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 1qjw_1_A DATA FIRST_RESID 86 DATA SEQUENCE ATYSGNPFVG VTPWANAYYA SEVSSLAIPS LTGAMATAAA AVAKVPSFMW DATA SEQUENCE LDTLDKTPLM EQTLADIRTA NKNGGNYAGQ FVVFDLPDRD cAALASNGEY DATA SEQUENCE SIADGGVAKY KNYIDTIRQI VVEYSDIRTL LVIEPDSLAN LVTNLGTPKc DATA SEQUENCE ANAQSAYLEC INYAVTQLNL PNVAMYLDAG HAGWLGWPAN QDPAAQLFAN DATA SEQUENCE VYKNASSPRA LRGLATNVAN YNGWNITSPP SYTQGNAVYN EKLYIHAIGP DATA SEQUENCE LLANHGWSNA FFITDQGRSG KQPTGQQQWG DWcNVIGTGF GIRPSANTGD DATA SEQUENCE SLLDSFVWVK PGGECDGTSD SSAPRFDSHc ALPDALQPAP QAGAWFQAYF DATA SEQUENCE VQLLTNANPS FL 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 86 A HA 0.000 nan 4.320 nan 0.000 0.244 86 A C 0.000 177.653 177.584 0.116 0.000 1.274 86 A CA 0.000 52.069 52.037 0.053 0.000 0.836 86 A CB 0.000 19.025 19.000 0.041 0.000 0.831 87 T N -0.075 114.527 114.554 0.081 0.000 2.856 87 T HA 0.541 4.891 4.350 -0.000 0.000 0.306 87 T C -0.137 174.645 174.700 0.138 0.000 1.062 87 T CA 0.803 62.943 62.100 0.066 0.000 1.083 87 T CB 0.519 69.364 68.868 -0.039 0.000 0.984 87 T HN 1.482 nan 8.240 nan 0.000 0.542 88 Y N -2.137 118.143 120.300 -0.033 0.000 2.705 88 Y HA 0.764 5.313 4.550 -0.000 0.000 0.332 88 Y C -1.035 174.846 175.900 -0.032 0.000 1.221 88 Y CA -1.497 56.583 58.100 -0.034 0.000 1.059 88 Y CB 0.911 39.346 38.460 -0.042 0.000 1.298 88 Y HN 0.730 nan 8.280 nan 0.000 0.459 89 S N 0.497 116.240 115.700 0.071 0.000 2.547 89 S HA 0.728 5.198 4.470 -0.000 0.000 0.281 89 S C 0.115 174.773 174.600 0.097 0.000 1.118 89 S CA -0.299 57.901 58.200 -0.001 0.000 0.947 89 S CB 1.249 64.437 63.200 -0.020 0.000 1.053 89 S HN 1.815 nan 8.310 nan 0.000 0.482 90 G N 3.455 112.286 108.800 0.051 0.000 2.539 90 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.256 90 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.256 90 G C -0.252 174.646 174.900 -0.002 0.000 1.233 90 G CA -0.176 44.908 45.100 -0.025 0.000 0.936 90 G HN 0.773 nan 8.290 nan 0.000 0.571 91 N N 2.729 121.382 118.700 -0.078 0.000 2.434 91 N HA 0.188 4.928 4.740 -0.000 0.000 0.268 91 N C -0.321 175.197 175.510 0.013 0.000 1.256 91 N CA -0.886 52.141 53.050 -0.038 0.000 0.914 91 N CB 1.118 39.585 38.487 -0.033 0.000 1.088 91 N HN 0.295 nan 8.380 nan 0.000 0.478 92 P HA -0.068 nan 4.420 nan 0.000 0.230 92 P C 0.617 177.711 177.300 -0.343 0.000 1.158 92 P CA 0.862 63.682 63.100 -0.468 0.000 0.769 92 P CB 0.001 31.178 31.700 -0.872 0.000 0.807 93 F N -0.536 119.334 119.950 -0.134 0.000 2.776 93 F HA 0.069 4.596 4.527 -0.000 0.000 0.300 93 F C 1.319 177.070 175.800 -0.081 0.000 1.116 93 F CA 0.118 58.059 58.000 -0.098 0.000 1.375 93 F CB -0.138 38.808 39.000 -0.090 0.000 1.109 93 F HN -0.336 nan 8.300 nan 0.000 0.585 94 V N 0.006 119.962 119.914 0.069 0.000 2.509 94 V HA 0.536 4.656 4.120 -0.000 0.000 0.284 94 V C 1.033 177.128 176.094 0.002 0.000 1.047 94 V CA 0.252 62.571 62.300 0.032 0.000 0.952 94 V CB 0.640 32.477 31.823 0.023 0.000 0.988 94 V HN 0.479 nan 8.190 nan 0.000 0.469 95 G N 3.596 112.394 108.800 -0.005 0.000 2.217 95 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.246 95 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.246 95 G C 0.065 174.942 174.900 -0.037 0.000 0.990 95 G CA 0.276 45.366 45.100 -0.016 0.000 0.627 95 G HN 1.497 nan 8.290 nan 0.000 0.522 96 V N -3.078 116.809 119.914 -0.045 0.000 3.155 96 V HA 0.984 5.104 4.120 -0.000 0.000 0.313 96 V C -0.147 175.919 176.094 -0.047 0.000 1.162 96 V CA -0.264 61.997 62.300 -0.065 0.000 1.048 96 V CB 1.891 33.660 31.823 -0.089 0.000 1.092 96 V HN 0.459 nan 8.190 nan 0.000 0.447 97 T N 2.480 117.007 114.554 -0.045 0.000 2.847 97 T HA 0.549 4.899 4.350 -0.000 0.000 0.291 97 T C -2.890 171.913 174.700 0.171 0.000 0.998 97 T CA -1.021 61.091 62.100 0.019 0.000 0.967 97 T CB 1.576 70.380 68.868 -0.108 0.000 0.954 97 T HN 0.680 nan 8.240 nan 0.000 0.441 98 P HA 0.001 nan 4.420 nan 0.000 0.264 98 P C -0.493 176.924 177.300 0.195 0.000 1.193 98 P CA -0.398 62.758 63.100 0.094 0.000 0.763 98 P CB 0.494 32.226 31.700 0.054 0.000 0.810 99 W N 4.710 125.962 121.300 -0.080 0.000 2.315 99 W HA 0.477 5.137 4.660 -0.000 0.000 0.316 99 W C -0.870 175.539 176.519 -0.182 0.000 1.211 99 W CA -0.756 56.485 57.345 -0.174 0.000 1.201 99 W CB 0.880 30.196 29.460 -0.239 0.000 1.184 99 W HN 0.323 nan 8.180 nan 0.000 0.544 100 A N 5.806 128.205 122.820 -0.701 0.000 2.279 100 A HA 0.231 4.550 4.320 -0.000 0.000 0.306 100 A C -0.096 177.049 177.584 -0.731 0.000 1.300 100 A CA -0.593 51.137 52.037 -0.512 0.000 0.925 100 A CB -0.282 18.474 19.000 -0.407 0.000 1.152 100 A HN 0.706 nan 8.150 nan 0.000 0.544 101 N N 1.863 120.442 118.700 -0.202 0.000 2.444 101 N HA 0.365 5.105 4.740 -0.000 0.000 0.255 101 N C 0.836 176.402 175.510 0.093 0.000 1.255 101 N CA 0.142 53.241 53.050 0.081 0.000 0.933 101 N CB 1.012 39.667 38.487 0.281 0.000 1.143 101 N HN 0.416 nan 8.380 nan 0.000 0.453 102 A N 0.348 123.280 122.820 0.185 0.000 2.119 102 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 102 A C 1.660 179.335 177.584 0.152 0.000 1.152 102 A CA 0.464 52.574 52.037 0.123 0.000 0.708 102 A CB -1.108 17.979 19.000 0.144 0.000 0.805 102 A HN 0.814 nan 8.150 nan 0.000 0.460 103 Y N -1.251 119.127 120.300 0.130 0.000 2.109 103 Y HA -0.218 4.332 4.550 -0.000 0.000 0.285 103 Y C 2.193 178.170 175.900 0.129 0.000 1.131 103 Y CA 2.176 60.358 58.100 0.136 0.000 1.121 103 Y CB -0.593 37.990 38.460 0.206 0.000 0.987 103 Y HN 0.397 nan 8.280 nan 0.000 0.495 104 Y N 0.421 120.835 120.300 0.189 0.000 2.242 104 Y HA -0.132 4.417 4.550 -0.000 0.000 0.291 104 Y C 2.402 178.264 175.900 -0.063 0.000 1.137 104 Y CA 1.317 59.476 58.100 0.098 0.000 1.181 104 Y CB -0.877 37.724 38.460 0.235 0.000 0.989 104 Y HN 0.185 nan 8.280 nan 0.000 0.527 105 A N -1.106 121.679 122.820 -0.060 0.000 1.940 105 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 105 A C 2.522 179.928 177.584 -0.296 0.000 1.176 105 A CA 1.983 53.905 52.037 -0.191 0.000 0.631 105 A CB -1.347 17.588 19.000 -0.108 0.000 0.814 105 A HN 0.495 nan 8.150 nan 0.000 0.446 106 S N -0.510 115.030 115.700 -0.265 0.000 2.355 106 S HA -0.192 4.277 4.470 -0.000 0.000 0.222 106 S C 1.893 176.201 174.600 -0.487 0.000 1.031 106 S CA 1.599 59.614 58.200 -0.308 0.000 0.993 106 S CB -0.403 62.648 63.200 -0.247 0.000 0.859 106 S HN 0.660 nan 8.310 nan 0.000 0.453 107 E N 0.121 119.933 120.200 -0.646 0.000 2.058 107 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 107 E C 2.175 177.988 176.600 -1.311 0.000 0.997 107 E CA 1.587 57.391 56.400 -0.992 0.000 0.801 107 E CB -0.299 28.801 29.700 -1.000 0.000 0.746 107 E HN 0.389 nan 8.360 nan 0.000 0.450 108 V N 0.957 120.192 119.914 -1.133 0.000 2.270 108 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 108 V C 2.292 178.022 176.094 -0.607 0.000 1.043 108 V CA 1.946 63.670 62.300 -0.959 0.000 1.014 108 V CB -0.397 31.017 31.823 -0.682 0.000 0.645 108 V HN 0.192 nan 8.190 nan 0.000 0.447 109 S N -0.286 115.146 115.700 -0.447 0.000 2.402 109 S HA -0.131 4.339 4.470 -0.000 0.000 0.229 109 S C 2.038 176.472 174.600 -0.276 0.000 1.021 109 S CA 1.627 59.652 58.200 -0.292 0.000 0.974 109 S CB -0.092 62.976 63.200 -0.220 0.000 0.800 109 S HN 0.575 nan 8.310 nan 0.000 0.484 110 S N 0.155 115.647 115.700 -0.346 0.000 2.505 110 S HA 0.365 4.835 4.470 -0.000 0.000 0.216 110 S C 1.357 175.768 174.600 -0.314 0.000 1.018 110 S CA -0.077 57.955 58.200 -0.280 0.000 0.911 110 S CB 0.228 63.283 63.200 -0.242 0.000 0.818 110 S HN 0.319 nan 8.310 nan 0.000 0.497 111 L N -0.085 120.839 121.223 -0.498 0.000 2.537 111 L HA 0.408 4.748 4.340 -0.000 0.000 0.224 111 L C 2.214 178.858 176.870 -0.376 0.000 1.065 111 L CA 0.605 55.145 54.840 -0.499 0.000 0.860 111 L CB -0.233 41.309 42.059 -0.861 0.000 1.086 111 L HN 0.268 nan 8.230 nan 0.000 0.482 112 A N 0.423 122.963 122.820 -0.467 0.000 1.944 112 A HA 0.125 4.445 4.320 -0.000 0.000 0.209 112 A C 2.060 179.592 177.584 -0.085 0.000 1.328 112 A CA 0.230 52.140 52.037 -0.211 0.000 0.693 112 A CB -0.357 18.343 19.000 -0.500 0.000 0.994 112 A HN 0.133 nan 8.150 nan 0.000 0.485 113 I N 0.591 121.078 120.570 -0.139 0.000 2.194 113 I HA -0.198 3.972 4.170 -0.000 0.000 0.246 113 I C -0.755 175.343 176.117 -0.031 0.000 1.093 113 I CA 1.529 62.797 61.300 -0.054 0.000 1.355 113 I CB -1.070 36.881 38.000 -0.082 0.000 1.046 113 I HN 0.215 nan 8.210 nan 0.000 0.413 114 P HA -0.098 nan 4.420 nan 0.000 0.223 114 P C 1.345 178.643 177.300 -0.003 0.000 1.144 114 P CA 1.256 64.335 63.100 -0.035 0.000 0.783 114 P CB 0.067 31.734 31.700 -0.055 0.000 0.771 115 S N -1.625 114.085 115.700 0.017 0.000 2.535 115 S HA 0.174 4.644 4.470 -0.000 0.000 0.214 115 S C 0.741 175.377 174.600 0.061 0.000 0.980 115 S CA 0.096 58.324 58.200 0.047 0.000 0.907 115 S CB -0.183 63.064 63.200 0.077 0.000 0.790 115 S HN 0.045 nan 8.310 nan 0.000 0.510 116 L N 0.190 121.450 121.223 0.061 0.000 2.331 116 L HA 0.688 5.028 4.340 -0.000 0.000 0.268 116 L C 0.154 177.053 176.870 0.048 0.000 1.015 116 L CA -0.485 54.398 54.840 0.072 0.000 0.807 116 L CB 1.808 43.931 42.059 0.107 0.000 1.293 116 L HN -0.094 nan 8.230 nan 0.000 0.451 117 T N -0.900 113.682 114.554 0.047 0.000 2.843 117 T HA 0.603 4.952 4.350 -0.000 0.000 0.302 117 T C 0.087 174.809 174.700 0.037 0.000 1.232 117 T CA 0.483 62.604 62.100 0.035 0.000 1.009 117 T CB 1.475 70.360 68.868 0.028 0.000 1.254 117 T HN 1.065 nan 8.240 nan 0.000 0.504 118 G N 2.018 110.836 108.800 0.030 0.000 2.634 118 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.309 118 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.309 118 G C 1.393 176.316 174.900 0.039 0.000 1.265 118 G CA 1.104 46.223 45.100 0.031 0.000 0.998 118 G HN 1.695 nan 8.290 nan 0.000 0.551 119 A N -1.735 121.109 122.820 0.041 0.000 1.917 119 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 119 A C 2.639 180.262 177.584 0.065 0.000 1.182 119 A CA 3.379 55.446 52.037 0.050 0.000 0.633 119 A CB -0.395 18.633 19.000 0.046 0.000 0.819 119 A HN 0.665 nan 8.150 nan 0.000 0.448 120 M N -0.618 119.021 119.600 0.065 0.000 2.117 120 M HA -0.127 4.353 4.480 -0.000 0.000 0.262 120 M C 2.550 178.907 176.300 0.095 0.000 1.065 120 M CA 1.639 56.988 55.300 0.082 0.000 1.114 120 M CB -1.476 31.171 32.600 0.078 0.000 1.361 120 M HN 0.503 nan 8.290 nan 0.000 0.408 121 A N -0.474 122.392 122.820 0.076 0.000 1.933 121 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 121 A C 2.310 179.930 177.584 0.060 0.000 1.175 121 A CA 2.270 54.347 52.037 0.067 0.000 0.628 121 A CB -1.076 17.949 19.000 0.042 0.000 0.814 121 A HN 0.481 nan 8.150 nan 0.000 0.444 122 T N -0.073 114.515 114.554 0.057 0.000 2.821 122 T HA 0.069 4.419 4.350 -0.000 0.000 0.267 122 T C 2.215 176.960 174.700 0.075 0.000 1.046 122 T CA 1.343 63.476 62.100 0.055 0.000 1.139 122 T CB -0.345 68.553 68.868 0.051 0.000 0.871 122 T HN 0.582 nan 8.240 nan 0.000 0.454 123 A N 1.429 124.307 122.820 0.097 0.000 1.902 123 A HA 0.178 4.498 4.320 -0.000 0.000 0.217 123 A C 2.623 180.235 177.584 0.048 0.000 1.181 123 A CA 1.753 53.868 52.037 0.131 0.000 0.623 123 A CB -1.047 18.051 19.000 0.164 0.000 0.818 123 A HN 0.490 nan 8.150 nan 0.000 0.443 124 A N -0.064 122.808 122.820 0.086 0.000 1.933 124 A HA 0.136 4.456 4.320 -0.000 0.000 0.218 124 A C 2.479 180.102 177.584 0.065 0.000 1.175 124 A CA 2.067 54.202 52.037 0.163 0.000 0.628 124 A CB -0.974 18.210 19.000 0.306 0.000 0.814 124 A HN 1.075 nan 8.150 nan 0.000 0.444 125 A N -0.187 122.650 122.820 0.030 0.000 1.933 125 A HA 0.144 4.464 4.320 -0.000 0.000 0.218 125 A C 2.463 180.041 177.584 -0.011 0.000 1.175 125 A CA 2.048 54.081 52.037 -0.008 0.000 0.628 125 A CB -0.894 18.105 19.000 -0.003 0.000 0.814 125 A HN 1.049 nan 8.150 nan 0.000 0.444 126 A N -0.584 122.246 122.820 0.016 0.000 1.930 126 A HA 0.048 4.367 4.320 -0.000 0.000 0.217 126 A C 2.184 179.761 177.584 -0.012 0.000 1.175 126 A CA 1.587 53.660 52.037 0.060 0.000 0.627 126 A CB -0.845 18.286 19.000 0.219 0.000 0.815 126 A HN 0.379 nan 8.150 nan 0.000 0.443 127 V N 0.027 119.787 119.914 -0.256 0.000 2.332 127 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 127 V C 2.942 179.044 176.094 0.014 0.000 1.055 127 V CA 1.881 63.943 62.300 -0.397 0.000 1.038 127 V CB -1.190 30.328 31.823 -0.508 0.000 0.651 127 V HN 0.597 nan 8.190 nan 0.000 0.450 128 A N -0.711 122.127 122.820 0.031 0.000 2.178 128 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 128 A C 2.117 179.714 177.584 0.022 0.000 1.157 128 A CA 1.369 53.438 52.037 0.054 0.000 0.689 128 A CB -0.343 18.599 19.000 -0.097 0.000 0.787 128 A HN 0.604 