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 1zc2_1_B DATA FIRST_RESID 6 DATA SEQUENCE QQIADIVNRT ITPLMQEQAI PGMAVAVIYQ GKPYYFTWGK ADIANNHPVT DATA SEQUENCE QQTLFELGSV SKTFNGVLGG DAIARGEIKL SDPVTKYWPE LTGKQWQGIR DATA SEQUENCE LLHLATYTAG GLPLQIPDDV RDKAALLHFY QNWQPQWTPG AKRLYANSSI DATA SEQUENCE GLFGALAVKP SGMSYEEAMT RRVLQPLKLA HTWITVPQNE QKDYAWGYRE DATA SEQUENCE GKPVHVSPGQ LDAEAYGVKS SVIDMARWVQ ANMDASHVQE KTLQQGIALA DATA SEQUENCE QSRYWRIGDM YQGLGWEMLN WPLKADSIIN GSDSKVALAA LPAVEVNPPA DATA SEQUENCE PAVKASWVHK TGSTGGFGSY VAFVPEKNLG IVMLANKSYP NPVRVEAAWR DATA SEQUENCE ILEKLQ 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 6 Q HA 0.000 nan 4.340 nan 0.000 0.214 6 Q C 0.000 175.981 176.000 -0.032 0.000 1.003 6 Q CA 0.000 55.806 55.803 0.004 0.000 1.022 6 Q CB 0.000 28.748 28.738 0.016 0.000 1.108 7 Q N 0.508 120.261 119.800 -0.077 0.000 2.364 7 Q HA 0.209 4.549 4.340 -0.000 0.000 0.207 7 Q C 1.880 177.787 176.000 -0.155 0.000 0.970 7 Q CA 1.513 57.256 55.803 -0.100 0.000 0.888 7 Q CB -0.152 28.522 28.738 -0.107 0.000 0.951 7 Q HN 0.794 nan 8.270 nan 0.000 0.469 8 I N 0.286 120.730 120.570 -0.211 0.000 2.333 8 I HA -0.196 3.974 4.170 -0.000 0.000 0.246 8 I C 2.370 178.380 176.117 -0.177 0.000 1.106 8 I CA 0.802 61.940 61.300 -0.270 0.000 1.411 8 I CB -0.371 37.372 38.000 -0.430 0.000 1.082 8 I HN 0.143 nan 8.210 nan 0.000 0.420 9 A N 0.574 123.371 122.820 -0.037 0.000 1.948 9 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 9 A C 1.929 179.487 177.584 -0.043 0.000 1.177 9 A CA 2.282 54.339 52.037 0.033 0.000 0.636 9 A CB -0.635 18.475 19.000 0.184 0.000 0.815 9 A HN 0.347 nan 8.150 nan 0.000 0.449 10 D N 0.093 120.467 120.400 -0.044 0.000 2.077 10 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 10 D C 1.960 178.222 176.300 -0.064 0.000 0.983 10 D CA 1.797 55.776 54.000 -0.035 0.000 0.841 10 D CB -0.600 40.178 40.800 -0.036 0.000 0.992 10 D HN 0.607 nan 8.370 nan 0.000 0.450 11 I N -0.799 119.711 120.570 -0.099 0.000 2.236 11 I HA -0.235 3.935 4.170 -0.000 0.000 0.249 11 I C 2.258 178.306 176.117 -0.115 0.000 1.102 11 I CA 1.059 62.297 61.300 -0.105 0.000 1.365 11 I CB -0.773 37.149 38.000 -0.130 0.000 1.051 11 I HN -0.147 nan 8.210 nan 0.000 0.420 12 V N 1.570 121.380 119.914 -0.175 0.000 2.283 12 V HA -0.190 3.930 4.120 -0.000 0.000 0.243 12 V C 2.495 178.528 176.094 -0.103 0.000 1.039 12 V CA 2.106 64.285 62.300 -0.201 0.000 1.016 12 V CB -0.951 30.564 31.823 -0.514 0.000 0.650 12 V HN 0.490 nan 8.190 nan 0.000 0.449 13 N N 0.620 119.309 118.700 -0.019 0.000 2.104 13 N HA -0.206 4.534 4.740 -0.000 0.000 0.190 13 N C 2.031 177.520 175.510 -0.035 0.000 1.024 13 N CA 2.073 55.159 53.050 0.060 0.000 0.853 13 N CB -0.222 38.359 38.487 0.155 0.000 1.008 13 N HN 0.561 nan 8.380 nan 0.000 0.424 14 R N 0.743 121.219 120.500 -0.040 0.000 2.189 14 R HA 0.020 4.360 4.340 -0.000 0.000 0.218 14 R C 2.185 178.447 176.300 -0.064 0.000 1.074 14 R CA 1.504 57.578 56.100 -0.042 0.000 0.991 14 R CB -1.329 28.953 30.300 -0.030 0.000 0.883 14 R HN 0.251 nan 8.270 nan 0.000 0.457 15 T N -0.154 114.349 114.554 -0.085 0.000 3.004 15 T HA 0.133 4.483 4.350 -0.000 0.000 0.243 15 T C 1.760 176.359 174.700 -0.167 0.000 1.020 15 T CA 0.935 62.981 62.100 -0.091 0.000 1.145 15 T CB -0.030 68.804 68.868 -0.056 0.000 0.876 15 T HN 0.221 nan 8.240 nan 0.000 0.449 16 I N 1.603 122.008 120.570 -0.275 0.000 2.353 16 I HA -0.086 4.084 4.170 -0.000 0.000 0.248 16 I C 2.524 178.330 176.117 -0.519 0.000 1.119 16 I CA 1.169 62.175 61.300 -0.490 0.000 1.417 16 I CB -0.576 36.851 38.000 -0.954 0.000 1.078 16 I HN 0.211 nan 8.210 nan 0.000 0.421 17 T N 1.412 115.714 114.554 -0.420 0.000 2.597 17 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 17 T C -0.300 174.278 174.700 -0.204 0.000 1.053 17 T CA 2.146 64.073 62.100 -0.288 0.000 1.165 17 T CB -1.467 67.321 68.868 -0.134 0.000 0.863 17 T HN 0.231 nan 8.240 nan 0.000 0.427 18 P HA 0.034 nan 4.420 nan 0.000 0.218 18 P C 1.722 178.938 177.300 -0.140 0.000 1.149 18 P CA 0.610 63.641 63.100 -0.116 0.000 0.817 18 P CB -0.168 31.482 31.700 -0.084 0.000 0.785 19 L N -1.405 119.709 121.223 -0.181 0.000 1.994 19 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 19 L C 2.248 178.955 176.870 -0.271 0.000 1.071 19 L CA 1.964 56.675 54.840 -0.215 0.000 0.745 19 L CB -0.524 41.394 42.059 -0.236 0.000 0.892 19 L HN -0.025 nan 8.230 nan 0.000 0.431 20 M N -0.862 118.562 119.600 -0.294 0.000 2.159 20 M HA -0.275 4.205 4.480 -0.000 0.000 0.263 20 M C 2.184 178.383 176.300 -0.168 0.000 1.063 20 M CA 1.807 56.956 55.300 -0.251 0.000 1.110 20 M CB -0.361 32.094 32.600 -0.241 0.000 1.374 20 M HN 0.325 nan 8.290 nan 0.000 0.411 21 Q N 0.142 119.856 119.800 -0.144 0.000 2.084 21 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 21 Q C 1.867 177.816 176.000 -0.085 0.000 0.978 21 Q CA 1.526 57.271 55.803 -0.096 0.000 0.844 21 Q CB -0.140 28.552 28.738 -0.076 0.000 0.898 21 Q HN 0.601 nan 8.270 nan 0.000 0.426 22 E N 0.130 120.274 120.200 -0.093 0.000 2.076 22 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 22 E C 1.844 178.402 176.600 -0.070 0.000 0.979 22 E CA 0.621 56.979 56.400 -0.070 0.000 0.807 22 E CB 0.196 29.858 29.700 -0.064 0.000 0.761 22 E HN 0.272 nan 8.360 nan 0.000 0.454 23 Q N -0.466 119.266 119.800 -0.114 0.000 2.403 23 Q HA 0.169 4.509 4.340 -0.000 0.000 0.203 23 Q C 0.521 176.473 176.000 -0.082 0.000 0.932 23 Q CA 0.540 56.280 55.803 -0.105 0.000 0.945 23 Q CB 0.918 29.514 28.738 -0.236 0.000 1.045 23 Q HN 0.260 nan 8.270 nan 0.000 0.511 24 A N 1.282 124.052 122.820 -0.085 0.000 2.791 24 A HA -0.200 4.119 4.320 -0.000 0.000 0.292 24 A C 0.127 177.677 177.584 -0.057 0.000 1.487 24 A CA 0.316 52.316 52.037 -0.062 0.000 0.760 24 A CB -2.420 16.556 19.000 -0.039 0.000 1.031 24 A HN 0.414 nan 8.150 nan 0.000 0.503 25 I N -0.423 120.094 120.570 -0.088 0.000 2.379 25 I HA 0.143 4.312 4.170 -0.000 0.000 0.290 25 I C -0.837 175.277 176.117 -0.005 0.000 1.063 25 I CA -1.869 59.407 61.300 -0.041 0.000 1.351 25 I CB 0.921 38.861 38.000 -0.100 0.000 1.410 25 I HN 0.097 nan 8.210 nan 0.000 0.505 26 P HA -0.053 nan 4.420 nan 0.000 0.216 26 P C 0.478 177.847 177.300 0.114 0.000 1.153 26 P CA 0.613 63.706 63.100 -0.010 0.000 0.848 26 P CB 0.285 31.885 31.700 -0.167 0.000 0.787 27 G N -0.684 108.250 108.800 0.224 0.000 2.666 27 G HA2 0.653 4.612 3.960 -0.000 0.000 0.303 27 G HA3 0.653 4.612 3.960 -0.000 0.000 0.303 27 G C -1.040 174.129 174.900 0.447 0.000 1.412 27 G CA -0.418 44.903 45.100 0.368 0.000 0.979 27 G HN -0.150 nan 8.290 nan 0.000 0.507 28 M N 1.283 121.162 119.600 0.464 0.000 2.535 28 M HA 0.679 5.159 4.480 -0.000 0.000 0.314 28 M C -0.341 176.322 176.300 0.606 0.000 1.153 28 M CA -0.880 54.692 55.300 0.453 0.000 0.924 28 M CB 2.675 35.459 32.600 0.306 0.000 1.710 28 M HN 0.588 nan 8.290 nan 0.000 0.451 29 A N 2.187 125.207 122.820 0.334 0.000 2.356 29 A HA 0.819 5.138 4.320 -0.000 0.000 0.310 29 A C -0.976 176.840 177.584 0.386 0.000 1.075 29 A CA -0.710 51.547 52.037 0.367 0.000 0.746 29 A CB 1.432 20.620 19.000 0.313 0.000 1.221 29 A HN 0.806 nan 8.150 nan 0.000 0.443 30 V N -0.021 120.235 119.914 0.571 0.000 2.876 30 V HA 0.970 5.090 4.120 -0.000 0.000 0.312 30 V C -0.287 176.148 176.094 0.569 0.000 1.085 30 V CA -0.242 62.376 62.300 0.530 0.000 0.945 30 V CB 1.613 33.763 31.823 0.545 0.000 1.017 30 V HN 1.922 nan 8.190 nan 0.000 0.428 31 A N 4.077 127.164 122.820 0.446 0.000 2.318 31 A HA 0.866 5.186 4.320 -0.000 0.000 0.317 31 A C -0.847 176.939 177.584 0.336 0.000 1.159 31 A CA -0.651 51.631 52.037 0.409 0.000 0.799 31 A CB 1.693 20.932 19.000 0.398 0.000 1.194 31 A HN 1.392 nan 8.150 nan 0.000 0.479 32 V N 3.479 123.602 119.914 0.347 0.000 2.417 32 V HA 0.434 4.554 4.120 -0.000 0.000 0.291 32 V C -0.619 175.628 176.094 0.255 0.000 1.024 32 V CA -0.362 62.114 62.300 0.294 0.000 0.861 32 V CB 1.457 33.460 31.823 0.300 0.000 0.985 32 V HN 0.813 nan 8.190 nan 0.000 0.436 33 I N 6.242 126.922 120.570 0.184 0.000 2.330 33 I HA 0.548 4.718 4.170 -0.000 0.000 0.289 33 I C -1.499 174.739 176.117 0.202 0.000 1.001 33 I CA -0.199 61.188 61.300 0.146 0.000 1.193 33 I CB 0.999 39.012 38.000 0.022 0.000 1.345 33 I HN 0.619 nan 8.210 nan 0.000 0.461 34 Y N 6.855 127.222 120.300 0.112 0.000 2.327 34 Y HA 0.406 4.956 4.550 -0.000 0.000 0.325 34 Y C -0.043 175.901 175.900 0.073 0.000 0.999 34 Y CA -0.878 57.263 58.100 0.069 0.000 1.195 34 Y CB 1.041 39.529 38.460 0.047 0.000 1.132 34 Y HN 0.795 nan 8.280 nan 0.000 0.455 35 Q N 4.712 124.233 119.800 -0.466 0.000 2.463 35 Q HA -0.226 4.114 4.340 -0.000 0.000 0.299 35 Q C 1.106 176.987 176.000 -0.198 0.000 1.353 35 Q CA 1.348 56.913 55.803 -0.396 0.000 0.828 35 Q CB -1.322 27.073 28.738 -0.572 0.000 1.157 35 Q HN 1.451 nan 8.270 nan 0.000 0.436 36 G N -0.981 107.730 108.800 -0.149 0.000 2.212 36 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.266 36 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.266 36 G C -0.019 174.814 174.900 -0.112 0.000 0.978 36 G CA 0.784 45.802 45.100 -0.137 0.000 0.632 36 G HN 0.234 nan 8.290 nan 0.000 0.537 37 K N 1.030 121.391 120.400 -0.066 0.000 2.270 37 K HA 0.513 4.833 4.320 -0.000 0.000 0.255 37 K C -2.863 173.632 176.600 -0.174 0.000 0.936 37 K CA -1.849 54.355 56.287 -0.138 0.000 0.809 37 K CB 3.247 35.656 32.500 -0.152 0.000 1.131 37 K HN 0.113 nan 8.250 nan 0.000 0.427 38 P HA 0.325 nan 4.420 nan 0.000 0.286 38 P C -1.394 175.377 177.300 -0.882 0.000 1.261 38 P CA -0.411 62.421 63.100 -0.447 0.000 0.821 38 P CB 0.604 32.037 31.700 -0.445 0.000 1.013 39 Y N 1.089 121.051 120.300 -0.564 0.000 2.477 39 Y HA 0.528 5.078 4.550 -0.000 0.000 0.347 39 Y C -0.299 175.146 175.900 -0.758 0.000 0.981 39 Y CA -0.588 57.141 58.100 -0.619 0.000 1.033 39 Y CB 2.063 40.420 38.460 -0.171 0.000 1.245 39 Y HN 0.275 nan 8.280 nan 0.000 0.455 40 Y N 1.945 121.907 120.300 -0.565 0.000 2.477 40 Y HA 0.680 5.230 4.550 -0.000 0.000 0.347 40 Y C -1.253 173.992 175.900 -1.092 0.000 0.981 40 Y CA -1.855 55.944 58.100 -0.501 0.000 1.033 40 Y CB 1.559 39.877 38.460 -0.235 0.000 1.245 40 Y HN 0.392 nan 8.280 nan 0.000 0.455 41 F N 0.625 120.617 119.950 0.069 0.000 2.569 41 F HA 0.695 5.222 4.527 -0.000 0.000 0.312 41 F C -0.254 175.283 175.800 -0.438 0.000 1.109 41 F CA -0.902 56.890 58.000 -0.347 0.000 0.919 41 F CB 2.620 41.344 39.000 -0.461 0.000 1.211 41 F HN 0.415 nan 8.300 nan 0.000 0.446 42 T N -1.044 113.211 114.554 -0.498 0.000 2.912 42 T HA 0.619 4.968 4.350 -0.000 0.000 0.299 42 T C -1.664 172.820 174.700 -0.361 0.000 1.052 42 T CA -0.694 61.273 62.100 -0.222 0.000 0.996 42 T CB 1.610 70.473 68.868 -0.008 0.000 1.070 42 T HN 0.575 nan 8.240 nan 0.000 0.465 43 W N 1.250 122.672 121.300 0.204 0.000 3.129 43 W HA 0.524 5.184 4.660 -0.000 0.000 0.333 43 W C 0.791 177.404 176.519 0.156 0.000 1.141 43 W CA -0.009 57.431 57.345 0.158 0.000 1.224 43 W CB 1.704 31.244 29.460 0.132 0.000 1.393 43 W HN 1.435 nan 8.180 nan 0.000 0.499 44 G N 2.718 111.724 108.800 0.342 0.000 2.525 44 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.248 44 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.248 44 G C -0.653 174.367 174.900 0.200 0.000 1.238 44 G CA 0.103 45.345 45.100 0.238 0.000 0.926 44 G HN 0.591 nan 8.290 nan 0.000 0.574 45 K N -0.510 119.993 120.400 0.171 0.000 2.259 45 K HA 0.836 5.155 4.320 -0.000 0.000 0.252 45 K C 0.764 177.490 176.600 0.210 0.000 0.936 45 K CA -0.118 56.266 56.287 0.162 0.000 0.810 45 K CB 2.184 34.742 32.500 0.096 0.000 1.143 45 K HN 1.259 nan 8.250 nan 0.000 0.427 46 A N 1.600 124.557 122.820 0.228 0.000 2.072 46 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 46 A C 0.072 177.855 177.584 0.332 0.000 1.156 46 A CA 1.087 53.266 52.037 0.237 0.000 0.701 46 A CB -0.120 18.962 19.000 0.136 0.000 0.816 46 A HN 0.831 nan 8.150 nan 0.000 0.458 47 D N -0.619 119.967 120.400 0.310 0.000 2.470 47 D HA 0.281 4.921 4.640 -0.000 0.000 0.233 47 D C 0.761 177.150 176.300 0.147 0.000 1.372 47 D CA -0.464 53.730 54.000 0.323 0.000 0.994 47 D CB 0.729 41.725 40.800 0.326 0.000 1.377 47 D HN -0.026 nan 8.370 nan 0.000 0.586 48 I N 1.989 122.651 120.570 0.152 0.000 2.090 48 I HA -0.198 3.972 4.170 -0.000 0.000 0.236 48 I C 2.446 178.531 176.117 -0.054 0.000 1.064 48 I CA 1.199 62.490 61.300 -0.016 0.000 1.324 48 I CB -1.435 36.493 38.000 -0.120 0.000 1.044 48 I HN 0.421 nan 8.210 nan 0.000 0.399 49 A N 1.343 124.127 122.820 -0.060 0.000 1.908 49 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 