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 1m8d_1_B DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSXXXXXX XXCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ N 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 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.131 176.000 0.219 0.000 1.003 77 Q CA 0.000 55.837 55.803 0.057 0.000 1.022 77 Q CB 0.000 28.788 28.738 0.084 0.000 1.108 78 Y N -1.225 119.162 120.300 0.145 0.000 2.488 78 Y HA 0.842 5.392 4.550 0.000 0.000 0.325 78 Y C 0.027 176.006 175.900 0.132 0.000 1.204 78 Y CA -2.074 56.133 58.100 0.179 0.000 1.229 78 Y CB 1.664 40.196 38.460 0.119 0.000 1.274 78 Y HN -0.017 nan 8.280 nan 0.000 0.493 79 V N 3.359 123.475 119.914 0.336 0.000 2.398 79 V HA 0.386 4.506 4.120 0.000 0.000 0.286 79 V C 0.004 176.283 176.094 0.309 0.000 1.026 79 V CA -0.983 61.396 62.300 0.133 0.000 0.868 79 V CB 1.090 32.804 31.823 -0.181 0.000 0.982 79 V HN 0.823 nan 8.190 nan 0.000 0.443 80 R N 4.907 125.581 120.500 0.291 0.000 2.316 80 R HA 0.377 4.718 4.340 0.000 0.000 0.314 80 R C -0.990 175.372 176.300 0.103 0.000 1.069 80 R CA -0.265 56.002 56.100 0.279 0.000 0.959 80 R CB 0.332 30.790 30.300 0.264 0.000 0.987 80 R HN 0.502 nan 8.270 nan 0.000 0.446 81 I N 4.303 124.882 120.570 0.016 0.000 2.474 81 I HA 0.328 4.498 4.170 0.000 0.000 0.294 81 I C -0.261 175.778 176.117 -0.129 0.000 1.005 81 I CA -0.575 60.701 61.300 -0.039 0.000 1.113 81 I CB 1.706 39.670 38.000 -0.060 0.000 1.289 81 I HN 0.632 nan 8.210 nan 0.000 0.436 82 K N 4.858 125.191 120.400 -0.111 0.000 2.316 82 K HA 0.375 4.695 4.320 0.000 0.000 0.251 82 K C -0.675 175.809 176.600 -0.193 0.000 0.934 82 K CA -0.605 55.528 56.287 -0.257 0.000 0.802 82 K CB 1.732 33.939 32.500 -0.488 0.000 1.171 82 K HN 0.513 nan 8.250 nan 0.000 0.426 83 N N 4.222 122.794 118.700 -0.213 0.000 2.546 83 N HA 0.103 4.843 4.740 0.000 0.000 0.238 83 N C -0.344 175.128 175.510 -0.063 0.000 0.984 83 N CA -0.411 52.625 53.050 -0.023 0.000 0.935 83 N CB 0.359 38.841 38.487 -0.007 0.000 1.122 83 N HN 0.660 nan 8.380 nan 0.000 0.510 84 W N 2.347 123.714 121.300 0.113 0.000 2.721 84 W HA 0.134 4.794 4.660 0.000 0.000 0.245 84 W C 1.967 178.516 176.519 0.049 0.000 1.276 84 W CA 0.294 57.697 57.345 0.096 0.000 1.342 84 W CB 0.100 29.646 29.460 0.143 0.000 1.135 84 W HN 0.623 nan 8.180 nan 0.000 0.654 85 G N -0.485 108.434 108.800 0.199 0.000 2.447 85 G HA2 -0.151 3.809 3.960 0.000 0.000 0.211 85 G HA3 -0.151 3.809 3.960 0.000 0.000 0.211 85 G C 1.480 176.389 174.900 0.014 0.000 1.184 85 G CA 1.047 46.167 45.100 0.035 0.000 0.813 85 G HN 0.252 nan 8.290 nan 0.000 0.540 86 S N -0.916 114.791 115.700 0.011 0.000 2.540 86 S HA 0.399 4.869 4.470 0.000 0.000 0.218 86 S C 1.884 176.450 174.600 -0.055 0.000 0.977 86 S CA 0.950 59.138 58.200 -0.020 0.000 0.918 86 S CB 0.404 63.592 63.200 -0.019 0.000 0.806 86 S HN 1.509 nan 8.310 nan 0.000 0.496 87 G N 0.919 109.667 108.800 -0.087 0.000 2.328 87 G HA2 -0.329 3.631 3.960 0.000 0.000 0.256 87 G HA3 -0.329 3.631 3.960 0.000 0.000 0.256 87 G C -0.012 174.776 174.900 -0.187 0.000 1.014 87 G CA 0.394 45.402 45.100 -0.154 0.000 0.620 87 G HN 0.606 nan 8.290 nan 0.000 0.530 88 E N 0.819 120.930 120.200 -0.149 0.000 2.653 88 E HA 0.298 4.648 4.350 0.000 0.000 0.264 88 E C 0.731 177.195 176.600 -0.226 0.000 0.949 88 E CA 0.582 56.882 56.400 -0.167 0.000 0.953 88 E CB 0.222 29.838 29.700 -0.140 0.000 0.925 88 E HN 0.332 nan 8.360 nan 0.000 0.475 89 I N 4.583 125.000 120.570 -0.254 0.000 2.474 89 I HA 0.381 4.551 4.170 0.000 0.000 0.294 89 I C -0.265 175.583 176.117 -0.449 0.000 1.005 89 I CA -0.559 60.550 61.300 -0.317 0.000 1.113 89 I CB 0.933 38.768 38.000 -0.276 0.000 1.289 89 I HN 0.406 nan 8.210 nan 0.000 0.436 90 L N 4.884 125.805 121.223 -0.504 0.000 2.388 90 L HA 0.486 4.826 4.340 0.000 0.000 0.264 90 L C -0.816 175.746 176.870 -0.514 0.000 0.998 90 L CA -0.828 53.645 54.840 -0.613 0.000 0.817 90 L CB 2.416 43.993 42.059 -0.804 0.000 1.338 90 L HN 0.442 nan 8.230 nan 0.000 0.414 91 H N 1.321 120.299 119.070 -0.153 0.000 2.595 91 H HA 0.221 4.777 4.556 0.000 0.000 0.313 91 H C -1.100 174.358 175.328 0.216 0.000 1.023 91 H CA -0.613 55.385 56.048 -0.084 0.000 1.218 91 H CB 1.666 31.096 29.762 -0.555 0.000 1.403 91 H HN 0.478 nan 8.280 nan 0.000 0.477 92 D N 2.373 123.045 120.400 0.454 0.000 2.295 92 D HA 0.049 4.689 4.640 0.000 0.000 0.248 92 D C 0.742 177.292 176.300 0.417 0.000 1.154 92 D CA 0.017 54.302 54.000 0.474 0.000 0.857 92 D CB 1.254 42.304 40.800 0.416 0.000 1.117 92 D HN 0.637 nan 8.370 nan 0.000 0.468 93 T N 0.961 115.675 114.554 0.267 0.000 2.955 93 T HA -0.045 4.305 4.350 0.000 0.000 0.251 93 T C 1.829 176.480 174.700 -0.082 0.000 1.002 93 T CA -0.279 61.902 62.100 0.135 0.000 0.970 93 T CB 0.024 68.995 68.868 0.172 0.000 1.091 93 T HN 0.253 nan 8.240 nan 0.000 0.495 94 L N 3.235 124.437 121.223 -0.035 0.000 2.265 94 L HA -0.054 4.286 4.340 0.000 0.000 0.215 94 L C 2.404 179.100 176.870 -0.289 0.000 1.117 94 L CA 1.713 56.500 54.840 -0.088 0.000 0.782 94 L CB -0.948 41.103 42.059 -0.012 0.000 0.914 94 L HN 0.581 nan 8.230 nan 0.000 0.441 95 H N -2.685 116.019 119.070 -0.610 0.000 2.560 95 H HA -0.152 4.404 4.556 0.000 0.000 0.283 95 H C 1.365 176.343 175.328 -0.585 0.000 1.028 95 H CA 1.619 57.008 56.048 -1.099 0.000 1.221 95 H CB -0.901 28.258 29.762 -1.005 0.000 1.363 95 H HN 0.592 nan 8.280 nan 0.000 0.594 96 H N 0.695 119.365 119.070 -0.667 0.000 2.502 96 H HA 0.073 4.629 4.556 0.000 0.000 0.283 96 H C 1.456 176.654 175.328 -0.218 0.000 1.015 96 H CA 0.379 56.170 56.048 -0.428 0.000 1.298 96 H CB 0.514 30.052 29.762 -0.372 0.000 1.411 96 H HN 0.139 nan 8.280 nan 0.000 0.556 97 K N 0.652 121.006 120.400 -0.077 0.000 2.487 97 K HA 0.184 4.504 4.320 0.000 0.000 0.192 97 K C 0.915 177.512 176.600 -0.004 0.000 1.027 97 K CA 0.218 56.496 56.287 -0.014 0.000 1.054 97 K CB 0.446 32.951 32.500 0.009 0.000 0.824 97 K HN 0.161 nan 8.250 nan 0.000 0.510 98 A N 2.222 125.012 122.820 -0.050 0.000 2.543 98 A HA 0.002 4.322 4.320 0.000 0.000 0.258 98 A C 1.000 178.586 177.584 0.004 0.000 1.391 98 A CA -0.010 52.023 52.037 -0.007 0.000 1.066 98 A CB -1.067 17.909 19.000 -0.040 0.000 0.972 98 A HN 0.262 nan 8.150 nan 0.000 0.560 99 T N -1.405 113.159 114.554 0.017 0.000 3.928 99 T HA 0.207 4.557 4.350 0.000 0.000 0.247 99 T C 0.509 175.233 174.700 0.040 0.000 0.955 99 T CA 0.474 62.594 62.100 0.034 0.000 0.935 99 T CB -0.871 68.028 68.868 0.052 0.000 1.180 99 T HN 0.245 nan 8.240 nan 0.000 0.660 110 L N 6.238 127.484 121.223 0.039 0.000 2.437 110 L HA 0.340 4.680 4.340 0.000 0.000 0.243 110 L C 1.666 178.572 176.870 0.060 0.000 1.346 110 L CA 1.220 56.089 54.840 0.048 0.000 1.233 110 L CB -0.437 41.653 42.059 0.052 0.000 1.436 110 L HN 0.955 nan 8.230 nan 0.000 0.416 111 G N 0.614 109.447 108.800 0.055 0.000 2.552 111 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 111 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 111 G C 1.090 176.050 174.900 0.100 0.000 1.240 111 G CA 0.858 45.997 45.100 0.065 0.000 0.796 111 G HN 0.567 nan 8.290 nan 0.000 0.568 112 S N 0.360 116.118 115.700 0.097 0.000 2.577 112 S HA 0.499 4.969 4.470 0.000 0.000 0.239 112 S C 0.062 174.739 174.600 0.129 0.000 1.236 112 S CA -0.773 57.504 58.200 0.128 0.000 1.233 112 S CB 0.046 63.309 63.200 0.105 0.000 0.908 112 S HN 0.062 nan 8.310 nan 0.000 0.493 113 I N 2.300 122.947 120.570 0.128 0.000 2.371 113 I HA 0.263 4.433 4.170 0.000 0.000 0.290 113 I C 1.351 177.563 176.117 0.157 0.000 1.028 113 I CA -0.415 60.955 61.300 0.115 0.000 1.345 113 I CB 0.857 38.910 38.000 0.089 0.000 1.407 113 I HN 0.380 nan 8.210 nan 0.000 0.501 114 M N 5.990 125.676 119.600 0.143 0.000 2.066 114 M HA -0.098 4.382 4.480 0.000 0.000 0.259 114 M C 0.646 177.002 176.300 0.094 0.000 1.074 114 M CA 2.002 57.407 55.300 0.175 0.000 1.114 114 M CB -0.042 32.624 32.600 0.110 0.000 1.306 114 M HN 0.475 nan 8.290 nan 0.000 0.411 115 N N 1.169 119.867 118.700 -0.003 0.000 2.976 115 N HA 0.345 5.085 4.740 0.000 0.000 0.255 115 N C -2.593 172.933 175.510 0.026 0.000 1.312 115 N CA -0.907 52.087 53.050 -0.093 0.000 0.897 115 N CB 0.421 38.765 38.487 -0.239 0.000 1.184 115 N HN 0.319 nan 8.380 nan 0.000 0.497 116 P HA 0.194 nan 4.420 nan 0.000 0.274 116 P C 0.557 177.926 177.300 0.116 0.000 1.231 116 P CA -0.308 62.850 63.100 0.097 0.000 0.790 116 P CB 1.967 33.731 31.700 0.106 0.000 0.951 117 K N 0.592 121.040 120.400 0.081 0.000 2.147 117 K HA -0.101 4.219 4.320 0.000 0.000 0.205 117 K C 2.092 178.749 176.600 0.096 0.000 1.049 117 K CA 1.845 58.177 56.287 0.074 0.000 0.936 117 K CB -0.343 32.181 32.500 0.040 0.000 0.722 117 K HN 0.551 nan 8.250 nan 0.000 0.446 118 S N 0.991 116.750 115.700 0.097 0.000 2.442 118 S HA -0.100 4.370 4.470 0.000 0.000 0.236 118 S C 1.627 176.334 174.600 0.178 0.000 1.007 118 S CA 0.907 59.166 58.200 0.100 0.000 0.965 118 S CB -0.263 62.980 63.200 0.070 0.000 0.773 118 S HN 0.234 nan 8.310 nan 0.000 0.504 119 L N 1.131 122.497 121.223 0.239 0.000 2.667 119 L HA 0.295 4.635 4.340 0.000 0.000 0.232 119 L C -0.143 177.036 176.870 0.514 0.000 1.138 119 L CA -0.072 54.985 54.840 0.362 0.000 0.921 119 L CB 0.133 42.373 42.059 0.301 0.000 1.180 119 L HN 0.188 nan 8.230 nan 0.000 0.487 120 T N -0.123 114.648 114.554 0.362 0.000 2.829 120 T HA 0.442 4.792 4.350 0.000 0.000 0.280 120 T C -0.458 174.274 174.700 0.053 0.000 0.999 120 T CA -0.477 61.782 62.100 0.265 0.000 0.983 120 T CB 2.326 71.293 68.868 0.166 0.000 0.968 120 T HN -0.082 nan 8.240 nan 0.000 0.446 121 R N 1.953 122.446 120.500 -0.011 0.000 2.312 121 R HA 0.582 4.922 4.340 0.000 0.000 0.310 121 R C 0.494 176.751 176.300 -0.071 0.000 1.064 121 R CA -0.420 55.569 56.100 -0.185 0.000 0.983 121 R CB 0.128 30.206 30.300 -0.370 0.000 1.139 121 R HN 0.827 nan 8.270 nan 0.000 0.536 122 G N 3.484 112.243 108.800 -0.069 0.000 2.611 122 G HA2 0.288 4.248 3.960 0.000 0.000 0.273 122 G HA3 0.288 4.248 3.960 0.000 0.000 0.273 122 G C -1.969 172.897 174.900 -0.056 0.000 1.305 122 G CA -0.859 44.208 45.100 -0.056 0.000 1.010 122 G HN 0.587 nan 8.290 nan 0.000 0.509 123 P HA 0.366 nan 4.420 nan 0.000 0.274 123 P C -0.685 176.589 177.300 -0.043 0.000 1.256 123 P CA -0.283 62.788 63.100 -0.049 0.000 0.795 123 P CB 1.260 32.925 31.700 -0.058 0.000 1.038 124 R N -0.264 120.213 120.500 -0.037 0.000 2.799 124 R HA 0.330 4.670 4.340 0.000 0.000 0.270 124 R C -0.366 175.914 176.300 -0.034 0.000 1.010 124 R CA -0.538 55.543 56.100 -0.032 0.000 0.916 124 R CB 1.256 31.540 30.300 -0.025 0.000 1.228 124 R HN 0.439 nan 8.270 nan 0.000 0.469 125 D N -0.359 120.023 120.400 -0.029 0.000 2.539 125 D HA 0.161 4.801 4.640 0.000 0.000 0.232 125 D C -0.466 175.823 176.300 -0.019 0.000 1.256 125 D CA -0.135 53.845 54.000 -0.034 0.000 0.810 125 D CB 0.645 41.424 40.800 -0.035 0.000 1.090 125 D HN 0.221 nan 8.370 nan 0.000 0.519 126 K N 0.312 120.706 120.400 -0.009 0.000 2.527 126 K HA 0.490 4.810 4.320 0.000 0.000 0.260 126 K C -3.009 173.594 176.600 0.006 0.000 0.937 126 K CA -1.840 54.448 56.287 0.002 0.000 0.826 126 K CB 2.571 35.071 32.500 0.001 0.000 1.359 126 K HN -0.216 nan 8.250 nan 0.000 0.434 127 P HA 0.003 nan 4.420 nan 0.000 0.269 127 P C -0.697 176.612 177.300 0.014 0.000 1.215 127 P CA -0.089 63.021 63.100 0.017 0.000 0.780 127 P CB 0.361 32.076 31.700 0.025 0.000 0.898 128 T N 4.377 118.941 114.554 0.016 0.000 2.871 128 T HA 0.087 4.437 4.350 0.000 0.000 0.296 128 T C -2.027 172.688 174.700 0.025 0.000 0.998 128 T CA -0.384 61.729 62.100 0.023 0.000 1.162 128 T CB -0.722 68.169 68.868 0.039 0.000 0.947 128 T HN 0.313 nan 8.240 nan 0.000 0.536 129 P HA -0.008 nan 4.420 nan 0.000 0.264 129 P C 1.176 178.480 177.300 0.006 0.000 1.183 129 P CA -0.394 62.711 63.100 0.008 0.000 0.763 129 P CB 0.406 32.106 31.700 -0.001 0.000 0.807 130 L N 4.651 125.877 121.223 0.005 0.000 2.021 130 L HA -0.227 4.113 4.340 0.000 0.000 0.215 130 L C 1.902 178.761 176.870 -0.020 0.000 1.074 130 L CA 2.551 57.391 54.840 0.001 0.000 0.760 130 L CB -1.221 40.838 42.059 -0.000 0.000 0.889 130 L HN 0.531 nan 8.230 nan 0.000 0.433 131 E N -0.997 119.186 120.200 -0.028 0.000 2.209 131 E HA -0.268 4.082 4.350 0.000 0.000 0.196 131 E C 1.944 178.495 176.600 -0.083 0.000 0.993 131 E CA 1.613 57.985 56.400 -0.047 0.000 0.819 131 E CB -0.340 29.338 29.700 -0.038 0.000 0.745 131 E HN 0.677 nan 8.360 nan 0.000 0.477 132 E N 0.082 120.236 120.200 -0.076 0.000 2.102 132 E HA -0.079 4.271 4.350 0.000 0.000 0.190 132 E C 1.962 178.462 176.600 -0.168 0.000 0.971 132 E CA 0.306 56.628 56.400 -0.130 0.000 0.821 132 E CB 0.058 29.735 29.700 -0.039 0.000 0.777 132 E HN 0.300 nan 8.360 nan 0.000 0.460 133 L N 1.113 122.320 121.223 -0.026 0.000 2.005 133 L HA -0.101 4.239 4.340 0.000 0.000 0.207 133 L C 2.257 179.145 176.870 0.030 0.000 1.072 133 L CA 1.286 56.165 54.840 0.064 0.000 0.744 133 L CB -0.758 41.361 42.059 0.099 0.000 0.895 133 L HN 0.253 nan 8.230 nan 0.000 0.433 134 L N 0.344 121.551 121.223 -0.027 0.000 2.013 134 L HA -0.128 4.212 4.340 0.000 0.000 0.212 134 L C -0.468 176.372 176.870 -0.051 0.000 1.073 134 L CA 2.244 57.053 54.840 -0.052 0.000 0.753 134 L CB -1.942 40.085 42.059 -0.054 0.000 0.890 134 L HN 0.195 nan 8.230 nan 0.000 0.432 135 P HA -0.123 nan 4.420 nan 0.000 0.217 135 P C 1.230 178.549 177.300 0.031 0.000 1.150 135 P CA 1.404 64.459 63.100 -0.075 0.000 0.832 135 P CB -0.141 31.460 31.700 -0.165 0.000 0.787 136 H N -0.629 118.479 119.070 0.062 0.000 2.357 136 H HA 0.066 4.622 4.556 0.000 0.000 0.301 136 H C 1.980 177.402 175.328 0.157 0.000 1.082 136 H CA 1.368 57.480 56.048 0.107 0.000 1.342 136 H CB -1.075 28.751 29.762 0.107 0.000 1.389 136 H HN 0.028 nan 8.280 nan 0.000 0.511 137 A N 1.072 124.026 122.820 0.223 0.000 1.877 137 A HA -0.125 4.195 4.320 0.000 0.000 0.216 137 A C 2.651 180.311 177.584 0.126 0.000 1.186 137 A CA 1.482 53.589 52.037 0.116 0.000 0.620 137 A CB -0.873 17.941 19.000 -0.311 0.000 0.822 137 A HN 0.311 nan 8.150 nan 0.000 0.443 138 I N -0.682 119.926 120.570 0.062 0.000 2.286 138 I HA -0.214 3.956 4.170 0.000 0.000 0.248 138 I C 2.632 178.820 176.117 0.119 0.000 1.115 138 I CA 1.387 62.725 61.300 0.064 0.000 1.392 138 I CB -0.266 37.747 38.000 0.022 0.000 1.065 138 I HN 0.368 nan 8.210 nan 0.000 0.418 139 E N 0.964 