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 2qi9_1_A DATA FIRST_RESID 2 DATA SEQUENCE LTLARQQQRQ NIRWLLSLSV LXLLALLLSL SAGEQWISPG DWFTPRGELF DATA SEQUENCE VWQIRLPRTL AVLLVGAALA ISGAVXQALF ENPLAEPGLL GVSNGAGVGL DATA SEQUENCE IAAVLLGQGQ LPNWALGLSA IAGALIITLI LLRFARRHLS TSRLLLAGVA DATA SEQUENCE LGIISSALXT WAIYFSTSVD LRQLXYWXXG GFGGVDWRQS WLXLALIPVL DATA SEQUENCE LWISSQSRPX NXLALGEISA RQLGLPLWFW RNVLVAATGW XVGVSVALAG DATA SEQUENCE AIGFIGLVIP HILRLSGLTD HRVLLPGCAL AGASALLLAD IVARLALAAA DATA SEQUENCE ELPIGVVTAT LGAPVFIWLL LKA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.871 176.870 0.001 0.000 1.165 2 L CA 0.000 54.840 54.840 0.000 0.000 0.813 2 L CB 0.000 42.059 42.059 -0.001 0.000 0.961 3 T N 1.266 115.821 114.554 0.002 0.000 2.624 3 T HA -0.249 4.101 4.350 0.001 0.000 0.266 3 T C 1.738 176.439 174.700 0.003 0.000 1.050 3 T CA 2.704 64.806 62.100 0.003 0.000 1.163 3 T CB -0.567 68.303 68.868 0.004 0.000 0.861 3 T HN 0.505 nan 8.240 nan 0.000 0.443 4 L N 0.474 121.697 121.223 0.000 0.000 2.021 4 L HA -0.266 4.075 4.340 0.001 0.000 0.215 4 L C 3.010 179.878 176.870 -0.003 0.000 1.074 4 L CA 1.717 56.556 54.840 -0.002 0.000 0.760 4 L CB -0.788 41.269 42.059 -0.004 0.000 0.889 4 L HN 0.334 nan 8.230 nan 0.000 0.433 5 A N 0.826 123.644 122.820 -0.003 0.000 1.832 5 A HA -0.237 4.083 4.320 0.001 0.000 0.214 5 A C 2.310 179.895 177.584 0.001 0.000 1.200 5 A CA 1.847 53.882 52.037 -0.004 0.000 0.610 5 A CB -0.742 18.256 19.000 -0.003 0.000 0.842 5 A HN 0.524 nan 8.150 nan 0.000 0.444 6 R N -0.382 120.120 120.500 0.003 0.000 2.119 6 R HA -0.271 4.070 4.340 0.001 0.000 0.246 6 R C 2.133 178.440 176.300 0.012 0.000 1.146 6 R CA 2.075 58.179 56.100 0.008 0.000 0.962 6 R CB -0.743 29.562 30.300 0.008 0.000 0.863 6 R HN 0.645 nan 8.270 nan 0.000 0.442 7 Q N 0.547 120.353 119.800 0.010 0.000 2.002 7 Q HA -0.204 4.137 4.340 0.001 0.000 0.204 7 Q C 2.442 178.451 176.000 0.016 0.000 0.988 7 Q CA 2.241 58.052 55.803 0.014 0.000 0.843 7 Q CB -0.081 28.663 28.738 0.011 0.000 0.908 7 Q HN 0.581 nan 8.270 nan 0.000 0.420 8 Q N 0.010 119.812 119.800 0.004 0.000 2.050 8 Q HA -0.222 4.118 4.340 0.001 0.000 0.202 8 Q C 2.171 178.173 176.000 0.004 0.000 0.980 8 Q CA 1.373 57.172 55.803 -0.006 0.000 0.840 8 Q CB -0.028 28.696 28.738 -0.024 0.000 0.898 8 Q HN 0.409 nan 8.270 nan 0.000 0.424 9 Q N 0.341 120.145 119.800 0.006 0.000 1.985 9 Q HA -0.249 4.092 4.340 0.001 0.000 0.207 9 Q C 2.190 178.208 176.000 0.031 0.000 0.996 9 Q CA 2.008 57.819 55.803 0.013 0.000 0.851 9 Q CB -0.351 28.392 28.738 0.009 0.000 0.921 9 Q HN 0.360 nan 8.270 nan 0.000 0.418 10 R N 0.666 121.186 120.500 0.033 0.000 2.103 10 R HA -0.238 4.103 4.340 0.001 0.000 0.242 10 R C 1.954 178.298 176.300 0.072 0.000 1.142 10 R CA 2.032 58.158 56.100 0.043 0.000 0.960 10 R CB -0.427 29.894 30.300 0.035 0.000 0.858 10 R HN 0.326 nan 8.270 nan 0.000 0.439 11 Q N 0.273 120.123 119.800 0.082 0.000 2.079 11 Q HA -0.076 4.264 4.340 0.001 0.000 0.200 11 Q C 1.885 178.018 176.000 0.222 0.000 0.974 11 Q CA 1.506 57.398 55.803 0.149 0.000 0.840 11 Q CB -0.097 28.712 28.738 0.117 0.000 0.898 11 Q HN 0.500 nan 8.270 nan 0.000 0.430 12 N N 0.939 119.704 118.700 0.109 0.000 2.058 12 N HA -0.144 4.597 4.740 0.001 0.000 0.191 12 N C 1.924 177.534 175.510 0.166 0.000 1.037 12 N CA 1.110 54.215 53.050 0.093 0.000 0.848 12 N CB -0.320 38.175 38.487 0.013 0.000 1.021 12 N HN 0.231 nan 8.380 nan 0.000 0.422 13 I N 1.542 122.178 120.570 0.110 0.000 2.068 13 I HA -0.341 3.830 4.170 0.001 0.000 0.238 13 I C 2.472 178.656 176.117 0.112 0.000 1.046 13 I CA 1.404 62.760 61.300 0.092 0.000 1.306 13 I CB -0.317 37.719 38.000 0.060 0.000 1.023 13 I HN 0.131 nan 8.210 nan 0.000 0.399 14 R N -0.479 120.088 120.500 0.112 0.000 2.133 14 R HA -0.251 4.090 4.340 0.001 0.000 0.247 14 R C 2.066 178.382 176.300 0.027 0.000 1.151 14 R CA 2.164 58.297 56.100 0.055 0.000 0.971 14 R CB -0.439 29.884 30.300 0.039 0.000 0.866 14 R HN 0.437 nan 8.270 nan 0.000 0.447 15 W N 0.517 121.813 121.300 -0.007 0.000 2.467 15 W HA -0.010 4.651 4.660 0.001 0.000 0.275 15 W C 1.878 178.394 176.519 -0.006 0.000 1.239 15 W CA 0.671 58.012 57.345 -0.008 0.000 1.266 15 W CB -0.189 29.263 29.460 -0.013 0.000 1.112 15 W HN 0.035 nan 8.180 nan 0.000 0.576 16 L N -0.863 120.480 121.223 0.199 0.000 2.109 16 L HA -0.209 4.132 4.340 0.001 0.000 0.207 16 L C 2.367 179.274 176.870 0.063 0.000 1.086 16 L CA 0.478 55.388 54.840 0.118 0.000 0.760 16 L CB -0.918 41.194 42.059 0.089 0.000 0.910 16 L HN -0.030 nan 8.230 nan 0.000 0.437 17 L N -0.176 121.070 121.223 0.039 0.000 1.955 17 L HA -0.213 4.128 4.340 0.001 0.000 0.213 17 L C 2.680 179.537 176.870 -0.021 0.000 1.072 17 L CA 1.993 56.836 54.840 0.006 0.000 0.755 17 L CB -1.112 40.942 42.059 -0.008 0.000 0.888 17 L HN 0.258 nan 8.230 nan 0.000 0.432 18 S N -0.200 115.457 115.700 -0.072 0.000 2.419 18 S HA -0.152 4.318 4.470 0.001 0.000 0.235 18 S C 2.001 176.557 174.600 -0.073 0.000 1.019 18 S CA 0.934 59.060 58.200 -0.123 0.000 0.982 18 S CB -0.162 62.867 63.200 -0.286 0.000 0.789 18 S HN 0.333 nan 8.310 nan 0.000 0.490 19 L N 1.267 122.483 121.223 -0.010 0.000 2.162 19 L HA -0.044 4.297 4.340 0.001 0.000 0.205 19 L C 2.712 179.598 176.870 0.025 0.000 1.086 19 L CA 1.200 56.059 54.840 0.032 0.000 0.778 19 L CB -0.475 41.641 42.059 0.096 0.000 0.928 19 L HN 0.431 nan 8.230 nan 0.000 0.446 20 S N -1.121 114.594 115.700 0.025 0.000 2.371 20 S HA -0.114 4.357 4.470 0.001 0.000 0.224 20 S C 1.913 176.523 174.600 0.017 0.000 1.029 20 S CA 0.801 59.016 58.200 0.025 0.000 0.978 20 S CB -0.680 62.538 63.200 0.029 0.000 0.833 20 S HN 0.116 nan 8.310 nan 0.000 0.466 21 V N 2.162 122.079 119.914 0.005 0.000 2.287 21 V HA -0.033 4.088 4.120 0.001 0.000 0.248 21 V C 1.873 177.968 176.094 0.001 0.000 1.053 21 V CA 1.469 63.770 62.300 0.001 0.000 1.027 21 V CB -0.805 31.007 31.823 -0.017 0.000 0.646 21 V HN 0.542 nan 8.190 nan 0.000 0.447 25 L N 0.389 121.635 121.223 0.038 0.000 2.131 25 L HA -0.101 4.240 4.340 0.001 0.000 0.210 25 L C 2.446 179.341 176.870 0.040 0.000 1.092 25 L CA 1.504 56.370 54.840 0.043 0.000 0.759 25 L CB -0.544 41.534 42.059 0.030 0.000 0.903 25 L HN 0.402 nan 8.230 nan 0.000 0.435 26 A N -0.357 122.476 122.820 0.022 0.000 2.066 26 A HA -0.068 4.253 4.320 0.001 0.000 0.218 26 A C 2.274 179.856 177.584 -0.004 0.000 1.157 26 A CA 0.766 52.807 52.037 0.007 0.000 0.670 26 A CB -0.301 18.695 19.000 -0.007 0.000 0.804 26 A HN 0.321 nan 8.150 nan 0.000 0.453 27 L N -0.425 120.802 121.223 0.007 0.000 1.988 27 L HA -0.145 4.195 4.340 0.001 0.000 0.207 27 L C 2.509 179.385 176.870 0.010 0.000 1.071 27 L CA 1.295 56.133 54.840 -0.005 0.000 0.744 27 L CB -0.391 41.681 42.059 0.022 0.000 0.893 27 L HN 0.410 nan 8.230 nan 0.000 0.433 28 L N -0.709 120.562 121.223 0.080 0.000 2.042 28 L HA -0.305 4.036 4.340 0.001 0.000 0.210 28 L C 2.551 179.473 176.870 0.086 0.000 1.076 28 L CA 1.218 56.153 54.840 0.159 0.000 0.749 28 L CB -0.639 41.528 42.059 0.180 0.000 0.893 28 L HN 0.345 nan 8.230 nan 0.000 0.432 29 L N 0.106 121.363 121.223 0.057 0.000 2.012 29 L HA -0.227 4.114 4.340 0.001 0.000 0.210 29 L C 2.862 179.725 176.870 -0.013 0.000 1.073 29 L CA 1.996 56.866 54.840 0.050 0.000 0.748 29 L CB -0.188 41.907 42.059 0.061 0.000 0.891 29 L HN 0.463 nan 8.230 nan 0.000 0.431 30 S N -1.132 114.538 115.700 -0.050 0.000 2.489 30 S HA -0.086 4.385 4.470 0.001 0.000 0.228 30 S C 1.887 176.394 174.600 -0.155 0.000 0.995 30 S CA 0.284 58.429 58.200 -0.093 0.000 0.934 30 S CB -0.358 62.776 63.200 -0.111 0.000 0.771 30 S HN 0.403 nan 8.310 nan 0.000 0.522 31 L N 1.903 123.022 121.223 -0.172 0.000 2.141 31 L HA 0.037 4.378 4.340 0.001 0.000 0.209 31 L C 0.846 177.551 176.870 -0.274 0.000 1.094 31 L CA 1.214 55.877 54.840 -0.294 0.000 0.763 31 L CB -0.291 41.581 42.059 -0.313 0.000 0.908 31 L HN 0.558 nan 8.230 nan 0.000 0.437 32 S N -0.980 114.561 115.700 -0.265 0.000 2.158 32 S HA 0.620 5.091 4.470 0.001 0.000 0.160 32 S C -0.076 174.165 174.600 -0.599 0.000 1.693 32 S CA -0.768 57.119 58.200 -0.521 0.000 1.251 32 S CB 0.986 63.655 63.200 -0.884 0.000 1.153 32 S HN 0.137 nan 8.310 nan 0.000 0.439 33 A N 1.728 124.382 122.820 -0.277 0.000 2.346 33 A HA 0.676 4.997 4.320 0.001 0.000 0.255 33 A C 1.559 179.165 177.584 0.035 0.000 1.113 33 A CA -0.068 51.916 52.037 -0.089 0.000 0.798 33 A CB -0.589 18.389 19.000 -0.036 0.000 1.073 33 A HN 1.144 nan 8.150 nan 0.000 0.502 34 G N -1.128 107.753 108.800 0.134 0.000 2.509 34 G HA2 -0.049 3.912 3.960 0.001 0.000 0.218 34 G HA3 -0.049 3.912 3.960 0.001 0.000 0.218 34 G C 0.980 175.956 174.900 0.126 0.000 1.124 34 G CA 1.222 46.428 45.100 0.177 0.000 0.776 34 G HN 0.799 nan 8.290 nan 0.000 0.547 35 E N -0.783 119.474 120.200 0.096 0.000 2.107 35 E HA 0.069 4.419 4.350 0.001 0.000 0.191 35 E C 1.306 177.953 176.600 0.077 0.000 0.982 35 E CA 0.638 57.093 56.400 0.091 0.000 0.809 35 E CB 0.194 29.961 29.700 0.111 0.000 0.756 35 E HN 0.474 nan 8.360 nan 0.000 0.459 36 Q N -0.442 119.388 119.800 0.050 0.000 3.025 36 Q HA 0.104 4.445 4.340 0.001 0.000 0.216 36 Q C -1.721 174.266 176.000 -0.021 0.000 0.828 36 Q CA -0.412 55.380 55.803 -0.017 0.000 0.806 36 Q CB 0.158 28.791 28.738 -0.176 0.000 1.423 36 Q HN 0.143 nan 8.270 nan 0.000 0.455 37 W N 4.134 125.394 121.300 -0.067 0.000 2.274 37 W HA 0.193 4.853 4.660 0.001 0.000 0.345 37 W C -0.257 176.222 176.519 -0.067 0.000 1.265 37 W CA 0.825 58.139 57.345 -0.052 0.000 1.293 37 W CB 0.465 29.900 29.460 -0.041 0.000 1.175 37 W HN 0.496 nan 8.180 nan 0.000 0.577 38 I N 4.953 125.266 120.570 -0.429 0.000 2.560 38 I HA 0.037 4.208 4.170 0.001 0.000 0.283 38 I C -0.161 175.658 176.117 -0.497 0.000 1.115 38 I CA -0.663 60.471 61.300 -0.276 0.000 1.066 38 I CB 1.151 39.037 38.000 -0.191 0.000 1.221 38 I HN 0.142 nan 8.210 nan 0.000 0.450 39 S N 7.066 122.658 115.700 -0.180 0.000 2.584 39 S HA 0.129 4.600 4.470 0.001 0.000 0.270 39 S C -1.233 172.959 174.600 -0.679 0.000 1.346 39 S CA -0.718 57.349 58.200 -0.221 0.000 1.018 39 S CB 0.523 63.766 63.200 0.072 0.000 0.899 39 S HN 0.522 nan 8.310 nan 0.000 0.542 40 P HA -0.046 nan 4.420 nan 0.000 0.228 40 P C 1.167 178.048 177.300 -0.699 0.000 1.151 40 P CA 0.894 62.892 63.100 -1.836 0.000 0.770 40 P CB -0.254 30.509 31.700 -1.561 0.000 0.786 41 G N -0.123 108.477 108.800 -0.332 0.000 2.650 41 G HA2 -0.099 3.862 3.960 0.001 0.000 0.214 41 G HA3 -0.099 3.862 3.960 0.001 0.000 0.214 41 G C 0.858 175.781 174.900 0.039 0.000 1.136 41 G CA 0.288 45.347 45.100 -0.068 0.000 0.789 41 G HN 0.209 nan 8.290 nan 0.000 0.536 42 D N -0.965 119.429 120.400 -0.010 0.000 2.538 42 D HA 0.067 4.707 4.640 0.001 0.000 0.231 42 D C 0.853 177.263 176.300 0.182 0.000 1.229 42 D CA -0.539 53.515 54.000 0.089 0.000 0.828 42 D CB 0.117 40.938 40.800 0.036 0.000 1.035 42 D HN 0.228 nan 8.370 nan 0.000 0.495 43 W N -0.116 121.180 121.300 -0.005 0.000 2.465 43 W HA 0.015 4.676 4.660 0.001 0.000 0.268 43 W C 1.147 177.566 176.519 -0.166 0.000 1.242 43 W CA 0.252 57.476 57.345 -0.202 0.000 1.248 43 W CB -0.516 28.785 29.460 -0.266 0.000 1.118 43 W HN 0.033 nan 8.180 nan 0.000 0.587 44 F N -0.704 119.525 119.950 0.466 0.000 2.664 44 F HA 0.162 4.689 4.527 0.001 0.000 0.303 44 F C 1.044 176.984 175.800 0.234 0.000 1.092 44 F CA 0.179 58.399 58.000 0.367 0.000 1.305 44 F CB -0.670 38.490 39.000 0.266 0.000 1.054 44 F HN -0.488 nan 8.300 nan 0.000 0.565 45 T N 2.364 117.099 114.554 0.301 0.000 2.919 45 T HA 0.050 4.400 4.350 0.001 0.000 0.302 45 T C -1.472 173.335 174.700 0.178 0.000 1.031 45 T CA -0.896 61.323 62.100 0.199 0.000 1.127 45 T CB 1.197 70.144 68.868 0.132 0.000 0.952 45 T HN -0.124 nan 8.240 nan 0.000 0.540 46 P HA -0.081 nan 4.420 nan 0.000 0.220 46 P C 1.386 178.776 177.300 0.150 0.000 1.144 46 P CA 0.950 64.140 63.100 0.150 0.000 0.800 46 P CB 0.169 31.941 31.700 0.120 0.000 0.772 47 R N -1.421 119.140 120.500 0.103 0.000 2.090 47 R HA 0.032 4.373 4.340 0.001 0.000 0.228 47 R C 2.404 178.710 176.300 0.009 0.000 1.110 47 R CA 1.599 57.722 56.100 0.038 0.000 0.973 47 R CB -1.051 29.226 30.300 -0.039 0.000 0.869 47 R HN 0.261 nan 8.270 nan 0.000 0.440 48 G N 0.560 109.384 108.800 0.040 0.000 2.490 48 G HA2 -0.199 3.762 3.960 0.001 0.000 0.211 48 G HA3 -0.199 3.762 3.960 0.001 0.000 0.211 48 G C 1.155 176.090 174.900 0.059 0.000 1.159 48 G CA -0.047 45.053 45.100 0.000 0.000 0.819 48 G HN 0.301 nan 8.290 nan 0.000 0.539 49 E N -0.043 120.262 120.200 0.174 0.000 2.301 49 E HA -0.166 4.185 4.350 0.001 0.000 0.202 49 E C 2.078 178.840 176.600 0.270 0.000 1.017 49 E CA 0.855 57.447 56.400 0.321 0.000 0.831 49 E CB -0.112 29.768 29.700 0.300 0.000 0.742 49 E HN 0.503 nan 8.360 nan 0.000 0.491 50 L N -1.172 120.200 121.223 0.249 0.000 2.189 50 L HA 0.024 4.365 4.340 0.001 0.000 0.199 50 L C 2.049 178.980 176.870 0.102 0.000 1.074 50 L CA 0.190 55.144 54.840 0.189 0.000 0.783 50 L CB -0.392 41.779 42.059 0.188 0.000 0.955 50 L HN 0.081 nan 8.230 nan 0.000 0.460 51 F N 0.011 119.925 119.950 -0.059 0.000 2.060 51 F HA -0.145 4.383 4.527 0.001 0.000 0.295 51 F C 2.453 178.116 175.800 -0.229 0.000 1.120 51 F CA 1.160 59.089 58.000 -0.118 0.000 1.205 51 F CB -1.135 37.792 39.000 -0.122 0.000 0.986 51 F HN -0.273 nan 8.300 nan 0.000 0.470 52 V N -1.406 118.404 119.914 -0.173 0.000 2.261 52 V HA -0.302 3.819 4.120 0.001 0.000 0.246 52 V C 1.933 177.631 176.094 -0.660 0.000 1.047 52 V CA 1.899 63.800 62.300 -0.665 0.000 1.015 52 V CB -0.936 30.136 31.823 -1.252 0.000 0.642 52 V HN 0.452 nan 8.190 nan 0.000 0.446 53 W N -0.861 120.383 121.300 -0.094 0.000 2.812 53 W HA 0.097 4.758 4.660 0.001 0.000 0.263 53 W C 2.356 179.032 176.519 0.261 0.000 1.284 53 W CA -0.028 57.332 57.345 0.025 0.000 1.430 53 W CB 0.127 29.573 29.460 -0.023 0.000 1.088 53 W HN 0.159 nan 8.180 nan 0.000 0.623 54 Q N -0.423 119.585 119.800 0.346 0.000 2.247 54 Q HA 0.206 4.546 4.340 0.001 0.000 0.211 54 Q C 1.448 177.498 176.000 0.084 0.000 0.861 54 Q CA 0.422 56.438 55.803 0.354 0.000 0.949 54 Q CB 0.733 29.609 28.738 0.231 0.000 1.115 54 Q HN 0.407 nan 8.270 nan 0.000 0.507 55 I N -1.525 119.013 120.570 -0.053 0.000 3.814 55 I HA 0.000 4.171 4.170 0.001 0.000 0.264 55 I C 1.763 177.747 176.117 -0.222 0.000 1.145 55 I CA -0.051 61.151 61.300 -0.164 0.000 1.375 55 I CB 0.387 38.282 38.000 -0.175 0.000 1.638 55 I HN -0.071 nan 8.210 nan 0.000 0.432 56 R N 0.718 121.092 120.500 -0.209 0.000 2.066 56 R HA -0.125 4.216 4.340 0.001 0.000 0.232 56 R C 2.149 178.276 176.300 -0.289 0.000 1.131 56 R CA 1.367 57.322 56.100 -0.241 0.000 0.955 56 R CB -0.459 29.684 30.300 -0.263 0.000 0.851 56 R HN 0.171 nan 8.270 nan 0.000 0.432 57 L N 2.095 123.142 121.223 -0.293 0.000 1.971 57 L HA -0.119 4.222 4.340 0.001 0.000 0.215 57 L C -0.949 175.692 176.870 -0.382 0.000 1.072 57 L CA 2.062 56.769 54.840 -0.221 0.000 0.758 57 L CB -1.006 41.113 42.059 0.101 0.000 0.889 57 L HN 0.073 nan 8.230 nan 0.000 0.433 58 P HA -0.242 nan 4.420 nan 0.000 0.216 58 P C 1.566 178.533 177.300 -0.554 0.000 1.150 58 P CA 1.722 64.111 63.100 -1.185 0.000 0.837 58 P CB -0.197 30.355 31.700 -1.913 0.000 0.786 59 R N -0.179 120.080 120.500 -0.401 0.000 2.070 59 R HA -0.084 4.257 4.340 0.001 0.000 0.232 59 R C 2.321 178.466 176.300 -0.259 0.000 1.138 59 R CA 2.393 58.348 56.100 -0.243 0.000 0.936 59 R CB -1.159 29.029 30.300 -0.186 0.000 0.839 59 R HN 0.032 nan 8.270 nan 0.000 0.429 60 T N 1.924 116.322 114.554 -0.259 0.000 2.685 60 T HA -0.211 4.139 4.350 0.001 0.000 0.268 60 T C 1.765 176.342 174.700 -0.205 0.000 1.034 60 T CA 1.601 63.559 62.100 -0.237 0.000 1.149 60 T CB -0.247 68.503 68.868 -0.196 0.000 0.860 60 T HN 0.220 nan 8.240 nan 0.000 0.449 61 L N 0.189 121.305 121.223 -0.178 0.000 2.046 61 L HA -0.112 4.229 4.340 0.001 0.000 0.208 61 L C 2.781 179.594 176.870 -0.096 0.000 1.077 61 L CA 1.376 56.153 54.840 -0.106 0.000 0.747 61 L CB -0.478 41.536 42.059 -0.074 0.000 0.896 61 L HN 0.294 nan 8.230 nan 0.000 0.432 62 A N -1.145 121.603 122.820 -0.119 0.000 1.929 62 A HA -0.125 4.196 4.320 0.001 0.000 0.216 62 A C 2.163 179.712 177.584 -0.058 0.000 1.176 62 A CA 1.441 53.460 52.037 -0.029 0.000 0.628 62 A CB -0.650 18.380 19.000 0.051 0.000 0.816 62 A HN 0.267 nan 8.150 nan 0.000 0.444 63 V N 0.146 119.833 119.914 -0.379 0.000 2.427 63 V HA -0.228 3.893 4.120 0.001 0.000 0.248 63 V C 2.525 178.448 176.094 -0.286 0.000 1.051 63 V CA 1.764 63.625 62.300 -0.733 0.000 1.048 63 V CB -0.674 30.610 31.823 -0.898 0.000 0.666 63 V HN 0.557 nan 8.190 nan 0.000 0.456 64 L N -0.900 120.217 121.223 -0.177 0.000 2.027 64 L HA -0.155 4.186 4.340 0.001 0.000 0.206 64 L C 2.405 179.261 176.870 -0.024 0.000 1.074 64 L CA 1.512 56.302 54.840 -0.082 0.000 0.745 64 L CB -0.483 41.543 42.059 -0.056 0.000 0.898 64 L HN 0.288 nan 8.230 nan 0.000 0.433 65 L N -1.013 120.206 121.223 -0.006 0.000 2.046 65 L HA -0.202 4.139 4.340 0.001 0.000 0.208 65 L C 2.516 179.416 176.870 0.051 0.000 1.077 65 L CA 0.923 55.783 54.840 0.032 0.000 0.747 65 L CB -0.551 41.530 42.059 0.036 0.000 0.896 65 L HN 0.074 nan 8.230 nan 0.000 0.432 66 V N 0.106 120.065 119.914 0.074 0.000 2.427 66 V HA -0.166 3.955 4.120 0.001 0.000 0.248 66 V C 2.604 178.755 176.094 0.094 0.000 1.051 66 V CA 1.840 64.209 62.300 0.114 0.000 1.048 66 V CB -1.069 30.912 31.823 0.263 0.000 0.666 66 V HN 0.558 nan 8.190 nan 0.000 0.456 67 G N -0.066 108.770 108.800 0.059 0.000 2.480 67 G HA2 -0.271 3.689 3.960 0.001 0.000 0.216 67 G HA3 -0.271 3.689 3.960 0.001 0.000 0.216 67 G C 1.805 176.734 174.900 0.049 0.000 1.200 67 G CA 1.178 46.304 45.100 0.044 0.000 0.782 67 G HN 0.599 nan 8.290 nan 0.000 0.554 68 A N 1.091 123.937 122.820 0.043 0.000 1.908 68 A HA 0.191 4.512 4.320 0.001 0.000 0.218 68 A C 2.836 180.458 177.584 0.063 0.000 1.181 68 A CA 2.533 54.600 52.037 0.051 0.000 0.627 68 A CB -0.865 18.164 19.000 0.049 0.000 0.818 68 A HN 0.908 nan 8.150 nan 0.000 0.445 69 A N -0.196 122.665 122.820 0.069 0.000 1.877 69 A HA -0.065 4.256 4.320 0.001 0.000 0.216 69 A C 2.192 179.820 177.584 0.073 0.000 1.186 69 A CA 1.545 53.630 52.037 0.081 0.000 0.620 69 A CB -0.647 18.400 19.000 0.079 0.000 0.822 69 A HN 0.483 nan 8.150 nan 0.000 0.443 70 L N -0.829 120.432 121.223 0.063 0.000 2.017 70 L HA -0.223 4.118 4.340 0.001 0.000 0.208 70 L C 3.156 180.058 176.870 0.053 0.000 1.073 70 L CA 1.191 56.063 54.840 0.053 0.000 0.745 70 L CB -0.744 41.348 42.059 0.054 0.000 0.894 70 L HN 0.458 nan 8.230 nan 0.000 0.432 71 A N 0.457 123.312 122.820 0.058 0.000 1.865 71 A HA -0.222 4.099 4.320 0.001 0.000 0.217 71 A C 2.224 179.844 177.584 0.060 0.000 1.191 71 A CA 1.788 53.859 52.037 0.057 0.000 0.623 71 A CB -0.773 18.261 19.000 0.056 0.000 0.826 71 A HN 0.346 nan 8.150 nan 0.000 0.444 72 I N -0.159 120.451 120.570 0.065 0.000 2.208 72 I HA -0.252 3.919 4.170 0.001 0.000 0.245 72 I C 2.688 178.855 176.117 0.084 0.000 1.097 72 I CA 1.538 62.882 61.300 0.073 0.000 1.363 72 I CB -0.276 37.772 38.000 0.079 0.000 1.051 72 I HN 0.253 nan 8.210 nan 0.000 0.413 73 S N 0.658 116.409 115.700 0.085 0.000 2.383 73 S HA -0.156 4.315 4.470 0.001 0.000 0.229 73 S C 2.076 176.725 174.600 0.082 0.000 1.030 73 S CA 1.360 59.614 58.200 0.090 0.000 1.002 73 S CB -0.756 62.491 63.200 0.078 0.000 0.829 73 S HN 0.670 nan 8.310 nan 0.000 0.467 74 G N 1.523 110.360 108.800 0.063 0.000 2.453 74 G HA2 -0.101 3.860 3.960 0.001 0.000 0.215 74 G HA3 -0.101 3.860 3.960 0.001 0.000 0.215 74 G C 1.608 176.557 174.900 0.081 0.000 1.201 74 G CA 0.919 46.051 45.100 0.054 0.000 0.784 74 G HN 0.589 nan 8.290 nan 0.000 0.545 75 A N -0.102 122.768 122.820 0.084 0.000 1.978 75 A HA 0.200 4.520 4.320 0.001 0.000 0.220 75 A C 1.655 179.320 177.584 0.136 0.000 1.170 75 A CA 1.172 53.270 52.037 0.102 0.000 0.636 75 A CB -0.571 18.479 19.000 0.083 0.000 0.810 75 A HN 0.267 nan 8.150 nan 0.000 0.448 79 A N 0.599 123.509 122.820 0.150 0.000 1.903 79 A HA 0.015 4.336 4.320 0.001 0.000 0.213 79 A C 1.799 179.397 177.584 0.024 0.000 1.185 79 A CA 0.849 52.944 52.037 0.097 0.000 0.628 79 A CB -0.190 18.847 19.000 0.063 0.000 0.830 79 A HN 0.204 nan 8.150 nan 0.000 0.446 80 L N -1.710 119.518 121.223 0.007 0.000 2.131 80 L HA 0.024 4.364 4.340 0.001 0.000 0.210 80 L C 1.288 177.949 176.870 -0.348 0.000 1.092 80 L CA 1.754 56.490 54.840 -0.172 0.000 0.759 80 L CB -0.463 41.471 42.059 -0.207 0.000 0.903 80 L HN 0.416 nan 8.230 nan 0.000 0.435 81 F N -0.911 119.064 119.950 0.041 0.000 2.682 81 F HA 0.219 4.747 4.527 0.001 0.000 0.308 81 F C 0.692 176.512 175.800 0.033 0.000 1.093 81 F CA -0.521 57.502 58.000 0.038 0.000 1.244 81 F CB -0.069 38.951 39.000 0.033 0.000 1.052 81 F HN -0.043 nan 8.300 nan 0.000 0.573 