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 1l5a_1_C DATA FIRST_RESID 1 DATA SEQUENCE MLLAQKPFWQ RHLAYPHINL DTVAHSLRLT GPLDTTLLLR ALHLTVSEID DATA SEQUENCE LFRARFSAQG ELYWHPFSPP IDYQDLSIHL EAEPLAWRQI EQDLQRSSTL DATA SEQUENCE IDAPITSHQV YRLSHSEHLI YTRAHHIVLD GYGMMLFEQR LSQHYQSLLS DATA SEQUENCE GQTPTAAFKP YQSYLEEEAA YLTSHRYWQD KQFWQGYLRE APDLTLTSAT DATA SEQUENCE YDPQLSHAVS LSYTLNSQLN HLLLKLANAN QIGWPDALVA LCALYLESAE DATA SEQUENCE PDAPWLWLPF MNRWGSVAAN VPGLMVNSLP LLRLSAQQTS LGNYLKQSGQ DATA SEQUENCE AIRSLYLHGR YRIEQIEQDQ GLNAEQSYFM SPFINILPFE SPHFADCQTE DATA SEQUENCE LKVLASGSAE GINFTFRGSP QHELCLDITA DLASYPQSHW QSHCERFPRF DATA SEQUENCE FEQLLARFQQ VEQDVARLLA EPAA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.355 176.300 0.091 0.000 1.140 1 M CA 0.000 55.349 55.300 0.081 0.000 0.988 1 M CB 0.000 32.600 32.600 -0.000 0.000 1.302 2 L N 3.293 124.607 121.223 0.151 0.000 2.472 2 L HA 0.135 4.475 4.340 -0.000 0.000 0.260 2 L C 1.154 178.094 176.870 0.116 0.000 1.209 2 L CA -0.545 54.378 54.840 0.139 0.000 0.817 2 L CB 0.390 42.575 42.059 0.210 0.000 1.106 2 L HN 0.814 nan 8.230 nan 0.000 0.479 3 L N 2.318 123.595 121.223 0.090 0.000 2.046 3 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 3 L C 2.417 179.349 176.870 0.103 0.000 1.077 3 L CA 2.193 57.075 54.840 0.070 0.000 0.747 3 L CB -0.863 41.216 42.059 0.033 0.000 0.896 3 L HN 0.775 nan 8.230 nan 0.000 0.432 4 A N -1.268 121.638 122.820 0.143 0.000 2.024 4 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 4 A C 2.141 179.907 177.584 0.302 0.000 1.164 4 A CA 1.970 54.128 52.037 0.202 0.000 0.643 4 A CB -0.479 18.663 19.000 0.236 0.000 0.806 4 A HN 0.714 nan 8.150 nan 0.000 0.451 5 Q N -0.860 119.104 119.800 0.274 0.000 2.250 5 Q HA -0.023 4.317 4.340 -0.000 0.000 0.200 5 Q C 1.749 177.915 176.000 0.277 0.000 0.941 5 Q CA 0.545 56.545 55.803 0.329 0.000 0.872 5 Q CB -0.056 28.814 28.738 0.219 0.000 0.965 5 Q HN 0.471 nan 8.270 nan 0.000 0.480 6 K N 0.918 121.421 120.400 0.173 0.000 2.034 6 K HA -0.176 4.144 4.320 -0.000 0.000 0.214 6 K C -0.731 175.959 176.600 0.151 0.000 1.051 6 K CA 1.643 58.023 56.287 0.155 0.000 0.931 6 K CB -1.521 31.034 32.500 0.091 0.000 0.715 6 K HN 0.262 nan 8.250 nan 0.000 0.446 7 P HA -0.143 nan 4.420 nan 0.000 0.218 7 P C 1.484 178.711 177.300 -0.122 0.000 1.149 7 P CA 1.393 64.432 63.100 -0.101 0.000 0.817 7 P CB -0.195 31.353 31.700 -0.252 0.000 0.785 8 F N -1.452 118.552 119.950 0.090 0.000 2.206 8 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 8 F C 2.858 178.700 175.800 0.071 0.000 1.090 8 F CA 0.780 58.847 58.000 0.112 0.000 1.323 8 F CB -1.125 37.981 39.000 0.177 0.000 1.028 8 F HN -0.033 nan 8.300 nan 0.000 0.492 9 W N 1.702 123.028 121.300 0.044 0.000 2.333 9 W HA -0.249 4.411 4.660 -0.000 0.000 0.316 9 W C 2.012 178.538 176.519 0.012 0.000 1.215 9 W CA 2.001 59.288 57.345 -0.097 0.000 1.278 9 W CB -0.568 28.785 29.460 -0.178 0.000 1.154 9 W HN 0.148 nan 8.180 nan 0.000 0.486 10 Q N 0.070 119.862 119.800 -0.013 0.000 2.096 10 Q HA -0.233 4.107 4.340 -0.000 0.000 0.204 10 Q C 2.306 178.247 176.000 -0.099 0.000 0.982 10 Q CA 1.885 57.636 55.803 -0.087 0.000 0.850 10 Q CB -0.445 28.304 28.738 0.018 0.000 0.901 10 Q HN 0.271 nan 8.270 nan 0.000 0.422 11 R N -0.610 119.888 120.500 -0.003 0.000 2.105 11 R HA -0.196 4.144 4.340 -0.000 0.000 0.239 11 R C 2.128 178.481 176.300 0.089 0.000 1.135 11 R CA 1.645 57.804 56.100 0.098 0.000 0.967 11 R CB -0.269 30.088 30.300 0.095 0.000 0.861 11 R HN 0.393 nan 8.270 nan 0.000 0.442 12 H N 0.358 119.357 119.070 -0.119 0.000 2.326 12 H HA -0.010 4.546 4.556 -0.000 0.000 0.301 12 H C 1.840 176.994 175.328 -0.290 0.000 1.081 12 H CA 1.573 57.506 56.048 -0.192 0.000 1.334 12 H CB -0.039 29.508 29.762 -0.358 0.000 1.385 12 H HN 0.058 nan 8.280 nan 0.000 0.504 13 L N -0.187 120.803 121.223 -0.389 0.000 2.083 13 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 13 L C 2.804 179.484 176.870 -0.317 0.000 1.083 13 L CA 0.929 55.545 54.840 -0.374 0.000 0.752 13 L CB -0.638 41.199 42.059 -0.369 0.000 0.899 13 L HN 0.463 nan 8.230 nan 0.000 0.433 14 A N -0.603 122.025 122.820 -0.321 0.000 1.898 14 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 14 A C 0.440 177.567 177.584 -0.762 0.000 1.181 14 A CA 1.224 52.931 52.037 -0.550 0.000 0.620 14 A CB -0.365 18.269 19.000 -0.611 0.000 0.819 14 A HN 0.441 nan 8.150 nan 0.000 0.442 15 Y N -1.707 118.504 120.300 -0.148 0.000 2.787 15 Y HA 0.379 4.929 4.550 -0.000 0.000 0.352 15 Y C -2.240 173.513 175.900 -0.246 0.000 1.027 15 Y CA -2.338 55.689 58.100 -0.122 0.000 1.219 15 Y CB 0.780 39.119 38.460 -0.201 0.000 1.110 15 Y HN 0.152 nan 8.280 nan 0.000 0.614 16 P HA -0.167 nan 4.420 nan 0.000 0.219 16 P C 1.337 178.574 177.300 -0.105 0.000 1.150 16 P CA 1.585 64.491 63.100 -0.324 0.000 0.814 16 P CB 0.122 31.680 31.700 -0.235 0.000 0.787 17 H N -0.725 118.282 119.070 -0.105 0.000 2.563 17 H HA 0.105 4.661 4.556 -0.000 0.000 0.272 17 H C 0.783 176.095 175.328 -0.028 0.000 1.005 17 H CA 0.165 56.183 56.048 -0.050 0.000 1.171 17 H CB -0.955 28.787 29.762 -0.034 0.000 1.351 17 H HN 0.209 nan 8.280 nan 0.000 0.602 18 I N -2.227 118.145 120.570 -0.330 0.000 2.865 18 I HA 0.411 4.581 4.170 -0.000 0.000 0.302 18 I C -1.029 175.015 176.117 -0.121 0.000 1.140 18 I CA -1.234 59.917 61.300 -0.249 0.000 1.021 18 I CB 2.373 40.149 38.000 -0.374 0.000 1.233 18 I HN -0.278 nan 8.210 nan 0.000 0.427 19 N N 5.092 123.745 118.700 -0.079 0.000 2.767 19 N HA 0.344 5.084 4.740 -0.000 0.000 0.238 19 N C 0.596 176.060 175.510 -0.076 0.000 1.083 19 N CA -0.256 52.768 53.050 -0.043 0.000 0.964 19 N CB 1.593 40.061 38.487 -0.031 0.000 1.252 19 N HN 0.682 nan 8.380 nan 0.000 0.512 20 L N 0.002 121.184 121.223 -0.068 0.000 2.095 20 L HA 0.031 4.371 4.340 -0.000 0.000 0.204 20 L C 0.177 177.006 176.870 -0.068 0.000 1.080 20 L CA 1.025 55.816 54.840 -0.081 0.000 0.759 20 L CB 0.114 42.125 42.059 -0.081 0.000 0.914 20 L HN 0.192 nan 8.230 nan 0.000 0.439 21 D N 0.470 120.809 120.400 -0.103 0.000 2.736 21 D HA 0.188 4.828 4.640 -0.000 0.000 0.293 21 D C -0.314 175.717 176.300 -0.448 0.000 1.241 21 D CA 0.119 54.023 54.000 -0.160 0.000 0.965 21 D CB 0.937 41.815 40.800 0.130 0.000 0.992 21 D HN 0.009 nan 8.370 nan 0.000 0.510 22 T N 0.253 114.662 114.554 -0.241 0.000 2.859 22 T HA 0.433 4.783 4.350 -0.000 0.000 0.281 22 T C 0.243 174.886 174.700 -0.097 0.000 1.005 22 T CA -0.504 61.468 62.100 -0.214 0.000 1.025 22 T CB 2.468 71.260 68.868 -0.127 0.000 0.977 22 T HN -0.116 nan 8.240 nan 0.000 0.458 23 V N 1.982 121.813 119.914 -0.138 0.000 2.495 23 V HA 0.884 5.004 4.120 -0.000 0.000 0.298 23 V C -0.266 175.743 176.094 -0.142 0.000 1.031 23 V CA -0.775 61.456 62.300 -0.114 0.000 0.871 23 V CB 1.398 33.083 31.823 -0.231 0.000 0.988 23 V HN 1.118 nan 8.190 nan 0.000 0.432 24 A N 3.634 126.451 122.820 -0.006 0.000 2.491 24 A HA 0.752 5.072 4.320 -0.000 0.000 0.293 24 A C -1.125 176.611 177.584 0.253 0.000 1.047 24 A CA -0.493 51.522 52.037 -0.037 0.000 0.735 24 A CB 1.164 20.172 19.000 0.014 0.000 1.281 24 A HN 0.945 nan 8.150 nan 0.000 0.398 25 H N 0.860 119.870 119.070 -0.100 0.000 2.690 25 H HA 0.679 5.235 4.556 -0.000 0.000 0.368 25 H C -0.252 175.137 175.328 0.102 0.000 1.150 25 H CA -0.481 55.593 56.048 0.044 0.000 1.174 25 H CB 2.261 32.062 29.762 0.064 0.000 1.684 25 H HN 0.784 nan 8.280 nan 0.000 0.538 26 S N 3.274 119.134 115.700 0.267 0.000 2.482 26 S HA 0.558 5.028 4.470 -0.000 0.000 0.303 26 S C -0.884 173.850 174.600 0.223 0.000 1.091 26 S CA -0.920 57.437 58.200 0.262 0.000 1.057 26 S CB 1.100 64.475 63.200 0.291 0.000 1.031 26 S HN 0.427 nan 8.310 nan 0.000 0.485 27 L N 3.015 124.357 121.223 0.199 0.000 2.343 27 L HA 0.582 4.922 4.340 -0.000 0.000 0.278 27 L C 0.167 177.111 176.870 0.123 0.000 0.996 27 L CA -0.581 54.363 54.840 0.173 0.000 0.831 27 L CB 1.750 43.919 42.059 0.183 0.000 1.232 27 L HN 0.689 nan 8.230 nan 0.000 0.413 28 R N 4.323 124.900 120.500 0.128 0.000 2.295 28 R HA 0.655 4.995 4.340 -0.000 0.000 0.324 28 R C -1.395 174.942 176.300 0.062 0.000 0.968 28 R CA -0.583 55.583 56.100 0.109 0.000 0.837 28 R CB 1.038 31.434 30.300 0.160 0.000 1.133 28 R HN 0.587 nan 8.270 nan 0.000 0.450 29 L N 3.705 124.938 121.223 0.016 0.000 2.305 29 L HA 0.415 4.755 4.340 -0.000 0.000 0.284 29 L C -0.354 176.527 176.870 0.018 0.000 1.013 29 L CA -0.676 54.142 54.840 -0.037 0.000 0.819 29 L CB 2.159 44.073 42.059 -0.241 0.000 1.227 29 L HN 0.585 nan 8.230 nan 0.000 0.417 30 T N 2.311 116.880 114.554 0.025 0.000 2.772 30 T HA 0.760 5.110 4.350 -0.000 0.000 0.288 30 T C 0.153 174.870 174.700 0.029 0.000 0.994 30 T CA -0.530 61.587 62.100 0.028 0.000 0.951 30 T CB 1.549 70.437 68.868 0.033 0.000 0.933 30 T HN 0.937 nan 8.240 nan 0.000 0.447 31 G N 4.067 112.883 108.800 0.027 0.000 2.350 31 G HA2 0.301 4.260 3.960 -0.000 0.000 0.304 31 G HA3 0.301 4.260 3.960 -0.000 0.000 0.304 31 G C -3.223 171.713 174.900 0.062 0.000 1.421 31 G CA -1.003 44.122 45.100 0.041 0.000 0.934 31 G HN 0.309 nan 8.290 nan 0.000 0.632 32 P HA 0.238 nan 4.420 nan 0.000 0.230 32 P C 0.431 177.796 177.300 0.108 0.000 1.791 32 P CA -0.111 63.072 63.100 0.138 0.000 1.020 32 P CB 0.060 31.846 31.700 0.143 0.000 1.977 33 L N 0.755 122.011 121.223 0.055 0.000 2.418 33 L HA 0.390 4.729 4.340 -0.000 0.000 0.265 33 L C 0.204 177.083 176.870 0.014 0.000 1.143 33 L CA -0.270 54.554 54.840 -0.027 0.000 0.809 33 L CB 0.756 42.627 42.059 -0.314 0.000 1.124 33 L HN -0.037 nan 8.230 nan 0.000 0.456 34 D N 2.559 123.044 120.400 0.141 0.000 2.422 34 D HA 0.070 4.710 4.640 -0.000 0.000 0.227 34 D C 0.865 177.192 176.300 0.046 0.000 1.190 34 D CA -0.095 53.978 54.000 0.122 0.000 0.905 34 D CB 1.430 42.315 40.800 0.142 0.000 1.034 34 D HN 0.726 nan 8.370 nan 0.000 0.507 35 T N 2.318 116.853 114.554 -0.032 0.000 2.635 35 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 35 T C 1.815 176.458 174.700 -0.095 0.000 1.040 35 T CA 1.770 63.820 62.100 -0.083 0.000 1.156 35 T CB -0.162 68.765 68.868 0.098 0.000 0.863 35 T HN 0.440 nan 8.240 nan 0.000 0.430 36 T N 2.526 117.040 114.554 -0.066 0.000 2.720 36 T HA -0.014 4.336 4.350 -0.000 0.000 0.268 36 T C 1.971 176.638 174.700 -0.054 0.000 1.037 36 T CA 1.013 63.056 62.100 -0.096 0.000 1.144 36 T CB -0.490 68.336 68.868 -0.069 0.000 0.864 36 T HN 0.283 nan 8.240 nan 0.000 0.444 37 L N 0.510 121.740 121.223 0.011 0.000 2.217 37 L HA 0.045 4.385 4.340 -0.000 0.000 0.211 37 L C 2.539 179.526 176.870 0.194 0.000 1.107 37 L CA 0.612 55.477 54.840 0.043 0.000 0.783 37 L CB -0.613 41.410 42.059 -0.060 0.000 0.919 37 L HN 0.261 nan 8.230 nan 0.000 0.442 38 L N 0.257 121.619 121.223 0.232 0.000 2.017 38 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 38 L C 2.526 179.418 176.870 0.036 0.000 1.073 38 L CA 1.751 56.662 54.840 0.119 0.000 0.745 38 L CB -0.245 41.689 42.059 -0.209 0.000 0.894 38 L HN 0.282 nan 8.230 nan 0.000 0.432 39 L N -0.367 120.828 121.223 -0.046 0.000 2.012 39 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 39 L C 2.794 179.660 176.870 -0.006 0.000 1.073 39 L CA 1.472 56.270 54.840 -0.070 0.000 0.748 39 L CB -0.625 41.309 42.059 -0.208 0.000 0.891 39 L HN 0.303 nan 8.230 nan 0.000 0.431 40 R N 0.705 121.197 120.500 -0.013 0.000 2.073 40 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 40 R C 2.255 178.568 176.300 0.021 0.000 1.134 40 R CA 1.803 57.903 56.100 0.001 0.000 0.952 40 R CB -0.707 29.575 30.300 -0.029 0.000 0.850 40 R HN 0.302 nan 8.270 nan 0.000 0.433 41 A N 0.547 123.394 122.820 0.045 0.000 1.908 41 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 41 A C 2.083 179.679 177.584 0.020 0.000 1.181 41 A CA 1.655 53.723 52.037 0.052 0.000 0.627 41 A CB -0.769 18.369 19.000 0.229 0.000 0.818 41 A HN 0.395 nan 8.150 nan 0.000 0.445 42 L N -0.951 120.308 121.223 0.061 0.000 2.093 42 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 42 L C 2.278 179.178 176.870 0.050 0.000 1.085 42 L CA 2.711 57.593 54.840 0.069 0.000 0.755 42 L CB -0.887 41.237 42.059 0.108 0.000 0.904 42 L HN 0.638 nan 8.230 nan 0.000 0.435 43 H N -0.914 118.133 119.070 -0.039 0.000 2.353 43 H HA -0.129 4.427 4.556 -0.000 0.000 0.300 43 H C 2.017 177.296 175.328 -0.080 0.000 1.090 43 H CA 2.279 58.296 56.048 -0.051 0.000 1.327 43 H CB -0.110 29.615 29.762 -0.061 0.000 1.383 43 H HN 0.382 nan 8.280 nan 0.000 0.508 44 L N -0.786 120.300 121.223 -0.228 0.000 2.109 44 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 44 L C 2.451 179.166 176.870 -0.259 0.000 1.086 44 L CA 1.454 56.066 54.840 -0.380 0.000 0.760 44 L CB -0.459 41.165 42.059 -0.726 0.000 0.910 44 L HN 0.336 nan 8.230 nan 0.000 0.437 45 T N -0.023 114.454 114.554 -0.128 0.000 2.708 45 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 45 T C 1.935 176.722 174.700 0.144 0.000 1.037 45 T CA 1.705 63.855 62.100 0.082 0.000 1.146 45 T CB -0.330 68.566 68.868 0.046 0.000 0.865 45 T HN 0.330 nan 8.240 nan 0.000 0.435 46 V N 1.658 121.629 119.914 0.094 0.000 2.626 46 V HA -0.104 4.016 4.120 -0.000 0.000 0.252 46 V C 2.466 178.570 176.094 0.017 0.000 1.067 46 V CA 1.809 64.175 62.300 0.110 0.000 1.081 46 V CB -1.390 30.400 31.823 -0.055 0.000 0.686 46 V HN 0.574 nan 8.190 nan 0.000 0.468 47 S N 0.366 116.012 115.700 -0.090 0.000 2.453 47 S HA -0.095 4.375 4.470 -0.000 0.000 0.231 47 S C 1.702 176.291 174.600 -0.019 0.000 1.005 47 S CA 1.244 59.387 58.200 -0.094 0.000 0.949 47 S CB -0.554 62.514 63.200 -0.220 0.000 0.774 47 S HN 0.768 nan 8.310 nan 0.000 0.510 48 E N 0.553 120.778 120.200 0.042 0.000 2.435 48 E HA 0.204 4.554 4.350 -0.000 0.000 0.195 48 E C -0.159 176.518 176.600 0.128 0.000 1.029 48 E CA 0.223 56.699 56.400 0.128 0.000 0.865 48 E CB -0.015 29.823 29.700 0.230 0.000 0.833 48 E HN 0.612 nan 8.360 nan 0.000 0.510 49 I N 2.378 122.937 120.570 -0.020 0.000 2.276 49 I HA 0.009 4.179 4.170 -0.000 0.000 0.290 49 I C 0.604 176.577 176.117 -0.241 0.000 1.109 49 I CA -0.421 60.703 61.300 -0.294 0.000 1.229 49 I CB 0.731 38.246 38.000 -0.808 0.000 1.452 49 I HN -0.125 nan 8.210 nan 0.000 0.497 50 D N 3.362 123.679 120.400 -0.139 0.000 2.126 50 D HA -0.214 4.426 4.640 -0.000 0.000 0.190 50 D C 2.043 178.339 176.300 -0.006 0.000 1.001 50 D CA 1.493 55.440 54.000 -0.088 0.000 0.841 50 D CB 0.176 40.892 40.800 -0.141 0.000 0.949 50 D HN 0.390 nan 8.370 nan 0.000 0.446 51 L N 0.394 121.529 121.223 -0.146 0.000 2.189 51 L HA -0.133 4.207 4.340 -0.000 0.000 0.214 51 L C 2.062 179.000 176.870 0.113 0.000 1.097 51 L CA 1.194 55.965 54.840 -0.114 0.000 0.764 51 L CB -0.674 41.141 42.059 -0.407 0.000 0.900 51 L HN 0.079 nan 8.230 nan 0.000 0.436 52 F N -1.155 118.773 119.950 -0.038 0.000 2.546 52 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 52 F C 1.967 177.768 175.800 0.002 0.000 1.120 52 F CA -0.024 57.965 58.000 -0.019 0.000 1.456 52 F CB -0.104 38.910 39.000 0.023 0.000 1.088 52 F HN 0.067 nan 8.300 nan 0.000 0.572 53 R N 0.344 