nan 8.150 nan 0.000 0.465 129 K N -0.618 119.768 120.400 -0.023 0.000 2.353 129 K HA 0.212 4.532 4.320 -0.000 0.000 0.195 129 K C -0.391 176.149 176.600 -0.101 0.000 1.031 129 K CA -0.111 56.127 56.287 -0.081 0.000 1.079 129 K CB 0.655 33.116 32.500 -0.065 0.000 0.857 129 K HN 0.246 nan 8.250 nan 0.000 0.535 130 V N 5.031 124.886 119.914 -0.098 0.000 2.488 130 V HA 0.088 4.208 4.120 -0.000 0.000 0.277 130 V C -2.047 173.915 176.094 -0.219 0.000 1.046 130 V CA -1.770 60.377 62.300 -0.255 0.000 0.986 130 V CB 0.646 32.142 31.823 -0.545 0.000 0.989 130 V HN 0.118 nan 8.190 nan 0.000 0.475 131 P HA 0.188 nan 4.420 nan 0.000 0.271 131 P C -0.545 176.721 177.300 -0.056 0.000 1.220 131 P CA 0.099 63.118 63.100 -0.135 0.000 0.768 131 P CB 1.065 32.704 31.700 -0.102 0.000 0.848 132 S N 2.500 118.217 115.700 0.028 0.000 2.632 132 S HA 0.642 5.112 4.470 -0.000 0.000 0.289 132 S C -0.588 174.116 174.600 0.173 0.000 1.115 132 S CA -0.761 57.570 58.200 0.217 0.000 0.889 132 S CB 0.776 64.070 63.200 0.157 0.000 1.116 132 S HN 0.107 nan 8.310 nan 0.000 0.486 133 F N 1.605 121.633 119.950 0.129 0.000 2.412 133 F HA 0.402 4.929 4.527 -0.000 0.000 0.348 133 F C 0.678 176.595 175.800 0.195 0.000 1.102 133 F CA -0.753 57.283 58.000 0.060 0.000 1.196 133 F CB 1.120 40.096 39.000 -0.041 0.000 1.144 133 F HN 0.610 nan 8.300 nan 0.000 0.541 134 M N 4.378 124.120 119.600 0.237 0.000 2.144 134 M HA 0.295 4.775 4.480 -0.000 0.000 0.356 134 M C -1.652 174.923 176.300 0.459 0.000 1.217 134 M CA -0.392 55.141 55.300 0.387 0.000 1.087 134 M CB 0.570 33.380 32.600 0.349 0.000 1.609 134 M HN 0.529 nan 8.290 nan 0.000 0.467 135 W N 6.132 127.573 121.300 0.236 0.000 2.322 135 W HA 0.366 5.025 4.660 -0.000 0.000 0.307 135 W C -0.715 175.933 176.519 0.215 0.000 1.220 135 W CA -0.446 57.043 57.345 0.241 0.000 1.210 135 W CB 0.491 30.072 29.460 0.201 0.000 1.223 135 W HN 0.537 nan 8.180 nan 0.000 0.511 136 L N 5.177 126.666 121.223 0.444 0.000 2.719 136 L HA 0.085 4.425 4.340 -0.000 0.000 0.236 136 L C 1.214 178.352 176.870 0.447 0.000 1.285 136 L CA -0.183 54.875 54.840 0.364 0.000 1.222 136 L CB -0.299 41.936 42.059 0.294 0.000 1.493 136 L HN 0.502 nan 8.230 nan 0.000 0.415 137 D N -0.653 120.005 120.400 0.430 0.000 2.363 137 D HA -0.050 4.589 4.640 -0.000 0.000 0.220 137 D C 0.661 177.032 176.300 0.118 0.000 0.994 137 D CA 0.381 54.608 54.000 0.379 0.000 0.890 137 D CB 0.213 41.292 40.800 0.465 0.000 0.906 137 D HN 0.418 nan 8.370 nan 0.000 0.530 138 T N -3.724 110.902 114.554 0.120 0.000 2.868 138 T HA 0.313 4.663 4.350 -0.000 0.000 0.306 138 T C 0.458 175.237 174.700 0.130 0.000 1.224 138 T CA -0.900 61.210 62.100 0.016 0.000 1.012 138 T CB 1.450 70.323 68.868 0.009 0.000 1.221 138 T HN -0.120 nan 8.240 nan 0.000 0.499 139 L N 0.945 122.242 121.223 0.122 0.000 2.201 139 L HA 0.145 4.485 4.340 -0.000 0.000 0.212 139 L C 1.763 178.719 176.870 0.143 0.000 1.105 139 L CA 1.891 56.877 54.840 0.243 0.000 0.775 139 L CB -0.826 41.396 42.059 0.272 0.000 0.913 139 L HN 0.812 nan 8.230 nan 0.000 0.440 140 D N -0.676 119.780 120.400 0.094 0.000 2.309 140 D HA -0.124 4.516 4.640 -0.000 0.000 0.212 140 D C 1.816 178.156 176.300 0.067 0.000 0.968 140 D CA 0.626 54.669 54.000 0.072 0.000 0.882 140 D CB 0.100 40.936 40.800 0.060 0.000 0.918 140 D HN 0.207 nan 8.370 nan 0.000 0.503 141 K N -0.355 120.092 120.400 0.078 0.000 2.365 141 K HA 0.016 4.336 4.320 -0.000 0.000 0.197 141 K C 1.954 178.567 176.600 0.023 0.000 1.042 141 K CA 0.594 56.911 56.287 0.049 0.000 0.987 141 K CB -0.374 32.170 32.500 0.073 0.000 0.779 141 K HN 0.323 nan 8.250 nan 0.000 0.484 142 T N -0.574 113.998 114.554 0.030 0.000 2.788 142 T HA -0.072 4.278 4.350 -0.000 0.000 0.268 142 T C -1.063 173.601 174.700 -0.060 0.000 1.044 142 T CA 0.618 62.693 62.100 -0.041 0.000 1.139 142 T CB -1.180 67.664 68.868 -0.040 0.000 0.867 142 T HN 0.018 nan 8.240 nan 0.000 0.454 143 P HA 0.093 nan 4.420 nan 0.000 0.220 143 P C 1.746 179.033 177.300 -0.022 0.000 1.148 143 P CA 0.500 63.592 63.100 -0.014 0.000 0.803 143 P CB -0.208 31.501 31.700 0.015 0.000 0.782 144 L N -1.348 119.869 121.223 -0.012 0.000 2.093 144 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 144 L C 2.346 179.200 176.870 -0.025 0.000 1.085 144 L CA 1.359 56.205 54.840 0.010 0.000 0.755 144 L CB -0.401 41.667 42.059 0.014 0.000 0.904 144 L HN 0.028 nan 8.230 nan 0.000 0.435 145 M N -0.329 119.193 119.600 -0.130 0.000 2.117 145 M HA -0.291 4.189 4.480 -0.000 0.000 0.262 145 M C 2.088 178.190 176.300 -0.331 0.000 1.065 145 M CA 2.205 57.295 55.300 -0.351 0.000 1.114 145 M CB -0.190 32.046 32.600 -0.606 0.000 1.361 145 M HN 0.254 nan 8.290 nan 0.000 0.408 146 E N -0.149 119.901 120.200 -0.249 0.000 2.110 146 E HA -0.296 4.054 4.350 -0.000 0.000 0.193 146 E C 2.042 178.493 176.600 -0.248 0.000 0.988 146 E CA 1.603 57.843 56.400 -0.266 0.000 0.804 146 E CB -0.256 29.391 29.700 -0.089 0.000 0.745 146 E HN 0.731 nan 8.360 nan 0.000 0.458 147 Q N -0.206 119.528 119.800 -0.111 0.000 2.084 147 Q HA -0.153 4.186 4.340 -0.000 0.000 0.202 147 Q C 1.939 177.896 176.000 -0.071 0.000 0.978 147 Q CA 2.176 57.947 55.803 -0.052 0.000 0.844 147 Q CB -0.028 28.721 28.738 0.018 0.000 0.898 147 Q HN 0.282 nan 8.270 nan 0.000 0.426 148 T N 1.313 115.847 114.554 -0.034 0.000 2.708 148 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 148 T C 1.790 176.348 174.700 -0.237 0.000 1.037 148 T CA 1.246 63.352 62.100 0.009 0.000 1.146 148 T CB -0.192 68.832 68.868 0.260 0.000 0.865 148 T HN 0.246 nan 8.240 nan 0.000 0.435 149 L N 0.653 121.680 121.223 -0.328 0.000 2.093 149 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 149 L C 3.014 179.521 176.870 -0.605 0.000 1.085 149 L CA 1.040 55.536 54.840 -0.574 0.000 0.755 149 L CB -0.629 40.853 42.059 -0.961 0.000 0.904 149 L HN 0.245 nan 8.230 nan 0.000 0.435 150 A N -0.132 122.387 122.820 -0.500 0.000 1.902 150 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 150 A C 1.918 179.416 177.584 -0.143 0.000 1.181 150 A CA 1.928 53.876 52.037 -0.147 0.000 0.623 150 A CB -0.484 18.499 19.000 -0.028 0.000 0.818 150 A HN 0.326 nan 8.150 nan 0.000 0.443 151 D N 0.095 120.370 120.400 -0.209 0.000 2.117 151 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 151 D C 1.830 177.825 176.300 -0.509 