82 E N 2.121 122.414 120.200 0.156 0.000 2.210 82 E HA -0.281 4.069 4.350 0.001 0.000 0.201 82 E C -0.578 176.092 176.600 0.117 0.000 1.339 82 E CA 0.181 56.648 56.400 0.112 0.000 0.699 82 E CB -1.282 28.464 29.700 0.077 0.000 1.126 82 E HN 0.301 nan 8.360 nan 0.000 0.355 83 N N 0.038 118.813 118.700 0.125 0.000 2.599 83 N HA 0.174 4.915 4.740 0.001 0.000 0.283 83 N C -2.409 173.137 175.510 0.060 0.000 1.160 83 N CA -1.858 51.241 53.050 0.082 0.000 0.869 83 N CB 1.530 40.065 38.487 0.080 0.000 1.448 83 N HN -0.262 nan 8.380 nan 0.000 0.535 84 P HA -0.052 nan 4.420 nan 0.000 0.219 84 P C -0.077 177.202 177.300 -0.035 0.000 1.144 84 P CA 1.254 64.354 63.100 -0.000 0.000 0.806 84 P CB 0.296 31.941 31.700 -0.092 0.000 0.771 85 L N -1.450 119.760 121.223 -0.022 0.000 2.502 85 L HA 0.603 4.944 4.340 0.001 0.000 0.247 85 L C -0.229 176.631 176.870 -0.018 0.000 1.180 85 L CA -0.744 54.101 54.840 0.009 0.000 0.956 85 L CB 0.759 42.873 42.059 0.092 0.000 1.282 85 L HN -0.179 nan 8.230 nan 0.000 0.470 86 A N 1.745 124.546 122.820 -0.032 0.000 2.408 86 A HA 0.729 5.050 4.320 0.001 0.000 0.295 86 A C -0.977 176.560 177.584 -0.077 0.000 1.040 86 A CA -0.431 51.558 52.037 -0.079 0.000 0.707 86 A CB 2.058 21.019 19.000 -0.066 0.000 1.235 86 A HN 0.513 nan 8.150 nan 0.000 0.418 87 E N 2.773 122.891 120.200 -0.137 0.000 2.343 87 E HA 0.572 4.923 4.350 0.001 0.000 0.270 87 E C -2.264 174.267 176.600 -0.115 0.000 0.895 87 E CA -2.033 54.293 56.400 -0.125 0.000 0.767 87 E CB 2.367 31.939 29.700 -0.214 0.000 1.248 87 E HN 0.247 nan 8.360 nan 0.000 0.440 88 P HA -0.005 nan 4.420 nan 0.000 0.225 88 P C 0.881 178.140 177.300 -0.068 0.000 1.148 88 P CA 1.158 64.233 63.100 -0.042 0.000 0.779 88 P CB 0.212 31.913 31.700 0.002 0.000 0.780 89 G N -0.392 108.346 108.800 -0.104 0.000 2.448 89 G HA2 -0.152 3.808 3.960 0.001 0.000 0.218 89 G HA3 -0.152 3.808 3.960 0.001 0.000 0.218 89 G C 1.220 176.047 174.900 -0.122 0.000 1.135 89 G CA 0.207 45.242 45.100 -0.108 0.000 0.784 89 G HN 0.256 nan 8.290 nan 0.000 0.543 90 L N -0.080 121.048 121.223 -0.158 0.000 2.599 90 L HA 0.271 4.611 4.340 0.001 0.000 0.230 90 L C 1.520 178.317 176.870 -0.123 0.000 1.141 90 L CA 0.220 54.967 54.840 -0.155 0.000 0.877 90 L CB -0.011 41.932 42.059 -0.193 0.000 1.009 90 L HN 0.193 nan 8.230 nan 0.000 0.447 91 L N -0.860 120.302 121.223 -0.102 0.000 3.014 91 L HA 0.366 4.706 4.340 0.001 0.000 0.263 91 L C 1.396 178.253 176.870 -0.022 0.000 1.207 91 L CA 0.193 54.989 54.840 -0.073 0.000 1.017 91 L CB 0.349 42.355 42.059 -0.088 0.000 1.360 91 L HN 0.304 nan 8.230 nan 0.000 0.560 92 G N 0.297 109.083 108.800 -0.023 0.000 2.189 92 G HA2 -0.332 3.629 3.960 0.001 0.000 0.267 92 G HA3 -0.332 3.629 3.960 0.001 0.000 0.267 92 G C 0.861 175.765 174.900 0.007 0.000 0.975 92 G CA 0.694 45.794 45.100 -0.000 0.000 0.644 92 G HN 0.148 nan 8.290 nan 0.000 0.537 93 V N 0.853 120.770 119.914 0.004 0.000 2.332 93 V HA -0.239 3.882 4.120 0.001 0.000 0.248 93 V C 2.836 178.930 176.094 -0.000 0.000 1.055 93 V CA 2.972 65.279 62.300 0.011 0.000 1.038 93 V CB -0.872 30.962 31.823 0.018 0.000 0.651 93 V HN 0.501 nan 8.190 nan 0.000 0.450 94 S N 0.462 116.156 115.700 -0.011 0.000 2.368 94 S HA -0.196 4.275 4.470 0.001 0.000 0.225 94 S C 1.777 176.377 174.600 -0.001 0.000 1.030 94 S CA 1.829 60.020 58.200 -0.015 0.000 0.999 94 S CB -0.621 62.566 63.200 -0.022 0.000 0.844 94 S HN 0.743 nan 8.310 nan 0.000 0.459 95 N N 1.154 119.859 118.700 0.008 0.000 2.166 95 N HA -0.080 4.660 4.740 0.001 0.000 0.186 95 N C 2.033 177.559 175.510 0.028 0.000 1.019 95 N CA 0.932 53.997 53.050 0.024 0.000 0.856 95 N CB -0.362 38.141 38.487 0.027 0.000 0.993 95 N HN 0.467 nan 8.380 nan 0.000 0.426 96 G N 1.246 110.058 108.800 0.021 0.000 2.422 96 G HA2 -0.179 3.781 3.960 0.001 0.000 0.218 96 G HA3 -0.179 3.781 3.960 0.001 0.000 0.218 96 G C 1.677 176.587 174.900 0.016 0.000 1.146 96 G CA 0.890 46.002 45.100 0.020 0.000 0.769 96 G HN 0.372 nan 8.290 nan 0.000 0.547 97 A N 1.072 123.896 122.820 0.006 0.000 1.845 97 A HA 0.126 4.447 4.320 0.001 0.000 0.215 97 A C 2.771 180.367 177.584 0.020 0.000 1.195 97 A CA 2.227 54.261 52.037 -0.005 0.000 0.616 97 A CB -1.299 17.682 19.000 -0.032 0.000 0.832 97 A HN 0.573 nan 8.150 nan 0.000 0.443 98 G N -0.626 108.197 108.800 0.038 0.000 2.469 98 G HA2 -0.165 3.795 3.960 0.001 0.000 0.219 98 G HA3 -0.165 3.795 3.960 0.001 0.000 0.219 98 G C 1.496 176.442 174.900 0.077 0.000 1.150 98 G CA 1.400 46.549 45.100 0.081 0.000 0.763 98 G HN 0.362 nan 8.290 nan 0.000 0.561 99 V N 1.466 121.412 119.914 0.053 0.000 2.407 99 V HA -0.062 4.059 4.120 0.001 0.000 0.248 99 V C 3.116 179.230 176.094 0.034 0.000 1.055 99 V CA 1.905 64.231 62.300 0.043 0.000 1.049 99 V CB -1.013 30.829 31.823 0.032 0.000 0.662 99 V HN 0.446 nan 8.190 nan 0.000 0.455 100 G N -0.363 108.455 108.800 0.030 0.000 2.418 100 G HA2 -0.200 3.761 3.960 0.001 0.000 0.217 100 G HA3 -0.200 3.761 3.960 0.001 0.000 0.217 100 G C 1.618 176.539 174.900 0.034 0.000 1.158 100 G CA 0.853 45.967 45.100 0.024 0.000 0.771 100 G HN 0.441 nan 8.290 nan 0.000 0.545 101 L N 0.105 121.362 121.223 0.057 0.000 1.994 101 L HA -0.055 4.286 4.340 0.001 0.000 0.208 101 L C 2.903 179.822 176.870 0.083 0.000 1.071 101 L CA 1.027 55.920 54.840 0.088 0.000 0.745 101 L CB -0.306 41.849 42.059 0.161 0.000 0.892 101 L HN 0.209 nan 8.230 nan 0.000 0.431 102 I N -0.525 120.091 120.570 0.076 0.000 2.226 102 I HA -0.284 3.886 4.170 0.001 0.000 0.245 102 I C 2.790 178.919 176.117 0.020 0.000 1.100 102 I CA 1.037 62.365 61.300 0.046 0.000 1.374 102 I CB -0.591 37.433 38.000 0.041 0.000 1.057 102 I HN 0.230 nan 8.210 nan 0.000 0.413 103 A N 1.080 123.908 122.820 0.014 0.000 1.917 103 A HA -0.241 4.079 4.320 0.001 0.000 0.219 103 A C 2.567 180.146 177.584 -0.007 0.000 1.182 103 A CA 2.223 54.257 52.037 -0.004 0.000 0.633 103 A CB -0.844 18.153 19.000 -0.005 0.000 0.819 103 A HN 0.456 nan 8.150 nan 0.000 0.448 104 A N -0.705 122.116 122.820 0.001 0.000 1.873 104 A HA 0.014 4.335 4.320 0.001 0.000 0.215 104 A C 2.220 179.794 177.584 -0.017 0.000 1.186 104 A CA 1.727 53.757 52.037 -0.012 0.000 0.616 104 A CB -1.062 17.931 19.000 -0.011 0.000 0.823 104 A HN 0.447 nan 8.150 nan 0.000 0.442 105 V N 0.327 120.240 119.914 -0.001 0.000 2.324 105 V HA -0.297 3.824 4.120 0.001 0.000 0.250 105 V C 2.553 178.638 176.094 -0.015 0.000 1.060 105 V CA 2.096 64.393 62.300 -0.005 0.000 1.042 105 V CB -0.809 31.021 31.823 0.012 0.000 0.650 105 V HN 0.542 nan 8.190 nan 0.000 0.450 106 L N -1.053 120.161 121.223 -0.015 0.000 1.993 106 L HA -0.096 4.245 4.340 0.001 0.000 0.206 106 L C 2.390 179.245 176.870 -0.025 0.000 1.074 106 L CA 1.414 56.242 54.840 -0.020 0.000 0.746 106 L CB -0.638 41.406 42.059 -0.025 0.000 0.896 106 L HN 0.240 nan 8.230 nan 0.000 0.435 107 L N -0.000 121.207 121.223 -0.026 0.000 2.189 107 L HA -0.176 4.164 4.340 0.001 0.000 0.214 107 L C 2.389 179.242 176.870 -0.028 0.000 1.097 107 L CA 1.271 56.095 54.840 -0.027 0.000 0.764 107 L CB -0.903 41.140 42.059 -0.026 0.000 0.900 107 L HN 0.389 nan 8.230 nan 0.000 0.436 108 G N -1.954 106.826 108.800 -0.032 0.000 2.603 108 G HA2 -0.054 3.907 3.960 0.001 0.000 0.214 108 G HA3 -0.054 3.907 3.960 0.001 0.000 0.214 108 G C 0.771 175.651 174.900 -0.034 0.000 1.140 108 G CA -0.004 45.072 45.100 -0.040 0.000 0.800 108 G HN 0.513 nan 8.290 nan 0.000 0.533 109 Q N -1.563 118.220 119.800 -0.029 0.000 2.494 109 Q HA -0.219 4.122 4.340 0.001 0.000 0.272 109 Q C 1.399 177.383 176.000 -0.026 0.000 1.145 109 Q CA 0.437 56.226 55.803 -0.024 0.000 0.943 109 Q CB -1.996 26.730 28.738 -0.021 0.000 1.338 109 Q HN 1.213 nan 8.270 nan 0.000 0.492 110 G N -0.560 108.221 108.800 -0.030 0.000 2.225 110 G HA2 -0.392 3.569 3.960 0.001 0.000 0.254 110 G HA3 -0.392 3.569 3.960 0.001 0.000 0.254 110 G C 0.556 175.431 174.900 -0.041 0.000 0.988 110 G CA 0.533 45.614 45.100 -0.031 0.000 0.625 110 G HN 0.444 nan 8.290 nan 0.000 0.527 111 Q N -0.222 119.551 119.800 -0.045 0.000 2.488 111 Q HA 0.309 4.650 4.340 0.001 0.000 0.211 111 Q C 1.114 177.064 176.000 -0.084 0.000 0.967 111 Q CA 0.245 56.017 55.803 -0.051 0.000 0.926 111 Q CB 0.125 28.838 28.738 -0.040 0.000 0.992 111 Q HN 0.598 nan 8.270 nan 0.000 0.506 112 L N 2.918 124.075 121.223 -0.110 0.000 2.326 112 L HA 0.308 4.648 4.340 0.001 0.000 0.278 112 L C -1.855 174.867 176.870 -0.245 0.000 1.092 112 L CA -1.979 52.743 54.840 -0.196 0.000 0.810 112 L CB 0.458 42.401 42.059 -0.193 0.000 1.153 112 L HN -0.001 nan 8.230 nan 0.000 0.439 113 P HA 0.084 nan 4.420 nan 0.000 0.278 113 P C 0.208 177.204 177.300 -0.507 0.000 1.238 113 P CA -0.495 62.344 63.100 -0.436 0.000 0.794 113 P CB 1.000 32.381 31.700 -0.532 0.000 0.955 114 N N 2.470 121.035 118.700 -0.225 0.000 2.064 114 N HA -0.203 4.538 4.740 0.001 0.000 0.200 114 N C 1.773 177.264 175.510 -0.031 0.000 1.028 114 N CA 2.303 55.311 53.050 -0.069 0.000 0.880 114 N CB -0.517 38.009 38.487 0.065 0.000 1.062 114 N HN 0.675 nan 8.380 nan 0.000 0.454 115 W N 0.533 121.879 121.300 0.077 0.000 2.341 115 W HA -0.110 4.551 4.660 0.001 0.000 0.283 115 W C 1.821 178.378 176.519 0.062 0.000 1.215 115 W CA 0.914 58.304 57.345 0.076 0.000 1.211 115 W CB -1.027 28.257 29.460 -0.294 0.000 1.131 115 W HN 0.116 nan 8.180 nan 0.000 0.552 116 A N 1.594 124.064 122.820 -0.584 0.000 1.968 116 A HA -0.021 4.300 4.320 0.001 0.000 0.217 116 A C 2.307 179.824 177.584 -0.111 0.000 1.169 116 A CA 1.335 53.096 52.037 -0.460 0.000 0.638 116 A CB -0.895 17.566 19.000 -0.899 0.000 0.812 116 A HN 0.346 nan 8.150 nan 0.000 0.446 117 L N -0.858 120.308 121.223 -0.094 0.000 2.109 117 L HA -0.081 4.259 4.340 0.001 0.000 0.207 117 L C 2.814 179.718 176.870 0.056 0.000 1.086 117 L CA 1.060 55.898 54.840 -0.003 0.000 0.760 117 L CB -0.892 41.178 42.059 0.019 0.000 0.910 117 L HN 0.487 nan 8.230 nan 0.000 0.437 118 G N 0.360 109.245 108.800 0.141 0.000 2.418 118 G HA2 -0.217 3.744 3.960 0.001 0.000 0.217 118 G HA3 -0.217 3.744 3.960 0.001 0.000 0.217 118 G C 1.582 176.588 174.900 0.177 0.000 1.158 118 G CA 0.417 45.619 45.100 0.170 0.000 0.771 118 G HN 0.249 nan 8.290 nan 0.000 0.545 119 L N 0.992 122.392 121.223 0.295 0.000 2.465 119 L HA 0.013 4.354 4.340 0.001 0.000 0.224 119 L C 2.821 179.753 176.870 0.103 0.000 1.145 119 L CA 0.395 55.372 54.840 0.229 0.000 0.834 119 L CB 