 0.000 1.028 192 K CA -0.246 56.043 56.287 0.004 0.000 1.164 192 K CB -0.295 32.208 32.500 0.004 0.000 0.877 192 K HN 0.195 nan 8.250 nan 0.000 0.508 193 M N 1.952 121.552 119.600 0.001 0.000 2.219 193 M HA 0.085 4.565 4.480 -0.000 0.000 0.353 193 M C -1.063 175.237 176.300 -0.000 0.000 1.304 193 M CA 0.343 55.643 55.300 -0.000 0.000 1.115 193 M CB 0.698 33.297 32.600 -0.002 0.000 1.664 193 M HN -0.207 nan 8.290 nan 0.000 0.459 194 V N 4.649 124.563 119.914 -0.001 0.000 2.623 194 V HA 0.727 4.847 4.120 -0.000 0.000 0.304 194 V C -0.695 175.396 176.094 -0.004 0.000 1.054 194 V CA -0.836 61.463 62.300 -0.001 0.000 0.882 194 V CB 1.696 33.520 31.823 0.002 0.000 1.002 194 V HN 0.951 nan 8.190 nan 0.000 0.424 195 A N 3.432 126.247 122.820 -0.009 0.000 2.357 195 A HA 0.913 5.233 4.320 -0.000 0.000 0.295 195 A C -0.122 177.451 177.584 -0.020 0.000 1.121 195 A CA -0.281 51.748 52.037 -0.014 0.000 0.742 195 A CB 1.496 20.488 19.000 -0.014 0.000 1.181 195 A HN 0.946 nan 8.150 nan 0.000 0.454 196 T N -1.919 112.620 114.554 -0.025 0.000 2.907 196 T HA 0.610 4.960 4.350 -0.000 0.000 0.290 196 T C -0.641 174.029 174.700 -0.050 0.000 1.066 196 T CA -0.794 61.285 62.100 -0.034 0.000 1.012 196 T CB 1.464 70.316 68.868 -0.027 0.000 1.184 196 T HN 1.047 nan 8.240 nan 0.000 0.522 197 C N 2.298 121.559 119.300 -0.066 0.000 2.293 197 C HA 0.646 5.106 4.460 -0.000 0.000 0.323 197 C C -0.859 174.071 174.990 -0.100 0.000 1.240 197 C CA -0.478 58.489 59.018 -0.085 0.000 1.497 197 C CB -1.037 26.646 27.740 -0.095 0.000 2.171 197 C HN 0.882 nan 8.230 nan 0.000 0.465 198 D N 2.929 123.271 120.400 -0.097 0.000 2.277 198 D HA 0.308 4.948 4.640 -0.000 0.000 0.250 198 D C -0.056 176.196 176.300 -0.080 0.000 1.032 198 D CA 0.001 53.953 54.000 -0.080 0.000 0.947 198 D CB 1.574 42.333 40.800 -0.069 0.000 1.159 198 D HN 0.551 nan 8.370 nan 0.000 0.460 199 S N 0.051 115.713 115.700 -0.064 0.000 2.629 199 S HA 0.117 4.587 4.470 -0.000 0.000 0.302 199 S C 1.066 175.662 174.600 -0.006 0.000 1.244 199 S CA -0.110 58.046 58.200 -0.073 0.000 1.098 199 S CB 0.136 63.272 63.200 -0.106 0.000 0.858 199 S HN 0.523 nan 8.310 nan 0.000 0.502 200 S N 1.252 116.951 115.700 -0.002 0.000 3.019 200 S HA 0.120 4.590 4.470 -0.000 0.000 0.258 200 S C -0.364 174.281 174.600 0.075 0.000 1.082 200 S CA -0.534 57.695 58.200 0.049 0.000 0.836 200 S CB -0.447 62.749 63.200 -0.006 0.000 0.834 200 S HN 0.571 nan 8.310 nan 0.000 0.457 201 D N 3.449 123.886 120.400 0.061 0.000 2.571 201 D HA 0.242 4.882 4.640 -0.000 0.000 0.231 201 D C 0.112 176.484 176.300 0.119 0.000 1.133 201 D CA 0.620 54.676 54.000 0.093 0.000 0.862 201 D CB -0.055 40.814 40.800 0.115 0.000 1.179 201 D HN 0.176 nan 8.370 nan 0.000 0.474 202 R N -0.429 120.134 120.500 0.105 0.000 3.125 202 R HA -0.101 4.239 4.340 -0.000 0.000 0.258 202 R C -2.483 173.862 176.300 0.075 0.000 0.968 202 R CA -0.032 56.125 56.100 0.094 0.000 0.656 202 R CB -1.846 28.541 30.300 0.145 0.000 1.251 202 R HN 0.453 nan 8.270 nan 0.000 0.428 203 P HA 0.087 nan 4.420 nan 0.000 0.272 203 P C -0.279 177.007 177.300 -0.023 0.000 1.230 203 P CA -0.125 62.997 63.100 0.036 0.000 0.788 203 P CB 0.741 32.471 31.700 0.049 0.000 0.949 204 R N 1.166 121.628 120.500 -0.064 0.000 2.407 204 R HA 0.522 4.862 4.340 -0.000 0.000 0.303 204 R C -1.368 174.806 176.300 -0.209 0.000 0.981 204 R CA -0.736 55.268 56.100 -0.161 0.000 0.905 204 R CB 0.901 31.088 30.300 -0.188 0.000 1.099 204 R HN 0.259 nan 8.270 nan 0.000 0.459 205 V N 5.454 125.208 119.914 -0.267 0.000 2.487 205 V HA 0.365 4.485 4.120 -0.000 0.000 0.298 205 V C -1.207 174.711 176.094 -0.294 0.000 1.028 205 V CA -0.704 61.477 62.300 -0.200 0.000 0.860 205 V CB 1.471 33.234 31.823 -0.100 0.000 0.991 205 V HN 0.689 nan 8.190 nan 0.000 0.427 206 Y N 1.815 122.094 120.300 -0.035 0.000 2.342 206 Y HA 0.602 5.152 4.550 -0.000 0.000 0.334 206 Y C 0.755 176.616 175.900 -0.064 0.000 1.067 206 Y CA -0.518 57.558 58.100 -0.040 0.000 1.128 206 Y CB 2.045 40.487 38.460 -0.029 0.000 1.200 206 Y HN 0.497 nan 8.280 nan 0.000 0.464 207 T N 5.151 119.750 114.554 0.075 0.000 2.786 207 T HA 0.579 4.929 4.350 -0.000 0.000 0.283 207 T C -0.583 174.071 174.700 -0.077 0.000 0.992 207 T CA -0.522 61.566 62.100 -0.020 0.000 0.954 207 T CB 0.329 69.176 68.868 -0.036 0.000 0.934 207 T HN 0.378 nan 8.240 nan 0.000 0.440 208 I N 2.875 123.338 120.570 -0.177 0.000 2.411 208 I HA 0.247 4.417 4.170 -0.000 0.000 0.284 208 I C 0.242 176.149 176.117 -0.350 0.000 1.012 208 I CA -0.639 60.462 61.300 -0.331 0.000 1.119 208 I CB 1.726 39.368 38.000 -0.596 0.000 1.261 208 I HN 0.477 nan 8.210 nan 0.000 0.448 209 T N 5.775 120.172 114.554 -0.262 0.000 2.863 209 T HA 0.209 4.559 4.350 -0.000 0.000 0.299 209 T C 1.206 175.754 174.700 -0.253 0.000 0.973 209 T CA -0.238 61.736 62.100 -0.210 0.000 0.994 209 T CB 1.083 69.878 68.868 -0.123 0.000 0.961 209 T HN 0.752 nan 8.240 nan 0.000 0.552 210 A N 2.916 125.552 122.820 -0.307 0.000 2.014 210 A HA 0.562 4.882 4.320 -0.000 0.000 0.218 210 A C 1.212 178.762 177.584 -0.057 0.000 1.163 210 A CA 0.587 52.474 52.037 -0.251 0.000 0.652 210 A CB 0.106 19.032 19.000 -0.124 0.000 0.808 210 A HN 0.892 nan 8.150 nan 0.000 0.449 211 A N -0.858 121.937 122.820 -0.042 0.000 2.540 211 A HA 0.542 4.862 4.320 -0.000 0.000 0.297 211 A C -2.002 175.600 177.584 0.030 0.000 1.056 211 A CA -0.352 51.712 52.037 0.045 0.000 0.700 211 A CB 1.038 20.108 19.000 0.116 0.000 1.280 211 A HN 0.026 nan 8.150 nan 0.000 0.398 212 D N 2.169 122.613 120.400 0.073 0.000 2.375 212 D HA 0.430 5.070 4.640 -0.000 0.000 0.259 212 D C -0.782 175.570 176.300 0.086 0.000 1.235 212 D CA 0.252 54.283 54.000 0.051 0.000 0.924 212 D CB 0.464 41.281 40.800 0.029 0.000 1.143 212 D HN 0.471 nan 8.370 nan 0.000 0.529 213 D N 2.077 122.527 120.400 0.083 0.000 2.686 213 D HA -0.297 4.343 4.640 -0.000 0.000 0.235 213 D C -0.495 175.887 176.300 0.136 0.000 1.160 213 D CA 0.579 54.635 54.000 0.093 0.000 0.645 213 D CB -1.796 39.037 40.800 0.055 0.000 1.039 213 D HN 0.453 nan 8.370 nan 0.000 0.423 214 Y N 1.316 121.675 120.300 0.098 0.000 2.537 214 Y HA 0.136 4.686 4.550 -0.000 0.000 0.339 214 Y C 0.507 176.496 175.900 0.149 0.000 1.066 214 Y CA -0.099 58.076 58.100 0.125 0.000 1.357 214 Y CB 0.513 39.075 38.460 0.169 0.000 1.175 214 Y HN -0.017 nan 8.280 nan 0.000 0.525 215 Q N 7.356 126.766 119.800 -0.649 0.000 2.288 215 Q HA 0.159 4.499 4.340 -0.000 0.000 0.258 215 Q C -1.198 174.198 176.000 -1.007 0.000 0.957 215 Q CA -0.257 55.198 55.803 -0.580 0.000 0.919 215 Q CB 1.482 30.012 28.738 -0.348 0.000 1.185 215 Q HN 0.752 nan 8.270 nan 0.000 0.408 216 F N 1.193 120.601 119.950 -0.904 0.000 2.469 216 F HA 0.511 5.038 4.527 -0.000 0.000 0.332 216 F C -0.597 174.841 175.800 -0.604 0.000 1.103 216 F CA -0.519 56.929 58.000 -0.920 0.000 0.979 216 F CB 1.790 39.749 39.000 -1.735 0.000 1.137 216 F HN 0.373 nan 8.300 nan 0.000 0.463 217 S N 4.051 118.990 115.700 -1.267 0.000 2.603 217 S HA 0.672 5.142 4.470 -0.000 0.000 0.274 217 S C -1.461 172.593 174.600 -0.910 0.000 1.168 217 S CA -0.387 57.293 58.200 -0.867 0.000 0.963 217 S CB 1.235 64.166 63.200 -0.449 0.000 1.078 217 S HN 0.950 nan 8.310 nan 0.000 0.477 218 S N 2.782 118.097 115.700 -0.641 0.000 2.565 218 S HA 0.403 4.873 4.470 -0.000 0.000 0.274 218 S C -1.826 172.701 174.600 -0.122 0.000 1.144 218 S CA -0.617 57.362 58.200 -0.369 0.000 0.849 218 S CB 1.439 64.410 63.200 -0.382 0.000 1.103 218 S HN 0.747 nan 8.310 nan 0.000 0.455 219 Q N 1.580 121.349 119.800 -0.051 0.000 2.354 219 Q HA 0.206 4.546 4.340 -0.000 0.000 0.244 219 Q C -0.733 175.325 176.000 0.097 0.000 0.969 219 Q CA -0.215 55.605 55.803 0.028 0.000 0.885 219 Q CB 0.512 29.259 28.738 0.016 0.000 1.241 219 Q HN 0.721 nan 8.270 nan 0.000 0.461 220 Y N 1.804 122.121 120.300 0.029 0.000 2.788 220 Y HA -0.075 4.475 4.550 -0.000 0.000 0.341 220 Y C -0.490 175.437 175.900 0.045 0.000 1.258 220 Y CA 0.633 58.762 58.100 0.049 0.000 1.503 220 Y CB 0.469 38.954 38.460 0.041 0.000 1.325 220 Y HN 0.481 nan 8.280 nan 0.000 0.614 221 Q N 6.908 126.202 119.800 -0.844 0.000 2.268 221 Q HA 0.419 4.759 4.340 -0.000 0.000 0.266 221 Q C -2.966 172.461 176.000 -0.955 0.000 1.006 221 Q CA -2.540 52.790 55.803 -0.788 0.000 0.824 221 Q CB 2.051 30.625 28.738 -0.273 0.000 1.306 221 Q HN 0.414 nan 8.270 nan 0.000 0.424 222 P HA 0.151 nan 4.420 nan 0.000 0.263 222 P C 0.516 177.734 177.300 -0.137 0.000 1.195 222 P CA 1.337 64.280 63.100 -0.262 0.000 0.762 222 P CB 0.757 32.391 31.700 -0.111 0.000 0.799 223 G N 2.158 110.931 108.800 -0.044 0.000 2.268 223 G HA2 0.008 3.968 3.960 -0.000 0.000 0.240 223 G HA3 0.008 3.968 3.960 -0.000 0.000 0.240 223 G C 0.464 175.359 174.900 -0.007 0.000 1.010 223 G CA 0.235 45.325 45.100 -0.018 0.000 0.618 223 G HN 1.068 nan 8.290 nan 0.000 0.516 224 G N -2.285 106.496 108.800 -0.032 0.000 2.631 224 G HA2 0.320 4.280 3.960 -0.000 0.000 0.504 224 G HA3 0.320 4.280 3.960 -0.000 0.000 0.504 224 G C -0.589 174.330 174.900 0.032 0.000 1.306 224 G CA 0.083 45.196 45.100 0.023 0.000 0.897 224 G HN 1.548 nan 8.290 nan 0.000 0.520 225 V N 0.845 120.821 119.914 0.103 0.000 2.407 225 V HA 0.649 4.769 4.120 -0.000 0.000 0.291 225 V C 0.420 176.604 176.094 0.149 0.000 1.018 225 V CA -0.224 62.163 62.300 0.145 0.000 0.842 225 V CB 1.578 33.556 31.823 0.258 0.000 0.996 225 V HN 0.999 nan 8.190 nan 0.000 0.426 226 T N 6.878 121.499 114.554 0.112 0.000 2.799 226 T HA 0.726 5.076 4.350 -0.000 0.000 0.286 226 T C -0.180 174.595 174.700 0.126 0.000 0.973 226 T CA -0.083 62.076 62.100 0.097 0.000 1.035 226 T CB 0.878 69.785 68.868 0.064 0.000 0.932 226 T HN 0.649 nan 8.240 nan 0.000 0.469 227 I N -0.678 119.973 120.570 0.135 0.000 2.785 227 I HA 0.665 4.835 4.170 -0.000 0.000 0.302 227 I C -0.451 175.726 176.117 0.100 0.000 1.069 227 I CA -0.934 60.456 61.300 0.151 0.000 1.045 227 I CB 2.341 40.492 38.000 0.252 0.000 1.236 227 I HN 0.300 nan 8.210 nan 0.000 0.429 228 T N 4.965 119.557 114.554 0.063 0.000 2.832 228 T HA 0.242 4.592 4.350 -0.000 0.000 0.313 228 T C 0.730 175.438 174.700 0.013 0.000 1.035 228 T CA -0.271 61.834 62.100 0.010 0.000 0.950 228 T CB 1.063 69.913 68.868 -0.030 0.000 0.984 228 T HN 0.594 nan 8.240 nan 0.000 0.486 229 L N 4.523 125.760 121.223 0.023 0.000 2.046 229 L HA 0.241 4.581 4.340 -0.000 0.000 0.208 229 L C 0.211 177.151 176.870 0.116 0.000 1.077 229 L CA 1.755 56.638 54.840 0.070 0.000 0.747 229 L CB -0.278 41.893 42.059 0.187 0.000 0.896 229 L HN 0.710 nan 8.230 nan 0.000 0.432 230 F N -3.291 116.654 119.950 -0.008 0.000 2.713 230 F HA 0.651 5.178 4.527 -0.000 0.000 0.311 230 F C -0.723 175.070 175.800 -0.011 0.000 1.141 230 F CA -0.908 57.076 58.000 -0.028 0.000 0.939 230 F CB 0.731 39.704 39.000 -0.045 0.000 1.325 230 F HN -0.305 nan 8.300 nan 0.000 0.453 231 S N 1.157 116.978 115.700 0.202 0.000 2.548 231 S HA 0.896 5.365 4.470 -0.000 0.000 0.276 231 S C -1.525 173.199 174.600 0.206 0.000 1.129 231 S CA 0.090 58.349 58.200 0.097 0.000 0.931 231 S CB 1.270 64.471 63.200 0.002 0.000 1.068 231 S HN 1.685 nan 8.310 nan 0.000 0.480 232 A N 3.852 126.776 122.820 0.173 0.000 2.488 232 A HA 0.705 5.025 4.320 -0.000 0.000 0.298 232 A C -1.199 176.372 177.584 -0.023 0.000 1.044 232 A CA -0.887 51.197 52.037 0.079 0.000 0.693 232 A CB 1.067 20.112 19.000 0.076 0.000 1.272 232 A HN 0.714 nan 8.150 nan 0.000 0.402 233 N N 1.464 120.133 118.700 -0.052 0.000 2.442 233 N HA 0.528 5.268 4.740 -0.000 0.000 0.265 233 N C -0.217 175.160 175.510 -0.222 0.000 1.138 233 N CA 0.274 53.278 53.050 -0.078 0.000 0.956 233 N CB 0.516 38.992 38.487 -0.018 0.000 1.067 233 N HN 0.745 nan 8.380 nan 0.000 0.474 234 I N -2.163 118.252 120.570 -0.258 0.000 3.174 234 I HA 0.613 4.783 4.170 -0.000 0.000 0.313 234 I C -1.056 175.008 176.117 -0.089 0.000 1.155 234 I CA -0.965 60.036 61.300 -0.497 0.000 0.977 234 I CB 2.671 40.207 38.000 -0.773 0.000 1.248 234 I HN 0.027 nan 8.210 nan 0.000 0.453 235 D N 2.112 122.571 120.400 0.097 0.000 2.646 235 D HA 0.720 5.360 4.640 -0.000 0.000 0.245 235 D C -1.153 175.232 176.300 0.141 0.000 1.099 235 D CA -0.223 53.865 54.000 0.146 0.000 0.849 235 D CB 2.392 43.309 40.800 0.195 0.000 1.448 235 D HN 0.902 nan 8.370 nan 0.000 0.489 236 A N 1.997 124.865 122.820 0.081 0.000 2.517 236 A HA 0.528 4.848 4.320 -0.000 0.000 0.297 236 A C -0.196 177.391 177.584 0.006 0.000 1.050 236 A CA -0.518 51.552 52.037 0.056 0.000 0.694 236 A CB 0.925 19.957 19.000 0.054 0.000 1.277 236 A HN 0.553 nan 8.150 nan 0.000 0.400 237 I N 0.509 121.067 120.570 -0.020 0.000 4.124 237 I HA 0.119 4.289 4.170 -0.000 0.000 0.311 237 I C 1.261 177.368 176.117 -0.018 0.000 1.259 237 I CA 1.070 62.319 61.300 -0.086 0.000 1.315 237 I CB 0.664 38.515 38.000 -0.248 0.000 1.223 237 I HN 0.792 nan 8.210 nan 0.000 0.441 238 T N -1.456 113.125 114.554 0.046 0.000 2.762 238 T HA 0.409 4.759 4.350 -0.000 0.000 0.272 238 T C 0.320 175.071 174.700 0.085 0.000 0.982 238 T CA -0.492 61.654 62.100 0.076 0.000 1.013 238 T CB 1.162 70.105 68.868 0.125 0.000 1.309 238 T HN 0.125 nan 8.240 nan 0.000 0.572 239 S N 0.623 116.391 115.700 0.113 0.000 2.558 239 S HA 0.371 4.841 4.470 -0.000 0.000 0.291 239 S C 0.040 174.751 174.600 0.185 0.000 1.306 239 S CA -0.429 57.866 58.200 0.158 0.000 1.056 239 S CB -0.981 62.332 63.200 0.188 0.000 0.836 239 S HN 1.188 nan 8.310 nan 0.000 0.504 240 L N -0.500 120.794 121.223 0.118 0.000 2.491 240 L HA 0.950 5.290 4.340 -0.000 0.000 0.254 240 L C -0.657 176.220 176.870 0.011 0.000 1.048 240 L CA -1.005 53.804 54.840 -0.052 0.000 0.855 240 L CB 1.862 43.906 42.059 -0.024 0.000 1.466 240 L HN 0.855 nan 8.230 nan 0.000 0.409 241 S N -0.207 115.456 115.700 -0.061 0.000 2.569 241 S HA 0.887 5.357 4.470 -0.000 0.000 0.280 241 S C -1.084 173.542 174.600 0.044 0.000 1.111 241 S CA -0.686 57.544 58.200 0.049 0.000 0.887 241 S CB 1.977 65.252 63.200 0.125 0.000 1.095 241 S HN 0.664 nan 8.310 nan 0.000 0.476 242 V N 1.502 121.469 119.914 0.089 0.000 2.487 242 V HA 0.844 4.963 4.120 -0.000 0.000 0.298 242 V C 0.696 176.874 176.094 0.140 0.000 1.028 242 V CA 0.007 62.372 62.300 0.108 0.000 0.860 242 V CB 1.205 33.125 31.823 0.163 0.000 0.991 242 V HN 1.249 nan 8.190 nan 0.000 0.427 243 G N 1.792 110.648 108.800 0.093 0.000 2.714 243 G HA2 0.908 4.868 3.960 -0.000 0.000 0.292 243 G HA3 0.908 4.868 3.960 -0.000 0.000 0.292 243 G C -0.142 174.793 174.900 0.058 0.000 1.308 243 G CA -0.223 44.941 45.100 0.107 0.000 0.964 243 G HN 1.491 nan 8.290 nan 0.000 0.484 244 G N -1.150 107.701 108.800 0.086 0.000 2.422 244 G HA2 0.349 4.309 3.960 -0.000 0.000 0.607 244 G HA3 0.349 4.309 3.960 -0.000 0.000 0.607 244 G C -0.978 174.009 174.900 0.145 0.000 1.270 244 G CA 0.068 45.188 45.100 0.033 0.000 0.992 244 G HN 0.937 nan 8.290 nan 0.000 0.499 245 E N -1.163 119.089 120.200 0.087 0.000 2.354 245 E HA 0.550 4.900 4.350 -0.000 0.000 0.283 245 E C -0.957 175.701 176.600 0.096 0.000 0.938 245 E CA -0.767 55.745 56.400 0.186 0.000 0.777 245 E CB 1.571 31.338 29.700 0.112 0.000 1.222 245 E HN 0.604 nan 8.360 nan 0.000 0.423 246 L N 2.943 124.276 121.223 0.184 0.000 2.325 246 L HA 0.636 4.976 4.340 -0.000 0.000 0.278 246 L C -0.664 176.150 176.870 -0.092 0.000 1.023 246 L CA -1.113 53.711 54.840 -0.028 0.000 0.811 246 L CB 1.788 43.827 42.059 -0.034 0.000 1.249 246 L HN 0.298 nan 8.230 nan 0.000 0.431 247 V N 2.570 122.326 119.914 -0.262 0.000 2.448 247 V HA 0.445 4.565 4.120 -0.000 0.000 0.295 247 V C -0.697 175.198 176.094 -0.333 0.000 1.025 247 V CA -0.442 61.767 62.300 -0.152 0.000 0.859 247 V CB 1.628 33.416 31.823 -0.059 0.000 0.988 247 V HN 0.370 nan 8.190 nan 0.000 0.431 248 F N 4.329 124.266 119.950 -0.021 0.000 2.469 248 F HA 0.716 5.243 4.527 -0.000 0.000 0.332 248 F C 0.553 176.372 175.800 0.032 0.000 1.103 248 F CA -0.686 57.299 58.000 -0.025 0.000 0.979 248 F CB 1.695 40.581 39.000 -0.190 0.000 1.137 248 F HN 0.252 nan 8.300 nan 0.000 0.463 249 R N 1.148 121.805 120.500 0.262 0.000 2.803 249 R HA 0.758 5.098 4.340 -0.000 0.000 0.276 249 R C -0.833 175.607 176.300 0.233 0.000 0.978 249 R CA -0.807 55.407 56.100 0.189 0.000 0.939 249 R CB 2.158 32.536 30.300 0.130 0.000 1.179 249 R HN 0.693 nan 8.270 nan 0.000 0.472 250 T N -1.030 113.613 114.554 0.148 0.000 2.885 250 T HA 0.230 4.580 4.350 -0.000 0.000 0.322 250 T C 0.001 174.717 174.700 0.027 0.000 1.387 250 T CA -0.403 61.776 62.100 0.132 0.000 1.041 250 T CB 1.431 70.406 68.868 0.177 0.000 1.287 250 T HN 0.452 nan 8.240 nan 0.000 0.491 251 S N 0.939 116.643 115.700 0.008 0.000 2.511 251 S HA 0.243 4.713 4.470 -0.000 0.000 0.214 251 S C 0.407 174.923 174.600 -0.139 0.000 0.997 251 S CA -0.125 58.040 58.200 -0.059 0.000 0.908 251 S CB 0.363 63.553 63.200 -0.015 0.000 0.803 251 S HN 0.593 nan 8.310 nan 0.000 0.504 252 V N 3.812 123.678 119.914 -0.080 0.000 2.439 252 V HA 0.295 4.415 4.120 -0.000 0.000 0.282 252 V C 0.034 176.062 176.094 -0.109 0.000 1.039 252 V CA -0.824 61.444 62.300 -0.054 0.000 0.913 252 V CB 0.633 32.486 31.823 0.049 0.000 0.983 252 V HN 0.413 nan 8.190 nan 0.000 0.460 253 H N 2.831 121.926 119.070 0.042 0.000 2.562 253 H HA 0.344 4.900 4.556 -0.000 0.000 0.352 253 H C 1.265 176.608 175.328 0.024 0.000 1.125 253 H CA 0.827 56.893 56.048 0.030 0.000 1.379 253 H CB 1.382 31.153 29.762 0.016 0.000 1.464 253 H HN 1.015 nan 8.280 nan 0.000 0.563 254 G N 2.649 111.534 108.800 0.141 0.000 2.176 254 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.252 254 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.252 