0.000 0.987 151 D CA 1.185 55.052 54.000 -0.221 0.000 0.829 151 D CB -0.339 40.409 40.800 -0.086 0.000 0.961 151 D HN 0.534 nan 8.370 nan 0.000 0.460 152 I N 0.308 120.400 120.570 -0.797 0.000 2.315 152 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 152 I C 2.532 178.454 176.117 -0.325 0.000 1.117 152 I CA 0.733 61.512 61.300 -0.869 0.000 1.404 152 I CB -0.136 37.396 38.000 -0.781 0.000 1.071 152 I HN -0.085 nan 8.210 nan 0.000 0.419 153 R N 0.695 121.090 120.500 -0.175 0.000 2.081 153 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 153 R C 2.256 178.547 176.300 -0.015 0.000 1.131 153 R CA 2.099 58.187 56.100 -0.019 0.000 0.960 153 R CB -0.337 30.029 30.300 0.110 0.000 0.856 153 R HN 0.217 nan 8.270 nan 0.000 0.436 154 T N 0.257 114.791 114.554 -0.034 0.000 2.746 154 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 154 T C 1.788 176.507 174.700 0.032 0.000 1.039 154 T CA 1.350 63.452 62.100 0.004 0.000 1.142 154 T CB -0.352 68.522 68.868 0.009 0.000 0.866 154 T HN 0.468 nan 8.240 nan 0.000 0.444 155 A N 2.310 125.142 122.820 0.019 0.000 1.933 155 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 155 A C 2.172 179.870 177.584 0.189 0.000 1.175 155 A CA 1.427 53.558 52.037 0.157 0.000 0.628 155 A CB -0.568 18.570 19.000 0.229 0.000 0.814 155 A HN 0.376 nan 8.150 nan 0.000 0.444 156 N N -0.318 118.454 118.700 0.121 0.000 2.396 156 N HA -0.098 4.642 4.740 -0.000 0.000 0.180 156 N C 1.490 177.030 175.510 0.051 0.000 1.028 156 N CA 1.251 54.352 53.050 0.086 0.000 0.893 156 N CB -0.268 38.248 38.487 0.047 0.000 0.967 156 N HN 0.687 nan 8.380 nan 0.000 0.440 157 K N 0.845 121.274 120.400 0.048 0.000 2.217 157 K HA 0.078 4.398 4.320 -0.000 0.000 0.202 157 K C 0.377 177.002 176.600 0.042 0.000 1.051 157 K CA 0.803 57.111 56.287 0.035 0.000 0.952 157 K CB 0.023 32.542 32.500 0.031 0.000 0.736 157 K HN 0.202 nan 8.250 nan 0.000 0.453 158 N N -0.395 118.344 118.700 0.065 0.000 2.346 158 N HA 0.077 4.817 4.740 -0.000 0.000 0.225 158 N C 0.051 175.599 175.510 0.064 0.000 1.144 158 N CA 0.245 53.336 53.050 0.069 0.000 0.837 158 N CB 0.900 39.444 38.487 0.094 0.000 1.069 158 N HN 0.376 nan 8.380 nan 0.000 0.487 159 G N -0.057 108.768 108.800 0.043 0.000 2.175 159 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 159 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 159 G C 0.460 175.357 174.900 -0.005 0.000 0.982 159 G CA -0.253 44.857 45.100 0.017 0.000 0.641 159 G HN 0.494 nan 8.290 nan 0.000 0.527 160 G N -0.333 108.491 108.800 0.040 0.000 2.594 160 G HA2 0.422 4.382 3.960 -0.000 0.000 0.243 160 G HA3 0.422 4.382 3.960 -0.000 0.000 0.243 160 G C 0.203 175.029 174.900 -0.123 0.000 1.229 160 G CA 0.481 45.567 45.100 -0.024 0.000 0.843 160 G HN 0.751 nan 8.290 nan 0.000 0.578 161 N N -0.529 117.959 118.700 -0.352 0.000 2.628 161 N HA 0.165 4.905 4.740 -0.000 0.000 0.299 161 N C -1.305 174.068 175.510 -0.228 0.000 1.834 161 N CA -0.520 52.403 53.050 -0.212 0.000 0.871 161 N CB 0.076 38.452 38.487 -0.184 0.000 1.377 161 N HN 0.390 nan 8.380 nan 0.000 0.493 162 Y N 0.477 120.794 120.300 0.028 0.000 2.307 162 Y HA 0.671 5.221 4.550 -0.000 0.000 0.324 162 Y C 0.742 176.616 175.900 -0.043 0.000 1.238 162 Y CA -0.733 57.394 58.100 0.045 0.000 1.280 162 Y CB 1.296 39.857 38.460 0.167 0.000 1.248 162 Y HN 0.174 nan 8.280 nan 0.000 0.508 163 A N 1.003 123.900 122.820 0.128 0.000 2.365 163 A HA 0.749 5.069 4.320 -0.000 0.000 0.318 163 A C -0.013 177.508 177.584 -0.104 0.000 1.091 163 A CA -0.369 51.642 52.037 -0.043 0.000 0.763 163 A CB 0.715 19.629 19.000 -0.144 0.000 1.248 163 A HN 0.880 nan 8.150 nan 0.000 0.442 164 G N 0.239 108.936 108.800 -0.172 0.000 2.420 164 G HA2 0.531 4.491 3.960 -0.000 0.000 0.284 164 G HA3 0.531 4.491 3.960 -0.000 0.000 0.284 164 G C -0.591 173.949 174.900 -0.600 0.000 1.177 164 G CA -0.307 44.582 45.100 -0.352 0.000 0.841 164 G HN 0.719 nan 8.290 nan 0.000 0.527 165 Q N 0.499 119.652 119.800 -1.077 0.000 2.309 165 Q HA 0.500 4.840 4.340 -0.000 0.000 0.270 165 Q C -1.571 173.708 176.000 -1.202 0.000 1.023 165 Q CA -0.313 54.776 55.803 -1.190 0.000 0.758 165 Q CB 2.299 30.051 28.738 -1.644 0.000 1.247 165 Q HN 0.476 nan 8.270 nan 0.000 0.455 166 F N 0.137 120.069 119.950 -0.028 0.000 2.613 166 F HA 0.556 5.083 4.527 -0.000 0.000 0.314 166 F C -0.364 175.547 175.800 0.185 0.000 1.075 166 F CA -1.115 56.949 58.000 0.106 0.000 0.945 166 F CB 1.550 40.571 39.000 0.035 0.000 1.310 166 F HN 0.106 nan 8.300 nan 0.000 0.467 167 V N 2.692 122.726 119.914 0.200 0.000 2.384 167 V HA 0.414 4.534 4.120 -0.000 0.000 0.287 167 V C -0.558 175.599 176.094 0.104 0.000 1.020 167 V CA -0.913 61.322 62.300 -0.108 0.000 0.850 167 V CB 1.540 32.791 31.823 -0.953 0.000 0.987 167 V HN 0.530 nan 8.190 nan 0.000 0.436 168 V N 6.003 126.015 119.914 0.165 0.000 2.408 168 V HA 0.347 4.467 4.120 -0.000 0.000 0.267 168 V C -0.386 175.978 176.094 0.449 0.000 1.047 168 V CA 0.034 62.532 62.300 0.329 0.000 0.937 168 V CB 0.502 32.492 31.823 0.278 0.000 0.999 168 V HN 0.752 nan 8.190 nan 0.000 0.472 169 F N 4.830 124.975 119.950 0.326 0.000 2.946 169 F HA 0.475 5.002 4.527 0.000 0.000 0.375 169 F C -0.258 175.648 175.800 0.176 0.000 1.320 169 F CA -0.653 57.501 58.000 0.257 0.000 1.181 169 F CB 0.990 40.191 39.000 0.335 0.000 2.051 169 F HN 0.476 nan 8.300 nan 0.000 0.622 170 D N 3.300 123.666 120.400 -0.058 0.000 2.822 170 D HA 0.228 4.868 4.640 -0.000 0.000 0.327 170 D C -0.185 176.124 176.300 0.014 0.000 1.577 170 D CA 0.166 53.987 54.000 -0.299 0.000 0.785 170 D CB 0.338 40.632 40.800 -0.844 0.000 1.199 170 D HN 0.330 nan 8.370 nan 0.000 0.443 171 L N 1.820 122.991 121.223 -0.087 0.000 2.483 171 L HA 0.216 4.556 4.340 -0.000 0.000 0.276 171 L C -1.693 175.140 176.870 -0.062 0.000 1.213 171 L CA -0.909 53.770 54.840 -0.268 0.000 0.843 171 L CB 0.309 42.087 42.059 -0.469 0.000 1.107 171 L HN 0.020 nan 8.230 nan 0.000 0.487 172 P HA 0.047 nan 4.420 nan 0.000 0.275 172 P C -0.804 176.571 177.300 0.125 0.000 1.227 172 P CA -0.132 63.033 63.100 0.108 0.000 0.781 172 P CB 0.743 32.493 31.700 0.084 0.000 0.906 173 D N -1.093 119.366 120.400 0.098 0.000 2.699 173 D HA -0.184 4.456 4.640 -0.000 0.000 0.239 173 D C 0.454 176.855 176.300 0.169 0.000 1.136 173 D CA 0.947 55.007 54.000 0.100 0.000 0.668 173 D