0.016 42.249 42.059 0.290 0.000 0.944 119 L HN 0.183 nan 8.230 nan 0.000 0.451 120 S N -0.242 115.500 115.700 0.070 0.000 2.388 120 S HA 0.015 4.486 4.470 0.001 0.000 0.223 120 S C 2.234 176.843 174.600 0.014 0.000 1.034 120 S CA 0.829 59.051 58.200 0.036 0.000 0.963 120 S CB 0.057 63.274 63.200 0.028 0.000 0.827 120 S HN 0.474 nan 8.310 nan 0.000 0.481 121 A N 1.914 124.732 122.820 -0.005 0.000 1.877 121 A HA -0.049 4.272 4.320 0.001 0.000 0.216 121 A C 2.029 179.578 177.584 -0.059 0.000 1.186 121 A CA 1.220 53.234 52.037 -0.037 0.000 0.620 121 A CB -0.800 18.150 19.000 -0.084 0.000 0.822 121 A HN 0.448 nan 8.150 nan 0.000 0.443 122 I N -0.183 120.334 120.570 -0.088 0.000 2.099 122 I HA -0.311 3.860 4.170 0.001 0.000 0.239 122 I C 3.013 179.099 176.117 -0.052 0.000 1.066 122 I CA 1.269 62.488 61.300 -0.136 0.000 1.324 122 I CB -0.506 37.363 38.000 -0.218 0.000 1.037 122 I HN 0.352 nan 8.210 nan 0.000 0.401 123 A N 0.963 123.780 122.820 -0.006 0.000 1.986 123 A HA -0.181 4.140 4.320 0.001 0.000 0.220 123 A C 2.395 179.989 177.584 0.016 0.000 1.171 123 A CA 2.104 54.156 52.037 0.025 0.000 0.640 123 A CB -1.500 17.524 19.000 0.039 0.000 0.811 123 A HN 0.531 nan 8.150 nan 0.000 0.451 124 G N -0.672 108.131 108.800 0.006 0.000 2.433 124 G HA2 0.018 3.979 3.960 0.001 0.000 0.216 124 G HA3 0.018 3.979 3.960 0.001 0.000 0.216 124 G C 1.770 176.674 174.900 0.007 0.000 1.186 124 G CA 1.410 46.514 45.100 0.007 0.000 0.779 124 G HN 0.826 nan 8.290 nan 0.000 0.543 125 A N 0.415 123.232 122.820 -0.004 0.000 1.930 125 A HA 0.137 4.458 4.320 0.001 0.000 0.217 125 A C 2.449 180.048 177.584 0.025 0.000 1.175 125 A CA 1.174 53.213 52.037 0.003 0.000 0.627 125 A CB -0.373 18.616 19.000 -0.019 0.000 0.815 125 A HN 0.353 nan 8.150 nan 0.000 0.443 126 L N -0.311 120.931 121.223 0.031 0.000 2.017 126 L HA -0.187 4.153 4.340 0.001 0.000 0.208 126 L C 2.436 179.332 176.870 0.042 0.000 1.073 126 L CA 0.840 55.715 54.840 0.059 0.000 0.745 126 L CB -0.527 41.579 42.059 0.079 0.000 0.894 126 L HN 0.307 nan 8.230 nan 0.000 0.432 127 I N 0.101 120.687 120.570 0.028 0.000 2.163 127 I HA -0.332 3.839 4.170 0.001 0.000 0.243 127 I C 2.564 178.686 176.117 0.009 0.000 1.085 127 I CA 1.878 63.186 61.300 0.013 0.000 1.347 127 I CB -0.717 37.288 38.000 0.007 0.000 1.044 127 I HN 0.251 nan 8.210 nan 0.000 0.408 128 I N 0.787 121.368 120.570 0.019 0.000 2.226 128 I HA -0.310 3.861 4.170 0.001 0.000 0.245 128 I C 2.631 178.772 176.117 0.039 0.000 1.100 128 I CA 2.049 63.366 61.300 0.027 0.000 1.374 128 I CB -0.541 37.480 38.000 0.035 0.000 1.057 128 I HN 0.366 nan 8.210 nan 0.000 0.413 129 T N -0.429 114.155 114.554 0.050 0.000 2.867 129 T HA -0.165 4.186 4.350 0.001 0.000 0.268 129 T C 1.833 176.561 174.700 0.046 0.000 1.057 129 T CA 0.713 62.854 62.100 0.069 0.000 1.136 129 T CB -0.606 68.311 68.868 0.082 0.000 0.874 129 T HN 0.204 nan 8.240 nan 0.000 0.466 130 L N 0.403 121.640 121.223 0.024 0.000 2.201 130 L HA 0.286 4.627 4.340 0.001 0.000 0.212 130 L C 2.172 179.015 176.870 -0.045 0.000 1.105 130 L CA 1.250 56.089 54.840 -0.002 0.000 0.775 130 L CB -0.425 41.633 42.059 -0.002 0.000 0.913 130 L HN 0.327 nan 8.230 nan 0.000 0.440 131 I N -1.830 118.701 120.570 -0.065 0.000 2.480 131 I HA -0.172 3.999 4.170 0.001 0.000 0.251 131 I C 2.115 178.112 176.117 -0.199 0.000 1.124 131 I CA 0.362 61.556 61.300 -0.177 0.000 1.444 131 I CB -0.175 37.726 38.000 -0.166 0.000 1.098 131 I HN 0.237 nan 8.210 nan 0.000 0.428 132 L N 0.882 122.099 121.223 -0.010 0.000 2.131 132 L HA -0.161 4.180 4.340 0.001 0.000 0.210 132 L C 2.184 179.132 176.870 0.130 0.000 1.092 132 L CA 1.842 56.765 54.840 0.138 0.000 0.759 132 L CB -0.435 41.727 42.059 0.171 0.000 0.903 132 L HN 0.163 nan 8.230 nan 0.000 0.435 133 L N -1.339 119.916 121.223 0.053 0.000 2.156 133 L HA -0.128 4.213 4.340 0.001 0.000 0.208 133 L C 2.659 179.545 176.870 0.027 0.000 1.095 133 L CA 0.822 55.693 54.840 0.052 0.000 0.770 133 L CB -0.426 41.650 42.059 0.030 0.000 0.914 133 L HN 0.228 nan 8.230 nan 0.000 0.439 134 R N -0.349 120.120 120.500 -0.052 0.000 2.075 134 R HA -0.120 4.221 4.340 0.001 0.000 0.232 134 R C 2.287 178.597 176.300 0.017 0.000 1.126 134 R CA 1.338 57.392 56.100 -0.077 0.000 0.963 134 R CB -0.432 29.754 30.300 -0.189 0.000 0.858 134 R HN 0.233 nan 8.270 nan 0.000 0.435 135 F N 0.682 120.640 119.950 0.014 0.000 2.250 135 F HA -0.225 4.303 4.527 0.001 0.000 0.301 135 F C 2.441 178.249 175.800 0.013 0.000 1.077 135 F CA 0.451 58.461 58.000 0.017 0.000 1.348 135 F CB -0.033 38.989 39.000 0.037 0.000 1.040 135 F HN 0.169 nan 8.300 nan 0.000 0.509 136 A N -0.044 122.899 122.820 0.205 0.000 2.123 136 A HA -0.040 4.280 4.320 0.001 0.000 0.214 136 A C 1.978 179.578 177.584 0.026 0.000 1.152 136 A CA 0.275 52.385 52.037 0.121 0.000 0.728 136 A CB -0.385 18.686 19.000 0.119 0.000 0.814 136 A HN 0.252 nan 8.150 nan 0.000 0.464 137 R N -0.065 120.424 120.500 -0.017 0.000 2.293 137 R HA -0.048 4.293 4.340 0.001 0.000 0.219 137 R C 1.384 177.467 176.300 -0.362 0.000 1.091 137 R CA 0.918 56.927 56.100 -0.152 0.000 1.004 137 R CB -0.178 30.065 30.300 -0.095 0.000 0.865 137 R HN 0.493 nan 8.270 nan 0.000 0.469 138 R N -0.034 120.350 120.500 -0.193 0.000 2.313 138 R HA 0.033 4.373 4.340 0.001 0.000 0.199 138 R C -0.321 175.898 176.300 -0.134 0.000 0.958 138 R CA 0.105 56.102 56.100 -0.172 0.000 1.047 138 R CB -0.067 30.228 30.300 -0.007 0.000 0.955 138 R HN 0.284 nan 8.270 nan 0.000 0.481 139 H N -0.565 118.536 119.070 0.052 0.000 2.880 139 H HA -0.120 4.437 4.556 0.001 0.000 0.304 139 H C -0.764 174.593 175.328 0.049 0.000 1.259 139 H CA 0.490 56.565 56.048 0.045 0.000 1.153 139 H CB -2.253 27.523 29.762 0.023 0.000 1.395 139 H HN 0.203 nan 8.280 nan 0.000 0.420 140 L N 0.853 122.149 121.223 0.121 0.000 2.261 140 L HA 0.222 4.563 4.340 0.001 0.000 0.289 140 L C 1.279 178.207 176.870 0.096 0.000 1.059 140 L CA -0.120 54.775 54.840 0.092 0.000 0.816 140 L CB 1.357 43.454 42.059 0.063 0.000 1.191 140 L HN 0.180 nan 8.230 nan 0.000 0.431 141 S N 2.071 117.823 115.700 0.087 0.000 2.537 141 S HA -0.110 4.361 4.470 0.001 0.000 0.280 141 S C 1.579 176.237 174.600 0.096 0.000 1.335 141 S CA 0.246 58.497 58.200 0.084 0.000 1.025 141 S CB 0.671 63.912 63.200 0.068 0.000 0.836 141 S HN 0.795 nan 8.310 nan 0.000 0.523 142 T N 3.498 118.111 114.554 0.098 0.000 2.564 142 T HA -0.254 4.096 4.350 0.001 0.000 0.264 142 T C 2.208 177.025 174.700 0.195 0.000 1.100 142 T CA 2.653 64.841 62.100 0.148 0.000 1.171 142 T CB -1.190 67.760 68.868 0.137 0.000 0.863 142 T HN 0.999 nan 8.240 nan 0.000 0.430 143 S N 1.932 117.711 115.700 0.133 0.000 2.409 143 S HA -0.297 4.174 4.470 0.001 0.000 0.237 143 S C 1.958 176.602 174.600 0.072 0.000 1.060 143 S CA 1.586 59.843 58.200 0.095 0.000 1.052 143 S CB -0.581 62.654 63.200 0.059 0.000 0.871 143 S HN 0.561 nan 8.310 nan 0.000 0.465 144 R N 0.635 121.178 120.500 0.070 0.000 2.093 144 R HA 0.252 4.593 4.340 0.001 0.000 0.224 144 R C 2.484 178.808 176.300 0.039 0.000 1.101 144 R CA 1.162 57.280 56.100 0.030 0.000 0.979 144 R CB -0.515 29.797 30.300 0.020 0.000 0.877 144 R HN 0.409 nan 8.270 nan 0.000 0.441 145 L N 0.458 121.763 121.223 0.136 0.000 2.056 145 L HA -0.165 4.176 4.340 0.001 0.000 0.207 145 L C 2.316 179.300 176.870 0.191 0.000 1.078 145 L CA 0.676 55.646 54.840 0.217 0.000 0.749 145 L CB -0.349 41.925 42.059 0.359 0.000 0.901 145 L HN 0.150 nan 8.230 nan 0.000 0.433 146 L N -0.257 121.074 121.223 0.180 0.000 2.127 146 L HA -0.229 4.112 4.340 0.001 0.000 0.211 146 L C 2.249 179.073 176.870 -0.077 0.000 1.089 146 L CA 1.667 56.450 54.840 -0.094 0.000 0.757 146 L CB -0.351 41.660 42.059 -0.079 0.000 0.899 146 L HN 0.143 nan 8.230 nan 0.000 0.434 147 L N -1.666 119.539 121.223 -0.030 0.000 2.023 147 L HA -0.121 4.220 4.340 0.001 0.000 0.205 147 L C 2.604 179.427 176.870 -0.077 0.000 1.073 147 L CA 1.088 55.895 54.840 -0.055 0.000 0.745 147 L CB -0.827 41.197 42.059 -0.057 0.000 0.900 147 L HN 0.282 nan 8.230 nan 0.000 0.435 148 A N 0.278 123.034 122.820 -0.106 0.000 1.940 148 A HA -0.145 4.175 4.320 0.001 0.000 0.219 148 A C 2.341 179.941 177.584 0.026 0.000 1.176 148 A CA 1.798 53.738 52.037 -0.162 0.000 0.631 148 A CB -1.203 17.603 19.000 -0.323 0.000 0.814 148 A HN 0.471 nan 8.150 nan 0.000 0.446 149 G N -0.591 108.232 108.800 0.039 0.000 2.404 149 G HA2 -0.094 3.866 3.960 0.001 0.000 0.215 149 G HA3 -0.094 3.866 3.960 0.001 0.000 0.215 149 G C 1.490 176.384 174.900 -0.010 0.000 1.174 149 G CA 1.179 46.298 45.100 0.032 0.000 0.780 149 G HN 0.322 nan 8.290 nan 0.000 0.537 150 V N 1.602 121.487 119.914 -0.048 0.000 2.407 150 V HA -0.136 3.985 4.120 0.001 0.000 0.248 150 V C 3.284 179.369 176.094 -0.015 0.000 1.055 150 V CA 1.962 64.235 62.300 -0.045 0.000 1.049 150 V CB -0.781 31.009 31.823 -0.057 0.000 0.662 150 V HN 0.481 nan 8.190 nan 0.000 0.455 151 A N -0.212 122.603 122.820 -0.008 0.000 1.898 151 A HA -0.106 4.214 4.320 0.001 0.000 0.216 151 A C 2.198 179.808 177.584 0.044 0.000 1.181 151 A CA 1.550 53.593 52.037 0.010 0.000 0.620 151 A CB -0.493 18.501 19.000 -0.010 0.000 0.819 151 A HN 0.491 nan 8.150 nan 0.000 0.442 152 L N -0.608 120.658 121.223 0.072 0.000 2.131 152 L HA -0.130 4.211 4.340 0.001 0.000 0.210 152 L C 2.760 179.663 176.870 0.055 0.000 1.092 152 L CA 0.954 55.848 54.840 0.090 0.000 0.759 152 L CB -0.714 41.419 42.059 0.123 0.000 0.903 152 L HN 0.511 nan 8.230 nan 0.000 0.435 153 G N 0.317 109.136 108.800 0.032 0.000 2.408 153 G HA2 -0.193 3.768 3.960 0.001 0.000 0.217 153 G HA3 -0.193 3.768 3.960 0.001 0.000 0.217 153 G C 1.568 176.484 174.900 0.025 0.000 1.150 153 G CA 0.541 45.652 45.100 0.017 0.000 0.776 153 G HN 0.305 nan 8.290 nan 0.000 0.542 154 I N 0.538 121.124 120.570 0.027 0.000 2.353 154 I HA -0.043 4.128 4.170 0.001 0.000 0.248 154 I C 2.519 178.668 176.117 0.053 0.000 1.119 154 I CA 0.562 61.882 61.300 0.034 0.000 1.417 154 I CB -0.153 37.863 38.000 0.027 0.000 1.078 154 I HN 0.131 nan 8.210 nan 0.000 0.421 155 I N 0.192 120.797 120.570 0.058 0.000 2.361 155 I HA -0.238 3.933 4.170 0.001 0.000 0.251 155 I C 2.512 178.674 176.117 0.076 0.000 1.133 155 I CA 1.108 62.451 61.300 0.072 0.000 1.413 155 I CB -0.333 37.708 38.000 0.068 0.000 1.073 155 I HN 0.151 nan 8.210 nan 0.000 0.424 156 S N 0.310 116.048 115.700 0.063 0.000 2.371 156 S HA -0.122 4.349 4.470 0.001 0.000 0.224 156 S C 2.223 176.869 174.600 0.076 0.000 1.029 156 S CA 1.470 59.706 58.200 0.061 0.000 0.978 156 S CB -0.102 63.125 63.200 0.046 0.000 0.833 156 S HN 0.380 nan 8.310 nan 0.000 0.466 157 S N 1.954 117.696 115.700 0.069 0.000 2.368 157 S HA -0.027 4.444 4.470 0.001 0.000 0.225 157 S C 2.281 176.940 174.600 0.099 0.000 1.030 157 S CA 0.941 59.184 58.200 0.071 0.000 0.999 157 S CB -0.539 62.691 63.200 0.050 0.000 0.844 157 S HN 0.593 nan 8.310 nan 0.000 0.459 158 A N 1.845 124.735 122.820 0.117 0.000 1.865 158 A HA 0.037 4.358 4.320 0.001 0.000 0.217 158 A C 1.227 179.010 177.584 0.332 0.000 1.191 158 A CA 0.913 53.056 52.037 0.176 0.000 0.623 158 A CB -0.835 18.279 19.000 0.190 0.000 0.826 158 A HN 0.403 nan 8.150 nan 0.000 0.444 162 W N 2.786 124.168 121.300 0.137 0.000 2.353 162 W HA 0.174 4.834 4.660 0.001 0.000 0.319 162 W C 2.809 179.506 176.519 0.296 0.000 1.207 162 W CA 1.547 59.020 57.345 0.215 0.000 1.291 162 W CB -0.683 28.806 29.460 0.049 0.000 1.159 162 W HN 0.382 nan 8.180 nan 0.000 0.478 163 A N -0.034 123.024 122.820 0.397 0.000 2.032 163 A HA -0.202 4.119 4.320 0.001 0.000 0.221 163 A C 1.872 179.615 177.584 0.265 0.000 1.165 163 A CA 1.849 54.041 52.037 0.259 0.000 0.645 163 A CB -0.913 18.175 19.000 0.146 0.000 0.807 163 A HN 0.369 nan 8.150 nan 0.000 0.453 164 I N -2.576 118.142 120.570 0.247 0.000 2.233 164 I HA -0.187 3.984 4.170 0.001 0.000 0.243 164 I C 2.363 178.596 176.117 0.194 0.000 1.093 164 I CA 1.268 62.670 61.300 0.170 0.000 1.380 164 I CB -0.367 37.707 38.000 0.124 0.000 1.067 164 I HN 0.477 nan 8.210 nan 0.000 0.413 165 Y N 1.007 121.390 120.300 0.137 0.000 2.384 165 Y HA -0.224 4.326 4.550 0.001 0.000 0.289 165 Y C 1.515 177.344 175.900 -0.118 0.000 1.152 165 Y CA 1.437 59.533 58.100 -0.007 0.000 1.258 165 Y CB -0.188 38.248 38.460 -0.040 0.000 0.979 165 Y HN 0.066 nan 8.280 nan 0.000 0.549 166 F N -0.676 119.285 119.950 0.019 0.000 2.639 166 F HA 0.208 4.736 4.527 0.001 0.000 0.302 166 F C 1.430 177.202 175.800 -0.048 0.000 1.097 166 F CA -0.075 57.898 58.000 -0.046 0.000 1.294 166 F CB -0.833 38.207 39.000 0.068 0.000 1.027 166 F HN -0.114 nan 8.300 nan 0.000 0.550 167 S N -0.764 114.988 115.700 0.086 0.000 2.641 167 S HA 0.353 4.824 4.470 0.001 0.000 0.251 167 S C 0.382 174.968 174.600 -0.024 0.000 1.332 167 S CA -0.248 57.968 58.200 0.028 0.000 0.968 167 S CB 0.683 63.885 63.200 0.004 0.000 0.987 167 S HN 0.099 nan 8.310 nan 0.000 0.587 168 T N 0.072 114.605 114.554 -0.036 0.000 2.883 168 T HA 0.447 4.797 4.350 0.001 0.000 0.296 168 T C 1.117 175.784 174.700 -0.054 0.000 1.117 168 T CA -0.194 61.877 62.100 -0.048 0.000 1.006 168 T CB 1.573 70.418 68.868 -0.038 0.000 1.191 168 T HN 0.667 nan 8.240 nan 0.000 0.508 169 S N 0.247 115.915 115.700 -0.053 0.000 2.400 169 S HA -0.156 4.314 4.470 0.001 0.000 0.234 169 S C 1.779 176.346 174.600 -0.056 0.000 1.049 169 S CA 2.132 60.302 58.200 -0.050 0.000 1.039 169 S CB -0.352 62.821 63.200 -0.044 0.000 0.856 169 S HN 0.477 nan 8.310 nan 0.000 0.465 170 V N 1.586 121.464 119.914 -0.060 0.000 2.326 170 V HA -0.040 4.081 4.120 0.001 0.000 0.238 170 V C 2.241 178.273 176.094 -0.104 0.000 1.038 170 V CA 1.634 63.888 62.300 -0.076 0.000 1.032 170 V CB -0.805 30.978 31.823 -0.067 0.000 0.675 170 V HN 0.407 nan 8.190 nan 0.000 0.467 171 D N 0.446 120.789 120.400 -0.094 0.000 2.149 171 D HA -0.221 4.420 4.640 0.001 0.000 0.194 171 D C 2.028 178.249 176.300 -0.131 0.000 1.001 171 D CA 1.529 55.459 54.000 -0.115 0.000 0.849 171 D CB -0.289 40.469 40.800 -0.068 0.000 0.939 171 D HN 0.282 nan 8.370 nan 0.000 0.449 172 L N 1.023 122.193 121.223 -0.088 0.000 2.079 172 L HA -0.167 4.173 4.340 0.001 0.000 0.210 172 L C 2.206 179.019 176.870 -0.094 0.000 1.081 172 L CA 1.558 56.353 54.840 -0.074 0.000 0.752 172 L CB -0.360 41.669 42.059 -0.050 0.000 0.896 172 L HN -0.160 nan 8.230 nan 0.000 0.433 173 R N -0.958 119.479 120.500 -0.106 0.000 2.189 173 R HA -0.072 4.268 4.340 0.001 0.000 0.218 173 R C 2.046 178.236 176.300 -0.183 0.000 1.074 173 R CA 1.083 57.123 56.100 -0.101 0.000 0.991 173 R CB -0.259 29.991 30.300 -0.084 0.000 0.883 173 R HN 0.471 nan 8.270 nan 0.000 0.457 174 Q N 0.273 119.883 119.800 -0.317 0.000 2.020 174 Q HA 0.001 4.342 4.340 0.001 0.000 0.198 174 Q C 0.972 176.526 176.000 -0.742 0.000 0.974 174 Q CA 0.765 56.163 55.803 -0.675 0.000 0.829 174 Q CB -0.438 27.880 28.738 -0.700 0.000 0.894 174 Q HN 0.326 nan 8.270 nan 0.000 0.433 182 G N -2.157 106.409 108.800 -0.390 0.000 2.326 182 G HA2 0.445 4.405 3.960 0.001 0.000 0.478 182 G HA3 0.445 4.405 3.960 0.001 0.000 0.478 182 G C -0.875 173.895 174.900 -0.216 0.000 1.551 182 G CA -0.487 44.480 45.100 -0.222 0.000 0.946 182 G HN 1.060 nan 8.290 nan 0.000 0.671 183 F N 2.425 122.356 119.950 -0.032 0.000 2.916 183 F HA 0.378 4.906 4.527 0.001 0.000 0.294 183 F C 2.003 177.812 175.800 0.016 0.000 1.189 183 F CA 0.225 58.207 58.000 -0.029 0.000 1.369 183 F CB 0.724 39.685 39.000 -0.065 0.000 0.961 183 F HN 0.717 nan 8.300 nan 0.000 0.508 184 G N 0.636 109.583 108.800 0.246 0.000 2.480 184 G HA2 -0.221 3.740 3.960 0.001 0.000 0.216 184 G HA3 -0.221 3.740 3.960 0.001 0.000 0.216 184 G C 1.905 176.858 174.900 0.087 0.000 1.200 184 G CA 0.833 46.055 45.100 0.203 0.000 0.782 184 G HN 0.524 nan 8.290 nan 0.000 0.554 185 G N -0.348 108.485 108.800 0.055 0.000 3.026 185 G HA2 0.296 4.257 3.960 0.001 0.000 0.208 185 G HA3 0.296 4.257 3.960 0.001 0.000 0.208 185 G C 0.365 175.258 174.900 -0.012 0.000 1.169 185 G CA -0.154 44.946 45.100 -0.001 0.000 0.788 185 G HN 0.316 nan 8.290 nan 0.000 0.533 186 V N 1.631 121.546 119.914 0.002 0.000 2.509 186 V HA 0.130 4.251 4.120 0.001 0.000 0.297 186 V C 0.047 176.087 176.094 -0.090 0.000 1.014 186 V CA 0.300 62.585 62.300 -0.025 0.000 1.127 186 V CB 0.857 32.699 31.823 0.032 0.000 0.925 186 V HN 0.357 nan 8.190 nan 0.000 0.480 187 D N 3.423 123.773 120.400 -0.084 0.000 2.570 187 D HA 0.166 4.806 4.640 0.001 0.000 0.244 187 D C 0.344 176.618 176.300 -0.043 0.000 1.178 187 D CA -0.682 53.259 54.000 -0.099 0.000 0.881 187 D CB 1.426 42.228 40.800 0.004 0.000 1.453 187 D HN 0.396 nan 8.370 nan 0.000 0.447 188 W N 1.200 122.528 121.300 0.046 0.000 2.361 188 W HA -0.096 4.565 4.660 0.001 0.000 0.270 188 W C 2.225 178.797 176.519 0.088 0.000 1.210 188 W CA 0.180 57.560 57.345 0.059 0.000 1.174 188 W CB 0.065 29.556 29.460 0.051 0.000 1.131 188 W HN 0.221 nan 8.180 nan 0.000 0.575 189 R N 0.047 120.718 120.500 0.286 0.000 2.237 189 R HA -0.121 4.220 4.340 0.001 0.000 0.219 189 R C 1.615 178.106 176.300 0.318 0.000 1.080 189 R CA 0.737 56.994 56.100 0.262 0.000 0.995 189 R CB -0.211 30.210 30.300 0.201 0.000 0.875 189 R HN 0.246 nan 8.270 nan 0.000 0.462 190 Q N -0.322 119.610 119.800 0.220 0.000 2.360 190 Q HA 0.136 4.476 4.340 0.001 0.000 0.202 190 Q C 1.471 177.512 176.000 0.069 0.000 0.915 190 Q CA 0.242 56.114 55.803 0.116 0.000 0.943 190 Q CB 0.668 29.398 28.738 -0.013 0.000 1.064 190 Q HN 0.150 nan 8.270 nan 0.000 0.511 191 S N 1.513 117.357 115.700 0.240 0.000 2.380 191 S HA -0.154 4.317 4.470 0.001 0.000 0.229 191 S C 1.484 176.196 174.600 0.186 0.000 1.043 191 S CA 1.510 59.858 58.200 0.246 0.000 1.038 191 S CB -0.415 62.982 63.200 0.329 0.000 0.872 191 S HN 0.733 nan 8.310 nan 0.000 0.456 192 W N 1.964 123.318 121.300 0.091 0.000 2.364 192 W HA 0.107 4.768 4.660 0.001 0.000 0.281 192 W C 0.578 177.141 176.519 0.072 0.000 1.219 192 W CA 0.250 57.638 57.345 0.071 0.000 1.220 192 W CB -1.155 28.331 29.460 0.043 0.000 1.127 192 W HN 0.203 nan 8.180 nan 0.000 0.556 196 A N 0.250 123.147 122.820 0.130 0.000 2.235 196 A HA 0.177 4.498 4.320 0.001 0.000 0.208 196 A C 1.907 179.686 177.584 0.325 0.000 1.172 196 A CA 0.881 53.066 52.037 0.248 0.000 0.786 196 A CB -0.201 18.957 19.000 0.263 0.000 0.804 196 A HN 0.364 nan 8.150 nan 0.000 0.479 197 L N -1.070 120.269 121.223 0.193 0.000 2.253 197 L HA 0.061 4.401 4.340 0.001 0.000 0.205 197 L C 2.209 179.187 176.870 0.180 0.000 1.078 197 L CA 0.396 55.358 54.840 0.204 0.000 0.805 197 L CB -0.323 41.802 42.059 0.110 0.000 0.963 197 L HN 0.336 nan 8.230 nan 0.000 0.459 198 I N 1.082 121.735 120.570 0.139 0.000 2.113 198 I HA -0.270 3.901 4.170 0.001 0.000 0.242 198 I C -0.195 176.000 176.117 0.129 0.000 1.064 198 I CA 1.808 63.181 61.300 0.121 0.000 1.320 198 I CB -1.776 36.286 38.000 0.103 0.000 1.028 198 I HN 0.250 nan 8.210 nan 0.000 0.406 199 P HA -0.130 nan 4.420 nan 0.000 0.215 199 P C 1.909 179.296 177.300 0.147 0.000 1.157 199 P CA 1.694 64.858 63.100 0.108 0.000 0.868 199 P CB -0.118 31.616 31.700 0.057 0.000 0.788 200 V N 0.220 120.220 119.914 0.143 0.000 2.358 200 V HA -0.201 3.920 4.120 0.001 0.000 0.246 200 V C 2.924 179.189 176.094 0.285 0.000 1.047 200 V CA 1.382 63.803 62.300 0.202 0.000 1.035 200 V CB -1.300 30.624 31.823 0.168 0.000 0.658 200 V HN -0.014 nan 8.190 nan 0.000 0.452 201 L N -0.643 120.707 121.223 0.212 0.000 1.989 201 L HA -0.208 4.133 4.340 0.001 0.000 0.211 201 L C 2.460 179.417 176.870 0.145 0.000 1.071 201 L CA 1.722 56.661 54.840 0.166 0.000 0.749 201 L CB -0.489 41.648 42.059 0.129 0.000 0.890 201 L HN 0.285 nan 8.230 nan 0.000 0.431 202 L N -1.788 119.525 121.223 0.149 0.000 2.042 202 L HA -0.268 4.072 4.340 0.001 0.000 0.210 202 L C 2.404 179.356 176.870 0.137 0.000 1.076 202 L CA 1.590 56.504 54.840 0.124 0.000 0.749 202 L CB -0.626 41.507 42.059 0.125 0.000 0.893 202 L HN 0.468 nan 8.230 nan 0.000 0.432 203 W N 0.692 122.016 121.300 0.041 0.000 2.381 203 W HA -0.180 4.482 4.660 0.002 0.000 0.301 203 W C 2.262 178.818 176.519 0.061 0.000 1.205 203 W CA 1.222 58.595 57.345 0.046 0.000 1.285 203 W CB -0.113 29.365 29.460 0.030 0.000 1.133 203 W HN -0.014 nan 8.180 nan 0.000 0.521 204 I N 0.342 120.842 120.570 -0.115 0.000 2.439 204 I HA -0.253 3.918 4.170 0.001 0.000 0.251 204 I C 2.066 178.029 176.117 -0.256 0.000 1.139 204 I CA 1.519 62.604 61.300 -0.359 0.000 1.438 204 I CB -0.296 37.717 38.000 0.022 0.000 1.085 204 I HN -0.160 nan 8.210 nan 0.000 0.427 205 S N -0.133 115.499 115.700 -0.113 0.000 2.547 205 S HA -0.056 4.415 4.470 0.001 0.000 0.235 205 S C 1.638 176.168 174.600 -0.117 0.000 0.980 205 S CA 0.968 59.124 58.200 -0.073 0.000 0.941 205 S CB -0.045 63.148 63.200 -0.011 0.000 0.763 205 S HN 0.401 nan 8.310 nan 0.000 0.532 206 