254 G C 0.076 175.011 174.900 0.058 0.000 1.024 254 G CA -0.154 44.993 45.100 0.079 0.000 0.755 254 G HN 0.461 nan 8.290 nan 0.000 0.507 255 L N -0.050 121.211 121.223 0.063 0.000 2.326 255 L HA 0.579 4.919 4.340 -0.000 0.000 0.278 255 L C 0.466 177.343 176.870 0.012 0.000 1.092 255 L CA -0.824 54.057 54.840 0.067 0.000 0.810 255 L CB 1.576 43.705 42.059 0.116 0.000 1.153 255 L HN -0.042 nan 8.230 nan 0.000 0.439 256 V N 4.951 124.868 119.914 0.005 0.000 2.487 256 V HA 0.430 4.550 4.120 -0.000 0.000 0.298 256 V C 0.015 176.050 176.094 -0.097 0.000 1.028 256 V CA -0.486 61.786 62.300 -0.047 0.000 0.860 256 V CB 2.129 33.941 31.823 -0.018 0.000 0.991 256 V HN 0.516 nan 8.190 nan 0.000 0.427 257 L N 3.947 125.051 121.223 -0.198 0.000 2.317 257 L HA 0.809 5.149 4.340 -0.000 0.000 0.281 257 L C 0.584 177.318 176.870 -0.227 0.000 1.024 257 L CA -0.322 54.340 54.840 -0.295 0.000 0.810 257 L CB 1.925 43.626 42.059 -0.596 0.000 1.240 257 L HN 0.775 nan 8.230 nan 0.000 0.427 258 G N 1.736 110.427 108.800 -0.181 0.000 2.452 258 G HA2 0.770 4.730 3.960 -0.000 0.000 0.324 258 G HA3 0.770 4.730 3.960 -0.000 0.000 0.324 258 G C -1.392 173.423 174.900 -0.141 0.000 1.214 258 G CA -0.390 44.627 45.100 -0.139 0.000 0.947 258 G HN 0.735 nan 8.290 nan 0.000 0.478 259 A N 1.147 123.885 122.820 -0.136 0.000 2.488 259 A HA 0.868 5.188 4.320 -0.000 0.000 0.298 259 A C -0.456 177.052 177.584 -0.127 0.000 1.044 259 A CA -0.572 51.402 52.037 -0.104 0.000 0.693 259 A CB 1.863 20.803 19.000 -0.100 0.000 1.272 259 A HN 0.788 nan 8.150 nan 0.000 0.402 260 T N 2.423 116.910 114.554 -0.112 0.000 2.886 260 T HA 0.553 4.903 4.350 -0.000 0.000 0.292 260 T C -0.587 173.950 174.700 -0.272 0.000 1.012 260 T CA -0.235 61.714 62.100 -0.253 0.000 0.982 260 T CB 1.127 69.766 68.868 -0.381 0.000 1.018 260 T HN 0.509 nan 8.240 nan 0.000 0.451 261 I N 3.002 123.397 120.570 -0.292 0.000 2.359 261 I HA 0.405 4.574 4.170 -0.000 0.000 0.294 261 I C -1.075 174.834 176.117 -0.347 0.000 0.987 261 I CA -0.793 60.400 61.300 -0.180 0.000 1.225 261 I CB 1.089 39.102 38.000 0.020 0.000 1.366 261 I HN 0.631 nan 8.210 nan 0.000 0.466 262 Y N 6.240 126.517 120.300 -0.039 0.000 2.364 262 Y HA 0.493 5.043 4.550 -0.000 0.000 0.340 262 Y C -0.299 175.581 175.900 -0.033 0.000 0.975 262 Y CA -0.726 57.352 58.100 -0.036 0.000 1.089 262 Y CB 1.550 39.980 38.460 -0.050 0.000 1.192 262 Y HN 0.296 nan 8.280 nan 0.000 0.454 263 L N 5.265 126.557 121.223 0.115 0.000 2.272 263 L HA 0.463 4.803 4.340 -0.000 0.000 0.289 263 L C -0.815 176.092 176.870 0.061 0.000 1.032 263 L CA -0.587 54.293 54.840 0.066 0.000 0.810 263 L CB 0.718 42.801 42.059 0.039 0.000 1.205 263 L HN 0.478 nan 8.230 nan 0.000 0.422 264 I N 2.398 122.991 120.570 0.039 0.000 2.392 264 I HA 0.404 4.574 4.170 -0.000 0.000 0.295 264 I C 0.901 177.029 176.117 0.019 0.000 0.985 264 I CA -0.223 61.089 61.300 0.020 0.000 1.221 264 I CB 1.423 39.418 38.000 -0.008 0.000 1.366 264 I HN 0.555 nan 8.210 nan 0.000 0.467 265 G N 3.297 112.109 108.800 0.020 0.000 2.562 265 G HA2 0.179 4.139 3.960 -0.000 0.000 0.275 265 G HA3 0.179 4.139 3.960 -0.000 0.000 0.275 265 G C 0.453 175.400 174.900 0.079 0.000 1.196 265 G CA -0.342 44.789 45.100 0.051 0.000 0.908 265 G HN 0.592 nan 8.290 nan 0.000 0.524 266 F N 0.688 120.619 119.950 -0.031 0.000 2.192 266 F HA -0.167 4.360 4.527 -0.000 0.000 0.301 266 F C 2.163 177.877 175.800 -0.144 0.000 1.079 266 F CA 2.046 59.956 58.000 -0.151 0.000 1.303 266 F CB 0.241 39.028 39.000 -0.355 0.000 1.024 266 F HN 0.438 nan 8.300 nan 0.000 0.494 267 D N -1.048 119.344 120.400 -0.014 0.000 2.325 267 D HA 0.155 4.795 4.640 -0.000 0.000 0.225 267 D C 1.779 178.052 176.300 -0.046 0.000 1.096 267 D CA 0.677 54.664 54.000 -0.022 0.000 0.844 267 D CB -0.586 40.366 40.800 0.253 0.000 0.925 267 D HN 0.399 nan 8.370 nan 0.000 0.513 268 G N -0.609 108.142 108.800 -0.082 0.000 2.179 268 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.260 268 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.260 268 G C 0.472 175.350 174.900 -0.037 0.000 0.977 268 G CA 0.489 45.546 45.100 -0.073 0.000 0.641 268 G HN 0.511 nan 8.290 nan 0.000 0.533 269 T N 1.689 116.243 114.554 -0.001 0.000 2.910 269 T HA 0.505 4.855 4.350 -0.000 0.000 0.293 269 T C 0.710 175.416 174.700 0.010 0.000 1.015 269 T CA 0.625 62.732 62.100 0.013 0.000 1.094 269 T CB 0.839 69.737 68.868 0.051 0.000 0.968 269 T HN 0.196 nan 8.240 nan 0.000 0.521 270 T N 3.622 118.185 114.554 0.014 0.000 2.769 270 T HA 0.149 4.499 4.350 -0.000 0.000 0.293 270 T C 1.463 176.190 174.700 0.045 0.000 0.931 270 T CA -0.472 61.656 62.100 0.047 0.000 1.139 270 T CB 0.694 69.615 68.868 0.087 0.000 0.881 270 T HN 0.363 nan 8.240 nan 0.000 0.532 271 V N 4.112 124.048 119.914 0.036 0.000 2.492 271 V HA 0.269 4.388 4.120 -0.000 0.000 0.241 271 V C 0.710 176.818 176.094 0.024 0.000 1.041 271 V CA 0.914 63.219 62.300 0.010 0.000 1.057 271 V CB -0.028 31.785 31.823 -0.017 0.000 0.711 271 V HN 0.723 nan 8.190 nan 0.000 0.468 272 I N -0.374 120.220 120.570 0.040 0.000 2.619 272 I HA 0.433 4.603 4.170 -0.000 0.000 0.292 272 I C -0.581 175.552 176.117 0.027 0.000 1.100 272 I CA -0.062 61.254 61.300 0.026 0.000 1.043 272 I CB 2.439 40.447 38.000 0.013 0.000 1.239 272 I HN 0.047 nan 8.210 nan 0.000 0.420 273 T N 5.695 120.238 114.554 -0.018 0.000 2.840 273 T HA 0.577 4.926 4.350 -0.000 0.000 0.287 273 T C -1.005 173.593 174.700 -0.169 0.000 0.991 273 T CA -0.667 61.350 62.100 -0.139 0.000 0.964 273 T CB 0.692 69.522 68.868 -0.064 0.000 0.954 273 T HN 0.418 nan 8.240 nan 0.000 0.438 274 R N 3.321 123.679 120.500 -0.237 0.000 2.483 274 R HA 0.598 4.938 4.340 -0.000 0.000 0.303 274 R C -0.284 175.891 176.300 -0.208 0.000 0.987 274 R CA -0.687 55.312 56.100 -0.168 0.000 0.881 274 R CB 1.539 31.780 30.300 -0.098 0.000 1.177 274 R HN 0.848 nan 8.270 nan 0.000 0.451 275 A N 2.786 125.500 122.820 -0.176 0.000 2.491 275 A HA 0.189 4.509 4.320 -0.000 0.000 0.261 275 A C 1.084 178.562 177.584 -0.176 0.000 1.101 275 A CA -0.184 51.750 52.037 -0.171 0.000 0.772 275 A CB 0.368 19.291 19.000 -0.129 0.000 1.043 275 A HN 0.525 nan 8.150 nan 0.000 0.501 276 V N 1.991 121.771 119.914 -0.223 0.000 2.949 276 V HA 0.352 4.472 4.120 -0.000 0.000 0.245 276 V C 1.107 177.015 176.094 -0.310 0.000 1.086 276 V CA 1.699 63.804 62.300 -0.325 0.000 1.097 276 V CB -0.133 31.369 31.823 -0.536 0.000 0.762 276 V HN 1.191 nan 8.190 nan 0.000 0.470 277 A N -0.270 122.404 122.820 -0.243 0.000 2.485 277 A HA 0.819 5.139 4.320 -0.000 0.000 0.285 277 A C -0.715 176.772 177.584 -0.161 0.000 1.045 277 A CA 0.210 52.128 52.037 -0.198 0.000 0.792 277 A CB 1.050 19.920 19.000 -0.217 0.000 1.307 277 A HN 0.412 nan 8.150 nan 0.000 0.406 278 A N 2.267 125.012 122.820 -0.126 0.000 2.337 278 A HA 0.790 5.110 4.320 -0.000 0.000 0.331 278 A C 0.342 177.871 177.584 -0.091 0.000 1.137 278 A CA -0.119 51.857 52.037 -0.101 0.000 0.807 278 A CB 0.318 19.271 19.000 -0.080 0.000 1.250 278 A HN 2.300 nan 8.150 nan 0.000 0.468 279 N N 1.011 119.664 118.700 -0.079 0.000 2.558 279 N HA -0.225 4.515 4.740 -0.000 0.000 0.302 279 N C -0.902 174.561 175.510 -0.079 0.000 1.322 279 N CA 1.034 54.044 53.050 -0.067 0.000 0.687 279 N CB -0.376 38.085 38.487 -0.044 0.000 0.992 279 N HN 0.775 nan 8.380 nan 0.000 0.524 280 N N 2.521 121.161 118.700 -0.100 0.000 2.621 280 N HA 0.309 5.049 4.740 -0.000 0.000 0.271 280 N C -0.374 175.068 175.510 -0.114 0.000 1.181 280 N CA 0.146 53.128 53.050 -0.114 0.000 0.805 280 N CB 1.015 39.406 38.487 -0.160 0.000 1.351 280 N HN 0.581 nan 8.380 nan 0.000 0.539 281 G N 2.364 111.122 108.800 -0.071 0.000 2.398 281 G HA2 0.365 4.325 3.960 -0.000 0.000 0.246 281 G HA3 0.365 4.325 3.960 -0.000 0.000 0.246 281 G C -0.021 174.847 174.900 -0.054 0.000 1.289 281 G CA -0.116 44.955 45.100 -0.049 0.000 0.869 281 G HN 0.541 nan 8.290 nan 0.000 0.543 282 L N 1.909 123.106 121.223 -0.044 0.000 2.295 282 L HA 0.348 4.688 4.340 -0.000 0.000 0.285 282 L C 0.433 177.308 176.870 0.009 0.000 1.035 282 L CA -0.701 54.121 54.840 -0.029 0.000 0.806 282 L CB 1.733 43.768 42.059 -0.039 0.000 1.214 282 L HN 0.393 nan 8.230 nan 0.000 0.426 283 T N 0.684 115.249 114.554 0.018 0.000 2.882 283 T HA 0.220 4.570 4.350 -0.000 0.000 0.287 283 T C 0.326 175.033 174.700 0.013 0.000 0.992 283 T CA -0.459 61.659 62.100 0.030 0.000 1.076 283 T CB 1.262 70.152 68.868 0.036 0.000 0.961 283 T HN 0.483 nan 8.240 nan 0.000 0.490 284 T N 2.276 116.820 114.554 -0.017 0.000 2.919 284 T HA 0.420 4.770 4.350 -0.000 0.000 0.302 284 T C 1.440 176.138 174.700 -0.005 0.000 1.031 284 T CA 0.691 62.746 62.100 -0.075 0.000 1.127 284 T CB 0.447 69.171 68.868 -0.241 0.000 0.952 284 T HN 1.006 nan 8.240 nan 0.000 0.540 285 G N 2.837 