120.981 120.500 0.228 0.000 2.334 53 R HA 0.223 4.563 4.340 -0.000 0.000 0.220 53 R C 0.628 176.947 176.300 0.031 0.000 0.917 53 R CA -0.218 55.997 56.100 0.192 0.000 1.073 53 R CB 0.156 30.615 30.300 0.264 0.000 1.056 53 R HN -0.002 nan 8.270 nan 0.000 0.506 54 A N 1.693 124.430 122.820 -0.139 0.000 2.407 54 A HA 0.370 4.690 4.320 -0.000 0.000 0.248 54 A C 0.046 177.166 177.584 -0.774 0.000 1.082 54 A CA 0.150 51.798 52.037 -0.648 0.000 0.785 54 A CB 0.447 19.017 19.000 -0.718 0.000 1.020 54 A HN 0.224 nan 8.150 nan 0.000 0.489 55 R N -0.384 119.363 120.500 -1.254 0.000 2.710 55 R HA 0.574 4.914 4.340 -0.000 0.000 0.270 55 R C -1.936 173.503 176.300 -1.435 0.000 1.021 55 R CA -0.538 54.866 56.100 -1.159 0.000 0.889 55 R CB 1.685 31.320 30.300 -1.108 0.000 1.243 55 R HN 0.618 nan 8.270 nan 0.000 0.464 56 F N 0.186 119.930 119.950 -0.343 0.000 2.551 56 F HA 0.369 4.896 4.527 -0.000 0.000 0.316 56 F C 0.717 176.573 175.800 0.093 0.000 1.089 56 F CA -0.834 57.052 58.000 -0.189 0.000 0.915 56 F CB 2.122 40.944 39.000 -0.297 0.000 1.186 56 F HN 0.482 nan 8.300 nan 0.000 0.456 57 S N 1.062 116.921 115.700 0.265 0.000 2.645 57 S HA 0.570 5.040 4.470 -0.000 0.000 0.266 57 S C 1.090 175.832 174.600 0.236 0.000 1.258 57 S CA -0.225 58.107 58.200 0.220 0.000 0.990 57 S CB 1.455 64.707 63.200 0.086 0.000 0.967 57 S HN 0.876 nan 8.310 nan 0.000 0.556 58 A N 0.289 123.242 122.820 0.221 0.000 2.131 58 A HA -0.056 4.264 4.320 -0.000 0.000 0.220 58 A C 1.863 179.615 177.584 0.281 0.000 1.158 58 A CA 1.286 53.487 52.037 0.275 0.000 0.665 58 A CB -0.812 18.291 19.000 0.173 0.000 0.795 58 A HN 0.771 nan 8.150 nan 0.000 0.460 59 Q N -1.618 118.276 119.800 0.156 0.000 2.360 59 Q HA 0.331 4.670 4.340 -0.000 0.000 0.202 59 Q C 1.121 177.109 176.000 -0.019 0.000 0.915 59 Q CA 0.751 56.611 55.803 0.095 0.000 0.943 59 Q CB 0.192 28.951 28.738 0.035 0.000 1.064 59 Q HN 0.892 nan 8.270 nan 0.000 0.511 60 G N 0.627 109.308 108.800 -0.197 0.000 2.132 60 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.228 60 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.228 60 G C -0.241 174.381 174.900 -0.464 0.000 1.000 60 G CA 0.152 44.724 45.100 -0.879 0.000 0.693 60 G HN 0.336 nan 8.290 nan 0.000 0.515 61 E N -0.052 120.037 120.200 -0.185 0.000 2.229 61 E HA 0.520 4.870 4.350 -0.000 0.000 0.283 61 E C 0.301 176.852 176.600 -0.083 0.000 1.030 61 E CA -0.834 55.511 56.400 -0.092 0.000 0.836 61 E CB 0.606 30.283 29.700 -0.038 0.000 1.068 61 E HN 0.343 nan 8.360 nan 0.000 0.401 62 L N 7.213 128.325 121.223 -0.185 0.000 2.278 62 L HA 0.305 4.645 4.340 -0.000 0.000 0.287 62 L C -1.077 175.448 176.870 -0.576 0.000 1.072 62 L CA -0.481 54.013 54.840 -0.577 0.000 0.819 62 L CB -0.030 41.696 42.059 -0.555 0.000 1.176 62 L HN 0.592 nan 8.230 nan 0.000 0.435 63 Y N 2.241 122.081 120.300 -0.767 0.000 2.675 63 Y HA 0.687 5.237 4.550 -0.000 0.000 0.328 63 Y C -1.490 173.882 175.900 -0.881 0.000 1.092 63 Y CA -1.602 56.106 58.100 -0.654 0.000 1.190 63 Y CB 0.704 38.994 38.460 -0.283 0.000 1.350 63 Y HN 0.376 nan 8.280 nan 0.000 0.525 64 W N 1.216 122.525 121.300 0.015 0.000 2.417 64 W HA 0.378 5.038 4.660 -0.000 0.000 0.315 64 W C -0.246 176.267 176.519 -0.009 0.000 1.045 64 W CA -0.620 56.678 57.345 -0.078 0.000 1.221 64 W CB 0.822 30.255 29.460 -0.046 0.000 1.309 64 W HN 0.514 nan 8.180 nan 0.000 0.453 65 H N 5.725 124.805 119.070 0.018 0.000 2.764 65 H HA 0.033 4.589 4.556 -0.000 0.000 0.341 65 H C -1.190 174.103 175.328 -0.058 0.000 1.072 65 H CA -1.110 54.916 56.048 -0.037 0.000 1.444 65 H CB 1.796 31.521 29.762 -0.062 0.000 1.458 65 H HN 0.230 nan 8.280 nan 0.000 0.572 66 P HA -0.058 nan 4.420 nan 0.000 0.229 66 P C -0.341 176.697 177.300 -0.437 0.000 1.160 66 P CA 0.817 63.583 63.100 -0.556 0.000 0.777 66 P CB 0.225 31.452 31.700 -0.789 0.000 0.814 67 F N 0.560 120.414 119.950 -0.160 0.000 2.458 67 F HA 0.303 4.830 4.527 -0.000 0.000 0.330 67 F C 1.453 177.346 175.800 0.155 0.000 1.082 67 F CA -1.366 56.646 58.000 0.020 0.000 0.995 67 F CB 1.168 40.189 39.000 0.034 0.000 1.170 67 F HN -0.233 nan 8.300 nan 0.000 0.478 68 S N 1.341 117.226 115.700 0.308 0.000 2.596 68 S HA 0.345 4.815 4.470 -0.000 0.000 0.260 68 S C -2.666 172.074 174.600 0.234 0.000 1.336 68 S CA -1.207 57.114 58.200 0.203 0.000 0.993 68 S CB 0.086 63.328 63.200 0.070 0.000 0.923 68 S HN 0.268 nan 8.310 nan 0.000 0.567 69 P HA 0.375 nan 4.420 nan 0.000 0.272 69 P C -2.497 174.902 177.300 0.164 0.000 1.223 69 P CA -1.169 62.045 63.100 0.190 0.000 0.784 69 P CB -0.510 31.323 31.700 0.220 0.000 0.923 70 P HA 0.265 nan 4.420 nan 0.000 0.274 70 P C -0.560 176.838 177.300 0.163 0.000 1.231 70 P CA 0.115 63.306 63.100 0.152 0.000 0.790 70 P CB 0.478 32.254 31.700 0.127 0.000 0.951 71 I N 2.322 122.979 120.570 0.146 0.000 2.371 71 I HA 0.174 4.344 4.170 -0.000 0.000 0.282 71 I C -0.265 175.925 176.117 0.121 0.000 1.031 71 I CA -0.542 60.849 61.300 0.151 0.000 1.180 71 I CB 0.854 38.939 38.000 0.141 0.000 1.336 71 I HN 0.116 nan 8.210 nan 0.000 0.467 72 D N 6.687 127.146 120.400 0.098 0.000 2.336 72 D HA 0.110 4.750 4.640 -0.000 0.000 0.249 72 D C -0.703 175.600 176.300 0.005 0.000 1.213 72 D CA 0.208 54.237 54.000 0.048 0.000 0.870 72 D CB 1.320 42.130 40.800 0.016 0.000 1.076 72 D HN 0.336 nan 8.370 nan 0.000 0.483 73 Y N 1.596 121.840 120.300 -0.092 0.000 2.409 73 Y HA 0.341 4.891 4.550 -0.000 0.000 0.339 73 Y C -0.868 174.975 175.900 -0.095 0.000 1.033 73 Y CA -0.586 57.438 58.100 -0.126 0.000 1.094 73 Y CB 1.419 39.845 38.460 -0.056 0.000 1.210 73 Y HN 0.190 nan 8.280 nan 0.000 0.456 74 Q N 4.382 123.582 119.800 -1.000 0.000 2.263 74 Q HA 0.177 4.517 4.340 -0.000 0.000 0.266 74 Q C -1.971 173.527 176.000 -0.836 0.000 1.002 74 Q CA -0.975 54.392 55.803 -0.726 0.000 0.790 74 Q CB 2.121 30.741 28.738 -0.197 0.000 1.272 74 Q HN 0.652 nan 8.270 nan 0.000 0.435 75 D N 3.210 123.218 120.400 -0.654 0.000 2.316 75 D HA 0.207 4.847 4.640 -0.000 0.000 0.245 75 D C -0.059 176.153 176.300 -0.146 0.000 1.171 75 D CA -0.001 53.825 54.000 -0.290 0.000 0.856 75 D CB 0.930 41.686 40.800 -0.073 0.000 1.090 75 D HN 0.576 nan 8.370 nan 0.000 0.476 76 L N 2.634 123.807 121.223 -0.083 0.000 2.906 76 L HA 0.031 4.371 4.340 -0.000 0.000 0.255 76 L C 1.954 178.763 176.870 -0.100 0.000 1.166 76 L CA -0.097 54.724 54.840 -0.032 0.000 0.977 76 L CB 0.252 42.371 42.059 0.101 0.000 1.313 76 L HN 0.295 nan 8.230 nan 0.000 0.549 77 S N 0.422 116.062 115.700 -0.100 0.000 2.528 77 S HA -0.148 4.322 4.470 -0.000 0.000 0.244 77 S C 1.728 176.266 174.600 -0.104 0.000 0.982 77 S CA 1.003 59.157 58.200 -0.076 0.000 0.953 77 S CB -0.602 62.577 63.200 -0.036 0.000 0.754 77 S HN 0.644 nan 8.310 nan 0.000 0.529 78 I N -1.131 119.302 120.570 -0.228 0.000 2.494 78 I HA 0.098 4.268 4.170 -0.000 0.000 0.250 78 I C 0.721 176.714 176.117 -0.208 0.000 1.112 78 I CA 0.103 61.253 61.300 -0.250 0.000 1.438 78 I CB -0.798 36.989 38.000 -0.356 0.000 1.111 78 I HN 0.141 nan 8.210 nan 0.000 0.431 79 H N 1.499 120.562 119.070 -0.012 0.000 2.771 79 H HA 0.199 4.755 4.556 -0.000 0.000 0.364 79 H C 1.444 176.765 175.328 -0.012 0.000 1.133 79 H CA 0.597 56.636 56.048 -0.014 0.000 1.423 79 H CB 1.265 31.015 29.762 -0.022 0.000 1.425 79 H HN 0.289 nan 8.280 nan 0.000 0.606 80 L N 1.433 122.730 121.223 0.124 0.000 2.131 80 L HA 0.057 4.397 4.340 -0.000 0.000 0.206 80 L C 1.857 178.759 176.870 0.052 0.000 1.087 80 L CA 1.965 56.842 54.840 0.061 0.000 0.767 80 L CB -1.679 40.404 42.059 0.041 0.000 0.917 80 L HN 0.796 nan 8.230 nan 0.000 0.441 81 E N -0.128 120.105 120.200 0.055 0.000 2.368 81 E HA 0.626 4.976 4.350 -0.000 0.000 0.283 81 E C 1.580 178.197 176.600 0.028 0.000 1.476 81 E CA 0.520 56.933 56.400 0.021 0.000 1.786 81 E CB -0.631 29.061 29.700 -0.013 0.000 1.518 81 E HN 1.012 nan 8.360 nan 0.000 0.456 82 A N 0.649 123.501 122.820 0.053 0.000 1.835 82 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 82 A C 2.043 179.622 177.584 -0.009 0.000 1.199 82 A CA 1.632 53.696 52.037 0.046 0.000 0.615 82 A CB -0.178 18.842 19.000 0.034 0.000 0.838 82 A HN 0.587 nan 8.150 nan 0.000 0.444 83 E N -0.469 119.742 120.200 0.019 0.000 2.058 83 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 83 E C -0.445 176.223 176.600 0.114 0.000 0.997 83 E CA 1.638 58.084 56.400 0.077 0.000 0.801 83 E CB -1.050 28.733 29.700 0.139 0.000 0.746 83 E HN 0.460 nan 8.360 nan 0.000 0.450 84 P HA -0.143 nan 4.420 nan 0.000 0.217 84 P C 1.315 178.605 177.300 -0.017 0.000 1.150 84 P CA 1.048 64.175 63.100 0.045 0.000 0.832 84 P CB 0.029 31.731 31.700 0.004 0.000 0.787 85 L N -1.385 119.794 121.223 -0.074 0.000 2.093 85 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 85 L C 2.396 179.109 176.870 -0.261 0.000 1.085 85 L CA 1.407 56.166 54.840 -0.135 0.000 0.755 85 L CB -1.078 40.900 42.059 -0.134 0.000 0.904 85 L HN -0.028 nan 8.230 nan 0.000 0.435 86 A N -0.196 122.372 122.820 -0.420 0.000 1.845 86 A HA -0.237 4.083 4.320 -0.000 0.000 0.215 86 A C 1.888 179.015 177.584 -0.761 0.000 1.195 86 A CA 1.536 52.973 52.037 -1.000 0.000 0.616 86 A CB -1.143 17.181 19.000 -1.127 0.000 0.832 86 A HN 0.486 nan 8.150 nan 0.000 0.443 87 W N -0.280 120.798 121.300 -0.370 0.000 2.364 87 W HA -0.096 4.564 4.660 0.000 0.000 0.281 87 W C 2.522 178.912 176.519 -0.215 0.000 1.219 87 W CA 1.466 58.658 57.345 -0.256 0.000 1.220 87 W CB -0.052 29.305 29.460 -0.173 0.000 1.127 87 W HN 0.335 nan 8.180 nan 0.000 0.556 88 R N 0.605 121.097 120.500 -0.012 0.000 2.092 88 R HA -0.166 4.174 4.340 -0.000 0.000 0.231 88 R C 1.875 178.128 176.300 -0.079 0.000 1.119 88 R CA 1.613 57.694 56.100 -0.033 0.000 0.970 88 R CB -0.260 30.012 30.300 -0.047 0.000 0.864 88 R HN 0.272 nan 8.270 nan 0.000 0.440 89 Q N -0.060 119.653 119.800 -0.146 0.000 2.187 89 Q HA -0.048 4.292 4.340 -0.000 0.000 0.199 89 Q C 2.150 178.042 176.000 -0.181 0.000 0.957 89 Q CA 1.121 56.852 55.803 -0.119 0.000 0.857 89 Q CB 0.102 28.803 28.738 -0.061 0.000 0.929 89 Q HN 0.390 nan 8.270 nan 0.000 0.453 90 I N 0.757 121.138 120.570 -0.316 0.000 2.142 90 I HA -0.266 3.904 4.170 -0.000 0.000 0.240 90 I C 2.400 178.335 176.117 -0.303 0.000 1.078 90 I CA 1.189 62.160 61.300 -0.548 0.000 1.343 90 I CB -0.150 37.432 38.000 -0.698 0.000 1.046 90 I HN 0.185 nan 8.210 nan 0.000 0.405 91 E N 1.020 121.157 120.200 -0.105 0.000 2.130 91 E HA -0.310 4.040 4.350 -0.000 0.000 0.196 91 E C 2.075 178.652 176.600 -0.038 0.000 0.998 91 E CA 1.605 57.992 56.400 -0.023 0.000 0.806 91 E CB -0.192 29.520 29.700 0.020 0.000 0.738 91 E HN 0.417 nan 8.360 nan 0.000 0.459 92 Q N -0.230 119.537 119.800 -0.055 0.000 2.084 92 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 92 Q C 1.692 177.679 176.000 -0.022 0.000 0.978 92 Q CA 1.977 57.760 55.803 -0.034 0.000 0.844 92 Q CB -0.210 28.508 28.738 -0.034 0.000 0.898 92 Q HN 0.370 nan 8.270 nan 0.000 0.426 93 D N -0.268 120.106 120.400 -0.044 0.000 2.117 93 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 93 D C 1.733 178.064 176.300 0.051 0.000 0.982 93 D CA 0.951 54.961 54.000 0.016 0.000 0.828 93 D CB -0.110 40.723 40.800 0.056 0.000 0.967 93 D HN 0.297 nan 8.370 nan 0.000 0.464 94 L N -0.214 121.033 121.223 0.040 0.000 2.447 94 L HA -0.106 4.234 4.340 -0.000 0.000 0.225 94 L C 1.901 178.790 176.870 0.032 0.000 1.148 94 L CA 0.889 55.770 54.840 0.069 0.000 0.808 94 L CB -0.258 41.843 42.059 0.070 0.000 0.928 94 L HN 0.196 nan 8.230 nan 0.000 0.448 95 Q N -0.323 119.487 119.800 0.017 0.000 2.217 95 Q HA 0.060 4.400 4.340 -0.000 0.000 0.217 95 Q C 0.145 176.154 176.000 0.014 0.000 0.844 95 Q CA -0.400 55.408 55.803 0.009 0.000 0.957 95 Q CB 0.678 29.417 28.738 0.001 0.000 1.127 95 Q HN 0.399 nan 8.270 nan 0.000 0.503 96 R N 0.362 120.876 120.500 0.023 0.000 2.643 96 R HA 0.170 4.510 4.340 -0.000 0.000 0.270 96 R C -0.050 176.270 176.300 0.033 0.000 1.061 96 R CA -0.067 56.050 56.100 0.028 0.000 1.107 96 R CB 0.360 30.681 30.300 0.034 0.000 0.999 96 R HN -0.218 nan 8.270 nan 0.000 0.460 97 S N 2.383 118.106 115.700 0.038 0.000 2.422 97 S HA 0.146 4.616 4.470 -0.000 0.000 0.283 97 S C -0.265 174.379 174.600 0.073 0.000 1.163 97 S CA -0.394 57.834 58.200 0.047 0.000 1.054 97 S CB -0.440 62.788 63.200 0.048 0.000 0.967 97 S HN 0.752 nan 8.310 nan 0.000 0.499 98 S N 4.588 120.344 115.700 0.094 0.000 2.554 98 S HA 0.189 4.659 4.470 -0.000 0.000 0.290 98 S C -0.053 174.684 174.600 0.228 0.000 1.309 98 S CA -0.332 57.962 58.200 0.157 0.000 1.047 98 S CB 0.392 63.727 63.200 0.225 0.000 0.828 98 S HN 0.714 nan 8.310 nan 0.000 0.509 99 T N 2.917 117.587 114.554 0.194 0.000 3.223 99 T HA 0.271 4.621 4.350 -0.000 0.000 0.334 99 T C 0.730 175.456 174.700 0.044 0.000 0.940 99 T CA -0.580 61.636 62.100 0.192 0.000 1.272 99 T CB 0.187 69.132 68.868 0.129 0.000 0.982 99 T HN 0.578 nan 8.240 nan 0.000 0.512 100 L N 1.501 122.581 121.223 -0.237 0.000 2.549 100 L HA 0.145 4.485 4.340 -0.000 0.000 0.229 100 L C 0.588 177.536 176.870 0.130 0.000 1.158 100 L CA 0.651 55.372 54.840 -0.197 0.000 0.842 100 L CB -0.153 41.530 42.059 -0.627 0.000 0.952 100 L HN 0.528 nan 8.230 nan 0.000 0.452 101 I N 0.765 121.418 120.570 0.139 0.000 2.371 101 I HA 0.031 4.201 4.170 -0.000 0.000 0.290 101 I C 0.287 176.506 176.117 0.171 0.000 1.028 101 I CA -0.121 61.321 61.300 0.237 0.000 1.345 101 I CB 0.512 38.649 38.000 0.229 0.000 1.407 101 I HN 0.151 nan 8.210 nan 0.000 0.501 102 D N 4.584 125.101 120.400 0.194 0.000 2.720 102 D HA -0.179 4.461 4.640 -0.000 0.000 0.229 102 D C 0.111 176.455 176.300 0.074 0.000 1.198 102 D CA 0.868 54.977 54.000 0.180 0.000 0.639 102 D CB -0.369 40.548 40.800 0.195 0.000 1.003 102 D HN 0.738 nan 8.370 nan 0.000 0.411 103 A N 0.209 123.029 122.820 -0.000 0.000 2.587 103 A HA 0.719 5.039 4.320 -0.000 0.000 0.293 103 A C -2.670 174.851 177.584 -0.106 0.000 1.087 103 A CA -1.245 50.770 52.037 -0.037 0.000 0.692 103 A CB 2.063 21.070 19.000 0.012 0.000 1.291 103 A HN -0.063 nan 8.150 nan 0.000 0.407 104 P HA 0.200 nan 4.420 nan 0.000 0.271 104 P C 0.106 177.352 177.300 -0.091 0.000 1.216 104 P CA -0.021 62.996 63.100 -0.138 0.000 0.771 104 P CB 0.628 32.260 31.700 -0.114 0.000 0.864 105 I N 0.890 121.401 120.570 -0.098 0.000 3.783 105 I HA 0.041 4.211 4.170 -0.000 0.000 0.310 105 I C 1.423 177.440 176.117 -0.167 0.000 1.274 105 I CA 0.793 62.045 61.300 -0.080 0.000 1.294 105 I CB -1.066 36.913 38.000 -0.035 0.000 1.051 105 I HN 0.391 nan 8.210 nan 0.000 0.435 106 T N -2.253 112.164 114.554 -0.228 0.000 2.926 106 T HA 0.646 4.996 4.350 -0.000 0.000 0.289 106 T C -0.288 174.195 174.700 -0.362 0.000 1.054 106 T CA -0.724 61.120 62.100 -0.426 0.000 1.015 106 T CB 2.959 71.406 68.868 -0.700 0.000 1.167 106 T HN -0.019 nan 8.240 nan 0.000 0.526 107 S N -0.072 115.257 115.700 -0.618 0.000 2.540 107 S HA 0.536 5.006 4.470 -0.000 0.000 0.275 107 S C -1.861 172.249 174.600 -0.817 0.000 1.123 107 S CA -0.740 57.203 58.200 -0.427 0.000 0.907 107 S CB 0.835 63.931 