CB -1.227 39.615 40.800 0.070 0.000 1.060 173 D HN 0.467 nan 8.370 nan 0.000 0.429 174 R N 0.626 121.168 120.500 0.069 0.000 2.734 174 R HA 0.167 4.507 4.340 -0.000 0.000 0.266 174 R C 0.401 176.748 176.300 0.079 0.000 1.044 174 R CA 0.298 56.401 56.100 0.005 0.000 1.128 174 R CB 0.395 30.554 30.300 -0.236 0.000 1.010 174 R HN 0.147 nan 8.270 nan 0.000 0.461 175 D N 1.682 122.165 120.400 0.138 0.000 2.689 175 D HA -0.196 4.444 4.640 -0.000 0.000 0.237 175 D C 1.117 177.491 176.300 0.123 0.000 1.148 175 D CA 1.017 55.103 54.000 0.144 0.000 0.656 175 D CB -1.103 39.758 40.800 0.102 0.000 1.050 175 D HN 0.672 nan 8.370 nan 0.000 0.426 176 c N -1.069 117.645 118.600 0.190 0.000 2.403 176 c HA 0.066 4.636 4.570 -0.000 0.000 0.279 176 c C 2.581 176.709 174.090 0.063 0.000 1.269 176 c CA 1.151 57.544 56.329 0.107 0.000 1.774 176 c CB -1.376 41.166 42.510 0.052 0.000 1.993 176 c HN 0.649 nan 8.230 nan 0.000 0.496 177 A N 0.383 123.244 122.820 0.069 0.000 2.178 177 A HA 0.687 5.007 4.320 -0.000 0.000 0.211 177 A C 1.307 178.896 177.584 0.007 0.000 1.157 177 A CA 0.949 53.006 52.037 0.033 0.000 0.780 177 A CB -0.433 18.587 19.000 0.032 0.000 0.828 177 A HN 1.035 nan 8.150 nan 0.000 0.476 178 A N -1.438 121.379 122.820 -0.005 0.000 2.464 178 A HA 0.795 5.115 4.320 -0.000 0.000 0.268 178 A C 0.289 177.906 177.584 0.054 0.000 1.244 178 A CA -0.320 51.727 52.037 0.017 0.000 0.871 178 A CB 0.414 19.342 19.000 -0.120 0.000 1.400 178 A HN 0.239 nan 8.150 nan 0.000 0.455 179 L N -1.546 119.732 121.223 0.091 0.000 2.902 179 L HA 0.219 4.558 4.340 -0.000 0.000 0.254 179 L C 2.305 179.231 176.870 0.093 0.000 1.115 179 L CA 0.920 55.808 54.840 0.080 0.000 0.947 179 L CB 0.038 42.138 42.059 0.069 0.000 1.369 179 L HN 0.745 nan 8.230 nan 0.000 0.538 180 A N -0.194 122.708 122.820 0.137 0.000 1.933 180 A HA -0.079 4.240 4.320 -0.000 0.000 0.218 180 A C 1.881 179.535 177.584 0.116 0.000 1.175 180 A CA 1.737 53.865 52.037 0.152 0.000 0.628 180 A CB -0.212 18.957 19.000 0.283 0.000 0.814 180 A HN 0.276 nan 8.150 nan 0.000 0.444 181 S N 0.188 115.947 115.700 0.098 0.000 2.562 181 S HA 0.161 4.630 4.470 -0.000 0.000 0.246 181 S C 0.162 174.800 174.600 0.063 0.000 1.056 181 S CA -0.654 57.614 58.200 0.113 0.000 1.042 181 S CB -0.546 62.777 63.200 0.204 0.000 0.822 181 S HN 0.616 nan 8.310 nan 0.000 0.465 182 N N 2.247 120.972 118.700 0.041 0.000 2.407 182 N HA 0.247 4.987 4.740 -0.000 0.000 0.250 182 N C 0.600 176.088 175.510 -0.037 0.000 1.236 182 N CA 0.617 53.672 53.050 0.007 0.000 0.879 182 N CB 0.435 38.935 38.487 0.023 0.000 1.088 182 N HN 0.322 nan 8.380 nan 0.000 0.450 183 G N 1.256 110.002 108.800 -0.090 0.000 2.568 183 G HA2 0.168 4.128 3.960 -0.000 0.000 0.293 183 G HA3 0.168 4.128 3.960 -0.000 0.000 0.293 183 G C 0.418 175.222 174.900 -0.159 0.000 1.347 183 G CA -0.224 44.781 45.100 -0.158 0.000 1.039 183 G HN 0.790 nan 8.290 nan 0.000 0.523 184 E N -1.576 118.445 120.200 -0.298 0.000 2.358 184 E HA -0.007 4.343 4.350 -0.000 0.000 0.195 184 E C -0.613 175.805 176.600 -0.302 0.000 1.010 184 E CA 0.487 56.675 56.400 -0.354 0.000 0.856 184 E CB -0.079 29.299 29.700 -0.537 0.000 0.795 184 E HN 0.342 nan 8.360 nan 0.000 0.504 185 Y N 1.474 121.749 120.300 -0.040 0.000 2.409 185 Y HA 0.386 4.936 4.550 -0.000 0.000 0.339 185 Y C 0.076 175.969 175.900 -0.012 0.000 1.033 185 Y CA -1.712 56.376 58.100 -0.020 0.000 1.094 185 Y CB 2.045 40.497 38.460 -0.014 0.000 1.210 185 Y HN -0.002 nan 8.280 nan 0.000 0.456 186 S N 1.718 117.524 115.700 0.175 0.000 2.521 186 S HA 0.517 4.986 4.470 -0.000 0.000 0.295 186 S C 0.539 175.181 174.600 0.068 0.000 1.098 186 S CA -0.788 57.468 58.200 0.093 0.000 0.999 186 S CB 0.913 64.151 63.200 0.063 0.000 1.034 186 S HN 0.661 nan 8.310 nan 0.000 0.483 187 I N 1.959 122.556 120.570 0.046 0.000 2.194 187 I HA -0.236 3.934 4.170 -0.000 0.000 0.246 187 I C 2.883 179.007 176.117 0.011 0.000 1.093 187 I CA 1.790 63.102 61.300 0.021 0.000 1.355 187 I CB -0.735 37.267 38.000 0.004 0.000 1.046 187 I HN 0.882 nan 8.210 nan 0.000 0.413 188 A N -0.248 122.580 122.820 0.014 0.000 1.940 188 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 188 A C 1.435 179.027 177.584 0.013 0.000 1.176 188 A CA 1.903 53.946 52.037 0.010 0.000 0.631 188 A CB -0.463 18.544 19.000 0.011 0.000 0.814 188 A HN 0.412 nan 8.150 nan 0.000 0.446 189 D N -1.083 119.332 120.400 0.025 0.000 2.781 189 D HA 0.411 5.050 4.640 -0.000 0.000 0.254 189 D C 0.917 177.227 176.300 0.018 0.000 1.213 189 D CA 0.486 54.502 54.000 0.026 0.000 0.994 189 D CB -0.791 40.035 40.800 0.043 0.000 1.019 189 D HN 0.482 nan 8.370 nan 0.000 0.514 190 G N 1.257 110.056 108.800 -0.003 0.000 2.321 190 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.287 190 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.287 190 G C 1.239 176.106 174.900 -0.055 0.000 1.018 190 G CA 0.394 45.478 45.100 -0.027 0.000 0.855 190 G HN 0.596 nan 8.290 nan 0.000 0.507 191 G N -0.668 108.117 108.800 -0.026 0.000 2.440 191 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.218 191 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.218 191 G C 1.785 176.646 174.900 -0.065 0.000 1.154 191 G CA 1.795 46.875 45.100 -0.033 0.000 0.767 191 G HN 0.854 nan 8.290 nan 0.000 0.552 192 V N 1.425 121.314 119.914 -0.041 0.000 2.343 192 V HA -0.112 4.008 4.120 -0.000 0.000 0.247 192 V C 3.314 179.368 176.094 -0.066 0.000 1.051 192 V CA 1.999 64.279 62.300 -0.032 0.000 1.036 192 V CB -0.824 30.976 31.823 -0.039 0.000 0.654 192 V HN 0.483 nan 8.190 nan 0.000 0.451 193 A N -0.321 122.439 122.820 -0.100 0.000 1.902 193 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 193 A C 2.272 179.757 177.584 -0.166 0.000 1.181 193 A CA 1.549 53.510 52.037 -0.127 0.000 0.623 193 A CB -0.387 18.554 19.000 -0.100 0.000 0.818 193 A HN 0.403 nan 8.150 nan 0.000 0.443 194 K N -1.197 119.053 120.400 -0.250 0.000 2.057 194 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 194 K C 1.825 178.175 176.600 -0.417 0.000 1.049 194 K CA 1.571 57.574 56.287 -0.473 0.000 0.931 194 K CB -0.808 31.096 32.500 -0.994 0.000 0.714 194 K HN 0.653 nan 8.250 nan 0.000 0.440 195 Y N 2.384 122.457 120.300 -0.378 0.000 2.145 195 Y HA -0.218 4.331 4.550 -0.000 0.000 0.286 195 Y C 2.033 177.967 175.900 0.056 0.000 1.145 195 