111.638 108.800 0.002 0.000 2.203 285 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.263 285 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.263 285 G C 0.201 175.119 174.900 0.030 0.000 1.012 285 G CA 0.382 45.494 45.100 0.021 0.000 0.749 285 G HN 0.913 nan 8.290 nan 0.000 0.512 286 T N -0.219 114.356 114.554 0.036 0.000 2.883 286 T HA 0.489 4.839 4.350 -0.000 0.000 0.301 286 T C -0.887 173.843 174.700 0.050 0.000 1.158 286 T CA -0.845 61.278 62.100 0.039 0.000 1.007 286 T CB 1.874 70.764 68.868 0.036 0.000 1.186 286 T HN 0.073 nan 8.240 nan 0.000 0.499 287 D N 2.217 122.645 120.400 0.047 0.000 2.425 287 D HA 0.173 4.813 4.640 -0.000 0.000 0.247 287 D C -0.315 176.023 176.300 0.064 0.000 1.147 287 D CA 0.308 54.340 54.000 0.055 0.000 0.879 287 D CB 0.349 41.173 40.800 0.040 0.000 1.179 287 D HN 0.379 nan 8.370 nan 0.000 0.456 288 N N 1.700 120.457 118.700 0.096 0.000 2.476 288 N HA 0.280 5.020 4.740 -0.000 0.000 0.257 288 N C -0.595 174.999 175.510 0.140 0.000 0.970 288 N CA -0.477 52.632 53.050 0.099 0.000 0.938 288 N CB 1.282 39.825 38.487 0.093 0.000 1.144 288 N HN 0.163 nan 8.380 nan 0.000 0.500 289 L N 1.732 123.010 121.223 0.091 0.000 2.326 289 L HA 0.458 4.798 4.340 -0.000 0.000 0.278 289 L C 0.106 177.038 176.870 0.104 0.000 1.092 289 L CA -0.168 54.729 54.840 0.095 0.000 0.810 289 L CB 0.902 42.996 42.059 0.058 0.000 1.153 289 L HN 0.465 nan 8.230 nan 0.000 0.439 290 M N 5.615 125.306 119.600 0.153 0.000 1.987 290 M HA 0.397 4.877 4.480 -0.000 0.000 0.298 290 M C -2.616 173.756 176.300 0.120 0.000 0.892 290 M CA -1.609 53.757 55.300 0.110 0.000 0.885 290 M CB 1.596 34.334 32.600 0.230 0.000 1.469 290 M HN 0.198 nan 8.290 nan 0.000 0.389 291 P HA 0.323 nan 4.420 nan 0.000 0.276 291 P C -1.354 175.953 177.300 0.012 0.000 1.244 291 P CA -0.039 63.126 63.100 0.108 0.000 0.801 291 P CB 0.506 32.234 31.700 0.047 0.000 1.006 292 F N 1.323 121.287 119.950 0.024 0.000 2.427 292 F HA 0.370 4.897 4.527 -0.000 0.000 0.348 292 F C 0.776 176.589 175.800 0.021 0.000 1.125 292 F CA -0.140 57.875 58.000 0.024 0.000 0.989 292 F CB 0.971 39.994 39.000 0.037 0.000 1.165 292 F HN 0.127 nan 8.300 nan 0.000 0.442 293 N N 5.350 124.110 118.700 0.100 0.000 2.679 293 N HA 0.248 4.988 4.740 -0.000 0.000 0.302 293 N C -1.120 174.427 175.510 0.062 0.000 1.941 293 N CA -0.052 53.043 53.050 0.075 0.000 0.875 293 N CB 1.121 39.628 38.487 0.033 0.000 1.278 293 N HN 0.436 nan 8.380 nan 0.000 0.490 294 L N 0.919 122.200 121.223 0.096 0.000 2.289 294 L HA 0.543 4.883 4.340 -0.000 0.000 0.285 294 L C -0.040 176.878 176.870 0.080 0.000 1.049 294 L CA -0.790 54.094 54.840 0.074 0.000 0.804 294 L CB 1.748 43.863 42.059 0.093 0.000 1.195 294 L HN -0.205 nan 8.230 nan 0.000 0.428 295 V N 4.814 124.767 119.914 0.065 0.000 2.444 295 V HA 0.395 4.515 4.120 -0.000 0.000 0.294 295 V C -0.259 175.874 176.094 0.064 0.000 1.022 295 V CA -0.378 61.971 62.300 0.081 0.000 0.850 295 V CB 2.120 33.989 31.823 0.076 0.000 0.992 295 V HN 0.461 nan 8.190 nan 0.000 0.426 296 I N 8.515 129.130 120.570 0.075 0.000 2.328 296 I HA 0.424 4.594 4.170 -0.000 0.000 0.287 296 I C -2.130 174.028 176.117 0.067 0.000 1.012 296 I CA -1.873 59.461 61.300 0.057 0.000 1.195 296 I CB 1.966 39.994 38.000 0.047 0.000 1.350 296 I HN 0.439 nan 8.210 nan 0.000 0.464 297 P HA 0.141 nan 4.420 nan 0.000 0.274 297 P C 0.639 177.964 177.300 0.042 0.000 1.231 297 P CA -0.233 62.894 63.100 0.045 0.000 0.790 297 P CB 0.811 32.528 31.700 0.028 0.000 0.951 298 T N 1.059 115.640 114.554 0.044 0.000 2.653 298 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 298 T C 1.610 176.325 174.700 0.025 0.000 1.035 298 T CA 2.122 64.246 62.100 0.039 0.000 1.154 298 T CB -0.920 67.973 68.868 0.043 0.000 0.862 298 T HN 0.646 nan 8.240 nan 0.000 0.441 299 N N 1.374 120.088 118.700 0.023 0.000 2.443 299 N HA -0.154 4.586 4.740 -0.000 0.000 0.184 299 N C 1.392 176.912 175.510 0.017 0.000 1.037 299 N CA 1.007 54.069 53.050 0.020 0.000 0.896 299 N CB -0.214 38.284 38.487 0.019 0.000 0.959 299 N HN 0.511 nan 8.380 nan 0.000 0.442 300 E N 0.192 120.401 120.200 0.016 0.000 2.371 300 E HA 0.153 4.503 4.350 -0.000 0.000 0.194 300 E C 0.172 176.774 176.600 0.003 0.000 1.012 300 E CA 0.092 56.499 56.400 0.012 0.000 0.860 300 E CB 0.207 29.915 29.700 0.013 0.000 0.811 300 E HN 0.440 nan 8.360 nan 0.000 0.502 301 I N 2.356 122.925 120.570 -0.001 0.000 2.260 301 I HA -0.024 4.146 4.170 -0.000 0.000 0.297 301 I C 1.401 177.491 176.117 -0.045 0.000 1.143 301 I CA -0.058 61.230 61.300 -0.021 0.000 1.271 301 I CB 0.716 38.708 38.000 -0.013 0.000 1.461 301 I HN 0.035 nan 8.210 nan 0.000 0.530 302 T N 1.609 116.123 114.554 -0.067 0.000 3.055 302 T HA -0.005 4.345 4.350 -0.000 0.000 0.265 302 T C 0.524 175.066 174.700 -0.262 0.000 1.111 302 T CA 0.299 62.350 62.100 -0.082 0.000 1.118 302 T CB -0.075 68.772 68.868 -0.036 0.000 0.909 302 T HN 0.693 nan 8.240 nan 0.000 0.501 303 Q N -0.579 119.005 119.800 -0.360 0.000 2.522 303 Q HA 0.550 4.890 4.340 -0.000 0.000 0.285 303 Q C -3.481 172.393 176.000 -0.210 0.000 0.982 303 Q CA -2.565 52.897 55.803 -0.569 0.000 0.805 303 Q CB 0.813 28.739 28.738 -1.354 0.000 1.457 303 Q HN -0.120 nan 8.270 nan 0.000 0.394 304 P HA -0.019 nan 4.420 nan 0.000 0.261 304 P C -0.594 176.737 177.300 0.051 0.000 1.173 304 P CA 0.217 63.342 63.100 0.041 0.000 0.760 304 P CB 0.252 32.067 31.700 0.191 0.000 0.783 305 I N 3.140 123.732 120.570 0.036 0.000 2.441 305 I HA 0.075 4.245 4.170 -0.000 0.000 0.287 305 I C 1.528 177.684 176.117 0.065 0.000 1.049 305 I CA 0.670 61.994 61.300 0.040 0.000 1.381 305 I CB 0.410 38.425 38.000 0.025 0.000 1.409 305 I HN 0.349 nan 8.210 nan 0.000 0.523 306 T N 3.295 117.887 114.554 0.063 0.000 2.955 306 T HA 0.130 4.480 4.350 -0.000 0.000 0.251 306 T C 0.444 175.152 174.700 0.014 0.000 1.002 306 T CA 0.288 62.431 62.100 0.072 0.000 0.970 306 T CB 0.359 69.305 68.868 0.131 0.000 1.091 306 T HN 0.806 nan 8.240 nan 0.000 0.495 307 S N 0.104 115.802 115.700 -0.004 0.000 2.588 307 S HA 0.719 5.189 4.470 -0.000 0.000 0.269 307 S C -1.488 173.105 174.600 -0.012 0.000 1.157 307 S CA -0.944 57.240 58.200 -0.026 0.000 0.824 307 S CB 1.840 65.027 63.200 -0.022 0.000 1.126 307 S HN 0.272 nan 8.310 nan 0.000 0.464 308 I N 1.220 121.788 120.570 -0.003 0.000 2.545 308 I HA 0.713 4.883 4.170 -0.000 0.000 0.292 308 I C -1.334 174.772 176.117 -0.017 0.000 1.040 308 I CA -0.699 60.615 61.300 0.023 0.000 1.068 308 I CB 1.742 39.776 38.000 0.057 0.000 1.251 308 I HN 1.017 nan 8.210 nan 0.000 0.424 309 K N 6.357 126.710 120.400 -0.079 0.000 2.477 309 K HA 0.657 4.977 4.320 -0.000 0.000 0.255 309 K C -2.032 174.393 176.600 -0.292 0.000 0.952 309 K CA -0.967 55.150 56.287 -0.284 0.000 0.826 309 K CB 2.436 34.840 32.500 -0.159 0.000 1.331 309 K HN 0.468 nan 8.250 nan 0.000 0.437 310 L N 1.113 121.981 121.223 -0.592 0.000 2.349 310 L HA 0.437 4.777 4.340 -0.000 0.000 0.278 310 L C -1.183 175.622 176.870 -0.108 0.000 0.996 310 L CA -0.001 54.661 54.840 -0.296 0.000 0.825 310 L CB 1.766 43.607 42.059 -0.364 0.000 1.243 310 L HN 0.777 nan 8.230 nan 0.000 0.412 311 E N 5.140 125.380 120.200 0.066 0.000 2.214 311 E HA 0.573 4.923 4.350 -0.000 0.000 0.274 311 E C -1.139 175.507 176.600 0.076 0.000 0.977 311 E CA -0.614 55.846 56.400 0.100 0.000 0.827 311 E CB 2.329 32.154 29.700 0.209 0.000 1.130 311 E HN 0.541 nan 8.360 nan 0.000 0.394 312 I N 2.258 122.874 120.570 0.077 0.000 2.466 312 I HA 0.260 4.429 4.170 -0.000 0.000 0.289 312 I C -0.787 175.343 176.117 0.021 0.000 1.026 312 I CA -1.005 60.313 61.300 0.029 0.000 1.078 312 I CB 1.908 39.938 38.000 0.050 0.000 1.249 312 I HN 0.171 nan 8.210 nan 0.000 0.429 313 V N 4.212 124.113 119.914 -0.022 0.000 2.427 313 V HA 0.490 4.610 4.120 -0.000 0.000 0.286 313 V C 0.025 176.105 176.094 -0.023 0.000 1.034 313 V CA -0.402 61.898 62.300 -0.000 0.000 0.893 313 V CB 1.479 33.304 31.823 0.003 0.000 0.982 313 V HN 0.731 nan 8.190 nan 0.000 0.452 314 T N 3.691 118.270 114.554 0.042 0.000 2.809 314 T HA 0.656 5.006 4.350 -0.000 0.000 0.284 314 T C -0.132 174.656 174.700 0.148 0.000 0.992 314 T CA -0.518 61.641 62.100 0.098 0.000 0.957 314 T CB 1.393 70.382 68.868 0.201 0.000 0.942 314 T HN 0.931 nan 8.240 nan 0.000 0.439 315 S N 2.627 118.405 115.700 0.131 0.000 2.627 315 S HA 0.784 5.254 4.470 -0.000 0.000 0.283 315 S C -1.211 173.497 174.600 0.180 0.000 1.127 315 S CA -1.128 57.180 58.200 0.181 0.000 0.863 315 S CB 2.345 65.626 63.200 0.134 0.000 1.121 315 S HN 0.558 nan 8.310 nan 0.000 0.479 316 K N 0.154 120.693 120.400 0.231 0.000 2.316 316 K HA 0.566 4.886 4.320 -0.000 0.000 0.251 316 K C 0.652 177.274 176.600 0.037 0.000 0.934 316 K CA -0.660 55.684 56.287 0.095 0.000 0.802 316 K CB 1.841 34.344 32.500 