49 A C 1.920 179.424 177.584 -0.134 0.000 1.181 49 A CA 1.821 53.793 52.037 -0.108 0.000 0.627 49 A CB -0.680 18.219 19.000 -0.168 0.000 0.818 49 A HN 0.529 nan 8.150 nan 0.000 0.445 50 N N -0.373 118.219 118.700 -0.180 0.000 2.336 50 N HA -0.040 4.700 4.740 -0.000 0.000 0.189 50 N C -0.042 175.196 175.510 -0.454 0.000 1.113 50 N CA 0.553 53.425 53.050 -0.297 0.000 0.858 50 N CB -0.096 38.197 38.487 -0.324 0.000 0.970 50 N HN 0.488 nan 8.380 nan 0.000 0.471 51 N N 1.466 120.004 118.700 -0.270 0.000 2.708 51 N HA -0.213 4.527 4.740 -0.000 0.000 0.255 51 N C -1.556 173.890 175.510 -0.108 0.000 1.046 51 N CA 0.700 53.660 53.050 -0.151 0.000 0.715 51 N CB -1.918 36.515 38.487 -0.090 0.000 0.895 51 N HN 0.498 nan 8.380 nan 0.000 0.545 52 H N -0.098 119.020 119.070 0.079 0.000 2.529 52 H HA 0.487 5.043 4.556 -0.000 0.000 0.348 52 H C -2.229 173.153 175.328 0.090 0.000 1.079 52 H CA -1.919 54.178 56.048 0.083 0.000 1.198 52 H CB 1.751 31.571 29.762 0.097 0.000 1.521 52 H HN 0.171 nan 8.280 nan 0.000 0.514 53 P HA 0.016 nan 4.420 nan 0.000 0.281 53 P C -0.178 177.218 177.300 0.160 0.000 1.249 53 P CA -0.603 62.594 63.100 0.162 0.000 0.810 53 P CB 1.384 33.155 31.700 0.119 0.000 1.008 54 V N -0.266 119.757 119.914 0.182 0.000 2.599 54 V HA 0.375 4.495 4.120 -0.000 0.000 0.300 54 V C 0.453 176.637 176.094 0.150 0.000 1.034 54 V CA 0.448 62.874 62.300 0.211 0.000 1.115 54 V CB -0.328 31.679 31.823 0.308 0.000 0.934 54 V HN 0.664 nan 8.190 nan 0.000 0.485 55 T N 2.394 117.022 114.554 0.122 0.000 2.864 55 T HA 0.318 4.668 4.350 -0.000 0.000 0.299 55 T C 0.603 175.330 174.700 0.044 0.000 1.166 55 T CA -0.459 61.674 62.100 0.056 0.000 1.007 55 T CB 2.095 70.970 68.868 0.011 0.000 1.219 55 T HN 0.816 nan 8.240 nan 0.000 0.506 56 Q N 0.407 120.185 119.800 -0.036 0.000 2.376 56 Q HA -0.163 4.177 4.340 -0.000 0.000 0.211 56 Q C 1.238 177.142 176.000 -0.161 0.000 0.986 56 Q CA 1.549 57.280 55.803 -0.121 0.000 0.886 56 Q CB 0.077 28.669 28.738 -0.243 0.000 0.927 56 Q HN 0.407 nan 8.270 nan 0.000 0.457 57 Q N -0.954 118.757 119.800 -0.148 0.000 2.384 57 Q HA 0.084 4.424 4.340 -0.000 0.000 0.207 57 Q C -0.043 175.903 176.000 -0.091 0.000 0.904 57 Q CA 0.272 55.941 55.803 -0.223 0.000 0.933 57 Q CB 0.843 29.447 28.738 -0.224 0.000 1.077 57 Q HN 0.093 nan 8.270 nan 0.000 0.522 58 T N 1.364 115.904 114.554 -0.024 0.000 2.928 58 T HA 0.150 4.500 4.350 -0.000 0.000 0.305 58 T C -0.041 174.632 174.700 -0.045 0.000 1.035 58 T CA 0.184 62.249 62.100 -0.059 0.000 1.145 58 T CB 0.201 68.987 68.868 -0.138 0.000 0.963 58 T HN 0.131 nan 8.240 nan 0.000 0.545 59 L N 4.035 125.214 121.223 -0.073 0.000 2.276 59 L HA 0.519 4.859 4.340 -0.000 0.000 0.286 59 L C -0.437 176.374 176.870 -0.097 0.000 1.061 59 L CA -0.568 54.247 54.840 -0.042 0.000 0.807 59 L CB 0.375 42.350 42.059 -0.141 0.000 1.177 59 L HN 0.530 nan 8.230 nan 0.000 0.429 60 F N 0.703 120.666 119.950 0.023 0.000 2.480 60 F HA 0.368 4.895 4.527 -0.000 0.000 0.329 60 F C 0.495 176.025 175.800 -0.451 0.000 1.091 60 F CA -0.780 57.177 58.000 -0.072 0.000 0.972 60 F CB 1.621 40.763 39.000 0.236 0.000 1.150 60 F HN 0.442 nan 8.300 nan 0.000 0.467 61 E N 2.306 121.908 120.200 -0.997 0.000 2.354 61 E HA 0.149 4.499 4.350 -0.000 0.000 0.269 61 E C 0.011 176.538 176.600 -0.123 0.000 1.036 61 E CA -0.424 55.664 56.400 -0.520 0.000 0.876 61 E CB 0.962 30.380 29.700 -0.470 0.000 1.009 61 E HN 0.441 nan 8.360 nan 0.000 0.416 62 L N 2.178 123.378 121.223 -0.038 0.000 2.307 62 L HA 0.114 4.454 4.340 -0.000 0.000 0.211 62 L C 1.316 178.260 176.870 0.123 0.000 1.099 62 L CA 1.660 56.538 54.840 0.065 0.000 0.816 62 L CB -1.438 40.637 42.059 0.027 0.000 0.952 62 L HN 0.916 nan 8.230 nan 0.000 0.455 63 G N -0.464 108.412 108.800 0.128 0.000 2.581 63 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.291 63 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.291 63 G C 1.104 176.120 174.900 0.192 0.000 1.277 63 G CA 0.473 45.684 45.100 0.186 0.000 0.959 63 G HN 0.206 nan 8.290 nan 0.000 0.554 64 S N -0.203 115.626 115.700 0.215 0.000 2.528 64 S HA -0.032 4.438 4.470 -0.000 0.000 0.244 64 S C 2.407 177.114 174.600 0.179 0.000 0.982 64 S CA 1.343 59.684 58.200 0.235 0.000 0.953 64 S CB -0.234 63.155 63.200 0.315 0.000 0.754 64 S HN 0.770 nan 8.310 nan 0.000 0.529 65 V N 1.492 121.501 119.914 0.159 0.000 2.490 65 V HA -0.169 3.951 4.120 -0.000 0.000 0.250 65 V C 2.203 178.409 176.094 0.186 0.000 1.061 65 V CA 1.606 63.991 62.300 0.142 0.000 1.064 65 V CB -1.087 30.848 31.823 0.187 0.000 0.670 65 V HN 0.456 nan 8.190 nan 0.000 0.461 66 S N -0.275 115.522 115.700 0.161 0.000 2.434 66 S HA -0.337 4.132 4.470 -0.000 0.000 0.243 66 S C 1.924 176.644 174.600 0.200 0.000 1.045 66 S CA 1.821 60.102 58.200 0.136 0.000 1.019 66 S CB -0.385 62.838 63.200 0.039 0.000 0.811 66 S HN 0.632 nan 8.310 nan 0.000 0.485 67 K N 0.453 120.947 120.400 0.156 0.000 2.288 67 K HA -0.057 4.263 4.320 -0.000 0.000 0.201 67 K C 2.474 179.099 176.600 0.041 0.000 1.048 67 K CA 1.410 57.775 56.287 0.130 0.000 0.956 67 K CB -0.230 32.372 32.500 0.170 0.000 0.746 67 K HN 0.649 nan 8.250 nan 0.000 0.461 68 T N -1.696 112.800 114.554 -0.096 0.000 2.904 68 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 68 T C 1.703 176.438 174.700 0.059 0.000 1.059 68 T CA 0.730 62.590 62.100 -0.400 0.000 1.137 68 T CB -0.308 67.888 68.868 -1.120 0.000 0.879 68 T HN -0.003 nan 8.240 nan 0.000 0.467 69 F N 2.388 122.431 119.950 0.155 0.000 2.163 69 F HA 0.102 4.629 4.527 -0.000 0.000 0.297 69 F C 2.749 178.645 175.800 0.159 0.000 1.094 69 F CA 0.875 58.965 58.000 0.150 0.000 1.290 69 F CB -0.704 38.197 39.000 -0.165 0.000 1.017 69 F HN 0.168 nan 8.300 nan 0.000 0.483 70 N N 0.905 119.817 118.700 0.353 0.000 2.060 70 N HA -0.180 4.560 4.740 -0.000 0.000 0.195 70 N C 2.101 177.795 175.510 0.306 0.000 1.028 70 N CA 1.908 55.170 53.050 0.354 0.000 0.861 70 N CB -0.826 37.843 38.487 0.304 0.000 1.029 70 N HN 0.333 nan 8.380 nan 0.000 0.428 71 G N 0.282 109.224 108.800 0.235 0.000 2.394 71 G HA2 -0.112 3.847 3.960 -0.000 0.000 0.215 71 G HA3 -0.112 3.847 3.960 -0.000 0.000 0.215 71 G C 1.857 176.898 174.900 0.235 0.000 1.165 71 G CA 0.796 46.038 45.100 0.237 0.000 0.784 71 G HN 0.248 nan 8.290 nan 0.000 0.535 72 V N 0.857 120.907 119.914 0.227 0.000 2.324 72 V HA -0.184 3.936 4.120 -0.000 0.000 0.250 72 V C 2.700 178.895 176.094 0.168 0.000 1.060 72 V CA 1.866 64.296 62.300 0.217 0.000 1.042 72 V CB -0.423 31.566 31.823 0.276 0.000 0.650 72 V HN 0.382 nan 8.190 nan 0.000 0.450 73 L N 1.032 122.345 121.223 0.150 0.000 2.109 73 L HA 0.103 4.443 4.340 -0.000 0.000 0.207 73 L C 2.323 179.206 176.870 0.022 0.000 1.086 73 L CA 2.292 57.160 54.840 0.047 0.000 0.760 73 L CB -1.385 40.635 42.059 -0.065 0.000 0.910 73 L HN 0.238 nan 8.230 nan 0.000 0.437 74 G N -0.395 108.458 108.800 0.089 0.000 2.553 74 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.218 74 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.218 74 G C 1.535 176.521 174.900 0.144 0.000 1.195 74 G CA 0.789 45.973 45.100 0.140 0.000 0.779 74 G HN 0.599 nan 8.290 nan 0.000 0.577 75 G N 0.181 109.077 108.800 0.159 0.000 2.442 75 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 75 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 75 G C 1.519 176.472 174.900 0.087 0.000 1.141 75 G CA 1.356 46.535 45.100 0.132 0.000 0.763 75 G HN 0.482 nan 8.290 nan 0.000 0.554 76 D N 0.984 121.426 120.400 0.069 0.000 2.097 76 D HA -0.092 4.548 4.640 -0.000 0.000 0.195 76 D C 2.787 179.098 176.300 0.019 0.000 0.989 76 D CA 1.260 55.282 54.000 0.037 0.000 0.827 76 D CB -0.119 40.698 40.800 0.028 0.000 0.966 76 D HN 0.244 nan 8.370 nan 0.000 0.456 77 A N 0.761 123.583 122.820 0.003 0.000 1.940 77 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 77 A C 2.432 180.024 177.584 0.013 0.000 1.176 77 A CA 0.994 53.023 52.037 -0.014 0.000 0.631 77 A CB -0.644 18.317 19.000 -0.066 0.000 0.814 77 A HN 0.350 nan 8.150 nan 0.000 0.446 78 I N -0.251 120.344 120.570 0.041 0.000 2.142 78 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 78 I C 2.968 179.114 176.117 0.048 0.000 1.078 78 I CA 1.108 62.443 61.300 0.058 0.000 1.343 78 I CB -0.481 37.572 38.000 0.088 0.000 1.046 78 I HN 0.322 nan 8.210 nan 0.000 0.405 79 A N 0.891 123.738 122.820 0.045 0.000 1.986 79 A HA -0.236 4.083 4.320 -0.000 0.000 0.220 79 A C 2.335 179.933 177.584 0.023 0.000 1.171 79 A CA 1.742 53.799 52.037 0.033 0.000 0.640 79 A CB -0.685 18.332 19.000 0.029 0.000 0.811 79 A HN 0.392 nan 8.150 nan 0.000 0.451 80 R N -1.950 118.562 120.500 0.019 0.000 2.236 80 R HA 0.163 4.503 4.340 -0.000 0.000 0.208 80 R C 1.570 177.882 176.300 0.019 0.000 1.036 80 R CA 0.636 56.743 56.100 0.013 0.000 1.001 80 R CB -0.168 30.135 30.300 0.004 0.000 0.896 80 R HN 0.734 nan 8.270 nan 0.000 0.464 81 G N 0.811 109.628 108.800 0.028 0.000 2.176 81 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.253 81 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.253 81 G C 0.681 175.608 174.900 0.045 0.000 0.979 81 G CA 0.502 45.623 45.100 0.035 0.000 0.641 81 G HN 0.447 nan 8.290 nan 0.000 0.530 82 E N -0.144 120.080 120.200 0.041 0.000 2.107 82 E HA 0.203 4.553 4.350 -0.000 0.000 0.191 82 E C 1.568 178.233 176.600 0.107 0.000 0.982 82 E CA 1.193 57.628 56.400 0.058 0.000 0.809 82 E CB 0.136 29.851 29.700 0.026 0.000 0.756 82 E HN 0.895 nan 8.360 nan 0.000 0.459 83 I N -2.505 118.106 120.570 0.069 0.000 3.042 83 I HA 0.502 4.672 4.170 -0.000 0.000 0.310 83 I C -1.151 175.021 176.117 0.090 0.000 1.117 83 I CA -1.228 60.122 61.300 0.084 0.000 1.003 83 I CB 2.318 40.241 38.000 -0.128 0.000 1.228 83 I HN -0.341 nan 8.210 nan 0.000 0.443 84 K N 2.757 123.231 120.400 0.123 0.000 2.397 84 K HA 0.380 4.700 4.320 -0.000 0.000 0.253 84 K C 0.059 176.720 176.600 0.101 0.000 0.932 84 K CA -0.900 55.450 56.287 0.104 0.000 0.795 84 K CB 2.479 35.041 32.500 0.104 0.000 1.159 84 K HN 0.484 nan 8.250 nan 0.000 0.424 85 L N 1.807 123.077 121.223 0.077 0.000 2.197 85 L HA -0.228 4.112 4.340 -0.000 0.000 0.215 85 L C 2.124 179.012 176.870 0.029 0.000 1.095 85 L CA 1.930 56.791 54.840 0.036 0.000 0.764 85 L CB -1.027 41.019 42.059 -0.022 0.000 0.897 85 L HN 0.748 nan 8.230 nan 0.000 0.436 86 S N -2.707 113.026 115.700 0.056 0.000 2.561 86 S HA -0.000 4.470 4.470 -0.000 0.000 0.225 86 S C 0.660 175.322 174.600 0.104 0.000 0.977 86 S CA -0.368 57.867 58.200 0.058 0.000 0.926 86 S CB -0.438 62.799 63.200 0.060 0.000 0.769 86 S HN 0.296 nan 8.310 nan 0.000 0.533 87 D N 4.499 124.989 120.400 0.149 0.000 2.458 87 D HA 0.257 4.897 4.640 -0.000 0.000 0.243 87 D C -2.412 174.039 176.300 0.251 0.000 1.146 87 D CA -1.407 52.730 54.000 0.228 0.000 0.877 87 D CB 0.780 41.815 40.800 0.391 0.000 1.176 87 D HN 0.230 nan 8.370 nan 0.000 0.461 88 P HA -0.003 nan 4.420 nan 0.000 0.271 88 P C 1.017 178.507 177.300 0.316 0.000 1.218 88 P CA -0.379 62.872 63.100 0.251 0.000 0.780 88 P CB 0.931 32.745 31.700 0.189 0.000 0.901 89 V N 2.276 122.390 119.914 0.333 0.000 2.392 89 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 89 V C 2.494 178.734 176.094 0.244 0.000 1.059 89 V CA 2.870 65.364 62.300 0.323 0.000 1.051 89 V CB -1.957 30.066 31.823 0.334 0.000 0.658 89 V HN 0.688 nan 8.190 nan 0.000 0.455 90 T N -1.114 113.552 114.554 0.187 0.000 2.915 90 T HA -0.250 4.100 4.350 -0.000 0.000 0.269 90 T C 1.802 176.535 174.700 0.057 0.000 1.071 90 T CA 1.439 63.601 62.100 0.102 0.000 1.132 90 T CB -0.376 68.541 68.868 0.082 0.000 0.878 90 T HN 0.526 nan 8.240 nan 0.000 0.479 91 K N 0.595 121.004 120.400 0.015 0.000 2.144 91 K HA -0.225 4.094 4.320 -0.000 0.000 0.209 91 K C 1.319 177.684 176.600 -0.392 0.000 1.047 91 K CA 1.772 57.935 56.287 -0.206 0.000 0.927 91 K CB -0.381 31.927 32.500 -0.320 0.000 0.716 91 K HN 0.560 nan 8.250 nan 0.000 0.454 92 Y N -2.890 117.454 120.300 0.074 0.000 2.444 92 Y HA 0.155 4.705 4.550 -0.000 0.000 0.249 92 Y C 0.067 176.018 175.900 0.085 0.000 1.134 92 Y CA -0.470 57.655 58.100 0.041 0.000 1.261 92 Y CB 0.746 39.202 38.460 -0.006 0.000 1.143 92 Y HN 0.150 nan 8.280 nan 0.000 0.523 93 W N 2.322 123.619 121.300 -0.006 0.000 1.504 93 W HA 0.360 5.020 4.660 0.000 0.000 0.313 93 W C -2.504 173.966 176.519 -0.081 0.000 0.936 93 W CA -3.158 54.150 57.345 -0.063 0.000 1.471 93 W CB 0.678 30.056 29.460 -0.136 0.000 1.627 93 W HN -0.164 nan 8.180 nan 0.000 0.408 94 P HA -0.211 nan 4.420 nan 0.000 0.221 94 P C 1.318 178.581 177.300 -0.062 0.000 1.145 94 P CA 