S N 1.006 116.582 115.700 -0.206 0.000 2.557 206 S HA 0.184 4.655 4.470 0.001 0.000 0.223 206 S C 0.602 175.036 174.600 -0.277 0.000 0.969 206 S CA -0.182 57.900 58.200 -0.196 0.000 0.927 206 S CB 0.247 63.353 63.200 -0.157 0.000 0.806 206 S HN 0.319 nan 8.310 nan 0.000 0.489 207 Q N 1.320 120.892 119.800 -0.379 0.000 2.465 207 Q HA 0.262 4.603 4.340 0.001 0.000 0.361 207 Q C 1.060 176.824 176.000 -0.393 0.000 0.957 207 Q CA -0.092 55.444 55.803 -0.446 0.000 1.065 207 Q CB 0.236 28.602 28.738 -0.619 0.000 1.274 207 Q HN 0.552 nan 8.270 nan 0.000 0.421 208 S N -0.632 114.911 115.700 -0.261 0.000 2.371 208 S HA -0.098 4.373 4.470 0.001 0.000 0.224 208 S C 1.845 176.283 174.600 -0.270 0.000 1.029 208 S CA 0.310 58.392 58.200 -0.197 0.000 0.978 208 S CB 0.033 63.189 63.200 -0.074 0.000 0.833 208 S HN 0.332 nan 8.310 nan 0.000 0.466 209 R N 1.989 122.333 120.500 -0.260 0.000 2.122 209 R HA -0.007 4.334 4.340 0.001 0.000 0.236 209 R C -1.384 174.679 176.300 -0.394 0.000 1.129 209 R CA 1.357 57.301 56.100 -0.260 0.000 0.925 209 R CB -1.852 28.319 30.300 -0.215 0.000 0.850 209 R HN 0.397 nan 8.270 nan 0.000 0.431 215 A N 0.803 123.577 122.820 -0.076 0.000 1.986 215 A HA -0.178 4.143 4.320 0.001 0.000 0.220 215 A C 1.916 179.501 177.584 0.000 0.000 1.171 215 A CA 1.890 53.926 52.037 -0.002 0.000 0.640 215 A CB -0.667 18.366 19.000 0.054 0.000 0.811 215 A HN 0.412 nan 8.150 nan 0.000 0.451 216 L N -1.452 119.760 121.223 -0.019 0.000 2.362 216 L HA 0.175 4.516 4.340 0.001 0.000 0.219 216 L C 1.254 178.123 176.870 -0.002 0.000 1.134 216 L CA 0.422 55.256 54.840 -0.010 0.000 0.807 216 L CB -1.105 40.942 42.059 -0.020 0.000 0.927 216 L HN 0.652 nan 8.230 nan 0.000 0.447 217 G N -0.221 108.576 108.800 -0.005 0.000 2.697 217 G HA2 -0.157 3.803 3.960 0.001 0.000 0.686 217 G HA3 -0.157 3.803 3.960 0.001 0.000 0.686 217 G C 0.150 175.056 174.900 0.009 0.000 1.179 217 G CA -0.295 44.809 45.100 0.006 0.000 0.765 217 G HN 0.174 nan 8.290 nan 0.000 0.649 218 E N -0.058 120.155 120.200 0.022 0.000 2.110 218 E HA -0.296 4.055 4.350 0.001 0.000 0.225 218 E C 2.520 179.150 176.600 0.049 0.000 1.063 218 E CA 2.036 58.461 56.400 0.042 0.000 0.906 218 E CB -0.136 29.601 29.700 0.062 0.000 0.795 218 E HN 0.540 nan 8.360 nan 0.000 0.479 219 I N 0.976 121.573 120.570 0.044 0.000 2.151 219 I HA -0.252 3.919 4.170 0.001 0.000 0.243 219 I C 2.470 178.606 176.117 0.033 0.000 1.080 219 I CA 1.316 62.642 61.300 0.043 0.000 1.339 219 I CB -1.365 36.655 38.000 0.034 0.000 1.039 219 I HN 0.027 nan 8.210 nan 0.000 0.409 220 S N 0.828 116.540 115.700 0.020 0.000 2.345 220 S HA -0.101 4.370 4.470 0.001 0.000 0.220 220 S C 2.274 176.876 174.600 0.003 0.000 1.031 220 S CA 1.348 59.554 58.200 0.009 0.000 0.996 220 S CB -0.365 62.836 63.200 0.001 0.000 0.882 220 S HN 0.551 nan 8.310 nan 0.000 0.445 221 A N 2.254 125.070 122.820 -0.006 0.000 1.873 221 A HA -0.203 4.118 4.320 0.001 0.000 0.218 221 A C 2.152 179.733 177.584 -0.005 0.000 1.193 221 A CA 1.678 53.700 52.037 -0.025 0.000 0.629 221 A CB -0.636 18.339 19.000 -0.042 0.000 0.826 221 A HN 0.446 nan 8.150 nan 0.000 0.447 222 R N -0.381 120.136 120.500 0.029 0.000 2.083 222 R HA -0.215 4.126 4.340 0.001 0.000 0.237 222 R C 2.445 178.784 176.300 0.065 0.000 1.137 222 R CA 1.870 58.014 56.100 0.072 0.000 0.951 222 R CB -0.466 29.919 30.300 0.142 0.000 0.851 222 R HN 0.877 nan 8.270 nan 0.000 0.434 223 Q N 0.640 120.469 119.800 0.048 0.000 2.436 223 Q HA -0.042 4.299 4.340 0.001 0.000 0.209 223 Q C 1.520 177.535 176.000 0.025 0.000 0.965 223 Q CA 1.240 57.067 55.803 0.039 0.000 0.910 223 Q CB -0.147 28.609 28.738 0.031 0.000 0.980 223 Q HN 0.342 nan 8.270 nan 0.000 0.491 224 L N -0.627 120.605 121.223 0.015 0.000 2.567 224 L HA 0.330 4.671 4.340 0.001 0.000 0.225 224 L C 0.974 177.847 176.870 0.004 0.000 1.119 224 L CA 0.519 55.361 54.840 0.003 0.000 0.871 224 L CB 0.136 42.188 42.059 -0.012 0.000 1.036 224 L HN 0.652 nan 8.230 nan 0.000 0.459 225 G N 0.094 108.903 108.800 0.015 0.000 2.211 225 G HA2 -0.233 3.727 3.960 0.001 0.000 0.201 225 G HA3 -0.233 3.727 3.960 0.001 0.000 0.201 225 G C -0.092 174.812 174.900 0.008 0.000 0.997 225 G CA -0.300 44.812 45.100 0.020 0.000 0.652 225 G HN 0.102 nan 8.290 nan 0.000 0.500 226 L N 2.522 123.735 121.223 -0.017 0.000 2.410 226 L HA 0.588 4.929 4.340 0.001 0.000 0.273 226 L C -1.936 174.849 176.870 -0.141 0.000 1.152 226 L CA -1.557 53.264 54.840 -0.032 0.000 0.855 226 L CB 0.586 42.606 42.059 -0.065 0.000 1.129 226 L HN -0.090 nan 8.230 nan 0.000 0.463 227 P HA 0.081 nan 4.420 nan 0.000 0.244 227 P C 0.504 177.287 177.300 -0.862 0.000 1.769 227 P CA -0.249 62.458 63.100 -0.656 0.000 1.102 227 P CB 0.530 32.016 31.700 -0.357 0.000 1.937 228 L N 3.083 123.677 121.223 -1.049 0.000 1.976 228 L HA -0.187 4.153 4.340 0.001 0.000 0.223 228 L C 1.840 178.552 176.870 -0.263 0.000 1.081 228 L CA 2.186 56.761 54.840 -0.441 0.000 0.784 228 L CB -1.369 40.633 42.059 -0.095 0.000 0.896 228 L HN 0.360 nan 8.230 nan 0.000 0.438 229 W N -1.729 119.661 121.300 0.151 0.000 2.317 229 W HA -0.294 4.367 4.660 0.001 0.000 0.318 229 W C 2.381 178.964 176.519 0.106 0.000 1.227 229 W CA 1.028 58.443 57.345 0.116 0.000 1.269 229 W CB -1.742 27.784 29.460 0.110 0.000 1.155 229 W HN 0.238 nan 8.180 nan 0.000 0.484 230 F N 0.499 120.238 119.950 -0.352 0.000 2.065 230 F HA -0.190 4.338 4.527 0.001 0.000 0.298 230 F C 2.038 177.660 175.800 -0.297 0.000 1.112 230 F CA 1.912 59.730 58.000 -0.303 0.000 1.212 230 F CB -0.985 37.710 39.000 -0.509 0.000 0.975 230 F HN -0.121 nan 8.300 nan 0.000 0.476 231 W N 0.692 121.882 121.300 -0.184 0.000 2.402 231 W HA -0.045 4.616 4.660 0.001 0.000 0.286 231 W C 2.642 179.042 176.519 -0.198 0.000 1.221 231 W CA 1.075 58.279 57.345 -0.236 0.000 1.257 231 W CB -0.343 29.062 29.460 -0.091 0.000 1.120 231 W HN -0.118 nan 8.180 nan 0.000 0.551 232 R N 0.134 120.668 120.500 0.056 0.000 2.075 232 R HA -0.131 4.210 4.340 0.001 0.000 0.232 232 R C 1.859 178.150 176.300 -0.016 0.000 1.126 232 R CA 1.423 57.532 56.100 0.015 0.000 0.963 232 R CB -0.639 29.672 30.300 0.019 0.000 0.858 232 R HN 0.224 nan 8.270 nan 0.000 0.435 233 N N 0.478 119.143 118.700 -0.059 0.000 2.080 233 N HA -0.129 4.611 4.740 0.001 0.000 0.189 233 N C 1.970 177.404 175.510 -0.127 0.000 1.036 233 N CA 0.975 53.979 53.050 -0.077 0.000 0.846 233 N CB -0.570 37.865 38.487 -0.086 0.000 1.015 233 N HN -0.023 nan 8.380 nan 0.000 0.423 234 V N 2.342 122.081 119.914 -0.292 0.000 2.252 234 V HA -0.218 3.903 4.120 0.001 0.000 0.249 234 V C 2.432 178.548 176.094 0.037 0.000 1.056 234 V CA 1.427 63.574 62.300 -0.255 0.000 1.022 234 V CB -0.486 31.010 31.823 -0.544 0.000 0.641 234 V HN 0.246 nan 8.190 nan 0.000 0.445 235 L N -0.990 120.303 121.223 0.117 0.000 2.056 235 L HA -0.145 4.195 4.340 0.001 0.000 0.207 235 L C 2.480 179.428 176.870 0.130 0.000 1.078 235 L CA 1.197 56.142 54.840 0.173 0.000 0.749 235 L CB -0.801 41.338 42.059 0.133 0.000 0.901 235 L HN 0.209 nan 8.230 nan 0.000 0.433 236 V N 0.470 120.435 119.914 0.084 0.000 2.287 236 V HA -0.340 3.781 4.120 0.001 0.000 0.248 236 V C 2.811 178.967 176.094 0.104 0.000 1.053 236 V CA 2.003 64.362 62.300 0.099 0.000 1.027 236 V CB -0.895 30.975 31.823 0.078 0.000 0.646 236 V HN 0.500 nan 8.190 nan 0.000 0.447 237 A N -0.202 122.659 122.820 0.069 0.000 1.877 237 A HA -0.109 4.212 4.320 0.001 0.000 0.216 237 A C 2.462 180.122 177.584 0.127 0.000 1.186 237 A CA 2.107 54.185 52.037 0.070 0.000 0.620 237 A CB -0.909 18.085 19.000 -0.011 0.000 0.822 237 A HN 0.587 nan 8.150 nan 0.000 0.443 238 A N -0.725 122.175 122.820 0.133 0.000 1.873 238 A HA -0.182 4.139 4.320 0.001 0.000 0.218 238 A C 2.331 180.062 177.584 0.245 0.000 1.193 238 A CA 2.634 54.796 52.037 0.209 0.000 0.629 238 A CB -1.515 17.689 19.000 0.340 0.000 0.826 238 A HN 0.459 nan 8.150 nan 0.000 0.447 239 T N -0.330 114.343 114.554 0.198 0.000 2.746 239 T HA -0.048 4.303 4.350 0.001 0.000 0.267 239 T C 1.975 176.769 174.700 0.156 0.000 1.039 239 T CA 1.526 63.727 62.100 0.169 0.000 1.142 239 T CB -0.758 68.199 68.868 0.150 0.000 0.866 239 T HN 0.622 nan 8.240 nan 0.000 0.444 240 G N 0.697 109.592 108.800 0.158 0.000 2.440 240 G HA2 -0.161 3.800 3.960 0.001 0.000 0.218 240 G HA3 -0.161 3.800 3.960 0.001 0.000 0.218 240 G C 0.735 175.726 174.900 0.152 0.000 1.154 240 G CA 0.073 45.253 45.100 0.133 0.000 0.767 240 G HN 0.491 nan 8.290 nan 0.000 0.552 244 G N 0.570 109.306 108.800 -0.107 0.000 2.491 244 G HA2 -0.212 3.749 3.960 0.001 0.000 0.218 244 G HA3 -0.212 3.749 3.960 0.001 0.000 0.218 244 G C 1.522 176.271 174.900 -0.252 0.000 1.180 244 G CA 1.780 46.783 45.100 -0.162 0.000 0.774 244 G HN 0.374 nan 8.290 nan 0.000 0.562 245 V N 0.868 120.558 119.914 -0.374 0.000 2.343 245 V HA -0.187 3.933 4.120 0.001 0.000 0.247 245 V C 3.156 179.077 176.094 -0.288 0.000 1.051 245 V CA 2.257 64.302 62.300 -0.424 0.000 1.036 245 V CB -0.448 31.047 31.823 -0.548 0.000 0.654 245 V HN 0.376 nan 8.190 nan 0.000 0.451 246 S N -0.265 115.316 115.700 -0.197 0.000 2.368 246 S HA -0.172 4.298 4.470 0.001 0.000 0.225 246 S C 1.992 176.472 174.600 -0.199 0.000 1.030 246 S CA 1.578 59.689 58.200 -0.148 0.000 0.999 246 S CB -0.213 62.944 63.200 -0.072 0.000 0.844 246 S HN 0.401 nan 8.310 nan 0.000 0.459 247 V N 1.930 121.735 119.914 -0.182 0.000 2.343 247 V HA -0.169 3.952 4.120 0.001 0.000 0.247 247 V C 2.587 178.531 176.094 -0.251 0.000 1.051 247 V CA 1.615 63.800 62.300 -0.192 0.000 1.036 247 V CB -1.160 30.587 31.823 -0.128 0.000 0.654 247 V HN 0.541 nan 8.190 nan 0.000 0.451 248 A N -0.655 122.017 122.820 -0.246 0.000 2.019 248 A HA -0.112 4.208 4.320 0.001 0.000 0.219 248 A C 2.167 179.562 177.584 -0.315 0.000 1.164 248 A CA 1.385 53.265 52.037 -0.261 0.000 0.644 248 A CB -0.333 18.520 19.000 -0.244 0.000 0.805 248 A HN 0.384 nan 8.150 nan 0.000 0.449 249 L N -1.398 119.628 121.223 -0.327 0.000 2.071 249 L HA 0.166 4.507 4.340 0.001 0.000 0.201 249 L C 2.011 178.602 176.870 -0.464 0.000 1.076 249 L CA 2.287 56.927 54.840 -0.334 0.000 0.755 249 L CB -0.951 40.957 42.059 -0.251 0.000 0.915 249 L HN 0.376 nan 8.230 nan 0.000 0.445 250 A N -1.413 121.048 122.820 -0.599 0.000 2.643 250 A HA 0.550 4.871 4.320 0.001 0.000 0.295 250 A C 0.910 178.156 177.584 -0.563 0.000 1.065 250 A CA 0.337 51.866 52.037 -0.847 0.000 0.986 