0.004 0.000 1.171 316 K HN 0.640 nan 8.250 nan 0.000 0.426 317 S N 1.225 116.930 115.700 0.007 0.000 2.354 317 S HA -0.163 4.307 4.470 -0.000 0.000 0.219 317 S C 1.522 176.093 174.600 -0.049 0.000 1.035 317 S CA 1.612 59.810 58.200 -0.004 0.000 1.037 317 S CB -0.351 62.848 63.200 -0.001 0.000 0.956 317 S HN 0.889 nan 8.310 nan 0.000 0.428 318 G N 0.536 109.278 108.800 -0.097 0.000 2.707 318 G HA2 0.378 4.338 3.960 -0.000 0.000 0.204 318 G HA3 0.378 4.338 3.960 -0.000 0.000 0.204 318 G C 0.580 175.301 174.900 -0.297 0.000 1.435 318 G CA 0.424 45.439 45.100 -0.141 0.000 0.890 318 G HN 1.292 nan 8.290 nan 0.000 0.552 319 G N -2.374 106.124 108.800 -0.504 0.000 2.788 319 G HA2 0.291 4.251 3.960 -0.000 0.000 0.686 319 G HA3 0.291 4.251 3.960 -0.000 0.000 0.686 319 G C -0.754 173.851 174.900 -0.491 0.000 1.147 319 G CA 0.169 44.588 45.100 -1.135 0.000 0.755 319 G HN 0.717 nan 8.290 nan 0.000 0.634 320 Q N -0.491 119.138 119.800 -0.286 0.000 2.870 320 Q HA 0.795 5.135 4.340 -0.000 0.000 0.366 320 Q C 1.501 177.622 176.000 0.202 0.000 0.738 320 Q CA 0.056 55.875 55.803 0.027 0.000 0.870 320 Q CB 0.609 29.338 28.738 -0.016 0.000 1.237 320 Q HN 1.477 nan 8.270 nan 0.000 0.497 321 A N 0.391 123.281 122.820 0.117 0.000 1.889 321 A HA 0.236 4.556 4.320 -0.000 0.000 0.209 321 A C 0.853 178.505 177.584 0.114 0.000 1.315 321 A CA 1.457 53.559 52.037 0.108 0.000 0.611 321 A CB -1.257 17.778 19.000 0.059 0.000 0.950 321 A HN 0.506 nan 8.150 nan 0.000 0.477 322 G N -0.968 107.874 108.800 0.069 0.000 2.350 322 G HA2 0.457 4.417 3.960 -0.000 0.000 0.306 322 G HA3 0.457 4.417 3.960 -0.000 0.000 0.306 322 G C -0.579 174.354 174.900 0.054 0.000 1.094 322 G CA -0.050 45.085 45.100 0.057 0.000 0.953 322 G HN 0.320 nan 8.290 nan 0.000 0.420 323 D N 0.624 121.071 120.400 0.078 0.000 2.473 323 D HA 0.036 4.676 4.640 -0.000 0.000 0.242 323 D C 0.344 176.675 176.300 0.052 0.000 1.106 323 D CA 0.187 54.221 54.000 0.057 0.000 0.854 323 D CB 0.354 41.184 40.800 0.051 0.000 1.192 323 D HN 0.344 nan 8.370 nan 0.000 0.503 324 Q N 0.781 120.612 119.800 0.051 0.000 2.499 324 Q HA -0.185 4.155 4.340 -0.000 0.000 0.262 324 Q C -0.344 175.676 176.000 0.034 0.000 1.328 324 Q CA 0.777 56.587 55.803 0.011 0.000 0.794 324 Q CB -1.438 27.289 28.738 -0.019 0.000 0.888 324 Q HN 0.445 nan 8.270 nan 0.000 0.305 325 M N 1.020 120.658 119.600 0.063 0.000 2.157 325 M HA 0.537 5.017 4.480 -0.000 0.000 0.354 325 M C 0.282 176.634 176.300 0.087 0.000 1.170 325 M CA -0.427 54.959 55.300 0.143 0.000 1.060 325 M CB 1.789 34.559 32.600 0.283 0.000 1.615 325 M HN 0.482 nan 8.290 nan 0.000 0.460 326 S N 3.064 118.833 115.700 0.116 0.000 2.541 326 S HA 0.865 5.335 4.470 -0.000 0.000 0.280 326 S C -1.457 173.277 174.600 0.223 0.000 1.112 326 S CA -0.837 57.388 58.200 0.041 0.000 0.925 326 S CB 1.733 64.907 63.200 -0.044 0.000 1.067 326 S HN 0.968 nan 8.310 nan 0.000 0.479 327 W N 0.201 121.686 121.300 0.308 0.000 3.118 327 W HA 0.721 5.381 4.660 -0.000 0.000 0.328 327 W C -1.223 175.428 176.519 0.221 0.000 1.239 327 W CA -0.874 56.617 57.345 0.244 0.000 1.176 327 W CB 1.254 30.876 29.460 0.270 0.000 1.433 327 W HN 0.707 nan 8.180 nan 0.000 0.562 328 S N 1.065 117.123 115.700 0.595 0.000 2.475 328 S HA 0.806 5.276 4.470 -0.000 0.000 0.298 328 S C -0.721 174.155 174.600 0.460 0.000 1.119 328 S CA -0.224 58.224 58.200 0.413 0.000 1.085 328 S CB 1.002 64.321 63.200 0.199 0.000 1.028 328 S HN 0.832 nan 8.310 nan 0.000 0.489 329 A N 4.474 127.513 122.820 0.365 0.000 2.414 329 A HA 0.872 5.192 4.320 -0.000 0.000 0.306 329 A C -0.600 176.970 177.584 -0.024 0.000 1.054 329 A CA -0.783 51.235 52.037 -0.032 0.000 0.724 329 A CB 1.441 20.395 19.000 -0.077 0.000 1.267 329 A HN 0.746 nan 8.150 nan 0.000 0.418 330 R N 0.764 121.161 120.500 -0.171 0.000 2.651 330 R HA 0.682 5.022 4.340 -0.000 0.000 0.278 330 R C -0.583 175.643 176.300 -0.124 0.000 1.010 330 R CA 0.338 56.387 56.100 -0.085 0.000 0.896 330 R CB 2.193 32.466 30.300 -0.045 0.000 1.211 330 R HN 2.074 nan 8.270 nan 0.000 0.456 331 G N 0.915 109.662 108.800 -0.088 0.000 2.333 331 G HA2 0.093 4.053 3.960 -0.000 0.000 0.330 331 G HA3 0.093 4.053 3.960 -0.000 0.000 0.330 331 G C -1.716 173.114 174.900 -0.116 0.000 1.465 331 G CA -0.640 44.406 45.100 -0.091 0.000 0.996 331 G HN 0.567 nan 8.290 nan 0.000 0.655 332 S N -0.540 115.088 115.700 -0.120 0.000 2.566 332 S HA 0.883 5.353 4.470 -0.000 0.000 0.298 332 S C -0.276 174.209 174.600 -0.193 0.000 1.083 332 S CA -0.960 57.141 58.200 -0.166 0.000 0.978 332 S CB 2.090 65.211 63.200 -0.131 0.000 1.073 332 S HN 0.770 nan 8.310 nan 0.000 0.491 333 L N 0.905 121.975 121.223 -0.255 0.000 2.319 333 L HA 0.887 5.227 4.340 -0.000 0.000 0.267 333 L C -0.265 176.515 176.870 -0.150 0.000 1.011 333 L CA -1.133 53.550 54.840 -0.262 0.000 0.818 333 L CB 1.788 43.608 42.059 -0.399 0.000 1.316 333 L HN 0.846 nan 8.230 nan 0.000 0.432 334 A N 1.643 124.411 122.820 -0.086 0.000 2.330 334 A HA 0.720 5.039 4.320 -0.000 0.000 0.313 334 A C -0.895 176.695 177.584 0.010 0.000 1.124 334 A CA -0.471 51.549 52.037 -0.027 0.000 0.774 334 A CB 1.494 20.485 19.000 -0.016 0.000 1.198 334 A HN 0.368 nan 8.150 nan 0.000 0.465 335 V N 2.834 122.784 119.914 0.060 0.000 2.328 335 V HA 0.402 4.522 4.120 -0.000 0.000 0.278 335 V C 0.108 176.251 176.094 0.082 0.000 1.021 335 V CA -0.224 62.132 62.300 0.093 0.000 0.838 335 V CB 1.170 33.084 31.823 0.150 0.000 0.999 335 V HN 0.870 nan 8.190 nan 0.000 0.447 336 T N 7.025 121.567 114.554 -0.019 0.000 2.743 336 T HA 0.483 4.833 4.350 -0.000 0.000 0.292 336 T C -0.021 174.533 174.700 -0.243 0.000 0.972 336 T CA -0.149 61.879 62.100 -0.119 0.000 0.967 336 T CB 0.653 69.432 68.868 -0.148 0.000 0.926 336 T HN 0.616 nan 8.240 nan 0.000 0.459 337 I N 1.860 122.341 120.570 -0.148 0.000 2.312 337 I HA 0.406 4.575 4.170 -0.000 0.000 0.290 337 I C -0.246 175.788 176.117 -0.138 0.000 1.008 337 I CA -0.799 60.411 61.300 -0.150 0.000 1.226 337 I CB 0.681 38.697 38.000 0.027 0.000 1.371 337 I HN 0.545 nan 8.210 nan 0.000 0.468 338 H N 5.350 124.446 119.070 0.043 0.000 2.886 338 H HA 0.133 4.689 4.556 -0.000 0.000 0.329 338 H C 1.477 176.817 175.328 0.020 0.000 1.044 338 H CA 1.054 57.118 56.048 0.027 0.000 1.456 338 H CB 0.872 30.646 29.762 0.021 0.000 1.464 338 H HN 1.026 nan 8.280 nan 0.000 0.573 339 G N 2.674 111.555 108.800 0.134 0.000 2.200 339 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.267 339 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.267 339 G C 1.551 176.503 174.900 0.086 0.000 0.993 339 G CA 0.838 45.987 45.100 0.081 0.000 0.701 339 G HN 0.868 nan 8.290 nan 0.000 0.524 340 G N 0.115 108.955 108.800 0.066 0.000 2.450 340 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 340 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 340 G C 1.330 176.262 174.900 0.054 0.000 1.130 340 G CA 1.300 46.433 45.100 0.056 0.000 0.760 340 G HN 0.518 nan 8.290 nan 0.000 0.557 341 N N -0.861 117.864 118.700 0.042 0.000 2.336 341 N HA 0.061 4.801 4.740 -0.000 0.000 0.189 341 N C -0.271 175.267 175.510 0.047 0.000 1.113 341 N CA -0.475 52.586 53.050 0.019 0.000 0.858 341 N CB -0.114 38.361 38.487 -0.020 0.000 0.970 341 N HN 0.429 nan 8.380 nan 0.000 0.471 342 Y N 2.698 122.980 120.300 -0.029 0.000 2.605 342 Y HA 0.140 4.690 4.550 -0.000 0.000 0.336 342 Y C -2.104 173.772 175.900 -0.040 0.000 1.111 342 Y CA -2.006 56.072 58.100 -0.037 0.000 1.422 342 Y CB 0.497 38.927 38.460 -0.049 0.000 1.193 342 Y HN 0.005 nan 8.280 nan 0.000 0.526 343 P HA 0.080 nan 4.420 nan 0.000 0.260 343 P C 0.525 177.748 177.300 -0.127 0.000 1.185 343 P CA 1.943 64.894 63.100 -0.247 0.000 0.763 343 P CB 0.492 31.995 31.700 -0.329 0.000 0.776 344 G N 3.264 112.081 108.800 0.028 0.000 2.313 344 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.215 344 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.215 344 G C 1.208 176.226 174.900 0.197 0.000 1.023 344 G CA 0.331 45.509 45.100 0.130 0.000 0.626 344 G HN 0.612 nan 8.290 nan 0.000 0.503 345 A N -0.212 122.708 122.820 0.166 0.000 1.969 345 A HA 0.541 4.861 4.320 -0.000 0.000 0.218 345 A C 2.186 179.893 177.584 0.204 0.000 1.169 345 A CA 2.040 54.137 52.037 0.099 0.000 0.635 345 A CB -0.195 18.843 19.000 0.062 0.000 0.810 345 A HN 0.976 nan 8.150 nan 0.000 0.445 346 L N -3.774 117.552 121.223 0.171 0.000 3.316 346 L HA 0.203 4.542 4.340 -0.000 0.000 0.300 346 L C 2.059 179.058 176.870 0.215 0.000 1.128 346 L CA 0.201 55.139 54.840 0.164 0.000 1.111 346 L CB 0.068 42.205 42.059 0.130 0.000 1.687 346 L HN 0.296 nan 8.230 nan 0.000 0.594 347 R N 1.731 122.327 120.500 0.160 0.000 2.072 347 R HA 0.079 4.419 4.340 -0.000 0.000 0.221 347 R C -1.771 174.595 176.300 0.110 0.000 1.166 347 R CA 0.692 56.851 56.100 