1.865 64.977 63.100 0.021 0.000 0.795 94 P CB 0.147 31.863 31.700 0.026 0.000 0.775 95 E N -0.539 119.598 120.200 -0.104 0.000 2.482 95 E HA -0.060 4.290 4.350 -0.000 0.000 0.196 95 E C 0.749 177.118 176.600 -0.385 0.000 1.047 95 E CA 0.051 56.342 56.400 -0.181 0.000 0.869 95 E CB -0.704 28.940 29.700 -0.093 0.000 0.836 95 E HN 0.194 nan 8.360 nan 0.000 0.520 96 L N 3.705 124.580 121.223 -0.579 0.000 2.376 96 L HA 0.082 4.422 4.340 -0.000 0.000 0.250 96 L C 0.061 176.760 176.870 -0.284 0.000 1.335 96 L CA 0.151 54.601 54.840 -0.650 0.000 1.214 96 L CB -0.688 40.804 42.059 -0.943 0.000 1.395 96 L HN 0.062 nan 8.230 nan 0.000 0.424 97 T N -0.769 113.685 114.554 -0.167 0.000 2.810 97 T HA 0.798 5.148 4.350 -0.000 0.000 0.277 97 T C 0.409 175.129 174.700 0.033 0.000 0.973 97 T CA -0.250 61.825 62.100 -0.041 0.000 0.949 97 T CB 1.467 70.315 68.868 -0.034 0.000 1.075 97 T HN 0.981 nan 8.240 nan 0.000 0.537 98 G N 0.483 109.324 108.800 0.069 0.000 3.435 98 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.683 98 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.683 98 G C 0.155 175.140 174.900 0.142 0.000 1.189 98 G CA -0.279 44.888 45.100 0.112 0.000 1.069 98 G HN 0.686 nan 8.290 nan 0.000 0.508 99 K N 0.669 121.107 120.400 0.062 0.000 2.286 99 K HA -0.179 4.141 4.320 -0.000 0.000 0.203 99 K C 2.684 179.293 176.600 0.016 0.000 1.045 99 K CA 1.873 58.182 56.287 0.037 0.000 0.935 99 K CB 0.044 32.545 32.500 0.001 0.000 0.737 99 K HN 0.808 nan 8.250 nan 0.000 0.460 100 Q N -0.855 118.928 119.800 -0.029 0.000 2.297 100 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 100 Q C 1.296 177.184 176.000 -0.188 0.000 0.962 100 Q CA 1.073 56.768 55.803 -0.180 0.000 0.879 100 Q CB -0.409 28.100 28.738 -0.380 0.000 0.947 100 Q HN 0.377 nan 8.270 nan 0.000 0.462 101 W N 1.883 123.228 121.300 0.076 0.000 2.770 101 W HA 0.127 4.787 4.660 0.000 0.000 0.256 101 W C 2.332 178.912 176.519 0.103 0.000 1.291 101 W CA 0.159 57.577 57.345 0.122 0.000 1.396 101 W CB 0.175 29.691 29.460 0.094 0.000 1.114 101 W HN 0.183 nan 8.180 nan 0.000 0.637 102 Q N -0.225 119.707 119.800 0.220 0.000 1.991 102 Q HA -0.227 4.113 4.340 -0.000 0.000 0.213 102 Q C 2.112 178.206 176.000 0.157 0.000 1.022 102 Q CA 1.960 57.859 55.803 0.160 0.000 0.877 102 Q CB -1.113 27.682 28.738 0.095 0.000 0.970 102 Q HN 0.365 nan 8.270 nan 0.000 0.414 103 G N -0.144 108.726 108.800 0.117 0.000 3.279 103 G HA2 0.227 4.187 3.960 -0.000 0.000 0.230 103 G HA3 0.227 4.187 3.960 -0.000 0.000 0.230 103 G C 0.229 175.264 174.900 0.225 0.000 1.230 103 G CA -0.173 45.014 45.100 0.144 0.000 0.891 103 G HN 0.115 nan 8.290 nan 0.000 0.518 104 I N 0.680 121.420 120.570 0.283 0.000 2.354 104 I HA 0.410 4.580 4.170 -0.000 0.000 0.292 104 I C 0.090 176.500 176.117 0.488 0.000 0.989 104 I CA -0.778 60.770 61.300 0.414 0.000 1.188 104 I CB 1.532 39.732 38.000 0.332 0.000 1.342 104 I HN 0.011 nan 8.210 nan 0.000 0.457 105 R N 4.844 125.695 120.500 0.586 0.000 2.828 105 R HA 0.500 4.840 4.340 -0.000 0.000 0.264 105 R C 0.918 177.325 176.300 0.177 0.000 1.022 105 R CA -0.902 55.349 56.100 0.251 0.000 1.021 105 R CB 1.483 31.800 30.300 0.029 0.000 1.163 105 R HN 0.543 nan 8.270 nan 0.000 0.494 106 L N 1.084 122.399 121.223 0.154 0.000 2.021 106 L HA -0.279 4.061 4.340 -0.000 0.000 0.215 106 L C 2.425 179.275 176.870 -0.034 0.000 1.074 106 L CA 1.515 56.452 54.840 0.161 0.000 0.760 106 L CB -0.490 41.690 42.059 0.202 0.000 0.889 106 L HN 0.627 nan 8.230 nan 0.000 0.433 107 L N -0.466 120.676 121.223 -0.135 0.000 2.089 107 L HA -0.342 3.998 4.340 -0.000 0.000 0.213 107 L C 2.463 179.235 176.870 -0.163 0.000 1.079 107 L CA 1.990 56.690 54.840 -0.235 0.000 0.758 107 L CB -0.374 41.560 42.059 -0.209 0.000 0.891 107 L HN 0.421 nan 8.230 nan 0.000 0.433 108 H N -0.962 118.144 119.070 0.060 0.000 2.343 108 H HA -0.077 4.479 4.556 0.000 0.000 0.303 108 H C 2.351 177.659 175.328 -0.033 0.000 1.068 108 H CA 1.151 57.235 56.048 0.060 0.000 1.359 108 H CB 0.032 29.867 29.762 0.122 0.000 1.402 108 H HN 0.264 nan 8.280 nan 0.000 0.515 109 L N 0.287 121.578 121.223 0.113 0.000 2.079 109 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 109 L C 2.708 179.479 176.870 -0.165 0.000 1.081 109 L CA 0.934 55.814 54.840 0.065 0.000 0.752 109 L CB -0.466 41.699 42.059 0.176 0.000 0.896 109 L HN 0.365 nan 8.230 nan 0.000 0.433 110 A N -0.281 122.272 122.820 -0.445 0.000 1.968 110 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 110 A C 2.054 179.186 177.584 -0.754 0.000 1.169 110 A CA 1.925 53.433 52.037 -0.881 0.000 0.638 110 A CB -0.555 17.467 19.000 -1.630 0.000 0.812 110 A HN 0.499 nan 8.150 nan 0.000 0.446 111 T N -6.470 107.762 114.554 -0.537 0.000 3.132 111 T HA 0.354 4.704 4.350 -0.000 0.000 0.274 111 T C 0.114 174.586 174.700 -0.379 0.000 1.011 111 T CA 0.139 61.958 62.100 -0.470 0.000 0.899 111 T CB -0.431 68.425 68.868 -0.018 0.000 1.089 111 T HN 0.592 nan 8.240 nan 0.000 0.543 112 Y N 0.803 121.044 120.300 -0.100 0.000 4.366 112 Y HA -0.251 4.299 4.550 -0.000 0.000 0.236 112 Y C 1.284 177.128 175.900 -0.094 0.000 1.142 112 Y CA 0.508 58.567 58.100 -0.070 0.000 2.024 112 Y CB -3.071 35.367 38.460 -0.037 0.000 1.621 112 Y HN 0.606 nan 8.280 nan 0.000 0.694 113 T N -4.244 110.273 114.554 -0.063 0.000 3.215 113 T HA 0.689 5.039 4.350 -0.000 0.000 0.271 113 T C 1.469 176.163 174.700 -0.010 0.000 1.012 113 T CA 0.222 62.230 62.100 -0.152 0.000 0.899 113 T CB 0.526 69.044 68.868 -0.584 0.000 1.089 113 T HN 0.469 nan 8.240 nan 0.000 0.552 114 A N 1.428 124.297 122.820 0.082 0.000 2.014 114 A HA 0.570 4.890 4.320 -0.000 0.000 0.218 114 A C 1.727 179.410 177.584 0.165 0.000 1.163 114 A CA 0.584 52.660 52.037 0.066 0.000 0.652 114 A CB -0.772 18.264 19.000 0.059 0.000 0.808 114 A HN 1.571 nan 8.150 nan 0.000 0.449 115 G N -2.960 106.024 108.800 0.306 0.000 2.857 115 G HA2 0.455 4.415 3.960 -0.000 0.000 0.166 115 G HA3 0.455 4.415 3.960 -0.000 0.000 0.166 115 G C 0.917 176.092 174.900 0.459 0.000 1.060 115 G CA 0.374 45.758 45.100 0.475 0.000 0.976 115 G HN 1.941 nan 8.290 nan 0.000 0.549 116 G N -0.946 108.160 108.800 0.510 0.000 2.179 116 G HA2 -0.126 3.833 3.960 -0.000 0.000 0.220 116 G HA3 -0.126 3.833 3.960 -0.000 0.000 0.220 116 G C 0.648 175.782 174.900 0.391 0.000 0.990 116 G CA 0.020 45.248 45.100 0.213 0.000 0.646 116 G HN 1.452 nan 8.290 nan 0.000 0.517 117 L N 3.010 124.370 121.223 0.228 0.000 2.667 117 L HA 0.171 4.511 4.340 -0.000 0.000 0.278 117 L C -0.903 176.015 176.870 0.081 0.000 1.217 117 L CA -0.794 53.964 54.840 -0.138 0.000 0.935 117 L CB 0.184 42.052 42.059 -0.319 0.000 1.193 117 L HN 0.111 nan 8.230 nan 0.000 0.493 118 P HA -0.052 nan 4.420 nan 0.000 0.272 118 P C 0.569 177.930 177.300 0.103 0.000 1.223 118 P CA -0.484 62.706 63.100 0.150 0.000 0.784 118 P CB 1.074 32.895 31.700 0.201 0.000 0.923 119 L N 1.335 122.614 121.223 0.092 0.000 1.990 119 L HA -0.146 4.194 4.340 -0.000 0.000 0.213 119 L C 1.034 177.926 176.870 0.036 0.000 1.072 119 L CA 2.192 57.072 54.840 0.066 0.000 0.755 119 L CB -0.892 41.223 42.059 0.092 0.000 0.889 119 L HN 0.425 nan 8.230 nan 0.000 0.432 120 Q N -0.594 119.220 119.800 0.024 0.000 2.306 120 Q HA 0.408 4.748 4.340 -0.000 0.000 0.265 120 Q C -0.678 175.277 176.000 -0.075 0.000 1.022 120 Q CA -0.464 55.330 55.803 -0.015 0.000 0.853 120 Q CB 1.606 30.326 28.738 -0.031 0.000 1.327 120 Q HN 0.360 nan 8.270 nan 0.000 0.449 121 I N 3.491 123.982 120.570 -0.133 0.000 2.588 121 I HA 0.344 4.514 4.170 -0.000 0.000 0.283 121 I C -2.095 173.828 176.117 -0.323 0.000 1.119 121 I CA -1.815 59.250 61.300 -0.392 0.000 1.419 121 I CB 1.011 38.747 38.000 -0.440 0.000 1.394 121 I HN 0.569 nan 8.210 nan 0.000 0.562 122 P HA 0.019 nan 4.420 nan 0.000 0.265 122 P C 0.063 177.279 177.300 -0.139 0.000 1.187 122 P CA -0.049 62.935 63.100 -0.195 0.000 0.766 122 P CB 0.481 32.085 31.700 -0.161 0.000 0.820 123 D N 1.660 122.016 120.400 -0.074 0.000 2.172 123 D HA -0.200 4.440 4.640 -0.000 0.000 0.196 123 D C 0.991 177.271 176.300 -0.034 0.000 0.999 123 D CA 1.629 55.604 54.000 -0.042 0.000 0.856 123 D CB -0.304 40.483 40.800 -0.022 0.000 0.934 123 D HN 0.575 nan 8.370 nan 0.000 0.453 124 D N -0.455 119.926 120.400 -0.033 0.000 2.363 124 D HA -0.080 4.560 4.640 -0.000 0.000 0.226 124 D C 0.741 177.029 176.300 -0.020 0.000 1.020 124 D CA -0.071 53.919 54.000 -0.016 0.000 0.892 124 D CB -0.085 40.715 40.800 0.000 0.000 0.900 124 D HN 0.079 nan 8.370 nan 0.000 0.531 125 V N -0.249 119.633 119.914 -0.054 0.000 2.318 125 V HA 0.427 4.547 4.120 -0.000 0.000 0.271 125 V C 0.320 176.394 176.094 -0.034 0.000 1.030 125 V CA -0.676 61.596 62.300 -0.048 0.000 0.844 125 V CB 1.051 32.811 31.823 -0.105 0.000 1.015 125 V HN 0.062 nan 8.190 nan 0.000 0.460 126 R N 3.386 123.885 120.500 -0.002 0.000 2.487 126 R HA 0.313 4.653 4.340 -0.000 0.000 0.272 126 R C -0.545 175.765 176.300 0.015 0.000 0.928 126 R CA 0.527 56.630 56.100 0.004 0.000 1.077 126 R CB 0.849 31.153 30.300 0.006 0.000 1.265 126 R HN 0.966 nan 8.270 nan 0.000 0.537 127 D N -1.856 118.562 120.400 0.031 0.000 2.626 127 D HA 0.197 4.837 4.640 -0.000 0.000 0.278 127 D C 0.415 176.760 176.300 0.077 0.000 1.211 127 D CA -0.829 53.197 54.000 0.043 0.000 0.903 127 D CB 0.859 41.682 40.800 0.039 0.000 1.408 127 D HN -0.467 nan 8.370 nan 0.000 0.454 128 K N 0.093 120.545 120.400 0.086 0.000 2.097 128 K HA 0.007 4.327 4.320 -0.000 0.000 0.206 128 K C 1.945 178.662 176.600 0.195 0.000 1.049 128 K CA 1.494 57.867 56.287 0.142 0.000 0.933 128 K CB -0.874 31.696 32.500 0.116 0.000 0.717 128 K HN 0.569 nan 8.250 nan 0.000 0.442 129 A N 1.434 124.338 122.820 0.141 0.000 1.908 129 A HA -0.133 4.186 4.320 -0.000 0.000 0.218 129 A C 2.411 180.095 177.584 0.167 0.000 1.181 129 A CA 2.286 54.404 52.037 0.137 0.000 0.627 129 A CB -0.636 18.415 19.000 0.084 0.000 0.818 129 A HN 0.303 nan 8.150 nan 0.000 0.445 130 A N -0.646 122.262 122.820 0.146 0.000 1.841 130 A HA 0.033 4.353 4.320 -0.000 0.000 0.214 130 A C 2.083 179.817 177.584 0.251 0.000 1.195 130 A CA 1.594 53.731 52.037 0.167 0.000 0.611 130 A CB -0.835 18.221 19.000 0.093 0.000 0.835 130 A HN 0.599 nan 8.150 nan 0.000 0.443 131 L N -0.581 120.776 121.223 0.223 0.000 2.030 131 L HA -0.256 4.084 4.340 -0.000 0.000 0.222 131 L C 2.392 179.537 176.870 0.457 0.000 1.082 131 L CA 2.521 57.551 54.840 0.318 0.000 0.785 131 L CB -0.713 41.563 42.059 0.361 0.000 0.895 131 L HN 0.466 nan 8.230 nan 0.000 0.439 132 L N -1.065 120.410 121.223 0.419 0.000 1.970 132 L HA -0.290 4.050 4.340 -0.000 0.000 0.212 132 L C 2.626 179.557 176.870 0.101 0.000 1.071 132 L CA 2.359 57.305 54.840 0.178 0.000 0.751 132 L CB -1.249 40.863 42.059 0.089 0.000 0.889 132 L HN 0.533 nan 8.230 nan 0.000 0.432 133 H N -1.051 118.070 119.070 0.085 0.000 2.325 133 H HA -0.325 4.231 4.556 -0.000 0.000 0.293 133 H C 2.172 177.576 175.328 0.126 0.000 1.106 133 H CA 2.737 58.837 56.048 0.086 0.000 1.247 133 H CB -0.459 29.357 29.762 0.091 0.000 1.359 133 H HN 0.552 nan 8.280 nan 0.000 0.488 134 F N 0.601 120.575 119.950 0.040 0.000 2.069 134 F HA -0.286 4.241 4.527 -0.000 0.000 0.298 134 F C 2.095 177.881 175.800 -0.023 0.000 1.113 134 F CA 1.639 59.607 58.000 -0.053 0.000 1.214 134 F CB -0.749 38.168 39.000 -0.138 0.000 0.978 134 F HN 0.061 nan 8.300 nan 0.000 0.474 135 Y N 0.964 121.159 120.300 -0.176 0.000 2.200 135 Y HA -0.205 4.344 4.550 -0.000 0.000 0.290 135 Y C 2.639 178.619 175.900 0.134 0.000 1.137 135 Y CA 1.405 59.434 58.100 -0.118 0.000 1.163 135 Y CB -1.105 37.312 38.460 -0.071 0.000 0.988 135 Y HN 0.137 nan 8.280 nan 0.000 0.518 136 Q N 0.112 119.965 119.800 0.089 0.000 2.096 136 Q HA -0.226 4.114 4.340 -0.000 0.000 0.208 136 Q C 1.386 177.430 176.000 0.073 0.000 0.993 136 Q CA 1.610 57.451 55.803 0.065 0.000 0.862 136 Q CB -0.502 28.186 28.738 -0.084 0.000 0.915 136 Q HN 0.523 nan 8.270 nan 0.000 0.416 137 N N -1.059 117.597 118.700 -0.074 0.000 2.280 137 N HA -0.031 4.709 4.740 -0.000 0.000 0.192 137 N C -0.212 175.260 175.510 -0.063 0.000 1.109 137 N CA -0.146 52.833 53.050 -0.118 0.000 0.855 137 N CB 0.072 38.409 38.487 -0.250 0.000 0.974 137 N HN 0.221 nan 8.380 nan 0.000 0.482 138 W N 3.640 124.796 121.300 -0.240 0.000 2.397 138 W HA 0.039 4.699 4.660 0.001 0.000 0.327 138 W C -0.409 175.984 176.519 -0.210 0.000 1.421 138 W CA 0.014 57.204 57.345 -0.259 0.000 1.288 138 W CB 0.445 29.729 29.460 -0.293 0.000 1.312 138 W HN -0.108 nan 8.180 nan 0.000 0.559 139 Q N 8.376 127.695 119.800 -0.802 0.000 