250 A CB -0.443 17.424 19.000 -1.889 0.000 1.212 250 A HN 0.564 nan 8.150 nan 0.000 0.516 251 G N 0.091 108.633 108.800 -0.429 0.000 2.641 251 G HA2 0.205 4.166 3.960 0.001 0.000 0.254 251 G HA3 0.205 4.166 3.960 0.001 0.000 0.254 251 G C 0.496 175.283 174.900 -0.190 0.000 1.315 251 G CA -0.142 44.788 45.100 -0.284 0.000 0.907 251 G HN 1.934 nan 8.290 nan 0.000 0.572 252 A N -0.451 122.311 122.820 -0.097 0.000 2.454 252 A HA 0.637 4.958 4.320 0.001 0.000 0.260 252 A C 0.304 177.861 177.584 -0.046 0.000 1.106 252 A CA 0.480 52.486 52.037 -0.052 0.000 0.780 252 A CB -0.121 18.877 19.000 -0.003 0.000 1.044 252 A HN 1.210 nan 8.150 nan 0.000 0.498 253 I N 2.046 122.604 120.570 -0.020 0.000 2.571 253 I HA 0.544 4.714 4.170 0.001 0.000 0.289 253 I C 0.417 176.575 176.117 0.069 0.000 1.115 253 I CA -0.326 60.992 61.300 0.030 0.000 1.045 253 I CB 2.626 40.644 38.000 0.030 0.000 1.238 253 I HN 0.751 nan 8.210 nan 0.000 0.424 254 G N 3.470 112.375 108.800 0.175 0.000 2.533 254 G HA2 0.696 4.656 3.960 0.001 0.000 0.304 254 G HA3 0.696 4.656 3.960 0.001 0.000 0.304 254 G C -0.693 174.545 174.900 0.562 0.000 1.263 254 G CA -0.634 44.600 45.100 0.223 0.000 0.964 254 G HN 0.541 nan 8.290 nan 0.000 0.479 255 F N -0.961 118.956 119.950 -0.054 0.000 3.071 255 F HA -0.148 4.380 4.527 0.001 0.000 0.295 255 F C 1.095 176.898 175.800 0.003 0.000 0.919 255 F CA -0.201 57.773 58.000 -0.043 0.000 1.050 255 F CB -1.985 36.988 39.000 -0.045 0.000 1.040 255 F HN 0.315 nan 8.300 nan 0.000 0.692 256 I N -0.066 120.598 120.570 0.157 0.000 2.810 256 I HA 0.148 4.319 4.170 0.001 0.000 0.262 256 I C 2.529 178.689 176.117 0.072 0.000 1.131 256 I CA 1.663 63.027 61.300 0.107 0.000 1.453 256 I CB -0.665 37.388 38.000 0.089 0.000 1.161 256 I HN 0.321 nan 8.210 nan 0.000 0.444 257 G N 0.577 109.394 108.800 0.028 0.000 2.402 257 G HA2 -0.135 3.825 3.960 0.001 0.000 0.216 257 G HA3 -0.135 3.825 3.960 0.001 0.000 0.216 257 G C 1.647 176.549 174.900 0.004 0.000 1.162 257 G CA 0.694 45.798 45.100 0.007 0.000 0.777 257 G HN 0.256 nan 8.290 nan 0.000 0.539 258 L N -0.001 121.196 121.223 -0.044 0.000 1.982 258 L HA -0.040 4.300 4.340 0.001 0.000 0.206 258 L C 2.976 179.916 176.870 0.116 0.000 1.078 258 L CA 0.574 55.404 54.840 -0.017 0.000 0.749 258 L CB -0.965 41.005 42.059 -0.148 0.000 0.894 258 L HN 0.049 nan 8.230 nan 0.000 0.436 259 V N 0.486 120.497 119.914 0.163 0.000 2.233 259 V HA -0.324 3.796 4.120 0.001 0.000 0.247 259 V C 2.388 178.591 176.094 0.182 0.000 1.050 259 V CA 2.152 64.586 62.300 0.222 0.000 1.010 259 V CB -0.431 31.529 31.823 0.229 0.000 0.637 259 V HN 0.312 nan 8.190 nan 0.000 0.444 260 I N 0.604 121.253 120.570 0.131 0.000 2.127 260 I HA -0.168 4.003 4.170 0.001 0.000 0.241 260 I C 0.036 176.202 176.117 0.081 0.000 1.075 260 I CA 1.809 63.168 61.300 0.098 0.000 1.334 260 I CB -1.684 36.364 38.000 0.081 0.000 1.040 260 I HN 0.385 nan 8.210 nan 0.000 0.405 261 P HA -0.190 nan 4.420 nan 0.000 0.219 261 P C 1.344 178.686 177.300 0.069 0.000 1.150 261 P CA 1.788 64.921 63.100 0.055 0.000 0.814 261 P CB -0.204 31.531 31.700 0.058 0.000 0.787 262 H N 0.208 119.301 119.070 0.038 0.000 2.428 262 H HA 0.054 4.611 4.556 0.001 0.000 0.296 262 H C 1.933 177.288 175.328 0.046 0.000 1.062 262 H CA 1.070 57.147 56.048 0.047 0.000 1.350 262 H CB -0.897 28.921 29.762 0.093 0.000 1.403 262 H HN -0.014 nan 8.280 nan 0.000 0.533 263 I N -0.210 120.374 120.570 0.023 0.000 2.493 263 I HA -0.202 3.969 4.170 0.001 0.000 0.254 263 I C 1.768 177.810 176.117 -0.126 0.000 1.160 263 I CA 0.750 62.031 61.300 -0.032 0.000 1.445 263 I CB -0.077 37.949 38.000 0.045 0.000 1.086 263 I HN 0.277 nan 8.210 nan 0.000 0.433 264 L N -0.025 121.124 121.223 -0.123 0.000 2.162 264 L HA -0.059 4.282 4.340 0.001 0.000 0.205 264 L C 2.697 179.406 176.870 -0.267 0.000 1.086 264 L CA 0.833 55.552 54.840 -0.201 0.000 0.778 264 L CB -0.374 41.614 42.059 -0.119 0.000 0.928 264 L HN 0.103 nan 8.230 nan 0.000 0.446 265 R N 0.239 120.605 120.500 -0.224 0.000 2.070 265 R HA -0.119 4.221 4.340 0.001 0.000 0.233 265 R C 2.206 178.351 176.300 -0.258 0.000 1.137 265 R CA 1.232 57.198 56.100 -0.223 0.000 0.945 265 R CB -0.503 29.696 30.300 -0.168 0.000 0.845 265 R HN 0.258 nan 8.270 nan 0.000 0.430 266 L N 0.635 121.670 121.223 -0.313 0.000 2.349 266 L HA -0.159 4.182 4.340 0.001 0.000 0.220 266 L C 1.693 178.429 176.870 -0.223 0.000 1.130 266 L CA 0.904 55.601 54.840 -0.239 0.000 0.791 266 L CB -0.233 41.705 42.059 -0.202 0.000 0.918 266 L HN 0.153 nan 8.230 nan 0.000 0.444 267 S N -0.843 114.653 115.700 -0.340 0.000 2.575 267 S HA 0.223 4.694 4.470 0.001 0.000 0.215 267 S C 1.463 175.756 174.600 -0.511 0.000 0.966 267 S CA 0.651 58.536 58.200 -0.525 0.000 0.911 267 S CB 0.753 63.347 63.200 -1.010 0.000 0.780 267 S HN 0.651 nan 8.310 nan 0.000 0.514 268 G N 1.196 109.788 108.800 -0.347 0.000 2.184 268 G HA2 -0.172 3.788 3.960 0.001 0.000 0.206 268 G HA3 -0.172 3.788 3.960 0.001 0.000 0.206 268 G C -0.007 174.745 174.900 -0.247 0.000 0.995 268 G CA -0.558 44.385 45.100 -0.261 0.000 0.651 268 G HN 0.428 nan 8.290 nan 0.000 0.511 269 L N 2.385 123.432 121.223 -0.294 0.000 2.375 269 L HA 0.393 4.733 4.340 0.001 0.000 0.276 269 L C 1.421 178.172 176.870 -0.198 0.000 1.162 269 L CA 0.079 54.783 54.840 -0.227 0.000 0.991 269 L CB 0.611 42.532 42.059 -0.231 0.000 1.315 269 L HN 0.152 nan 8.230 nan 0.000 0.431 270 T N -1.261 113.194 114.554 -0.167 0.000 3.045 270 T HA -0.016 4.335 4.350 0.001 0.000 0.239 270 T C 0.624 175.214 174.700 -0.183 0.000 1.008 270 T CA 0.037 62.040 62.100 -0.161 0.000 1.143 270 T CB 0.187 68.993 68.868 -0.103 0.000 0.894 270 T HN 0.449 nan 8.240 nan 0.000 0.451 271 D N 0.883 121.216 120.400 -0.112 0.000 2.450 271 D HA -0.014 4.626 4.640 0.001 0.000 0.247 271 D C 0.670 176.918 176.300 -0.087 0.000 1.162 271 D CA 0.295 54.263 54.000 -0.053 0.000 0.879 271 D CB 0.733 41.514 40.800 -0.031 0.000 1.163 271 D HN 0.324 nan 8.370 nan 0.000 0.472 272 H N 2.780 121.810 119.070 -0.068 0.000 2.422 272 H HA -0.132 4.425 4.556 0.001 0.000 0.298 272 H C 1.705 176.991 175.328 -0.070 0.000 1.098 272 H CA 1.767 57.772 56.048 -0.073 0.000 1.315 272 H CB 0.038 29.741 29.762 -0.099 0.000 1.382 272 H HN 0.498 nan 8.280 nan 0.000 0.523 273 R N 0.622 121.145 120.500 0.039 0.000 2.377 273 R HA -0.022 4.319 4.340 0.001 0.000 0.207 273 R C 0.364 176.660 176.300 -0.007 0.000 1.075 273 R CA 1.092 57.192 56.100 -0.000 0.000 1.035 273 R CB 0.083 30.375 30.300 -0.014 0.000 0.857 273 R HN 0.231 nan 8.270 nan 0.000 0.475 274 V N -0.372 119.532 119.914 -0.018 0.000 3.368 274 V HA -0.005 4.116 4.120 0.001 0.000 0.255 274 V C 1.320 177.393 176.094 -0.036 0.000 1.466 274 V CA 0.012 62.300 62.300 -0.019 0.000 1.095 274 V CB 0.722 32.530 31.823 -0.025 0.000 0.899 274 V HN 0.230 nan 8.190 nan 0.000 0.440 275 L N -0.007 121.170 121.223 -0.077 0.000 2.179 275 L HA 0.108 4.448 4.340 0.001 0.000 0.208 275 L C 1.963 178.803 176.870 -0.051 0.000 1.096 275 L CA 1.870 56.645 54.840 -0.108 0.000 0.779 275 L CB -0.277 41.634 42.059 -0.246 0.000 0.922 275 L HN 0.218 nan 8.230 nan 0.000 0.443 276 L N -0.263 120.950 121.223 -0.017 0.000 2.005 276 L HA -0.082 4.259 4.340 0.001 0.000 0.207 276 L C -0.090 176.790 176.870 0.016 0.000 1.072 276 L CA 1.149 55.997 54.840 0.014 0.000 0.744 276 L CB -1.933 40.136 42.059 0.017 0.000 0.895 276 L HN 0.214 nan 8.230 nan 0.000 0.433 277 P HA -0.149 nan 4.420 nan 0.000 0.215 277 P C 1.571 178.892 177.300 0.035 0.000 1.157 277 P CA 1.804 64.919 63.100 0.026 0.000 0.868 277 P CB -0.216 31.498 31.700 0.025 0.000 0.788 278 G N -0.841 107.978 108.800 0.032 0.000 2.418 278 G HA2 -0.291 3.670 3.960 0.001 0.000 0.217 278 G HA3 -0.291 3.670 3.960 0.001 0.000 0.217 278 G C 1.595 176.521 174.900 0.044 0.000 1.158 278 G CA 0.980 46.109 45.100 0.048 0.000 0.771 278 G HN 0.241 nan 8.290 nan 0.000 0.545 279 C N 0.909 120.224 119.300 0.026 0.000 2.413 279 C HA 0.149 4.610 4.460 0.001 0.000 0.277 279 C C 3.512 178.529 174.990 0.044 0.000 1.265 279 C CA 0.783 59.821 59.018 0.033 0.000 1.752 279 C CB -1.019 26.738 27.740 0.028 0.000 1.998 279 C HN 0.580 nan 8.230 nan 0.000 0.489 280 A N 0.705 123.551 122.820 0.043 0.000 1.845 280 A HA -0.097 4.224 4.320 0.001 0.000 0.215 280 A C 2.116 179.726 177.584 0.044 0.000 1.195 280 A CA 1.563 53.627 52.037 0.046 0.000 0.616 280 A CB -0.724 18.303 19.000 0.046 0.000 0.832 280 A HN 0.573 nan 8.150 nan 0.000 0.443 281 L N -0.687 120.564 121.223 0.046 0.000 1.989 281 L HA -0.239 4.101 4.340 0.001 0.000 0.211 281 L C 3.139 180.037 176.870 0.046 0.000 1.071 281 L CA 1.383 56.250 54.840 0.045 0.000 0.749 281 L CB -0.740 41.351 42.059 0.053 0.000 0.890 281 L HN 0.449 nan 8.230 nan 0.000 0.431 282 A N 0.339 123.195 122.820 0.059 0.000 1.902 282 A HA -0.142 4.179 4.320 0.001 0.000 0.217 282 A C 2.407 180.021 177.584 0.051 0.000 1.181 282 A CA 1.856 53.931 52.037 0.064 0.000 0.623 282 A CB -1.356 17.693 19.000 0.082 0.000 0.818 282 A HN 0.473 nan 8.150 nan 0.000 0.443 283 G N -0.711 108.119 108.800 0.049 0.000 2.422 283 G HA2 0.037 3.998 3.960 0.001 0.000 0.218 283 G HA3 0.037 3.998 3.960 0.001 0.000 0.218 283 G C 1.707 176.625 174.900 0.030 0.000 1.146 283 G CA 1.451 46.578 45.100 0.046 0.000 0.769 283 G HN 0.775 nan 8.290 nan 0.000 0.547 284 A N 1.022 123.856 122.820 0.023 0.000 1.845 284 A HA 0.008 4.329 4.320 0.001 0.000 0.215 284 A C 2.715 180.290 177.584 -0.014 0.000 1.195 284 A CA 2.272 54.309 52.037 0.000 0.000 0.616 284 A CB -0.830 18.173 19.000 0.005 0.000 0.832 284 A HN 0.301 nan 8.150 nan 0.000 0.443 285 S N 0.148 115.848 115.700 0.001 0.000 2.374 285 S HA -0.126 4.345 4.470 0.001 0.000 0.227 285 S C 2.281 176.878 174.600 -0.006 0.000 1.037 285 S CA 1.381 59.579 58.200 -0.003 0.000 1.024 285 S CB -0.618 62.589 63.200 0.012 0.000 0.861 285 S HN 0.818 nan 8.310 nan 0.000 0.456 286 A N 1.664 124.489 122.820 0.010 0.000 1.841 286 A HA -0.050 4.271 4.320 0.001 0.000 0.216 286 A C 2.134 179.718 177.584 0.001 0.000 1.199 286 A CA 1.353 53.399 52.037 0.016 0.000 0.621 286 A CB -0.989 18.033 19.000 0.037 0.000 0.835 286 A HN 0.442 nan 8.150 nan 0.000 0.445 287 L N -0.703 120.517 121.223 -0.005 0.000 2.131 287 L HA -0.157 4.184 4.340 0.001 0.000 0.210 287 L C 2.585 179.397 176.870 -0.096 0.000 1.092 287 L CA 1.051 55.875 54.840 -0.027 0.000 0.759 287 L CB -0.318 41.727 