0.098 0.000 0.917 347 R CB -0.905 29.408 30.300 0.021 0.000 0.815 347 R HN 0.020 nan 8.270 nan 0.000 0.444 348 P HA 0.123 nan 4.420 nan 0.000 0.275 348 P C -1.303 176.110 177.300 0.188 0.000 1.227 348 P CA 0.139 63.288 63.100 0.081 0.000 0.781 348 P CB 1.511 33.237 31.700 0.043 0.000 0.906 349 V N 3.289 123.319 119.914 0.193 0.000 2.588 349 V HA 0.387 4.507 4.120 -0.000 0.000 0.304 349 V C 0.074 176.243 176.094 0.125 0.000 1.042 349 V CA -0.288 62.119 62.300 0.178 0.000 0.877 349 V CB 2.243 34.191 31.823 0.208 0.000 0.996 349 V HN 0.468 nan 8.190 nan 0.000 0.425 350 T N 6.046 120.647 114.554 0.078 0.000 2.770 350 T HA 0.629 4.979 4.350 -0.000 0.000 0.283 350 T C -0.615 174.117 174.700 0.054 0.000 0.988 350 T CA -0.280 61.876 62.100 0.093 0.000 0.957 350 T CB 0.915 69.861 68.868 0.130 0.000 0.930 350 T HN 0.233 nan 8.240 nan 0.000 0.443 351 L N 4.107 125.335 121.223 0.008 0.000 2.282 351 L HA 0.554 4.894 4.340 -0.000 0.000 0.288 351 L C -0.353 176.524 176.870 0.011 0.000 1.033 351 L CA -0.421 54.385 54.840 -0.057 0.000 0.807 351 L CB 1.687 43.680 42.059 -0.110 0.000 1.209 351 L HN 0.384 nan 8.230 nan 0.000 0.423 352 V N 3.432 123.362 119.914 0.027 0.000 2.326 352 V HA 0.748 4.868 4.120 -0.000 0.000 0.281 352 V C 0.090 176.262 176.094 0.130 0.000 1.015 352 V CA -0.671 61.694 62.300 0.108 0.000 0.823 352 V CB 1.262 33.212 31.823 0.210 0.000 1.009 352 V HN 0.828 nan 8.190 nan 0.000 0.436 353 A N 5.571 128.465 122.820 0.122 0.000 2.317 353 A HA 0.914 5.234 4.320 -0.000 0.000 0.327 353 A C -0.896 176.921 177.584 0.388 0.000 1.178 353 A CA -0.480 51.664 52.037 0.179 0.000 0.817 353 A CB 0.840 19.921 19.000 0.135 0.000 1.189 353 A HN 0.978 nan 8.150 nan 0.000 0.489 354 Y N -0.020 120.474 120.300 0.325 0.000 2.524 354 Y HA 0.794 5.344 4.550 -0.000 0.000 0.344 354 Y C -0.311 175.655 175.900 0.111 0.000 1.012 354 Y CA -0.948 57.312 58.100 0.266 0.000 1.068 354 Y CB 1.361 39.915 38.460 0.156 0.000 1.249 354 Y HN 0.851 nan 8.280 nan 0.000 0.468 355 E N 0.814 121.027 120.200 0.021 0.000 2.430 355 E HA 0.567 4.917 4.350 -0.000 0.000 0.279 355 E C -0.557 175.994 176.600 -0.080 0.000 1.003 355 E CA -1.288 55.006 56.400 -0.176 0.000 0.801 355 E CB 1.523 30.884 29.700 -0.564 0.000 1.313 355 E HN 0.580 nan 8.360 nan 0.000 0.459 356 R N -0.901 119.564 120.500 -0.058 0.000 3.989 356 R HA -0.102 4.238 4.340 -0.000 0.000 0.377 356 R C -0.447 175.868 176.300 0.024 0.000 1.158 356 R CA 0.854 56.937 56.100 -0.028 0.000 1.035 356 R CB -2.821 27.444 30.300 -0.057 0.000 1.557 356 R HN 0.484 nan 8.270 nan 0.000 0.551 357 V N 1.408 121.371 119.914 0.081 0.000 2.614 357 V HA 0.439 4.559 4.120 -0.000 0.000 0.291 357 V C 1.448 177.577 176.094 0.057 0.000 1.049 357 V CA -0.043 62.303 62.300 0.077 0.000 1.038 357 V CB 1.536 33.423 31.823 0.106 0.000 0.980 357 V HN 0.365 nan 8.190 nan 0.000 0.481 358 A N 3.866 126.704 122.820 0.031 0.000 2.511 358 A HA 0.322 4.642 4.320 -0.000 0.000 0.242 358 A C 0.765 178.368 177.584 0.031 0.000 1.069 358 A CA -0.000 52.051 52.037 0.024 0.000 0.763 358 A CB -0.302 18.706 19.000 0.013 0.000 1.001 358 A HN 0.865 nan 8.150 nan 0.000 0.498 359 T N 1.873 116.446 114.554 0.031 0.000 2.908 359 T HA 0.401 4.751 4.350 -0.000 0.000 0.301 359 T C 1.543 176.259 174.700 0.026 0.000 1.019 359 T CA 1.618 63.739 62.100 0.035 0.000 1.152 359 T CB 0.408 69.292 68.868 0.027 0.000 0.966 359 T HN 2.025 nan 8.240 nan 0.000 0.540 360 G N 2.716 111.534 108.800 0.030 0.000 2.175 360 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.244 360 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.244 360 G C 0.377 175.282 174.900 0.009 0.000 0.982 360 G CA 0.112 45.224 45.100 0.019 0.000 0.641 360 G HN 1.131 nan 8.290 nan 0.000 0.527 361 S N -0.704 114.998 115.700 0.004 0.000 2.632 361 S HA 0.720 5.190 4.470 -0.000 0.000 0.267 361 S C 0.146 174.725 174.600 -0.034 0.000 1.276 361 S CA -0.269 57.923 58.200 -0.014 0.000 0.998 361 S CB 2.493 65.683 63.200 -0.017 0.000 0.953 361 S HN 0.983 nan 8.310 nan 0.000 0.547 362 V N 1.888 121.774 119.914 -0.046 0.000 2.394 362 V HA 0.353 4.473 4.120 -0.000 0.000 0.282 362 V C -0.267 175.764 176.094 -0.106 0.000 1.031 362 V CA -0.755 61.507 62.300 -0.063 0.000 0.881 362 V CB 1.304 33.104 31.823 -0.039 0.000 0.982 362 V HN 0.774 nan 8.190 nan 0.000 0.451 363 V N 4.602 124.414 119.914 -0.169 0.000 2.364 363 V HA 0.312 4.432 4.120 -0.000 0.000 0.272 363 V C 0.473 176.484 176.094 -0.138 0.000 1.036 363 V CA -0.088 62.080 62.300 -0.221 0.000 0.880 363 V CB 1.651 33.208 31.823 -0.444 0.000 0.991 363 V HN 0.970 nan 8.190 nan 0.000 0.460 364 T N 5.285 119.794 114.554 -0.075 0.000 2.767 364 T HA 0.532 4.882 4.350 -0.000 0.000 0.288 364 T C -0.232 174.477 174.700 0.016 0.000 0.963 364 T CA -0.269 61.818 62.100 -0.022 0.000 1.019 364 T CB 1.415 70.275 68.868 -0.014 0.000 0.923 364 T HN 0.333 nan 8.240 nan 0.000 0.468 365 V N 2.658 122.612 119.914 0.067 0.000 2.459 365 V HA 0.836 4.956 4.120 -0.000 0.000 0.295 365 V C -0.089 176.072 176.094 0.112 0.000 1.029 365 V CA -0.816 61.561 62.300 0.130 0.000 0.874 365 V CB 1.416 33.378 31.823 0.231 0.000 0.985 365 V HN 1.069 nan 8.190 nan 0.000 0.438 366 A N 3.395 126.258 122.820 0.073 0.000 2.427 366 A HA 0.971 5.291 4.320 -0.000 0.000 0.298 366 A C -0.171 177.422 177.584 0.016 0.000 1.036 366 A CA -0.011 52.050 52.037 0.041 0.000 0.701 366 A CB 1.895 20.905 19.000 0.016 0.000 1.250 366 A HN 1.212 nan 8.150 nan 0.000 0.412 367 G N -0.321 108.493 108.800 0.022 0.000 2.695 367 G HA2 0.637 4.597 3.960 -0.000 0.000 0.290 367 G HA3 0.637 4.597 3.960 -0.000 0.000 0.290 367 G C -1.783 173.122 174.900 0.008 0.000 1.410 367 G CA -0.556 44.537 45.100 -0.013 0.000 0.844 367 G HN 1.129 nan 8.290 nan 0.000 0.478 368 V N 0.266 120.171 119.914 -0.015 0.000 2.638 368 V HA 0.690 4.810 4.120 -0.000 0.000 0.306 368 V C -0.259 175.817 176.094 -0.031 0.000 1.052 368 V CA -0.709 61.592 62.300 0.002 0.000 0.885 368 V CB 1.916 33.739 31.823 -0.001 0.000 0.999 368 V HN 0.759 nan 8.190 nan 0.000 0.424 369 S N 4.085 119.776 115.700 -0.015 0.000 2.482 369 S HA 0.582 5.052 4.470 -0.000 0.000 0.303 369 S C -0.650 173.757 174.600 -0.321 0.000 1.091 369 S CA -0.811 57.282 58.200 -0.178 0.000 1.057 369 S CB 1.193 64.359 63.200 -0.056 0.000 1.031 369 S HN 0.752 nan 8.310 nan 0.000 0.485 370 N N 1.707 120.090 118.700 -0.528 0.000 2.321 370 N HA 0.610 5.350 4.740 -0.000 0.000 0.299 370 N C -1.502 173.646 175.510 -0.605 0.000 1.048 370 N CA -0.228 52.603 53.050 -0.365 0.000 0.836 370 N CB 1.402 39.807 38.487 -0.137 0.000 1.269 370 N HN 0.404 nan 8.380 nan 0.000 0.486 371 F N 0.016 119.985 119.950 0.031 0.000 2.576 371 F HA 0.335 4.862 4.527 -0.000 0.000 0.313 371 F C 0.494 176.300 175.800 0.010 0.000 1.078 371 F CA -0.876 57.125 58.000 0.002 0.000 0.921 371 F CB 1.898 40.871 39.000 -0.045 0.000 1.232 371 F HN 0.148 nan 8.300 nan 0.000 0.459 372 E N 2.947 123.252 120.200 0.174 0.000 2.227 372 E HA 0.606 4.956 4.350 -0.000 0.000 0.282 372 E C -1.156 175.576 176.600 0.220 0.000 1.015 372 E CA -0.432 56.053 56.400 0.141 0.000 0.823 372 E CB 1.570 31.168 29.700 -0.170 0.000 1.081 372 E HN 0.413 nan 8.360 nan 0.000 0.396 373 L N 3.695 125.074 121.223 0.259 0.000 2.388 373 L HA 0.555 4.895 4.340 -0.000 0.000 0.264 373 L C -0.658 176.387 176.870 0.291 0.000 0.998 373 L CA -0.821 54.111 54.840 0.153 0.000 0.817 373 L CB 1.862 43.686 42.059 -0.392 0.000 1.338 373 L HN 0.429 nan 8.230 nan 0.000 0.414 374 I N 3.426 124.199 120.570 0.338 0.000 2.362 374 I HA 0.355 4.525 4.170 -0.000 0.000 0.289 374 I C -2.216 174.136 176.117 0.393 0.000 0.994 374 I CA -2.008 59.467 61.300 0.291 0.000 1.158 374 I CB 1.971 40.086 38.000 0.191 0.000 1.315 374 I HN 0.245 nan 8.210 nan 0.000 0.451 375 P HA 0.061 nan 4.420 nan 0.000 0.272 375 P C -0.985 176.350 177.300 0.059 0.000 1.223 375 P CA -0.349 62.845 63.100 0.156 0.000 0.784 375 P CB 0.282 32.014 31.700 0.054 0.000 0.923 376 N N 2.414 121.080 118.700 -0.057 0.000 2.354 376 N HA 0.079 4.819 4.740 -0.000 0.000 0.246 376 N C -1.976 173.514 175.510 -0.033 0.000 1.285 376 N CA -1.611 51.416 53.050 -0.038 0.000 0.925 376 N CB -1.366 37.074 38.487 -0.077 0.000 1.174 376 N HN 0.153 nan 8.380 nan 0.000 0.478 377 P HA -0.160 nan 4.420 nan 0.000 0.216 377 P C 0.981 178.265 177.300 -0.027 0.000 1.150 377 P CA 1.500 64.592 63.100 -0.014 0.000 0.843 377 P CB 0.200 31.894 31.700 -0.010 0.000 0.787 378 E N -0.940 119.235 120.200 -0.042 0.000 2.072 378 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 378 E C 1.763 178.331 176.600 -0.053 0.000 0.982 378 E CA 0.745 57.119 56.400 -0.044 0.000 0.803 378 E CB -1.042 28.630 29.700 -0.047 0.000 0.755 378 E HN 0.015 nan 8.360 nan 0.000 0.453 379 L N -0.024 121.151 121.223 -0.081 0.000 2.156 379 L HA 0.112 4.452 