121.259 120.200 0.159 0.000 2.051 139 E HA -0.253 4.097 4.350 0.000 0.000 0.192 139 E C 2.108 178.836 176.600 0.213 0.000 0.991 139 E CA 1.510 58.015 56.400 0.174 0.000 0.799 139 E CB -0.227 29.596 29.700 0.205 0.000 0.748 139 E HN 0.418 nan 8.360 nan 0.000 0.449 140 F N 1.628 121.673 119.950 0.159 0.000 2.102 140 F HA -0.196 4.331 4.527 0.000 0.000 0.298 140 F C 2.134 178.047 175.800 0.188 0.000 1.105 140 F CA 1.075 59.191 58.000 0.193 0.000 1.239 140 F CB -0.384 38.749 39.000 0.223 0.000 0.991 140 F HN -0.040 nan 8.300 nan 0.000 0.474 141 I N 0.974 121.487 120.570 -0.096 0.000 2.208 141 I HA -0.332 3.838 4.170 0.000 0.000 0.245 141 I C 2.054 178.120 176.117 -0.084 0.000 1.097 141 I CA 1.327 62.563 61.300 -0.107 0.000 1.363 141 I CB -1.689 36.388 38.000 0.129 0.000 1.051 141 I HN 0.250 nan 8.210 nan 0.000 0.413 142 N N 0.741 119.440 118.700 -0.002 0.000 2.120 142 N HA -0.225 4.515 4.740 0.000 0.000 0.188 142 N C 1.864 177.268 175.510 -0.177 0.000 1.024 142 N CA 1.125 54.158 53.050 -0.028 0.000 0.852 142 N CB -0.400 38.145 38.487 0.095 0.000 1.003 142 N HN 0.512 nan 8.380 nan 0.000 0.424 143 Q N -0.402 119.331 119.800 -0.111 0.000 2.050 143 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 143 Q C 2.048 177.887 176.000 -0.268 0.000 0.980 143 Q CA 1.222 56.987 55.803 -0.065 0.000 0.840 143 Q CB -0.210 28.611 28.738 0.139 0.000 0.898 143 Q HN 0.491 nan 8.270 nan 0.000 0.424 144 Y N -0.251 119.626 120.300 -0.704 0.000 2.070 144 Y HA -0.323 4.227 4.550 0.000 0.000 0.280 144 Y C 1.688 176.844 175.900 -1.241 0.000 1.148 144 Y CA 2.110 59.438 58.100 -1.287 0.000 1.125 144 Y CB -0.470 37.188 38.460 -1.337 0.000 0.975 144 Y HN 0.183 nan 8.280 nan 0.000 0.492 145 Y N 0.117 119.689 120.300 -1.212 0.000 2.403 145 Y HA -0.055 4.495 4.550 0.000 0.000 0.291 145 Y C 2.505 177.634 175.900 -1.286 0.000 1.143 145 Y CA 1.257 58.347 58.100 -1.684 0.000 1.257 145 Y CB -0.742 36.892 38.460 -1.378 0.000 0.984 145 Y HN 0.283 nan 8.280 nan 0.000 0.550 146 G N -1.630 106.766 108.800 -0.674 0.000 2.920 146 G HA2 -0.116 3.844 3.960 0.000 0.000 0.208 146 G HA3 -0.116 3.844 3.960 0.000 0.000 0.208 146 G C 1.569 176.319 174.900 -0.249 0.000 1.159 146 G CA 0.773 45.660 45.100 -0.355 0.000 0.784 146 G HN 0.441 nan 8.290 nan 0.000 0.535 147 S N -0.280 115.212 115.700 -0.346 0.000 2.524 147 S HA 0.282 4.752 4.470 0.000 0.000 0.216 147 S C 0.702 175.368 174.600 0.110 0.000 0.987 147 S CA -0.735 57.427 58.200 -0.065 0.000 0.909 147 S CB -0.340 62.855 63.200 -0.007 0.000 0.781 147 S HN 0.218 nan 8.310 nan 0.000 0.521 148 F N 2.547 122.339 119.950 -0.264 0.000 2.543 148 F HA 0.232 4.759 4.527 0.000 0.000 0.375 148 F C 1.725 177.464 175.800 -0.101 0.000 1.075 148 F CA -0.710 57.173 58.000 -0.195 0.000 1.225 148 F CB 0.684 39.560 39.000 -0.206 0.000 1.099 148 F HN 0.149 nan 8.300 nan 0.000 0.561 149 K N 1.499 121.957 120.400 0.098 0.000 2.211 149 K HA -0.086 4.234 4.320 0.000 0.000 0.203 149 K C 0.154 176.784 176.600 0.051 0.000 1.050 149 K CA 1.010 57.328 56.287 0.053 0.000 0.945 149 K CB 0.246 32.759 32.500 0.022 0.000 0.732 149 K HN 0.493 nan 8.250 nan 0.000 0.451 150 E N 1.112 121.351 120.200 0.064 0.000 2.256 150 E HA 0.185 4.535 4.350 0.000 0.000 0.243 150 E C -1.197 175.478 176.600 0.125 0.000 0.925 150 E CA -0.307 56.130 56.400 0.060 0.000 0.748 150 E CB 1.289 31.001 29.700 0.020 0.000 1.206 150 E HN 0.274 nan 8.360 nan 0.000 0.428 151 A N 3.558 126.442 122.820 0.107 0.000 2.584 151 A HA -0.046 4.274 4.320 0.000 0.000 0.239 151 A C 0.366 178.030 177.584 0.134 0.000 1.043 151 A CA 0.550 52.654 52.037 0.112 0.000 0.756 151 A CB 0.112 19.143 19.000 0.052 0.000 0.963 151 A HN 0.371 nan 8.150 nan 0.000 0.511 152 K N 4.010 124.524 120.400 0.189 0.000 2.602 152 K HA 0.216 4.536 4.320 0.000 0.000 0.201 152 K C 0.492 177.146 176.600 0.091 0.000 1.070 152 K CA -0.651 55.743 56.287 0.179 0.000 1.026 152 K CB 0.460 33.153 32.500 0.322 0.000 1.534 152 K HN 0.652 nan 8.250 nan 0.000 0.560 153 I N 1.324 121.922 120.570 0.046 0.000 2.113 153 I HA -0.358 3.812 4.170 0.000 0.000 0.242 153 I C 1.988 178.074 176.117 -0.051 0.000 1.057 153 I CA 1.890 63.190 61.300 -0.001 0.000 1.314 153 I CB -0.530 37.462 38.000 -0.013 0.000 1.022 153 I HN 0.575 nan 8.210 nan 0.000 0.408 154 E N 0.264 120.446 120.200 -0.030 0.000 2.031 154 E HA -0.264 4.086 4.350 0.000 0.000 0.193 154 E C 2.135 178.693 176.600 -0.069 0.000 0.994 154 E CA 1.300 57.673 56.400 -0.046 0.000 0.800 154 E CB -0.220 29.472 29.700 -0.014 0.000 0.752 154 E HN 0.534 nan 8.360 nan 0.000 0.447 155 E N 0.320 120.500 120.200 -0.033 0.000 2.118 155 E HA -0.247 4.103 4.350 0.000 0.000 0.195 155 E C 2.058 178.438 176.600 -0.367 0.000 0.992 155 E CA 1.025 57.404 56.400 -0.036 0.000 0.804 155 E CB -0.093 29.721 29.700 0.192 0.000 0.741 155 E HN 0.388 nan 8.360 nan 0.000 0.458 156 H N 0.204 118.799 119.070 -0.793 0.000 2.267 156 H HA -0.134 4.422 4.556 0.000 0.000 0.297 156 H C 2.311 177.278 175.328 -0.602 0.000 1.080 156 H CA 1.591 56.883 56.048 -1.260 0.000 1.278 156 H CB -0.014 29.295 29.762 -0.755 0.000 1.365 156 H HN 0.150 nan 8.280 nan 0.000 0.489 157 L N 0.394 121.403 121.223 -0.358 0.000 2.012 157 L HA -0.194 4.146 4.340 0.000 0.000 0.210 157 L C 3.115 179.882 176.870 -0.172 0.000 1.073 157 L CA 0.990 55.653 54.840 -0.296 0.000 0.748 157 L CB -0.716 41.206 42.059 -0.228 0.000 0.891 157 L HN 0.417 nan 8.230 nan 0.000 0.431 158 A N 0.209 122.951 122.820 -0.131 0.000 1.908 158 A HA -0.279 4.041 4.320 0.000 0.000 0.218 158 A C 2.368 179.933 177.584 -0.033 0.000 1.181 158 A CA 2.133 54.133 52.037 -0.063 0.000 0.627 158 A CB -0.519 18.463 19.000 -0.030 0.000 0.818 158 A HN 0.302 nan 8.150 nan 0.000 0.445 159 R N -0.116 120.361 120.500 -0.039 0.000 2.075 159 R HA 0.052 4.392 4.340 0.000 0.000 0.232 159 R C 1.945 178.267 176.300 0.037 0.000 1.126 159 R CA 1.476 57.611 56.100 0.058 0.000 0.963 159 R CB -0.865 29.549 30.300 0.190 0.000 0.858 159 R HN 0.510 nan 8.270 nan 0.000 0.435 160 L N 0.301 121.517 121.223 -0.011 0.000 2.043 160 L HA -0.209 4.131 4.340 0.000 0.000 0.212 160 L C 2.554 179.400 176.870 -0.040 0.000 1.075 160 L CA 2.103 56.929 54.840 -0.022 0.000 0.752 160 L CB -0.505 41.501 42.059 -0.089 0.000 0.891 160 L HN 0.426 nan 8.230 nan 0.000 0.432 161 E N -0.084 120.087 120.200 -0.049 0.000 2.047 161 E HA -0.224 4.126 4.350 0.000 0.000 0.191 161 E C 2.215 178.804 176.600 -0.018 0.000 0.987 161 E CA 1.091 57.468 56.400 -0.039 0.000 0.799 161 E CB -0.007 29.667 29.700 -0.043 0.000 0.752 161 E HN 0.447 nan 8.360 nan 0.000 0.449 162 A N 0.607 123.427 122.820 0.001 0.000 1.865 162 A HA -0.172 4.148 4.320 0.000 0.000 0.217 162 A C 2.439 180.037 177.584 0.023 0.000 1.191 162 A CA 1.722 53.773 52.037 0.023 0.000 0.623 162 A CB -0.917 18.112 19.000 0.048 0.000 0.826 162 A HN 0.235 nan 8.150 nan 0.000 0.444 163 V N -0.115 119.807 119.914 0.013 0.000 2.287 163 V HA -0.257 3.863 4.120 0.000 0.000 0.248 163 V C 2.763 178.802 176.094 -0.092 0.000 1.053 163 V CA 2.532 64.806 62.300 -0.043 0.000 1.027 163 V CB -1.380 30.365 31.823 -0.130 0.000 0.646 163 V HN 0.640 nan 8.190 nan 0.000 0.447 164 T N -0.252 114.256 114.554 -0.077 0.000 2.684 164 T HA -0.253 4.097 4.350 0.000 0.000 0.267 164 T C 1.915 176.594 174.700 -0.035 0.000 1.036 164 T CA 1.788 63.847 62.100 -0.067 0.000 1.148 164 T CB -0.248 68.589 68.868 -0.053 0.000 0.863 164 T HN 0.497 nan 8.240 nan 0.000 0.436 165 K N 0.675 121.065 120.400 -0.017 0.000 2.097 165 K HA -0.053 4.267 4.320 0.000 0.000 0.205 165 K C 2.451 179.060 176.600 0.015 0.000 1.050 165 K CA 1.043 57.329 56.287 -0.001 0.000 0.938 165 K CB -0.107 32.395 32.500 0.003 0.000 0.718 165 K HN 0.441 nan 8.250 nan 0.000 0.442 166 E N 1.295 121.512 120.200 0.028 0.000 2.085 166 E HA -0.201 4.149 4.350 0.000 0.000 0.194 166 E C 1.934 178.573 176.600 0.066 0.000 0.994 166 E CA 1.130 57.566 56.400 0.060 0.000 0.801 166 E CB 0.000 29.761 29.700 0.101 0.000 0.743 166 E HN 0.239 nan 8.360 nan 0.000 0.453 167 I N 0.779 121.377 120.570 0.047 0.000 2.202 167 I HA -0.244 3.926 4.170 0.000 0.000 0.242 167 I C 2.247 178.384 176.117 0.033 0.000 1.091 167 I CA 1.324 62.655 61.300 0.052 0.000 1.368 167 I CB -0.263 37.738 38.000 0.002 0.000 1.058 167 I HN 0.147 nan 8.210 nan 0.000 0.410 168 E N 0.258 120.465 120.200 0.013 0.000 2.153 168 E HA -0.192 4.158 4.350 0.000 0.000 0.194 168 E C 2.108 178.717 176.600 0.016 0.000 0.988 168 E CA 1.973 58.379 56.400 0.009 0.000 0.811 168 E CB -0.078 29.622 29.700 -0.001 0.000 0.746 168 E HN 0.614 nan 8.360 nan 0.000 0.466 169 T N -2.103 112.464 114.554 0.021 0.000 3.009 169 T HA -0.049 4.301 4.350 0.000 0.000 0.258 169 T C 2.094 176.812 174.700 0.029 0.000 1.063 169 T CA 1.215 63.329 62.100 0.023 0.000 1.139 169 T CB -0.099 68.783 68.868 0.022 0.000 0.890 169 T HN 0.199 nan 8.240 nan 0.000 0.471 170 T N -2.325 112.252 114.554 0.039 0.000 2.990 170 T HA 0.484 4.834 4.350 0.000 0.000 0.250 170 T C 1.837 176.565 174.700 0.047 0.000 1.041 170 T CA 0.676 62.802 62.100 0.044 0.000 1.010 170 T CB -0.142 68.758 68.868 0.053 0.000 1.003 170 T HN 0.923 nan 8.240 nan 0.000 0.499 171 G N 0.231 109.061 108.800 0.051 0.000 2.136 171 G HA2 -0.114 3.846 3.960 0.000 0.000 0.242 171 G HA3 -0.114 3.846 3.960 0.000 0.000 0.242 171 G C 0.155 175.100 174.900 0.076 0.000 0.989 171 G CA 0.535 45.666 45.100 0.052 0.000 0.682 171 G HN 1.099 nan 8.290 nan 0.000 0.522 172 T N -1.657 112.964 114.554 0.111 0.000 2.648 172 T HA 0.626 4.976 4.350 0.000 0.000 0.300 172 T C -1.848 173.019 174.700 0.277 0.000 1.751 172 T CA 0.504 62.706 62.100 0.172 0.000 0.959 172 T CB 0.969 69.882 68.868 0.075 0.000 1.888 172 T HN 1.783 nan 8.240 nan 0.000 0.480 173 Y N -0.203 120.111 120.300 0.024 0.000 2.624 173 Y HA 0.798 5.348 4.550 0.000 0.000 0.334 173 Y C -1.529 174.397 175.900 0.042 0.000 1.155 173 Y CA -1.164 56.959 58.100 0.040 0.000 1.046 173 Y CB 0.933 39.429 38.460 0.060 0.000 1.316 173 Y HN 0.467 nan 8.280 nan 0.000 0.457 174 Q N 2.796 122.610 119.800 0.022 0.000 2.274 174 Q HA 0.540 4.880 4.340 0.000 0.000 0.260 174 Q C -0.815 175.197 176.000 0.019 0.000 0.974 174 Q CA -0.802 54.969 55.803 -0.054 0.000 0.876 174 Q CB 2.902 31.653 28.738 0.022 0.000 1.297 174 Q HN 0.875 nan 8.270 nan 0.000 0.446 175 L N 1.096 122.309 121.223 -0.018 0.000 2.421 175 L HA 0.392 4.732 4.340 0.000 0.000 0.263 175 L C 0.993 177.897 176.870 0.056 0.000 1.122 175 L CA -0.541 54.339 54.840 0.068 0.000 0.804 175 L CB 0.816 42.907 42.059 0.053 0.000 1.150 175 L HN 0.666 nan 8.230 nan 0.000 0.457 176 T N -1.461 113.118 114.554 0.042 0.000 2.899 176 T HA 0.190 4.540 4.350 0.000 0.000 0.284 176 T C 0.886 175.586 174.700 0.000 0.000 1.004 176 T CA -0.767 61.345 62.100 0.020 0.000 1.043 176 T CB 1.262 70.136 68.868 0.011 0.000 1.013 176 T HN 0.453 nan 8.240 nan 0.000 0.518 177 L N 0.962 122.187 121.223 0.004 0.000 2.043 177 L HA -0.078 4.262 4.340 0.000 0.000 0.212 177 L C 1.945 178.821 176.870 0.010 0.000 1.075 177 L CA 2.023 56.859 54.840 -0.007 0.000 0.752 177 L CB -1.168 40.886 42.059 -0.008 0.000 0.891 177 L HN 0.755 nan 8.230 nan 0.000 0.432 178 D N -0.452 119.966 120.400 0.031 0.000 2.117 178 D HA -0.184 4.456 4.640 0.000 0.000 0.197 178 D C 2.134 178.507 176.300 0.122 0.000 0.987 178 D CA 1.410 55.469 54.000 0.098 0.000 0.829 178 D CB 0.022 40.913 40.800 0.152 0.000 0.961 178 D HN 0.535 nan 8.370 nan 0.000 0.460 179 E N -0.089 120.043 120.200 -0.113 0.000 2.051 179 E HA -0.157 4.193 4.350 0.000 0.000 0.192 179 E C 2.059 178.797 176.600 0.229 0.000 0.991 179 E CA 0.377 56.673 56.400 -0.173 0.000 0.799 179 E CB -0.084 29.483 29.700 -0.222 0.000 0.748 179 E HN 0.107 nan 8.360 nan 0.000 0.449 180 L N 1.188 122.460 121.223 0.082 0.000 2.017 180 L HA -0.172 4.168 4.340 0.000 0.000 0.208 180 L C 2.037 178.922 176.870 0.025 0.000 1.073 180 L CA 1.576 56.411 54.840 -0.008 0.000 0.745 180 L CB -0.295 41.700 42.059 -0.108 0.000 0.894 180 L HN 0.137 nan 8.230 nan 0.000 0.432 181 I N -1.107 119.501 120.570 0.063 0.000 2.163 181 I HA -0.348 3.822 4.170 0.000 0.000 0.243 181 I C 2.420 178.643 176.117 0.175 0.000 1.085 181 I CA 1.947 63.289 61.300 0.071 0.000 1.347 181 I CB -0.471 37.568 38.000 0.066 0.000 1.044 181 I HN 0.360 nan 8.210 nan 0.000 0.408 182 F N 1.688 121.738 119.950 0.166 0.000 2.171 182 F HA -0.234 4.294 4.527 0.000 0.000 0.300 182 F C 2.446 178.400 175.800 0.256 0.000 1.090 182 F CA 1.490 59.651 58.000 0.269 0.000 1.293 182 F CB -0.177 39.095 39.000 0.453 0.000 1.013 182 F HN -0.001 nan 8.300 nan 0.000 0.486 183 A N 0.142 123.095 122.820 0.222 0.000 1.873 183 A HA -0.195 4.125 4.320 0.000 0.000 0.215 183 A C 2.280 179.781 177.584 -0.139 0.000 1.186 183 A CA 2.414 54.455 52.037 0.007 0.000 0.616 183 A CB -1.648 17.311 19.000 -0.068 0.000 0.823 183 A HN 0.543 nan 8.150 nan 0.000 0.442 184 T N -1.488 113.017 114.554 -0.081 0.000 2.746 184 T HA -0.171 4.179 4.350 0.000 0.000 0.267 184 T C 1.809 176.543 174.700 0.056 0.000 1.039 184 T CA 1.703 63.782 62.100 -0.036 0.000 1.142 184 T CB -0.366 68.498 68.868 -0.006 0.000 0.866 184 T HN 0.536 nan 8.240 nan 0.000 0.444 185 K N 0.199 120.649 120.400 0.084 0.000 2.057 185 K HA 0.088 4.408 4.320 0.000 0.000 0.206 185 K C 2.546 179.254 176.600 0.179 0.000 1.050 185 K CA 1.208 57.641 56.287 0.243 0.000 0.935 185 K CB -0.224 32.418 32.500 0.237 0.000 0.715 185 K HN 0.262 nan 8.250 nan 0.000 0.439 186 M N 0.511 120.034 119.600 -0.128 0.000 2.132 186 M HA -0.069 4.411 4.480 0.000 0.000 0.263 186 M C 2.443 178.597 176.300 -0.243 0.000 1.065 186 M CA 1.336 56.459 55.300 -0.295 0.000 1.122 186 M CB -1.013 31.298 32.600 -0.482 0.000 1.365 186 M HN 0.155 nan 8.290 nan 0.000 0.411 187 A N -0.539 122.102 122.820 -0.299 0.000 1.908 187 A HA -0.219 4.102 4.320 0.000 0.000 0.218 187 A C 2.011 179.401 177.584 -0.324 0.000 1.181 187 A CA 1.560 53.273 52.037 -0.541 0.000 0.627 187 A CB -1.164 17.123 19.000 -1.188 0.000 0.818 187 A HN 0.675 nan 8.150 nan 0.000 0.445 188 W N 0.922 122.094 121.300 -0.213 0.000 2.355 188 W HA -0.127 4.534 4.660 0.000 0.000 0.309 188 W C 2.315 178.749 176.519 -0.141 0.000 1.206 188 W CA 1.527 58.832 57.345 -0.066 0.000 1.284 188 W CB -0.736 28.706 29.460 -0.030 0.000 1.145 188 W HN 0.367 nan 8.180 nan 0.000 0.502 189 R N 0.344 120.788 120.500 -0.093 0.000 2.159 189 R HA -0.182 4.158 4.340 0.000 0.000 0.237 189 R C 1.096 177.241 176.300 -0.258 0.000 1.131 189 R CA 1.751 57.620 56.100 -0.385 0.000 0.982 189 R CB -0.497 29.355 30.300 -0.746 0.000 0.868 189 R HN 0.071 nan 8.270 nan 0.000 0.453 190 N N -0.057 118.528 118.700 -0.192 0.000 2.268 190 N HA 0.079 4.819 4.740 0.000 0.000 0.204 190 N C -0.874 174.555 175.510 -0.135 0.000 1.124 190 N CA 0.354 53.326 53.050 -0.130 0.000 0.838 190 N CB 1.226 39.679 38.487 -0.056 0.000 0.994 190 N HN 0.144 nan 8.380 nan 0.000 0.489 191 A N 1.597 124.323 122.820 -0.157 0.000 2.527 191 A HA 0.358 4.678 4.320 0.000 0.000 0.313 191 A C -1.370 176.139 177.584 -0.124 0.000 1.410 191 A CA -1.125 50.776 52.037 -0.225 0.000 1.060 191 A CB 0.477 19.409 19.000 -0.113 0.000 1.137 191 A HN -0.038 nan 8.150 nan 0.000 0.542 192 P HA -0.129 nan 4.420 nan 0.000 0.223 192 P C 1.069 178.308 177.300 -0.101 0.000 1.144 192 P CA 1.135 64.183 63.100 -0.085 0.000 0.783 192 P CB 0.168 31.823 31.700 -0.075 0.000 0.771 193 R N -2.318 118.079 120.500 -0.171 0.000 2.334 193 R HA 0.161 4.501 4.340 0.000 0.000 0.216 193 R C 0.312 176.608 176.300 -0.008 0.000 0.905 193 R CA -0.133 55.885 56.100 -0.137 0.000 1.064 193 R CB -0.292 29.709 30.300 -0.499 0.000 1.046 193 R HN 0.181 nan 8.270 nan 0.000 0.508 194 C N 1.013 120.290 119.300 -0.039 0.000 2.325 194 C HA 0.274 4.734 4.460 0.000 0.000 0.347 194 C C 1.675 176.619 174.990 -0.078 0.000 1.263 194 C CA -0.800 58.226 59.018 0.013 0.000 1.806 194 C CB -0.354 27.462 27.740 0.128 0.000 2.405 194 C HN 0.463 nan 8.230 nan 0.000 0.537 195 I N 4.567 125.070 120.570 -0.112 0.000 3.251 195 I HA 0.239 4.409 4.170 0.000 0.000 0.277 195 I C 1.900 178.046 176.117 0.048 0.000 1.268 195 I CA 1.293 62.461 61.300 -0.219 0.000 1.449 195 I CB 0.089 37.981 38.000 -0.181 0.000 1.083 195 I HN 0.863 nan 8.210 nan 0.000 0.464 196 G N 0.147 108.993 108.800 0.078 0.000 3.371 196 G HA2 0.033 3.993 3.960 0.000 0.000 0.248 196 G HA3 0.033 3.993 3.960 0.000 0.000 0.248 196 G C 1.209 176.105 174.900 -0.007 0.000 1.161 196 G CA -0.368 44.782 45.100 0.083 0.000 0.796 196 G HN 0.279 nan 8.290 nan 0.000 0.539 197 R N -0.009 120.415 120.500 -0.127 0.000 2.341 197 R HA 0.053 4.393 4.340 0.000 0.000 0.213 197 R C 1.865 177.656 176.300 -0.848 0.000 1.082 197 R CA 0.247 55.970 56.100 -0.629 0.000 1.017 197 R CB -0.285 29.686 30.300 -0.549 0.000 0.860 197 R HN 0.454 nan 8.270 nan 0.000 0.473 198 I N 1.131 121.399 120.570 -0.502 0.000 2.756 198 I HA -0.206 3.964 4.170 0.000 0.000 0.262 198 I C 1.394 177.404 176.117 -0.178 0.000 1.225 198 I CA 1.182 62.364 61.300 -0.196 0.000 1.472 198 I CB 0.174 38.189 38.000 0.025 0.000 1.094 198 I HN 0.141 nan 8.210 nan 0.000 0.454 199 Q N 0.514 120.110 119.800 -0.340 0.000 2.360 199 Q HA -0.079 4.261 4.340 0.000 0.000 0.202 199 Q C 1.549 177.035 176.000 -0.857 0.000 0.915 199 Q CA 0.195 55.775 55.803 -0.371 0.000 0.943 199 Q CB -0.134 28.538 28.738 -0.109 0.000 1.064 199 Q HN 0.767 nan 8.270 nan 0.000 0.511 200 W N 1.237 121.762 121.300 -1.291 0.000 2.292 200 W HA -0.259 4.402 4.660 0.000 0.000 0.304 200 W C 1.279 177.485 176.519 -0.521 0.000 1.228 200 W CA 1.682 58.172 57.345 -1.424 0.000 1.241 200 W CB -1.306 27.569 29.460 -0.974 0.000 1.142 200 W HN 0.177 nan 8.180 nan 0.000 0.520 201 S N 0.356 115.221 115.700 -1.392 0.000 2.527 201 S HA -0.050 4.420 4.470 0.000 0.000 0.222 201 S C 0.702 175.032 174.600 -0.451 0.000 0.985 201 S CA 0.461 57.985 58.200 -1.126 0.000 0.921 201 S CB -0.634 61.724 63.200 -1.403 0.000 0.772 201 S HN 0.196 nan 8.310 nan 0.000 0.529 202 N N 1.348 119.879 118.700 -0.282 0.000 2.801 202 N HA 0.481 5.221 4.740 0.000 0.000 0.235 202 N C -1.383 174.198 175.510 0.119 0.000 1.069 202 N CA -0.544 52.471 53.050 -0.059 0.000 0.946 202 N CB 0.408 38.889 38.487 -0.010 0.000 1.212 202 N HN 0.419 nan 8.380 nan 0.000 0.509 203 L N 1.971 123.236 121.223 0.071 0.000 2.505 203 L HA 0.441 4.781 4.340 0.000 0.000 0.266 203 L C -0.941 175.887 176.870 -0.069 0.000 0.954 203 L CA -0.646 54.237 54.840 0.071 0.000 0.852 203 L CB 1.871 44.029 42.059 0.166 0.000 1.282 203 L HN 0.334 nan 8.230 nan 0.000 0.403 204 Q N 2.987 122.698 119.800 -0.148 0.000 2.288 204 Q HA 0.626 4.966 4.340 0.000 0.000 0.254 204 Q C -1.644 174.011 176.000 -0.576 0.000 0.932 204 Q CA -0.116 55.447 55.803 -0.399 0.000 0.902 204 Q CB 1.522 29.924 28.738 -0.562 0.000 1.203 204 Q HN 0.540 nan 8.270 nan 0.000 0.415 205 V N 5.504 125.058 119.914 -0.600 0.000 2.448 205 V HA 0.458 4.578 4.120 0.000 0.000 0.295 205 V C -0.987 174.744 176.094 -0.605 0.000 1.025 205 V CA -0.606 61.395 62.300 -0.499 0.000 0.859 205 V CB 0.949 32.618 31.823 -0.256 0.000 0.988 205 V HN 0.673 nan 8.190 nan 0.000 0.431 206 F N 2.540 122.343 119.950 -0.244 0.000 2.361 206 F HA 0.396 4.923 4.527 0.000 0.000 0.364 206 F C 0.353 175.979 175.800 -0.290 0.000 1.117 206 F CA -1.230 56.618 58.000 -0.253 0.000 1.071 206 F CB 1.155 40.007 39.000 -0.246 0.000 1.188 206 F HN 0.435 nan 8.300 nan 0.000 0.464 207 D N 3.188 123.548 120.400 -0.067 0.000 2.352 207 D HA 0.403 5.043 4.640 0.000 0.000 0.245 207 D C 0.151 176.313 176.300 -0.230 0.000 1.224 207 D CA 0.141 54.047 54.000 -0.156 0.000 0.879 207 D CB 1.058 41.798 40.800 -0.099 0.000 1.057 207 D HN 0.599 nan 8.370 nan 0.000 0.491 208 A N 4.554 127.125 122.820 -0.414 0.000 2.637 208 A HA 0.168 4.488 4.320 0.000 0.000 0.293 208 A C 1.575 178.973 177.584 -0.309 0.000 1.216 208 A CA -0.415 51.277 52.037 -0.575 0.000 0.956 208 A CB 0.037 18.310 19.000 -1.211 0.000 1.174 208 A HN 0.543 nan 8.150 nan 0.000 0.525 209 R N 0.934 121.322 120.500 -0.187 0.000 2.328 209 R HA -0.092 4.248 4.340 0.000 0.000 0.207 209 R C 1.070 177.328 176.300 -0.070 0.000 1.056 209 R CA 1.195 57.238 56.100 -0.095 0.000 1.016 209 R CB 0.007 30.297 30.300 -0.017 0.000 0.872 209 R HN 0.712 nan 8.270 nan 0.000 0.471 210 N N -0.347 118.325 118.700 -0.047 0.000 2.280 210 N HA -0.046 4.694 4.740 0.000 0.000 0.192 210 N C 0.243 175.785 175.510 0.053 0.000 1.109 210 N CA -0.233 52.824 53.050 0.011 0.000 0.855 210 N CB -0.365 38.141 38.487 0.032 0.000 0.974 210 N HN -0.008 nan 8.380 nan 0.000 0.482 211 C N 0.452 119.769 119.300 0.029 0.000 2.703 211 C HA 0.330 4.790 4.460 0.000 0.000 0.411 211 C C 1.468 176.596 174.990 0.231 0.000 1.290 211 C CA 0.241 59.349 59.018 0.149 0.000 2.054 211 C CB -0.159 27.688 27.740 0.178 0.000 2.732 211 C HN 0.593 nan 8.230 nan 0.000 0.650 212 S N 0.170 116.068 115.700 0.329 0.000 2.784 212 S HA 0.156 4.626 4.470 0.000 0.000 0.266 212 S C 0.260 175.033 174.600 0.288 0.000 1.079 212 S CA 0.396 58.809 58.200 0.355 0.000 0.989 212 S CB 0.332 63.651 63.200 0.199 0.000 0.926 212 S HN 0.982 nan 8.310 nan 0.000 0.497 213 T N -0.619 114.077 114.554 0.237 0.000 2.930 213 T HA 0.832 5.182 4.350 0.000 0.000 0.290 213 T C 1.147 175.933 174.700 0.143 0.000 1.052 213 T CA -0.138 62.050 62.100 0.147 0.000 1.017 213 T CB 1.669 70.608 68.868 0.119 0.000 1.137 213 T HN 0.021 nan 8.240 nan 0.000 0.511 214 A N 0.486 123.366 122.820 0.099 0.000 1.902 214 A HA -0.083 4.237 4.320 0.000 0.000 0.217 214 A C 2.314 179.876 177.584 -0.036 0.000 1.181 214 A CA 2.103 54.191 52.037 0.086 0.000 0.623 214 A CB -1.261 17.885 19.000 0.244 0.000 0.818 214 A HN 0.897 nan 8.150 nan 0.000 0.443 215 Q N 0.293 120.146 119.800 0.090 0.000 2.135 215 Q HA -0.203 4.137 4.340 0.000 0.000 0.204 215 Q C 1.744 177.759 176.000 0.024 0.000 0.981 215 Q CA 2.371 58.196 55.803 0.036 0.000 0.856 215 Q CB -0.402 28.438 28.738 0.170 0.000 0.902 215 Q HN 0.764 nan 8.270 nan 0.000 0.425 216 E N -0.669 119.578 120.200 0.077 0.000 2.106 216 E HA -0.142 4.208 4.350 0.000 0.000 0.192 216 E C 2.043 178.758 176.600 0.191 0.000 0.984 216 E CA 1.253 57.716 56.400 0.106 0.000 0.806 216 E CB -0.133 29.678 29.700 0.186 0.000 0.750 216 E HN 0.455 nan 8.360 nan 0.000 0.458 217 M N 0.046 119.756 119.600 0.184 0.000 2.086 217 M HA -0.160 4.320 4.480 0.000 0.000 0.261 217 M C 2.210 178.591 176.300 0.134 0.000 1.067 217 M CA 1.295 56.716 55.300 0.200 0.000 1.116 217 M CB -0.298 32.236 32.600 -0.110 0.000 1.348 217 M HN 0.118 nan 8.290 nan 0.000 0.407 218 F N 1.390 121.169 119.950 -0.286 0.000 2.126 218 F HA -0.273 4.254 4.527 0.000 0.000 0.299 218 F C 2.277 177.965 175.800 -0.187 0.000 1.096 218 F CA 1.876 59.637 58.000 -0.397 0.000 1.255 218 F CB -0.468 37.966 39.000 -0.944 0.000 0.997 218 F HN 0.166 nan 8.300 nan 0.000 0.479 219 Q N -1.132 118.506 119.800 -0.269 0.000 2.119 219 Q HA -0.200 4.140 4.340 0.000 0.000 0.201 219 Q C 2.208 178.016 176.000 -0.319 0.000 0.972 219 Q CA 1.523 57.110 55.803 -0.361 0.000 0.847 219 Q CB -0.387 28.198 28.738 -0.255 0.000 0.903 219 Q HN 0.524 nan 8.270 nan 0.000 0.433 220 H N 0.225 119.227 119.070 -0.112 0.000 2.326 220 H HA -0.051 4.506 4.556 0.000 0.000 0.301 220 H C 2.144 177.397 175.328 -0.125 0.000 1.081 220 H CA 1.200 57.183 56.048 -0.108 0.000 1.334 220 H CB -0.025 29.751 29.762 0.023 0.000 1.385 220 H HN 0.243 nan 8.280 nan 0.000 0.504 221 I N -0.036 120.577 120.570 0.072 0.000 2.226 221 I HA -0.295 3.875 4.170 0.000 0.000 0.245 221 I C 2.674 178.724 176.117 -0.111 0.000 1.100 221 I CA 0.792 62.090 61.300 -0.004 0.000 1.374 221 I CB -0.254 37.751 38.000 0.009 0.000 1.057 221 I HN 0.216 nan 8.210 nan 0.000 0.413 222 C N 0.234 119.366 119.300 -0.280 0.000 2.429 222 C HA -0.134 4.326 4.460 0.000 0.000 0.277 222 C C 2.968 177.854 174.990 -0.173 0.000 1.262 222 C CA 0.602 59.443 59.018 -0.295 0.000 1.733 222 C CB -1.097 26.343 27.740 -0.501 0.000 2.010 222 C HN 0.451 nan 8.230 nan 0.000 0.483 223 R N 0.218 120.594 120.500 -0.207 0.000 2.096 223 R HA -0.144 4.196 4.340 0.000 0.000 0.235 223 R C 2.008 178.196 176.300 -0.187 0.000 1.127 223 R CA 1.895 57.859 56.100 -0.226 0.000 0.968 223 R CB -0.838 29.253 30.300 -0.349 0.000 0.861 223 R HN 0.775 nan 8.270 nan 0.000 0.440 224 H N -0.005 118.903 119.070 -0.269 0.000 2.270 224 H HA -0.044 4.512 4.556 0.000 0.000 0.299 224 H C 2.268 177.642 175.328 0.077 0.000 1.077 224 H CA 2.336 58.334 56.048 -0.083 0.000 1.294 224 H CB -0.130 29.618 29.762 -0.023 0.000 1.371 224 H HN 0.121 nan 8.280 nan 0.000 0.491 225 I N 0.030 120.748 120.570 0.246 0.000 2.151 225 I HA -0.285 3.885 4.170 0.000 0.000 0.243 225 I C 2.408 178.600 176.117 0.124 0.000 1.080 225 I CA 1.015 62.412 61.300 0.162 0.000 1.339 225 I CB -0.253 37.770 38.000 0.039 0.000 1.039 225 I HN 0.340 nan 8.210 nan 0.000 0.409 226 L N 0.228 121.496 121.223 0.075 0.000 2.017 226 L HA -0.276 4.064 4.340 0.000 0.000 0.208 226 L C 2.485 179.410 176.870 0.091 0.000 1.073 226 L CA 1.959 56.832 54.840 0.055 0.000 0.745 226 L CB -1.042 41.026 42.059 0.016 0.000 0.894 226 L HN 0.281 nan 8.230 nan 0.000 0.432 227 Y N 0.079 120.397 120.300 0.030 0.000 2.145 227 Y HA -0.191 4.359 4.550 0.000 0.000 0.286 227 Y C 2.358 178.310 175.900 0.087 0.000 1.145 227 Y CA 2.048 60.194 58.100 0.077 0.000 1.148 227 Y CB -0.572 37.995 38.460 0.178 0.000 0.981 227 Y HN 0.232 nan 8.280 nan 0.000 0.507 228 A N -0.586 122.336 122.820 0.170 0.000 1.902 228 A HA -0.173 4.147 4.320 0.000 0.000 0.217 228 A C 2.205 179.809 177.584 0.034 0.000 1.181 228 A CA 2.260 54.359 52.037 0.102 0.000 0.623 228 A CB -1.328 17.826 19.000 0.257 0.000 0.818 228 A HN 0.529 nan 8.150 nan 0.000 0.443 229 T N -0.164 114.422 114.554 0.053 0.000 2.777 229 T HA -0.117 4.233 4.350 0.000 0.000 0.266 229 T C 1.136 175.833 174.700 -0.004 0.000 1.040 229 T CA 1.245 63.373 62.100 0.048 0.000 1.141 229 T CB -0.440 68.460 68.868 0.053 0.000 0.868 229 T HN 0.650 nan 8.240 nan 0.000 0.444 230 N N 1.571 120.238 118.700 -0.055 0.000 2.708 230 N HA -0.266 4.474 4.740 0.000 0.000 0.251 230 N C -0.067 175.415 175.510 -0.047 0.000 1.017 230 N CA 0.961 53.959 53.050 -0.087 0.000 0.742 230 N CB -1.859 36.526 38.487 -0.170 0.000 0.943 230 N HN 0.444 nan 8.380 nan 0.000 0.539 231 N N -1.530 117.156 118.700 -0.023 0.000 2.754 231 N HA -0.192 4.548 4.740 0.000 0.000 0.248 231 N C 0.999 176.497 175.510 -0.019 0.000 1.093 231 N CA 2.387 55.426 53.050 -0.018 0.000 0.699 231 N CB -1.252 37.221 38.487 -0.023 0.000 1.016 231 N HN 1.251 nan 8.380 nan 0.000 0.552 232 G N -0.828 107.968 108.800 -0.006 0.000 2.284 232 G HA2 -0.348 3.612 3.960 0.000 0.000 0.230 232 G HA3 -0.348 3.612 3.960 0.000 0.000 0.230 232 G C 0.112 175.013 174.900 0.002 0.000 1.021 232 G CA 0.214 45.314 45.100 0.000 0.000 0.619 232 G HN 0.698 nan 8.290 nan 0.000 0.510 233 N N 2.279 120.964 118.700 -0.024 0.000 3.050 233 N HA 0.289 5.029 4.740 0.000 0.000 0.289 233 N C 0.897 176.391 175.510 -0.026 0.000 1.209 233 N CA -0.464 52.558 53.050 -0.047 0.000 1.154 233 N CB -0.534 37.915 38.487 -0.063 0.000 1.444 233 N HN 0.376 nan 8.380 nan 0.000 0.529 234 I N 1.726 122.318 120.570 0.036 0.000 2.845 234 I HA -0.109 4.061 4.170 0.000 0.000 0.296 234 I C 0.830 177.063 176.117 0.194 0.000 1.216 234 I CA 0.798 62.181 61.300 0.139 0.000 1.438 234 I CB -0.286 37.888 38.000 0.290 0.000 1.342 234 I HN 0.272 nan 8.210 nan 0.000 0.577 235 R N 3.803 124.384 120.500 0.136 0.000 2.561 235 R HA 0.390 4.730 4.340 0.000 0.000 0.297 235 R C -0.478 175.925 176.300 0.172 0.000 0.969 235 R CA -0.673 55.512 56.100 0.141 0.000 0.879 235 R CB 1.977 32.205 30.300 -0.120 0.000 1.178 235 R HN 0.547 nan 8.270 nan 0.000 0.445 236 S N 1.479 117.281 115.700 0.170 0.000 2.531 236 S HA 0.509 4.979 4.470 0.000 0.000 0.279 236 S C -0.314 174.303 174.600 0.029 0.000 1.305 236 S CA -0.197 58.015 58.200 0.020 0.000 1.058 236 S CB 1.223 64.371 63.200 -0.087 0.000 0.899 236 S HN 0.696 nan 8.310 nan 0.000 0.493 237 A N 2.838 125.640 122.820 -0.030 0.000 2.602 237 A HA 0.862 5.182 4.320 0.000 0.000 0.290 237 A C -1.365 176.189 177.584 -0.050 0.000 1.114 237 A CA -0.673 51.270 52.037 -0.157 0.000 0.683 237 A CB 1.196 20.038 19.000 -0.263 0.000 1.281 237 A HN 0.793 nan 8.150 nan 0.000 0.416 238 I N 0.172 120.692 120.570 -0.084 0.000 2.722 238 I HA 0.563 4.733 4.170 0.000 0.000 0.292 238 I C -1.260 174.929 176.117 0.121 0.000 1.267 238 I CA -0.071 61.328 61.300 0.166 0.000 1.036 238 I CB 2.384 40.406 38.000 0.036 0.000 1.281 238 I HN 0.611 nan 8.210 nan 0.000 0.423 239 T N 6.342 121.016 114.554 0.200 0.000 2.770 239 T HA 0.449 4.799 4.350 0.000 0.000 0.283 239 T C -0.624 173.877 174.700 -0.331 0.000 0.988 239 T CA -0.378 61.693 62.100 -0.048 0.000 0.957 239 T CB 1.505 70.320 68.868 -0.089 0.000 0.930 239 T HN 0.258 nan 8.240 nan 0.000 0.443 240 V N 5.055 124.725 119.914 -0.406 