2.347 139 Q HA 0.306 4.645 4.340 -0.000 0.000 0.262 139 Q C -1.992 173.196 176.000 -1.354 0.000 0.980 139 Q CA -2.331 52.925 55.803 -0.912 0.000 0.867 139 Q CB 0.867 29.323 28.738 -0.470 0.000 1.242 139 Q HN 0.337 nan 8.270 nan 0.000 0.453 140 P HA -0.039 nan 4.420 nan 0.000 0.265 140 P C 0.284 177.130 177.300 -0.756 0.000 1.187 140 P CA 0.375 62.736 63.100 -1.233 0.000 0.766 140 P CB 0.736 31.905 31.700 -0.886 0.000 0.820 141 Q N 0.858 120.186 119.800 -0.787 0.000 2.269 141 Q HA 0.005 4.345 4.340 -0.000 0.000 0.201 141 Q C 0.132 175.578 176.000 -0.923 0.000 0.946 141 Q CA 1.029 56.191 55.803 -1.068 0.000 0.877 141 Q CB 0.145 27.876 28.738 -1.678 0.000 0.963 141 Q HN 0.570 nan 8.270 nan 0.000 0.472 142 W N 0.094 121.336 121.300 -0.097 0.000 3.017 142 W HA 0.337 4.996 4.660 -0.001 0.000 0.341 142 W C 0.031 176.487 176.519 -0.105 0.000 1.180 142 W CA -0.970 56.327 57.345 -0.080 0.000 1.097 142 W CB 0.057 29.492 29.460 -0.042 0.000 1.468 142 W HN -0.215 nan 8.180 nan 0.000 0.584 143 T N -0.341 114.302 114.554 0.149 0.000 2.899 143 T HA 0.342 4.692 4.350 -0.000 0.000 0.295 143 T C -2.310 172.408 174.700 0.031 0.000 1.033 143 T CA -1.418 60.707 62.100 0.041 0.000 1.084 143 T CB 0.875 69.763 68.868 0.032 0.000 0.979 143 T HN -0.082 nan 8.240 nan 0.000 0.532 144 P HA 0.276 nan 4.420 nan 0.000 0.265 144 P C 1.135 178.354 177.300 -0.136 0.000 1.193 144 P CA 0.920 63.846 63.100 -0.289 0.000 0.765 144 P CB 0.185 31.468 31.700 -0.696 0.000 0.823 145 G N 2.218 110.978 108.800 -0.068 0.000 2.179 145 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 145 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 145 G C 1.008 175.950 174.900 0.071 0.000 0.977 145 G CA 0.451 45.634 45.100 0.138 0.000 0.641 145 G HN 0.699 nan 8.290 nan 0.000 0.533 146 A N -0.617 122.203 122.820 -0.001 0.000 1.911 146 A HA 0.542 4.861 4.320 -0.000 0.000 0.212 146 A C 1.194 178.676 177.584 -0.170 0.000 1.189 146 A CA 1.821 53.841 52.037 -0.028 0.000 0.639 146 A CB 0.210 19.212 19.000 0.004 0.000 0.839 146 A HN 0.415 nan 8.150 nan 0.000 0.449 147 K N -0.407 119.835 120.400 -0.264 0.000 2.422 147 K HA 0.406 4.726 4.320 -0.000 0.000 0.251 147 K C -0.766 175.652 176.600 -0.303 0.000 0.933 147 K CA -0.705 55.319 56.287 -0.437 0.000 0.798 147 K CB 2.470 34.343 32.500 -1.045 0.000 1.238 147 K HN 0.277 nan 8.250 nan 0.000 0.428 148 R N 2.934 123.272 120.500 -0.270 0.000 2.298 148 R HA 0.294 4.634 4.340 -0.000 0.000 0.310 148 R C -1.287 174.989 176.300 -0.040 0.000 1.068 148 R CA -0.432 55.582 56.100 -0.143 0.000 0.957 148 R CB 0.390 30.621 30.300 -0.115 0.000 1.003 148 R HN 0.393 nan 8.270 nan 0.000 0.454 149 L N 6.232 127.511 121.223 0.093 0.000 2.518 149 L HA 0.230 4.570 4.340 -0.000 0.000 0.262 149 L C -1.471 175.450 176.870 0.086 0.000 0.982 149 L CA -0.713 54.211 54.840 0.141 0.000 0.873 149 L CB 1.044 43.293 42.059 0.317 0.000 1.198 149 L HN 0.625 nan 8.230 nan 0.000 0.427 150 Y N 4.885 125.058 120.300 -0.211 0.000 2.805 150 Y HA 0.399 4.949 4.550 -0.000 0.000 0.331 150 Y C -0.044 175.658 175.900 -0.330 0.000 1.241 150 Y CA 0.879 58.615 58.100 -0.607 0.000 1.546 150 Y CB 0.471 38.635 38.460 -0.494 0.000 1.248 150 Y HN 0.818 nan 8.280 nan 0.000 0.559 151 A N 5.831 128.143 122.820 -0.847 0.000 2.480 151 A HA 0.266 4.586 4.320 -0.000 0.000 0.289 151 A C 0.187 177.613 177.584 -0.263 0.000 1.044 151 A CA -0.881 50.934 52.037 -0.370 0.000 0.761 151 A CB 0.686 19.666 19.000 -0.033 0.000 1.289 151 A HN 0.825 nan 8.150 nan 0.000 0.401 152 N N 1.385 119.954 118.700 -0.219 0.000 2.096 152 N HA -0.215 4.525 4.740 -0.000 0.000 0.195 152 N C 1.967 177.523 175.510 0.076 0.000 1.017 152 N CA 2.232 55.276 53.050 -0.011 0.000 0.870 152 N CB -0.128 38.419 38.487 0.099 0.000 1.024 152 N HN 0.893 nan 8.380 nan 0.000 0.434 153 S N -1.355 114.412 115.700 0.111 0.000 2.527 153 S HA 0.134 4.604 4.470 -0.000 0.000 0.222 153 S C 1.957 176.739 174.600 0.303 0.000 0.985 153 S CA 0.598 58.944 58.200 0.244 0.000 0.921 153 S CB 0.200 63.558 63.200 0.263 0.000 0.772 153 S HN 0.182 nan 8.310 nan 0.000 0.529 154 S N 1.183 116.992 115.700 0.183 0.000 2.324 154 S HA 0.252 4.722 4.470 -0.000 0.000 0.210 154 S C 1.550 176.223 174.600 0.123 0.000 1.027 154 S CA 0.515 58.809 58.200 0.156 0.000 0.945 154 S CB -0.479 62.828 63.200 0.179 0.000 0.908 154 S HN 0.480 nan 8.310 nan 0.000 0.496 155 I N 1.703 122.338 120.570 0.108 0.000 2.676 155 I HA 0.091 4.261 4.170 -0.000 0.000 0.259 155 I C 1.943 178.131 176.117 0.118 0.000 1.194 155 I CA 1.089 62.434 61.300 0.074 0.000 1.473 155 I CB -0.524 37.500 38.000 0.040 0.000 1.096 155 I HN 0.409 nan 8.210 nan 0.000 0.443 156 G N 0.501 109.339 108.800 0.064 0.000 2.414 156 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.215 156 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.215 156 G C 1.528 176.398 174.900 -0.051 0.000 1.188 156 G CA 0.887 45.969 45.100 -0.030 0.000 0.783 156 G HN 0.382 nan 8.290 nan 0.000 0.537 157 L N -0.027 121.214 121.223 0.030 0.000 2.093 157 L HA 0.193 4.533 4.340 -0.000 0.000 0.208 157 L C 2.408 179.234 176.870 -0.073 0.000 1.085 157 L CA 1.317 56.118 54.840 -0.065 0.000 0.755 157 L CB -0.862 41.124 42.059 -0.122 0.000 0.904 157 L HN 0.285 nan 8.230 nan 0.000 0.435 158 F N 0.310 120.195 119.950 -0.108 0.000 2.039 158 F HA -0.335 4.192 4.527 -0.000 0.000 0.296 158 F C 2.155 177.894 175.800 -0.103 0.000 1.119 158 F CA 2.366 60.303 58.000 -0.105 0.000 1.211 158 F CB -0.803 38.141 39.000 -0.092 0.000 0.956 158 F HN 0.173 nan 8.300 nan 0.000 0.496 159 G N -0.763 107.863 108.800 -0.290 0.000 2.421 159 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.216 159 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.216 159 G C 1.741 176.525 174.900 -0.193 0.000 1.171 159 G CA 0.866 45.804 45.100 -0.271 0.000 0.775 159 G HN 0.696 nan 8.290 nan 0.000 0.543 160 A N 0.429 123.092 122.820 -0.263 0.000 1.948 160 A HA -0.005 4.315 4.320 -0.000 0.000 0.220 160 A C 2.398 179.843 177.584 -0.231 0.000 1.177 160 A CA 1.538 53.435 52.037 -0.233 0.000 0.636 160 A CB -0.357 18.458 19.000 -0.308 0.000 0.815 160 A HN 0.385 nan 8.150 nan 0.000 0.449 161 L N -1.684 119.355 121.223 -0.307 0.000 2.307 161 L HA 0.050 4.390 4.340 -0.000 0.000 0.211 161 L C 2.938 179.563 176.870 -0.408 0.000 1.099 161 L CA 0.607 55.263 54.840 -0.306 0.000 0.816 161 L CB -0.390 41.515 42.059 -0.256 0.000 0.952 161 L HN 0.396 nan 8.230 nan 0.000 0.455 162 A N 0.424 122.906 122.820 -0.564 0.000 1.972 162 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 162 A C 2.109 179.490 177.584 -0.338 0.000 1.169 162 A CA 1.877 53.551 52.037 -0.604 0.000 0.635 162 A CB -0.684 17.802 19.000 -0.857 0.000 0.810 162 A HN 0.323 nan 8.150 nan 0.000 0.446 163 V N -3.899 115.881 119.914 -0.224 0.000 3.623 163 V HA 0.089 4.209 4.120 -0.000 0.000 0.271 163 V C 1.748 177.786 176.094 -0.092 0.000 1.248 163 V CA 1.225 63.438 62.300 -0.145 0.000 1.156 163 V CB -0.451 31.292 31.823 -0.134 0.000 0.870 163 V HN 0.154 nan 8.190 nan 0.000 0.453 164 K N 1.966 122.320 120.400 -0.076 0.000 2.009 164 K HA -0.006 4.314 4.320 -0.000 0.000 0.210 164 K C 0.169 176.777 176.600 0.013 0.000 1.049 164 K CA 1.959 58.234 56.287 -0.019 0.000 0.929 164 K CB -2.136 30.389 32.500 0.042 0.000 0.714 164 K HN 0.467 nan 8.250 nan 0.000 0.440 165 P HA -0.136 nan 4.420 nan 0.000 0.220 165 P C 1.008 178.312 177.300 0.008 0.000 1.144 165 P CA 1.456 64.586 63.100 0.049 0.000 0.800 165 P CB -0.127 31.622 31.700 0.082 0.000 0.772 166 S N -1.694 113.996 115.700 -0.018 0.000 2.481 166 S HA 0.067 4.537 4.470 -0.000 0.000 0.231 166 S C 1.938 176.519 174.600 -0.033 0.000 0.996 166 S CA 0.930 59.109 58.200 -0.034 0.000 0.942 166 S CB -1.439 61.725 63.200 -0.060 0.000 0.768 166 S HN 0.305 nan 8.310 nan 0.000 0.520 167 G N 0.868 109.651 108.800 -0.028 0.000 2.220 167 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.269 167 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.269 167 G C 0.103 174.981 174.900 -0.036 0.000 0.977 167 G CA 0.913 45.997 45.100 -0.028 0.000 0.634 167 G HN 0.574 nan 8.290 nan 0.000 0.539 168 M N 1.051 120.622 119.600 -0.049 0.000 2.494 168 M HA 0.544 5.024 4.480 -0.000 0.000 0.300 168 M C 1.208 177.474 176.300 -0.056 0.000 1.189 168 M CA -0.134 55.133 55.300 -0.055 0.000 0.982 168 M CB 1.588 34.146 32.600 -0.071 0.000 1.534 168 M HN 0.407 nan 8.290 nan 0.000 0.488 169 S N -0.140 115.532 115.700 -0.047 0.000 2.600 169 S HA 0.039 4.509 4.470 -0.000 0.000 0.265 169 S C 0.714 175.302 174.600 -0.021 0.000 1.325 169 S CA -0.439 57.744 58.200 -0.027 0.000 1.002 169 S CB 0.338 63.528 63.200 -0.017 0.000 0.921 169 S HN 0.747 nan 8.310 nan 0.000 0.554 170 Y N 1.140 121.370 120.300 -0.117 0.000 2.193 170 Y HA -0.209 4.341 4.550 -0.000 0.000 0.285 170 Y C 2.459 178.294 175.900 -0.109 0.000 1.166 170 Y CA 2.383 60.408 58.100 -0.125 0.000 1.181 170 Y CB -0.300 38.073 38.460 -0.144 0.000 0.976 170 Y HN 0.973 nan 8.280 nan 0.000 0.520 171 E N -0.219 120.011 120.200 0.051 0.000 2.158 171 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 171 E C 2.173 178.708 176.600 -0.109 0.000 0.982 171 E CA 1.122 57.511 56.400 -0.019 0.000 0.823 171 E CB -0.285 29.431 29.700 0.027 0.000 0.766 171 E HN 0.695 nan 8.360 nan 0.000 0.468 172 E N -0.070 120.074 120.200 -0.094 0.000 2.158 172 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 172 E C 1.922 178.439 176.600 -0.137 0.000 0.982 172 E CA 0.756 57.098 56.400 -0.097 0.000 0.823 172 E CB -0.075 29.585 29.700 -0.066 0.000 0.766 172 E HN 0.345 nan 8.360 nan 0.000 0.468 173 A N 1.067 123.780 122.820 -0.178 0.000 1.902 173 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 173 A C 2.115 179.550 177.584 -0.248 0.000 1.181 173 A CA 1.740 53.653 52.037 -0.207 0.000 0.623 173 A CB -0.546 18.308 19.000 -0.243 0.000 0.818 173 A HN 0.375 nan 8.150 nan 0.000 0.443 174 M N -0.088 119.299 119.600 -0.354 0.000 2.086 174 M HA -0.103 4.377 4.480 -0.000 0.000 0.261 174 M C 2.057 178.230 176.300 -0.211 0.000 1.067 174 M CA 2.530 57.634 55.300 -0.327 0.000 1.116 174 M CB -1.113 31.235 32.600 -0.420 0.000 1.348 174 M HN 0.369 nan 8.290 nan 0.000 0.407 175 T N 0.277 114.710 114.554 -0.202 0.000 2.708 175 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 175 T C 1.917 176.530 174.700 -0.145 0.000 1.037 175 T CA 1.685 63.675 62.100 -0.184 0.000 1.146 175 T CB -0.195 68.580 68.868 -0.155 0.000 0.865 175 T HN 0.427 nan 8.240 nan 0.000 0.435 176 R N 0.213 120.640 120.500 -0.122 0.000 2.200 176 R HA 0.191 4.530 4.340 -0.000 0.000 0.208 176 R C 2.350 178.606 176.300 -0.074 0.000 1.033 176 R CA 0.694 56.739 56.100 -0.092 0.000 1.000 176 R CB 0.096 30.349 30.300 -0.079 0.000 0.906 176 R HN 0.261 nan 8.270 nan 0.000 0.462 177 R N -0.860 119.593 120.500 -0.078 0.000 2.307 177 R HA 0.154 4.494 4.340 -0.000 0.000 0.200 177 R C 1.320 177.610 176.300 -0.017 0.000 0.893 177 R CA 0.097 56.167 56.100 -0.050 0.000 1.042 177 R CB 0.871 31.134 30.300 -0.062 0.000 1.059 177 R HN -0.021 nan 8.270 nan 0.000 0.530 178 V N -0.353 119.549 119.914 -0.019 0.000 3.001 178 V HA -0.018 4.101 4.120 -0.000 0.000 0.228 178 V C 1.528 177.647 176.094 0.041 0.000 1.204 178 V CA 0.300 62.633 62.300 0.054 0.000 1.247 178 V CB -0.213 31.677 31.823 0.112 0.000 1.093 178 V HN 0.005 nan 8.190 nan 0.000 0.504 179 L N 0.515 121.712 121.223 -0.044 0.000 1.970 179 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 179 L C 2.528 179.333 176.870 -0.109 0.000 1.071 179 L CA 2.077 56.847 54.840 -0.115 0.000 0.751 179 L CB -1.330 40.569 42.059 -0.265 0.000 0.889 179 L HN 0.403 nan 8.230 nan 0.000 0.432 180 Q N -0.931 118.801 119.800 -0.115 0.000 2.050 180 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 180 Q C -0.098 175.872 176.000 -0.050 0.000 0.980 180 Q CA 1.840 57.587 55.803 -0.095 0.000 0.840 180 Q CB -1.144 27.537 28.738 -0.094 0.000 0.898 180 Q HN 0.418 nan 8.270 nan 0.000 0.424 181 P HA -0.159 nan 4.420 nan 0.000 0.216 181 P C 0.785 178.094 177.300 0.014 0.000 1.150 181 P CA 1.198 64.295 63.100 -0.005 0.000 0.837 181 P CB 0.082 31.787 31.700 0.007 0.000 0.786 182 L N -1.915 119.330 121.223 0.037 0.000 2.567 182 L HA 0.157 4.497 4.340 -0.000 0.000 0.225 182 L C 0.435 177.335 176.870 0.050 0.000 1.119 182 L CA 0.232 55.117 54.840 0.074 0.000 0.871 182 L CB -0.318 41.843 42.059 0.170 0.000 1.036 182 L HN -0.091 nan 8.230 nan 0.000 0.459 183 K N 0.699 121.101 120.400 0.003 0.000 3.200 183 K HA -0.134 4.186 4.320 -0.000 0.000 0.272 183 K C -0.331 176.252 176.600 -0.029 0.000 1.150 183 K CA 0.221 56.495 