4.340 -0.000 0.000 0.208 379 L C 2.035 178.874 176.870 -0.052 0.000 1.095 379 L CA 1.485 56.269 54.840 -0.094 0.000 0.770 379 L CB -0.669 41.274 42.059 -0.193 0.000 0.914 379 L HN 0.181 nan 8.230 nan 0.000 0.439 380 A N -0.883 121.916 122.820 -0.035 0.000 2.131 380 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 380 A C 2.178 179.755 177.584 -0.011 0.000 1.158 380 A CA 1.532 53.563 52.037 -0.010 0.000 0.665 380 A CB -0.523 18.476 19.000 -0.002 0.000 0.795 380 A HN 0.476 nan 8.150 nan 0.000 0.460 381 K N -0.791 119.599 120.400 -0.017 0.000 2.366 381 K HA 0.016 4.336 4.320 -0.000 0.000 0.198 381 K C 0.375 176.969 176.600 -0.010 0.000 1.044 381 K CA 0.846 57.125 56.287 -0.013 0.000 0.973 381 K CB 0.056 32.547 32.500 -0.015 0.000 0.767 381 K HN 0.390 nan 8.250 nan 0.000 0.475 382 N N -0.163 118.531 118.700 -0.010 0.000 2.118 382 N HA 0.046 4.786 4.740 -0.000 0.000 0.226 382 N C -1.008 174.504 175.510 0.004 0.000 1.305 382 N CA -0.049 52.998 53.050 -0.005 0.000 0.890 382 N CB 1.075 39.557 38.487 -0.008 0.000 1.118 382 N HN -0.017 nan 8.380 nan 0.000 0.511 383 L N 2.511 123.739 121.223 0.008 0.000 2.318 383 L HA 0.441 4.781 4.340 -0.000 0.000 0.277 383 L C -0.312 176.571 176.870 0.021 0.000 1.008 383 L CA -0.563 54.294 54.840 0.028 0.000 0.846 383 L CB 1.222 43.311 42.059 0.050 0.000 1.220 383 L HN -0.277 nan 8.230 nan 0.000 0.423 384 V N 4.106 124.027 119.914 0.013 0.000 2.585 384 V HA 0.249 4.369 4.120 -0.000 0.000 0.296 384 V C 0.841 176.925 176.094 -0.016 0.000 1.035 384 V CA 0.002 62.298 62.300 -0.006 0.000 1.084 384 V CB 1.266 33.085 31.823 -0.007 0.000 0.953 384 V HN 0.908 nan 8.190 nan 0.000 0.483 385 T N 2.479 117.003 114.554 -0.050 0.000 2.912 385 T HA 0.812 5.162 4.350 -0.000 0.000 0.288 385 T C -0.759 173.840 174.700 -0.168 0.000 1.030 385 T CA -0.902 61.140 62.100 -0.096 0.000 1.020 385 T CB 2.291 71.104 68.868 -0.091 0.000 1.056 385 T HN 0.679 nan 8.240 nan 0.000 0.480 386 E N 0.156 120.208 120.200 -0.248 0.000 2.408 386 E HA 0.359 4.709 4.350 -0.000 0.000 0.275 386 E C -1.278 175.115 176.600 -0.344 0.000 0.935 386 E CA -0.979 55.269 56.400 -0.254 0.000 0.775 386 E CB 1.838 31.457 29.700 -0.135 0.000 1.277 386 E HN 0.650 nan 8.360 nan 0.000 0.455 387 Y N 0.506 120.764 120.300 -0.070 0.000 2.480 387 Y HA 0.229 4.779 4.550 -0.000 0.000 0.338 387 Y C 1.432 177.327 175.900 -0.007 0.000 1.220 387 Y CA 0.194 58.293 58.100 -0.002 0.000 1.430 387 Y CB 0.524 38.999 38.460 0.025 0.000 1.311 387 Y HN 0.606 nan 8.280 nan 0.000 0.575 388 G N 2.823 111.807 108.800 0.307 0.000 2.559 388 G HA2 0.063 4.023 3.960 -0.000 0.000 0.235 388 G HA3 0.063 4.023 3.960 -0.000 0.000 0.235 388 G C -0.214 174.803 174.900 0.195 0.000 1.266 388 G CA -0.884 44.370 45.100 0.257 0.000 0.847 388 G HN 0.437 nan 8.290 nan 0.000 0.583 389 R N -0.131 120.460 120.500 0.151 0.000 2.538 389 R HA -0.011 4.329 4.340 -0.000 0.000 0.282 389 R C -0.326 176.083 176.300 0.183 0.000 1.009 389 R CA -0.437 55.748 56.100 0.141 0.000 1.063 389 R CB 0.011 30.367 30.300 0.093 0.000 0.945 389 R HN 0.381 nan 8.270 nan 0.000 0.414 390 F N 4.860 124.830 119.950 0.033 0.000 2.421 390 F HA 0.168 4.694 4.527 -0.000 0.000 0.358 390 F C -0.346 175.461 175.800 0.013 0.000 1.115 390 F CA -1.400 56.611 58.000 0.017 0.000 1.160 390 F CB 0.460 39.464 39.000 0.006 0.000 1.123 390 F HN 0.482 nan 8.300 nan 0.000 0.508 391 D N 8.078 128.173 120.400 -0.508 0.000 2.620 391 D HA 0.322 4.962 4.640 -0.000 0.000 0.252 391 D C -3.290 172.594 176.300 -0.694 0.000 1.207 391 D CA -2.040 51.547 54.000 -0.690 0.000 0.884 391 D CB 1.740 42.361 40.800 -0.298 0.000 1.262 391 D HN 0.216 nan 8.370 nan 0.000 0.552 392 P HA 0.283 nan 4.420 nan 0.000 0.274 392 P C 1.011 178.200 177.300 -0.184 0.000 1.231 392 P CA 0.449 63.308 63.100 -0.401 0.000 0.790 392 P CB 1.085 32.635 31.700 -0.250 0.000 0.951 393 G N 1.416 110.178 108.800 -0.063 0.000 2.205 393 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.261 393 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.261 393 G C 1.122 176.045 174.900 0.038 0.000 0.980 393 G CA 0.711 45.811 45.100 0.000 0.000 0.632 393 G HN 0.737 nan 8.290 nan 0.000 0.533 394 A N -0.485 122.327 122.820 -0.013 0.000 1.877 394 A HA 0.203 4.523 4.320 -0.000 0.000 0.216 394 A C 2.273 179.921 177.584 0.108 0.000 1.186 394 A CA 2.830 54.897 52.037 0.049 0.000 0.620 394 A CB -0.369 18.625 19.000 -0.009 0.000 0.822 394 A HN 1.149 nan 8.150 nan 0.000 0.443 395 M N 0.847 120.461 119.600 0.023 0.000 2.132 395 M HA -0.080 4.400 4.480 -0.000 0.000 0.263 395 M C 1.543 177.893 176.300 0.083 0.000 1.065 395 M CA 1.731 57.039 55.300 0.013 0.000 1.122 395 M CB -0.955 31.620 32.600 -0.041 0.000 1.365 395 M HN 0.513 nan 8.290 nan 0.000 0.411 396 N N -1.327 117.427 118.700 0.090 0.000 2.166 396 N HA -0.217 4.523 4.740 -0.000 0.000 0.186 396 N C 1.733 177.321 175.510 0.130 0.000 1.019 396 N CA 1.606 54.714 53.050 0.097 0.000 0.856 396 N CB -0.404 38.136 38.487 0.088 0.000 0.993 396 N HN 0.429 nan 8.380 nan 0.000 0.426 397 Y N 2.336 122.668 120.300 0.053 0.000 2.200 397 Y HA -0.158 4.392 4.550 -0.000 0.000 0.290 397 Y C 2.522 178.480 175.900 0.096 0.000 1.137 397 Y CA 1.404 59.546 58.100 0.070 0.000 1.163 397 Y CB -0.464 38.038 38.460 0.071 0.000 0.988 397 Y HN -0.034 nan 8.280 nan 0.000 0.518 398 T N 0.190 114.876 114.554 0.219 0.000 2.708 398 T HA -0.201 4.149 4.350 -0.000 0.000 0.266 398 T C 1.800 176.564 174.700 0.106 0.000 1.037 398 T CA 1.909 64.127 62.100 0.196 0.000 1.146 398 T CB -0.198 68.860 68.868 0.316 0.000 0.865 398 T HN 0.266 nan 8.240 nan 0.000 0.435 399 K N 0.379 120.835 120.400 0.094 0.000 2.097 399 K HA -0.012 4.308 4.320 -0.000 0.000 0.206 399 K C 2.198 178.800 176.600 0.003 0.000 1.049 399 K CA 0.846 57.170 56.287 0.063 0.000 0.933 399 K CB -0.344 32.193 32.500 0.062 0.000 0.717 399 K HN 0.138 nan 8.250 nan 0.000 0.442 400 L N 1.312 122.508 121.223 -0.044 0.000 1.994 400 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 400 L C 1.899 178.693 176.870 -0.127 0.000 1.071 400 L CA 1.579 56.361 54.840 -0.096 0.000 0.745 400 L CB -0.375 41.593 42.059 -0.153 0.000 0.892 400 L HN 0.083 nan 8.230 nan 0.000 0.431 401 I N -0.285 120.165 120.570 -0.199 0.000 2.127 401 I HA -0.318 3.852 4.170 -0.000 0.000 0.241 401 I C 2.599 178.682 176.117 -0.056 0.000 1.075 401 I CA 1.656 62.864 61.300 -0.154 0.000 1.334 401 I CB -1.269 36.631 38.000 -0.166 0.000 1.040 401 I HN 0.323 nan 8.210 nan 0.000 0.405 402 L N 0.037 121.247 121.223 -0.022 0.000 2.093 402 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 402 L C 2.698 179.557 176.870 -0.018 0.000 1.085 402 L CA 1.408 56.246 54.840 -0.004 0.000 0.755 402 L CB -0.609 41.467 42.059 0.029 0.000 0.904 402 L HN 0.277 nan 8.230 nan 0.000 0.435 403 S N -0.226 115.462 115.700 -0.020 0.000 2.400 403 S HA -0.163 4.307 4.470 -0.000 0.000 0.232 403 S C 1.519 176.104 174.600 -0.025 0.000 1.025 403 S CA 1.191 59.378 58.200 -0.021 0.000 0.993 403 S CB -0.073 63.117 63.200 -0.018 0.000 0.808 403 S HN 0.402 nan 8.310 nan 0.000 0.478 404 E N 0.640 120.822 120.200 -0.029 0.000 2.499 404 E HA 0.158 4.508 4.350 -0.000 0.000 0.199 404 E C 1.530 178.117 176.600 -0.022 0.000 1.016 404 E CA -0.270 56.116 56.400 -0.022 0.000 0.933 404 E CB -0.010 29.679 29.700 -0.018 0.000 1.050 404 E HN 0.505 nan 8.360 nan 0.000 0.462 405 R N 1.471 121.953 120.500 -0.031 0.000 2.112 405 R HA -0.199 4.141 4.340 -0.000 0.000 0.242 405 R C 0.897 177.160 176.300 -0.061 0.000 1.137 405 R CA 1.873 57.947 56.100 -0.043 0.000 0.944 405 R CB 0.105 30.373 30.300 -0.053 0.000 0.857 405 R HN 0.086 nan 8.270 nan 0.000 0.435 406 D N -0.261 120.102 120.400 -0.061 0.000 2.149 406 D HA -0.159 4.481 4.640 -0.000 0.000 0.201 406 D C 2.026 178.293 176.300 -0.055 0.000 0.972 406 D CA 1.417 55.374 54.000 -0.073 0.000 0.835 406 D CB -0.222 40.539 40.800 -0.065 0.000 0.966 406 D HN 0.449 nan 8.370 nan 0.000 0.476 407 R N 0.787 121.268 120.500 -0.030 0.000 2.148 407 R HA 0.018 4.358 4.340 -0.000 0.000 0.223 407 R C 1.997 178.301 176.300 0.007 0.000 1.088 407 R CA 0.781 56.874 56.100 -0.012 0.000 0.985 407 R CB -0.429 29.870 30.300 -0.001 0.000 0.880 407 R HN 0.146 nan 8.270 nan 0.000 0.451 408 L N 0.322 121.554 121.223 0.016 0.000 2.446 408 L HA 0.279 4.619 4.340 -0.000 0.000 0.219 408 L C 0.914 177.808 176.870 0.041 0.000 1.116 408 L CA 0.512 55.395 54.840 0.071 0.000 0.844 408 L CB 0.012 42.135 42.059 0.107 0.000 0.970 408 L HN 0.629 nan 8.230 nan 0.000 0.457 409 G N 1.529 110.293 108.800 -0.060 0.000 2.272 409 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.280 409 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.280 409 G C 0.037 174.740 174.900 -0.329 0.000 1.067 409 G CA -0.206 44.789 45.100 -0.175 0.000 0.902 409 G HN 0.299 nan 