0.000 2.350 240 V HA 0.442 4.562 4.120 0.000 0.000 0.276 240 V C -0.263 175.541 176.094 -0.482 0.000 1.028 240 V CA -0.730 61.328 62.300 -0.404 0.000 0.860 240 V CB -0.052 31.505 31.823 -0.444 0.000 0.990 240 V HN 0.764 nan 8.190 nan 0.000 0.453 241 F N 5.067 124.953 119.950 -0.107 0.000 2.375 241 F HA 0.456 4.983 4.527 0.000 0.000 0.317 241 F C -1.793 173.932 175.800 -0.126 0.000 1.124 241 F CA -2.458 55.415 58.000 -0.211 0.000 1.050 241 F CB 0.657 39.534 39.000 -0.204 0.000 1.314 241 F HN 0.302 nan 8.300 nan 0.000 0.511 242 P HA -0.047 nan 4.420 nan 0.000 0.261 242 P C -1.081 176.253 177.300 0.057 0.000 1.183 242 P CA 0.004 63.035 63.100 -0.114 0.000 0.761 242 P CB 0.202 31.677 31.700 -0.374 0.000 0.785 243 Q N 3.566 123.350 119.800 -0.027 0.000 2.474 243 Q HA 0.046 4.386 4.340 0.000 0.000 0.256 243 Q C 0.167 176.061 176.000 -0.177 0.000 1.048 243 Q CA -0.425 55.104 55.803 -0.456 0.000 0.922 243 Q CB 0.678 28.827 28.738 -0.981 0.000 1.288 243 Q HN 0.343 nan 8.270 nan 0.000 0.484 244 R N 1.139 121.527 120.500 -0.187 0.000 2.522 244 R HA -0.001 4.339 4.340 0.000 0.000 0.284 244 R C 0.291 176.565 176.300 -0.044 0.000 1.032 244 R CA 0.722 56.795 56.100 -0.045 0.000 1.049 244 R CB 0.551 30.821 30.300 -0.050 0.000 0.956 244 R HN 0.931 nan 8.270 nan 0.000 0.422 245 S N 2.618 118.342 115.700 0.040 0.000 2.460 245 S HA -0.056 4.414 4.470 0.000 0.000 0.185 245 S C 0.826 175.460 174.600 0.056 0.000 0.908 245 S CA 0.456 58.685 58.200 0.048 0.000 0.894 245 S CB -0.109 63.148 63.200 0.095 0.000 0.855 245 S HN 0.831 nan 8.310 nan 0.000 0.574 246 D N -0.413 120.051 120.400 0.106 0.000 2.398 246 D HA 0.361 5.002 4.640 0.000 0.000 0.210 246 D C 1.332 177.645 176.300 0.023 0.000 1.094 246 D CA 0.591 54.632 54.000 0.069 0.000 0.839 246 D CB -0.013 40.847 40.800 0.100 0.000 0.963 246 D HN 0.826 nan 8.370 nan 0.000 0.506 247 G N 0.745 109.557 108.800 0.020 0.000 2.195 247 G HA2 -0.340 3.620 3.960 0.000 0.000 0.246 247 G HA3 -0.340 3.620 3.960 0.000 0.000 0.246 247 G C 1.027 175.885 174.900 -0.070 0.000 0.984 247 G CA 0.359 45.449 45.100 -0.017 0.000 0.633 247 G HN 0.432 nan 8.290 nan 0.000 0.525 248 K N -0.149 120.156 120.400 -0.157 0.000 2.353 248 K HA 0.220 4.540 4.320 0.000 0.000 0.195 248 K C 0.612 176.896 176.600 -0.526 0.000 1.031 248 K CA 0.209 56.286 56.287 -0.350 0.000 1.079 248 K CB 0.245 32.467 32.500 -0.463 0.000 0.857 248 K HN 0.531 nan 8.250 nan 0.000 0.535 249 H N 0.823 119.895 119.070 0.005 0.000 2.505 249 H HA 0.193 4.749 4.556 0.000 0.000 0.260 249 H C -0.814 174.520 175.328 0.011 0.000 1.168 249 H CA -0.580 55.463 56.048 -0.008 0.000 0.945 249 H CB 0.153 29.928 29.762 0.022 0.000 1.800 249 H HN 0.023 nan 8.280 nan 0.000 0.586 250 D N 0.858 121.297 120.400 0.065 0.000 2.425 250 D HA 0.039 4.679 4.640 0.000 0.000 0.247 250 D C 0.075 176.417 176.300 0.069 0.000 1.147 250 D CA 0.357 54.423 54.000 0.111 0.000 0.879 250 D CB 0.581 41.422 40.800 0.069 0.000 1.179 250 D HN 0.062 nan 8.370 nan 0.000 0.456 251 F N 2.806 122.787 119.950 0.051 0.000 2.411 251 F HA 0.352 4.879 4.527 0.000 0.000 0.350 251 F C 1.006 176.814 175.800 0.013 0.000 1.114 251 F CA -0.143 57.857 58.000 -0.000 0.000 1.135 251 F CB 0.751 39.738 39.000 -0.023 0.000 1.120 251 F HN -0.116 nan 8.300 nan 0.000 0.495 252 R N 3.645 124.225 120.500 0.133 0.000 2.698 252 R HA 0.520 4.860 4.340 0.000 0.000 0.275 252 R C -1.800 174.622 176.300 0.203 0.000 1.001 252 R CA -1.146 55.053 56.100 0.166 0.000 0.896 252 R CB 2.199 32.609 30.300 0.182 0.000 1.218 252 R HN 0.493 nan 8.270 nan 0.000 0.462 253 L N 1.663 123.001 121.223 0.192 0.000 2.287 253 L HA 0.366 4.706 4.340 0.000 0.000 0.287 253 L C 0.556 177.628 176.870 0.337 0.000 1.022 253 L CA -0.173 54.793 54.840 0.211 0.000 0.814 253 L CB 0.979 43.096 42.059 0.096 0.000 1.217 253 L HN 0.581 nan 8.230 nan 0.000 0.420 254 W N 0.638 121.998 121.300 0.099 0.000 2.584 254 W HA 0.028 4.688 4.660 0.000 0.000 0.264 254 W C 0.709 177.301 176.519 0.121 0.000 1.264 254 W CA -0.448 57.039 57.345 0.238 0.000 1.306 254 W CB -0.911 28.808 29.460 0.431 0.000 1.110 254 W HN 0.479 nan 8.180 nan 0.000 0.606 255 N N -0.112 118.681 118.700 0.156 0.000 2.453 255 N HA 0.029 4.769 4.740 0.000 0.000 0.253 255 N C 1.345 176.702 175.510 -0.255 0.000 1.252 255 N CA 0.848 53.718 53.050 -0.300 0.000 0.917 255 N CB 0.716 39.129 38.487 -0.124 0.000 1.117 255 N HN -0.124 nan 8.380 nan 0.000 0.442 256 S N 0.165 115.652 115.700 -0.355 0.000 2.439 256 S HA 0.046 4.516 4.470 0.000 0.000 0.224 256 S C 0.190 174.688 174.600 -0.170 0.000 1.029 256 S CA 0.423 58.506 58.200 -0.194 0.000 0.946 256 S CB 0.054 63.165 63.200 -0.148 0.000 0.797 256 S HN 0.654 nan 8.310 nan 0.000 0.504 257 Q N -0.643 119.042 119.800 -0.192 0.000 2.416 257 Q HA 0.523 4.863 4.340 0.000 0.000 0.281 257 Q C 0.130 176.009 176.000 -0.202 0.000 1.067 257 Q CA -0.567 55.127 55.803 -0.181 0.000 0.809 257 Q CB 1.941 30.613 28.738 -0.109 0.000 1.418 257 Q HN 0.044 nan 8.270 nan 0.000 0.411 258 L N 0.462 121.559 121.223 -0.209 0.000 1.989 258 L HA -0.046 4.294 4.340 0.000 0.000 0.211 258 L C 0.611 177.341 176.870 -0.232 0.000 1.071 258 L CA 1.191 55.918 54.840 -0.188 0.000 0.749 258 L CB -0.012 41.933 42.059 -0.190 0.000 0.890 258 L HN 0.520 nan 8.230 nan 0.000 0.431 259 I N -0.017 120.338 120.570 -0.359 0.000 2.354 259 I HA 0.411 4.581 4.170 0.000 0.000 0.292 259 I C -0.254 175.265 176.117 -0.995 0.000 0.989 259 I CA -0.215 60.701 61.300 -0.639 0.000 1.188 259 I CB 1.372 38.913 38.000 -0.765 0.000 1.342 259 I HN 0.117 nan 8.210 nan 0.000 0.457 260 R N 4.522 124.540 120.500 -0.804 0.000 2.594 260 R HA 0.480 4.820 4.340 0.000 0.000 0.265 260 R C -1.812 174.279 176.300 -0.347 0.000 1.070 260 R CA -0.609 55.145 56.100 -0.576 0.000 0.909 260 R CB 1.291 31.459 30.300 -0.221 0.000 1.243 260 R HN 0.270 nan 8.270 nan 0.000 0.455 261 Y N 1.307 121.606 120.300 -0.002 0.000 2.301 261 Y HA 0.627 5.177 4.550 0.000 0.000 0.325 261 Y C 0.826 176.755 175.900 0.048 0.000 1.203 261 Y CA -0.370 57.781 58.100 0.085 0.000 1.255 261 Y CB 1.404 40.019 38.460 0.259 0.000 1.232 261 Y HN 0.735 nan 8.280 nan 0.000 0.501 262 A N 1.198 124.126 122.820 0.180 0.000 2.304 262 A HA 0.681 5.001 4.320 0.000 0.000 0.271 262 A C 0.371 177.787 177.584 -0.281 0.000 1.091 262 A CA 0.131 52.096 52.037 -0.120 0.000 0.812 262 A CB -0.038 18.839 19.000 -0.206 0.000 1.056 262 A HN 0.902 nan 8.150 nan 0.000 0.489 263 G N 0.023 108.562 108.800 -0.434 0.000 2.626 263 G HA2 0.569 4.530 3.960 0.000 0.000 0.304 263 G HA3 0.569 4.530 3.960 0.000 0.000 0.304 263 G C -1.281 173.358 174.900 -0.435 0.000 1.385 263 G CA -0.253 44.642 45.100 -0.341 0.000 0.957 263 G HN 0.526 nan 8.290 nan 0.000 0.504 264 Y N 0.923 121.242 120.300 0.031 0.000 2.352 264 Y HA 0.393 4.943 4.550 0.000 0.000 0.339 264 Y C 0.553 176.495 175.900 0.070 0.000 0.992 264 Y CA -1.031 57.102 58.100 0.055 0.000 1.100 264 Y CB 2.433 40.952 38.460 0.098 0.000 1.192 264 Y HN 0.283 nan 8.280 nan 0.000 0.458 265 Q N 4.442 124.374 119.800 0.221 0.000 2.844 265 Q HA 0.196 4.536 4.340 0.000 0.000 0.235 265 Q C -0.394 175.699 176.000 0.155 0.000 1.336 265 Q CA -0.305 55.583 55.803 0.141 0.000 1.026 265 Q CB 0.086 28.882 28.738 0.097 0.000 1.513 265 Q HN 0.677 nan 8.270 nan 0.000 0.577 266 M N 2.078 121.773 119.600 0.158 0.000 2.235 266 M HA -0.069 4.411 4.480 0.000 0.000 0.316 266 M C -1.167 175.160 176.300 0.044 0.000 1.035 266 M CA -1.159 54.203 55.300 0.102 0.000 1.084 266 M CB -0.693 31.949 32.600 0.071 0.000 1.529 266 M HN 0.119 nan 8.290 nan 0.000 0.440 267 P HA -0.197 nan 4.420 nan 0.000 0.215 267 P C 0.437 177.731 177.300 -0.009 0.000 1.163 267 P CA 1.668 64.757 63.100 -0.019 0.000 0.894 267 P CB -0.121 31.545 31.700 -0.058 0.000 0.791 268 D N -2.064 118.328 120.400 -0.012 0.000 2.390 268 D HA 0.032 4.672 4.640 0.000 0.000 0.235 268 D C 1.425 177.728 176.300 0.004 0.000 1.040 268 D CA 0.989 54.984 54.000 -0.007 0.000 0.923 268 D CB -1.116 39.677 40.800 -0.012 0.000 0.886 268 D HN 0.314 nan 8.370 nan 0.000 0.532 269 G N -0.213 108.595 108.800 0.013 0.000 2.253 269 G HA2 -0.295 3.665 3.960 0.000 0.000 0.251 269 G HA3 -0.295 3.665 3.960 0.000 0.000 0.251 269 G C 0.571 175.486 174.900 0.025 0.000 0.998 269 G CA 0.456 45.568 45.100 0.019 0.000 0.621 269 G HN 0.851 nan 8.290 nan 0.000 0.524 270 T N 0.469 115.037 114.554 0.023 0.000 2.907 270 T HA 0.639 4.989 4.350 0.000 0.000 0.298 270 T C 0.536 175.260 174.700 0.040 0.000 1.017 270 T CA -0.676 61.439 62.100 0.026 0.000 1.118 270 T CB 1.578 70.457 68.868 0.018 0.000 0.948 270 T HN 0.365 nan 8.240 nan 0.000 0.531 271 I N 2.692 123.282 120.570 0.033 0.000 2.428 271 I HA 0.409 4.579 4.170 0.000 0.000 0.289 271 I C 0.712 176.848 176.117 0.031 0.000 1.019 271 I CA -0.361 60.961 61.300 0.038 0.000 1.351 271 I CB 0.997 39.004 38.000 0.011 0.000 1.412 271 I HN 0.798 nan 8.210 nan 0.000 0.513 272 R N 3.129 123.673 120.500 0.073 0.000 2.670 272 R HA 0.605 4.945 4.340 0.000 0.000 0.289 272 R C 0.180 176.504 176.300 0.041 0.000 0.965 272 R CA 0.250 56.397 56.100 0.078 0.000 0.899 272 R CB 1.814 32.218 30.300 0.173 0.000 1.173 272 R HN 0.894 nan 8.270 nan 0.000 0.456 273 G N 2.669 111.420 108.800 -0.081 0.000 2.512 273 G HA2 -0.274 3.686 3.960 0.000 0.000 0.240 273 G HA3 -0.274 3.686 3.960 0.000 0.000 0.240 273 G C -1.019 173.599 174.900 -0.470 0.000 1.246 273 G CA 0.085 45.090 45.100 -0.159 0.000 0.919 273 G HN 0.650 nan 8.290 nan 0.000 0.577 274 D N 1.794 122.062 120.400 -0.221 0.000 2.393 274 D HA 0.570 5.210 4.640 0.000 0.000 0.232 274 D C 1.517 177.760 176.300 -0.095 0.000 1.192 274 D CA 0.812 54.709 54.000 -0.172 0.000 0.882 274 D CB 0.660 41.629 40.800 0.283 0.000 1.038 274 D HN 0.935 nan 8.370 nan 0.000 0.499 275 A N 3.635 126.374 122.820 -0.134 0.000 2.131 275 A HA -0.099 4.221 4.320 0.000 0.000 0.220 275 A C 1.977 179.568 177.584 0.012 0.000 1.158 275 A CA 1.639 53.647 52.037 -0.049 0.000 0.665 275 A CB -0.144 18.832 19.000 -0.040 0.000 0.795 275 A HN 0.587 nan 8.150 nan 0.000 0.460 276 A N -0.537 122.314 122.820 0.051 0.000 2.119 276 A HA 0.087 4.407 4.320 0.000 0.000 0.216 276 A C 1.946 179.581 177.584 0.084 0.000 1.152 276 A CA 1.707 53.794 52.037 0.082 0.000 0.708 276 A CB -0.688 18.385 19.000 0.122 0.000 0.805 276 A HN 0.736 nan 8.150 nan 0.000 0.460 277 T N -2.897 111.702 114.554 0.075 0.000 3.176 277 T HA 0.384 4.734 4.350 0.000 0.000 0.263 277 T C 1.349 176.072 174.700 0.039 0.000 1.021 277 T CA -0.103 62.048 62.100 0.085 0.000 0.905 277 T CB -0.334 68.597 68.868 0.104 0.000 1.057 277 T HN 0.217 nan 8.240 nan 0.000 0.558 278 L N 0.801 122.031 121.223 0.012 0.000 1.971 278 L HA -0.148 4.192 4.340 0.000 0.000 0.215 278 L C 2.937 179.796 176.870 -0.019 0.000 1.072 278 L CA 2.265 57.096 54.840 -0.014 0.000 0.758 278 L CB -0.429 41.633 42.059 0.006 0.000 0.889 278 L HN 0.439 nan 8.230 nan 0.000 0.433 279 E N -0.309 119.890 120.200 -0.001 0.000 2.031 279 E HA -0.292 4.058 4.350 0.000 0.000 0.193 279 E C 2.169 178.693 176.600 -0.126 0.000 0.994 279 E CA 1.549 57.920 56.400 -0.049 0.000 0.800 279 E CB -0.204 29.485 29.700 -0.018 0.000 0.752 279 E HN 0.353 nan 8.360 nan 0.000 0.447 280 F N 1.356 121.164 119.950 -0.236 0.000 2.216 280 F HA -0.158 4.369 4.527 0.000 0.000 0.300 280 F C 2.247 177.920 175.800 -0.211 0.000 1.085 280 F CA 1.806 59.626 58.000 -0.300 0.000 1.326 280 F CB -0.481 38.400 39.000 -0.198 0.000 1.027 280 F HN -0.004 nan 8.300 nan 0.000 0.497 281 T N -0.264 114.185 114.554 -0.175 0.000 2.746 281 T HA -0.255 4.095 4.350 0.000 0.000 0.267 281 T C 1.761 176.354 174.700 -0.178 0.000 1.039 281 T CA 1.635 63.597 62.100 -0.229 0.000 1.142 281 T CB -0.323 68.434 68.868 -0.185 0.000 0.866 281 T HN 0.235 nan 8.240 nan 0.000 0.444 282 Q N 0.772 120.489 119.800 -0.138 0.000 2.084 282 Q HA -0.058 4.282 4.340 0.000 0.000 0.202 282 Q C 2.124 178.037 176.000 -0.145 0.000 0.978 282 Q CA 1.190 56.940 55.803 -0.088 0.000 0.844 282 Q CB -0.795 27.902 28.738 -0.068 0.000 0.898 282 Q HN 0.412 nan 8.270 nan 0.000 0.426 283 L N -0.283 120.779 121.223 -0.269 0.000 2.079 283 L HA -0.178 4.162 4.340 0.000 0.000 0.210 283 L C 2.065 178.775 176.870 -0.266 0.000 1.081 283 L CA 1.822 56.497 54.840 -0.275 0.000 0.752 283 L CB -1.029 40.797 42.059 -0.388 0.000 0.896 283 L HN 0.397 nan 8.230 nan 0.000 0.433 284 C N -0.545 118.516 119.300 -0.399 0.000 2.440 284 C HA -0.092 4.368 4.460 0.000 0.000 0.278 284 C C 2.726 177.736 174.990 0.032 0.000 1.295 284 C CA 0.742 59.586 59.018 -0.290 0.000 1.738 284 C CB -0.919 26.505 27.740 -0.527 0.000 1.987 284 C HN 0.583 nan 8.230 nan 0.000 0.492 285 I N 0.994 121.616 120.570 0.086 0.000 2.353 285 I HA -0.141 4.029 4.170 0.000 0.000 0.248 285 I C 1.790 177.914 176.117 0.012 0.000 1.119 285 I CA 1.377 62.744 61.300 0.111 0.000 1.417 285 I CB -0.539 37.514 38.000 0.088 0.000 1.078 285 I HN 0.271 nan 8.210 nan 0.000 0.421 286 D N 0.738 121.116 120.400 -0.037 0.000 2.348 286 D HA -0.023 4.617 4.640 0.000 0.000 0.216 286 D C 1.805 178.057 176.300 -0.081 0.000 0.970 286 D CA 0.981 54.940 54.000 -0.068 0.000 0.889 286 D CB 0.101 40.846 40.800 -0.092 0.000 0.912 286 D HN 0.342 nan 8.370 nan 0.000 0.524 287 L N -1.197 119.988 121.223 -0.063 0.000 2.728 287 L HA 0.303 4.643 4.340 0.000 0.000 0.238 287 L C 1.298 178.137 176.870 -0.051 0.000 1.143 287 L CA 0.129 54.928 54.840 -0.068 0.000 0.937 287 L CB 0.480 42.490 42.059 -0.082 0.000 1.225 287 L HN 0.078 nan 8.230 nan 0.000 0.507 288 G N -0.880 107.907 108.800 -0.021 0.000 2.179 288 G HA2 -0.288 3.672 3.960 0.000 0.000 0.220 288 G HA3 -0.288 3.672 3.960 0.000 0.000 0.220 288 G C -0.237 174.680 174.900 0.028 0.000 0.990 288 G CA -0.447 44.641 45.100 -0.020 0.000 0.646 288 G HN 0.283 nan 8.290 nan 0.000 0.517 289 W N 3.287 124.516 121.300 -0.118 0.000 2.238 289 W HA 0.653 5.313 4.660 0.000 0.000 0.321 289 W C 0.145 176.621 176.519 -0.072 0.000 1.293 289 W CA -0.815 56.469 57.345 -0.102 0.000 1.204 289 W CB 0.731 30.122 29.460 -0.115 0.000 1.167 289 W HN -0.094 nan 8.180 nan 0.000 0.553 290 K N 8.644 128.583 120.400 -0.769 0.000 2.284 290 K HA 0.205 4.525 4.320 0.000 0.000 0.287 290 K C -2.297 173.525 176.600 -1.297 0.000 1.081 290 K CA -1.843 53.995 56.287 -0.747 0.000 0.910 290 K CB 0.270 32.504 32.500 -0.442 0.000 1.088 290 K HN 0.344 nan 8.250 nan 0.000 0.478 291 P HA 0.210 nan 4.420 nan 0.000 0.276 291 P C -0.216 