56.287 -0.022 0.000 0.801 183 K CB -1.619 30.881 32.500 -0.000 0.000 1.269 183 K HN 0.244 nan 8.250 nan 0.000 0.500 184 L N 0.506 121.692 121.223 -0.062 0.000 2.449 184 L HA 0.221 4.561 4.340 -0.000 0.000 0.255 184 L C 1.586 178.309 176.870 -0.245 0.000 1.167 184 L CA -0.057 54.729 54.840 -0.090 0.000 1.090 184 L CB 0.572 42.596 42.059 -0.058 0.000 1.385 184 L HN 0.301 nan 8.230 nan 0.000 0.411 185 A N 0.441 123.130 122.820 -0.218 0.000 2.167 185 A HA -0.040 4.280 4.320 -0.000 0.000 0.214 185 A C 1.105 178.379 177.584 -0.517 0.000 1.151 185 A CA 0.787 52.597 52.037 -0.378 0.000 0.735 185 A CB -0.236 18.575 19.000 -0.316 0.000 0.802 185 A HN 0.660 nan 8.150 nan 0.000 0.467 186 H N -0.210 118.717 119.070 -0.239 0.000 2.551 186 H HA 0.277 4.833 4.556 -0.000 0.000 0.238 186 H C -1.017 174.159 175.328 -0.253 0.000 1.345 186 H CA 0.073 56.056 56.048 -0.108 0.000 1.105 186 H CB 0.285 30.051 29.762 0.007 0.000 1.805 186 H HN 0.178 nan 8.280 nan 0.000 0.553 187 T N 0.610 114.799 114.554 -0.609 0.000 2.916 187 T HA 0.360 4.710 4.350 -0.000 0.000 0.298 187 T C -1.056 173.010 174.700 -1.057 0.000 1.031 187 T CA -0.568 61.176 62.100 -0.592 0.000 0.993 187 T CB 1.750 70.327 68.868 -0.485 0.000 1.045 187 T HN 0.285 nan 8.240 nan 0.000 0.454 188 W N 1.376 122.479 121.300 -0.329 0.000 3.213 188 W HA 0.553 5.212 4.660 -0.000 0.000 0.318 188 W C 0.477 176.797 176.519 -0.331 0.000 1.248 188 W CA -0.864 56.298 57.345 -0.305 0.000 1.187 188 W CB 0.928 30.207 29.460 -0.301 0.000 1.403 188 W HN 0.493 nan 8.180 nan 0.000 0.556 189 I N 0.551 121.120 120.570 -0.002 0.000 2.270 189 I HA -0.034 4.136 4.170 -0.000 0.000 0.239 189 I C 0.881 176.966 176.117 -0.053 0.000 1.080 189 I CA 1.034 62.300 61.300 -0.057 0.000 1.383 189 I CB -0.279 37.690 38.000 -0.052 0.000 1.097 189 I HN 0.235 nan 8.210 nan 0.000 0.420 190 T N 2.861 117.412 114.554 -0.005 0.000 2.733 190 T HA 0.322 4.672 4.350 -0.000 0.000 0.294 190 T C -0.178 174.386 174.700 -0.226 0.000 0.956 190 T CA -0.307 61.738 62.100 -0.092 0.000 0.987 190 T CB 1.422 70.249 68.868 -0.067 0.000 0.920 190 T HN -0.189 nan 8.240 nan 0.000 0.470 191 V N 7.659 127.329 119.914 -0.406 0.000 2.439 191 V HA 0.176 4.295 4.120 -0.000 0.000 0.271 191 V C -1.784 173.927 176.094 -0.638 0.000 1.040 191 V CA -1.522 60.323 62.300 -0.759 0.000 1.002 191 V CB 0.053 31.440 31.823 -0.726 0.000 1.000 191 V HN 0.700 nan 8.190 nan 0.000 0.477 192 P HA 0.156 nan 4.420 nan 0.000 0.272 192 P C 0.677 177.756 177.300 -0.367 0.000 1.240 192 P CA -0.430 62.351 63.100 -0.533 0.000 0.791 192 P CB 0.536 31.864 31.700 -0.620 0.000 0.978 193 Q N 1.469 121.139 119.800 -0.216 0.000 2.170 193 Q HA -0.139 4.201 4.340 -0.000 0.000 0.203 193 Q C 1.190 177.117 176.000 -0.121 0.000 0.976 193 Q CA 1.413 57.137 55.803 -0.132 0.000 0.858 193 Q CB -0.779 27.915 28.738 -0.075 0.000 0.907 193 Q HN 0.595 nan 8.270 nan 0.000 0.433 194 N N 0.390 119.007 118.700 -0.139 0.000 2.521 194 N HA -0.096 4.644 4.740 -0.000 0.000 0.188 194 N C 0.863 176.306 175.510 -0.110 0.000 1.146 194 N CA 0.474 53.466 53.050 -0.097 0.000 0.893 194 N CB 0.190 38.634 38.487 -0.071 0.000 0.975 194 N HN 0.175 nan 8.380 nan 0.000 0.451 195 E N 0.426 120.509 120.200 -0.196 0.000 2.389 195 E HA 0.043 4.393 4.350 -0.000 0.000 0.199 195 E C 1.556 178.078 176.600 -0.130 0.000 0.978 195 E CA 0.024 56.307 56.400 -0.194 0.000 0.912 195 E CB 0.029 29.484 29.700 -0.408 0.000 0.907 195 E HN 0.347 nan 8.360 nan 0.000 0.494 196 Q N 1.365 121.103 119.800 -0.104 0.000 2.156 196 Q HA -0.244 4.096 4.340 -0.000 0.000 0.211 196 Q C 1.983 178.021 176.000 0.064 0.000 0.995 196 Q CA 1.864 57.679 55.803 0.021 0.000 0.877 196 Q CB -0.616 28.151 28.738 0.049 0.000 0.920 196 Q HN 0.462 nan 8.270 nan 0.000 0.416 197 K N 0.191 120.597 120.400 0.011 0.000 2.242 197 K HA -0.189 4.131 4.320 -0.000 0.000 0.206 197 K C 0.974 177.498 176.600 -0.127 0.000 1.045 197 K CA 1.856 58.109 56.287 -0.057 0.000 0.930 197 K CB -0.025 32.426 32.500 -0.083 0.000 0.726 197 K HN 0.076 nan 8.250 nan 0.000 0.462 198 D N -1.014 119.364 120.400 -0.037 0.000 2.417 198 D HA -0.015 4.625 4.640 -0.000 0.000 0.207 198 D C -0.552 175.771 176.300 0.040 0.000 1.075 198 D CA 0.005 53.988 54.000 -0.028 0.000 0.851 198 D CB 0.109 40.906 40.800 -0.005 0.000 0.976 198 D HN 0.120 nan 8.370 nan 0.000 0.505 199 Y N 2.810 123.048 120.300 -0.104 0.000 2.584 199 Y HA 0.413 4.963 4.550 -0.000 0.000 0.351 199 Y C 0.221 176.091 175.900 -0.049 0.000 1.030 199 Y CA -1.560 56.448 58.100 -0.152 0.000 1.332 199 Y CB -0.500 37.806 38.460 -0.257 0.000 1.148 199 Y HN -0.156 nan 8.280 nan 0.000 0.528 200 A N 5.835 128.788 122.820 0.222 0.000 2.346 200 A HA 0.285 4.605 4.320 -0.000 0.000 0.252 200 A C -0.902 176.810 177.584 0.213 0.000 1.089 200 A CA -0.390 51.772 52.037 0.209 0.000 0.797 200 A CB 0.266 19.343 19.000 0.127 0.000 1.047 200 A HN 0.858 nan 8.150 nan 0.000 0.494 201 W N -0.021 121.351 121.300 0.121 0.000 2.438 201 W HA 0.519 5.179 4.660 -0.000 0.000 0.324 201 W C 0.774 177.033 176.519 -0.433 0.000 1.119 201 W CA 0.383 57.613 57.345 -0.192 0.000 1.221 201 W CB 1.515 30.685 29.460 -0.484 0.000 1.253 201 W HN 0.952 nan 8.180 nan 0.000 0.555 202 G N 1.334 109.959 108.800 -0.292 0.000 2.537 202 G HA2 0.471 4.431 3.960 -0.000 0.000 0.273 202 G HA3 0.471 4.431 3.960 -0.000 0.000 0.273 202 G C -2.068 172.400 174.900 -0.719 0.000 1.189 202 G CA -0.417 44.238 45.100 -0.742 0.000 0.881 202 G HN 0.423 nan 8.290 nan 0.000 0.535 203 Y N -0.302 119.947 120.300 -0.085 0.000 2.329 203 Y HA 0.511 5.061 4.550 -0.000 0.000 0.328 203 Y C 0.417 176.319 175.900 0.003 0.000 0.992 203 Y CA -0.802 57.287 58.100 -0.018 0.000 1.151 203 Y CB 2.055 40.502 38.460 -0.022 0.000 1.150 203 Y HN 0.395 nan 8.280 nan 0.000 0.450 204 R N 2.878 123.439 120.500 0.103 0.000 2.435 204 R HA 0.297 4.637 4.340 -0.000 0.000 0.308 204 R C -0.778 175.565 176.300 0.072 0.000 0.975 204 R CA -0.507 55.642 56.100 0.081 0.000 0.867 204 R CB 0.709 31.045 30.300 0.060 0.000 1.171 204 R HN 0.920 nan 8.270 nan 0.000 0.470 205 E N 2.400 122.641 120.200 0.068 0.000 2.252 205 E HA -0.242 4.108 4.350 -0.000 0.000 0.218 205 E C 0.661 177.295 176.600 0.056 0.000 1.253 205 E CA 0.714 57.144 56.400 0.050 0.000 0.705 205 E CB -1.181 28.540 29.700 0.034 0.000 1.172 205 E HN 1.167 nan 8.360 nan 0.000 0.369 206 G N -1.326 107.525 108.800 0.084 0.000 2.216 206 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.269 206 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.269 206 G C 0.427 175.413 174.900 0.143 0.000 0.981 206 G CA 1.260 46.419 45.100 0.099 0.000 0.658 206 G HN 0.820 nan 8.290 nan 0.000 0.539 207 K N 1.052 121.517 120.400 0.108 0.000 2.130 207 K HA 0.787 5.107 4.320 -0.000 0.000 0.268 207 K C -2.073 174.516 176.600 -0.019 0.000 0.983 207 K CA -1.360 54.951 56.287 0.039 0.000 0.893 207 K CB 1.042 33.540 32.500 -0.003 0.000 1.066 207 K HN 0.259 nan 8.250 nan 0.000 0.450 208 P HA 0.444 nan 4.420 nan 0.000 0.286 208 P C -0.958 176.240 177.300 -0.170 0.000 1.269 208 P CA -0.375 62.464 63.100 -0.435 0.000 0.787 208 P CB 1.407 32.727 31.700 -0.635 0.000 0.920 209 V N 4.321 124.225 119.914 -0.016 0.000 2.925 209 V HA 0.434 4.554 4.120 -0.000 0.000 0.311 209 V C -0.939 175.289 176.094 0.224 0.000 1.104 209 V CA -0.646 61.747 62.300 0.156 0.000 0.954 209 V CB 2.222 34.097 31.823 0.086 0.000 1.022 209 V HN 0.642 nan 8.190 nan 0.000 0.427 210 H N 2.033 121.192 119.070 0.148 0.000 2.637 210 H HA 0.532 5.088 4.556 -0.000 0.000 0.363 210 H C -0.677 174.697 175.328 0.077 0.000 1.131 210 H CA -0.955 55.075 56.048 -0.031 0.000 1.183 210 H CB 2.238 31.775 29.762 -0.375 0.000 1.637 210 H HN 0.566 nan 8.280 nan 0.000 0.531 211 V N 3.314 123.369 119.914 0.235 0.000 2.694 211 V HA -0.001 4.119 4.120 -0.000 0.000 0.306 211 V C 0.002 176.196 176.094 0.167 0.000 1.054 211 V CA 0.257 62.671 62.300 0.190 0.000 1.161 211 V CB 0.528 32.464 31.823 0.189 0.000 0.916 211 V HN 0.854 nan 8.190 nan 0.000 0.490 212 S N 6.408 122.199 115.700 0.151 0.000 2.654 212 S HA 0.682 5.152 4.470 -0.000 0.000 0.283 212 S C -2.502 172.178 174.600 0.133 0.000 1.180 212 S CA -1.312 56.964 58.200 0.126 0.000 1.021 212 S CB 1.014 64.272 63.200 0.098 0.000 1.018 212 S HN 0.771 nan 8.310 nan 0.000 0.532 213 P HA 0.444 nan 4.420 nan 0.000 0.266 213 P C 0.030 177.382 177.300 0.087 0.000 1.193 213 P CA 0.210 63.350 63.100 0.066 0.000 0.770 213 P CB 0.183 31.905 31.700 0.036 0.000 0.836 214 G N 0.567 109.408 108.800 0.068 0.000 2.673 214 G HA2 0.289 4.249 3.960 -0.000 0.000 0.292 214 G HA3 0.289 4.249 3.960 -0.000 0.000 0.292 214 G C -1.593 173.305 174.900 -0.003 0.000 1.450 214 G CA -0.589 44.557 45.100 0.077 0.000 0.837 214 G HN 0.294 nan 8.290 nan 0.000 0.505 215 Q N 0.574 120.371 119.800 -0.006 0.000 2.300 215 Q HA 0.194 4.534 4.340 -0.000 0.000 0.280 215 Q C 1.108 177.064 176.000 -0.074 0.000 1.033 215 Q CA 0.289 56.069 55.803 -0.038 0.000 0.903 215 Q CB 0.740 29.464 28.738 -0.024 0.000 1.195 215 Q HN 0.713 nan 8.270 nan 0.000 0.386 216 L N 1.635 122.774 121.223 -0.140 0.000 4.291 216 L HA -0.348 3.992 4.340 -0.000 0.000 0.413 216 L C 0.997 177.634 176.870 -0.388 0.000 1.162 216 L CA 0.604 55.307 54.840 -0.229 0.000 0.961 216 L CB -1.543 40.438 42.059 -0.130 0.000 2.095 216 L HN 0.624 nan 8.230 nan 0.000 0.838 217 D N 0.705 120.833 120.400 -0.454 0.000 2.106 217 D HA -0.213 4.427 4.640 -0.000 0.000 0.191 217 D C 1.990 177.823 176.300 -0.779 0.000 0.997 217 D CA 1.642 55.088 54.000 -0.923 0.000 0.834 217 D CB -0.255 40.197 40.800 -0.580 0.000 0.956 217 D HN 0.455 nan 8.370 nan 0.000 0.448 218 A N 1.027 123.569 122.820 -0.463 0.000 1.896 218 A HA -0.335 3.985 4.320 -0.000 0.000 0.220 218 A C 2.205 179.547 177.584 -0.403 0.000 1.206 218 A CA 2.669 54.510 52.037 -0.327 0.000 0.647 218 A CB -1.000 17.884 19.000 -0.193 0.000 0.828 218 A HN 0.268 nan 8.150 nan 0.000 0.455 219 E N -0.521 119.230 120.200 -0.748 0.000 2.051 219 E HA -0.005 4.345 4.350 -0.000 0.000 0.192 219 E C 2.242 178.655 176.600 -0.313 0.000 0.991 219 E CA 1.648 57.547 56.400 -0.835 0.000 0.799 219 E CB -0.387 28.829 29.700 -0.807 0.000 0.748 219 E HN 0.614 nan 8.360 nan 0.000 0.449 220 A N -0.578 122.058 122.820 -0.306 0.000 1.943 220 A HA 0.004 4.324 4.320 -0.000 0.000 0.213 220 A C 1.189 178.801 177.584 0.047 0.000 1.181 220 A CA 1.269 53.264 52.037 -0.069 0.000 0.653 220 A CB -0.150 18.898 19.000 0.079 0.000 0.833 220 A HN 0.506 nan 8.150 nan 0.000 0.451 221 Y N -5.132 115.157 120.300 -0.019 0.000 2.991 221 Y HA 0.432 4.982 4.550 -0.000 0.000 0.289 221 Y C 0.978 176.862 175.900 -0.026 0.000 1.008 221 Y CA -0.174 57.929 58.100 0.005 0.000 1.266 221 Y CB -0.323 38.155 38.460 0.030 0.000 1.401 221 Y HN 0.015 nan 8.280 nan 0.000 0.587 222 G N 1.136 109.816 108.800 -0.199 0.000 3.434 222 G HA2 0.411 4.371 3.960 -0.000 0.000 0.258 222 G HA3 0.411 4.371 3.960 -0.000 0.000 0.258 222 G C -0.341 174.471 174.900 -0.147 0.000 1.128 222 G CA 0.048 45.057 45.100 -0.152 0.000 0.792 222 G HN 0.098 nan 8.290 nan 0.000 0.539 223 V N 0.241 120.059 119.914 -0.160 0.000 2.539 223 V HA 0.523 4.643 4.120 -0.000 0.000 0.292 223 V C -0.269 175.675 176.094 -0.251 0.000 1.045 223 V CA -0.551 61.588 62.300 -0.269 0.000 0.945 223 V CB 1.638 33.185 31.823 -0.460 0.000 0.993 223 V HN 0.123 nan 8.190 nan 0.000 0.464 224 K N 2.004 122.237 120.400 -0.279 0.000 2.422 224 K HA 0.806 5.126 4.320 -0.000 0.000 0.251 224 K C -0.690 175.798 176.600 -0.187 0.000 0.933 224 K CA -0.196 55.933 56.287 -0.264 0.000 0.798 224 K CB 2.131 34.377 32.500 -0.423 0.000 1.238 224 K HN 0.767 nan 8.250 nan 0.000 0.428 225 S N 0.305 115.960 115.700 -0.074 0.000 2.643 225 S HA 0.644 5.113 4.470 -0.000 0.000 0.270 225 S C -1.386 173.287 174.600 0.122 0.000 1.166 225 S CA -0.671 57.517 58.200 -0.020 0.000 0.815 225 S CB 0.812 63.974 63.200 -0.064 0.000 1.139 225 S HN 0.617 nan 8.310 nan 0.000 0.472 226 S N 0.599 116.370 115.700 0.119 0.000 2.722 226 S HA 0.545 5.015 4.470 -0.000 0.000 0.292 226 S C 1.396 176.089 174.600 0.155 0.000 1.135 226 S CA -0.076 58.220 58.200 0.160 0.000 1.003 226 S CB 0.717 63.922 63.200 0.008 0.000 1.067 226 S HN 1.150 nan 8.310 nan 0.000 0.546 227 V N 0.348 120.359 119.914 0.161 0.000 2.427 227 V HA -0.081 4.039 4.120 -0.000 0.000 0.248 227 V C 2.201 178.358 176.094 0.105 0.000 1.051 227 V CA 1.279 63.684 62.300 0.174 0.000 1.048 227 V CB -1.418 30.515 31.823 0.183 0.000 0.666 227 V HN 0.841 nan 8.190 nan 0.000 0.456 228 I N 0.759 121.267 120.570 -0.105 0.000 2.142 228 I HA -0.193 3.977 4.170 -0.000 