42.059 -0.024 0.000 0.903 287 L HN 0.480 nan 8.230 nan 0.000 0.435 288 L N -0.547 120.614 121.223 -0.104 0.000 1.955 288 L HA -0.305 4.036 4.340 0.001 0.000 0.213 288 L C 2.546 179.366 176.870 -0.084 0.000 1.072 288 L CA 1.566 56.330 54.840 -0.127 0.000 0.755 288 L CB -0.381 41.622 42.059 -0.093 0.000 0.888 288 L HN 0.258 nan 8.230 nan 0.000 0.432 289 L N -0.612 120.584 121.223 -0.045 0.000 2.081 289 L HA -0.275 4.066 4.340 0.001 0.000 0.212 289 L C 2.788 179.645 176.870 -0.020 0.000 1.080 289 L CA 1.267 56.093 54.840 -0.023 0.000 0.754 289 L CB -0.836 41.218 42.059 -0.009 0.000 0.893 289 L HN 0.350 nan 8.230 nan 0.000 0.433 290 A N 0.059 122.867 122.820 -0.021 0.000 1.877 290 A HA -0.305 4.016 4.320 0.001 0.000 0.216 290 A C 1.996 179.574 177.584 -0.011 0.000 1.186 290 A CA 2.222 54.255 52.037 -0.006 0.000 0.620 290 A CB -0.721 18.285 19.000 0.009 0.000 0.822 290 A HN 0.436 nan 8.150 nan 0.000 0.443 291 D N -0.427 119.945 120.400 -0.046 0.000 2.178 291 D HA -0.100 4.541 4.640 0.001 0.000 0.201 291 D C 1.700 177.980 176.300 -0.034 0.000 0.980 291 D CA 1.154 55.122 54.000 -0.053 0.000 0.842 291 D CB -0.197 40.494 40.800 -0.181 0.000 0.948 291 D HN 0.503 nan 8.370 nan 0.000 0.472 292 I N -0.504 120.043 120.570 -0.038 0.000 2.315 292 I HA -0.206 3.964 4.170 0.001 0.000 0.248 292 I C 2.222 178.342 176.117 0.006 0.000 1.117 292 I CA 0.449 61.739 61.300 -0.016 0.000 1.404 292 I CB -0.067 37.927 38.000 -0.010 0.000 1.071 292 I HN -0.003 nan 8.210 nan 0.000 0.419 293 V N 1.003 120.920 119.914 0.006 0.000 2.427 293 V HA -0.243 3.878 4.120 0.001 0.000 0.248 293 V C 2.655 178.761 176.094 0.020 0.000 1.051 293 V CA 1.866 64.174 62.300 0.013 0.000 1.048 293 V CB -0.777 31.051 31.823 0.009 0.000 0.666 293 V HN 0.485 nan 8.190 nan 0.000 0.456 294 A N -0.599 122.234 122.820 0.022 0.000 2.067 294 A HA -0.182 4.139 4.320 0.001 0.000 0.219 294 A C 2.378 179.987 177.584 0.042 0.000 1.158 294 A CA 1.518 53.576 52.037 0.035 0.000 0.661 294 A CB -0.392 18.637 19.000 0.048 0.000 0.801 294 A HN 0.498 nan 8.150 nan 0.000 0.452 295 R N -0.836 119.684 120.500 0.035 0.000 2.066 295 R HA 0.187 4.528 4.340 0.001 0.000 0.224 295 R C 0.835 177.160 176.300 0.042 0.000 1.122 295 R CA 0.907 57.030 56.100 0.038 0.000 0.974 295 R CB -0.150 30.166 30.300 0.025 0.000 0.871 295 R HN 0.476 nan 8.270 nan 0.000 0.435 296 L N 0.037 121.283 121.223 0.039 0.000 2.791 296 L HA 0.326 4.667 4.340 0.001 0.000 0.239 296 L C 1.368 178.259 176.870 0.035 0.000 1.203 296 L CA -0.302 54.564 54.840 0.043 0.000 1.002 296 L CB 0.572 42.661 42.059 0.050 0.000 1.295 296 L HN 0.125 nan 8.230 nan 0.000 0.504 297 A N 0.638 123.477 122.820 0.032 0.000 2.132 297 A HA 0.398 4.719 4.320 0.001 0.000 0.213 297 A C 0.760 178.360 177.584 0.026 0.000 1.154 297 A CA 0.660 52.713 52.037 0.026 0.000 0.753 297 A CB 0.162 19.177 19.000 0.024 0.000 0.826 297 A HN 0.398 nan 8.150 nan 0.000 0.469 298 L N -6.355 114.887 121.223 0.031 0.000 2.765 298 L HA 0.715 5.056 4.340 0.001 0.000 0.263 298 L C 0.888 177.778 176.870 0.033 0.000 1.068 298 L CA -0.429 54.428 54.840 0.029 0.000 0.903 298 L CB 1.137 43.213 42.059 0.028 0.000 1.512 298 L HN -0.137 nan 8.230 nan 0.000 0.404 299 A N 0.111 122.950 122.820 0.030 0.000 2.066 299 A HA 0.293 4.614 4.320 0.001 0.000 0.218 299 A C 1.952 179.558 177.584 0.036 0.000 1.157 299 A CA 1.462 53.519 52.037 0.033 0.000 0.670 299 A CB -0.675 18.342 19.000 0.029 0.000 0.804 299 A HN 0.905 nan 8.150 nan 0.000 0.453 300 A N -0.998 121.843 122.820 0.036 0.000 2.206 300 A HA 0.461 4.782 4.320 0.001 0.000 0.211 300 A C 1.415 179.027 177.584 0.046 0.000 1.158 300 A CA 0.973 53.033 52.037 0.038 0.000 0.761 300 A CB -1.013 18.009 19.000 0.037 0.000 0.801 300 A HN 1.925 nan 8.150 nan 0.000 0.473 301 A N -0.535 122.314 122.820 0.048 0.000 2.203 301 A HA -0.102 4.219 4.320 0.001 0.000 0.279 301 A C 0.141 177.766 177.584 0.068 0.000 1.396 301 A CA 1.441 53.511 52.037 0.055 0.000 0.747 301 A CB -1.617 17.415 19.000 0.053 0.000 1.151 301 A HN 0.788 nan 8.150 nan 0.000 0.345 302 E N -0.509 119.736 120.200 0.075 0.000 2.829 302 E HA 0.430 4.781 4.350 0.001 0.000 0.369 302 E C -1.249 175.407 176.600 0.093 0.000 1.097 302 E CA -0.374 56.091 56.400 0.107 0.000 0.822 302 E CB 0.123 29.904 29.700 0.136 0.000 1.502 302 E HN 0.582 nan 8.360 nan 0.000 0.387 303 L N 3.771 125.035 121.223 0.070 0.000 2.282 303 L HA 0.464 4.805 4.340 0.001 0.000 0.287 303 L C -2.154 174.736 176.870 0.032 0.000 1.075 303 L CA -2.020 52.848 54.840 0.047 0.000 0.839 303 L CB 0.479 42.557 42.059 0.032 0.000 1.219 303 L HN 0.236 nan 8.230 nan 0.000 0.434 304 P HA -0.110 nan 4.420 nan 0.000 0.257 304 P C 1.307 178.584 177.300 -0.038 0.000 1.153 304 P CA 0.527 63.588 63.100 -0.065 0.000 0.762 304 P CB 0.540 32.193 31.700 -0.078 0.000 0.743 305 I N 2.749 123.301 120.570 -0.030 0.000 2.226 305 I HA -0.204 3.966 4.170 0.001 0.000 0.245 305 I C 2.575 178.695 176.117 0.005 0.000 1.100 305 I CA 1.891 63.205 61.300 0.023 0.000 1.374 305 I CB -0.937 37.130 38.000 0.112 0.000 1.057 305 I HN 0.459 nan 8.210 nan 0.000 0.413 306 G N 0.878 109.663 108.800 -0.025 0.000 2.513 306 G HA2 -0.243 3.718 3.960 0.001 0.000 0.219 306 G HA3 -0.243 3.718 3.960 0.001 0.000 0.219 306 G C 1.716 176.601 174.900 -0.025 0.000 1.160 306 G CA 1.131 46.225 45.100 -0.010 0.000 0.767 306 G HN 0.250 nan 8.290 nan 0.000 0.571 307 V N 0.468 120.362 119.914 -0.034 0.000 2.255 307 V HA -0.205 3.915 4.120 0.001 0.000 0.247 307 V C 3.086 179.149 176.094 -0.052 0.000 1.051 307 V CA 1.754 64.028 62.300 -0.042 0.000 1.018 307 V CB -0.561 31.245 31.823 -0.027 0.000 0.641 307 V HN 0.276 nan 8.190 nan 0.000 0.445 308 V N 0.838 120.734 119.914 -0.030 0.000 2.287 308 V HA -0.281 3.840 4.120 0.001 0.000 0.248 308 V C 2.741 178.812 176.094 -0.039 0.000 1.053 308 V CA 2.598 64.883 62.300 -0.025 0.000 1.027 308 V CB -1.456 30.366 31.823 -0.002 0.000 0.646 308 V HN 0.840 nan 8.190 nan 0.000 0.447 309 T N -0.416 114.121 114.554 -0.029 0.000 2.643 309 T HA -0.166 4.185 4.350 0.001 0.000 0.264 309 T C 2.030 176.635 174.700 -0.159 0.000 1.045 309 T CA 1.569 63.653 62.100 -0.027 0.000 1.155 309 T CB -0.747 68.152 68.868 0.052 0.000 0.863 309 T HN 0.487 nan 8.240 nan 0.000 0.420 310 A N 1.793 124.442 122.820 -0.284 0.000 1.873 310 A HA -0.124 4.196 4.320 0.001 0.000 0.218 310 A C 2.672 179.994 177.584 -0.437 0.000 1.193 310 A CA 2.523 54.146 52.037 -0.689 0.000 0.629 310 A CB -1.728 16.963 19.000 -0.516 0.000 0.826 310 A HN 0.557 nan 8.150 nan 0.000 0.447 311 T N 0.292 114.712 114.554 -0.224 0.000 2.720 311 T HA -0.117 4.234 4.350 0.001 0.000 0.268 311 T C 1.744 176.386 174.700 -0.097 0.000 1.037 311 T CA 1.665 63.687 62.100 -0.130 0.000 1.144 311 T CB -0.360 68.463 68.868 -0.076 0.000 0.864 311 T HN 0.378 nan 8.240 nan 0.000 0.444 312 L N 0.025 121.197 121.223 -0.085 0.000 2.270 312 L HA 0.163 4.504 4.340 0.001 0.000 0.210 312 L C 2.837 179.693 176.870 -0.023 0.000 1.104 312 L CA 0.932 55.748 54.840 -0.040 0.000 0.804 312 L CB -0.455 41.592 42.059 -0.020 0.000 0.937 312 L HN 0.323 nan 8.230 nan 0.000 0.450 313 G N -0.788 107.973 108.800 -0.066 0.000 2.539 313 G HA2 -0.022 3.939 3.960 0.001 0.000 0.215 313 G HA3 -0.022 3.939 3.960 0.001 0.000 0.215 313 G C 1.783 176.726 174.900 0.071 0.000 1.141 313 G CA 0.594 45.709 45.100 0.024 0.000 0.806 313 G HN 0.355 nan 8.290 nan 0.000 0.533 314 A N 2.000 124.768 122.820 -0.087 0.000 1.903 314 A HA -0.040 4.281 4.320 0.001 0.000 0.219 314 A C 0.699 178.388 177.584 0.175 0.000 1.191 314 A CA 2.127 54.193 52.037 0.048 0.000 0.638 314 A CB -1.292 17.679 19.000 -0.049 0.000 0.823 314 A HN 0.365 nan 8.150 nan 0.000 0.451 315 P HA -0.098 nan 4.420 nan 0.000 0.215 315 P C 1.582 179.000 177.300 0.197 0.000 1.153 315 P CA 1.471 64.646 63.100 0.125 0.000 0.853 315 P CB -0.120 31.621 31.700 0.069 0.000 0.788 316 V N -0.975 119.059 119.914 0.200 0.000 2.379 316 V HA -0.212 3.909 4.120 0.001 0.000 0.245 316 V C 2.181 178.508 176.094 0.387 0.000 1.044 316 V CA 1.518 63.972 62.300 0.257 0.000 1.036 316 V CB -1.399 30.538 31.823 0.190 0.000 0.664 316 V HN 0.015 nan 8.190 nan 0.000 0.453 317 F N 1.021 121.107 119.950 0.225 0.000 2.095 317 F HA -0.174 4.354 4.527 0.001 0.000 0.298 317 F C 2.076 177.984 175.800 0.180 0.000 1.104 317 F CA 1.545 59.677 58.000 0.220 0.000 1.232 317 F CB -0.374 38.786 39.000 0.267 0.000 0.987 317 F HN 0.067 nan 8.300 nan 0.000 0.475 318 I N -1.444 119.137 120.570 0.019 0.000 2.315 318 I HA -0.277 3.893 4.170 0.001 0.000 0.248 318 I C 2.231 178.319 176.117 -0.047 0.000 1.117 318 I CA 1.390 62.612 61.300 -0.130 0.000 1.404 318 I CB -0.688 37.324 38.000 0.019 0.000 1.071 318 I HN 0.382 nan 8.210 nan 0.000 0.419 319 W N 1.735 123.006 121.300 -0.049 0.000 2.355 319 W HA -0.178 4.483 4.660 0.001 0.000 0.309 319 W C 2.165 178.666 176.519 -0.030 0.000 1.206 319 W CA 1.410 58.743 57.345 -0.021 0.000 1.284 319 W CB -0.233 29.241 29.460 0.023 0.000 1.145 319 W HN -0.039 nan 8.180 nan 0.000 0.502 320 L N 0.164 121.506 121.223 0.198 0.000 2.191 320 L HA -0.227 4.114 4.340 0.001 0.000 0.212 320 L C 2.389 179.130 176.870 -0.215 0.000 1.103 320 L CA 0.900 55.774 54.840 0.057 0.000 0.769 320 L CB -0.835 41.381 42.059 0.261 0.000 0.908 320 L HN 0.126 nan 8.230 nan 0.000 0.438 321 L N -0.546 120.486 121.223 -0.319 0.000 2.049 321 L HA -0.118 4.223 4.340 0.001 0.000 0.203 321 L C 1.908 178.605 176.870 -0.287 0.000 1.074 321 L CA 0.892 55.520 54.840 -0.353 0.000 0.749 321 L CB -0.183 41.590 42.059 -0.478 0.000 0.907 321 L HN 0.240 nan 8.230 nan 0.000 0.439 322 L N 0.040 121.085 121.223 -0.297 0.000 2.713 322 L HA 0.031 4.372 4.340 0.001 0.000 0.245 322 L C -0.073 176.580 176.870 -0.362 0.000 1.169 322 L CA 0.421 55.099 54.840 -0.271 0.000 0.962 322 L CB -0.613 41.319 42.059 -0.211 0.000 1.161 322 L HN 0.117 nan 8.230 nan 0.000 0.427 323 K N 0.379 120.522 120.400 -0.428 0.000 2.502 323 K HA 0.735 5.056 4.320 0.001 0.000 0.257 323 K C -0.017 176.412 176.600 -0.285 0.000 0.938 323 K CA -0.154 55.852 56.287 -0.469 0.000 0.819 323 K CB 2.485 34.422 32.500 -0.939 0.000 1.333 323 K HN -0.018 nan 8.250 nan 0.000 0.434 324 A N 0.000 122.700 122.820 -0.200 0.000 2.254 324 A HA 0.000 4.321 4.320 0.001 0.000 0.244 324 A CA 0.000 51.972 52.037 -0.108 0.000 0.836 324 A CB 0.000 18.962 19.000 -0.063 0.000 0.831 324 A HN 0.000 nan 8.150 nan 0.000 0.486