176.681 177.300 -0.672 0.000 1.235 291 P CA -0.226 62.273 63.100 -1.000 0.000 0.772 291 P CB 0.793 32.035 31.700 -0.762 0.000 0.871 292 R N 1.744 121.945 120.500 -0.498 0.000 2.393 292 R HA 0.134 4.475 4.340 0.000 0.000 0.244 292 R C 0.004 176.181 176.300 -0.205 0.000 0.920 292 R CA -0.330 55.641 56.100 -0.215 0.000 1.076 292 R CB -0.497 29.768 30.300 -0.058 0.000 1.119 292 R HN 0.435 nan 8.270 nan 0.000 0.524 293 Y N -0.128 119.708 120.300 -0.773 0.000 3.007 293 Y HA -0.303 4.247 4.550 0.000 0.000 0.212 293 Y C 0.923 176.600 175.900 -0.371 0.000 1.180 293 Y CA 0.498 57.959 58.100 -1.064 0.000 1.076 293 Y CB -1.756 36.306 38.460 -0.665 0.000 1.254 293 Y HN 0.249 nan 8.280 nan 0.000 0.534 294 G N -0.421 108.402 108.800 0.039 0.000 2.667 294 G HA2 0.566 4.526 3.960 0.000 0.000 0.310 294 G HA3 0.566 4.526 3.960 0.000 0.000 0.310 294 G C 0.533 175.526 174.900 0.155 0.000 1.259 294 G CA -0.974 44.198 45.100 0.121 0.000 1.019 294 G HN 0.275 nan 8.290 nan 0.000 0.496 295 R N -1.263 119.210 120.500 -0.045 0.000 2.127 295 R HA 0.093 4.433 4.340 0.000 0.000 0.217 295 R C -0.085 175.834 176.300 -0.634 0.000 1.074 295 R CA 0.899 56.794 56.100 -0.342 0.000 0.991 295 R CB 0.017 29.962 30.300 -0.592 0.000 0.895 295 R HN 0.372 nan 8.270 nan 0.000 0.450 296 F N 0.942 120.861 119.950 -0.052 0.000 2.577 296 F HA 0.259 4.786 4.527 0.000 0.000 0.342 296 F C -0.852 174.896 175.800 -0.087 0.000 1.479 296 F CA -1.295 56.409 58.000 -0.494 0.000 1.110 296 F CB 0.597 39.128 39.000 -0.783 0.000 1.306 296 F HN -0.303 nan 8.300 nan 0.000 0.554 297 D N 1.582 122.163 120.400 0.302 0.000 2.313 297 D HA 0.192 4.832 4.640 0.000 0.000 0.239 297 D C 0.175 176.751 176.300 0.460 0.000 1.142 297 D CA 0.016 54.262 54.000 0.411 0.000 0.847 297 D CB 2.290 43.390 40.800 0.500 0.000 1.082 297 D HN -0.036 nan 8.370 nan 0.000 0.480 298 V N 4.083 124.240 119.914 0.405 0.000 2.450 298 V HA -0.030 4.090 4.120 0.000 0.000 0.281 298 V C 1.050 177.187 176.094 0.072 0.000 1.019 298 V CA -0.183 62.241 62.300 0.206 0.000 1.062 298 V CB -0.045 31.852 31.823 0.122 0.000 0.979 298 V HN 0.344 nan 8.190 nan 0.000 0.477 299 L N 8.723 129.889 121.223 -0.095 0.000 2.467 299 L HA 0.270 4.610 4.340 0.000 0.000 0.270 299 L C -1.642 175.040 176.870 -0.315 0.000 1.205 299 L CA -1.134 53.493 54.840 -0.355 0.000 0.828 299 L CB 0.452 42.388 42.059 -0.206 0.000 1.101 299 L HN 0.474 nan 8.230 nan 0.000 0.479 300 P HA 0.210 nan 4.420 nan 0.000 0.281 300 P C -1.065 176.184 177.300 -0.085 0.000 1.264 300 P CA -0.616 62.317 63.100 -0.278 0.000 0.824 300 P CB 1.039 32.459 31.700 -0.467 0.000 1.092 301 L N 1.177 122.436 121.223 0.061 0.000 2.360 301 L HA 0.221 4.561 4.340 0.000 0.000 0.276 301 L C 0.225 177.188 176.870 0.154 0.000 1.121 301 L CA -0.615 54.312 54.840 0.145 0.000 0.845 301 L CB 0.807 43.003 42.059 0.228 0.000 1.143 301 L HN 0.093 nan 8.230 nan 0.000 0.452 302 V N 6.153 126.163 119.914 0.162 0.000 2.294 302 V HA 0.327 4.447 4.120 0.000 0.000 0.272 302 V C 0.140 176.241 176.094 0.011 0.000 1.027 302 V CA -0.316 62.013 62.300 0.047 0.000 0.823 302 V CB 1.037 32.915 31.823 0.092 0.000 1.030 302 V HN 0.495 nan 8.190 nan 0.000 0.457 303 L N 4.827 126.056 121.223 0.010 0.000 2.307 303 L HA 0.607 4.947 4.340 0.000 0.000 0.284 303 L C -0.032 176.747 176.870 -0.152 0.000 1.023 303 L CA -0.366 54.463 54.840 -0.018 0.000 0.810 303 L CB 1.655 43.747 42.059 0.055 0.000 1.231 303 L HN 0.596 nan 8.230 nan 0.000 0.423 304 Q N 3.106 122.814 119.800 -0.154 0.000 2.368 304 Q HA 0.673 5.013 4.340 0.000 0.000 0.263 304 Q C -1.243 174.614 176.000 -0.238 0.000 1.009 304 Q CA -0.563 55.124 55.803 -0.193 0.000 0.818 304 Q CB 1.841 30.558 28.738 -0.035 0.000 1.239 304 Q HN 0.783 nan 8.270 nan 0.000 0.464 305 A N 3.755 126.373 122.820 -0.337 0.000 2.330 305 A HA 0.394 4.714 4.320 0.000 0.000 0.327 305 A C -0.086 177.008 177.584 -0.816 0.000 1.155 305 A CA -0.202 51.404 52.037 -0.719 0.000 0.803 305 A CB 0.989 19.787 19.000 -0.337 0.000 1.208 305 A HN 1.023 nan 8.150 nan 0.000 0.477 306 D N 1.028 120.504 120.400 -1.540 0.000 2.733 306 D HA -0.149 4.491 4.640 0.000 0.000 0.232 306 D C 1.237 177.418 176.300 -0.198 0.000 1.161 306 D CA 2.801 56.423 54.000 -0.630 0.000 0.653 306 D CB -1.076 39.572 40.800 -0.254 0.000 1.052 306 D HN 2.076 nan 8.370 nan 0.000 0.424 307 G N -1.749 106.917 108.800 -0.222 0.000 2.212 307 G HA2 -0.382 3.578 3.960 0.000 0.000 0.266 307 G HA3 -0.382 3.578 3.960 0.000 0.000 0.266 307 G C 0.470 175.344 174.900 -0.044 0.000 0.978 307 G CA 0.656 45.705 45.100 -0.085 0.000 0.632 307 G HN 0.566 nan 8.290 nan 0.000 0.537 308 Q N 0.818 120.565 119.800 -0.088 0.000 2.841 308 Q HA 0.290 4.630 4.340 0.000 0.000 0.198 308 Q C 0.129 176.093 176.000 -0.060 0.000 1.135 308 Q CA 0.078 55.851 55.803 -0.050 0.000 1.167 308 Q CB 0.092 28.788 28.738 -0.070 0.000 1.288 308 Q HN 0.412 nan 8.270 nan 0.000 0.670 309 D N 1.838 122.204 120.400 -0.057 0.000 2.345 309 D HA 0.189 4.829 4.640 0.000 0.000 0.247 309 D C -2.085 174.031 176.300 -0.308 0.000 1.108 309 D CA -1.162 52.737 54.000 -0.169 0.000 0.894 309 D CB 0.226 41.047 40.800 0.034 0.000 1.203 309 D HN 0.183 nan 8.370 nan 0.000 0.430 310 P HA 0.068 nan 4.420 nan 0.000 0.267 310 P C -0.659 176.421 177.300 -0.367 0.000 1.205 310 P CA -0.011 62.697 63.100 -0.652 0.000 0.765 310 P CB 0.900 31.744 31.700 -1.426 0.000 0.828 311 E N 1.150 121.207 120.200 -0.238 0.000 2.191 311 E HA 0.381 4.732 4.350 0.000 0.000 0.274 311 E C -0.586 175.809 176.600 -0.341 0.000 0.948 311 E CA -1.202 55.034 56.400 -0.273 0.000 0.802 311 E CB 1.856 31.412 29.700 -0.241 0.000 1.137 311 E HN 0.182 nan 8.360 nan 0.000 0.397 312 V N 3.550 123.167 119.914 -0.494 0.000 2.432 312 V HA 0.335 4.455 4.120 0.000 0.000 0.275 312 V C -0.740 174.958 176.094 -0.659 0.000 1.043 312 V CA -0.288 61.780 62.300 -0.386 0.000 0.925 312 V CB 0.025 31.709 31.823 -0.232 0.000 0.985 312 V HN 0.502 nan 8.190 nan 0.000 0.466 313 F N 1.993 121.801 119.950 -0.237 0.000 2.536 313 F HA 0.432 4.959 4.527 0.000 0.000 0.322 313 F C 0.450 176.121 175.800 -0.215 0.000 1.144 313 F CA -0.697 57.053 58.000 -0.418 0.000 0.924 313 F CB 1.574 40.023 39.000 -0.918 0.000 1.181 313 F HN 0.407 nan 8.300 nan 0.000 0.438 314 E N 3.784 124.007 120.200 0.038 0.000 2.316 314 E HA 0.293 4.643 4.350 0.000 0.000 0.275 314 E C -0.298 176.459 176.600 0.262 0.000 1.029 314 E CA -0.312 56.181 56.400 0.156 0.000 0.871 314 E CB 1.526 31.345 29.700 0.197 0.000 1.022 314 E HN 0.504 nan 8.360 nan 0.000 0.418 315 I N 5.065 125.783 120.570 0.247 0.000 2.471 315 I HA 0.071 4.241 4.170 0.000 0.000 0.286 315 I C -2.020 174.219 176.117 0.203 0.000 1.079 315 I CA -1.903 59.554 61.300 0.261 0.000 1.398 315 I CB 0.245 38.327 38.000 0.136 0.000 1.403 315 I HN 0.143 nan 8.210 nan 0.000 0.530 316 P HA 0.057 nan 4.420 nan 0.000 0.261 316 P C -1.995 175.365 177.300 0.100 0.000 1.203 316 P CA -0.805 62.380 63.100 0.143 0.000 0.767 316 P CB 0.154 31.922 31.700 0.113 0.000 0.785 317 P HA -0.225 nan 4.420 nan 0.000 0.217 317 P C 0.751 178.091 177.300 0.066 0.000 1.148 317 P CA 1.431 64.584 63.100 0.089 0.000 0.834 317 P CB -0.056 31.700 31.700 0.093 0.000 0.783 318 D N -1.174 119.260 120.400 0.057 0.000 2.310 318 D HA -0.055 4.585 4.640 0.000 0.000 0.212 318 D C 1.629 177.949 176.300 0.033 0.000 0.965 318 D CA 0.861 54.885 54.000 0.041 0.000 0.879 318 D CB -0.006 40.815 40.800 0.035 0.000 0.921 318 D HN 0.300 nan 8.370 nan 0.000 0.510 319 L N 0.542 121.785 121.223 0.034 0.000 2.529 319 L HA 0.071 4.411 4.340 0.000 0.000 0.223 319 L C 0.553 177.440 176.870 0.029 0.000 1.113 319 L CA 0.125 54.979 54.840 0.023 0.000 0.861 319 L CB 0.669 42.732 42.059 0.007 0.000 1.012 319 L HN -0.227 nan 8.230 nan 0.000 0.461 320 V N 2.328 122.264 119.914 0.038 0.000 2.304 320 V HA 0.146 4.266 4.120 0.000 0.000 0.262 320 V C 0.033 176.159 176.094 0.053 0.000 1.061 320 V CA -0.482 61.842 62.300 0.039 0.000 0.872 320 V CB 1.109 32.955 31.823 0.038 0.000 1.077 320 V HN 0.057 nan 8.190 nan 0.000 0.480 321 L N 5.581 126.837 121.223 0.054 0.000 2.367 321 L HA 0.464 4.804 4.340 0.000 0.000 0.275 321 L C 0.146 177.044 176.870 0.046 0.000 1.129 321 L CA 0.773 55.636 54.840 0.039 0.000 0.839 321 L CB 0.517 42.593 42.059 0.029 0.000 1.133 321 L HN 0.656 nan 8.230 nan 0.000 0.453 322 E N 3.180 123.387 120.200 0.011 0.000 2.336 322 E HA 0.617 4.967 4.350 0.000 0.000 0.267 322 E C -1.491 175.045 176.600 -0.107 0.000 0.906 322 E CA -1.048 55.349 56.400 -0.005 0.000 0.781 322 E CB 2.480 32.206 29.700 0.043 0.000 1.261 322 E HN 0.382 nan 8.360 nan 0.000 0.436 323 V N 1.673 121.487 119.914 -0.167 0.000 2.444 323 V HA 0.253 4.373 4.120 0.000 0.000 0.294 323 V C -0.150 175.884 176.094 -0.100 0.000 1.022 323 V CA -0.829 61.320 62.300 -0.252 0.000 0.850 323 V CB 1.587 33.012 31.823 -0.662 0.000 0.992 323 V HN 0.841 nan 8.190 nan 0.000 0.426 324 T N 3.624 118.140 114.554 -0.063 0.000 2.832 324 T HA 0.466 4.816 4.350 0.000 0.000 0.296 324 T C -0.036 174.701 174.700 0.062 0.000 0.968 324 T CA -0.756 61.345 62.100 0.001 0.000 1.107 324 T CB 0.680 69.553 68.868 0.009 0.000 0.916 324 T HN 0.309 nan 8.240 nan 0.000 0.517 325 M N 3.459 123.148 119.600 0.148 0.000 2.194 325 M HA 0.330 4.810 4.480 0.000 0.000 0.347 325 M C 0.258 176.750 176.300 0.320 0.000 1.439 325 M CA 0.243 55.703 55.300 0.267 0.000 1.131 325 M CB -0.480 32.386 32.600 0.444 0.000 1.733 325 M HN 0.761 nan 8.290 nan 0.000 0.467 326 E N 1.309 121.633 120.200 0.206 0.000 2.293 326 E HA 0.346 4.696 4.350 0.000 0.000 0.270 326 E C -0.995 175.637 176.600 0.053 0.000 0.879 326 E CA -0.734 55.788 56.400 0.202 0.000 0.756 326 E CB 2.528 32.331 29.700 0.172 0.000 1.208 326 E HN 0.473 nan 8.360 nan 0.000 0.428 327 H N 3.688 122.660 119.070 -0.164 0.000 2.458 327 H HA 0.203 4.759 4.556 0.000 0.000 0.330 327 H C -1.776 173.307 175.328 -0.409 0.000 1.111 327 H CA -2.361 53.439 56.048 -0.412 0.000 1.245 327 H CB 1.645 31.094 29.762 -0.522 0.000 1.456 327 H HN 0.351 nan 8.280 nan 0.000 0.488 328 P HA -0.105 nan 4.420 nan 0.000 0.222 328 P C 0.566 177.721 177.300 -0.242 0.000 1.147 328 P CA 1.116 63.823 63.100 -0.655 0.000 0.790 328 P CB 0.829 32.020 31.700 -0.847 0.000 0.780 329 K N -1.572 118.781 120.400 -0.077 0.000 2.443 329 K HA 0.134 4.454 4.320 0.000 0.000 0.200 329 K C 0.737 177.129 176.600 -0.346 0.000 1.278 329 K CA 0.237 56.357 56.287 -0.279 0.000 0.925 329 K CB -0.123 32.110 32.500 -0.445 0.000 1.225 329 K HN 0.261 nan 8.250 nan 0.000 0.514 330 Y N 2.827 122.831 120.300 -0.493 0.000 2.585 330 Y HA 0.097 4.647 4.550 0.000 0.000 0.354 330 Y C 1.261 176.817 175.900 -0.574 0.000 1.024 330 Y CA -0.390 57.228 58.100 -0.804 0.000 1.321 330 Y CB 0.495 38.018 38.460 -1.563 0.000 1.151 330 Y HN 0.060 nan 8.280 nan 0.000 0.525 331 E N 3.639 123.747 120.200 -0.153 0.000 2.268 331 E HA -0.177 4.173 4.350 0.000 0.000 0.195 331 E C 1.393 178.026 176.600 0.055 0.000 0.995 331 E CA 0.918 57.311 56.400 -0.012 0.000 0.836 331 E CB -0.021 29.716 29.700 0.061 0.000 0.763 331 E HN 0.867 nan 8.360 nan 0.000 0.491 332 W N -0.294 121.100 121.300 0.156 0.000 2.800 332 W HA 0.006 4.666 4.660 0.000 0.000 0.249 332 W C 1.280 177.862 176.519 0.105 0.000 1.294 332 W CA -0.282 57.118 57.345 0.093 0.000 1.402 332 W CB -0.741 28.733 29.460 0.025 0.000 1.126 332 W HN -0.049 nan 8.180 nan 0.000 0.652 333 F N 3.746 123.564 119.950 -0.220 0.000 2.134 333 F HA -0.309 4.218 4.527 0.000 0.000 0.299 333 F C 2.955 178.805 175.800 0.084 0.000 1.097 333 F CA 2.756 60.695 58.000 -0.103 0.000 1.264 333 F CB -0.360 38.503 39.000 -0.229 0.000 1.001 333 F HN -0.138 nan 8.300 nan 0.000 0.479 334 Q N 1.036 120.981 119.800 0.241 0.000 2.364 334 Q HA -0.200 4.140 4.340 0.000 0.000 0.207 334 Q C 1.344 177.409 176.000 0.109 0.000 0.970 334 Q CA 1.683 57.593 55.803 0.178 0.000 0.888 334 Q CB -1.015 27.820 28.738 0.162 0.000 0.951 334 Q HN 0.566 nan 8.270 nan 0.000 0.469 335 E N 0.410 120.682 120.200 0.121 0.000 2.418 335 E HA 0.011 4.361 4.350 0.000 0.000 0.197 335 E C 1.835 178.466 176.600 0.051 0.000 1.026 335 E CA 0.346 56.806 56.400 0.100 0.000 0.862 335 E CB -0.026 29.756 29.700 0.137 0.000 0.799 335 E HN 0.371 nan 8.360 nan 0.000 0.518 336 L N -0.287 120.932 121.223 -0.006 0.000 2.291 336 L HA 0.026 4.366 4.340 0.000 0.000 0.214 336 L C 1.465 178.330 176.870 -0.008 0.000 1.120 336 L CA 0.535 55.330 54.840 -0.076 0.000 0.799 336 L CB -0.352 41.530 42.059 -0.295 0.000 0.925 336 L HN 0.245 nan 8.230 nan 0.000 0.446 337 G N 1.041 109.863 108.800 0.036 0.000 2.246 337 G HA2 -0.277 3.683 3.960 0.000 0.000 0.273 337 G HA3 -0.277 3.683 3.960 0.000 0.000 0.273 337 G C 0.001 175.008 174.900 0.178 0.000 1.055 337 G CA -0.025 45.139 45.100 0.106 0.000 0.851 337 G HN 0.229 nan 8.290 nan 0.000 0.500 338 L N -0.559 120.709 121.223 0.076 0.000 2.360 338 L HA 0.809 5.149 4.340 0.000 0.000 0.271 338 L C 0.658 177.488 176.870 -0.067 0.000 1.057 338 L CA -0.541 54.323 54.840 0.040 0.000 0.803 338 L CB 1.643 43.592 42.059 -0.184 0.000 1.207 338 L HN 0.524 nan 8.230 nan 0.000 0.445 339 K N 0.744 120.936 120.400 -0.346 0.000 2.571 339 K HA 0.503 4.823 4.320 0.000 0.000 0.289 339 K C -2.049 174.528 176.600 -0.039 0.000 1.028 339 K CA -1.063 55.098 56.287 -0.210 0.000 0.895 339 K CB 2.202 34.498 32.500 -0.339 0.000 1.534 339 K HN 0.572 nan 8.250 nan 0.000 0.421 340 W N 1.732 122.966 121.300 -0.109 0.000 3.146 340 W HA 0.322 4.982 4.660 0.000 0.000 0.319 340 W C -1.338 175.191 176.519 0.016 0.000 1.258 340 W CA -0.793 56.541 57.345 -0.018 0.000 1.189 340 W CB 1.569 30.887 29.460 -0.237 0.000 1.412 340 W HN 0.689 nan 8.180 nan 0.000 0.567 341 Y N 1.063 121.202 120.300 -0.268 0.000 2.336 341 Y HA 0.504 5.054 4.550 0.000 0.000 0.331 341 Y C 0.752 176.824 175.900 0.286 0.000 1.211 341 Y CA 0.127 58.178 58.100 -0.081 0.000 1.346 341 Y CB 0.258 38.542 38.460 -0.292 0.000 1.271 341 Y HN 0.341 nan 8.280 nan 0.000 0.538 342 A N 2.783 125.822 122.820 0.364 0.000 2.218 342 A HA 0.171 4.491 4.320 0.000 0.000 0.209 342 A C 0.197 178.113 177.584 0.554 0.000 1.168 342 A CA 0.076 52.397 52.037 0.472 0.000 0.804 342 A CB -0.267 18.850 19.000 0.195 0.000 0.834 342 A HN 0.663 nan 8.150 nan 0.000 0.482 343 L N 1.777 123.294 121.223 0.490 0.000 2.301 343 L HA 0.442 4.782 4.340 0.000 0.000 0.278 343 L C -2.676 174.333 176.870 0.232 0.000 1.022 343 L CA -2.209 52.811 54.840 0.300 