0.000 0.240 228 I C 2.395 178.540 176.117 0.047 0.000 1.078 228 I CA 1.994 63.172 61.300 -0.204 0.000 1.343 228 I CB -0.589 37.159 38.000 -0.420 0.000 1.046 228 I HN 0.274 nan 8.210 nan 0.000 0.405 229 D N 0.405 120.841 120.400 0.060 0.000 2.178 229 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 229 D C 2.193 178.616 176.300 0.206 0.000 0.980 229 D CA 1.084 55.156 54.000 0.119 0.000 0.842 229 D CB -0.065 40.781 40.800 0.077 0.000 0.948 229 D HN 0.150 nan 8.370 nan 0.000 0.472 230 M N 0.165 119.896 119.600 0.219 0.000 2.200 230 M HA 0.033 4.513 4.480 -0.000 0.000 0.265 230 M C 2.188 178.685 176.300 0.329 0.000 1.066 230 M CA 0.633 56.118 55.300 0.309 0.000 1.127 230 M CB -1.029 31.736 32.600 0.276 0.000 1.379 230 M HN -0.022 nan 8.290 nan 0.000 0.420 231 A N 0.569 123.559 122.820 0.283 0.000 1.969 231 A HA -0.147 4.172 4.320 -0.000 0.000 0.218 231 A C 2.193 179.888 177.584 0.186 0.000 1.169 231 A CA 1.101 53.289 52.037 0.252 0.000 0.635 231 A CB -0.442 18.779 19.000 0.368 0.000 0.810 231 A HN 0.451 nan 8.150 nan 0.000 0.445 232 R N -1.121 119.504 120.500 0.209 0.000 2.115 232 R HA -0.148 4.192 4.340 -0.000 0.000 0.230 232 R C 2.146 178.543 176.300 0.162 0.000 1.111 232 R CA 1.175 57.366 56.100 0.153 0.000 0.976 232 R CB -0.672 29.722 30.300 0.156 0.000 0.870 232 R HN 0.903 nan 8.270 nan 0.000 0.445 233 W N 1.774 123.079 121.300 0.009 0.000 2.443 233 W HA -0.102 4.558 4.660 -0.000 0.000 0.296 233 W C 1.645 178.091 176.519 -0.123 0.000 1.202 233 W CA 0.649 57.972 57.345 -0.035 0.000 1.312 233 W CB 0.029 29.513 29.460 0.039 0.000 1.120 233 W HN -0.190 nan 8.180 nan 0.000 0.536 234 V N 1.869 121.765 119.914 -0.030 0.000 2.252 234 V HA -0.388 3.732 4.120 -0.000 0.000 0.249 234 V C 2.439 178.151 176.094 -0.637 0.000 1.056 234 V CA 2.562 64.632 62.300 -0.383 0.000 1.022 234 V CB -1.047 30.697 31.823 -0.132 0.000 0.641 234 V HN 0.269 nan 8.190 nan 0.000 0.445 235 Q N -0.439 119.155 119.800 -0.343 0.000 2.050 235 Q HA -0.171 4.168 4.340 -0.000 0.000 0.202 235 Q C 2.412 178.191 176.000 -0.367 0.000 0.980 235 Q CA 1.744 57.344 55.803 -0.339 0.000 0.840 235 Q CB -0.478 28.146 28.738 -0.190 0.000 0.898 235 Q HN 0.676 nan 8.270 nan 0.000 0.424 236 A N 1.493 124.133 122.820 -0.300 0.000 1.940 236 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 236 A C 1.765 179.075 177.584 -0.456 0.000 1.176 236 A CA 1.599 53.456 52.037 -0.300 0.000 0.631 236 A CB -0.471 18.415 19.000 -0.191 0.000 0.814 236 A HN 0.342 nan 8.150 nan 0.000 0.446 237 N N -1.473 116.801 118.700 -0.709 0.000 2.376 237 N HA -0.004 4.736 4.740 -0.000 0.000 0.177 237 N C 1.742 176.783 175.510 -0.782 0.000 1.024 237 N CA 1.184 53.777 53.050 -0.761 0.000 0.893 237 N CB -0.087 37.833 38.487 -0.944 0.000 0.980 237 N HN 0.622 nan 8.380 nan 0.000 0.439 238 M N 0.235 119.220 119.600 -1.026 0.000 2.236 238 M HA -0.043 4.437 4.480 -0.000 0.000 0.266 238 M C -0.451 175.628 176.300 -0.369 0.000 1.070 238 M CA 1.324 56.189 55.300 -0.725 0.000 1.137 238 M CB 0.529 32.677 32.600 -0.754 0.000 1.378 238 M HN -0.217 nan 8.290 nan 0.000 0.426 239 D N -0.049 120.143 120.400 -0.347 0.000 2.330 239 D HA 0.322 4.962 4.640 -0.000 0.000 0.249 239 D C -0.641 175.542 176.300 -0.195 0.000 1.306 239 D CA -0.001 53.859 54.000 -0.233 0.000 0.956 239 D CB 1.343 42.008 40.800 -0.225 0.000 1.261 239 D HN 0.244 nan 8.370 nan 0.000 0.544 240 A N 2.201 124.929 122.820 -0.153 0.000 2.327 240 A HA 0.094 4.414 4.320 -0.000 0.000 0.228 240 A C 1.780 179.341 177.584 -0.038 0.000 1.275 240 A CA 0.594 52.566 52.037 -0.108 0.000 0.875 240 A CB -0.262 18.675 19.000 -0.105 0.000 0.925 240 A HN 0.447 nan 8.150 nan 0.000 0.493 241 S N -0.852 114.839 115.700 -0.016 0.000 2.428 241 S HA -0.140 4.330 4.470 -0.000 0.000 0.230 241 S C 1.335 176.037 174.600 0.171 0.000 1.014 241 S CA 1.224 59.460 58.200 0.060 0.000 0.957 241 S CB -0.570 62.667 63.200 0.062 0.000 0.784 241 S HN 0.617 nan 8.310 nan 0.000 0.499 242 H N 0.622 119.655 119.070 -0.062 0.000 2.526 242 H HA 0.458 5.013 4.556 -0.000 0.000 0.274 242 H C -0.260 175.042 175.328 -0.044 0.000 0.999 242 H CA -0.702 55.316 56.048 -0.050 0.000 1.157 242 H CB -0.237 29.494 29.762 -0.051 0.000 1.407 242 H HN 0.219 nan 8.280 nan 0.000 0.568 243 V N 2.558 122.507 119.914 0.059 0.000 2.405 243 V HA -0.016 4.104 4.120 -0.000 0.000 0.264 243 V C 1.022 177.116 176.094 0.001 0.000 1.048 243 V CA -0.084 62.227 62.300 0.018 0.000 0.966 243 V CB 1.315 33.136 31.823 -0.003 0.000 1.015 243 V HN 0.412 nan 8.190 nan 0.000 0.477 244 Q N 2.547 122.343 119.800 -0.006 0.000 2.378 244 Q HA -0.020 4.320 4.340 -0.000 0.000 0.205 244 Q C 0.192 176.182 176.000 -0.016 0.000 0.954 244 Q CA 0.442 56.232 55.803 -0.021 0.000 0.901 244 Q CB 0.268 28.989 28.738 -0.028 0.000 0.981 244 Q HN 0.746 nan 8.270 nan 0.000 0.483 245 E N 1.459 121.654 120.200 -0.008 0.000 2.052 245 E HA 0.068 4.417 4.350 -0.000 0.000 0.283 245 E C 0.691 177.288 176.600 -0.006 0.000 1.071 245 E CA -0.103 56.292 56.400 -0.007 0.000 0.851 245 E CB 0.776 30.474 29.700 -0.004 0.000 1.066 245 E HN -0.085 nan 8.360 nan 0.000 0.396 246 K N 1.439 121.835 120.400 -0.008 0.000 2.103 246 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 246 K C 1.690 178.290 176.600 -0.000 0.000 1.048 246 K CA 1.858 58.141 56.287 -0.006 0.000 0.930 246 K CB -0.489 32.006 32.500 -0.008 0.000 0.716 246 K HN 0.599 nan 8.250 nan 0.000 0.444 247 T N -0.624 113.931 114.554 0.002 0.000 3.035 247 T HA -0.046 4.304 4.350 -0.000 0.000 0.268 247 T C 1.848 176.557 174.700 0.014 0.000 1.109 247 T CA 0.530 62.635 62.100 0.008 0.000 1.119 247 T CB -0.042 68.829 68.868 0.006 0.000 0.900 247 T HN 0.077 nan 8.240 nan 0.000 0.503 248 L N 0.281 121.512 121.223 0.012 0.000 2.298 248 L HA 0.327 4.666 4.340 -0.000 0.000 0.209 248 L C 2.655 179.533 176.870 0.012 0.000 1.084 248 L CA 1.162 56.016 54.840 0.022 0.000 0.816 248 L CB -0.590 41.485 42.059 0.026 0.000 0.967 248 L HN 0.252 nan 8.230 nan 0.000 0.460 249 Q N -0.727 119.073 119.800 0.001 0.000 2.084 249 Q HA -0.294 4.046 4.340 -0.000 0.000 0.202 249 Q C 2.217 178.212 176.000 -0.007 0.000 0.978 249 Q CA 1.949 57.745 55.803 -0.012 0.000 0.844 249 Q CB -0.103 28.628 28.738 -0.013 0.000 0.898 249 Q HN 0.567 nan 8.270 nan 0.000 0.426 250 Q N -0.071 119.731 119.800 0.004 0.000 2.096 250 Q HA -0.111 4.229 4.340 -0.000 0.000 0.204 250 Q C 1.844 177.863 176.000 0.031 0.000 0.982 250 Q CA 2.182 57.994 55.803 0.014 0.000 0.850 250 Q CB -0.877 27.871 28.738 0.017 0.000 0.901 250 Q HN 0.511 nan 8.270 nan 0.000 0.422 251 G N 0.446 109.269 108.800 0.039 0.000 2.421 251 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 251 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 251 G C 1.225 176.171 174.900 0.077 0.000 1.171 251 G CA 0.959 46.099 45.100 0.067 0.000 0.775 251 G HN 0.339 nan 8.290 nan 0.000 0.543 252 I N 2.386 122.978 120.570 0.037 0.000 2.065 252 I HA -0.271 3.899 4.170 -0.000 0.000 0.236 252 I C 3.308 179.438 176.117 0.022 0.000 1.028 252 I CA 1.077 62.377 61.300 -0.001 0.000 1.299 252 I CB -1.592 36.353 38.000 -0.091 0.000 1.015 252 I HN 0.269 nan 8.210 nan 0.000 0.396 253 A N 0.568 123.388 122.820 -0.001 0.000 1.881 253 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 253 A C 2.218 179.834 177.584 0.053 0.000 1.215 253 A CA 2.046 54.086 52.037 0.005 0.000 0.648 253 A CB -1.132 17.862 19.000 -0.010 0.000 0.832 253 A HN 0.394 nan 8.150 nan 0.000 0.455 254 L N -0.606 120.668 121.223 0.085 0.000 2.187 254 L HA -0.150 4.190 4.340 -0.000 0.000 0.213 254 L C 2.915 179.937 176.870 0.253 0.000 1.100 254 L CA 1.654 56.585 54.840 0.152 0.000 0.765 254 L CB -1.421 40.734 42.059 0.160 0.000 0.904 254 L HN 0.466 nan 8.230 nan 0.000 0.437 255 A N -1.350 121.609 122.820 0.233 0.000 1.972 255 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 255 A C 2.119 179.916 177.584 0.354 0.000 1.169 255 A CA 1.291 53.519 52.037 0.318 0.000 0.635 255 A CB -0.328 18.897 19.000 0.376 0.000 0.810 255 A HN 0.538 nan 8.150 nan 0.000 0.446 256 Q N 0.238 120.166 119.800 0.213 0.000 2.360 256 Q HA 0.162 4.501 4.340 -0.000 0.000 0.202 256 Q C 0.030 176.062 176.000 0.054 0.000 0.915 256 Q CA -0.278 55.601 55.803 0.128 0.000 0.943 256 Q CB 0.291 29.032 28.738 0.006 0.000 1.064 256 Q HN 0.541 nan 8.270 nan 0.000 0.511 257 S N 1.156 116.873 115.700 0.028 0.000 2.559 257 S HA 0.088 4.558 4.470 -0.000 0.000 0.282 257 S C 0.124 174.561 174.600 -0.271 0.000 1.336 257 S CA 0.258 58.335 58.200 -0.204 0.000 1.037 257 S CB 0.461 63.454 63.200 -0.345 0.000 0.853 257 S HN 0.244 nan 8.310 nan 0.000 0.523 258 R N 0.954 121.226 120.500 -0.380 0.000 2.360 258 R HA 0.282 4.622 4.340 -0.000 0.000 0.318 258 R C -0.456 175.671 176.300 -0.289 0.000 0.950 258 R CA -0.267 55.747 56.100 -0.142 0.000 0.837 258 R CB 0.718 30.947 30.300 -0.118 0.000 1.165 258 R HN 0.695 nan 8.270 nan 0.000 0.458 259 Y N 0.690 121.024 120.300 0.057 0.000 2.503 259 Y HA 0.149 4.699 4.550 -0.000 0.000 0.278 259 Y C 0.045 175.632 175.900 -0.523 0.000 1.111 259 Y CA 0.151 58.142 58.100 -0.181 0.000 1.270 259 Y CB 0.533 38.948 38.460 -0.075 0.000 1.063 259 Y HN 0.460 nan 8.280 nan 0.000 0.548 260 W N -0.855 120.604 121.300 0.266 0.000 3.074 260 W HA 0.572 5.232 4.660 -0.000 0.000 0.332 260 W C -0.841 175.784 176.519 0.178 0.000 1.253 260 W CA -1.514 55.946 57.345 0.191 0.000 1.180 260 W CB 0.925 30.477 29.460 0.153 0.000 1.445 260 W HN -0.535 nan 8.180 nan 0.000 0.573 261 R N 1.751 122.428 120.500 0.295 0.000 2.439 261 R HA 0.701 5.041 4.340 -0.000 0.000 0.310 261 R C -1.699 174.596 176.300 -0.008 0.000 0.955 261 R CA -0.699 55.361 56.100 -0.067 0.000 0.853 261 R CB 0.856 31.097 30.300 -0.098 0.000 1.171 261 R HN 0.580 nan 8.270 nan 0.000 0.449 262 I N 5.149 125.673 120.570 -0.077 0.000 2.495 262 I HA 0.307 4.477 4.170 -0.000 0.000 0.277 262 I C 0.872 176.938 176.117 -0.084 0.000 1.045 262 I CA 0.136 61.413 61.300 -0.038 0.000 1.135 262 I CB 1.712 39.719 38.000 0.012 0.000 1.241 262 I HN 0.997 nan 8.210 nan 0.000 0.469 263 G N 4.671 113.420 108.800 -0.085 0.000 2.602 263 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.310 263 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.310 263 G C 0.787 175.602 174.900 -0.142 0.000 1.183 263 G CA 0.732 45.780 45.100 -0.088 0.000 0.979 263 G HN 0.461 nan 8.290 nan 0.000 0.545 264 D N 0.594 120.925 120.400 -0.114 0.000 2.348 264 D HA 0.186 4.826 4.640 -0.000 0.000 0.211 264 D C 1.273 177.496 176.300 -0.127 0.000 0.998 264 D CA 0.543 54.488 54.000 -0.093 0.000 0.873 264 D CB 0.134 40.907 40.800 -0.046 0.000 0.925 264 D HN 0.312 nan 8.370 nan 0.000 0.524 265 M N 0.317 119.809 119.600 -0.179 0.000 2.578 265 M HA 0.300 4.780 4.480 -0.000 0.000 0.321 265 M C -1.621 174.526 176.300 -0.255 0.000 1.182 265 M CA -0.598 54.663 55.300 -0.064 0.000 0.965 265 M CB 1.509 34.155 32.600 0.076 0.000 1.694 265 M HN -0.215 nan 8.290 nan 0.000 0.461 266 Y N 1.590 122.007 120.300 0.195 0.000 2.361 266 Y HA 0.354 4.904 4.550 -0.000 0.000 0.337 266 Y C -0.307 175.760 175.900 0.278 0.000 0.965 266 Y CA -0.743 57.488 58.100 0.218 0.000 1.091 266 Y CB 1.582 40.138 38.460 0.160 0.000 1.182 266 Y HN 0.562 nan 8.280 nan 0.000 0.450 267 Q N 2.339 122.425 119.800 0.477 0.000 2.323 267 Q HA 0.442 4.781 4.340 -0.000 0.000 0.257 267 Q C 0.240 176.549 176.000 0.515 0.000 1.022 267 Q CA -0.060 56.023 55.803 0.467 0.000 0.919 267 Q CB 0.822 29.834 28.738 0.457 0.000 1.220 267 Q HN 0.899 nan 8.270 nan 0.000 0.427 268 G N 2.795 111.866 108.800 0.451 0.000 2.509 268 G HA2 0.439 4.399 3.960 -0.000 0.000 0.269 268 G HA3 0.439 4.399 3.960 -0.000 0.000 0.269 268 G C -0.806 174.289 174.900 0.324 0.000 1.416 268 G CA -0.761 44.619 45.100 0.467 0.000 1.052 268 G HN 0.624 nan 8.290 nan 0.000 0.542 269 L N 0.896 122.269 121.223 0.250 0.000 2.287 269 L HA 0.465 4.805 4.340 -0.000 0.000 0.280 269 L C 1.382 178.302 176.870 0.085 0.000 1.055 269 L CA 0.251 55.116 54.840 0.042 0.000 0.863 269 L CB 0.477 42.537 42.059 0.002 0.000 1.245 269 L HN 1.014 nan 8.230 nan 0.000 0.432 270 G N 1.738 110.564 108.800 0.043 0.000 2.990 270 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.225 270 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.225 270 G C 0.009 174.941 174.900 0.054 0.000 1.304 270 G CA -0.191 44.922 45.100 0.022 0.000 0.816 270 G HN 0.525 nan 8.290 nan 0.000 0.528 271 W N 2.573 123.993 121.300 0.201 0.000 2.190 271 W HA 0.572 5.232 4.660 -0.000 0.000 0.330 271 W C 0.742 177.397 176.519 0.227 0.000 1.299 271 W CA -0.469 56.987 57.345 0.186 0.000 1.215 271 W