63.200 -0.174 0.000 1.081 107 S HN 0.824 nan 8.310 nan 0.000 0.476 108 H N 3.234 122.272 119.070 -0.052 0.000 2.924 108 H HA 0.394 4.950 4.556 -0.000 0.000 0.333 108 H C -1.061 174.285 175.328 0.031 0.000 0.979 108 H CA -0.548 55.488 56.048 -0.019 0.000 1.326 108 H CB 1.525 31.300 29.762 0.022 0.000 1.600 108 H HN 0.580 nan 8.280 nan 0.000 0.520 109 Q N 2.012 121.880 119.800 0.112 0.000 2.337 109 Q HA 0.558 4.898 4.340 -0.000 0.000 0.270 109 Q C -0.810 175.102 176.000 -0.146 0.000 1.043 109 Q CA -0.891 54.883 55.803 -0.048 0.000 0.794 109 Q CB 3.484 32.204 28.738 -0.030 0.000 1.281 109 Q HN 0.288 nan 8.270 nan 0.000 0.446 110 V N 2.430 122.179 119.914 -0.276 0.000 2.680 110 V HA 0.510 4.630 4.120 -0.000 0.000 0.309 110 V C -1.315 174.531 176.094 -0.413 0.000 1.052 110 V CA -0.797 61.419 62.300 -0.139 0.000 0.908 110 V CB 1.241 33.150 31.823 0.144 0.000 1.001 110 V HN 0.657 nan 8.190 nan 0.000 0.431 111 Y N 2.495 122.845 120.300 0.082 0.000 2.373 111 Y HA 0.549 5.099 4.550 -0.000 0.000 0.336 111 Y C 0.225 176.117 175.900 -0.013 0.000 0.979 111 Y CA -0.653 57.424 58.100 -0.038 0.000 1.080 111 Y CB 1.809 40.196 38.460 -0.122 0.000 1.190 111 Y HN 0.506 nan 8.280 nan 0.000 0.446 112 R N 4.421 124.968 120.500 0.078 0.000 2.205 112 R HA 0.361 4.701 4.340 -0.000 0.000 0.342 112 R C -0.159 176.062 176.300 -0.132 0.000 1.058 112 R CA -0.009 56.036 56.100 -0.091 0.000 0.904 112 R CB 0.270 30.637 30.300 0.112 0.000 1.089 112 R HN 0.962 nan 8.270 nan 0.000 0.471 113 L N 1.991 123.093 121.223 -0.202 0.000 2.162 113 L HA 0.091 4.431 4.340 -0.000 0.000 0.205 113 L C 0.683 177.482 176.870 -0.118 0.000 1.086 113 L CA 0.548 55.319 54.840 -0.115 0.000 0.778 113 L CB -0.091 41.916 42.059 -0.086 0.000 0.928 113 L HN 0.676 nan 8.230 nan 0.000 0.446 114 S N -2.851 112.737 115.700 -0.187 0.000 2.611 114 S HA 0.121 4.591 4.470 -0.000 0.000 0.268 114 S C 0.731 175.245 174.600 -0.145 0.000 1.156 114 S CA -0.439 57.689 58.200 -0.120 0.000 0.817 114 S CB 0.596 63.724 63.200 -0.120 0.000 1.122 114 S HN 0.344 nan 8.310 nan 0.000 0.466 115 H N 0.381 119.440 119.070 -0.019 0.000 2.466 115 H HA -0.004 4.552 4.556 -0.000 0.000 0.297 115 H C 0.765 176.151 175.328 0.097 0.000 1.113 115 H CA 1.892 57.968 56.048 0.047 0.000 1.273 115 H CB -0.283 29.508 29.762 0.049 0.000 1.371 115 H HN 0.439 nan 8.280 nan 0.000 0.528 116 S N 0.483 115.873 115.700 -0.517 0.000 2.663 116 S HA 0.142 4.612 4.470 -0.000 0.000 0.243 116 S C -0.376 174.160 174.600 -0.106 0.000 1.009 116 S CA -0.419 57.627 58.200 -0.257 0.000 0.988 116 S CB 0.573 63.544 63.200 -0.383 0.000 0.896 116 S HN 0.323 nan 8.310 nan 0.000 0.502 117 E N 1.428 121.533 120.200 -0.157 0.000 2.241 117 E HA 0.440 4.790 4.350 -0.000 0.000 0.263 117 E C -1.323 175.105 176.600 -0.286 0.000 0.882 117 E CA -0.404 55.928 56.400 -0.114 0.000 0.769 117 E CB 1.468 31.104 29.700 -0.108 0.000 1.185 117 E HN 0.288 nan 8.360 nan 0.000 0.415 118 H N 0.581 119.633 119.070 -0.031 0.000 2.768 118 H HA 0.584 5.140 4.556 -0.000 0.000 0.371 118 H C -1.061 174.266 175.328 -0.001 0.000 1.151 118 H CA -0.735 55.306 56.048 -0.011 0.000 1.165 118 H CB 1.946 31.669 29.762 -0.066 0.000 1.722 118 H HN 0.201 nan 8.280 nan 0.000 0.543 119 L N 3.052 124.363 121.223 0.146 0.000 2.376 119 L HA 0.548 4.888 4.340 -0.000 0.000 0.275 119 L C -1.465 175.497 176.870 0.154 0.000 0.987 119 L CA -0.270 54.636 54.840 0.110 0.000 0.828 119 L CB 0.869 42.936 42.059 0.014 0.000 1.249 119 L HN 0.615 nan 8.230 nan 0.000 0.409 120 I N 5.132 125.776 120.570 0.124 0.000 2.378 120 I HA 0.315 4.485 4.170 -0.000 0.000 0.291 120 I C -1.404 174.839 176.117 0.210 0.000 0.992 120 I CA -0.718 60.673 61.300 0.151 0.000 1.154 120 I CB 1.564 39.642 38.000 0.130 0.000 1.315 120 I HN 0.553 nan 8.210 nan 0.000 0.448 121 Y N 5.583 125.916 120.300 0.055 0.000 2.341 121 Y HA 0.536 5.086 4.550 -0.000 0.000 0.338 121 Y C -0.747 175.149 175.900 -0.008 0.000 0.965 121 Y CA -0.557 57.555 58.100 0.020 0.000 1.108 121 Y CB 1.672 40.126 38.460 -0.010 0.000 1.180 121 Y HN 0.467 nan 8.280 nan 0.000 0.458 122 T N 7.712 121.948 114.554 -0.530 0.000 2.809 122 T HA 0.454 4.804 4.350 -0.000 0.000 0.284 122 T C -1.053 173.093 174.700 -0.924 0.000 0.992 122 T CA -0.804 60.902 62.100 -0.657 0.000 0.957 122 T CB 0.831 69.443 68.868 -0.427 0.000 0.942 122 T HN 0.627 nan 8.240 nan 0.000 0.439 123 R N 2.039 121.952 120.500 -0.978 0.000 2.561 123 R HA 0.805 5.145 4.340 -0.000 0.000 0.297 123 R C -1.728 174.204 176.300 -0.612 0.000 0.969 123 R CA -0.576 55.097 56.100 -0.712 0.000 0.879 123 R CB 1.461 31.432 30.300 -0.549 0.000 1.178 123 R HN 0.752 nan 8.270 nan 0.000 0.445 124 A N 3.015 125.556 122.820 -0.465 0.000 2.556 124 A HA 0.363 4.683 4.320 -0.000 0.000 0.294 124 A C -1.633 175.822 177.584 -0.215 0.000 1.091 124 A CA -0.768 51.029 52.037 -0.399 0.000 0.704 124 A CB 1.365 20.069 19.000 -0.493 0.000 1.300 124 A HN 0.838 nan 8.150 nan 0.000 0.406 125 H N 0.734 119.680 119.070 -0.207 0.000 2.511 125 H HA 0.204 4.760 4.556 -0.000 0.000 0.346 125 H C 0.777 175.993 175.328 -0.187 0.000 1.128 125 H CA 0.281 56.247 56.048 -0.136 0.000 1.342 125 H CB 0.793 30.502 29.762 -0.088 0.000 1.470 125 H HN 0.849 nan 8.280 nan 0.000 0.546 126 H N 4.551 123.445 119.070 -0.294 0.000 2.489 126 H HA -0.123 4.433 4.556 -0.000 0.000 0.295 126 H C 1.976 176.968 175.328 -0.561 0.000 1.082 126 H CA 1.201 56.987 56.048 -0.436 0.000 1.295 126 H CB 0.279 29.649 29.762 -0.652 0.000 1.380 126 H HN 0.665 nan 8.280 nan 0.000 0.548 127 I N 1.173 121.693 120.570 -0.083 0.000 3.083 127 I HA -0.173 3.997 4.170 -0.000 0.000 0.273 127 I C 1.499 177.606 176.117 -0.018 0.000 1.297 127 I CA 0.934 62.131 61.300 -0.172 0.000 1.452 127 I CB 0.116 38.016 38.000 -0.165 0.000 1.078 127 I HN 0.127 nan 8.210 nan 0.000 0.484 128 V N -2.499 117.409 119.914 -0.011 0.000 3.398 128 V HA 0.411 4.531 4.120 -0.000 0.000 0.298 128 V C -0.199 175.899 176.094 0.006 0.000 1.496 128 V CA -0.409 61.906 62.300 0.026 0.000 1.044 128 V CB 0.529 32.398 31.823 0.076 0.000 0.880 128 V HN 0.116 nan 8.190 nan 0.000 0.443 129 L N 2.524 123.691 121.223 -0.093 0.000 2.565 129 L HA 0.776 5.115 4.340 -0.000 0.000 0.261 129 L C -1.322 175.345 176.870 -0.338 0.000 0.932 129 L CA -0.078 54.684 54.840 -0.130 0.000 0.878 129 L CB 2.199 44.226 42.059 -0.053 0.000 1.333 129 L HN 0.466 nan 8.230 nan 0.000 0.409 130 D N 2.226 122.496 120.400 -0.216 0.000 2.627 130 D HA 0.534 5.174 4.640 -0.000 0.000 0.259 130 D C 1.010 177.265 176.300 -0.075 0.000 1.164 130 D CA 0.002 53.864 54.000 -0.230 0.000 1.087 130 D CB 0.334 41.149 40.800 0.025 0.000 1.217 130 D HN 0.509 nan 8.370 nan 0.000 0.630 131 G N -0.982 107.866 108.800 0.080 0.000 2.480 131 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.216 131 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.216 131 G C 1.338 176.354 174.900 0.193 0.000 1.200 131 G CA 1.070 46.285 45.100 0.191 0.000 0.782 131 G HN 0.529 nan 8.290 nan 0.000 0.554 132 Y N 1.938 122.316 120.300 0.130 0.000 2.151 132 Y HA -0.127 4.423 4.550 -0.000 0.000 0.284 132 Y C 2.868 178.693 175.900 -0.125 0.000 1.166 132 Y CA 1.792 59.873 58.100 -0.032 0.000 1.163 132 Y CB -0.432 38.062 38.460 0.058 0.000 0.974 132 Y HN 0.162 nan 8.280 nan 0.000 0.511 133 G N -0.277 108.575 108.800 0.086 0.000 2.440 133 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.218 133 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.218 133 G C 1.598 176.471 174.900 -0.045 0.000 1.154 133 G CA 1.148 46.236 45.100 -0.019 0.000 0.767 133 G HN 0.447 nan 8.290 nan 0.000 0.552 134 M N 0.991 120.557 119.600 -0.057 0.000 2.108 134 M HA -0.051 4.429 4.480 -0.000 0.000 0.261 134 M C 2.456 178.788 176.300 0.053 0.000 1.066 134 M CA 2.177 57.450 55.300 -0.045 0.000 1.107 134 M CB -0.379 32.076 32.600 -0.241 0.000 1.356 134 M HN 0.379 nan 8.290 nan 0.000 0.406 135 M N -0.925 118.611 119.600 -0.106 0.000 2.175 135 M HA -0.057 4.423 4.480 -0.000 0.000 0.264 135 M C 1.622 177.821 176.300 -0.168 0.000 1.063 135 M CA 1.900 57.087 55.300 -0.189 0.000 1.119 135 M CB -1.197 31.026 32.600 -0.628 0.000 1.377 135 M HN 0.319 nan 8.290 nan 0.000 0.415 136 L N -0.666 120.440 121.223 -0.195 0.000 2.046 136 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 136 L C 2.598 179.593 176.870 0.209 0.000 1.077 136 L CA 1.549 56.376 54.840 -0.022 0.000 0.747 136 L CB -0.871 41.161 42.059 -0.046 0.000 0.896 136 L HN 0.463 nan 8.230 nan 0.000 0.432 137 F N 1.151 121.133 119.950 0.052 0.000 2.134 137 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 137 F C 2.335 178.233 175.800 0.162 0.000 1.097 137 F CA 1.785 59.879 58.000 0.157 0.000 1.264 137 F CB -0.135 38.947 39.000 0.136 0.000 1.001 137 F HN 0.048 nan 8.300 nan 0.000 0.479 138 E N -0.292 119.927 120.200 0.033 0.000 2.072 138 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 138 E C 2.224 178.757 176.600 -0.112 0.000 0.985 138 E CA 1.172 57.543 56.400 -0.050 0.000 0.801 138 E CB -0.238 29.565 29.700 0.171 0.000 0.750 138 E HN 0.450 nan 8.360 nan 0.000 0.452 139 Q N 0.490 120.245 119.800 -0.076 0.000 2.084 139 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 139 Q C 2.213 178.124 176.000 -0.148 0.000 0.978 139 Q CA 1.129 56.868 55.803 -0.107 0.000 0.844 139 Q CB -0.287 28.398 28.738 -0.087 0.000 0.898 139 Q HN 0.021 nan 8.270 nan 0.000 0.426 140 R N 1.131 121.559 120.500 -0.121 0.000 2.081 140 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 140 R C 2.151 178.353 176.300 -0.164 0.000 1.131 140 R CA 0.923 56.901 56.100 -0.205 0.000 0.960 140 R CB -0.934 29.267 30.300 -0.165 0.000 0.856 140 R HN 0.268 nan 8.270 nan 0.000 0.436 141 L N 0.112 121.218 121.223 -0.195 0.000 2.012 141 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 141 L C 2.240 179.104 176.870 -0.010 0.000 1.073 141 L CA 2.482 57.260 54.840 -0.104 0.000 0.748 141 L CB -1.223 40.702 42.059 -0.224 0.000 0.891 141 L HN 0.311 nan 8.230 nan 0.000 0.431 142 S N -1.210 114.374 115.700 -0.193 0.000 2.356 142 S HA -0.269 4.201 4.470 -0.000 0.000 0.223 142 S C 1.977 176.467 174.600 -0.182 0.000 1.032 142 S CA 1.661 59.615 58.200 -0.410 0.000 1.005 142 S CB -0.300 62.586 63.200 -0.523 0.000 0.867 142 S HN 0.696 nan 8.310 nan 0.000 0.449 143 Q N -0.238 119.455 119.800 -0.179 0.000 2.045 143 Q HA -0.177 4.163 4.340 -0.000 0.000 0.206 143 Q C 2.290 178.209 176.000 -0.135 0.000 0.991 143 Q CA 2.038 57.727 55.803 -0.189 0.000 0.851 143 Q CB -0.389 28.171 28.738 -0.296 0.000 0.911 143 Q HN 0.653 nan 8.270 nan 0.000 0.418 144 H N -1.028 117.996 119.070 -0.077 0.000 2.319 144 H HA -0.179 4.376 4.556 -0.000 0.000 0.299 144 H C 1.899 177.229 175.328 0.004 0.000 1.092 144 H CA 1.679 57.699 56.048 -0.046 0.000 1.302 144 H CB -0.447 29.291 29.762 -0.040 0.000 1.373 144 H HN 0.364 nan 8.280 nan 0.000 0.497 145 Y N 1.883 122.242 120.300 0.097 0.000 2.181 145 Y HA -0.272 4.278 4.550 -0.000 0.000 0.288 145 Y C 2.801 178.723 175.900 0.035 0.000 1.146 145 Y CA 2.062 60.216 58.100 0.090 0.000 1.164 145 Y CB -0.045 38.544 38.460 0.215 0.000 0.982 145 Y HN 0.107 nan 8.280 nan 0.000 0.515 146 Q N -0.013 119.794 119.800 0.013 0.000 2.079 146 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 146 Q C 2.329 178.257 176.000 -0.120 0.000 0.974 146 Q CA 2.245 58.004 55.803 -0.073 0.000 0.840 146 Q CB -0.670 28.053 28.738 -0.025 0.000 0.898 146 Q HN 0.410 nan 8.270 nan 0.000 0.430 147 S N -0.098 115.551 115.700 -0.085 0.000 2.356 147 S HA -0.072 4.398 4.470 -0.000 0.000 0.223 147 S C 1.787 176.334 174.600 -0.089 0.000 1.032 147 S CA 1.291 59.448 58.200 -0.072 0.000 1.005 147 S CB -0.347 62.829 63.200 -0.040 0.000 0.867 147 S HN 0.417 nan 8.310 nan 0.000 0.449 148 L N 0.606 121.765 121.223 -0.108 0.000 2.046 148 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 148 L C 2.333 179.084 176.870 -0.198 0.000 1.077 148 L CA 0.777 55.536 54.840 -0.135 0.000 0.747 148 L CB -0.398 41.579 42.059 -0.137 0.000 0.896 148 L HN 0.277 nan 8.230 nan 0.000 0.432 149 L N -0.401 120.630 121.223 -0.319 0.000 2.083 149 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 149 L C 2.582 179.360 176.870 -0.154 0.000 1.083 149 L CA 2.001 56.663 54.840 -0.297 0.000 0.752 149 L CB -0.281 41.525 42.059 -0.421 0.000 0.899 149 L HN 0.347 nan 8.230 nan 0.000 0.433 150 S N -2.028 113.598 115.700 -0.123 0.000 2.548 150 S HA 0.315 4.784 4.470 -0.000 0.000 0.215 150 S C 1.613 176.176 174.600 -0.062 0.000 0.976 150 S CA 0.267 58.422 58.200 -0.075 0.000 0.908 150 S CB 0.240 63.405 63.200 -0.058 0.000 0.781 150 S HN 0.690 nan 8.310 nan 0.000 0.519 151 G N 1.138 109.896 108.800 -0.070 0.000 2.363 151 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.238 151 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.238 151 G C 0.112 174.985 174.900 -0.044 0.000 1.062 151 G CA 0.122 45.190 45.100 -0.053 0.000 0.629 151 G HN 0.629 nan 8.290 nan 0.000 0.514 152 Q N 0.884 120.657 119.800 -0.045 0.000 2.523 152 Q HA 0.319 4.659 4.340 -0.000 0.000 0.283 152 Q C 0.152 176.130 176.000 -0.037 0.000 1.140 152 Q CA 1.075 56.854 55.803 -0.040 0.000 0.981 152 Q CB 0.094 28.806 28.738 -0.043 0.000 1.310 152 Q HN 0.303 nan 8.270 nan 0.000 0.483 153 T N 2.792 117.325 114.554 -0.035 0.000 2.889 153 T HA 0.295 4.645 4.350 -0.000 0.000 0.291 153 T C -2.000 172.672 174.700 -0.046 0.000 0.995 153 T CA -1.126 60.956 62.100 -0.031 0.000 1.092 153 T CB 0.676 69.527 68.868 -0.028 0.000 0.954 153 T HN 0.444 nan 8.240 nan 0.000 0.506 154 P HA 0.174 nan 4.420 nan 0.000 0.274 154 P C 0.206 177.431 177.300 -0.125 0.000 1.231 154 P CA -0.452 62.585 63.100 -0.105 0.000 0.790 154 P CB 0.322 31.969 31.700 -0.089 0.000 0.951 155 T N -1.297 113.153 114.554 -0.174 0.000 2.698 155 T HA 0.416 4.766 4.350 -0.000 0.000 0.295 155 T C 0.626 175.226 174.700 -0.167 0.000 1.007 155 T CA -0.554 61.457 62.100 -0.148 0.000 0.980 155 T CB -0.127 68.650 68.868 -0.151 0.000 1.036 155 T HN 0.571 nan 8.240 nan 0.000 0.526 156 A N 0.671 123.413 122.820 -0.130 0.000 2.561 156 A HA 0.525 4.845 4.320 -0.000 0.000 0.234 156 A C 0.925 178.398 177.584 -0.184 0.000 1.055 156 A CA -0.135 51.831 52.037 -0.119 0.000 0.756 156 A CB -1.011 17.942 19.000 -0.077 0.000 0.986 156 A HN 1.435 nan 8.150 nan 0.000 0.505 157 A N 1.686 124.420 122.820 -0.143 0.000 2.313 157 A HA 0.604 4.924 4.320 -0.000 0.000 0.261 157 A C 0.014 177.533 177.584 -0.108 0.000 1.090 157 A CA -0.523 51.407 52.037 -0.179 0.000 0.807 157 A CB -0.063 18.902 19.000 -0.058 0.000 1.055 157 A HN 0.709 nan 8.150 nan 0.000 0.492 158 F N 1.361 121.295 119.950 -0.027 0.000 2.602 158 F HA 0.056 4.583 4.527 -0.000 0.000 0.367 158 F C 1.393 177.178 175.800 -0.025 0.000 1.126 158 F CA 0.151 58.133 58.000 -0.030 0.000 1.321 158 F CB 0.617 39.593 39.000 -0.041 0.000 1.094 158 F HN 0.418 nan 8.300 nan 0.000 0.594 159 K N 3.816 124.329 120.400 0.188 0.000 2.230 159 K HA 0.163 4.483 4.320 -0.000 0.000 0.253 159 K C -2.277 174.370 176.600 0.078 0.000 1.008 159 K CA -1.257 55.084 56.287 0.091 