0.000 0.854 343 L CB 1.775 43.946 42.059 0.187 0.000 1.226 343 L HN -0.081 nan 8.230 nan 0.000 0.429 344 P HA 0.386 nan 4.420 nan 0.000 0.291 344 P C -1.379 175.826 177.300 -0.158 0.000 1.340 344 P CA -0.267 62.665 63.100 -0.281 0.000 0.799 344 P CB 1.386 32.526 31.700 -0.933 0.000 0.917 345 A N 4.312 127.058 122.820 -0.124 0.000 2.411 345 A HA 0.436 4.756 4.320 0.000 0.000 0.285 345 A C -0.425 176.963 177.584 -0.328 0.000 1.129 345 A CA -0.654 51.254 52.037 -0.215 0.000 0.736 345 A CB 1.139 20.032 19.000 -0.178 0.000 1.186 345 A HN 0.280 nan 8.150 nan 0.000 0.445 346 V N 2.077 121.654 119.914 -0.561 0.000 2.572 346 V HA 0.386 4.506 4.120 0.000 0.000 0.291 346 V C 1.213 176.891 176.094 -0.694 0.000 1.039 346 V CA 1.046 62.939 62.300 -0.677 0.000 1.055 346 V CB 1.063 32.274 31.823 -1.021 0.000 0.969 346 V HN 1.165 nan 8.190 nan 0.000 0.482 347 A N 4.030 126.610 122.820 -0.399 0.000 2.358 347 A HA 0.161 4.481 4.320 0.000 0.000 0.223 347 A C 1.289 178.782 177.584 -0.152 0.000 1.218 347 A CA 0.276 52.151 52.037 -0.270 0.000 0.942 347 A CB 0.014 18.906 19.000 -0.180 0.000 1.005 347 A HN 0.810 nan 8.150 nan 0.000 0.514 348 N N -0.461 118.155 118.700 -0.139 0.000 2.238 348 N HA 0.235 4.975 4.740 0.000 0.000 0.222 348 N C 0.021 175.533 175.510 0.003 0.000 1.133 348 N CA -0.102 52.916 53.050 -0.053 0.000 0.854 348 N CB -0.278 38.172 38.487 -0.062 0.000 1.041 348 N HN 0.372 nan 8.380 nan 0.000 0.510 349 M N 0.421 120.017 119.600 -0.006 0.000 2.471 349 M HA 0.369 4.849 4.480 0.000 0.000 0.309 349 M C -0.484 175.930 176.300 0.192 0.000 1.186 349 M CA -0.898 54.466 55.300 0.107 0.000 1.008 349 M CB 2.053 34.718 32.600 0.108 0.000 1.551 349 M HN 0.060 nan 8.290 nan 0.000 0.477 350 L N 2.384 123.761 121.223 0.257 0.000 2.322 350 L HA 0.547 4.887 4.340 0.000 0.000 0.281 350 L C -1.442 175.652 176.870 0.374 0.000 1.014 350 L CA -1.014 54.002 54.840 0.293 0.000 0.815 350 L CB 1.389 43.586 42.059 0.229 0.000 1.247 350 L HN 0.588 nan 8.230 nan 0.000 0.421 351 L N 5.048 126.499 121.223 0.379 0.000 2.265 351 L HA 0.444 4.784 4.340 0.000 0.000 0.288 351 L C -0.374 176.664 176.870 0.281 0.000 1.058 351 L CA 0.394 55.404 54.840 0.284 0.000 0.809 351 L CB 0.975 43.180 42.059 0.243 0.000 1.179 351 L HN 0.626 nan 8.230 nan 0.000 0.429 352 E N 4.863 125.183 120.200 0.201 0.000 2.166 352 E HA 0.520 4.870 4.350 0.000 0.000 0.275 352 E C -1.837 174.795 176.600 0.054 0.000 0.941 352 E CA -0.422 56.087 56.400 0.182 0.000 0.784 352 E CB 1.889 31.795 29.700 0.343 0.000 1.115 352 E HN 0.524 nan 8.360 nan 0.000 0.399 353 V N 3.102 123.015 119.914 -0.002 0.000 2.789 353 V HA 0.472 4.592 4.120 0.000 0.000 0.300 353 V C 0.346 176.341 176.094 -0.166 0.000 1.184 353 V CA 0.470 62.666 62.300 -0.173 0.000 0.930 353 V CB 1.305 32.927 31.823 -0.336 0.000 1.041 353 V HN 0.866 nan 8.190 nan 0.000 0.430 354 G N 4.255 113.009 108.800 -0.076 0.000 2.361 354 G HA2 0.052 4.012 3.960 0.000 0.000 0.294 354 G HA3 0.052 4.012 3.960 0.000 0.000 0.294 354 G C 1.663 176.739 174.900 0.293 0.000 1.004 354 G CA 1.521 46.750 45.100 0.215 0.000 0.870 354 G HN 2.759 nan 8.290 nan 0.000 0.510 355 G N -2.066 106.827 108.800 0.154 0.000 2.217 355 G HA2 -0.234 3.726 3.960 0.000 0.000 0.246 355 G HA3 -0.234 3.726 3.960 0.000 0.000 0.246 355 G C 0.523 175.478 174.900 0.092 0.000 0.990 355 G CA 0.421 45.640 45.100 0.199 0.000 0.627 355 G HN 1.216 nan 8.290 nan 0.000 0.522 356 L N 0.742 121.971 121.223 0.010 0.000 2.418 356 L HA 0.614 4.954 4.340 0.000 0.000 0.265 356 L C 0.363 177.126 176.870 -0.178 0.000 1.143 356 L CA -0.304 54.434 54.840 -0.169 0.000 0.809 356 L CB 0.964 42.821 42.059 -0.337 0.000 1.124 356 L HN 0.214 nan 8.230 nan 0.000 0.456 357 E N 1.991 122.006 120.200 -0.307 0.000 2.224 357 E HA 0.390 4.740 4.350 0.000 0.000 0.265 357 E C -1.582 174.807 176.600 -0.352 0.000 0.878 357 E CA -0.418 55.869 56.400 -0.188 0.000 0.759 357 E CB 2.001 31.647 29.700 -0.089 0.000 1.164 357 E HN 0.263 nan 8.360 nan 0.000 0.414 358 F N 3.178 123.156 119.950 0.046 0.000 2.359 358 F HA 0.299 4.826 4.527 0.000 0.000 0.369 358 F C -1.801 174.071 175.800 0.119 0.000 1.084 358 F CA -2.116 55.928 58.000 0.073 0.000 1.096 358 F CB 1.433 40.469 39.000 0.059 0.000 1.335 358 F HN 0.357 nan 8.300 nan 0.000 0.457 359 P HA -0.086 nan 4.420 nan 0.000 0.225 359 P C -0.164 177.272 177.300 0.226 0.000 1.148 359 P CA 0.784 63.999 63.100 0.192 0.000 0.779 359 P CB 0.416 32.205 31.700 0.149 0.000 0.780 360 A N -0.109 122.897 122.820 0.310 0.000 2.411 360 A HA 0.569 4.889 4.320 0.000 0.000 0.285 360 A C -0.407 177.431 177.584 0.424 0.000 1.129 360 A CA -0.436 51.808 52.037 0.346 0.000 0.736 360 A CB 0.437 19.637 19.000 0.334 0.000 1.186 360 A HN 0.244 nan 8.150 nan 0.000 0.445 361 C N 0.970 120.444 119.300 0.289 0.000 3.079 361 C HA 0.462 4.922 4.460 0.000 0.000 0.246 361 C C -2.959 172.092 174.990 0.101 0.000 1.025 361 C CA -1.422 57.707 59.018 0.185 0.000 1.081 361 C CB -0.250 27.608 27.740 0.197 0.000 1.757 361 C HN 0.591 nan 8.230 nan 0.000 0.646 362 P HA 0.385 nan 4.420 nan 0.000 0.268 362 P C -0.594 176.615 177.300 -0.152 0.000 1.204 362 P CA 0.872 63.843 63.100 -0.214 0.000 0.768 362 P CB 0.617 32.195 31.700 -0.204 0.000 0.842 363 F N 0.595 120.416 119.950 -0.216 0.000 2.629 363 F HA 0.707 5.234 4.527 0.000 0.000 0.316 363 F C -0.637 175.039 175.800 -0.207 0.000 1.081 363 F CA -1.159 56.725 58.000 -0.193 0.000 0.954 363 F CB 1.678 40.433 39.000 -0.409 0.000 1.337 363 F HN 0.374 nan 8.300 nan 0.000 0.474 364 N N -0.357 118.412 118.700 0.114 0.000 2.708 364 N HA 0.728 5.468 4.740 0.000 0.000 0.257 364 N C -1.299 174.126 175.510 -0.142 0.000 1.373 364 N CA -0.394 52.648 53.050 -0.014 0.000 0.843 364 N CB 1.854 40.385 38.487 0.074 0.000 1.503 364 N HN 1.108 nan 8.380 nan 0.000 0.504 365 G N -1.001 107.683 108.800 -0.193 0.000 3.107 365 G HA2 0.660 4.620 3.960 0.000 0.000 0.233 365 G HA3 0.660 4.620 3.960 0.000 0.000 0.233 365 G C -1.815 173.022 174.900 -0.105 0.000 1.168 365 G CA -0.701 44.210 45.100 -0.315 0.000 0.801 365 G HN 0.697 nan 8.290 nan 0.000 0.605 366 W N -1.577 119.713 121.300 -0.016 0.000 2.850 366 W HA 0.835 5.495 4.660 0.000 0.000 0.349 366 W C -1.314 175.179 176.519 -0.044 0.000 1.133 366 W CA -2.054 55.293 57.345 0.004 0.000 1.117 366 W CB 0.368 29.871 29.460 0.071 0.000 1.442 366 W HN 0.402 nan 8.180 nan 0.000 0.575 367 Y N 1.981 122.469 120.300 0.313 0.000 2.314 367 Y HA 0.333 4.883 4.550 0.000 0.000 0.334 367 Y C 0.597 176.543 175.900 0.077 0.000 1.266 367 Y CA -0.846 57.306 58.100 0.088 0.000 1.391 367 Y CB 1.259 39.664 38.460 -0.090 0.000 1.306 367 Y HN 0.405 nan 8.280 nan 0.000 0.558 368 M N 1.921 121.656 119.600 0.226 0.000 2.181 368 M HA 0.372 4.852 4.480 0.000 0.000 0.323 368 M C 0.982 177.254 176.300 -0.047 0.000 1.004 368 M CA -0.252 55.105 55.300 0.095 0.000 0.941 368 M CB 1.430 34.074 32.600 0.073 0.000 1.579 368 M HN 0.833 nan 8.290 nan 0.000 0.427 369 G N 1.911 110.632 108.800 -0.133 0.000 2.663 369 G HA2 -0.367 3.593 3.960 0.000 0.000 0.222 369 G HA3 -0.367 3.593 3.960 0.000 0.000 0.222 369 G C 1.121 175.833 174.900 -0.315 0.000 1.146 369 G CA 2.092 47.035 45.100 -0.262 0.000 0.764 369 G HN 0.882 nan 8.290 nan 0.000 0.608 370 T N -1.304 113.073 114.554 -0.296 0.000 2.929 370 T HA -0.009 4.341 4.350 0.000 0.000 0.271 370 T C 1.948 176.462 174.700 -0.311 0.000 1.085 370 T CA 1.602 63.491 62.100 -0.352 0.000 1.125 370 T CB -0.102 68.493 68.868 -0.456 0.000 0.874 370 T HN 0.283 nan 8.240 nan 0.000 0.494 371 E N 1.162 121.205 120.200 -0.262 0.000 2.077 371 E HA 0.003 4.353 4.350 0.000 0.000 0.193 371 E C 2.167 178.470 176.600 -0.494 0.000 0.989 371 E CA 1.009 57.267 56.400 -0.237 0.000 0.800 371 E CB -0.238 29.471 29.700 0.015 0.000 0.746 371 E HN 0.625 nan 8.360 nan 0.000 0.452 372 I N 0.038 120.150 120.570 -0.762 0.000 2.260 372 I HA -0.071 4.099 4.170 0.000 0.000 0.237 372 I C 2.553 178.059 176.117 -1.018 0.000 1.075 372 I CA 1.054 61.598 61.300 -1.260 0.000 1.376 372 I CB -0.672 36.504 38.000 -1.372 0.000 1.107 372 I HN 0.075 nan 8.210 nan 0.000 0.420 373 G N 0.497 108.951 108.800 -0.577 0.000 2.422 373 G HA2 -0.140 3.820 3.960 0.000 0.000 0.218 373 G HA3 -0.140 3.820 3.960 0.000 0.000 0.218 373 G C 1.587 176.422 174.900 -0.108 0.000 1.146 373 G CA 1.118 46.099 45.100 -0.198 0.000 0.769 373 G HN 0.242 nan 8.290 nan 0.000 0.547 374 V N -0.018 119.771 119.914 -0.210 0.000 2.521 374 V HA 0.091 4.211 4.120 0.000 0.000 0.239 374 V C 2.772 178.790 176.094 -0.126 0.000 1.053 374 V CA 0.847 63.062 62.300 -0.142 0.000 1.073 374 V CB -0.214 31.497 31.823 -0.186 0.000 0.746 374 V HN 0.102 nan 8.190 nan 0.000 0.476 375 R N 0.809 121.196 120.500 -0.189 0.000 2.051 375 R HA -0.035 4.306 4.340 0.000 0.000 0.225 375 R C 1.979 178.213 176.300 -0.110 0.000 1.155 375 R CA 1.554 57.569 56.100 -0.141 0.000 0.945 375 R CB -1.167 29.039 30.300 -0.156 0.000 0.840 375 R HN 0.468 nan 8.270 nan 0.000 0.432 376 D N 0.438 120.668 120.400 -0.282 0.000 2.104 376 D HA -0.131 4.509 4.640 0.000 0.000 0.194 376 D C 1.897 178.209 176.300 0.021 0.000 0.994 376 D CA 1.162 54.975 54.000 -0.313 0.000 0.830 376 D CB -0.228 39.841 40.800 -1.219 0.000 0.959 376 D HN 0.088 nan 8.370 nan 0.000 0.452 377 F N 0.242 120.095 119.950 -0.162 0.000 2.270 377 F HA 0.026 4.553 4.527 0.000 0.000 0.295 377 F C 2.371 178.219 175.800 0.080 0.000 1.087 377 F CA -0.167 57.834 58.000 0.001 0.000 1.365 377 F CB -0.628 38.347 39.000 -0.041 0.000 1.056 377 F HN 0.042 nan 8.300 nan 0.000 0.506 378 C N -1.267 118.158 119.300 0.208 0.000 2.912 378 C HA 0.187 4.647 4.460 0.000 0.000 0.274 378 C C 0.430 175.473 174.990 0.089 0.000 1.248 378 C CA -0.677 58.422 59.018 0.135 0.000 1.694 378 C CB -0.589 27.199 27.740 0.080 0.000 2.024 378 C HN 0.073 nan 8.230 nan 0.000 0.605 379 D N 1.841 122.287 120.400 0.077 0.000 2.455 379 D HA 0.069 4.709 4.640 0.000 0.000 0.241 379 D C 1.542 177.890 176.300 0.080 0.000 1.138 379 D CA 0.528 54.561 54.000 0.054 0.000 0.877 379 D CB 0.995 41.822 40.800 0.044 0.000 1.187 379 D HN 0.411 nan 8.370 nan 0.000 0.451 380 T N -0.496 114.092 114.554 0.057 0.000 2.915 380 T HA -0.222 4.128 4.350 0.000 0.000 0.269 380 T C 1.341 176.074 174.700 0.056 0.000 1.071 380 T CA 0.835 62.971 62.100 0.060 0.000 1.132 380 T CB -0.048 68.848 68.868 0.046 0.000 0.878 380 T HN 0.509 nan 8.240 nan 0.000 0.479 381 Q N 0.512 120.344 119.800 0.052 0.000 2.444 381 Q HA 0.118 4.458 4.340 0.000 0.000 0.206 381 Q C 0.972 177.007 176.000 0.058 0.000 0.948 381 Q CA 0.031 55.863 55.803 0.048 0.000 0.946 381 Q CB 0.139 28.904 28.738 0.045 0.000 1.027 381 Q HN 0.400 nan 8.270 nan 0.000 0.513 382 R N -0.260 120.292 120.500 0.087 0.000 2.618 382 R HA 0.237 4.577 4.340 0.000 0.000 0.108 382 R C 1.510 177.859 176.300 0.081 0.000 1.220 382 R CA -0.372 55.803 56.100 0.125 0.000 1.020 382 R CB -1.145 29.303 30.300 0.247 0.000 0.950 382 R HN 0.060 nan 8.270 nan 0.000 0.397 383 Y N 1.563 122.003 120.300 0.232 0.000 2.439 383 Y HA -0.077 4.473 4.550 0.000 0.000 0.292 383 Y C 0.724 176.714 175.900 0.150 0.000 1.130 383 Y CA 0.959 59.198 58.100 0.232 0.000 1.254 383 Y CB -0.340 38.351 38.460 0.386 0.000 1.000 383 Y HN 0.478 nan 8.280 nan 0.000 0.554 384 N N 0.874 119.726 118.700 0.252 0.000 2.699 384 N HA -0.236 4.504 4.740 0.000 0.000 0.256 384 N C 0.390 175.993 175.510 0.154 0.000 0.993 384 N CA 0.810 53.960 53.050 0.166 0.000 0.759 384 N CB -1.352 37.201 38.487 0.110 0.000 0.906 384 N HN 0.670 nan 8.380 nan 0.000 0.541 385 I N -3.300 117.372 120.570 0.170 0.000 3.684 385 I HA 0.068 4.238 4.170 0.000 0.000 0.304 385 I C 1.676 177.865 176.117 0.120 0.000 1.278 385 I CA -0.302 61.061 61.300 0.105 0.000 1.272 385 I CB -0.120 37.892 38.000 0.019 0.000 1.029 385 I HN 0.156 nan 8.210 nan 0.000 0.458 386 L N 1.976 123.294 121.223 0.158 0.000 1.971 386 L HA -0.244 4.096 4.340 0.000 0.000 0.215 386 L C 2.609 179.671 176.870 0.321 0.000 1.072 386 L CA 2.496 57.463 54.840 0.213 0.000 0.758 386 L CB -0.811 41.342 42.059 0.157 0.000 0.889 386 L HN 0.535 nan 8.230 nan 0.000 0.433 387 E N -0.938 119.439 120.200 0.296 0.000 2.058 387 E HA -0.327 4.023 4.350 0.000 0.000 0.194 387 E C 2.072 178.669 176.600 -0.005 0.000 0.997 387 E CA 1.435 57.940 56.400 0.175 0.000 0.801 387 E CB -0.183 29.557 29.700 0.067 0.000 0.746 387 E HN 0.548 nan 8.360 nan 0.000 0.450 388 E N 0.237 120.440 120.200 0.005 0.000 2.070 388 E HA -0.190 4.160 4.350 0.000 0.000 0.197 388 E C 1.967 178.517 176.600 -0.083 0.000 1.004 388 E CA 1.913 58.276 56.400 -0.061 0.000 0.805 388 E CB -0.342 29.334 29.700 -0.040 0.000 0.744 388 E HN 0.239 nan 8.360 nan 0.000 0.451 389 V N 0.331 120.261 119.914 0.027 0.000 2.427 389 V HA -0.148 3.972 4.120 0.000 0.000 0.248 389 V C 2.319 178.446 176.094 0.056 0.000 1.051 389 V CA 1.743 64.104 62.300 0.101 0.000 1.048 389 V CB -1.172 30.807 31.823 0.261 0.000 0.666 389 V HN 0.488 nan 8.190 nan 0.000 0.456 390 G N 0.267 109.120 108.800 0.088 0.000 2.446 390 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 390 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 390 G C 1.745 176.527 174.900 -0.197 0.000 1.168 390 G CA 0.807 45.923 45.100 0.026 0.000 0.771 390 G HN 0.448 nan 8.290 nan 0.000 0.551 391 R N 0.029 120.357 120.500 -0.286 0.000 2.073 391 R HA 0.001 4.341 4.340 0.000 0.000 0.234 391 R C 2.704 178.782 176.300 -0.370 0.000 1.134 391 R CA 1.174 57.087 56.100 -0.312 0.000 0.952 391 R CB -0.351 29.780 30.300 -0.282 0.000 0.850 391 R HN 0.241 nan 8.270 nan 0.000 0.433 392 R N 0.167 120.353 120.500 -0.523 0.000 2.241 392 R HA -0.043 4.297 4.340 0.000 0.000 0.224 392 R C 1.885 177.659 176.300 -0.877 0.000 1.101 392 R CA 1.038 56.567 56.100 -0.951 0.000 0.995 392 R CB -0.075 29.231 30.300 -1.657 0.000 0.870 392 R HN 0.289 nan 8.270 nan 0.000 0.463 393 M N -1.145 118.190 119.600 -0.442 0.000 2.509 393 M HA 0.144 4.624 4.480 0.000 0.000 0.250 393 M C 0.770 176.986 176.300 -0.139 0.000 1.132 393 M CA 0.494 55.666 55.300 -0.213 0.000 1.080 393 M CB 0.954 33.531 32.600 -0.039 0.000 1.408 393 M HN 0.352 nan 8.290 nan 0.000 0.484 394 G N 2.134 110.824 108.800 -0.183 0.000 2.182 394 G HA2 -0.213 3.747 3.960 0.000 0.000 0.248 394 G HA3 -0.213 3.747 3.960 0.000 0.000 0.248 394 G C -0.186 174.662 174.900 -0.087 0.000 1.042 394 G CA -0.210 44.812 45.100 -0.130 0.000 0.775 394 G HN 0.373 nan 8.290 nan 0.000 0.501 395 L