CB 0.494 30.033 29.460 0.131 0.000 1.147 271 W HN 0.277 nan 8.180 nan 0.000 0.563 272 E N 3.323 123.841 120.200 0.530 0.000 2.202 272 E HA 0.461 4.810 4.350 -0.000 0.000 0.272 272 E C -0.025 176.856 176.600 0.469 0.000 0.951 272 E CA -1.012 55.672 56.400 0.473 0.000 0.813 272 E CB 1.275 31.242 29.700 0.446 0.000 1.151 272 E HN 0.153 nan 8.360 nan 0.000 0.398 273 M N 1.102 120.937 119.600 0.391 0.000 2.719 273 M HA 0.631 5.111 4.480 -0.000 0.000 0.291 273 M C -1.231 175.293 176.300 0.373 0.000 1.264 273 M CA -1.234 54.252 55.300 0.310 0.000 0.811 273 M CB 0.032 32.727 32.600 0.158 0.000 1.756 273 M HN 0.365 nan 8.290 nan 0.000 0.464 274 L N 0.811 122.232 121.223 0.330 0.000 2.465 274 L HA 0.509 4.849 4.340 -0.000 0.000 0.257 274 L C -0.481 176.570 176.870 0.302 0.000 0.988 274 L CA -0.488 54.554 54.840 0.337 0.000 0.827 274 L CB 1.645 43.821 42.059 0.195 0.000 1.397 274 L HN 0.585 nan 8.230 nan 0.000 0.410 275 N N 0.877 119.745 118.700 0.279 0.000 2.454 275 N HA 0.038 4.778 4.740 -0.000 0.000 0.254 275 N C -1.144 174.531 175.510 0.276 0.000 1.228 275 N CA -0.020 53.164 53.050 0.223 0.000 0.900 275 N CB 0.882 39.467 38.487 0.163 0.000 1.089 275 N HN 0.540 nan 8.380 nan 0.000 0.449 276 W N 4.336 125.690 121.300 0.091 0.000 2.606 276 W HA 0.394 5.054 4.660 -0.000 0.000 0.332 276 W C -2.206 174.358 176.519 0.075 0.000 1.052 276 W CA -1.475 55.935 57.345 0.108 0.000 1.223 276 W CB 1.129 30.668 29.460 0.132 0.000 1.383 276 W HN 0.424 nan 8.180 nan 0.000 0.524 277 P HA 0.331 nan 4.420 nan 0.000 0.274 277 P C -0.808 176.191 177.300 -0.501 0.000 1.256 277 P CA -0.062 62.282 63.100 -1.260 0.000 0.795 277 P CB 1.843 33.004 31.700 -0.898 0.000 1.038 278 L N -4.639 116.325 121.223 -0.433 0.000 2.654 278 L HA 0.900 5.240 4.340 -0.000 0.000 0.257 278 L C -0.536 176.198 176.870 -0.227 0.000 1.093 278 L CA -1.426 53.284 54.840 -0.216 0.000 0.903 278 L CB 0.967 42.951 42.059 -0.126 0.000 1.520 278 L HN 0.337 nan 8.230 nan 0.000 0.402 279 K N -0.092 120.154 120.400 -0.256 0.000 2.098 279 K HA 0.817 5.137 4.320 -0.000 0.000 0.258 279 K C 0.748 176.962 176.600 -0.644 0.000 0.973 279 K CA 0.026 56.108 56.287 -0.341 0.000 0.898 279 K CB 1.212 33.572 32.500 -0.235 0.000 1.057 279 K HN 0.906 nan 8.250 nan 0.000 0.447 280 A N 1.143 123.342 122.820 -1.035 0.000 1.892 280 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 280 A C 1.863 178.981 177.584 -0.777 0.000 1.188 280 A CA 2.392 53.546 52.037 -1.471 0.000 0.631 280 A CB -0.702 17.325 19.000 -1.622 0.000 0.822 280 A HN 1.039 nan 8.150 nan 0.000 0.447 281 D N 0.758 120.849 120.400 -0.515 0.000 2.239 281 D HA -0.232 4.408 4.640 -0.000 0.000 0.202 281 D C 1.833 177.977 176.300 -0.260 0.000 0.993 281 D CA 2.034 55.843 54.000 -0.319 0.000 0.874 281 D CB -0.544 40.122 40.800 -0.223 0.000 0.922 281 D HN 0.549 nan 8.370 nan 0.000 0.464 282 S N 1.586 117.115 115.700 -0.285 0.000 2.355 282 S HA -0.146 4.324 4.470 -0.000 0.000 0.222 282 S C 2.556 177.049 174.600 -0.178 0.000 1.031 282 S CA 1.193 59.271 58.200 -0.203 0.000 0.993 282 S CB -0.946 62.139 63.200 -0.192 0.000 0.859 282 S HN 0.609 nan 8.310 nan 0.000 0.453 283 I N -0.466 119.946 120.570 -0.264 0.000 2.500 283 I HA 0.099 4.269 4.170 -0.000 0.000 0.252 283 I C 2.292 178.351 176.117 -0.096 0.000 1.142 283 I CA 0.893 62.093 61.300 -0.166 0.000 1.451 283 I CB -0.534 37.261 38.000 -0.341 0.000 1.093 283 I HN 0.166 nan 8.210 nan 0.000 0.430 284 I N 2.022 122.479 120.570 -0.187 0.000 2.235 284 I HA -0.171 3.999 4.170 -0.000 0.000 0.241 284 I C 2.167 178.225 176.117 -0.099 0.000 1.085 284 I CA 1.667 62.885 61.300 -0.137 0.000 1.378 284 I CB -0.536 37.358 38.000 -0.177 0.000 1.076 284 I HN 0.254 nan 8.210 nan 0.000 0.415 285 N N 0.650 119.284 118.700 -0.111 0.000 2.270 285 N HA -0.097 4.643 4.740 -0.000 0.000 0.181 285 N C 1.960 177.434 175.510 -0.060 0.000 1.016 285 N CA 0.950 53.951 53.050 -0.082 0.000 0.870 285 N CB -0.242 38.194 38.487 -0.084 0.000 0.979 285 N HN 0.363 nan 8.380 nan 0.000 0.431 286 G N 0.803 109.572 108.800 -0.052 0.000 2.443 286 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 286 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 286 G C 1.567 176.461 174.900 -0.009 0.000 1.131 286 G CA 0.966 46.054 45.100 -0.019 0.000 0.775 286 G HN 0.413 nan 8.290 nan 0.000 0.547 287 S N -0.146 115.550 115.700 -0.007 0.000 2.555 287 S HA -0.008 4.462 4.470 -0.000 0.000 0.230 287 S C 0.778 175.344 174.600 -0.057 0.000 0.978 287 S CA 0.200 58.385 58.200 -0.025 0.000 0.934 287 S CB -0.087 63.101 63.200 -0.019 0.000 0.766 287 S HN 0.275 nan 8.310 nan 0.000 0.533 288 D N 2.403 122.771 120.400 -0.052 0.000 2.424 288 D HA 0.101 4.741 4.640 -0.000 0.000 0.244 288 D C 1.441 177.708 176.300 -0.055 0.000 1.134 288 D CA 0.677 54.647 54.000 -0.051 0.000 0.881 288 D CB 1.663 42.438 40.800 -0.042 0.000 1.191 288 D HN 0.345 nan 8.370 nan 0.000 0.445 289 S N 4.074 119.742 115.700 -0.053 0.000 2.400 289 S HA -0.206 4.264 4.470 -0.000 0.000 0.232 289 S C 1.624 176.201 174.600 -0.037 0.000 1.025 289 S CA 0.806 58.974 58.200 -0.053 0.000 0.993 289 S CB -0.125 63.052 63.200 -0.038 0.000 0.808 289 S HN 0.537 nan 8.310 nan 0.000 0.478 290 K N 0.525 120.909 120.400 -0.027 0.000 2.113 290 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 290 K C 2.066 178.653 176.600 -0.021 0.000 1.047 290 K CA 1.728 58.004 56.287 -0.018 0.000 0.928 290 K CB -0.454 32.036 32.500 -0.017 0.000 0.716 290 K HN 0.398 nan 8.250 nan 0.000 0.446 291 V N 0.323 120.218 119.914 -0.033 0.000 2.403 291 V HA -0.047 4.073 4.120 -0.000 0.000 0.239 291 V C 2.229 178.297 176.094 -0.044 0.000 1.041 291 V CA 1.454 63.734 62.300 -0.035 0.000 1.051 291 V CB -0.477 31.324 31.823 -0.037 0.000 0.704 291 V HN 0.257 nan 8.190 nan 0.000 0.472 292 A N -0.035 122.746 122.820 -0.066 0.000 1.986 292 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 292 A C 2.032 179.541 177.584 -0.126 0.000 1.171 292 A CA 1.840 53.810 52.037 -0.113 0.000 0.640 292 A CB -0.581 18.325 19.000 -0.157 0.000 0.811 292 A HN 0.526 nan 8.150 nan 0.000 0.451 293 L N -1.071 120.106 121.223 -0.077 0.000 2.607 293 L HA 0.246 4.586 4.340 -0.000 0.000 0.228 293 L C 1.205 178.090 176.870 0.025 0.000 1.123 293 L CA -0.104 54.726 54.840 -0.017 0.000 0.890 293 L CB -0.430 41.627 42.059 -0.003 0.000 1.103 293 L HN 0.396 nan 8.230 nan 0.000 0.468 294 A N 0.687 123.511 122.820 0.006 0.000 2.332 294 A HA 0.646 4.966 4.320 -0.000 0.000 0.258 294 A C 0.315 177.905 177.584 0.010 0.000 1.087 294 A CA -0.131 51.917 52.037 0.017 0.000 0.802 294 A CB 0.464 19.461 19.000 -0.005 0.000 1.042 294 A HN 0.200 nan 8.150 nan 0.000 0.489 295 A N 1.462 124.287 122.820 0.008 0.000 2.269 295 A HA 0.617 4.937 4.320 -0.000 0.000 0.302 295 A C -0.372 177.082 177.584 -0.217 0.000 1.266 295 A CA -0.178 51.800 52.037 -0.098 0.000 0.894 295 A CB -0.256 18.717 19.000 -0.044 0.000 1.147 295 A HN 0.761 nan 8.150 nan 0.000 0.537 296 L N 3.575 124.659 121.223 -0.231 0.000 2.371 296 L HA 0.497 4.837 4.340 -0.000 0.000 0.262 296 L C -2.389 174.347 176.870 -0.224 0.000 1.006 296 L CA -2.468 52.261 54.840 -0.185 0.000 0.818 296 L CB 2.892 44.891 42.059 -0.100 0.000 1.354 296 L HN 0.416 nan 8.230 nan 0.000 0.415 297 P HA 0.160 nan 4.420 nan 0.000 0.268 297 P C -1.238 176.016 177.300 -0.077 0.000 1.205 297 P CA -0.205 62.804 63.100 -0.151 0.000 0.771 297 P CB 0.839 32.480 31.700 -0.099 0.000 0.858 298 A N 3.222 126.015 122.820 -0.044 0.000 2.318 298 A HA 0.573 4.893 4.320 -0.000 0.000 0.324 298 A C -0.622 177.130 177.584 0.280 0.000 1.170 298 A CA -0.650 51.431 52.037 0.073 0.000 0.810 298 A CB 0.891 19.824 19.000 -0.112 0.000 1.198 298 A HN 0.329 nan 8.150 nan 0.000 0.484 299 V N 2.255 122.362 119.914 0.322 0.000 2.427 299 V HA 0.314 4.434 4.120 -0.000 0.000 0.286 299 V C 0.378 176.678 176.094 0.342 0.000 1.034 299 V CA -0.585 61.888 62.300 0.288 0.000 0.893 299 V CB 1.382 33.289 31.823 0.140 0.000 0.982 299 V HN 1.010 nan 8.190 nan 0.000 0.452 300 E N 3.124 123.418 120.200 0.156 0.000 2.313 300 E HA 0.356 4.706 4.350 -0.000 0.000 0.276 300 E C -1.054 175.395 176.600 -0.251 0.000 1.031 300 E CA -0.456 55.711 56.400 -0.388 0.000 0.857 300 E CB 1.422 30.843 29.700 -0.465 0.000 1.040 300 E HN 0.520 nan 8.360 nan 0.000 0.408 301 V N 6.410 126.112 119.914 -0.354 0.000 2.270 301 V HA 0.213 4.333 4.120 -0.000 0.000 0.263 301 V C -0.053 175.901 176.094 -0.234 0.000 1.066 301 V CA -0.635 61.549 62.300 -0.193 0.000 0.857 301 V CB 0.283 32.039 31.823 -0.112 0.000 1.099 301 V HN 0.593 nan 8.190 nan 0.000 0.476 302 N N 4.811 123.411 118.700 -0.167 0.000 2.399 302 N HA 0.494 5.234 4.740 -0.000 0.000 0.280 302 N C -2.440 173.021 175.510 -0.080 0.000 1.008 302 N CA -1.084 51.888 53.050 -0.130 0.000 0.894 302 N CB 2.625 41.041 38.487 -0.118 0.000 1.273 302 N HN 0.361 nan 8.380 nan 0.000 0.486 303 P HA 0.213 nan 4.420 nan 0.000 0.267 303 P C -2.590 174.623 177.300 -0.145 0.000 1.201 303 P CA -0.561 62.487 63.100 -0.086 0.000 0.775 303 P CB -0.407 31.256 31.700 -0.061 0.000 0.854 304 P HA 0.033 nan 4.420 nan 0.000 0.261 304 P C -0.530 176.593 177.300 -0.295 0.000 1.173 304 P CA 0.351 63.219 63.100 -0.387 0.000 0.760 304 P CB 0.155 31.472 31.700 -0.640 0.000 0.783 305 A N 6.132 128.787 122.820 -0.275 0.000 2.425 305 A HA 0.440 4.760 4.320 -0.000 0.000 0.249 305 A C -2.042 175.416 177.584 -0.210 0.000 1.084 305 A CA -1.246 50.668 52.037 -0.205 0.000 0.781 305 A CB -0.979 17.908 19.000 -0.188 0.000 1.019 305 A HN 0.385 nan 8.150 nan 0.000 0.490 306 P HA 0.232 nan 4.420 nan 0.000 0.269 306 P C -0.062 177.164 177.300 -0.123 0.000 1.217 306 P CA 0.142 63.169 63.100 -0.122 0.000 0.783 306 P CB 0.381 32.030 31.700 -0.085 0.000 0.898 307 A N 1.866 124.628 122.820 -0.096 0.000 2.546 307 A HA 0.233 4.553 4.320 -0.000 0.000 0.243 307 A C 0.172 177.707 177.584 -0.083 0.000 1.063 307 A CA -0.085 51.901 52.037 -0.084 0.000 0.757 307 A CB -0.464 18.502 19.000 -0.057 0.000 0.991 307 A HN 0.464 nan 8.150 nan 0.000 0.503 308 V N 4.182 124.042 119.914 -0.091 0.000 2.370 308 V HA 0.309 4.429 4.120 -0.000 0.000 0.279 308 V C 0.943 177.005 176.094 -0.054 0.000 1.029 308 V CA -0.714 61.542 62.300 -0.074 0.000 0.870 308 V CB 0.973 32.742 31.823 -0.089 0.000 0.984 308 V HN 0.931 nan 8.190 nan 0.000 0.451 309 K N 5.170 125.544 120.400 -0.044 0.000 2.089 309 K HA -0.095 4.225 4.320 -0.000 0.000 0.210 309 K C 1.459 178.041 176.600 -0.031 0.000 1.048 309 K CA 1.789 58.049 56.287 -0.045 0.000 0.926 309 K CB -0.829 31.646 32.500 -0.041 0.000 0.714 309 K HN 0.993 nan 8.250 nan 0.000 0.448 310 A N 2.192 125.026 122.820 0.022 0.000 3.004 310 A HA 0.162 4.482 4.320 -0.000 0.000 0.252 310 A C -0.356 177.323 177.584 0.159 0.000 1.802 310 A CA 0.077 52.188 52.037 0.123 0.000 1.424 310 A CB -0.449 18.645 19.000 0.155 0.000 1.005 310 A HN 0.100 nan 8.150 nan 0.000 0.631 311 S N 0.130 115.875 115.700 0.075 0.000 2.570 311 S HA 0.508 4.978 4.470 -0.000 0.000 0.286 311 S C -0.864 173.763 174.600 0.046 0.000 1.099 311 S CA -0.612 57.650 58.200 0.102 0.000 0.913 311 S CB 1.202 64.398 63.200 -0.008 0.000 1.085 311 S HN 0.652 nan 8.310 nan 0.000 0.480 312 W N 3.896 125.186 121.300 -0.016 0.000 2.342 312 W HA 0.547 5.207 4.660 -0.000 0.000 0.310 312 W C -1.838 174.524 176.519 -0.262 0.000 1.128 312 W CA -0.570 56.694 57.345 -0.136 0.000 1.322 312 W CB 0.545 30.042 29.460 0.061 0.000 1.251 312 W HN 0.357 nan 8.180 nan 0.000 0.439 313 V N 7.800 127.251 119.914 -0.772 0.000 2.384 313 V HA 0.406 4.526 4.120 -0.000 0.000 0.287 313 V C -0.095 175.487 176.094 -0.853 0.000 1.020 313 V CA -0.427 61.363 62.300 -0.851 0.000 0.850 313 V CB 0.964 31.887 31.823 -1.501 0.000 0.987 313 V HN 0.680 nan 8.190 nan 0.000 0.436 314 H N 2.587 121.517 119.070 -0.234 0.000 2.948 314 H HA 0.920 5.476 4.556 -0.000 0.000 0.315 314 H C -1.380 174.203 175.328 0.426 0.000 1.360 314 H CA -1.299 54.768 56.048 0.033 0.000 1.125 314 H CB 2.252 32.024 29.762 0.017 0.000 1.844 314 H HN 0.401 nan 8.280 nan 0.000 0.529 315 K N 1.417 121.920 120.400 0.171 0.000 2.587 315 K HA 0.220 4.540 4.320 -0.000 0.000 0.256 315 K C -1.229 175.437 176.600 0.110 0.000 0.974 315 K CA -0.020 56.300 56.287 0.055 0.000 0.855 315 K CB 1.806 34.332 32.500 0.044 0.000 1.292 315 K HN 0.927 nan 8.250 nan 0.000 0.444 316 T N -0.030 114.640 114.554 0.194 0.000 2.882 316 T HA 0.822 5.171 4.350 -0.000 0.000 0.287 316 T C 0.430 175.214 174.700 0.139 0.000 1.014 316 T CA -0.316 61.940 62.100 0.260 0.000 1.049 316 T CB 1.485 70.446 68.868 0.155 0.000 1.001 316 T HN 0.654 nan 8.240 nan 