0.000 0.910 159 K CB -0.122 32.417 32.500 0.065 0.000 0.994 159 K HN 0.275 nan 8.250 nan 0.000 0.495 160 P HA 0.033 nan 4.420 nan 0.000 0.277 160 P C 0.290 177.618 177.300 0.048 0.000 1.240 160 P CA -0.249 62.860 63.100 0.016 0.000 0.798 160 P CB 0.426 32.106 31.700 -0.034 0.000 0.979 161 Y N 1.811 122.057 120.300 -0.090 0.000 2.256 161 Y HA -0.253 4.297 4.550 -0.000 0.000 0.288 161 Y C 2.562 178.471 175.900 0.016 0.000 1.155 161 Y CA 2.000 60.087 58.100 -0.021 0.000 1.203 161 Y CB -0.505 37.935 38.460 -0.032 0.000 0.980 161 Y HN 0.264 nan 8.280 nan 0.000 0.530 162 Q N 0.061 119.825 119.800 -0.060 0.000 2.152 162 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 162 Q C 2.321 178.246 176.000 -0.126 0.000 0.985 162 Q CA 2.255 57.987 55.803 -0.119 0.000 0.863 162 Q CB -0.631 28.033 28.738 -0.123 0.000 0.904 162 Q HN 0.437 nan 8.270 nan 0.000 0.422 163 S N -0.726 114.925 115.700 -0.081 0.000 2.368 163 S HA -0.154 4.315 4.470 -0.000 0.000 0.225 163 S C 1.472 176.026 174.600 -0.075 0.000 1.030 163 S CA 1.183 59.346 58.200 -0.061 0.000 0.999 163 S CB -0.558 62.630 63.200 -0.020 0.000 0.844 163 S HN 0.615 nan 8.310 nan 0.000 0.459 164 Y N 2.334 122.501 120.300 -0.221 0.000 2.133 164 Y HA -0.046 4.504 4.550 -0.000 0.000 0.287 164 Y C 1.899 177.635 175.900 -0.274 0.000 1.134 164 Y CA 1.152 59.102 58.100 -0.251 0.000 1.133 164 Y CB -0.685 37.574 38.460 -0.335 0.000 0.987 164 Y HN 0.117 nan 8.280 nan 0.000 0.502 165 L N 0.152 121.065 121.223 -0.516 0.000 2.021 165 L HA -0.315 4.025 4.340 -0.000 0.000 0.215 165 L C 2.420 179.093 176.870 -0.327 0.000 1.074 165 L CA 2.186 56.757 54.840 -0.448 0.000 0.760 165 L CB -0.652 41.263 42.059 -0.240 0.000 0.889 165 L HN 0.338 nan 8.230 nan 0.000 0.433 166 E N -0.406 119.658 120.200 -0.227 0.000 2.051 166 E HA -0.272 4.078 4.350 -0.000 0.000 0.192 166 E C 2.129 178.634 176.600 -0.158 0.000 0.991 166 E CA 1.350 57.658 56.400 -0.153 0.000 0.799 166 E CB -0.048 29.591 29.700 -0.102 0.000 0.748 166 E HN 0.422 nan 8.360 nan 0.000 0.449 167 E N 0.652 120.742 120.200 -0.184 0.000 2.077 167 E HA -0.278 4.072 4.350 -0.000 0.000 0.193 167 E C 2.001 178.500 176.600 -0.167 0.000 0.989 167 E CA 1.305 57.620 56.400 -0.140 0.000 0.800 167 E CB 0.088 29.721 29.700 -0.112 0.000 0.746 167 E HN 0.054 nan 8.360 nan 0.000 0.452 168 E N 0.622 120.601 120.200 -0.368 0.000 2.051 168 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 168 E C 1.802 178.327 176.600 -0.125 0.000 0.991 168 E CA 1.667 57.881 56.400 -0.311 0.000 0.799 168 E CB -0.441 28.886 29.700 -0.622 0.000 0.748 168 E HN 0.329 nan 8.360 nan 0.000 0.449 169 A N 0.721 123.443 122.820 -0.165 0.000 1.948 169 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 169 A C 2.426 179.953 177.584 -0.096 0.000 1.177 169 A CA 2.342 54.307 52.037 -0.120 0.000 0.636 169 A CB -1.035 17.900 19.000 -0.108 0.000 0.815 169 A HN 0.412 nan 8.150 nan 0.000 0.449 170 A N -1.557 121.226 122.820 -0.062 0.000 1.897 170 A HA -0.028 4.292 4.320 -0.000 0.000 0.215 170 A C 2.127 179.704 177.584 -0.012 0.000 1.181 170 A CA 1.531 53.550 52.037 -0.029 0.000 0.620 170 A CB -0.778 18.219 19.000 -0.005 0.000 0.821 170 A HN 0.799 nan 8.150 nan 0.000 0.443 171 Y N 0.753 121.009 120.300 -0.074 0.000 2.181 171 Y HA -0.130 4.420 4.550 -0.000 0.000 0.288 171 Y C 1.765 177.615 175.900 -0.083 0.000 1.146 171 Y CA 1.673 59.755 58.100 -0.030 0.000 1.164 171 Y CB -0.341 38.109 38.460 -0.017 0.000 0.982 171 Y HN 0.188 nan 8.280 nan 0.000 0.515 172 L N -0.620 120.362 121.223 -0.402 0.000 2.353 172 L HA -0.191 4.149 4.340 -0.000 0.000 0.220 172 L C 1.858 178.219 176.870 -0.848 0.000 1.133 172 L CA 1.698 56.047 54.840 -0.818 0.000 0.798 172 L CB -0.570 41.188 42.059 -0.501 0.000 0.922 172 L HN 0.259 nan 8.230 nan 0.000 0.445 173 T N -1.440 112.880 114.554 -0.390 0.000 3.022 173 T HA 0.045 4.395 4.350 -0.000 0.000 0.250 173 T C 1.077 175.792 174.700 0.025 0.000 1.060 173 T CA 0.252 62.270 62.100 -0.135 0.000 1.013 173 T CB 0.178 69.009 68.868 -0.061 0.000 0.982 173 T HN 0.418 nan 8.240 nan 0.000 0.508 174 S N 0.069 115.744 115.700 -0.041 0.000 2.634 174 S HA 0.192 4.662 4.470 -0.000 0.000 0.261 174 S C 0.832 175.574 174.600 0.237 0.000 1.271 174 S CA -0.249 58.020 58.200 0.114 0.000 0.985 174 S CB 0.551 63.813 63.200 0.103 0.000 0.968 174 S HN 0.296 nan 8.310 nan 0.000 0.568 175 H N 0.206 119.410 119.070 0.223 0.000 2.389 175 H HA 0.079 4.635 4.556 -0.000 0.000 0.299 175 H C 2.355 177.837 175.328 0.256 0.000 1.081 175 H CA 1.872 58.090 56.048 0.282 0.000 1.345 175 H CB -0.113 29.752 29.762 0.171 0.000 1.393 175 H HN 0.586 nan 8.280 nan 0.000 0.520 176 R N -0.252 120.423 120.500 0.292 0.000 2.096 176 R HA -0.260 4.080 4.340 -0.000 0.000 0.240 176 R C 1.914 178.322 176.300 0.180 0.000 1.139 176 R CA 1.888 58.130 56.100 0.238 0.000 0.952 176 R CB -0.579 29.893 30.300 0.286 0.000 0.854 176 R HN 0.406 nan 8.270 nan 0.000 0.436 177 Y N 0.122 120.296 120.300 -0.210 0.000 2.069 177 Y HA -0.318 4.232 4.550 -0.000 0.000 0.278 177 Y C 2.048 177.777 175.900 -0.286 0.000 1.175 177 Y CA 2.057 59.882 58.100 -0.457 0.000 1.134 177 Y CB -0.501 37.407 38.460 -0.919 0.000 0.965 177 Y HN 0.203 nan 8.280 nan 0.000 0.498 178 W N 0.749 122.098 121.300 0.081 0.000 2.402 178 W HA -0.166 4.493 4.660 -0.000 0.000 0.286 178 W C 2.274 178.778 176.519 -0.024 0.000 1.221 178 W CA 1.679 59.020 57.345 -0.007 0.000 1.257 178 W CB -0.653 28.832 29.460 0.042 0.000 1.120 178 W HN 0.388 nan 8.180 nan 0.000 0.551 179 Q N -0.017 119.898 119.800 0.191 0.000 2.084 179 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 179 Q C 1.645 177.712 176.000 0.112 0.000 0.978 179 Q CA 1.492 57.393 55.803 0.163 0.000 0.844 179 Q CB -0.352 28.497 28.738 0.185 0.000 0.898 179 Q HN 0.101 nan 8.270 nan 0.000 0.426 180 D N 0.680 121.124 120.400 0.073 0.000 2.144 180 D HA -0.148 4.492 4.640 -0.000 0.000 0.199 180 D C 1.672 177.759 176.300 -0.355 0.000 0.984 180 D CA 1.075 55.110 54.000 0.058 0.000 0.834 180 D CB -0.093 40.829 40.800 0.205 0.000 0.955 180 D HN 0.176 nan 8.370 nan 0.000 0.465 181 K N 0.718 120.702 120.400 -0.693 0.000 2.026 181 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 181 K C 2.120 178.576 176.600 -0.240 0.000 1.048 181 K CA 1.209 57.044 56.287 -0.753 0.000 0.929 181 K CB 0.001 32.200 32.500 -0.502 0.000 0.713 181 K HN 0.013 nan 8.250 nan 0.000 0.439 182 Q N -0.325 119.418 119.800 -0.094 0.000 2.050 182 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 182 Q C 1.963 177.904 176.000 -0.099 0.000 0.980 182 Q CA 1.855 57.638 55.803 -0.032 0.000 0.840 182 Q CB -0.244 28.512 28.738 0.029 0.000 0.898 182 Q HN 0.403 nan 8.270 nan 0.000 0.424 183 F N -0.238 119.525 119.950 -0.313 0.000 2.025 183 F HA -0.274 4.253 4.527 -0.000 0.000 0.297 183 F C 1.379 176.852 175.800 -0.544 0.000 1.132 183 F CA 2.137 59.797 58.000 -0.566 0.000 1.191 183 F CB -0.693 37.646 39.000 -1.102 0.000 0.963 183 F HN 0.182 nan 8.300 nan 0.000 0.481 184 W N 0.750 121.914 121.300 -0.226 0.000 2.387 184 W HA -0.157 4.503 4.660 -0.000 0.000 0.272 184 W C 2.643 179.069 176.519 -0.155 0.000 1.224 184 W CA 1.390 58.618 57.345 -0.196 0.000 1.210 184 W CB -0.609 28.843 29.460 -0.013 0.000 1.125 184 W HN 0.243 nan 8.180 nan 0.000 0.572 185 Q N -0.088 119.692 119.800 -0.032 0.000 2.137 185 Q HA -0.057 4.283 4.340 -0.000 0.000 0.198 185 Q C 2.375 178.336 176.000 -0.064 0.000 0.960 185 Q CA 1.613 57.416 55.803 -0.001 0.000 0.847 185 Q CB -0.466 28.273 28.738 0.002 0.000 0.915 185 Q HN 0.308 nan 8.270 nan 0.000 0.448 186 G N -0.270 108.425 108.800 -0.175 0.000 2.404 186 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.214 186 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.214 186 G C 1.139 175.931 174.900 -0.180 0.000 1.189 186 G CA 0.594 45.588 45.100 -0.176 0.000 0.789 186 G HN 0.405 nan 8.290 nan 0.000 0.533 187 Y N 1.381 121.352 120.300 -0.548 0.000 2.102 187 Y HA -0.134 4.416 4.550 -0.000 0.000 0.280 187 Y C 2.549 178.383 175.900 -0.110 0.000 1.178 187 Y CA 1.470 59.288 58.100 -0.470 0.000 1.146 187 Y CB -0.253 37.706 38.460 -0.835 0.000 0.968 187 Y HN 0.089 nan 8.280 nan 0.000 0.504 188 L N -0.631 120.605 121.223 0.022 0.000 2.395 188 L HA -0.093 4.247 4.340 -0.000 0.000 0.218 188 L C 2.512 179.403 176.870 0.035 0.000 1.130 188 L CA 0.892 55.763 54.840 0.052 0.000 0.826 188 L CB -0.437 41.673 42.059 0.085 0.000 0.941 188 L HN 0.150 nan 8.230 nan 0.000 0.451 189 R N 0.863 121.358 120.500 -0.008 0.000 2.062 189 R HA -0.064 4.276 4.340 -0.000 0.000 0.226 189 R C 1.188 177.470 176.300 -0.030 0.000 1.125 189 R CA 0.757 56.853 56.100 -0.007 0.000 0.966 189 R CB 0.183 30.473 30.300 -0.017 0.000 0.861 189 R HN 0.274 nan 8.270 nan 0.000 0.433 190 E N 0.325 120.482 120.200 -0.072 0.000 2.379 190 E HA 0.131 4.481 4.350 -0.000 0.000 0.209 190 E C -0.936 175.580 176.600 -0.141 0.000 1.284 190 E CA -0.143 56.198 56.400 -0.099 0.000 1.333 190 E CB 0.561 30.192 29.700 -0.115 0.000 1.307 190 E HN 0.300 nan 8.360 nan 0.000 0.441 191 A N 0.825 123.593 122.820 -0.088 0.000 2.586 191 A HA 0.502 4.822 4.320 -0.000 0.000 0.290 191 A C -2.782 174.810 177.584 0.014 0.000 1.086 191 A CA -1.375 50.591 52.037 -0.119 0.000 0.665 191 A CB 0.702 19.558 19.000 -0.241 0.000 1.279 191 A HN -0.034 nan 8.150 nan 0.000 0.423 192 P HA 0.258 nan 4.420 nan 0.000 0.268 192 P C -0.780 176.707 177.300 0.312 0.000 1.208 192 P CA 0.110 63.258 63.100 0.080 0.000 0.777 192 P CB 0.263 31.942 31.700 -0.035 0.000 0.875 193 D N 0.774 121.314 120.400 0.232 0.000 2.419 193 D HA 0.058 4.698 4.640 -0.000 0.000 0.236 193 D C 0.386 176.876 176.300 0.316 0.000 1.165 193 D CA 0.420 54.559 54.000 0.232 0.000 0.882 193 D CB 0.226 41.125 40.800 0.165 0.000 1.201 193 D HN 0.180 nan 8.370 nan 0.000 0.443 194 L N 0.803 122.108 121.223 0.136 0.000 2.399 194 L HA 0.283 4.623 4.340 -0.000 0.000 0.265 194 L C 0.868 177.844 176.870 0.177 0.000 1.089 194 L CA -0.518 54.301 54.840 -0.036 0.000 0.802 194 L CB 1.144 42.889 42.059 -0.525 0.000 1.180 194 L HN 0.218 nan 8.230 nan 0.000 0.454 195 T N 2.065 116.778 114.554 0.265 0.000 2.889 195 T HA 0.456 4.806 4.350 -0.000 0.000 0.291 195 T C -0.344 174.559 174.700 0.338 0.000 0.995 195 T CA -0.438 61.839 62.100 0.295 0.000 1.092 195 T CB 1.097 70.178 68.868 0.355 0.000 0.954 195 T HN 0.072 nan 8.240 nan 0.000 0.506 196 L N 2.442 123.799 121.223 0.225 0.000 2.322 196 L HA 0.365 4.704 4.340 -0.000 0.000 0.279 196 L C 0.816 177.726 176.870 0.066 0.000 1.036 196 L CA -0.204 54.743 54.840 0.177 0.000 0.807 196 L CB 1.236 43.358 42.059 0.105 0.000 1.226 196 L HN 0.661 nan 8.230 nan 0.000 0.433 197 T N 1.625 116.216 114.554 0.061 0.000 2.871 197 T HA 0.019 4.369 4.350 -0.000 0.000 0.296 197 T C 0.630 175.289 174.700 -0.069 0.000 0.998 197 T CA 0.102 62.188 62.100 -0.024 0.000 1.162 197 T CB 0.140 69.015 68.868 0.012 0.000 0.947 197 T HN 0.685 nan 8.240 nan 0.000 0.536 198 S N 2.284 117.889 115.700 -0.158 0.000 2.554 198 S HA 0.115 4.585 4.470 -0.000 0.000 0.290 198 S C 1.518 176.124 174.600 0.009 0.000 1.309 198 S CA -0.217 57.933 58.200 -0.085 0.000 1.047 198 S CB 0.200 63.343 63.200 -0.095 0.000 0.828 198 S HN 0.822 nan 8.310 nan 0.000 0.509 199 A N 3.093 125.919 122.820 0.010 0.000 2.167 199 A HA 0.105 4.425 4.320 -0.000 0.000 0.214 199 A C 1.942 179.552 177.584 0.044 0.000 1.151 199 A CA 1.177 53.231 52.037 0.029 0.000 0.735 199 A CB -0.769 18.239 19.000 0.013 0.000 0.802 199 A HN 1.059 nan 8.150 nan 0.000 0.467 200 T N -4.206 110.375 114.554 0.046 0.000 3.086 200 T HA 0.164 4.514 4.350 -0.000 0.000 0.250 200 T C 0.330 175.072 174.700 0.069 0.000 1.074 200 T CA -0.317 61.807 62.100 0.042 0.000 0.988 200 T CB -0.557 68.322 68.868 0.018 0.000 0.988 200 T HN 0.277 nan 8.240 nan 0.000 0.530 201 Y N 3.355 123.638 120.300 -0.029 0.000 2.569 201 Y HA 0.330 4.880 4.550 -0.000 0.000 0.332 201 Y C -0.178 175.713 175.900 -0.015 0.000 1.120 201 Y CA -1.174 56.909 58.100 -0.030 0.000 1.416 201 Y CB 0.279 38.719 38.460 -0.034 0.000 1.210 201 Y HN 0.067 nan 8.280 nan 0.000 0.528 202 D N 8.965 128.982 120.400 -0.638 0.000 2.441 202 D HA 0.266 4.906 4.640 -0.000 0.000 0.231 202 D C -2.062 173.689 176.300 -0.915 0.000 1.073 202 D CA -2.461 51.226 54.000 -0.521 0.000 0.850 202 D CB 1.903 42.549 40.800 -0.256 0.000 1.062 202 D HN 0.325 nan 8.370 nan 0.000 0.524 203 P HA -0.228 nan 4.420 nan 0.000 0.218 203 P C 1.279 178.241 177.300 -0.564 0.000 1.152 203 P CA 1.587 64.265 63.100 -0.705 0.000 0.857 203 P CB 0.122 31.426 31.700 -0.660 0.000 0.787 204 Q N -0.630 118.815 119.800 -0.590 0.000 2.230 204 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 204 Q C 1.723 177.580 176.000 -0.239 0.000 0.963 204 Q CA 0.965 56.547 55.803 -0.368 0.000 0.866 204 Q CB -1.013 27.549 28.738 -0.294 0.000 0.931 204 Q HN 0.264 nan 8.270 nan 0.000 0.452 205 L N 2.114 123.184 121.223 -0.256 0.000 2.650 205 L HA 0.090 4.430 4.340 -0.000 0.000 0.235 205 L C 1.047 177.858 176.870 -0.099 0.000 1.149 205 L CA -0.378 54.370 54.840 -0.154 0.000 0.887 205 L CB -0.172 41.797 42.059 -0.150 0.000 1.021 205 L HN 0.175 nan 8.230 nan 0.000 0.441 206 S N 0.188 115.813 115.700 -0.124 0.000 2.550 206 S HA -0.151 4.319 4.470 -0.000 0.000 0.285 206 S C -0.047 174.581 174.600 0.046 0.000 1.326 206 S CA 0.267 58.459 58.200 -0.012 0.000 1.037 206 S CB 0.076 63.257 63.200 -0.032 0.000 0.838 206 S HN 0.524 nan 8.310 nan 0.000 0.519 207 H N 1.498 120.539 119.070 -0.050 0.000 2.941 207 H HA 0.504 5.060 4.556 -0.000 0.000 0.291 207 H C -0.488 174.778 175.328 -0.103 0.000 1.361 207 H CA -0.123 55.883 56.048 -0.070 0.000 1.606 207 H CB -0.012 29.716 29.762 -0.058 0.000 1.848 207 H HN 0.804 nan 8.280 nan 0.000 0.601 208 A N 3.425 126.204 122.820 -0.069 0.000 2.366 208 A HA 0.545 4.865 4.320 -0.000 0.000 0.272 208 A C -0.178 177.298 177.584 -0.181 0.000 1.135 208 A CA -0.131 51.836 52.037 -0.116 0.000 0.804 208 A CB 0.223 19.153 19.000 -0.116 0.000 1.064 208 A HN 0.539 nan 8.150 nan 0.000 0.499 209 V N 0.651 120.375 119.914 -0.317 0.000 2.680 209 V HA 0.907 5.026 4.120 -0.000 0.000 0.309 209 V C -0.029 175.811 176.094 -0.423 0.000 1.052 209 V CA -0.263 61.760 62.300 -0.462 0.000 0.908 209 V CB 1.170 32.434 31.823 -0.932 0.000 1.001 209 V HN 1.052 nan 8.190 nan 0.000 0.431 210 S N 3.258 118.909 115.700 -0.082 0.000 2.697 210 S HA 0.957 5.427 4.470 -0.000 0.000 0.289 210 S C -1.396 173.429 174.600 0.374 0.000 1.149 210 S CA -0.616 57.681 58.200 0.163 0.000 0.850 210 S CB 1.896 65.136 63.200 0.068 0.000 1.151 210 S HN 1.636 nan 8.310 nan 0.000 0.491 211 L N 1.360 122.775 121.223 0.321 0.000 2.830 211 L HA 0.498 4.838 4.340 -0.000 0.000 0.259 211 L C -1.047 175.936 176.870 0.187 0.000 0.926 211 L CA -0.146 54.849 54.840 0.259 0.000 0.993 211 L CB 1.579 43.812 42.059 0.289 0.000 1.589 211 L HN 0.722 nan 8.230 nan 0.000 0.460 212 S N 2.422 118.210 115.700 0.146 0.000 2.707 212 S HA 0.702 5.172 4.470 -0.000 0.000 0.276 212 S C -1.479 173.237 174.600 0.193 0.000 1.179 212 S CA -0.273 