Y CA 1.761 59.800 58.100 -0.100 0.000 1.148 195 Y CB 0.020 38.457 38.460 -0.039 0.000 0.981 195 Y HN -0.006 nan 8.280 nan 0.000 0.507 196 K N -0.253 120.121 120.400 -0.043 0.000 2.103 196 K HA -0.241 4.079 4.320 -0.000 0.000 0.207 196 K C 1.919 178.495 176.600 -0.041 0.000 1.048 196 K CA 1.568 57.722 56.287 -0.222 0.000 0.930 196 K CB -0.366 31.756 32.500 -0.631 0.000 0.716 196 K HN 0.326 nan 8.250 nan 0.000 0.444 197 N N 0.604 119.265 118.700 -0.065 0.000 2.166 197 N HA -0.225 4.515 4.740 -0.000 0.000 0.186 197 N C 1.759 177.282 175.510 0.020 0.000 1.019 197 N CA 1.077 54.116 53.050 -0.018 0.000 0.856 197 N CB -0.202 38.261 38.487 -0.040 0.000 0.993 197 N HN 0.245 nan 8.380 nan 0.000 0.426 198 Y N 0.654 120.873 120.300 -0.136 0.000 2.145 198 Y HA -0.094 4.455 4.550 -0.000 0.000 0.286 198 Y C 1.874 177.686 175.900 -0.147 0.000 1.145 198 Y CA 1.443 59.470 58.100 -0.121 0.000 1.148 198 Y CB -0.291 38.078 38.460 -0.153 0.000 0.981 198 Y HN 0.069 nan 8.280 nan 0.000 0.507 199 I N 0.741 121.160 120.570 -0.252 0.000 2.315 199 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 199 I C 1.804 177.837 176.117 -0.139 0.000 1.117 199 I CA 1.517 62.666 61.300 -0.252 0.000 1.404 199 I CB -1.290 36.733 38.000 0.038 0.000 1.071 199 I HN 0.306 nan 8.210 nan 0.000 0.419 200 D N 0.587 120.982 120.400 -0.008 0.000 2.117 200 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 200 D C 2.153 178.410 176.300 -0.072 0.000 0.987 200 D CA 1.564 55.559 54.000 -0.009 0.000 0.829 200 D CB -0.348 40.478 40.800 0.044 0.000 0.961 200 D HN 0.260 nan 8.370 nan 0.000 0.460 201 T N 1.172 115.668 114.554 -0.096 0.000 2.720 201 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 201 T C 2.232 176.839 174.700 -0.155 0.000 1.037 201 T CA 0.634 62.672 62.100 -0.103 0.000 1.144 201 T CB -0.164 68.654 68.868 -0.084 0.000 0.864 201 T HN 0.173 nan 8.240 nan 0.000 0.444 202 I N 0.558 120.976 120.570 -0.252 0.000 2.202 202 I HA -0.127 4.043 4.170 -0.000 0.000 0.242 202 I C 2.841 178.851 176.117 -0.179 0.000 1.091 202 I CA 1.140 62.279 61.300 -0.269 0.000 1.368 202 I CB -0.391 37.377 38.000 -0.386 0.000 1.058 202 I HN 0.123 nan 8.210 nan 0.000 0.410 203 R N 1.158 121.566 120.500 -0.153 0.000 2.091 203 R HA -0.220 4.120 4.340 -0.000 0.000 0.238 203 R C 2.246 178.499 176.300 -0.079 0.000 1.136 203 R CA 1.689 57.723 56.100 -0.111 0.000 0.959 203 R CB -0.166 30.066 30.300 -0.114 0.000 0.856 203 R HN 0.460 nan 8.270 nan 0.000 0.437 204 Q N -0.014 119.743 119.800 -0.072 0.000 2.170 204 Q HA -0.152 4.188 4.340 -0.000 0.000 0.203 204 Q C 2.190 178.172 176.000 -0.029 0.000 0.976 204 Q CA 1.471 57.244 55.803 -0.049 0.000 0.858 204 Q CB -0.047 28.666 28.738 -0.042 0.000 0.907 204 Q HN 0.482 nan 8.270 nan 0.000 0.433 205 I N -0.087 120.463 120.570 -0.034 0.000 2.286 205 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 205 I C 2.158 178.324 176.117 0.080 0.000 1.104 205 I CA 0.643 61.959 61.300 0.025 0.000 1.397 205 I CB -0.099 37.860 38.000 -0.069 0.000 1.072 205 I HN 0.003 nan 8.210 nan 0.000 0.417 206 V N 0.430 120.342 119.914 -0.005 0.000 2.427 206 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 206 V C 2.413 178.524 176.094 0.029 0.000 1.051 206 V CA 1.318 63.629 62.300 0.018 0.000 1.048 206 V CB -0.291 31.518 31.823 -0.023 0.000 0.666 206 V HN 0.230 nan 8.190 nan 0.000 0.456 207 V N -0.023 119.885 119.914 -0.008 0.000 2.358 207 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 207 V C 2.441 178.503 176.094 -0.052 0.000 1.047 207 V CA 2.236 64.518 62.300 -0.030 0.000 1.035 207 V CB -0.524 31.272 31.823 -0.044 0.000 0.658 207 V HN 0.663 nan 8.190 nan 0.000 0.452 208 E N -0.521 119.641 120.200 -0.063 0.000 2.153 208 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 208 E C 0.751 177.124 176.600 -0.379 0.000 0.988 208 E CA 1.139 57.418 56.400 -0.201 0.000 0.811 208 E CB 0.016 29.594 29.700 -0.204 0.000 0.746 208 E HN 0.739 nan 8.360 nan 0.000 0.466 209 Y N 0.236 120.504 120.300 -0.053 0.000 2.839 209 Y HA 0.233 4.783 4.550 -0.000 0.000 0.361 209 Y C 1.323 177.201 175.900 -0.036 0.000 1.008 209 Y CA -0.341 57.730 58.100 -0.047 0.000 1.534 209 Y CB 0.727 39.154 38.460 -0.055 0.000 1.395 209 Y HN -0.027 nan 8.280 nan 0.000 0.534 210 S N 0.009 115.717 115.700 0.014 0.000 2.442 210 S HA -0.183 4.287 4.470 -0.000 0.000 0.236 210 S C 1.728 176.342 174.600 0.023 0.000 1.007 210 S CA 1.531 59.739 58.200 0.014 0.000 0.965 210 S CB -0.126 63.062 63.200 -0.020 0.000 0.773 210 S HN 0.730 nan 8.310 nan 0.000 0.504 211 D N 0.675 121.086 120.400 0.019 0.000 2.371 211 D HA -0.058 4.582 4.640 -0.000 0.000 0.221 211 D C 0.243 176.568 176.300 0.042 0.000 0.986 211 D CA 0.388 54.400 54.000 0.021 0.000 0.899 211 D CB -0.083 40.719 40.800 0.004 0.000 0.902 211 D HN 0.264 nan 8.370 nan 0.000 0.530 212 I N 1.266 121.877 120.570 0.069 0.000 2.362 212 I HA 0.262 4.431 4.170 -0.000 0.000 0.289 212 I C 0.454 176.590 176.117 0.032 0.000 0.994 212 I CA -1.221 60.108 61.300 0.048 0.000 1.158 212 I CB 1.317 39.352 38.000 0.058 0.000 1.315 212 I HN -0.184 nan 8.210 nan 0.000 0.451 213 R N 4.018 124.517 120.500 -0.001 0.000 2.421 213 R HA 0.232 4.571 4.340 -0.000 0.000 0.305 213 R C -0.618 175.650 176.300 -0.054 0.000 1.039 213 R CA 0.466 56.548 56.100 -0.029 0.000 1.003 213 R CB 0.279 30.530 30.300 -0.083 0.000 0.959 213 R HN 0.652 nan 8.270 nan 0.000 0.427 214 T N 6.591 121.131 114.554 -0.022 0.000 2.791 214 T HA 0.341 4.691 4.350 -0.000 0.000 0.288 214 T C -0.445 174.242 174.700 -0.021 0.000 0.999 214 T CA -0.623 61.484 62.100 0.012 0.000 0.952 214 T CB 0.602 69.534 68.868 0.108 0.000 0.938 214 T HN 0.387 nan 8.240 nan 0.000 0.444 215 L N 4.678 125.849 121.223 -0.086 0.000 2.282 215 L HA 0.619 4.959 4.340 -0.000 0.000 0.288 215 L C -0.476 176.517 176.870 0.206 0.000 1.033 215 L CA -0.760 54.069 54.840 -0.019 0.000 0.807 215 L CB 0.776 42.690 42.059 -0.242 0.000 1.209 215 L HN 0.378 nan 8.230 nan 0.000 0.423 216 L N 3.845 125.257 121.223 0.315 0.000 2.381 216 L HA 0.639 4.979 4.340 -0.000 0.000 0.268 216 L C -0.645 176.420 176.870 0.325 0.000 0.997 216 L CA -0.965 54.080 54.840 0.341 0.000 0.818 216 L CB 2.636 44.830 42.059 0.224 0.000 1.310 216 L HN 0.212 nan 8.230 nan 0.000 0.416 217 V N 3.865 123.894 119.914 0.191 0.000 2.370 217 V HA 0.372 4.492 4.120 -0.000 