N -0.732 120.429 121.223 -0.104 0.000 2.416 395 L HA 0.467 4.807 4.340 0.000 0.000 0.262 395 L C 0.894 177.658 176.870 -0.177 0.000 1.093 395 L CA -0.888 53.913 54.840 -0.066 0.000 0.801 395 L CB 0.778 42.864 42.059 0.044 0.000 1.191 395 L HN 0.167 nan 8.230 nan 0.000 0.459 396 E N 0.300 120.431 120.200 -0.115 0.000 1.972 396 E HA -0.008 4.342 4.350 0.000 0.000 0.292 396 E C 0.778 177.116 176.600 -0.436 0.000 1.193 396 E CA -0.070 56.242 56.400 -0.148 0.000 1.228 396 E CB 0.043 29.744 29.700 0.000 0.000 1.167 396 E HN 0.640 nan 8.360 nan 0.000 0.479 397 T N -2.244 111.799 114.554 -0.851 0.000 3.155 397 T HA -0.138 4.212 4.350 0.000 0.000 0.264 397 T C 0.885 175.018 174.700 -0.946 0.000 1.160 397 T CA 0.921 62.015 62.100 -1.677 0.000 1.075 397 T CB -0.196 67.710 68.868 -1.604 0.000 0.921 397 T HN 0.430 nan 8.240 nan 0.000 0.533 398 H N -0.185 118.717 119.070 -0.281 0.000 2.755 398 H HA 0.310 4.866 4.556 0.000 0.000 0.273 398 H C -0.110 175.243 175.328 0.042 0.000 1.055 398 H CA -0.045 55.960 56.048 -0.071 0.000 1.191 398 H CB 0.847 30.562 29.762 -0.079 0.000 1.536 398 H HN 0.287 nan 8.280 nan 0.000 0.529 399 T N 1.296 115.950 114.554 0.167 0.000 2.912 399 T HA 0.174 4.524 4.350 0.000 0.000 0.326 399 T C 1.185 176.060 174.700 0.293 0.000 1.080 399 T CA -0.343 61.870 62.100 0.190 0.000 1.000 399 T CB 1.123 70.072 68.868 0.134 0.000 1.008 399 T HN 0.202 nan 8.240 nan 0.000 0.473 400 L N 1.734 123.109 121.223 0.254 0.000 2.043 400 L HA -0.171 4.169 4.340 0.000 0.000 0.212 400 L C 2.792 179.732 176.870 0.117 0.000 1.075 400 L CA 1.482 56.437 54.840 0.191 0.000 0.752 400 L CB -0.427 41.695 42.059 0.105 0.000 0.891 400 L HN 0.737 nan 8.230 nan 0.000 0.432 401 A N -0.316 122.568 122.820 0.106 0.000 2.125 401 A HA -0.188 4.132 4.320 0.000 0.000 0.219 401 A C 2.400 180.038 177.584 0.088 0.000 1.156 401 A CA 1.601 53.683 52.037 0.075 0.000 0.671 401 A CB -0.523 18.515 19.000 0.064 0.000 0.794 401 A HN 0.578 nan 8.150 nan 0.000 0.459 402 S N -0.582 115.205 115.700 0.145 0.000 2.481 402 S HA 0.054 4.524 4.470 0.000 0.000 0.231 402 S C 0.901 175.586 174.600 0.141 0.000 0.996 402 S CA 0.783 59.077 58.200 0.156 0.000 0.942 402 S CB -0.690 62.638 63.200 0.213 0.000 0.768 402 S HN 0.923 nan 8.310 nan 0.000 0.520 403 L N 0.263 121.542 121.223 0.093 0.000 3.898 403 L HA -0.160 4.180 4.340 0.000 0.000 0.407 403 L C 1.564 178.446 176.870 0.021 0.000 1.207 403 L CA 0.705 55.544 54.840 -0.001 0.000 0.931 403 L CB -2.727 39.341 42.059 0.016 0.000 2.014 403 L HN 0.748 nan 8.230 nan 0.000 0.858 404 W N 0.359 121.672 121.300 0.022 0.000 2.363 404 W HA -0.133 4.527 4.660 0.000 0.000 0.296 404 W C 1.710 178.248 176.519 0.031 0.000 1.212 404 W CA 1.346 58.705 57.345 0.022 0.000 1.260 404 W CB -0.733 28.728 29.460 0.001 0.000 1.131 404 W HN 0.263 nan 8.180 nan 0.000 0.530 405 K N 1.104 120.984 120.400 -0.867 0.000 2.063 405 K HA -0.180 4.140 4.320 0.000 0.000 0.208 405 K C 1.510 177.950 176.600 -0.268 0.000 1.048 405 K CA 2.422 58.228 56.287 -0.800 0.000 0.928 405 K CB -0.423 31.491 32.500 -0.976 0.000 0.713 405 K HN 0.086 nan 8.250 nan 0.000 0.442 406 D N 0.163 120.450 120.400 -0.187 0.000 2.117 406 D HA -0.108 4.532 4.640 0.000 0.000 0.197 406 D C 1.966 178.275 176.300 0.015 0.000 0.987 406 D CA 1.066 55.026 54.000 -0.067 0.000 0.829 406 D CB 0.032 40.805 40.800 -0.044 0.000 0.961 406 D HN 0.110 nan 8.370 nan 0.000 0.460 407 R N 0.400 120.935 120.500 0.059 0.000 2.075 407 R HA 0.018 4.358 4.340 0.000 0.000 0.232 407 R C 2.264 178.669 176.300 0.175 0.000 1.126 407 R CA 1.120 57.297 56.100 0.128 0.000 0.963 407 R CB -0.247 30.150 30.300 0.162 0.000 0.858 407 R HN 0.148 nan 8.270 nan 0.000 0.435 408 A N 0.556 123.492 122.820 0.192 0.000 1.855 408 A HA -0.125 4.195 4.320 0.000 0.000 0.215 408 A C 2.254 179.964 177.584 0.211 0.000 1.191 408 A CA 1.345 53.532 52.037 0.249 0.000 0.613 408 A CB -0.859 18.324 19.000 0.305 0.000 0.829 408 A HN 0.191 nan 8.150 nan 0.000 0.442 409 V N 0.033 120.019 119.914 0.121 0.000 2.469 409 V HA -0.221 3.899 4.120 0.000 0.000 0.251 409 V C 2.554 178.704 176.094 0.093 0.000 1.064 409 V CA 2.842 65.197 62.300 0.091 0.000 1.066 409 V CB -0.797 31.033 31.823 0.012 0.000 0.667 409 V HN 0.662 nan 8.190 nan 0.000 0.461 410 T N -0.514 114.102 114.554 0.103 0.000 2.857 410 T HA -0.099 4.251 4.350 0.000 0.000 0.266 410 T C 1.789 176.561 174.700 0.120 0.000 1.048 410 T CA 1.289 63.450 62.100 0.101 0.000 1.139 410 T CB -0.187 68.744 68.868 0.105 0.000 0.874 410 T HN 0.482 nan 8.240 nan 0.000 0.455 411 E N 1.074 121.396 120.200 0.203 0.000 2.106 411 E HA 0.011 4.361 4.350 0.000 0.000 0.192 411 E C 2.205 178.898 176.600 0.155 0.000 0.984 411 E CA 0.660 57.229 56.400 0.282 0.000 0.806 411 E CB -0.402 29.610 29.700 0.519 0.000 0.750 411 E HN 0.521 nan 8.360 nan 0.000 0.458 412 I N 1.580 122.282 120.570 0.220 0.000 2.179 412 I HA -0.274 3.896 4.170 0.000 0.000 0.242 412 I C 2.075 178.234 176.117 0.070 0.000 1.088 412 I CA 0.871 62.306 61.300 0.225 0.000 1.357 412 I CB -0.322 37.877 38.000 0.331 0.000 1.051 412 I HN 0.042 nan 8.210 nan 0.000 0.409 413 N N 0.605 119.327 118.700 0.036 0.000 2.120 413 N HA -0.132 4.608 4.740 0.000 0.000 0.188 413 N C 1.948 177.420 175.510 -0.063 0.000 1.024 413 N CA 1.191 54.222 53.050 -0.031 0.000 0.852 413 N CB -0.333 38.137 38.487 -0.029 0.000 1.003 413 N HN 0.155 nan 8.380 nan 0.000 0.424 414 V N 1.616 121.475 119.914 -0.091 0.000 2.343 414 V HA -0.205 3.915 4.120 0.000 0.000 0.247 414 V C 2.426 178.347 176.094 -0.288 0.000 1.051 414 V CA 1.777 63.965 62.300 -0.186 0.000 1.036 414 V CB -0.911 30.756 31.823 -0.260 0.000 0.654 414 V HN 0.287 nan 8.190 nan 0.000 0.451 415 A N -0.203 122.368 122.820 -0.415 0.000 1.877 415 A HA -0.168 4.152 4.320 0.000 0.000 0.216 415 A C 2.406 179.915 177.584 -0.125 0.000 1.186 415 A CA 2.158 53.913 52.037 -0.470 0.000 0.620 415 A CB -0.742 17.674 19.000 -0.974 0.000 0.822 415 A HN 0.324 nan 8.150 nan 0.000 0.443 416 V N 0.140 120.030 119.914 -0.040 0.000 2.255 416 V HA -0.284 3.836 4.120 0.000 0.000 0.247 416 V C 2.604 178.722 176.094 0.039 0.000 1.051 416 V CA 2.121 64.450 62.300 0.048 0.000 1.018 416 V CB -0.829 30.949 31.823 -0.076 0.000 0.641 416 V HN 0.571 nan 8.190 nan 0.000 0.445 417 L N -0.664 120.532 121.223 -0.044 0.000 2.046 417 L HA -0.219 4.121 4.340 0.000 0.000 0.208 417 L C 2.629 179.521 176.870 0.037 0.000 1.077 417 L CA 2.090 56.914 54.840 -0.028 0.000 0.747 417 L CB -0.935 41.105 42.059 -0.031 0.000 0.896 417 L HN 0.504 nan 8.230 nan 0.000 0.432 418 H N -0.121 118.902 119.070 -0.078 0.000 2.319 418 H HA -0.156 4.400 4.556 0.000 0.000 0.299 418 H C 2.306 177.622 175.328 -0.020 0.000 1.092 418 H CA 1.889 57.885 56.048 -0.087 0.000 1.302 418 H CB 0.329 29.974 29.762 -0.196 0.000 1.373 418 H HN 0.257 nan 8.280 nan 0.000 0.497 419 S N 0.362 115.976 115.700 -0.144 0.000 2.353 419 S HA -0.148 4.322 4.470 0.000 0.000 0.222 419 S C 2.009 176.570 174.600 -0.064 0.000 1.035 419 S CA 1.472 59.593 58.200 -0.132 0.000 1.025 419 S CB -0.607 62.616 63.200 0.039 0.000 0.902 419 S HN 0.300 nan 8.310 nan 0.000 0.440 420 F N 1.948 121.829 119.950 -0.115 0.000 2.126 420 F HA -0.144 4.383 4.527 0.000 0.000 0.299 420 F C 2.699 178.440 175.800 -0.099 0.000 1.096 420 F CA 1.296 59.250 58.000 -0.077 0.000 1.255 420 F CB -0.666 38.306 39.000 -0.046 0.000 0.997 420 F HN 0.231 nan 8.300 nan 0.000 0.479 421 Q N -0.228 119.615 119.800 0.071 0.000 2.084 421 Q HA -0.234 4.107 4.340 0.000 0.000 0.202 421 Q C 2.216 178.168 176.000 -0.080 0.000 0.978 421 Q CA 1.650 57.445 55.803 -0.013 0.000 0.844 421 Q CB -0.264 28.459 28.738 -0.025 0.000 0.898 421 Q HN 0.352 nan 8.270 nan 0.000 0.426 422 K N 0.912 121.207 120.400 -0.175 0.000 2.057 422 K HA -0.166 4.154 4.320 0.000 0.000 0.206 422 K C 1.429 177.953 176.600 -0.127 0.000 1.050 422 K CA 1.246 57.417 56.287 -0.194 0.000 0.935 422 K CB 0.176 32.462 32.500 -0.357 0.000 0.715 422 K HN 0.151 nan 8.250 nan 0.000 0.439 423 Q N 0.533 120.255 119.800 -0.130 0.000 2.322 423 Q HA 0.100 4.440 4.340 0.000 0.000 0.203 423 Q C -0.658 175.288 176.000 -0.090 0.000 0.923 423 Q CA -0.163 55.572 55.803 -0.114 0.000 0.949 423 Q CB 0.364 29.009 28.738 -0.154 0.000 1.039 423 Q HN 0.309 nan 8.270 nan 0.000 0.496 424 N N -0.232 118.428 118.700 -0.067 0.000 2.721 424 N HA -0.152 4.588 4.740 0.000 0.000 0.249 424 N C -1.208 174.284 175.510 -0.031 0.000 1.072 424 N CA 0.605 53.628 53.050 -0.045 0.000 0.710 424 N CB -1.396 37.064 38.487 -0.045 0.000 0.993 424 N HN 0.043 nan 8.380 nan 0.000 0.547 425 V N 0.994 120.904 119.914 -0.007 0.000 2.398 425 V HA 0.216 4.336 4.120 0.000 0.000 0.286 425 V C 0.916 177.129 176.094 0.198 0.000 1.026 425 V CA -0.606 61.727 62.300 0.055 0.000 0.868 425 V CB 1.924 33.697 31.823 -0.083 0.000 0.982 425 V HN 0.159 nan 8.190 nan 0.000 0.443 426 T N 6.563 121.183 114.554 0.110 0.000 2.891 426 T HA 0.330 4.680 4.350 0.000 0.000 0.296 426 T C -0.231 174.530 174.700 0.102 0.000 1.025 426 T CA 1.049 63.144 62.100 -0.009 0.000 1.149 426 T CB -0.059 68.698 68.868 -0.185 0.000 1.007 426 T HN 0.574 nan 8.240 nan 0.000 0.528 427 I N 2.424 122.961 120.570 -0.055 0.000 2.882 427 I HA 0.552 4.722 4.170 0.000 0.000 0.298 427 I C -1.626 174.452 176.117 -0.065 0.000 1.462 427 I CA -0.998 60.263 61.300 -0.065 0.000 1.000 427 I CB 2.048 39.888 38.000 -0.265 0.000 1.340 427 I HN 0.636 nan 8.210 nan 0.000 0.462 428 M N 4.994 124.611 119.600 0.028 0.000 2.326 428 M HA 0.381 4.861 4.480 0.000 0.000 0.292 428 M C -1.588 174.752 176.300 0.067 0.000 1.081 428 M CA -0.521 54.819 55.300 0.067 0.000 0.919 428 M CB 1.786 34.499 32.600 0.189 0.000 1.634 428 M HN 0.640 nan 8.290 nan 0.000 0.451 429 D N 2.126 122.566 120.400 0.068 0.000 2.360 429 D HA 0.054 4.694 4.640 0.000 0.000 0.242 429 D C 1.138 177.520 176.300 0.137 0.000 1.184 429 D CA -0.024 54.052 54.000 0.126 0.000 0.930 429 D CB 0.565 41.438 40.800 0.120 0.000 1.161 429 D HN 0.690 nan 8.370 nan 0.000 0.447 430 H N 0.265 119.276 119.070 -0.097 0.000 2.423 430 H HA -0.146 4.410 4.556 0.000 0.000 0.297 430 H C 1.211 176.438 175.328 -0.168 0.000 1.075 430 H CA 1.516 57.466 56.048 -0.164 0.000 1.342 430 H CB -0.836 28.769 29.762 -0.263 0.000 1.395 430 H HN 0.552 nan 8.280 nan 0.000 0.530 431 H N 0.890 119.762 119.070 -0.330 0.000 2.299 431 H HA -0.045 4.511 4.556 0.000 0.000 0.302 431 H C 1.973 177.269 175.328 -0.054 0.000 1.078 431 H CA 1.986 57.907 56.048 -0.211 0.000 1.323 431 H CB -0.384 29.223 29.762 -0.258 0.000 1.381 431 H HN 0.388 nan 8.280 nan 0.000 0.498 432 T N 1.238 115.848 114.554 0.093 0.000 2.788 432 T HA -0.092 4.258 4.350 0.000 0.000 0.268 432 T C 2.328 177.093 174.700 0.108 0.000 1.044 432 T CA 1.107 63.261 62.100 0.088 0.000 1.139 432 T CB -0.369 68.544 68.868 0.075 0.000 0.867 432 T HN 0.438 nan 8.240 nan 0.000 0.454 433 A N 1.511 124.397 122.820 0.110 0.000 1.877 433 A HA -0.091 4.229 4.320 0.000 0.000 0.216 433 A C 2.624 180.299 177.584 0.151 0.000 1.186 433 A CA 1.930 54.049 52.037 0.137 0.000 0.620 433 A CB -0.922 18.149 19.000 0.118 0.000 0.822 433 A HN 0.446 nan 8.150 nan 0.000 0.443 434 S N -0.016 115.752 115.700 0.114 0.000 2.353 434 S HA -0.200 4.270 4.470 0.000 0.000 0.222 434 S C 1.850 176.566 174.600 0.192 0.000 1.035 434 S CA 1.598 59.886 58.200 0.146 0.000 1.025 434 S CB -0.432 62.821 63.200 0.089 0.000 0.902 434 S HN 0.689 nan 8.310 nan 0.000 0.440 435 E N 0.870 121.156 120.200 0.143 0.000 2.085 435 E HA -0.147 4.203 4.350 0.000 0.000 0.194 435 E C 2.301 178.977 176.600 0.127 0.000 0.994 435 E CA 1.272 57.746 56.400 0.123 0.000 0.801 435 E CB -0.266 29.489 29.700 0.092 0.000 0.743 435 E HN 0.442 nan 8.360 nan 0.000 0.453 436 S N 0.268 116.055 115.700 0.145 0.000 2.382 436 S HA -0.170 4.300 4.470 0.000 0.000 0.228 436 S C 1.756 176.463 174.600 0.178 0.000 1.027 436 S CA 0.857 59.145 58.200 0.147 0.000 0.991 436 S CB -0.271 63.025 63.200 0.159 0.000 0.823 436 S HN 0.323 nan 8.310 nan 0.000 0.469 437 F N 1.743 121.748 119.950 0.093 0.000 2.186 437 F HA 0.049 4.577 4.527 0.000 0.000 0.299 437 F C 2.065 177.951 175.800 0.143 0.000 1.090 437 F CA 1.328 59.396 58.000 0.114 0.000 1.307 437 F CB -0.321 38.726 39.000 0.078 0.000 1.019 437 F HN 0.181 nan 8.300 nan 0.000 0.489 438 M N 0.307 119.946 119.600 0.064 0.000 2.149 438 M HA -0.185 4.295 4.480 0.000 0.000 0.261 438 M C 2.183 178.437 176.300 -0.077 0.000 1.064 438 M CA 1.556 56.848 55.300 -0.013 0.000 1.102 438 M CB -1.195 31.458 32.600 0.088 0.000 1.369 438 M HN 0.112 nan 8.290 nan 0.000 0.408 439 K N -0.435 119.953 120.400 -0.021 0.000 2.057 439 K HA -0.186 4.134 4.320 0.000 0.000 0.206 439 K C 2.000 178.571 176.600 -0.047 0.000 1.050 439 K CA 1.739 58.018 56.287 -0.015 0.000 0.935 439 K CB -0.595 31.924 32.500 0.030 0.000 0.715 439 K HN 0.403 nan 8.250 nan 0.000 0.439 440 H N -0.269 118.706 119.070 -0.157 0.000 2.353 440 H HA -0.039 4.517 4.556 0.000 0.000 0.300 440 H C 1.996 177.175 175.328 -0.248 0.000 1.090 440 H CA 2.429 58.370 56.048 -0.179 0.000 1.327 440 H CB -0.133 29.507 29.762 -0.203 0.000 1.383 440 H HN 0.237 nan 8.280 nan 0.000 0.508 441 M N -0.100 119.196 119.600 -0.507 0.000 2.149 441 M HA -0.230 4.250 4.480 0.000 0.000 0.261 441 M C 2.136 178.360 176.300 -0.127 0.000 1.064 441 M CA 1.944 57.003 55.300 -0.402 0.000 1.102 441 M CB 0.005 32.383 32.600 -0.370 0.000 1.369 441 M HN 0.452 nan 8.290 nan 0.000 0.408 442 Q N -0.118 119.607 119.800 -0.124 0.000 2.119 442 Q HA -0.148 4.192 4.340 0.000 0.000 0.201 442 Q C 1.608 177.574 176.000 -0.057 0.000 0.972 442 Q CA 1.550 57.319 55.803 -0.056 0.000 0.847 442 Q CB -0.067 28.632 28.738 -0.066 0.000 0.903 442 Q HN 0.542 nan 8.270 nan 0.000 0.433 443 N N 0.228 118.853 118.700 -0.125 0.000 2.188 443 N HA -0.134 4.606 4.740 0.000 0.000 0.184 443 N C 1.440 176.856 175.510 -0.156 0.000 1.018 443 N CA 0.901 53.885 53.050 -0.110 0.000 0.858 443 N CB -0.047 38.387 38.487 -0.088 0.000 0.989 443 N HN 0.220 nan 8.380 nan 0.000 0.426 444 E N 0.217 120.237 120.200 -0.299 0.000 2.072 444 E HA -0.099 4.251 4.350 0.000 0.000 0.191 444 E C 1.778 178.235 176.600 -0.238 0.000 0.985 444 E CA 0.764 56.956 56.400 -0.347 0.000 0.801 444 E CB -0.443 28.934 29.700 -0.539 0.000 0.750 444 E HN 0.488 nan 8.360 nan 0.000 0.452 445 Y N 0.934 121.138 120.300 -0.160 0.000 2.352 445 Y HA -0.108 4.442 4.550 0.000 0.000 0.292 445 Y C 2.553 178.409 