58.004 58.200 0.127 0.000 0.992 212 S CB 1.445 64.692 63.200 0.078 0.000 1.030 212 S HN 0.600 nan 8.310 nan 0.000 0.554 213 Y N 0.674 120.977 120.300 0.005 0.000 2.265 213 Y HA 0.228 4.778 4.550 -0.000 0.000 0.324 213 Y C -0.825 175.060 175.900 -0.024 0.000 1.197 213 Y CA -0.483 57.617 58.100 -0.000 0.000 1.318 213 Y CB -0.224 38.241 38.460 0.008 0.000 1.223 213 Y HN 0.602 nan 8.280 nan 0.000 0.419 214 T N 6.268 120.526 114.554 -0.492 0.000 2.916 214 T HA 0.394 4.744 4.350 -0.000 0.000 0.303 214 T C 0.076 174.294 174.700 -0.803 0.000 1.025 214 T CA 0.031 61.847 62.100 -0.474 0.000 1.142 214 T CB 0.435 69.145 68.868 -0.263 0.000 0.947 214 T HN 0.500 nan 8.240 nan 0.000 0.544 215 L N 3.900 124.804 121.223 -0.531 0.000 2.292 215 L HA 0.335 4.675 4.340 -0.000 0.000 0.284 215 L C 0.864 177.570 176.870 -0.274 0.000 1.065 215 L CA -1.144 53.428 54.840 -0.448 0.000 0.806 215 L CB 0.345 42.179 42.059 -0.375 0.000 1.175 215 L HN 0.694 nan 8.230 nan 0.000 0.431 216 N N 0.978 119.564 118.700 -0.189 0.000 2.416 216 N HA -0.022 4.718 4.740 -0.000 0.000 0.246 216 N C 0.725 176.180 175.510 -0.091 0.000 1.260 216 N CA 0.064 53.050 53.050 -0.107 0.000 0.897 216 N CB 0.535 38.996 38.487 -0.043 0.000 1.110 216 N HN 0.548 nan 8.380 nan 0.000 0.439 217 S N 0.314 115.977 115.700 -0.062 0.000 2.374 217 S HA -0.310 4.159 4.470 -0.000 0.000 0.227 217 S C 2.260 176.856 174.600 -0.006 0.000 1.037 217 S CA 1.959 60.136 58.200 -0.040 0.000 1.024 217 S CB -1.157 62.035 63.200 -0.014 0.000 0.861 217 S HN 0.832 nan 8.310 nan 0.000 0.456 218 Q N 0.880 120.683 119.800 0.006 0.000 2.181 218 Q HA 0.044 4.384 4.340 -0.000 0.000 0.205 218 Q C 2.507 178.527 176.000 0.032 0.000 0.980 218 Q CA 1.892 57.717 55.803 0.037 0.000 0.862 218 Q CB -1.822 26.944 28.738 0.046 0.000 0.905 218 Q HN 0.732 nan 8.270 nan 0.000 0.429 219 L N 0.588 121.797 121.223 -0.023 0.000 2.023 219 L HA -0.114 4.226 4.340 -0.000 0.000 0.205 219 L C 2.289 179.088 176.870 -0.118 0.000 1.073 219 L CA 2.298 57.094 54.840 -0.073 0.000 0.745 219 L CB -1.743 40.245 42.059 -0.119 0.000 0.900 219 L HN 0.772 nan 8.230 nan 0.000 0.435 220 N N -1.408 117.203 118.700 -0.148 0.000 2.091 220 N HA -0.288 4.452 4.740 -0.000 0.000 0.193 220 N C 1.917 177.329 175.510 -0.164 0.000 1.021 220 N CA 1.400 54.324 53.050 -0.210 0.000 0.862 220 N CB -0.345 38.008 38.487 -0.223 0.000 1.018 220 N HN 0.768 nan 8.380 nan 0.000 0.429 221 H N 1.292 120.273 119.070 -0.149 0.000 2.321 221 H HA -0.067 4.489 4.556 -0.000 0.000 0.300 221 H C 2.241 177.491 175.328 -0.130 0.000 1.087 221 H CA 1.066 57.047 56.048 -0.110 0.000 1.319 221 H CB -0.248 29.487 29.762 -0.044 0.000 1.379 221 H HN 0.145 nan 8.280 nan 0.000 0.501 222 L N 0.950 122.190 121.223 0.029 0.000 2.042 222 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 222 L C 2.652 179.427 176.870 -0.159 0.000 1.076 222 L CA 1.286 56.018 54.840 -0.180 0.000 0.749 222 L CB -1.051 40.808 42.059 -0.333 0.000 0.893 222 L HN 0.271 nan 8.230 nan 0.000 0.432 223 L N -1.101 120.040 121.223 -0.137 0.000 1.990 223 L HA -0.284 4.056 4.340 -0.000 0.000 0.213 223 L C 2.573 179.391 176.870 -0.086 0.000 1.072 223 L CA 2.114 56.890 54.840 -0.106 0.000 0.755 223 L CB -0.392 41.573 42.059 -0.155 0.000 0.889 223 L HN 0.369 nan 8.230 nan 0.000 0.432 224 L N 0.285 121.419 121.223 -0.148 0.000 2.012 224 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 224 L C 3.151 179.972 176.870 -0.082 0.000 1.073 224 L CA 2.063 56.822 54.840 -0.136 0.000 0.748 224 L CB -0.910 40.997 42.059 -0.253 0.000 0.891 224 L HN 0.286 nan 8.230 nan 0.000 0.431 225 K N 0.294 120.651 120.400 -0.073 0.000 2.097 225 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 225 K C 1.839 178.425 176.600 -0.024 0.000 1.049 225 K CA 1.648 57.926 56.287 -0.015 0.000 0.933 225 K CB -1.097 31.439 32.500 0.060 0.000 0.717 225 K HN 0.308 nan 8.250 nan 0.000 0.442 226 L N -0.328 120.863 121.223 -0.053 0.000 2.056 226 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 226 L C 3.167 180.038 176.870 0.002 0.000 1.078 226 L CA 1.070 55.891 54.840 -0.031 0.000 0.749 226 L CB -0.501 41.534 42.059 -0.040 0.000 0.901 226 L HN 0.474 nan 8.230 nan 0.000 0.433 227 A N 0.525 123.352 122.820 0.012 0.000 1.845 227 A HA -0.235 4.085 4.320 -0.000 0.000 0.215 227 A C 2.048 179.639 177.584 0.013 0.000 1.195 227 A CA 2.019 54.073 52.037 0.028 0.000 0.616 227 A CB -0.696 18.349 19.000 0.074 0.000 0.832 227 A HN 0.425 nan 8.150 nan 0.000 0.443 228 N N 0.577 119.282 118.700 0.008 0.000 2.061 228 N HA -0.191 4.549 4.740 -0.000 0.000 0.193 228 N C 1.876 177.390 175.510 0.006 0.000 1.030 228 N CA 1.827 54.879 53.050 0.004 0.000 0.856 228 N CB -0.741 37.746 38.487 -0.001 0.000 1.023 228 N HN 0.496 nan 8.380 nan 0.000 0.424 229 A N 1.239 124.065 122.820 0.010 0.000 1.940 229 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 229 A C 1.629 179.221 177.584 0.012 0.000 1.176 229 A CA 1.345 53.391 52.037 0.015 0.000 0.631 229 A CB -0.322 18.691 19.000 0.021 0.000 0.814 229 A HN 0.313 nan 8.150 nan 0.000 0.446 230 N N -0.666 118.040 118.700 0.009 0.000 2.268 230 N HA 0.215 4.955 4.740 -0.000 0.000 0.204 230 N C 0.776 176.281 175.510 -0.009 0.000 1.124 230 N CA 0.998 54.051 53.050 0.005 0.000 0.838 230 N CB 0.302 38.796 38.487 0.011 0.000 0.994 230 N HN 0.715 nan 8.380 nan 0.000 0.489 231 Q N 0.216 120.010 119.800 -0.010 0.000 2.453 231 Q HA -0.190 4.150 4.340 -0.000 0.000 0.294 231 Q C 0.158 176.134 176.000 -0.041 0.000 1.295 231 Q CA 1.534 57.323 55.803 -0.022 0.000 0.853 231 Q CB -2.880 25.845 28.738 -0.022 0.000 1.193 231 Q HN 0.760 nan 8.270 nan 0.000 0.461 232 I N -4.532 116.015 120.570 -0.039 0.000 3.042 232 I HA 0.941 5.111 4.170 -0.000 0.000 0.310 232 I C 0.694 176.773 176.117 -0.063 0.000 1.117 232 I CA -1.208 60.052 61.300 -0.067 0.000 1.003 232 I CB 2.333 40.295 38.000 -0.062 0.000 1.228 232 I HN 0.341 nan 8.210 nan 0.000 0.443 233 G N 2.588 111.317 108.800 -0.118 0.000 2.483 233 G HA2 0.089 4.049 3.960 -0.000 0.000 0.248 233 G HA3 0.089 4.049 3.960 -0.000 0.000 0.248 233 G C 0.504 175.337 174.900 -0.112 0.000 1.248 233 G CA -0.281 44.736 45.100 -0.139 0.000 0.838 233 G HN 1.050 nan 8.290 nan 0.000 0.566 234 W N 1.410 122.644 121.300 -0.110 0.000 2.350 234 W HA -0.040 4.619 4.660 -0.000 0.000 0.289 234 W C -1.640 174.795 176.519 -0.141 0.000 1.215 234 W CA 1.071 58.342 57.345 -0.124 0.000 1.236 234 W CB -1.785 27.591 29.460 -0.140 0.000 1.130 234 W HN 0.416 nan 8.180 nan 0.000 0.541 235 P HA -0.132 nan 4.420 nan 0.000 0.216 235 P C 1.294 178.404 177.300 -0.317 0.000 1.153 235 P CA 2.381 65.043 63.100 -0.730 0.000 0.848 235 P CB -0.125 31.019 31.700 -0.926 0.000 0.787 236 D N -0.944 119.302 120.400 -0.256 0.000 2.178 236 D HA -0.072 4.568 4.640 -0.000 0.000 0.202 236 D C 1.981 178.246 176.300 -0.059 0.000 0.974 236 D CA 1.253 55.167 54.000 -0.144 0.000 0.841 236 D CB -0.705 40.011 40.800 -0.139 0.000 0.953 236 D HN 0.030 nan 8.370 nan 0.000 0.478 237 A N 0.795 123.598 122.820 -0.030 0.000 1.877 237 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 237 A C 2.139 179.763 177.584 0.067 0.000 1.186 237 A CA 0.983 53.044 52.037 0.040 0.000 0.620 237 A CB -0.726 18.316 19.000 0.069 0.000 0.822 237 A HN 0.220 nan 8.150 nan 0.000 0.443 238 L N -0.284 120.957 121.223 0.030 0.000 2.093 238 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 238 L C 2.444 179.318 176.870 0.007 0.000 1.085 238 L CA 1.574 56.402 54.840 -0.020 0.000 0.755 238 L CB -0.448 41.506 42.059 -0.175 0.000 0.904 238 L HN 0.164 nan 8.230 nan 0.000 0.435 239 V N -0.341 119.562 119.914 -0.017 0.000 2.343 239 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 239 V C 2.724 178.872 176.094 0.091 0.000 1.051 239 V CA 1.559 63.874 62.300 0.026 0.000 1.036 239 V CB -1.087 30.724 31.823 -0.021 0.000 0.654 239 V HN 0.585 nan 8.190 nan 0.000 0.451 240 A N -0.147 122.736 122.820 0.104 0.000 1.865 240 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 240 A C 2.178 179.939 177.584 0.295 0.000 1.191 240 A CA 1.929 54.082 52.037 0.193 0.000 0.623 240 A CB -0.644 18.463 19.000 0.178 0.000 0.826 240 A HN 0.500 nan 8.150 nan 0.000 0.444 241 L N -0.723 120.662 121.223 0.271 0.000 2.127 241 L HA -0.278 4.062 4.340 -0.000 0.000 0.211 241 L C 2.637 179.632 176.870 0.209 0.000 1.089 241 L CA 1.238 56.285 54.840 0.343 0.000 0.757 241 L CB -0.740 41.594 42.059 0.459 0.000 0.899 241 L HN 0.525 nan 8.230 nan 0.000 0.434 242 C N -0.653 118.758 119.300 0.185 0.000 2.486 242 C HA -0.005 4.455 4.460 -0.000 0.000 0.279 242 C C 3.137 178.111 174.990 -0.027 0.000 1.302 242 C CA 0.426 59.490 59.018 0.077 0.000 1.720 242 C CB -0.885 26.938 27.740 0.139 0.000 2.030 242 C HN 0.611 nan 8.230 nan 0.000 0.490 243 A N 0.463 123.332 122.820 0.080 0.000 1.883 243 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 243 A C 2.043 179.669 177.584 0.070 0.000 1.186 243 A CA 1.796 53.895 52.037 0.104 0.000 0.624 243 A CB -0.723 18.402 19.000 0.207 0.000 0.822 243 A HN 0.473 nan 8.150 nan 0.000 0.444 244 L N -1.528 119.745 121.223 0.085 0.000 2.017 244 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 244 L C 2.387 179.140 176.870 -0.194 0.000 1.073 244 L CA 2.459 57.224 54.840 -0.126 0.000 0.745 244 L CB -0.981 40.995 42.059 -0.139 0.000 0.894 244 L HN 0.582 nan 8.230 nan 0.000 0.432 245 Y N -0.438 119.491 120.300 -0.618 0.000 2.165 245 Y HA -0.247 4.303 4.550 -0.000 0.000 0.286 245 Y C 2.138 177.734 175.900 -0.507 0.000 1.155 245 Y CA 1.882 59.368 58.100 -1.024 0.000 1.164 245 Y CB -0.492 36.996 38.460 -1.619 0.000 0.978 245 Y HN 0.198 nan 8.280 nan 0.000 0.513 246 L N 0.214 121.038 121.223 -0.666 0.000 2.141 246 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 246 L C 2.471 179.135 176.870 -0.342 0.000 1.094 246 L CA 1.625 56.129 54.840 -0.561 0.000 0.763 246 L CB -0.572 41.327 42.059 -0.266 0.000 0.908 246 L HN 0.232 nan 8.230 nan 0.000 0.437 247 E N 0.316 120.375 120.200 -0.235 0.000 2.171 247 E HA -0.249 4.101 4.350 -0.000 0.000 0.197 247 E C 2.119 178.628 176.600 -0.151 0.000 0.997 247 E CA 1.899 58.215 56.400 -0.140 0.000 0.810 247 E CB 0.079 29.720 29.700 -0.099 0.000 0.738 247 E HN 0.527 nan 8.360 nan 0.000 0.467 248 S N -1.143 114.430 115.700 -0.211 0.000 2.502 248 S HA 0.275 4.745 4.470 -0.000 0.000 0.228 248 S C 2.146 176.611 174.600 -0.224 0.000 1.061 248 S CA 0.194 58.294 58.200 -0.165 0.000 0.935 248 S CB 0.065 63.207 63.200 -0.096 0.000 0.809 248 S HN 0.301 nan 8.310 nan 0.000 0.510 249 A N 1.043 123.607 122.820 -0.428 0.000 2.066 249 A HA 0.231 4.550 4.320 -0.000 0.000 0.218 249 A C 1.343 178.783 177.584 -0.239 0.000 1.157 249 A CA 1.161 52.932 52.037 -0.442 0.000 0.670 249 A CB -0.279 18.116 19.000 -1.008 0.000 0.804 249 A HN 0.623 nan 8.150 nan 0.000 0.453 250 E N -1.088 119.004 120.200 -0.180 0.000 3.844 250 E HA 0.111 4.461 4.350 -0.000 0.000 0.260 250 E C -2.138 174.454 176.600 -0.014 0.000 1.163 250 E CA -0.872 55.518 56.400 -0.016 0.000 1.261 250 E CB 0.901 30.683 29.700 0.136 0.000 1.261 250 E HN 0.246 nan 8.360 nan 0.000 0.399 251 P HA -0.142 nan 4.420 nan 0.000 0.223 251 P C -0.021 177.276 177.300 -0.005 0.000 1.144 251 P CA 0.874 63.952 63.100 -0.036 0.000 0.783 251 P CB 0.285 31.958 31.700 -0.045 0.000 0.771 252 D N 0.158 120.575 120.400 0.028 0.000 2.538 252 D HA 0.308 4.948 4.640 -0.000 0.000 0.234 252 D C 0.332 176.682 176.300 0.084 0.000 1.191 252 D CA 0.150 54.178 54.000 0.047 0.000 0.828 252 D CB 0.155 40.990 40.800 0.058 0.000 0.981 252 D HN 0.159 nan 8.370 nan 0.000 0.490 253 A N 1.713 124.581 122.820 0.080 0.000 2.569 253 A HA 0.408 4.728 4.320 -0.000 0.000 0.282 253 A C -1.892 175.725 177.584 0.056 0.000 1.165 253 A CA -0.956 51.160 52.037 0.131 0.000 0.747 253 A CB 1.744 20.864 19.000 0.200 0.000 1.215 253 A HN -0.153 nan 8.150 nan 0.000 0.431 254 P HA -0.006 nan 4.420 nan 0.000 0.224 254 P C -0.012 177.117 177.300 -0.284 0.000 1.157 254 P CA 0.697 63.657 63.100 -0.232 0.000 0.799 254 P CB 0.175 31.620 31.700 -0.426 0.000 0.809 255 W N 0.343 121.636 121.300 -0.011 0.000 2.359 255 W HA 0.549 5.209 4.660 -0.000 0.000 0.344 255 W C 0.191 176.696 176.519 -0.023 0.000 1.170 255 W CA -0.688 56.611 57.345 -0.078 0.000 1.296 255 W CB 0.942 30.297 29.460 -0.176 0.000 1.197 255 W HN -0.273 nan 8.180 nan 0.000 0.618 256 L N 2.585 123.926 121.223 0.195 0.000 2.446 256 L HA 0.373 4.713 4.340 -0.000 0.000 0.268 256 L C -1.644 175.253 176.870 0.045 0.000 0.975 256 L CA -0.754 54.179 54.840 0.154 0.000 0.848 256 L CB 0.674 42.800 42.059 0.111 0.000 1.225 256 L HN 0.599 nan 8.230 nan 0.000 0.410 257 W N 6.015 127.333 121.300 0.030 0.000 2.287 257 W HA 0.506 5.165 4.660 -0.000 0.000 0.313 257 W C -0.314 175.859 176.519 -0.576 0.000 1.267 257 W CA -0.028 57.240 57.345 -0.130 0.000 1.201 257 W CB 0.846 30.307 29.460 0.001 0.000 1.196 257 W HN 0.268 nan 8.180 nan 0.000 0.536 258 L N 5.847 126.966 121.223 -0.174 0.000 2.341 258 L HA 0.599 4.939 4.340 -0.000 0.000 0.267 258 L C -2.177 174.594 176.870 -0.165 0.000 1.009 258 L CA -2.343 52.291 54.840 -0.344 0.000 0.819 258 L CB 2.569 44.498 42.059 -0.215 0.000 1.323 258 L HN 0.109 nan 8.230 nan 0.000 0.425 259 P HA 0.354 nan 4.420 nan 0.000 0.303 259 P C -1.403 175.793 177.300 -0.174 0.000 1.350 259 P CA -0.456 62.710 63.100 0.110 0.000 0.880 259 P CB 1.060 32.946 31.700 0.309 0.000 1.018 260 F N 3.007 123.053 119.950 0.160 0.000 2.375 260 F HA 0.285 4.812 4.527 -0.000 0.000 0.361 260 F C 1.975 177.828 175.800 0.089 0.000 1.117 260 F CA -0.771 57.297 58.000 0.115 0.000 1.037 260 F CB 1.313 40.347 39.000 0.056 0.000 1.192 260 F HN 0.094 nan 8.300 nan 0.000 0.452 261 M N 1.118 120.823 119.600 0.175 0.000 2.082 261 M HA -0.255 4.225 4.480 -0.000 0.000 0.258 261 M C 0.893 177.201 176.300 0.013 0.000 1.069 261 M CA 1.323 56.674 55.300 0.085 0.000 1.102 261 M CB -0.746 31.852 32.600 -0.003 0.000 1.336 261 M HN 0.669 nan 8.290 nan 0.000 0.404 262 N N 0.247 118.956 118.700 0.014 0.000 2.783 262 N HA -0.163 4.577 4.740 -0.000 0.000 0.247 262 N C 0.531 175.997 175.510 -0.073 0.000 1.089 262 N CA 0.470 53.499 53.050 -0.035 0.000 0.690 262 N CB -0.354 38.132 38.487 -0.002 0.000 0.991 262 N HN 0.432 nan 8.380 nan 0.000 0.552 263 R N -1.247 119.192 120.500 -0.101 0.000 2.144 263 R HA 0.101 4.441 4.340 -0.000 0.000 0.195 263 R C 0.781 177.076 176.300 -0.007 0.000 1.077 263 R CA -0.039 55.945 56.100 -0.195 0.000 1.120 263 R CB -0.324 29.561 30.300 -0.691 0.000 1.060 263 R HN 0.264 nan 8.270 nan 0.000 0.520 264 W N 2.850 124.122 121.300 -0.046 0.000 2.314 264 W HA 0.106 4.766 4.660 -0.000 0.000 0.339 264 W C 1.117 177.667 176.519 0.051 0.000 1.293 264 W CA 2.469 59.849 57.345 0.059 0.000 1.288 264 W CB 0.278 29.845 29.460 0.178 0.000 1.186 264 W HN 0.666 nan 8.180 nan 0.000 0.566 265 G N 2.767 111.021 108.800 -0.910 0.000 2.189 265 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.267 265 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.267 265 G C 0.109 174.816 174.900 -0.322 