0.000 0.283 217 V C 0.007 176.121 176.094 0.034 0.000 1.023 217 V CA -0.486 61.824 62.300 0.017 0.000 0.857 217 V CB 1.864 33.508 31.823 -0.299 0.000 0.985 217 V HN 0.392 nan 8.190 nan 0.000 0.443 218 I N 4.772 125.388 120.570 0.076 0.000 2.304 218 I HA 0.334 4.504 4.170 -0.000 0.000 0.291 218 I C 0.582 176.761 176.117 0.104 0.000 1.018 218 I CA -0.448 60.919 61.300 0.111 0.000 1.260 218 I CB 0.631 38.707 38.000 0.128 0.000 1.390 218 I HN 0.677 nan 8.210 nan 0.000 0.475 219 E N 4.603 124.901 120.200 0.164 0.000 2.452 219 E HA -0.193 4.157 4.350 -0.000 0.000 0.155 219 E C -2.319 174.379 176.600 0.163 0.000 1.746 219 E CA 0.105 56.634 56.400 0.215 0.000 0.636 219 E CB -1.112 28.663 29.700 0.124 0.000 1.069 219 E HN 0.396 nan 8.360 nan 0.000 0.335 220 P HA 0.039 nan 4.420 nan 0.000 0.269 220 P C 0.214 177.636 177.300 0.202 0.000 1.215 220 P CA 0.151 63.290 63.100 0.064 0.000 0.780 220 P CB 0.463 32.117 31.700 -0.076 0.000 0.898 221 D N -0.035 120.475 120.400 0.184 0.000 2.699 221 D HA -0.160 4.480 4.640 -0.000 0.000 0.239 221 D C 0.295 176.731 176.300 0.227 0.000 1.136 221 D CA 1.399 55.558 54.000 0.265 0.000 0.668 221 D CB -1.186 39.781 40.800 0.278 0.000 1.060 221 D HN 0.331 nan 8.370 nan 0.000 0.429 222 S N -1.440 114.331 115.700 0.118 0.000 3.600 222 S HA 0.234 4.704 4.470 -0.000 0.000 0.179 222 S C 1.996 176.696 174.600 0.167 0.000 0.816 222 S CA 0.053 58.258 58.200 0.010 0.000 0.916 222 S CB -0.532 62.486 63.200 -0.302 0.000 1.164 222 S HN 0.153 nan 8.310 nan 0.000 0.709 223 L N 2.337 123.633 121.223 0.121 0.000 2.129 223 L HA -0.065 4.274 4.340 -0.000 0.000 0.212 223 L C 3.120 179.998 176.870 0.013 0.000 1.087 223 L CA 1.455 56.382 54.840 0.145 0.000 0.757 223 L CB -0.935 41.267 42.059 0.238 0.000 0.896 223 L HN 0.629 nan 8.230 nan 0.000 0.434 224 A N 0.204 122.954 122.820 -0.117 0.000 1.978 224 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 224 A C 2.062 179.469 177.584 -0.294 0.000 1.170 224 A CA 1.825 53.538 52.037 -0.540 0.000 0.636 224 A CB -0.538 17.637 19.000 -1.375 0.000 0.810 224 A HN 0.486 nan 8.150 nan 0.000 0.448 225 N N 0.113 118.865 118.700 0.086 0.000 2.244 225 N HA -0.057 4.683 4.740 -0.000 0.000 0.183 225 N C 1.528 177.126 175.510 0.146 0.000 1.016 225 N CA 1.188 54.416 53.050 0.297 0.000 0.866 225 N CB -0.322 38.359 38.487 0.324 0.000 0.980 225 N HN 0.541 nan 8.380 nan 0.000 0.430 226 L N 0.449 121.718 121.223 0.078 0.000 2.376 226 L HA -0.028 4.312 4.340 -0.000 0.000 0.219 226 L C 1.995 178.854 176.870 -0.019 0.000 1.133 226 L CA 0.345 55.196 54.840 0.018 0.000 0.816 226 L CB -0.159 41.909 42.059 0.016 0.000 0.933 226 L HN -0.053 nan 8.230 nan 0.000 0.449 227 V N -0.637 119.252 119.914 -0.041 0.000 2.446 227 V HA -0.134 3.986 4.120 -0.000 0.000 0.244 227 V C 2.363 178.464 176.094 0.013 0.000 1.039 227 V CA 2.150 64.413 62.300 -0.061 0.000 1.045 227 V CB -0.221 31.516 31.823 -0.143 0.000 0.681 227 V HN 0.629 nan 8.190 nan 0.000 0.459 228 T N -3.895 110.719 114.554 0.100 0.000 2.959 228 T HA 0.130 4.480 4.350 -0.000 0.000 0.254 228 T C 0.893 175.658 174.700 0.108 0.000 1.003 228 T CA 0.024 62.203 62.100 0.132 0.000 0.950 228 T CB -0.041 68.982 68.868 0.258 0.000 1.090 228 T HN 0.343 nan 8.240 nan 0.000 0.503 229 N N 1.224 119.997 118.700 0.121 0.000 2.328 229 N HA 0.376 5.116 4.740 -0.000 0.000 0.247 229 N C 0.977 176.508 175.510 0.036 0.000 1.165 229 N CA -0.107 52.990 53.050 0.080 0.000 0.873 229 N CB 0.483 39.037 38.487 0.111 0.000 1.125 229 N HN 0.366 nan 8.380 nan 0.000 0.513 230 L N -0.352 120.882 121.223 0.018 0.000 2.456 230 L HA 0.031 4.370 4.340 -0.000 0.000 0.224 230 L C 2.056 178.921 176.870 -0.008 0.000 1.148 230 L CA 0.650 55.486 54.840 -0.008 0.000 0.825 230 L CB -0.252 41.798 42.059 -0.015 0.000 0.937 230 L HN 0.222 nan 8.230 nan 0.000 0.450 231 G N -0.875 107.926 108.800 0.001 0.000 2.679 231 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.212 231 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.212 231 G C 0.638 175.538 174.900 0.000 0.000 1.137 231 G CA 0.134 45.233 45.100 -0.001 0.000 0.787 231 G HN 0.208 nan 8.290 nan 0.000 0.534 232 T N 1.924 116.479 114.554 0.002 0.000 2.744 232 T HA 0.347 4.697 4.350 -0.000 0.000 0.291 232 T C -1.484 173.208 174.700 -0.013 0.000 0.957 232 T CA -1.064 61.037 62.100 0.002 0.000 1.002 232 T CB 2.237 71.112 68.868 0.012 0.000 0.919 232 T HN -0.130 nan 8.240 nan 0.000 0.468 233 P HA -0.183 nan 4.420 nan 0.000 0.215 233 P C 1.586 178.864 177.300 -0.037 0.000 1.163 233 P CA 1.062 64.149 63.100 -0.021 0.000 0.894 233 P CB 0.253 31.947 31.700 -0.011 0.000 0.791 234 K N -0.902 119.480 120.400 -0.030 0.000 2.103 234 K HA -0.180 4.139 4.320 -0.000 0.000 0.207 234 K C 1.777 178.317 176.600 -0.099 0.000 1.048 234 K CA 1.721 57.981 56.287 -0.045 0.000 0.930 234 K CB -0.535 31.956 32.500 -0.015 0.000 0.716 234 K HN 0.156 nan 8.250 nan 0.000 0.444 235 c N -0.168 118.378 118.600 -0.090 0.000 2.500 235 c HA 0.092 4.662 4.570 -0.000 0.000 0.279 235 c C 2.824 176.809 174.090 -0.175 0.000 1.288 235 c CA 0.580 56.816 56.329 -0.154 0.000 1.710 235 c CB -0.731 41.744 42.510 -0.059 0.000 2.052 235 c HN 0.640 nan 8.230 nan 0.000 0.488 236 A N 1.760 124.519 122.820 -0.102 0.000 1.917 236 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 236 A C 1.761 179.282 177.584 -0.105 0.000 1.182 236 A CA 2.108 54.093 52.037 -0.087 0.000 0.633 236 A CB -0.609 18.359 19.000 -0.053 0.000 0.819 236 A HN 0.682 nan 8.150 nan 0.000 0.448 237 N N -0.190 118.447 118.700 -0.105 0.000 2.494 237 N HA 0.094 4.834 4.740 -0.000 0.000 0.182 237 N C 1.269 176.694 175.510 -0.141 0.000 1.076 237 N CA 1.035 54.027 53.050 -0.097 0.000 0.908 237 N CB -0.165 38.281 38.487 -0.068 0.000 0.967 237 N HN 0.508 nan 8.380 nan 0.000 0.449 238 A N 0.276 122.949 122.820 -0.245 0.000 2.308 238 A HA 0.083 4.403 4.320 -0.000 0.000 0.217 238 A C 1.905 179.227 177.584 -0.437 0.000 1.216 238 A CA -0.122 51.685 52.037 -0.383 0.000 0.864 238 A CB 0.047 18.655 19.000 -0.654 0.000 0.902 238 A HN 0.134 nan 8.150 nan 0.000 0.499 239 Q N 0.681 120.304 119.800 -0.295 0.000 1.978 239 Q HA -0.269 4.070 4.340 -0.000 0.000 0.211 239 Q C 2.469 178.435 176.000 -0.058 0.000 1.013 239 Q CA 2.625 58.328 55.803 -0.167 0.000 0.869 239 Q CB -0.463 28.216 28.738 -0.098 0.000 0.953 239 Q HN 