175.900 -0.073 0.000 1.136 445 Y CA 1.164 59.208 58.100 -0.093 0.000 1.227 445 Y CB 0.077 38.482 38.460 -0.092 0.000 0.991 445 Y HN -0.030 nan 8.280 nan 0.000 0.545 446 R N -0.785 119.743 120.500 0.046 0.000 2.055 446 R HA -0.042 4.298 4.340 0.000 0.000 0.226 446 R C 2.534 178.830 176.300 -0.008 0.000 1.135 446 R CA 0.968 57.077 56.100 0.016 0.000 0.959 446 R CB -0.573 29.727 30.300 -0.000 0.000 0.854 446 R HN 0.261 nan 8.270 nan 0.000 0.431 447 A N 1.808 124.608 122.820 -0.035 0.000 1.902 447 A HA -0.184 4.136 4.320 0.000 0.000 0.217 447 A C 1.701 179.259 177.584 -0.044 0.000 1.181 447 A CA 1.736 53.753 52.037 -0.034 0.000 0.623 447 A CB -0.184 18.791 19.000 -0.042 0.000 0.818 447 A HN 0.452 nan 8.150 nan 0.000 0.443 448 R N -2.904 117.547 120.500 -0.081 0.000 2.563 448 R HA 0.391 4.731 4.340 0.000 0.000 0.443 448 R C 0.611 176.857 176.300 -0.090 0.000 0.956 448 R CA 0.306 56.360 56.100 -0.077 0.000 1.141 448 R CB -0.886 29.357 30.300 -0.094 0.000 1.553 448 R HN 0.907 nan 8.270 nan 0.000 0.577 449 G N 0.162 108.915 108.800 -0.079 0.000 2.350 449 G HA2 0.028 3.988 3.960 0.000 0.000 0.298 449 G HA3 0.028 3.988 3.960 0.000 0.000 0.298 449 G C 0.260 175.003 174.900 -0.260 0.000 1.037 449 G CA 0.325 45.398 45.100 -0.045 0.000 1.074 449 G HN 1.012 nan 8.290 nan 0.000 0.511 450 G N -2.375 105.950 108.800 -0.791 0.000 2.347 450 G HA2 0.544 4.504 3.960 0.000 0.000 0.303 450 G HA3 0.544 4.504 3.960 0.000 0.000 0.303 450 G C -0.783 173.634 174.900 -0.806 0.000 1.481 450 G CA 0.205 44.649 45.100 -1.093 0.000 0.914 450 G HN 1.973 nan 8.290 nan 0.000 0.638 451 C N 2.655 121.625 119.300 -0.549 0.000 2.887 451 C HA 0.660 5.120 4.460 0.000 0.000 0.379 451 C C -2.524 172.361 174.990 -0.176 0.000 1.064 451 C CA -1.165 57.694 59.018 -0.265 0.000 1.282 451 C CB 1.145 28.767 27.740 -0.197 0.000 1.749 451 C HN 0.714 nan 8.230 nan 0.000 0.489 452 P HA 0.369 nan 4.420 nan 0.000 0.266 452 P C -0.588 176.597 177.300 -0.192 0.000 1.215 452 P CA 0.683 63.368 63.100 -0.691 0.000 0.763 452 P CB 0.936 32.140 31.700 -0.827 0.000 0.806 453 A N 2.885 125.662 122.820 -0.071 0.000 2.455 453 A HA 0.413 4.733 4.320 0.000 0.000 0.300 453 A C -0.965 176.671 177.584 0.087 0.000 1.040 453 A CA -0.556 51.531 52.037 0.083 0.000 0.697 453 A CB 1.285 20.444 19.000 0.266 0.000 1.265 453 A HN 0.431 nan 8.150 nan 0.000 0.407 454 D N 2.114 122.554 120.400 0.068 0.000 2.467 454 D HA 0.136 4.776 4.640 0.000 0.000 0.220 454 D C 0.817 177.246 176.300 0.215 0.000 1.103 454 D CA -0.506 53.571 54.000 0.128 0.000 0.886 454 D CB 0.332 41.155 40.800 0.038 0.000 1.025 454 D HN 0.616 nan 8.370 nan 0.000 0.514 455 W N 4.372 125.711 121.300 0.064 0.000 2.304 455 W HA -0.239 4.421 4.660 0.000 0.000 0.315 455 W C 1.745 178.303 176.519 0.066 0.000 1.233 455 W CA 1.281 58.652 57.345 0.043 0.000 1.261 455 W CB -0.090 29.374 29.460 0.006 0.000 1.150 455 W HN 0.471 nan 8.180 nan 0.000 0.494 456 I N -1.006 119.882 120.570 0.530 0.000 2.423 456 I HA -0.304 3.867 4.170 0.000 0.000 0.254 456 I C 1.650 177.894 176.117 0.213 0.000 1.151 456 I CA 1.397 62.948 61.300 0.419 0.000 1.421 456 I CB -0.578 37.676 38.000 0.423 0.000 1.079 456 I HN 0.124 nan 8.210 nan 0.000 0.431 457 W N -0.116 121.175 121.300 -0.015 0.000 2.762 457 W HA 0.172 4.832 4.660 0.000 0.000 0.265 457 W C 2.164 178.578 176.519 -0.174 0.000 1.263 457 W CA 0.091 57.395 57.345 -0.069 0.000 1.411 457 W CB -0.271 29.170 29.460 -0.031 0.000 1.065 457 W HN -0.069 nan 8.180 nan 0.000 0.609 458 L N -0.210 120.983 121.223 -0.051 0.000 2.179 458 L HA -0.003 4.337 4.340 0.000 0.000 0.208 458 L C 0.638 177.313 176.870 -0.326 0.000 1.096 458 L CA 0.397 55.077 54.840 -0.266 0.000 0.779 458 L CB -0.891 40.922 42.059 -0.410 0.000 0.922 458 L HN -0.400 nan 8.230 nan 0.000 0.443 459 V N 1.409 121.054 119.914 -0.448 0.000 2.470 459 V HA 0.132 4.252 4.120 0.000 0.000 0.276 459 V C -1.832 174.104 176.094 -0.264 0.000 1.040 459 V CA -1.384 60.648 62.300 -0.445 0.000 1.008 459 V CB 0.376 31.713 31.823 -0.808 0.000 0.990 459 V HN 0.039 nan 8.190 nan 0.000 0.477 460 P HA 0.038 nan 4.420 nan 0.000 0.267 460 P C -1.718 175.489 177.300 -0.155 0.000 1.195 460 P CA -0.790 62.221 63.100 -0.147 0.000 0.773 460 P CB 0.042 31.700 31.700 -0.070 0.000 0.837 461 P HA -0.058 nan 4.420 nan 0.000 0.230 461 P C -0.073 177.147 177.300 -0.133 0.000 1.158 461 P CA 1.059 64.062 63.100 -0.162 0.000 0.769 461 P CB 0.146 31.735 31.700 -0.187 0.000 0.807 462 V N -6.337 113.490 119.914 -0.144 0.000 3.049 462 V HA 0.576 4.696 4.120 0.000 0.000 0.309 462 V C 0.317 176.397 176.094 -0.024 0.000 1.148 462 V CA -0.910 61.334 62.300 -0.092 0.000 0.990 462 V CB 1.376 33.131 31.823 -0.113 0.000 1.039 462 V HN -0.103 nan 8.190 nan 0.000 0.430 463 S N 0.985 116.686 115.700 0.002 0.000 3.635 463 S HA -0.193 4.277 4.470 0.000 0.000 0.328 463 S C 1.559 176.129 174.600 -0.050 0.000 1.135 463 S CA 1.221 59.434 58.200 0.022 0.000 0.942 463 S CB -1.632 61.649 63.200 0.136 0.000 0.930 463 S HN 2.075 nan 8.310 nan 0.000 0.512 464 G N 2.534 111.276 108.800 -0.097 0.000 2.764 464 G HA2 -0.365 3.595 3.960 0.000 0.000 0.219 464 G HA3 -0.365 3.595 3.960 0.000 0.000 0.219 464 G C 1.516 176.159 174.900 -0.428 0.000 1.259 464 G CA 1.892 46.906 45.100 -0.143 0.000 0.793 464 G HN 1.339 nan 8.290 nan 0.000 0.633 465 S N 0.252 115.370 115.700 -0.970 0.000 2.474 465 S HA 0.008 4.478 4.470 0.000 0.000 0.235 465 S C 2.112 176.599 174.600 -0.189 0.000 0.997 465 S CA 0.955 58.471 58.200 -1.141 0.000 0.949 465 S CB -0.111 62.457 63.200 -1.055 0.000 0.766 465 S HN 0.192 nan 8.310 nan 0.000 0.517 466 I N 3.041 123.550 120.570 -0.101 0.000 3.001 466 I HA 0.020 4.190 4.170 0.000 0.000 0.268 466 I C 1.406 177.598 176.117 0.125 0.000 1.267 466 I CA 0.629 61.960 61.300 0.052 0.000 1.472 466 I CB -2.164 35.882 38.000 0.077 0.000 1.089 466 I HN 0.522 nan 8.210 nan 0.000 0.468 467 T N -1.342 113.269 114.554 0.096 0.000 2.929 467 T HA 0.356 4.706 4.350 0.000 0.000 0.284 467 T C -1.413 173.431 174.700 0.240 0.000 1.014 467 T CA -1.736 60.446 62.100 0.138 0.000 1.051 467 T CB 2.389 71.288 68.868 0.052 0.000 1.028 467 T HN -0.109 nan 8.240 nan 0.000 0.485 468 P HA -0.076 nan 4.420 nan 0.000 0.217 468 P C 1.874 179.365 177.300 0.319 0.000 1.151 468 P CA 1.152 64.437 63.100 0.308 0.000 0.828 468 P CB -0.372 31.451 31.700 0.205 0.000 0.788 469 V N -3.434 116.617 119.914 0.227 0.000 2.594 469 V HA -0.210 3.910 4.120 0.000 0.000 0.253 469 V C 2.358 178.528 176.094 0.126 0.000 1.069 469 V CA 1.379 63.790 62.300 0.185 0.000 1.082 469 V CB -2.282 29.598 31.823 0.095 0.000 0.680 469 V HN -0.118 nan 8.190 nan 0.000 0.469 470 F N 1.838 121.742 119.950 -0.077 0.000 2.171 470 F HA -0.116 4.412 4.527 0.000 0.000 0.300 470 F C 2.396 178.288 175.800 0.155 0.000 1.090 470 F CA 2.099 60.040 58.000 -0.099 0.000 1.293 470 F CB -0.277 38.554 39.000 -0.282 0.000 1.013 470 F HN 0.295 nan 8.300 nan 0.000 0.486 471 H N -0.919 118.487 119.070 0.559 0.000 2.526 471 H HA 0.115 4.671 4.556 0.000 0.000 0.274 471 H C 0.258 175.827 175.328 0.401 0.000 0.999 471 H CA 0.130 56.463 56.048 0.475 0.000 1.157 471 H CB -0.168 29.857 29.762 0.437 0.000 1.407 471 H HN 0.247 nan 8.280 nan 0.000 0.568 472 Q N 2.071 122.131 119.800 0.434 0.000 2.331 472 Q HA 0.141 4.481 4.340 0.000 0.000 0.257 472 Q C -0.538 175.672 176.000 0.349 0.000 0.957 472 Q CA -0.336 55.669 55.803 0.338 0.000 0.923 472 Q CB 0.658 29.565 28.738 0.282 0.000 1.212 472 Q HN 0.236 nan 8.270 nan 0.000 0.443 473 E N 3.922 124.279 120.200 0.261 0.000 2.373 473 E HA 0.287 4.637 4.350 0.000 0.000 0.267 473 E C -0.445 176.277 176.600 0.203 0.000 1.032 473 E CA 0.296 56.819 56.400 0.205 0.000 0.889 473 E CB 0.689 30.489 29.700 0.167 0.000 0.984 473 E HN 0.622 nan 8.360 nan 0.000 0.425 474 M N 1.766 121.495 119.600 0.214 0.000 2.618 474 M HA 0.444 4.924 4.480 0.000 0.000 0.281 474 M C -1.448 174.969 176.300 0.196 0.000 1.267 474 M CA -1.220 54.223 55.300 0.240 0.000 0.845 474 M CB 1.347 34.128 32.600 0.301 0.000 1.732 474 M HN 0.111 nan 8.290 nan 0.000 0.461 475 L N 2.294 123.652 121.223 0.224 0.000 2.325 475 L HA 0.500 4.840 4.340 0.000 0.000 0.281 475 L C -0.729 176.257 176.870 0.194 0.000 1.004 475 L CA -0.253 54.729 54.840 0.236 0.000 0.823 475 L CB 1.187 43.443 42.059 0.329 0.000 1.236 475 L HN 0.686 nan 8.230 nan 0.000 0.415 476 N N 3.952 122.748 118.700 0.159 0.000 2.426 476 N HA 0.490 5.230 4.740 0.000 0.000 0.257 476 N C -1.376 174.219 175.510 0.141 0.000 1.002 476 N CA -0.109 52.974 53.050 0.056 0.000 0.942 476 N CB 0.466 38.995 38.487 0.070 0.000 1.112 476 N HN 0.407 nan 8.380 nan 0.000 0.499 477 Y N 0.044 120.360 120.300 0.027 0.000 2.597 477 Y HA 0.609 5.159 4.550 0.000 0.000 0.340 477 Y C -1.109 174.751 175.900 -0.068 0.000 1.097 477 Y CA -1.380 56.712 58.100 -0.014 0.000 1.037 477 Y CB 0.561 39.026 38.460 0.009 0.000 1.305 477 Y HN -0.004 nan 8.280 nan 0.000 0.463 478 V N 4.181 124.090 119.914 -0.008 0.000 2.432 478 V HA 0.390 4.510 4.120 0.000 0.000 0.275 478 V C 0.156 176.138 176.094 -0.187 0.000 1.043 478 V CA -0.366 61.707 62.300 -0.378 0.000 0.925 478 V CB 0.684 32.103 31.823 -0.672 0.000 0.985 478 V HN 0.772 nan 8.190 nan 0.000 0.466 479 L N 2.865 124.004 121.223 -0.141 0.000 2.558 479 L HA 0.768 5.108 4.340 0.000 0.000 0.260 479 L C 0.141 177.000 176.870 -0.018 0.000 1.130 479 L CA -0.555 54.288 54.840 0.005 0.000 1.049 479 L CB 1.729 43.842 42.059 0.089 0.000 1.758 479 L HN 0.625 nan 8.230 nan 0.000 0.555 480 S N -0.748 114.978 115.700 0.043 0.000 2.562 480 S HA 0.504 4.974 4.470 0.000 0.000 0.274 480 S C -2.737 171.910 174.600 0.078 0.000 1.160 480 S CA -0.950 57.283 58.200 0.056 0.000 0.933 480 S CB 1.865 65.086 63.200 0.035 0.000 1.100 480 S HN 0.129 nan 8.310 nan 0.000 0.468 481 P HA 0.417 nan 4.420 nan 0.000 0.269 481 P C -1.294 175.968 177.300 -0.064 0.000 1.217 481 P CA -0.020 63.048 63.100 -0.053 0.000 0.783 481 P CB 0.224 31.829 31.700 -0.158 0.000 0.898 482 F N 0.661 120.407 119.950 -0.340 0.000 2.654 482 F HA 0.432 4.960 4.527 0.000 0.000 0.308 482 F C -1.573 173.904 175.800 -0.539 0.000 1.108 482 F CA -0.779 56.927 58.000 -0.490 0.000 0.957 482 F CB 1.209 39.878 39.000 -0.551 0.000 1.309 482 F HN 0.156 nan 8.300 nan 0.000 0.446 483 Y N 4.435 124.183 120.300 -0.920 0.000 2.434 483 Y HA 0.420 4.970 4.550 0.000 0.000 0.341 483 Y C -0.887 174.641 175.900 -0.619 0.000 0.965 483 Y CA -0.788 56.977 58.100 -0.557 0.000 1.205 483 Y CB 0.230 38.375 38.460 -0.525 0.000 1.121 483 Y HN 0.386 nan 8.280 nan 0.000 0.507 484 Y N 1.225 121.563 120.300 0.063 0.000 2.488 484 Y HA 0.389 4.939 4.550 0.000 0.000 0.325 484 Y C -0.226 175.683 175.900 0.015 0.000 1.204 484 Y CA -0.984 57.169 58.100 0.088 0.000 1.229 484 Y CB 0.858 39.430 38.460 0.187 0.000 1.274 484 Y HN 0.399 nan 8.280 nan 0.000 0.493 485 Y N 0.602 121.069 120.300 0.277 0.000 2.295 485 Y HA 0.325 4.875 4.550 0.000 0.000 0.331 485 Y C 0.088 176.048 175.900 0.100 0.000 1.311 485 Y CA -0.837 57.341 58.100 0.130 0.000 1.430 485 Y CB 0.598 39.109 38.460 0.084 0.000 1.339 485 Y HN 0.426 nan 8.280 nan 0.000 0.552 486 Q N 0.554 120.476 119.800 0.203 0.000 2.484 486 Q HA 0.470 4.810 4.340 0.000 0.000 0.285 486 Q C -1.277 174.689 176.000 -0.056 0.000 1.097 486 Q CA -1.184 54.649 55.803 0.050 0.000 0.802 486 Q CB 2.602 31.342 28.738 0.003 0.000 1.444 486 Q HN 0.376 nan 8.270 nan 0.000 0.429 487 I N 1.805 122.305 120.570 -0.117 0.000 2.529 487 I HA 0.033 4.203 4.170 0.000 0.000 0.284 487 I C 0.398 176.295 176.117 -0.367 0.000 1.082 487 I CA 0.227 61.408 61.300 -0.199 0.000 1.406 487 I CB 0.551 38.450 38.000 -0.169 0.000 1.405 487 I HN 0.607 nan 8.210 nan 0.000 0.548 488 E N 8.722 128.612 120.200 -0.517 0.000 2.752 488 E HA -0.074 4.276 4.350 0.000 0.000 0.241 488 E C -1.252 174.668 176.600 -1.133 0.000 1.016 488 E CA -0.942 54.852 56.400 -1.010 0.000 0.952 488 E CB 0.286 29.233 29.700 -1.255 0.000 0.921 488 E HN 0.402 nan 8.360 nan 0.000 0.515 489 P HA -0.228 nan 4.420 nan 0.000 0.217 489 P C 0.973 177.715 177.300 -0.930 0.000 1.158 489 P CA 1.720 64.212 63.100 -1.013 0.000 0.887 489 P CB -0.282 30.572 31.700 -1.410 0.000 0.792 490 W N 0.731 121.507 121.300 -0.873 0.000 2.747 490 W HA 0.066 4.726 4.660 0.000 0.000 0.244 490 W C 1.629 178.143 176.519 -0.008 0.000 1.270 490 W CA 0.407 57.544 57.345 -0.347 0.000 1.333 490 W CB -1.374 28.063 29.460 -0.038 0.000 1.139 490 W HN -0.013 nan 8.180 nan 0.000 0.662 491 K N 0.211 120.473 120.400 -0.230 0.000 2.214 491 K HA 0.027 4.347 4.320 0.000 0.000 0.201 491 K C 1.979 178.562 176.600 -0.028 0.000 1.049 491 K CA 1.563 57.807 56.287 -0.071 0.000 0.978 491 K CB -0.358 32.026 32.500 -0.193 0.000 0.842 491 K HN 0.221 nan 8.250 nan 0.000 0.474 492 T N -1.816 112.677 114.554 -0.102 0.000 3.086 492 T HA 0.031 4.381 4.350 0.000 0.000 0.250 492 T C 0.242 174.932 174.700 -0.016 0.000 1.074 492 T CA -0.255 61.810 62.100 -0.058 0.000 0.988 492 T CB -0.312 68.499 68.868 -0.096 0.000 0.988 492 T HN 0.074 nan 8.240 nan 0.000 0.530 493 H N 1.429 120.442 119.070 -0.095 0.000 2.767 493 H HA 0.442 4.998 4.556 0.000 0.000 0.316 493 H C -0.272 175.015 175.328 -0.068 0.000 1.059 493 H CA -1.093 54.887 56.048 -0.112 0.000 1.461 493 H CB 0.158 29.831 29.762 -0.149 0.000 1.475 493 H HN 0.277 nan 8.280 nan 0.000 0.531 494 I N 6.472 126.659 120.570 -0.638 0.000 2.269 494 I HA 0.019 4.189 4.170 0.000 0.000 0.293 494 I C -0.245 175.498 176.117 -0.624 0.000 1.106 494 I CA -0.414 60.641 61.300 -0.409 0.000 1.248 494 I CB 0.015 37.878 38.000 -0.227 0.000 1.444 494 I HN 0.544 nan 8.210 nan 0.000 0.497 495 W N 4.939 126.046 121.300 -0.322 0.000 2.322 495 W HA 0.199 4.859 4.660 0.000 0.000 0.328 495 W C 1.261 177.746 176.519 -0.057 0.000 1.395 495 W CA 0.234 57.520 57.345 -0.098 0.000 1.267 495 W CB 0.371 29.881 29.460 0.083 0.000 1.259 495 W HN 0.650 nan 8.180 nan 0.000 0.560 496 Q N 2.694 122.625 119.800 0.218 0.000 1.714 496 Q HA 0.131 4.471 4.340 0.000 0.000 0.383 496 Q C 0.989 177.086 176.000 0.162 0.000 0.936 496 Q CA 1.266 57.150 55.803 0.134 0.000 0.888 496 Q CB -1.282 27.508 28.738 0.086 0.000 0.973 496 Q HN 0.689 nan 8.270 nan 0.000 0.420 497 N N 0.000 118.791 118.700 0.152 0.000 1.763 497 N HA 0.000 4.740 4.740 0.000 0.000 0.220 497 N CA 0.000 53.116 53.050 0.111 0.000 0.885 497 N CB 0.000 38.530 38.487 0.072 0.000 1.341 497 N HN 0.000 nan 8.380 nan 0.000 0.667