0.000 0.975 265 G CA 0.508 45.125 45.100 -0.804 0.000 0.644 265 G HN 1.075 nan 8.290 nan 0.000 0.537 266 S N -1.487 114.101 115.700 -0.186 0.000 2.638 266 S HA 0.624 5.094 4.470 -0.000 0.000 0.302 266 S C 1.691 176.266 174.600 -0.042 0.000 1.096 266 S CA 0.441 58.594 58.200 -0.078 0.000 0.953 266 S CB 1.959 65.152 63.200 -0.013 0.000 1.107 266 S HN 1.395 nan 8.310 nan 0.000 0.503 267 V N 1.556 121.475 119.914 0.009 0.000 2.720 267 V HA 0.058 4.178 4.120 -0.000 0.000 0.256 267 V C 2.572 178.685 176.094 0.031 0.000 1.082 267 V CA 1.886 64.202 62.300 0.026 0.000 1.101 267 V CB -2.018 29.834 31.823 0.049 0.000 0.693 267 V HN 0.927 nan 8.190 nan 0.000 0.479 268 A N 0.876 123.715 122.820 0.030 0.000 2.084 268 A HA -0.024 4.296 4.320 -0.000 0.000 0.221 268 A C 2.382 179.931 177.584 -0.059 0.000 1.161 268 A CA 2.013 53.989 52.037 -0.102 0.000 0.653 268 A CB -0.826 18.058 19.000 -0.193 0.000 0.802 268 A HN 0.958 nan 8.150 nan 0.000 0.457 269 A N -0.492 122.320 122.820 -0.012 0.000 2.121 269 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 269 A C 1.300 178.972 177.584 0.147 0.000 1.154 269 A CA 1.290 53.371 52.037 0.074 0.000 0.679 269 A CB -0.229 18.802 19.000 0.052 0.000 0.795 269 A HN 0.542 nan 8.150 nan 0.000 0.458 270 N N -0.590 118.171 118.700 0.102 0.000 2.299 270 N HA 0.237 4.977 4.740 -0.000 0.000 0.246 270 N C -1.099 174.492 175.510 0.135 0.000 1.254 270 N CA 0.235 53.396 53.050 0.185 0.000 0.879 270 N CB 1.633 40.209 38.487 0.147 0.000 1.214 270 N HN 0.084 nan 8.380 nan 0.000 0.510 271 V N 2.268 122.161 119.914 -0.035 0.000 2.445 271 V HA 0.334 4.454 4.120 -0.000 0.000 0.283 271 V C -2.453 173.477 176.094 -0.274 0.000 1.014 271 V CA -1.536 60.675 62.300 -0.149 0.000 0.852 271 V CB 2.485 34.282 31.823 -0.043 0.000 1.021 271 V HN -0.110 nan 8.190 nan 0.000 0.435 272 P HA 0.536 nan 4.420 nan 0.000 0.269 272 P C 0.454 177.596 177.300 -0.263 0.000 1.209 272 P CA 0.632 63.473 63.100 -0.432 0.000 0.776 272 P CB 1.015 32.308 31.700 -0.678 0.000 0.876 273 G N 1.033 109.740 108.800 -0.156 0.000 2.351 273 G HA2 0.265 4.225 3.960 -0.000 0.000 0.279 273 G HA3 0.265 4.225 3.960 -0.000 0.000 0.279 273 G C -2.155 172.720 174.900 -0.042 0.000 1.297 273 G CA -0.722 44.329 45.100 -0.082 0.000 0.886 273 G HN 0.567 nan 8.290 nan 0.000 0.493 274 L N 0.416 121.647 121.223 0.014 0.000 2.264 274 L HA 0.863 5.203 4.340 -0.000 0.000 0.287 274 L C 0.465 177.385 176.870 0.083 0.000 1.039 274 L CA -0.163 54.712 54.840 0.058 0.000 0.829 274 L CB 0.888 43.010 42.059 0.104 0.000 1.211 274 L HN 0.579 nan 8.230 nan 0.000 0.427 275 M N 4.077 123.716 119.600 0.064 0.000 2.163 275 M HA 0.271 4.751 4.480 -0.000 0.000 0.356 275 M C 0.014 176.388 176.300 0.124 0.000 0.863 275 M CA -0.014 55.326 55.300 0.068 0.000 1.113 275 M CB 0.657 33.213 32.600 -0.073 0.000 2.038 275 M HN 0.253 nan 8.290 nan 0.000 0.691 276 V N 2.683 122.698 119.914 0.167 0.000 2.694 276 V HA 0.130 4.250 4.120 -0.000 0.000 0.306 276 V C -0.465 175.774 176.094 0.242 0.000 1.054 276 V CA 0.417 62.846 62.300 0.216 0.000 1.161 276 V CB 0.480 32.464 31.823 0.270 0.000 0.916 276 V HN 0.492 nan 8.190 nan 0.000 0.490 277 N N 3.716 122.572 118.700 0.261 0.000 2.296 277 N HA 0.405 5.145 4.740 -0.000 0.000 0.294 277 N C -1.040 174.690 175.510 0.365 0.000 1.033 277 N CA -0.272 52.929 53.050 0.251 0.000 0.839 277 N CB 2.070 40.655 38.487 0.164 0.000 1.395 277 N HN 0.607 nan 8.380 nan 0.000 0.479 278 S N 2.920 118.836 115.700 0.360 0.000 2.452 278 S HA 0.542 5.012 4.470 -0.000 0.000 0.284 278 S C -0.358 174.564 174.600 0.537 0.000 1.171 278 S CA -0.571 57.939 58.200 0.516 0.000 1.064 278 S CB 0.075 63.596 63.200 0.535 0.000 0.967 278 S HN 0.390 nan 8.310 nan 0.000 0.484 279 L N 5.103 126.649 121.223 0.538 0.000 2.370 279 L HA 0.582 4.922 4.340 -0.000 0.000 0.266 279 L C -2.424 174.429 176.870 -0.028 0.000 1.002 279 L CA -2.546 52.413 54.840 0.197 0.000 0.818 279 L CB 2.600 44.639 42.059 -0.033 0.000 1.325 279 L HN 0.353 nan 8.230 nan 0.000 0.418 280 P HA 0.194 nan 4.420 nan 0.000 0.293 280 P C -1.181 176.151 177.300 0.053 0.000 1.300 280 P CA -0.473 62.029 63.100 -0.996 0.000 0.792 280 P CB 1.898 32.440 31.700 -1.930 0.000 0.925 281 L N 5.366 126.703 121.223 0.190 0.000 2.282 281 L HA 0.418 4.758 4.340 -0.000 0.000 0.288 281 L C -0.794 176.314 176.870 0.396 0.000 1.033 281 L CA -0.898 54.181 54.840 0.398 0.000 0.807 281 L CB 0.871 43.076 42.059 0.243 0.000 1.209 281 L HN 0.194 nan 8.230 nan 0.000 0.423 282 L N 5.828 127.224 121.223 0.289 0.000 2.313 282 L HA 0.405 4.745 4.340 -0.000 0.000 0.282 282 L C 0.226 176.989 176.870 -0.179 0.000 1.092 282 L CA 0.139 54.760 54.840 -0.365 0.000 0.831 282 L CB 0.130 41.697 42.059 -0.820 0.000 1.159 282 L HN 0.615 nan 8.230 nan 0.000 0.442 283 R N 5.708 126.093 120.500 -0.192 0.000 2.522 283 R HA 0.212 4.552 4.340 -0.000 0.000 0.284 283 R C -0.671 175.573 176.300 -0.093 0.000 1.032 283 R CA -0.294 55.756 56.100 -0.083 0.000 1.049 283 R CB 0.211 30.483 30.300 -0.047 0.000 0.956 283 R HN 0.628 nan 8.270 nan 0.000 0.422 284 L N 1.491 122.676 121.223 -0.064 0.000 2.395 284 L HA 0.120 4.460 4.340 -0.000 0.000 0.269 284 L C 1.085 178.020 176.870 0.109 0.000 1.133 284 L CA -0.194 54.604 54.840 -0.070 0.000 0.812 284 L CB 1.294 43.207 42.059 -0.243 0.000 1.125 284 L HN 0.606 nan 8.230 nan 0.000 0.452 285 S N 1.272 117.019 115.700 0.078 0.000 2.564 285 S HA 0.274 4.744 4.470 -0.000 0.000 0.278 285 S C 0.853 175.596 174.600 0.239 0.000 1.333 285 S CA -0.011 58.256 58.200 0.112 0.000 1.048 285 S CB 1.367 64.587 63.200 0.033 0.000 0.900 285 S HN 0.705 nan 8.310 nan 0.000 0.505 286 A N 4.149 127.056 122.820 0.146 0.000 2.218 286 A HA 0.198 4.518 4.320 -0.000 0.000 0.209 286 A C 0.865 178.472 177.584 0.039 0.000 1.168 286 A CA 0.015 52.082 52.037 0.050 0.000 0.804 286 A CB -0.118 18.784 19.000 -0.163 0.000 0.834 286 A HN 0.791 nan 8.150 nan 0.000 0.482 287 Q N 0.369 120.193 119.800 0.040 0.000 2.421 287 Q HA 0.138 4.478 4.340 -0.000 0.000 0.255 287 Q C -0.179 175.844 176.000 0.037 0.000 1.013 287 Q CA 0.083 55.900 55.803 0.023 0.000 0.895 287 Q CB 0.153 28.898 28.738 0.012 0.000 1.271 287 Q HN 0.448 nan 8.270 nan 0.000 0.460 288 Q N -0.705 119.111 119.800 0.026 0.000 2.416 288 Q HA -0.169 4.171 4.340 -0.000 0.000 0.319 288 Q C -0.876 175.150 176.000 0.043 0.000 1.318 288 Q CA 1.094 56.913 55.803 0.028 0.000 0.915 288 Q CB -2.193 26.558 28.738 0.020 0.000 1.184 288 Q HN 0.736 nan 8.270 nan 0.000 0.444 289 T N -1.173 113.414 114.554 0.056 0.000 2.942 289 T HA 0.410 4.759 4.350 -0.000 0.000 0.327 289 T C -0.119 174.628 174.700 0.078 0.000 1.360 289 T CA -0.239 61.910 62.100 0.081 0.000 1.055 289 T CB 1.800 70.756 68.868 0.147 0.000 1.261 289 T HN 0.272 nan 8.240 nan 0.000 0.485 290 S N 1.470 117.216 115.700 0.077 0.000 2.617 290 S HA 0.410 4.880 4.470 -0.000 0.000 0.269 290 S C 1.370 176.031 174.600 0.100 0.000 1.292 290 S CA -0.777 57.464 58.200 0.068 0.000 1.010 290 S CB 0.626 63.861 63.200 0.057 0.000 0.944 290 S HN 0.632 nan 8.310 nan 0.000 0.536 291 L N 2.784 124.054 121.223 0.078 0.000 2.012 291 L HA 0.113 4.453 4.340 -0.000 0.000 0.210 291 L C 2.357 179.310 176.870 0.139 0.000 1.073 291 L CA 2.606 57.504 54.840 0.097 0.000 0.748 291 L CB -1.599 40.495 42.059 0.057 0.000 0.891 291 L HN 0.983 nan 8.230 nan 0.000 0.431 292 G N -0.751 108.106 108.800 0.095 0.000 2.446 292 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.217 292 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.217 292 G C 1.547 176.499 174.900 0.087 0.000 1.168 292 G CA 0.900 46.049 45.100 0.081 0.000 0.771 292 G HN 0.618 nan 8.290 nan 0.000 0.551 293 N N -1.028 117.725 118.700 0.089 0.000 2.223 293 N HA -0.154 4.586 4.740 -0.000 0.000 0.185 293 N C 1.956 177.516 175.510 0.083 0.000 1.016 293 N CA 0.842 53.935 53.050 0.072 0.000 0.863 293 N CB -0.160 38.366 38.487 0.066 0.000 0.983 293 N HN 0.434 nan 8.380 nan 0.000 0.429 294 Y N 1.570 121.884 120.300 0.024 0.000 2.200 294 Y HA -0.072 4.478 4.550 0.000 0.000 0.290 294 Y C 2.149 178.067 175.900 0.029 0.000 1.137 294 Y CA 1.259 59.376 58.100 0.028 0.000 1.163 294 Y CB -0.197 38.287 38.460 0.040 0.000 0.988 294 Y HN 0.029 nan 8.280 nan 0.000 0.518 295 L N 0.058 121.388 121.223 0.178 0.000 1.994 295 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 295 L C 2.806 179.677 176.870 0.002 0.000 1.071 295 L CA 1.874 56.774 54.840 0.100 0.000 0.745 295 L CB -1.250 40.875 42.059 0.111 0.000 0.892 295 L HN 0.192 nan 8.230 nan 0.000 0.431 296 K N 0.220 120.623 120.400 0.004 0.000 2.009 296 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 296 K C 1.905 178.475 176.600 -0.049 0.000 1.049 296 K CA 1.891 58.166 56.287 -0.019 0.000 0.929 296 K CB -1.087 31.410 32.500 -0.005 0.000 0.714 296 K HN 0.465 nan 8.250 nan 0.000 0.440 297 Q N -0.012 119.744 119.800 -0.073 0.000 2.291 297 Q HA -0.026 4.314 4.340 -0.000 0.000 0.205 297 Q C 2.468 178.385 176.000 -0.138 0.000 0.970 297 Q CA 1.313 57.058 55.803 -0.097 0.000 0.876 297 Q CB 0.087 28.763 28.738 -0.103 0.000 0.935 297 Q HN 0.610 nan 8.270 nan 0.000 0.455 298 S N -0.020 115.562 115.700 -0.197 0.000 2.357 298 S HA -0.074 4.396 4.470 -0.000 0.000 0.221 298 S C 1.926 176.478 174.600 -0.080 0.000 1.031 298 S CA 0.988 59.075 58.200 -0.188 0.000 0.982 298 S CB -0.439 62.621 63.200 -0.233 0.000 0.853 298 S HN 0.627 nan 8.310 nan 0.000 0.458 299 G N 0.992 109.752 108.800 -0.066 0.000 2.469 299 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.219 299 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.219 299 G C 1.628 176.500 174.900 -0.045 0.000 1.150 299 G CA 1.571 46.640 45.100 -0.052 0.000 0.763 299 G HN 0.636 nan 8.290 nan 0.000 0.561 300 Q N 0.167 119.940 119.800 -0.045 0.000 2.124 300 Q HA 0.268 4.608 4.340 -0.000 0.000 0.202 300 Q C 2.815 178.807 176.000 -0.014 0.000 0.977 300 Q CA 2.305 58.088 55.803 -0.033 0.000 0.850 300 Q CB -0.787 27.932 28.738 -0.032 0.000 0.901 300 Q HN 0.753 nan 8.270 nan 0.000 0.429 301 A N 0.402 123.217 122.820 -0.008 0.000 1.872 301 A HA 0.036 4.356 4.320 -0.000 0.000 0.214 301 A C 2.371 179.994 177.584 0.065 0.000 1.187 301 A CA 1.332 53.386 52.037 0.028 0.000 0.614 301 A CB -0.322 18.695 19.000 0.028 0.000 0.826 301 A HN 0.618 nan 8.150 nan 0.000 0.442 302 I N -0.172 120.443 120.570 0.075 0.000 2.118 302 I HA -0.349 3.821 4.170 -0.000 0.000 0.241 302 I C 3.244 179.474 176.117 0.189 0.000 1.070 302 I CA 1.781 63.178 61.300 0.161 0.000 1.327 302 I CB -0.526 37.527 38.000 0.088 0.000 1.034 302 I HN 0.459 nan 8.210 nan 0.000 0.405 303 R N 0.267 120.810 120.500 0.071 0.000 2.105 303 R HA -0.212 4.128 4.340 -0.000 0.000 0.239 303 R C 2.307 178.642 176.300 0.058 0.000 1.135 303 R CA 2.041 58.166 56.100 0.041 0.000 0.967 303 R CB -1.919 28.348 30.300 -0.055 0.000 0.861 303 R HN 0.503 nan 8.270 nan 0.000 0.442 304 S N 0.155 115.862 115.700 0.013 0.000 2.383 304 S HA -0.033 4.437 4.470 -0.000 0.000 0.227 304 S C 2.155 176.668 174.600 -0.146 0.000 1.026 304 S CA 1.349 59.513 58.200 -0.061 0.000 0.981 304 S CB -0.249 62.933 63.200 -0.029 0.000 0.818 304 S HN 0.577 nan 8.310 nan 0.000 0.472 305 L N -0.339 120.849 121.223 -0.059 0.000 2.093 305 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 305 L C 2.407 179.148 176.870 -0.214 0.000 1.085 305 L CA 1.584 56.354 54.840 -0.116 0.000 0.755 305 L CB -0.785 41.324 42.059 0.084 0.000 0.904 305 L HN 0.373 nan 8.230 nan 0.000 0.435 306 Y N 1.001 121.247 120.300 -0.090 0.000 2.053 306 Y HA -0.361 4.189 4.550 -0.000 0.000 0.277 306 Y C 2.508 178.330 175.900 -0.130 0.000 1.159 306 Y CA 2.024 60.123 58.100 -0.001 0.000 1.125 306 Y CB -0.432 38.095 38.460 0.112 0.000 0.969 306 Y HN 0.041 nan 8.280 nan 0.000 0.492 307 L N 0.040 121.227 121.223 -0.061 0.000 2.089 307 L HA -0.291 4.049 4.340 -0.000 0.000 0.213 307 L C 1.366 177.908 176.870 -0.547 0.000 1.079 307 L CA 2.356 57.010 54.840 -0.310 0.000 0.758 307 L CB -0.845 40.953 42.059 -0.436 0.000 0.891 307 L HN 0.410 nan 8.230 nan 0.000 0.433 308 H N -1.669 117.208 119.070 -0.321 0.000 2.520 308 H HA 0.344 4.900 4.556 -0.000 0.000 0.284 308 H C 1.924 177.333 175.328 0.135 0.000 1.037 308 H CA 0.445 56.404 56.048 -0.148 0.000 1.168 308 H CB -0.089 29.337 29.762 -0.561 0.000 1.497 308 H HN 0.340 nan 8.280 nan 0.000 0.547 309 G N 0.654 109.401 108.800 -0.089 0.000 2.498 309 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.219 309 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.219 309 G C 1.678 176.501 174.900 -0.127 0.000 1.119 309 G CA 0.245 45.206 45.100 -0.231 0.000 0.766 309 G HN 0.340 nan 8.290 nan 0.000 0.552 310 R N -1.130 119.291 120.500 -0.131 0.000 2.276 310 R HA 0.053 4.392 4.340 -0.000 0.000 0.203 310 R C 0.058 176.320 176.300 -0.064 0.000 1.017 310 R CA -0.371 55.592 56.100 -0.229 0.000 1.010 310 R CB -0.244 29.684 30.300 -0.621 0.000 0.900 310 R HN 0.321 nan 8.270 nan 0.000 0.469 311 Y N 2.141 122.448 120.300 0.011 0.000 2.436 311 Y HA 0.107 4.657 4.550 -0.000 0.000 0.336 311 Y C -0.144 175.708 175.900 -0.081 0.000 1.049 311 Y CA -0.512 57.634 58.100 0.076 0.000 1.294 311 Y CB 0.405 38.940 38.460 0.125 0.000 1.179 311 Y HN -0.134 nan 8.280 nan 0.000 0.520 312 R N 6.029 126.311 120.500 -0.364 0.000 2.449 312 R HA -0.028 4.312 4.340 -0.000 0.000 0.296 312 R C 1.228 177.403 176.300 -0.208 0.000 1.047 312 R CA 0.049 56.015 56.100 -0.225 0.000 1.018 312 R CB 0.563 30.770 30.300 -0.155 0.000 0.962 312 R HN 0.930 nan 8.270 nan 0.000 0.428 313 I N 3.608 124.121 120.570 -0.095 0.000 2.264 313 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 313 I C 1.308 177.435 176.117 0.016 0.000 1.111 313 I CA 1.782 63.077 61.300 -0.010 0.000 1.382 313 I CB 0.046 38.113 38.000 0.113 0.000 1.060 313 I HN 0.567 nan 8.210 nan 0.000 0.418 314 E N -0.175 120.011 120.200 -0.023 0.000 2.153 314 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 314 E C 2.070 178.643 176.600 -0.044 0.000 0.988 314 E CA 1.201 57.579 56.400 -0.037 0.000 0.811 314 E CB -0.364 29.316 29.700 -0.033 0.000 0.746 314 E HN 0.538 nan 8.360 nan 0.000 0.466 315 Q N 0.511 120.257 119.800 -0.090 0.000 2.079 315 Q HA -0.035 4.305 4.340 -0.000 0.000 0.200 315 Q C 1.936 177.960 176.000 0.040 0.000 0.974 315 Q CA 1.306 57.050 55.803 -0.098 0.000 0.840 315 Q CB -0.220 28.284 28.738 -0.389 0.000 0.898 315 Q HN 0.360 nan 8.270 nan 0.000 0.430 316 I N 0.559 121.183 120.570 0.090 0.000 2.163 316 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 316 I C 2.018 178.240 176.117 0.175 0.000 1.085 316 I CA 1.701 63.137 61.300 0.227 0.000 1.347 316 I CB -0.413 37.704 38.000 0.195 0.000 1.044 316 I HN 0.351 nan 8.210 nan 0.000 0.408 317 E N 0.261 120.501 120.200 0.067 0.000 2.118 317 E HA -0.309 4.041 4.350 -0.000 0.000 0.195 317 E C 2.131 178.696 176.600 -0.060 0.000 0.992 317 E CA 1.162 57.476 56.400 -0.143 0.000 0.804 317 E CB -0.197 29.312 29.700 -0.317 0.000 0.741 317 E HN 0.556 nan 8.360 nan 0.000 0.458 318 Q N 0.735 120.534 119.800 -0.002 0.000 2.049 318 Q