8.290 nan 0.000 0.500 410 I N 0.827 121.247 120.570 -0.250 0.000 2.294 410 I HA 0.211 4.381 4.170 -0.000 0.000 0.295 410 I C 0.917 176.815 176.117 -0.366 0.000 1.098 410 I CA -0.035 61.113 61.300 -0.254 0.000 1.277 410 I CB 0.433 38.388 38.000 -0.074 0.000 1.434 410 I HN 0.083 nan 8.210 nan 0.000 0.498 411 K N 3.379 123.292 120.400 -0.812 0.000 2.087 411 K HA 0.333 4.653 4.320 -0.000 0.000 0.255 411 K C 1.151 177.517 176.600 -0.390 0.000 0.988 411 K CA -0.457 55.310 56.287 -0.867 0.000 0.915 411 K CB 1.227 32.764 32.500 -1.606 0.000 1.043 411 K HN 0.561 nan 8.250 nan 0.000 0.457 412 T N -3.105 111.293 114.554 -0.260 0.000 3.051 412 T HA 0.045 4.395 4.350 -0.000 0.000 0.255 412 T C 0.690 175.367 174.700 -0.039 0.000 1.085 412 T CA -0.109 61.948 62.100 -0.072 0.000 1.109 412 T CB -0.141 68.691 68.868 -0.060 0.000 0.921 412 T HN 0.372 nan 8.240 nan 0.000 0.488 413 V N -1.713 118.100 119.914 -0.169 0.000 2.577 413 V HA 0.811 4.931 4.120 -0.000 0.000 0.303 413 V C -1.810 174.198 176.094 -0.144 0.000 1.042 413 V CA -1.754 60.513 62.300 -0.056 0.000 0.872 413 V CB 0.893 32.694 31.823 -0.037 0.000 0.998 413 V HN 0.351 nan 8.190 nan 0.000 0.423 414 W N 3.582 124.837 121.300 -0.074 0.000 2.844 414 W HA 0.734 5.394 4.660 -0.000 0.000 0.340 414 W C -2.719 173.799 176.519 -0.002 0.000 1.093 414 W CA -2.508 54.818 57.345 -0.031 0.000 1.212 414 W CB 1.815 31.275 29.460 0.000 0.000 1.422 414 W HN 0.344 nan 8.180 nan 0.000 0.515 415 P HA 0.073 nan 4.420 nan 0.000 0.271 415 P C 0.842 178.292 177.300 0.250 0.000 1.226 415 P CA 0.385 63.606 63.100 0.202 0.000 0.765 415 P CB 0.817 32.611 31.700 0.157 0.000 0.835 416 T N 2.812 117.471 114.554 0.176 0.000 2.699 416 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 416 T C 1.770 176.573 174.700 0.173 0.000 1.036 416 T CA 1.777 63.972 62.100 0.158 0.000 1.147 416 T CB -0.352 68.574 68.868 0.096 0.000 0.862 416 T HN 0.432 nan 8.240 nan 0.000 0.446 417 R N 1.467 122.051 120.500 0.141 0.000 2.091 417 R HA -0.100 4.240 4.340 -0.000 0.000 0.238 417 R C 2.115 178.502 176.300 0.144 0.000 1.136 417 R CA 1.851 58.023 56.100 0.119 0.000 0.959 417 R CB -0.387 29.970 30.300 0.095 0.000 0.856 417 R HN 0.476 nan 8.270 nan 0.000 0.437 418 E N -1.176 119.150 120.200 0.209 0.000 2.152 418 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 418 E C 1.573 178.358 176.600 0.307 0.000 0.983 418 E CA 1.142 57.708 56.400 0.277 0.000 0.818 418 E CB -0.203 29.703 29.700 0.344 0.000 0.758 418 E HN 0.432 nan 8.360 nan 0.000 0.467 419 Y N 1.531 121.875 120.300 0.073 0.000 2.220 419 Y HA -0.179 4.371 4.550 -0.000 0.000 0.291 419 Y C 2.355 178.158 175.900 -0.161 0.000 1.129 419 Y CA 1.629 59.482 58.100 -0.412 0.000 1.161 419 Y CB -0.334 37.732 38.460 -0.657 0.000 0.997 419 Y HN -0.111 nan 8.280 nan 0.000 0.522 420 T N 0.425 114.944 114.554 -0.058 0.000 2.684 420 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 420 T C 1.328 175.980 174.700 -0.081 0.000 1.036 420 T CA 1.760 63.807 62.100 -0.089 0.000 1.148 420 T CB -0.396 68.485 68.868 0.020 0.000 0.863 420 T HN 0.356 nan 8.240 nan 0.000 0.436 421 D N 0.442 120.850 120.400 0.012 0.000 2.123 421 D HA -0.067 4.573 4.640 -0.000 0.000 0.196 421 D C 1.664 178.012 176.300 0.080 0.000 0.992 421 D CA 0.736 54.771 54.000 0.058 0.000 0.833 421 D CB -0.502 40.356 40.800 0.097 0.000 0.954 421 D HN 0.367 nan 8.370 nan 0.000 0.455 422 F N 1.797 121.690 119.950 -0.095 0.000 2.095 422 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 422 F C 2.284 178.039 175.800 -0.075 0.000 1.104 422 F CA 1.446 59.403 58.000 -0.071 0.000 1.232 422 F CB -0.083 38.793 39.000 -0.206 0.000 0.987 422 F HN -0.204 nan 8.300 nan 0.000 0.475 423 R N 0.369 120.652 120.500 -0.362 0.000 2.096 423 R HA -0.241 4.098 4.340 -0.000 0.000 0.240 423 R C 2.364 178.537 176.300 -0.211 0.000 1.139 423 R CA 2.174 58.068 56.100 -0.343 0.000 0.952 423 R CB -0.791 29.303 30.300 -0.343 0.000 0.854 423 R HN 0.637 nan 8.270 nan 0.000 0.436 424 E N -0.606 119.511 120.200 -0.138 0.000 2.216 424 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 424 E C 1.648 178.197 176.600 -0.085 0.000 0.988 424 E CA 0.790 57.128 56.400 -0.104 0.000 0.834 424 E CB -0.294 29.372 29.700 -0.057 0.000 0.772 424 E HN 0.415 nan 8.360 nan 0.000 0.479 425 Y N 1.083 121.290 120.300 -0.156 0.000 2.130 425 Y HA -0.030 4.520 4.550 -0.000 0.000 0.287 425 Y C 1.112 176.928 175.900 -0.140 0.000 1.124 425 Y CA 0.958 58.991 58.100 -0.112 0.000 1.118 425 Y CB -0.259 38.176 38.460 -0.041 0.000 0.994 425 Y HN 0.091 nan 8.280 nan 0.000 0.497 426 F N 0.508 120.290 119.950 -0.281 0.000 2.521 426 F HA -0.005 4.522 4.527 -0.000 0.000 0.298 426 F C 1.015 176.637 175.800 -0.296 0.000 1.289 426 F CA 0.199 57.977 58.000 -0.372 0.000 1.315 426 F CB 0.197 38.778 39.000 -0.700 0.000 1.257 426 F HN 0.134 nan 8.300 nan 0.000 0.541 427 M N 2.135 120.772 119.600 -1.605 0.000 2.212 427 M HA -0.258 4.222 4.480 -0.000 0.000 0.193 427 M C 0.272 176.258 176.300 -0.524 0.000 0.493 427 M CA 0.763 55.432 55.300 -1.051 0.000 0.427 427 M CB -1.115 31.084 32.600 -0.668 0.000 1.120 427 M HN 0.806 nan 8.290 nan 0.000 0.929 428 E N -1.085 118.840 120.200 -0.458 0.000 2.474 428 E HA 0.183 4.533 4.350 -0.000 0.000 0.195 428 E C -0.033 176.420 176.600 -0.245 0.000 1.039 428 E CA 0.132 56.352 56.400 -0.301 0.000 0.881 428 E CB 0.703 30.233 29.700 -0.283 0.000 0.970 428 E HN 0.402 nan 8.360 nan 0.000 0.486 429 V N 0.918 120.668 119.914 -0.273 0.000 2.483 429 V HA 0.575 4.695 4.120 -0.000 0.000 0.297 429 V C -0.660 175.315 176.094 -0.199 0.000 1.027 429 V CA -0.606 61.572 62.300 -0.203 0.000 0.855 429 V CB 1.623 33.345 31.823 -0.168 0.000 0.995 429 V HN 0.067 nan 8.190 nan 0.000 0.424 430 A N 3.063 125.794 122.820 -0.149 0.000 2.839 430 A HA 0.469 4.789 4.320 -0.000 0.000 0.303 430 A C -0.408 177.122 177.584 -0.090 0.000 1.181 430 A CA -0.310 51.656 52.037 -0.119 0.000 0.808 430 A CB 0.579 19.507 19.000 -0.121 0.000 1.391 430 A HN 0.635 nan 8.150 nan 0.000 0.433 431 D N 2.373 122.725 120.400 -0.080 0.000 2.615 431 D HA 0.409 5.049 4.640 -0.000 0.000 0.236 431 D C 1.155 177.423 176.300 -0.053 0.000 1.233 431 D CA 0.311 54.270 54.000 -0.068 0.000 0.829 431 D CB -0.483 40.274 40.800 -0.070 0.000 1.024 431 D HN 0.652 nan 8.370 nan 0.000 0.490 432 L N -1.496 119.698 121.223 -0.048 0.000 5.895 432 L HA -0.352 3.988 4.340 -0.000 0.000 0.053 432 L C 0.615 177.464 176.870 -0.035 0.000 2.741 432 L CA 1.242 56.059 54.840 -0.037 0.000 1.500 432 L CB -1.647 40.392 42.059 -0.033 0.000 2.928 432 L HN 0.282 nan 8.230 nan 0.000 1.023 433 N N -0.387 118.295 118.700 -0.030 0.000 3.112 433 N HA 0.647 5.387 4.740 -0.000 0.000 0.231 433 N C -0.379 175.117 175.510 -0.025 0.000 1.385 433 N CA 0.454 53.487 53.050 -0.028 0.000 0.790 433 N CB 0.498 38.971 38.487 -0.023 0.000 1.563 433 N HN 1.151 nan 8.380 nan 0.000 0.613 434 S N 1.055 116.739 115.700 -0.027 0.000 2.560 434 S HA 0.502 4.971 4.470 -0.000 0.000 0.276 434 S C -1.251 173.337 174.600 -0.019 0.000 1.350 434 S CA -0.509 57.676 58.200 -0.024 0.000 1.024 434 S CB -0.717 62.467 63.200 -0.026 0.000 0.864 434 S HN 0.586 nan 8.310 nan 0.000 0.536 435 P HA -0.094 nan 4.420 nan 0.000 0.041 435 P C 0.188 177.481 177.300 -0.012 0.000 0.590 435 P CA 0.556 63.648 63.100 -0.014 0.000 1.019 435 P CB -0.685 31.007 31.700 -0.013 0.000 1.776 436 L N 0.573 121.788 121.223 -0.012 0.000 2.127 436 L HA -0.105 4.234 4.340 -0.000 0.000 0.203 436 L C 2.683 179.547 176.870 -0.009 0.000 1.080 436 L CA 1.637 56.472 54.840 -0.010 0.000 0.768 436 L CB -1.043 41.010 42.059 -0.010 0.000 0.924 436 L HN 0.071 nan 8.230 nan 0.000 0.444 437 K N 0.946 121.340 120.400 -0.010 0.000 2.362 437 K HA -0.117 4.203 4.320 -0.000 0.000 0.202 437 K C 1.524 178.120 176.600 -0.008 0.000 1.045 437 K CA 1.997 58.278 56.287 -0.009 0.000 0.936 437 K CB -0.825 31.669 32.500 -0.010 0.000 0.747 437 K HN 0.517 nan 8.250 nan 0.000 0.467 438 I N -1.856 118.709 120.570 -0.008 0.000 4.439 438 I HA 0.225 4.395 4.170 -0.000 0.000 0.331 438 I C 2.415 178.528 176.117 -0.007 0.000 1.345 438 I CA 0.418 61.714 61.300 -0.008 0.000 1.193 438 I CB 0.744 38.739 38.000 -0.008 0.000 1.221 438 I HN 0.219 nan 8.210 nan 0.000 0.429 439 A N 1.632 124.448 122.820 -0.007 0.000 1.862 439 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 439 A C 1.436 179.017 177.584 -0.005 0.000 1.251 439 A CA 2.137 54.170 52.037 -0.006 0.000 0.673 439 A CB -1.173 17.824 19.000 -0.006 0.000 0.843 439 A HN 0.416 nan 8.150 nan 0.000 0.458 440 G N 0.000 108.798 108.800 -0.004 0.000 5.446 440 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 440 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 440 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 440 G HN 0.000 nan 8.290 nan 0.000 0.925