0.000 0.525 317 G N 0.137 109.021 108.800 0.140 0.000 2.768 317 G HA2 0.552 4.512 3.960 -0.000 0.000 0.297 317 G HA3 0.552 4.512 3.960 -0.000 0.000 0.297 317 G C -1.330 173.650 174.900 0.132 0.000 1.430 317 G CA -0.846 44.337 45.100 0.138 0.000 1.030 317 G HN 0.847 nan 8.290 nan 0.000 0.553 318 S N -0.336 115.436 115.700 0.120 0.000 2.564 318 S HA 0.892 5.362 4.470 -0.000 0.000 0.274 318 S C 0.034 174.717 174.600 0.137 0.000 1.124 318 S CA -0.544 57.735 58.200 0.132 0.000 0.869 318 S CB 2.167 65.412 63.200 0.074 0.000 1.105 318 S HN 1.267 nan 8.310 nan 0.000 0.472 319 T N -1.819 112.852 114.554 0.195 0.000 2.807 319 T HA 0.670 5.020 4.350 -0.000 0.000 0.277 319 T C 1.461 176.260 174.700 0.166 0.000 1.006 319 T CA -0.237 61.965 62.100 0.170 0.000 1.006 319 T CB 0.647 69.660 68.868 0.241 0.000 1.274 319 T HN 0.598 nan 8.240 nan 0.000 0.569 320 G N -0.051 108.830 108.800 0.137 0.000 2.505 320 G HA2 0.009 3.969 3.960 -0.000 0.000 0.220 320 G HA3 0.009 3.969 3.960 -0.000 0.000 0.220 320 G C 1.226 176.206 174.900 0.132 0.000 1.145 320 G CA 0.908 46.075 45.100 0.111 0.000 0.761 320 G HN 1.167 nan 8.290 nan 0.000 0.571 321 G N -1.682 107.236 108.800 0.198 0.000 3.062 321 G HA2 0.471 4.431 3.960 -0.000 0.000 0.228 321 G HA3 0.471 4.431 3.960 -0.000 0.000 0.228 321 G C -0.193 174.733 174.900 0.043 0.000 1.094 321 G CA -0.451 44.715 45.100 0.110 0.000 0.782 321 G HN 0.250 nan 8.290 nan 0.000 0.541 322 F N -0.477 119.588 119.950 0.191 0.000 2.588 322 F HA 0.676 5.203 4.527 -0.000 0.000 0.314 322 F C 0.248 176.165 175.800 0.194 0.000 1.069 322 F CA -0.876 57.269 58.000 0.242 0.000 0.931 322 F CB 2.676 41.837 39.000 0.269 0.000 1.260 322 F HN 0.024 nan 8.300 nan 0.000 0.465 323 G N 1.030 110.078 108.800 0.413 0.000 2.732 323 G HA2 0.551 4.511 3.960 -0.000 0.000 0.295 323 G HA3 0.551 4.511 3.960 -0.000 0.000 0.295 323 G C -1.668 173.379 174.900 0.245 0.000 1.456 323 G CA -0.525 44.720 45.100 0.243 0.000 1.050 323 G HN 0.555 nan 8.290 nan 0.000 0.525 324 S N 0.100 115.925 115.700 0.209 0.000 2.607 324 S HA 0.830 5.300 4.470 -0.000 0.000 0.303 324 S C -1.591 173.180 174.600 0.286 0.000 1.086 324 S CA -0.528 57.810 58.200 0.229 0.000 0.995 324 S CB 1.776 65.108 63.200 0.221 0.000 1.084 324 S HN 0.668 nan 8.310 nan 0.000 0.507 325 Y N 0.557 120.953 120.300 0.160 0.000 2.521 325 Y HA 0.606 5.155 4.550 -0.000 0.000 0.332 325 Y C -1.866 174.180 175.900 0.243 0.000 1.121 325 Y CA -0.613 57.597 58.100 0.183 0.000 1.037 325 Y CB 1.061 39.622 38.460 0.169 0.000 1.330 325 Y HN 0.428 nan 8.280 nan 0.000 0.452 326 V N 4.483 124.137 119.914 -0.432 0.000 2.697 326 V HA 0.889 5.009 4.120 -0.000 0.000 0.300 326 V C -1.197 174.643 176.094 -0.423 0.000 1.115 326 V CA -0.091 62.120 62.300 -0.148 0.000 0.912 326 V CB 1.515 33.500 31.823 0.270 0.000 1.024 326 V HN 1.040 nan 8.190 nan 0.000 0.431 327 A N 5.458 128.032 122.820 -0.410 0.000 2.486 327 A HA 1.048 5.368 4.320 -0.000 0.000 0.300 327 A C -1.286 175.983 177.584 -0.526 0.000 1.048 327 A CA -0.502 51.171 52.037 -0.606 0.000 0.696 327 A CB 1.749 20.272 19.000 -0.796 0.000 1.278 327 A HN 1.424 nan 8.150 nan 0.000 0.405 328 F N -0.630 118.872 119.950 -0.747 0.000 2.662 328 F HA 0.804 5.331 4.527 -0.000 0.000 0.312 328 F C -1.216 174.208 175.800 -0.627 0.000 1.113 328 F CA -1.328 56.304 58.000 -0.612 0.000 0.951 328 F CB 1.665 40.386 39.000 -0.464 0.000 1.344 328 F HN 0.266 nan 8.300 nan 0.000 0.462 329 V N 2.216 121.948 119.914 -0.303 0.000 2.380 329 V HA 0.267 4.387 4.120 -0.000 0.000 0.268 329 V C -2.029 173.916 176.094 -0.248 0.000 1.008 329 V CA -1.388 60.652 62.300 -0.434 0.000 0.823 329 V CB 1.052 32.411 31.823 -0.774 0.000 1.053 329 V HN 0.646 nan 8.190 nan 0.000 0.446 330 P HA -0.211 nan 4.420 nan 0.000 0.216 330 P C 1.539 178.756 177.300 -0.139 0.000 1.157 330 P CA 1.388 64.425 63.100 -0.104 0.000 0.880 330 P CB 0.496 32.154 31.700 -0.069 0.000 0.791 331 E N -1.019 119.091 120.200 -0.149 0.000 2.333 331 E HA -0.186 4.164 4.350 -0.000 0.000 0.198 331 E C 1.674 178.205 176.600 -0.114 0.000 1.007 331 E CA 0.889 57.231 56.400 -0.098 0.000 0.845 331 E CB -0.073 29.610 29.700 -0.029 0.000 0.766 331 E HN 0.056 nan 8.360 nan 0.000 0.507 332 K N -0.416 119.868 120.400 -0.193 0.000 2.348 332 K HA 0.059 4.379 4.320 -0.000 0.000 0.194 332 K C 0.192 176.701 176.600 -0.152 0.000 1.052 332 K CA 0.241 56.428 56.287 -0.166 0.000 1.004 332 K CB 0.316 32.672 32.500 -0.239 0.000 0.873 332 K HN 0.131 nan 8.250 nan 0.000 0.523 333 N N 0.489 119.093 118.700 -0.161 0.000 2.783 333 N HA -0.213 4.527 4.740 -0.000 0.000 0.247 333 N C -1.409 174.020 175.510 -0.136 0.000 1.089 333 N CA 0.063 53.019 53.050 -0.157 0.000 0.690 333 N CB -0.632 37.757 38.487 -0.163 0.000 0.991 333 N HN -0.031 nan 8.380 nan 0.000 0.552 334 L N 0.599 121.745 121.223 -0.128 0.000 2.410 334 L HA 0.880 5.219 4.340 -0.000 0.000 0.270 334 L C 0.287 177.110 176.870 -0.078 0.000 0.983 334 L CA 0.079 54.875 54.840 -0.072 0.000 0.822 334 L CB 1.811 43.821 42.059 -0.083 0.000 1.285 334 L HN 0.106 nan 8.230 nan 0.000 0.409 335 G N 3.990 112.780 108.800 -0.016 0.000 2.682 335 G HA2 0.677 4.637 3.960 -0.000 0.000 0.303 335 G HA3 0.677 4.637 3.960 -0.000 0.000 0.303 335 G C -2.052 172.874 174.900 0.044 0.000 1.341 335 G CA -0.409 44.682 45.100 -0.016 0.000 0.784 335 G HN 0.747 nan 8.290 nan 0.000 0.497 336 I N -1.160 119.443 120.570 0.055 0.000 2.984 336 I HA 0.623 4.793 4.170 -0.000 0.000 0.303 336 I C -1.577 174.636 176.117 0.160 0.000 1.381 336 I CA -0.895 60.488 61.300 0.138 0.000 0.988 336 I CB 2.308 40.413 38.000 0.176 0.000 1.307 336 I HN 0.447 nan 8.210 nan 0.000 0.460 337 V N 6.414 126.463 119.914 0.226 0.000 2.686 337 V HA 0.546 4.666 4.120 -0.000 0.000 0.306 337 V C -0.780 175.478 176.094 0.274 0.000 1.065 337 V CA -0.405 62.040 62.300 0.241 0.000 0.894 337 V CB 2.083 34.058 31.823 0.254 0.000 1.004 337 V HN 0.618 nan 8.190 nan 0.000 0.424 338 M N 6.360 126.128 119.600 0.280 0.000 2.106 338 M HA 0.615 5.094 4.480 -0.000 0.000 0.288 338 M C -1.468 174.947 176.300 0.192 0.000 0.941 338 M CA -0.162 55.300 55.300 0.270 0.000 0.934 338 M CB 1.833 34.641 32.600 0.347 0.000 1.551 338 M HN 0.374 nan 8.290 nan 0.000 0.437 339 L N 2.696 123.925 121.223 0.011 0.000 2.362 339 L HA 1.040 5.380 4.340 -0.000 0.000 0.275 339 L C -0.440 176.215 176.870 -0.358 0.000 0.998 339 L CA -0.782 53.915 54.840 -0.238 0.000 0.820 339 L CB 1.832 43.474 42.059 -0.696 0.000 1.270 339 L HN 0.758 nan 8.230 nan 0.000 0.415 340 A N 1.856 124.709 122.820 0.055 0.000 2.486 340 A HA 0.581 4.901 4.320 -0.000 0.000 0.300 340 A C -0.578 177.289 177.584 0.472 0.000 1.048 340 A CA -0.736 51.466 52.037 0.274 0.000 0.696 340 A CB 1.383 20.589 19.000 0.344 0.000 1.278 340 A HN 0.771 nan 8.150 nan 0.000 0.405 341 N N 1.103 120.032 118.700 0.382 0.000 2.758 341 N HA 0.237 4.977 4.740 -0.000 0.000 0.293 341 N C -0.582 174.886 175.510 -0.071 0.000 1.273 341 N CA -0.125 52.797 53.050 -0.213 0.000 1.022 341 N CB 0.095 38.500 38.487 -0.137 0.000 1.334 341 N HN 0.552 nan 8.380 nan 0.000 0.519 342 K N -0.637 119.813 120.400 0.082 0.000 2.587 342 K HA 0.238 4.558 4.320 -0.000 0.000 0.256 342 K C -1.183 175.571 176.600 0.258 0.000 0.974 342 K CA -0.381 55.996 56.287 0.149 0.000 0.855 342 K CB 1.364 33.954 32.500 0.149 0.000 1.292 342 K HN 0.036 nan 8.250 nan 0.000 0.444 343 S N 2.535 118.364 115.700 0.216 0.000 2.563 343 S HA 0.299 4.769 4.470 -0.000 0.000 0.284 343 S C -1.028 173.755 174.600 0.304 0.000 1.331 343 S CA 0.129 58.456 58.200 0.211 0.000 1.047 343 S CB 0.078 63.357 63.200 0.131 0.000 0.859 343 S HN 0.448 nan 8.310 nan 0.000 0.514 344 Y N 0.479 120.816 120.300 0.062 0.000 2.609 344 Y HA 0.669 5.219 4.550 -0.000 0.000 0.336 344 Y C -3.093 172.823 175.900 0.028 0.000 1.129 344 Y CA -3.101 55.021 58.100 0.038 0.000 1.040 344 Y CB -0.437 38.041 38.460 0.030 0.000 1.310 344 Y HN 0.388 nan 8.280 nan 0.000 0.460 345 P HA 0.069 nan 4.420 nan 0.000 0.264 345 P C 0.255 177.496 177.300 -0.100 0.000 1.183 345 P CA 0.244 63.343 63.100 -0.001 0.000 0.763 345 P CB 0.834 32.557 31.700 0.037 0.000 0.807 346 N N 3.730 122.355 118.700 -0.124 0.000 2.166 346 N HA -0.099 4.641 4.740 -0.000 0.000 0.186 346 N C -0.940 174.495 175.510 -0.124 0.000 1.019 346 N CA 1.631 54.584 53.050 -0.162 0.000 0.856 346 N CB -1.652 36.760 38.487 -0.124 0.000 0.993 346 N HN 0.423 nan 8.380 nan 0.000 0.426 347 P HA -0.089 nan 4.420 nan 0.000 0.216 347 P C 1.741 179.021 177.300 -0.033 0.000 1.150 347 P CA 0.773 63.840 63.100 -0.056 0.000 0.843 347 P CB 0.038 31.713 31.700 -0.042 0.000 0.787 348 V N 0.602 120.520 119.914 0.007 0.000 2.287 348 V HA -0.272 3.847 4.120 -0.000 0.000 0.248 348 V C 2.556 178.708 176.094 0.097 0.000 1.053 348 V CA 1.920 64.268 62.300 0.081 0.000 1.027 348 V CB -1.094 30.846 31.823 0.196 0.000 0.646 348 V HN 0.130 nan 8.190 nan 0.000 0.447 349 R N 0.151 120.657 120.500 0.009 0.000 2.070 349 R HA -0.099 4.241 4.340 -0.000 0.000 0.233 349 R C 2.265 178.474 176.300 -0.152 0.000 1.137 349 R CA 1.554 57.627 56.100 -0.046 0.000 0.945 349 R CB -1.142 28.951 30.300 -0.344 0.000 0.845 349 R HN 0.447 nan 8.270 nan 0.000 0.430 350 V N 1.895 121.640 119.914 -0.282 0.000 2.332 350 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 350 V C 2.433 178.583 176.094 0.092 0.000 1.055 350 V CA 1.886 64.076 62.300 -0.183 0.000 1.038 350 V CB -0.626 31.130 31.823 -0.112 0.000 0.651 350 V HN 0.377 nan 8.190 nan 0.000 0.450 351 E N 0.117 120.353 120.200 0.059 0.000 2.048 351 E HA -0.325 4.025 4.350 -0.000 0.000 0.202 351 E C 2.291 179.022 176.600 0.219 0.000 1.021 351 E CA 1.817 58.290 56.400 0.121 0.000 0.825 351 E CB -0.291 29.449 29.700 0.066 0.000 0.756 351 E HN 0.586 nan 8.360 nan 0.000 0.454 352 A N 0.985 123.904 122.820 0.165 0.000 1.877 352 A HA -0.156 4.163 4.320 -0.000 0.000 0.216 352 A C 2.389 180.102 177.584 0.216 0.000 1.186 352 A CA 2.073 54.208 52.037 0.163 0.000 0.620 352 A CB -0.916 18.167 19.000 0.138 0.000 0.822 352 A HN 0.420 nan 8.150 nan 0.000 0.443 353 A N -0.890 122.104 122.820 0.290 0.000 1.873 353 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 353 A C 2.131 179.986 177.584 0.451 0.000 1.193 353 A CA 1.647 53.939 52.037 0.425 0.000 0.629 353 A CB -1.216 18.189 19.000 0.676 0.000 0.826 353 A HN 0.878 nan 8.150 nan 0.000 0.447 354 W N 0.880 122.377 121.300 0.329 0.000 2.301 354 W HA -0.270 4.390 4.660 0.000 0.000 0.325 354 W C 2.351 178.978 176.519 0.180 0.000 1.250 354 W CA 2.333 59.828 57.345 0.251 0.000 1.261 354 W CB -0.420 29.092 29.460 0.087 0.000 1.157 354 W HN 0.356 nan 8.180 nan 0.000 0.473 355 R N -0.208 120.398 120.500 0.177 0.000 2.091 355 R HA -0.207 4.132 4.340 -0.000 0.000 0.238 355 R C 2.181 178.453 176.300 -0.047 0.000 1.136 355 R CA 2.113 58.234 56.100 0.034 0.000 0.959 355 R CB -0.755 29.608 30.300 0.104 0.000 0.856 355 R HN 0.345 nan 8.270 nan 0.000 0.437 356 I N 0.794 121.372 120.570 0.014 0.000 2.133 356 I HA -0.274 3.896 4.170 -0.000 0.000 0.238 356 I C 2.242 178.334 176.117 -0.041 0.000 1.074 356 I CA 1.472 62.766 61.300 -0.010 0.000 1.342 356 I CB -0.416 37.605 38.000 0.036 0.000 1.053 356 I HN 0.132 nan 8.210 nan 0.000 0.404 357 L N 0.276 121.498 121.223 -0.002 0.000 2.240 357 L HA -0.120 4.219 4.340 -0.000 0.000 0.211 357 L C 2.501 179.314 176.870 -0.095 0.000 1.106 357 L CA 0.633 55.473 54.840 -0.001 0.000 0.793 357 L CB -0.508 41.609 42.059 0.096 0.000 0.927 357 L HN 0.207 nan 8.230 nan 0.000 0.446 358 E N 1.481 121.504 120.200 -0.296 0.000 2.085 358 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 358 E C 1.813 178.303 176.600 -0.183 0.000 0.994 358 E CA 1.548 57.699 56.400 -0.415 0.000 0.801 358 E CB -0.004 29.221 29.700 -0.792 0.000 0.743 358 E HN 0.286 nan 8.360 nan 0.000 0.453 359 K N -0.701 119.613 120.400 -0.142 0.000 2.525 359 K HA 0.025 4.344 4.320 -0.000 0.000 0.192 359 K C -0.196 176.353 176.600 -0.085 0.000 1.029 359 K CA 0.059 56.290 56.287 -0.094 0.000 1.029 359 K CB 0.335 32.781 32.500 -0.091 0.000 0.814 359 K HN 0.085 nan 8.250 nan 0.000 0.503 360 L N 0.783 121.967 121.223 -0.065 0.000 3.186 360 L HA 0.247 4.587 4.340 -0.000 0.000 0.292 360 L C -0.252 176.678 176.870 0.101 0.000 1.303 360 L CA 0.298 55.123 54.840 -0.023 0.000 0.940 360 L CB 0.193 42.206 42.059 -0.078 0.000 1.358 360 L HN 0.064 nan 8.230 nan 0.000 0.581 361 Q N 0.000 119.847 119.800 0.079 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.882 55.803 0.132 0.000 1.022 361 Q CB 0.000 28.828 28.738 0.151 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481