HA -0.174 4.166 4.340 -0.000 0.000 0.198 318 Q C 1.453 177.492 176.000 0.065 0.000 0.971 318 Q CA 1.300 57.115 55.803 0.021 0.000 0.833 318 Q CB 0.154 28.911 28.738 0.032 0.000 0.896 318 Q HN 0.169 nan 8.270 nan 0.000 0.434 319 D N 0.566 121.032 120.400 0.110 0.000 2.190 319 D HA -0.164 4.476 4.640 -0.000 0.000 0.200 319 D C 1.208 177.580 176.300 0.120 0.000 0.992 319 D CA 1.045 55.127 54.000 0.136 0.000 0.854 319 D CB -0.051 40.864 40.800 0.191 0.000 0.936 319 D HN 0.276 nan 8.370 nan 0.000 0.462 320 Q N -0.410 119.465 119.800 0.125 0.000 2.253 320 Q HA 0.225 4.565 4.340 -0.000 0.000 0.210 320 Q C 0.999 177.049 176.000 0.083 0.000 0.907 320 Q CA 0.296 56.176 55.803 0.128 0.000 0.948 320 Q CB 0.592 29.457 28.738 0.213 0.000 1.033 320 Q HN 0.337 nan 8.270 nan 0.000 0.471 321 G N 0.876 109.711 108.800 0.057 0.000 2.155 321 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 321 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 321 G C 0.287 175.192 174.900 0.008 0.000 0.983 321 G CA 0.114 45.236 45.100 0.036 0.000 0.676 321 G HN 0.331 nan 8.290 nan 0.000 0.528 322 L N 0.250 121.454 121.223 -0.032 0.000 2.464 322 L HA 0.373 4.713 4.340 -0.000 0.000 0.264 322 L C 1.000 177.843 176.870 -0.045 0.000 1.199 322 L CA -0.206 54.593 54.840 -0.068 0.000 0.818 322 L CB 0.310 42.262 42.059 -0.178 0.000 1.102 322 L HN 0.533 nan 8.230 nan 0.000 0.473 323 N N 0.111 118.788 118.700 -0.039 0.000 2.491 323 N HA 0.361 5.101 4.740 -0.000 0.000 0.279 323 N C 0.530 176.022 175.510 -0.031 0.000 1.236 323 N CA -0.173 52.863 53.050 -0.023 0.000 0.982 323 N CB 0.915 39.395 38.487 -0.011 0.000 1.194 323 N HN 0.588 nan 8.380 nan 0.000 0.582 324 A N -1.220 121.589 122.820 -0.017 0.000 2.084 324 A HA -0.101 4.219 4.320 -0.000 0.000 0.221 324 A C 1.890 179.463 177.584 -0.019 0.000 1.161 324 A CA 2.128 54.156 52.037 -0.015 0.000 0.653 324 A CB -1.610 17.389 19.000 -0.003 0.000 0.802 324 A HN 0.886 nan 8.150 nan 0.000 0.457 325 E N -0.477 119.711 120.200 -0.019 0.000 2.476 325 E HA 0.297 4.647 4.350 -0.000 0.000 0.196 325 E C 0.577 177.165 176.600 -0.020 0.000 1.029 325 E CA 0.030 56.421 56.400 -0.015 0.000 0.896 325 E CB -0.269 29.426 29.700 -0.008 0.000 1.012 325 E HN 0.874 nan 8.360 nan 0.000 0.475 326 Q N -0.354 119.421 119.800 -0.041 0.000 2.306 326 Q HA 0.732 5.072 4.340 -0.000 0.000 0.269 326 Q C -0.350 175.586 176.000 -0.106 0.000 1.053 326 Q CA -0.606 55.161 55.803 -0.059 0.000 0.879 326 Q CB 2.187 30.885 28.738 -0.066 0.000 1.344 326 Q HN 0.363 nan 8.270 nan 0.000 0.464 327 S N -1.021 114.605 115.700 -0.123 0.000 2.595 327 S HA 0.406 4.876 4.470 -0.000 0.000 0.270 327 S C -1.584 172.950 174.600 -0.109 0.000 1.145 327 S CA -0.916 57.175 58.200 -0.181 0.000 0.825 327 S CB 0.231 63.363 63.200 -0.113 0.000 1.107 327 S HN 0.528 nan 8.310 nan 0.000 0.461 328 Y N 0.723 120.992 120.300 -0.052 0.000 2.304 328 Y HA 0.461 5.011 4.550 -0.000 0.000 0.327 328 Y C 0.229 176.049 175.900 -0.132 0.000 1.209 328 Y CA -0.721 57.348 58.100 -0.053 0.000 1.299 328 Y CB 0.663 39.089 38.460 -0.058 0.000 1.249 328 Y HN 0.659 nan 8.280 nan 0.000 0.519 329 F N 4.726 124.657 119.950 -0.031 0.000 2.368 329 F HA 0.320 4.847 4.527 -0.000 0.000 0.362 329 F C -0.346 175.225 175.800 -0.380 0.000 1.137 329 F CA -1.300 56.598 58.000 -0.170 0.000 1.161 329 F CB 0.199 39.168 39.000 -0.052 0.000 1.265 329 F HN 0.409 nan 8.300 nan 0.000 0.530 330 M N 5.694 124.728 119.600 -0.943 0.000 3.422 330 M HA 0.174 4.654 4.480 -0.000 0.000 0.248 330 M C -0.100 175.704 176.300 -0.826 0.000 1.433 330 M CA 0.127 54.503 55.300 -1.539 0.000 1.592 330 M CB -0.210 31.619 32.600 -1.286 0.000 1.078 330 M HN 0.520 nan 8.290 nan 0.000 0.578 331 S N 1.680 117.020 115.700 -0.600 0.000 2.536 331 S HA 0.684 5.154 4.470 -0.000 0.000 0.271 331 S C -2.689 172.030 174.600 0.199 0.000 1.134 331 S CA -1.278 56.764 58.200 -0.263 0.000 0.897 331 S CB 1.773 64.487 63.200 -0.811 0.000 1.094 331 S HN 0.281 nan 8.310 nan 0.000 0.473 332 P HA 0.348 nan 4.420 nan 0.000 0.273 332 P C -1.238 176.275 177.300 0.355 0.000 1.250 332 P CA -0.295 62.950 63.100 0.242 0.000 0.793 332 P CB 0.311 32.211 31.700 0.332 0.000 1.011 333 F N 0.841 120.885 119.950 0.156 0.000 2.561 333 F HA 0.549 5.076 4.527 -0.000 0.000 0.313 333 F C -0.790 175.177 175.800 0.278 0.000 1.126 333 F CA -1.008 57.113 58.000 0.202 0.000 0.918 333 F CB 1.376 40.405 39.000 0.048 0.000 1.199 333 F HN 0.151 nan 8.300 nan 0.000 0.444 334 I N 6.467 127.105 120.570 0.113 0.000 2.410 334 I HA 0.424 4.594 4.170 -0.000 0.000 0.286 334 I C -1.605 174.641 176.117 0.216 0.000 1.009 334 I CA -0.444 61.052 61.300 0.327 0.000 1.111 334 I CB 0.736 38.925 38.000 0.315 0.000 1.262 334 I HN 0.578 nan 8.210 nan 0.000 0.443 335 N N 8.179 127.146 118.700 0.445 0.000 2.417 335 N HA 0.523 5.263 4.740 -0.000 0.000 0.274 335 N C -1.363 174.343 175.510 0.327 0.000 0.987 335 N CA -0.346 52.950 53.050 0.410 0.000 0.912 335 N CB 1.483 40.276 38.487 0.510 0.000 1.177 335 N HN 0.575 nan 8.380 nan 0.000 0.490 336 I N 3.805 124.485 120.570 0.184 0.000 2.378 336 I HA 0.337 4.507 4.170 -0.000 0.000 0.291 336 I C -0.502 175.611 176.117 -0.007 0.000 0.992 336 I CA -0.699 60.672 61.300 0.119 0.000 1.154 336 I CB 1.388 39.349 38.000 -0.066 0.000 1.315 336 I HN 0.281 nan 8.210 nan 0.000 0.448 337 L N 8.453 129.681 121.223 0.007 0.000 2.401 337 L HA 0.369 4.709 4.340 -0.000 0.000 0.263 337 L C -1.781 174.960 176.870 -0.216 0.000 1.004 337 L CA -1.208 53.509 54.840 -0.205 0.000 0.881 337 L CB 1.504 43.576 42.059 0.022 0.000 1.219 337 L HN 0.386 nan 8.230 nan 0.000 0.441 338 P HA -0.069 nan 4.420 nan 0.000 0.221 338 P C 0.630 177.933 177.300 0.004 0.000 1.155 338 P CA 0.315 63.370 63.100 -0.074 0.000 0.812 338 P CB 0.160 31.846 31.700 -0.024 0.000 0.801 339 F N 1.378 121.430 119.950 0.169 0.000 2.637 339 F HA 0.161 4.688 4.527 -0.000 0.000 0.372 339 F C 1.603 177.491 175.800 0.147 0.000 1.107 339 F CA -0.190 57.888 58.000 0.131 0.000 1.325 339 F CB -0.492 38.561 39.000 0.087 0.000 1.016 339 F HN -0.005 nan 8.300 nan 0.000 0.593 340 E N 2.070 122.465 120.200 0.325 0.000 2.250 340 E HA 0.481 4.831 4.350 -0.000 0.000 0.265 340 E C -0.274 176.450 176.600 0.207 0.000 1.033 340 E CA -0.858 55.684 56.400 0.236 0.000 0.888 340 E CB 1.052 30.870 29.700 0.197 0.000 1.151 340 E HN 0.601 nan 8.360 nan 0.000 0.412 341 S N 2.194 118.002 115.700 0.180 0.000 2.584 341 S HA 0.393 4.863 4.470 -0.000 0.000 0.270 341 S C -1.873 172.817 174.600 0.150 0.000 1.346 341 S CA -0.606 57.704 58.200 0.182 0.000 1.018 341 S CB 0.446 63.755 63.200 0.181 0.000 0.899 341 S HN 0.712 nan 8.310 nan 0.000 0.542 342 P HA 0.173 nan 4.420 nan 0.000 0.271 342 P C -0.984 176.311 177.300 -0.008 0.000 1.218 342 P CA -0.087 63.021 63.100 0.014 0.000 0.780 342 P CB 0.440 32.142 31.700 0.003 0.000 0.901 343 H N 1.451 120.326 119.070 -0.325 0.000 2.529 343 H HA 0.659 5.214 4.556 -0.000 0.000 0.348 343 H C -1.379 173.582 175.328 -0.612 0.000 1.152 343 H CA -0.503 55.398 56.048 -0.245 0.000 1.202 343 H CB 0.660 30.358 29.762 -0.107 0.000 1.562 343 H HN 0.178 nan 8.280 nan 0.000 0.515 344 F N 1.886 121.318 119.950 -0.863 0.000 2.569 344 F HA 0.530 5.057 4.527 -0.000 0.000 0.312 344 F C 0.022 175.396 175.800 -0.709 0.000 1.109 344 F CA -0.864 56.771 58.000 -0.610 0.000 0.919 344 F CB 1.478 40.198 39.000 -0.466 0.000 1.211 344 F HN 0.783 nan 8.300 nan 0.000 0.446 345 A N 1.894 124.641 122.820 -0.122 0.000 2.587 345 A HA 0.245 4.565 4.320 -0.000 0.000 0.235 345 A C 0.567 178.205 177.584 0.091 0.000 1.044 345 A CA 0.422 52.490 52.037 0.053 0.000 0.754 345 A CB -0.322 18.766 19.000 0.147 0.000 0.968 345 A HN 0.933 nan 8.150 nan 0.000 0.509 346 D N -0.857 119.618 120.400 0.125 0.000 3.012 346 D HA -0.166 4.474 4.640 -0.000 0.000 0.222 346 D C -0.247 176.109 176.300 0.093 0.000 1.167 346 D CA 1.493 55.559 54.000 0.110 0.000 0.854 346 D CB -2.037 38.822 40.800 0.098 0.000 1.107 346 D HN 0.615 nan 8.370 nan 0.000 0.421 347 C N 0.089 119.446 119.300 0.096 0.000 2.889 347 C HA 0.542 5.002 4.460 -0.000 0.000 0.307 347 C C -0.085 174.984 174.990 0.133 0.000 1.251 347 C CA -0.913 58.151 59.018 0.078 0.000 1.593 347 C CB 2.494 30.242 27.740 0.013 0.000 2.104 347 C HN 0.029 nan 8.230 nan 0.000 0.476 348 Q N 0.836 120.700 119.800 0.107 0.000 2.309 348 Q HA 0.582 4.922 4.340 -0.000 0.000 0.264 348 Q C -0.742 175.333 176.000 0.125 0.000 1.008 348 Q CA 0.018 55.896 55.803 0.125 0.000 0.853 348 Q CB 1.964 30.755 28.738 0.089 0.000 1.314 348 Q HN 0.756 nan 8.270 nan 0.000 0.448 349 T N 1.844 116.493 114.554 0.158 0.000 2.792 349 T HA 0.327 4.677 4.350 -0.000 0.000 0.280 349 T C -0.669 174.113 174.700 0.138 0.000 0.990 349 T CA -0.520 61.679 62.100 0.165 0.000 0.960 349 T CB 0.987 70.006 68.868 0.252 0.000 0.939 349 T HN 0.399 nan 8.240 nan 0.000 0.439 350 E N 3.800 124.077 120.200 0.127 0.000 2.141 350 E HA 0.321 4.670 4.350 -0.000 0.000 0.259 350 E C -1.095 175.588 176.600 0.138 0.000 0.883 350 E CA -0.785 55.687 56.400 0.121 0.000 0.744 350 E CB 0.714 30.482 29.700 0.112 0.000 1.150 350 E HN 0.277 nan 8.360 nan 0.000 0.420 351 L N 4.580 125.880 121.223 0.128 0.000 2.312 351 L HA 0.495 4.835 4.340 -0.000 0.000 0.281 351 L C -1.111 175.804 176.870 0.074 0.000 1.070 351 L CA -0.118 54.793 54.840 0.119 0.000 0.805 351 L CB 0.959 43.092 42.059 0.123 0.000 1.174 351 L HN 0.545 nan 8.230 nan 0.000 0.434 352 K N 3.958 124.396 120.400 0.063 0.000 2.541 352 K HA 0.476 4.796 4.320 -0.000 0.000 0.250 352 K C -1.569 175.005 176.600 -0.043 0.000 0.950 352 K CA -0.627 55.689 56.287 0.048 0.000 0.805 352 K CB 1.694 34.286 32.500 0.152 0.000 1.166 352 K HN 0.437 nan 8.250 nan 0.000 0.430 353 V N 7.203 127.043 119.914 -0.123 0.000 2.370 353 V HA 0.065 4.185 4.120 -0.000 0.000 0.257 353 V C 1.103 177.215 176.094 0.031 0.000 1.064 353 V CA 0.023 62.226 62.300 -0.162 0.000 0.975 353 V CB 0.319 32.077 31.823 -0.109 0.000 1.067 353 V HN 0.834 nan 8.190 nan 0.000 0.485 354 L N 3.750 125.044 121.223 0.119 0.000 2.446 354 L HA 0.424 4.764 4.340 -0.000 0.000 0.219 354 L C 0.944 177.891 176.870 0.129 0.000 1.116 354 L CA 0.733 55.672 54.840 0.164 0.000 0.844 354 L CB 0.042 42.270 42.059 0.281 0.000 0.970 354 L HN 0.747 nan 8.230 nan 0.000 0.457 355 A N -0.396 122.499 122.820 0.126 0.000 2.582 355 A HA 0.620 4.940 4.320 -0.000 0.000 0.297 355 A C -0.852 176.788 177.584 0.095 0.000 1.059 355 A CA -0.297 51.791 52.037 0.084 0.000 0.705 355 A CB 1.326 20.364 19.000 0.064 0.000 1.279 355 A HN 0.007 nan 8.150 nan 0.000 0.404 356 S N 1.016 116.760 115.700 0.074 0.000 2.563 356 S HA 0.713 5.183 4.470 -0.000 0.000 0.279 356 S C 0.613 175.259 174.600 0.076 0.000 1.155 356 S CA 0.383 58.647 58.200 0.107 0.000 0.928 356 S CB 0.710 63.991 63.200 0.136 0.000 1.107 356 S HN 2.758 nan 8.310 nan 0.000 0.462 357 G N 2.946 111.817 108.800 0.119 0.000 2.616 357 G HA2 0.006 3.966 3.960 -0.000 0.000 0.361 357 G HA3 0.006 3.966 3.960 -0.000 0.000 0.361 357 G C 0.131 175.015 174.900 -0.027 0.000 1.361 357 G CA 0.771 45.881 45.100 0.017 0.000 0.969 357 G HN 2.486 nan 8.290 nan 0.000 0.528 358 S N -1.941 113.722 115.700 -0.062 0.000 2.548 358 S HA 0.731 5.201 4.470 -0.000 0.000 0.278 358 S C -0.277 174.275 174.600 -0.081 0.000 1.150 358 S CA 0.372 58.533 58.200 -0.065 0.000 0.907 358 S CB 1.399 64.559 63.200 -0.068 0.000 1.108 358 S HN 2.373 nan 8.310 nan 0.000 0.459 359 A N 1.116 123.892 122.820 -0.073 0.000 2.531 359 A HA 0.568 4.888 4.320 -0.000 0.000 0.236 359 A C 0.653 178.198 177.584 -0.064 0.000 1.062 359 A CA 0.623 52.606 52.037 -0.090 0.000 0.760 359 A CB -0.596 18.353 19.000 -0.085 0.000 0.995 359 A HN 1.870 nan 8.150 nan 0.000 0.501 360 E N 1.077 121.196 120.200 -0.135 0.000 2.307 360 E HA 0.583 4.933 4.350 -0.000 0.000 0.280 360 E C 0.523 176.988 176.600 -0.225 0.000 0.900 360 E CA 0.312 56.621 56.400 -0.153 0.000 0.790 360 E CB 0.506 30.066 29.700 -0.232 0.000 1.261 360 E HN 2.740 nan 8.360 nan 0.000 0.405 361 G N 1.165 109.926 108.800 -0.065 0.000 2.569 361 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.259 361 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.259 361 G C 0.098 174.782 174.900 -0.359 0.000 1.263 361 G CA -0.040 45.009 45.100 -0.085 0.000 0.928 361 G HN 1.447 nan 8.290 nan 0.000 0.572 362 I N 1.600 121.788 120.570 -0.636 0.000 2.404 362 I HA 0.620 4.790 4.170 -0.000 0.000 0.293 362 I C -0.277 175.521 176.117 -0.532 0.000 0.992 362 I CA -0.811 59.997 61.300 -0.820 0.000 1.149 362 I CB 1.238 38.425 38.000 -1.355 0.000 1.315 362 I HN 0.721 nan 8.210 nan 0.000 0.446 363 N N 5.759 124.154 118.700 -0.509 0.000 2.346 363 N HA 0.471 5.211 4.740 -0.000 0.000 0.289 363 N C -1.731 173.537 175.510 -0.404 0.000 1.027 363 N CA -0.412 52.458 53.050 -0.301 0.000 0.864 363 N CB 1.239 39.635 38.487 -0.153 0.000 1.370 363 N HN 0.282 nan 8.380 nan 0.000 0.481 364 F N 1.891 121.932 119.950 0.151 0.000 2.293 364 F HA 0.315 4.842 4.527 -0.000 0.000 0.370 364 F C 0.282 176.200 175.800 0.195 0.000 1.090 364 F CA -0.577 57.518 58.000 0.157 0.000 1.133 364 F CB 1.450 40.609 39.000 0.265 0.000 1.360 364 F HN 0.210 nan 8.300 nan 0.000 0.489 365 T N 4.154 118.827 114.554 0.198 0.000 2.749 365 T HA 0.437 4.787 4.350 -0.000 0.000 0.287 365 T C -0.645 174.135 174.700 0.133 0.000 0.970 365 T CA -0.271 61.963 62.100 0.223 0.000 0.980 365 T CB 0.239 69.204 68.868 0.162 0.000 0.924 365 T HN 0.120 nan 8.240 nan 0.000 0.456 366 F N 2.407 122.482 119.950 0.210 0.000 2.427 366 F HA 0.658 5.185 4.527 -0.000 0.000 0.346 366 F C 0.883 176.766 175.800 0.138 0.000 1.120 366 F CA -0.880 57.224 58.000 0.174 0.000 1.033 366 F CB 0.986 40.105 39.000 0.198 0.000 1.126 366 F HN 0.479 nan 8.300 nan 0.000 0.462 367 R N 1.861 122.522 120.500 0.268 0.000 2.534 367 R HA 0.897 5.237 4.340 -0.000 0.000 0.301 367 R C 0.100 176.494 176.300 0.156 0.000 0.961 367 R CA -0.465 55.747 56.100 0.186 0.000 0.871 367 R CB 1.018 31.400 30.300 0.137 0.000 1.170 367 R HN 1.427 nan 8.270 nan 0.000 0.446 368 G N -0.392 108.496 108.800 0.146 0.000 2.236 368 G HA2 0.420 4.380 3.960 -0.000 0.000 0.231 368 G HA3 0.420 4.380 3.960 -0.000 0.000 0.231 368 G C -0.493 174.421 174.900 0.023 0.000 1.334 368 G CA 0.452 45.603 45.100 0.085 0.000 1.137 368 G HN 1.973 nan 8.290 nan 0.000 0.482 369 S N 0.422 115.988 115.700 -0.223 0.000 2.582 369 S HA 0.633 5.103 4.470 -0.000 0.000 0.287 369 S C -2.071 172.073 174.600 -0.760 0.000 1.146 369 S CA 0.239 58.087 58.200 -0.587 0.000 0.941 369 S CB 2.288 65.137 63.200 -0.586 0.000 1.115 369 S HN 0.639 nan 8.310 nan 0.000 0.458 370 P HA -0.147 nan 4.420 nan 0.000 0.227 370 P C 0.591 177.579 177.300 -0.520 0.000 1.145 370 P CA 1.146 63.790 63.100 -0.761 0.000 0.769 370 P CB 0.079 31.221 31.700 -0.930 0.000 0.769 371 Q N -1.800 117.658 119.800 -0.569 0.000 2.376 371 Q HA 0.013 4.353 4.340 -0.000 0.000 0.206 371 Q C 1.487 177.443 176.000 -0.073 0.000 0.921 371 Q CA 0.719 56.322 55.803 -0.334 0.000 0.911 371 Q CB -0.074 28.462 28.738 -0.335 0.000 1.032 371 Q HN 0.586 nan 8.270 nan 0.000 0.510 372 H N -0.554 118.421 119.070 -0.158 0.000 4.983 372 H HA 0.520 5.076 4.556 -0.000 0.000 0.113 372 H C 0.060 175.322 175.328 -0.111 0.000 1.343 372 H CA -0.158 55.828 56.048 -0.104 0.000 0.892 372 H CB 0.334 30.052 29.762 -0.073 0.000 1.645 372 H HN 0.020 nan 8.280 nan 0.000 0.259 373 E N 0.900 121.138 120.200 0.062 0.000 2.224 373 E HA 0.662 5.012 4.350 -0.000 0.000 0.265 373 E C -1.268 175.298 176.600 -0.056 0.000 0.878 373 E CA -0.224 56.162 56.400 -0.024 0.000 0.759 373 E CB 1.044 30.745 29.700 0.001 0.000 1.164 373 E HN 0.600 nan 8.360 nan 0.000 0.414 374 L N 0.866 122.026 121.223 -0.105 0.000 2.342 374 L HA 0.737 5.077 4.340 -0.000 0.000 0.276 374 L C -0.093 176.748 176.870 -0.048 0.000 0.997 374 L CA -1.133 53.663 54.840 -0.072 0.000 0.838 374 L CB 0.103 42.069 42.059 -0.154 0.000 1.224 374 L HN 0.848 nan 8.230 nan 0.000 0.416 375 C N 3.848 123.152 119.300 0.006 0.000 2.322 375 C HA 0.742 5.202 4.460 -0.000 0.000 0.324 375 C C 0.184 175.162 174.990 -0.021 0.000 1.284 375 C CA -0.947 58.053 59.018 -0.031 0.000 1.606 375 C CB 0.850 28.576 27.740 -0.022 0.000 2.251 375 C HN 0.941 nan 8.230 nan 0.000 0.502 376 L N 4.157 125.318 121.223 -0.103 0.000 2.281 376 L HA 0.501 4.841 4.340 -0.000 0.000 0.285 376 L C -0.758 176.059 176.870 -0.089 0.000 1.074 376 L CA 0.659 55.306 54.840 -0.321 0.000 0.817 376 L CB 0.293 42.160 42.059 -0.321 0.000 1.168 376 L HN 0.560 nan 8.230 nan 0.000 0.434 377 D N 6.323 126.673 120.400 -0.084 0.000 2.461 377 D HA 0.327 4.967 4.640 -0.000 0.000 0.240 377 D C -0.396 175.950 176.300 0.076 0.000 1.094 377 D CA -0.067 53.958 54.000 0.042 0.000 0.868 377 D CB 0.996 41.825 40.800 0.047 0.000 1.062 377 D HN 0.320 nan 8.370 nan 0.000 0.530 378 I N 2.396 123.058 120.570 0.152 0.000 2.347 378 I HA 0.171 4.341 4.170 -0.000 0.000 0.294 378 I C 0.581 176.845 176.117 0.244 0.000 1.090 378 I CA 0.056 61.446 61.300 0.150 0.000 1.314 378 I CB -0.305 37.843 38.000 0.247 0.000 1.423 378 I HN 0.080 nan 8.210 nan 0.000 0.503 379 T N 5.638 120.208 114.554 0.026 0.000 2.856 379 T HA 0.808 5.157 4.350 -0.000 0.000 0.283 379 T C -0.094 174.487 174.700 -0.198 0.000 1.008 379 T CA -0.518 61.554 62.100 -0.046 0.000 0.997 379 T CB 2.208 71.032 68.868 -0.073 0.000 0.992 379 T HN 0.743 nan 8.240 nan 0.000 0.454 380 A N 1.992 124.601 122.820 -0.351 0.000 2.515 380 A HA 0.689 5.009 4.320 -0.000 0.000 0.298 380 A C -1.433 176.004 177.584 -0.244 0.000 1.059 380 A CA -0.824 51.012 52.037 -0.335 0.000 0.698 380 A CB 1.619 20.423 19.000 -0.327 0.000 1.289 380 A HN 0.731 nan 8.150 nan 0.000 0.404 381 D N 2.120 122.471 120.400 -0.082 0.000 2.460 381 D HA 0.398 5.038 4.640 -0.000 0.000 0.232 381 D C 0.767 177.123 176.300 0.092 0.000 1.079 381 D CA -0.425 53.582 54.000 0.012 0.000 0.864 381 D CB 0.248 41.085 40.800 0.061 0.000 1.048 381 D HN 0.367 nan 8.370 nan 0.000 0.523 382 L N 2.646 123.892 121.223 0.038 0.000 2.351 382 L HA -0.114 4.226 4.340 -0.000 0.000 0.220 382 L C 2.105 178.996 176.870 0.036 0.000 1.127 382 L CA 1.083 55.931 54.840 0.014 0.000 0.786 382 L CB -0.424 41.553 42.059 -0.137 0.000 0.914 382 L HN 0.475 nan 8.230 nan 0.000 0.443 383 A N -0.464 122.413 122.820 0.096 0.000 2.206 383 A HA -0.026 4.294 4.320 -0.000 0.000 0.211 383 A C 1.887 179.620 177.584 0.248 0.000 1.158 383 A CA 1.236 53.353 52.037 0.134 0.000 0.761 383 A CB -0.143 18.937 19.000 0.133 0.000 0.801 383 A HN 0.495 nan 8.150 nan 0.000 0.473 384 S N -3.519 112.315 115.700 0.223 0.000 2.998 384 S HA 0.399 4.869 4.470 -0.000 0.000 0.256 384 S C -0.498 174.235 174.600 0.223 0.000 0.970 384 S CA -0.411 57.883 58.200 0.156 0.000 1.238 384 S CB -0.416 62.792 63.200 0.013 0.000 1.170 384 S HN 0.439 nan 8.310 nan 0.000 0.663 385 Y N 1.429 121.765 120.300 0.059 0.000 2.482 385 Y HA 0.519 5.069 4.550 -0.000 0.000 0.334 385 Y C -3.240 172.684 175.900 0.041 0.000 1.091 385 Y CA -1.678 56.467 58.100 0.075 0.000 1.027 385 Y CB 1.681 40.214 38.460 0.121 0.000 1.306 385 Y HN -0.060 nan 8.280 nan 0.000 0.446 386 P HA -0.019 nan 4.420 nan 0.000 0.258 386 P C 0.527 177.854 177.300 0.045 0.000 1.214 386 P CA 0.563 63.459 63.100 -0.340 0.000 0.872 386 P CB 0.707 31.951 31.700 -0.759 0.000 0.890 387 Q N 3.142 123.028 119.800 0.143 0.000 2.118 387 Q HA -0.268 4.072 4.340 -0.000 0.000 0.211 387 Q C 1.820 178.055 176.000 0.392 0.000 0.998 387 Q CA 2.867 58.845 55.803 0.291 0.000 0.872 387 Q CB -0.339 28.499 28.738 0.167 0.000 0.925 387 Q HN 0.543 nan 8.270 nan 0.000 0.414 388 S N -0.839 115.020 115.700 0.266 0.000 2.368 388 S HA -0.198 4.272 4.470 -0.000 0.000 0.225 388 S C 1.652 176.396 174.600 0.240 0.000 1.030 388 S CA 1.472 59.807 58.200 0.224 0.000 0.999 388 S CB -0.645 62.652 63.200 0.161 0.000 0.844 388 S HN 0.485 nan 8.310 nan 0.000 0.459 389 H N -0.006 119.132 119.070 0.112 0.000 2.353 389 H HA 0.001 4.557 4.556 -0.000 0.000 0.300 389 H C 1.579 177.115 175.328 0.346 0.000 1.090 389 H CA 1.540 57.664 56.048 0.126 0.000 1.327 389 H CB -0.832 28.949 29.762 0.032 0.000 1.383 389 H HN 0.672 nan 8.280 nan 0.000 0.508 390 W N 2.029 123.655 121.300 0.543 0.000 2.317 390 W HA -0.242 4.418 4.660 -0.000 0.000 0.318 390 W C 2.100 178.793 176.519 0.289 0.000 1.227 390 W CA 2.006 59.631 57.345 0.465 0.000 1.269 390 W CB -0.468 29.205 29.460 0.355 0.000 1.155 390 W HN 0.203 nan 8.180 nan 0.000 0.484 391 Q N -0.356 119.395 119.800 -0.082 0.000 2.096 391 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 391 Q C 2.459 178.317 176.000 -0.238 0.000 0.982 391 Q CA 2.104 57.663 55.803 -0.407 0.000 0.850 391 Q CB -0.888 27.786 28.738 -0.107 0.000 0.901 391 Q HN 0.302 nan 8.270 nan 0.000 0.422 392 S N -0.402 115.234 115.700 -0.107 0.000 2.399 392 S HA -0.184 4.286 4.470 -0.000 0.000 0.231 392 S C 1.717 176.260 174.600 -0.095 0.000 1.022 392 S CA 0.900 59.023 58.200 -0.127 0.000 0.983 392 S CB -0.127 62.958 63.200 -0.191 0.000 0.803 392 S HN 0.430 nan 8.310 nan 0.000 0.480 393 H N 0.022 119.119 119.070 0.044 0.000 2.395 393 H HA 0.037 4.593 4.556 -0.000 0.000 0.299 393 H C 2.429 177.802 175.328 0.075 0.000 1.070 393 H CA 1.322 57.470 56.048 0.166 0.000 1.356 393 H CB -0.771 29.169 29.762 0.296 0.000 1.401 393 H HN 0.470 nan 8.280 nan 0.000 0.524 394 C N 0.702 119.980 119.300 -0.038 0.000 2.422 394 C HA -0.099 4.361 4.460 -0.000 0.000 0.279 394 C C 2.732 177.668 174.990 -0.089 0.000 1.305 394 C CA 1.201 60.144 59.018 -0.125 0.000 1.757 394 C CB -0.471 27.033 27.740 -0.393 0.000 1.962 394 C HN 0.650 nan 8.230 nan 0.000 0.499 395 E N 1.427 121.584 120.200 -0.072 0.000 2.030 395 E HA -0.141 4.209 4.350 -0.000 0.000 0.189 395 E C 2.276 178.872 176.600 -0.007 0.000 0.974 395 E CA 1.057 57.424 56.400 -0.055 0.000 0.807 395 E CB -0.451 29.219 29.700 -0.051 0.000 0.771 395 E HN 0.477 nan 8.360 nan 0.000 0.451 396 R N -1.237 119.307 120.500 0.073 0.000 2.193 396 R HA -0.013 4.327 4.340 -0.000 0.000 0.213 396 R C 1.851 178.276 176.300 0.208 0.000 1.055 396 R CA 0.678 56.875 56.100 0.162 0.000 0.995 396 R CB -0.242 30.194 30.300 0.227 0.000 0.893 396 R HN 0.239 nan 8.270 nan 0.000 0.459 397 F N 1.769 121.625 119.950 -0.158 0.000 2.128 397 F HA 0.091 4.618 4.527 -0.000 0.000 0.295 397 F C -1.122 174.448 175.800 -0.382 0.000 1.100 397 F CA 0.216 57.841 58.000 -0.625 0.000 1.260 397 F CB -1.031 37.611 39.000 -0.596 0.000 1.009 397 F HN -0.033 nan 8.300 nan 0.000 0.476 398 P HA -0.150 nan 4.420 nan 0.000 0.218 398 P C 1.775 178.989 177.300 -0.143 0.000 1.149 398 P CA 1.662 64.443 63.100 -0.531 0.000 0.817 398 P CB -0.199 30.731 31.700 -1.283 0.000 0.785 399 R N -1.079 119.379 120.500 -0.070 0.000 2.096 399 R HA -0.144 4.195 4.340 -0.000 0.000 0.235 399 R C 2.120 178.458 176.300 0.063 0.000 1.127 399 R CA 1.209 57.321 56.100 0.020 0.000 0.968 399 R CB -0.902 29.423 30.300 0.041 0.000 0.861 399 R HN 0.134 nan 8.270 nan 0.000 0.440 400 F N 0.359 120.262 119.950 -0.077 0.000 2.126 400 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 400 F C 1.517 177.248 175.800 -0.114 0.000 1.096 400 F CA 1.611 59.556 58.000 -0.093 0.000 1.255 400 F CB -0.349 38.563 39.000 -0.145 0.000 0.997 400 F HN -0.038 nan 8.300 nan 0.000 0.479 401 F N 0.554 120.563 119.950 0.099 0.000 2.259 401 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 401 F C 2.338 178.124 175.800 -0.024 0.000 1.088 401 F CA 1.099 59.109 58.000 0.017 0.000 1.358 401 F CB -0.366 38.696 39.000 0.103 0.000 1.040 401 F HN -0.014 nan 8.300 nan 0.000 0.505 402 E N 0.037 120.342 120.200 0.175 0.000 2.072 402 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 402 E C 2.065 178.686 176.600 0.036 0.000 0.985 402 E CA 0.987 57.454 56.400 0.113 0.000 0.801 402 E CB -0.176 29.583 29.700 0.098 0.000 0.750 402 E HN 0.518 nan 8.360 nan 0.000 0.452 403 Q N 0.204 119.987 119.800 -0.029 0.000 2.167 403 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 403 Q C 2.169 178.112 176.000 -0.095 0.000 0.970 403 Q CA 0.606 56.370 55.803 -0.066 0.000 0.855 403 Q CB -0.005 28.670 28.738 -0.105 0.000 0.911 403 Q HN 0.174 nan 8.270 nan 0.000 0.438 404 L N 0.832 121.960 121.223 -0.158 0.000 2.027 404 L HA -0.148 4.192 4.340 -0.000 0.000 0.206 404 L C 2.509 179.384 176.870 0.008 0.000 1.074 404 L CA 1.697 56.455 54.840 -0.136 0.000 0.745 404 L CB -1.084 40.872 42.059 -0.172 0.000 0.898 404 L HN 0.262 nan 8.230 nan 0.000 0.433 405 L N -1.414 119.843 121.223 0.057 0.000 2.046 405 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 405 L C 2.742 179.711 176.870 0.165 0.000 1.077 405 L CA 2.413 57.336 54.840 0.138 0.000 0.747 405 L CB -2.385 39.743 42.059 0.114 0.000 0.896 405 L HN 0.523 nan 8.230 nan 0.000 0.432 406 A N -0.175 122.695 122.820 0.084 0.000 1.851 406 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 406 A C 2.755 180.375 177.584 0.059 0.000 1.195 406 A CA 3.415 55.485 52.037 0.054 0.000 0.622 406 A CB -1.128 17.887 19.000 0.024 0.000 0.831 406 A HN 1.062 nan 8.150 nan 0.000 0.444 407 R N -1.467 119.063 120.500 0.051 0.000 2.170 407 R HA -0.150 4.190 4.340 -0.000 0.000 0.242 407 R C 1.963 178.337 176.300 0.123 0.000 1.145 407 R CA 1.994 58.127 56.100 0.054 0.000 0.984 407 R CB -1.682 28.633 30.300 0.024 0.000 0.869 407 R HN 0.684 nan 8.270 nan 0.000 0.455 408 F N 1.664 121.598 119.950 -0.026 0.000 2.098 408 F HA -0.106 4.420 4.527 -0.000 0.000 0.294 408 F C 2.368 178.155 175.800 -0.021 0.000 1.107 408 F CA 1.561 59.549 58.000 -0.019 0.000 1.234 408 F CB -0.172 38.819 39.000 -0.016 0.000 1.002 408 F HN 0.222 nan 8.300 nan 0.000 0.472 409 Q N 0.384 120.152 119.800 -0.054 0.000 2.152 409 Q HA -0.282 4.058 4.340 -0.000 0.000 0.206 409 Q C 2.351 178.272 176.000 -0.133 0.000 0.985 409 Q CA 2.336 58.047 55.803 -0.154 0.000 0.863 409 Q CB -1.522 27.183 28.738 -0.056 0.000 0.904 409 Q HN 0.720 nan 8.270 nan 0.000 0.422 410 Q N 0.669 120.432 119.800 -0.062 0.000 2.112 410 Q HA -0.069 4.271 4.340 -0.000 0.000 0.206 410 Q C 1.592 177.555 176.000 -0.061 0.000 0.987 410 Q CA 1.852 57.628 55.803 -0.044 0.000 0.858 410 Q CB -0.507 28.225 28.738 -0.010 0.000 0.905 410 Q HN 0.291 nan 8.270 nan 0.000 0.420 411 V N 0.484 120.351 119.914 -0.079 0.000 2.412 411 V HA 0.545 4.665 4.120 -0.000 0.000 0.270 411 V C 0.625 176.633 176.094 -0.142 0.000 1.169 411 V CA 0.401 62.655 62.300 -0.076 0.000 1.319 411 V CB -0.731 31.079 31.823 -0.022 0.000 1.467 411 V HN 0.833 nan 8.190 nan 0.000 0.535 412 E N 1.535 121.635 120.200 -0.167 0.000 2.365 412 E HA -0.365 3.985 4.350 -0.000 0.000 0.237 412 E C 0.735 177.144 176.600 -0.318 0.000 1.238 412 E CA 1.222 57.505 56.400 -0.195 0.000 0.718 412 E CB -2.610 27.019 29.700 -0.119 0.000 1.218 412 E HN 0.969 nan 8.360 nan 0.000 0.387 413 Q N -2.059 117.379 119.800 -0.602 0.000 2.461 413 Q HA -0.219 4.121 4.340 -0.000 0.000 0.273 413 Q C -0.024 175.650 176.000 -0.544 0.000 1.163 413 Q CA 1.087 56.167 55.803 -1.204 0.000 0.929 413 Q CB -1.087 27.152 28.738 -0.831 0.000 1.334 413 Q HN 0.877 nan 8.270 nan 0.000 0.499 414 D N -0.274 119.997 120.400 -0.214 0.000 2.393 414 D HA 0.208 4.848 4.640 -0.000 0.000 0.232 414 D C 0.960 177.390 176.300 0.217 0.000 1.192 414 D CA -0.159 53.857 54.000 0.027 0.000 0.882 414 D CB 1.037 41.836 40.800 -0.001 0.000 1.038 414 D HN -0.027 nan 8.370 nan 0.000 0.499 415 V N 4.397 124.491 119.914 0.301 0.000 2.324 415 V HA -0.301 3.819 4.120 -0.000 0.000 0.250 415 V C 2.455 178.636 176.094 0.146 0.000 1.060 415 V CA 2.283 64.740 62.300 0.263 0.000 1.042 415 V CB -0.876 31.051 31.823 0.172 0.000 0.650 415 V HN 0.705 nan 8.190 nan 0.000 0.450 416 A N 0.107 122.989 122.820 0.104 0.000 1.908 416 A HA -0.245 4.074 4.320 -0.000 0.000 0.218 416 A C 2.528 180.155 177.584 0.072 0.000 1.181 416 A CA 2.900 54.979 52.037 0.071 0.000 0.627 416 A CB -0.767 18.264 19.000 0.052 0.000 0.818 416 A HN 0.538 nan 8.150 nan 0.000 0.445 417 R N -0.467 120.080 120.500 0.078 0.000 2.088 417 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 417 R C 2.166 178.516 176.300 0.084 0.000 1.136 417 R CA 1.946 58.086 56.100 0.067 0.000 0.926 417 R CB -1.746 28.585 30.300 0.051 0.000 0.837 417 R HN 0.760 nan 8.270 nan 0.000 0.429 418 L N 0.742 122.048 121.223 0.138 0.000 2.129 418 L HA -0.079 4.261 4.340 -0.000 0.000 0.212 418 L C 2.323 179.245 176.870 0.085 0.000 1.087 418 L CA 1.811 56.738 54.840 0.145 0.000 0.757 418 L CB -0.347 41.867 42.059 0.259 0.000 0.896 418 L HN 0.463 nan 8.230 nan 0.000 0.434 419 L N -1.182 120.087 121.223 0.077 0.000 2.240 419 L HA -0.007 4.333 4.340 -0.000 0.000 0.211 419 L C 2.536 179.438 176.870 0.054 0.000 1.106 419 L CA 0.769 55.644 54.840 0.059 0.000 0.793 419 L CB -0.727 41.365 42.059 0.055 0.000 0.927 419 L HN 0.325 nan 8.230 nan 0.000 0.446 420 A N -0.533 122.318 122.820 0.050 0.000 2.014 420 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 420 A C 1.076 178.682 177.584 0.037 0.000 1.163 420 A CA 0.415 52.477 52.037 0.041 0.000 0.652 420 A CB -0.271 18.750 19.000 0.035 0.000 0.808 420 A HN 0.345 nan 8.150 nan 0.000 0.449 421 E N 0.332 120.554 120.200 0.037 0.000 2.425 421 E HA 0.159 4.509 4.350 -0.000 0.000 0.258 421 E C -2.337 174.279 176.600 0.026 0.000 1.151 421 E CA -1.724 54.693 56.400 0.028 0.000 0.958 421 E CB 0.018 29.734 29.700 0.027 0.000 0.968 421 E HN 0.178 nan 8.360 nan 0.000 0.451 422 P HA -0.077 nan 4.420 nan 0.000 0.269 422 P C -0.242 177.058 177.300 0.000 0.000 1.215 422 P CA 0.242 63.350 63.100 0.014 0.000 0.780 422 P CB 0.703 32.407 31.700 0.007 0.000 0.898 423 A N 2.759 125.574 122.820 -0.009 0.000 1.849 423 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 423 A C 1.278 178.808 177.584 -0.090 0.000 1.202 423 A CA 2.131 54.122 52.037 -0.076 0.000 0.629 423 A CB -1.526 17.385 19.000 -0.148 0.000 0.834 423 A HN 0.637 nan 8.150 nan 0.000 0.447 424 A N 0.000 122.777 122.820 -0.071 0.000 2.254 424 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 424 A CA 0.000 52.013 52.037 -0.040 0.000 0.836 424 A CB 0.000 18.978 19.000 -0.036 0.000 0.831 424 A HN 0.000 nan 8.150 nan 0.000 0.486