0.816 nan 8.270 nan 0.000 0.415 240 S N 0.479 116.151 115.700 -0.047 0.000 2.383 240 S HA -0.143 4.327 4.470 -0.000 0.000 0.229 240 S C 2.155 176.764 174.600 0.016 0.000 1.030 240 S CA 1.038 59.233 58.200 -0.009 0.000 1.002 240 S CB -0.426 62.764 63.200 -0.017 0.000 0.829 240 S HN 0.441 nan 8.310 nan 0.000 0.467 241 A N 0.929 123.753 122.820 0.007 0.000 1.877 241 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 241 A C 2.105 179.758 177.584 0.116 0.000 1.186 241 A CA 1.422 53.482 52.037 0.038 0.000 0.620 241 A CB -1.194 17.823 19.000 0.029 0.000 0.822 241 A HN 0.526 nan 8.150 nan 0.000 0.443 242 Y N 0.223 120.479 120.300 -0.074 0.000 2.128 242 Y HA -0.185 4.365 4.550 -0.000 0.000 0.284 242 Y C 2.297 178.170 175.900 -0.045 0.000 1.154 242 Y CA 1.176 59.230 58.100 -0.077 0.000 1.149 242 Y CB -0.901 37.536 38.460 -0.037 0.000 0.976 242 Y HN 0.204 nan 8.280 nan 0.000 0.505 243 L N -0.548 120.769 121.223 0.158 0.000 2.056 243 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 243 L C 2.457 179.372 176.870 0.075 0.000 1.078 243 L CA 1.688 56.586 54.840 0.096 0.000 0.749 243 L CB -0.565 41.535 42.059 0.069 0.000 0.901 243 L HN 0.215 nan 8.230 nan 0.000 0.433 244 E N -0.165 120.073 120.200 0.063 0.000 2.051 244 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 244 E C 2.365 179.025 176.600 0.099 0.000 0.991 244 E CA 1.783 58.221 56.400 0.064 0.000 0.799 244 E CB 0.010 29.730 29.700 0.034 0.000 0.748 244 E HN 0.523 nan 8.360 nan 0.000 0.449 245 C N 0.455 119.784 119.300 0.049 0.000 2.432 245 C HA -0.088 4.372 4.460 -0.000 0.000 0.277 245 C C 2.604 177.715 174.990 0.201 0.000 1.249 245 C CA 0.406 59.462 59.018 0.063 0.000 1.725 245 C CB -0.839 26.639 27.740 -0.437 0.000 2.028 245 C HN 0.499 nan 8.230 nan 0.000 0.477 246 I N 1.560 122.179 120.570 0.083 0.000 2.286 246 I HA -0.203 3.966 4.170 -0.000 0.000 0.248 246 I C 2.607 178.815 176.117 0.151 0.000 1.115 246 I CA 1.427 62.805 61.300 0.130 0.000 1.392 246 I CB -0.656 37.391 38.000 0.079 0.000 1.065 246 I HN 0.531 nan 8.210 nan 0.000 0.418 247 N N 0.670 119.450 118.700 0.134 0.000 2.188 247 N HA -0.266 4.474 4.740 -0.000 0.000 0.184 247 N C 2.091 177.682 175.510 0.134 0.000 1.018 247 N CA 1.415 54.525 53.050 0.101 0.000 0.858 247 N CB -0.104 38.431 38.487 0.080 0.000 0.989 247 N HN 0.339 nan 8.380 nan 0.000 0.426 248 Y N 1.423 121.774 120.300 0.085 0.000 2.200 248 Y HA 0.001 4.551 4.550 0.000 0.000 0.290 248 Y C 2.496 178.451 175.900 0.091 0.000 1.137 248 Y CA 1.627 59.779 58.100 0.088 0.000 1.163 248 Y CB -0.567 37.972 38.460 0.133 0.000 0.988 248 Y HN 0.168 nan 8.280 nan 0.000 0.518 249 A N -0.205 122.766 122.820 0.251 0.000 1.858 249 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 249 A C 2.295 179.892 177.584 0.021 0.000 1.190 249 A CA 2.668 54.795 52.037 0.150 0.000 0.617 249 A CB -1.612 17.572 19.000 0.306 0.000 0.827 249 A HN 0.518 nan 8.150 nan 0.000 0.443 250 V N -1.610 118.324 119.914 0.035 0.000 2.667 250 V HA -0.137 3.983 4.120 -0.000 0.000 0.252 250 V C 2.339 178.390 176.094 -0.072 0.000 1.065 250 V CA 2.447 64.741 62.300 -0.010 0.000 1.083 250 V CB -1.815 30.006 31.823 -0.004 0.000 0.692 250 V HN 0.682 nan 8.190 nan 0.000 0.468 251 T N -3.074 111.418 114.554 -0.103 0.000 2.894 251 T HA -0.094 4.256 4.350 -0.000 0.000 0.258 251 T C 1.982 176.568 174.700 -0.189 0.000 1.043 251 T CA 1.035 63.050 62.100 -0.142 0.000 1.141 251 T CB -0.370 68.419 68.868 -0.133 0.000 0.873 251 T HN 0.422 nan 8.240 nan 0.000 0.449 252 Q N 0.883 120.510 119.800 -0.288 0.000 2.230 252 Q HA 0.242 4.582 4.340 -0.000 0.000 0.202 252 Q C 2.021 177.907 176.000 -0.190 0.000 0.963 252 Q CA 0.747 56.357 55.803 -0.321 0.000 0.866 252 Q CB -0.219 28.181 28.738 -0.564 0.000 0.931 252 Q HN 0.552 nan 8.270 nan 0.000 0.452 253 L N 0.762 121.903 121.223 -0.137 0.000 2.653 253 L HA 0.138 4.478 4.340 -0.000 0.000 0.231 253 L C 0.573 177.412 176.870 -0.052 0.000 1.153 253 L CA -0.323 54.468 54.840 -0.081 0.000 0.933 253 L CB -0.076 41.953 42.059 -0.050 0.000 1.175 253 L HN -0.015 nan 8.230 nan 0.000 0.473 254 N N 1.888 120.547 118.700 -0.069 0.000 2.819 254 N HA 0.221 4.961 4.740 -0.000 0.000 0.284 254 N C -0.875 174.606 175.510 -0.049 0.000 1.196 254 N CA 0.279 53.296 53.050 -0.055 0.000 1.114 254 N CB -0.158 38.282 38.487 -0.080 0.000 1.437 254 N HN 0.208 nan 8.380 nan 0.000 0.518 255 L N 2.633 123.841 121.223 -0.025 0.000 2.333 255 L HA 0.537 4.877 4.340 -0.000 0.000 0.269 255 L C -1.058 175.812 176.870 0.000 0.000 1.010 255 L CA -2.081 52.746 54.840 -0.021 0.000 0.818 255 L CB 2.200 44.248 42.059 -0.017 0.000 1.306 255 L HN 0.205 nan 8.230 nan 0.000 0.430 256 P HA -0.166 nan 4.420 nan 0.000 0.221 256 P C 0.383 177.708 177.300 0.041 0.000 1.145 256 P CA 1.339 64.419 63.100 -0.034 0.000 0.795 256 P CB 0.006 31.673 31.700 -0.056 0.000 0.775 257 N N -0.552 118.193 118.700 0.075 0.000 2.280 257 N HA 0.041 4.781 4.740 -0.000 0.000 0.192 257 N C 0.029 175.627 175.510 0.147 0.000 1.109 257 N CA -0.026 53.096 53.050 0.121 0.000 0.855 257 N CB -0.085 38.442 38.487 0.067 0.000 0.974 257 N HN 0.009 nan 8.380 nan 0.000 0.482 258 V N 0.665 120.676 119.914 0.162 0.000 2.667 258 V HA 0.763 4.883 4.120 -0.000 0.000 0.308 258 V C -0.255 175.948 176.094 0.181 0.000 1.048 258 V CA -1.059 61.316 62.300 0.126 0.000 0.928 258 V CB 1.523 33.390 31.823 0.074 0.000 1.004 258 V HN 0.355 nan 8.190 nan 0.000 0.444 259 A N 5.454 128.309 122.820 0.059 0.000 2.375 259 A HA 0.829 5.149 4.320 -0.000 0.000 0.291 259 A C -0.740 176.855 177.584 0.018 0.000 1.160 259 A CA -0.505 51.533 52.037 0.003 0.000 0.747 259 A CB 0.936 19.821 19.000 -0.193 0.000 1.170 259 A HN 0.774 nan 8.150 nan 0.000 0.458 260 M N 1.937 121.502 119.600 -0.058 0.000 2.404 260 M HA 0.495 4.974 4.480 -0.000 0.000 0.338 260 M C -1.601 174.591 176.300 -0.180 0.000 1.150 260 M CA -0.262 55.039 55.300 0.002 0.000 1.016 260 M CB 1.626 34.251 32.600 0.041 0.000 1.672 260 M HN 0.671 nan 8.290 nan 0.000 0.448 261 Y N 2.496 122.851 120.300 0.091 0.000 2.326 261 Y HA 0.421 4.971 4.550 -0.000 0.000 0.329 261 Y C -0.605 175.299 175.900 0.007 0.000 0.973 261 Y CA -0.961 57.164 58.100 0.042 0.000 1.162 261 Y CB 1.289 39.757 38.460 0.013 0.000 1.147 261 Y HN 0.492 nan 8.280 nan 0.000 0.456 262 L N 3.720 125.011 121.223 0.114 0.000 2.367 262 L HA 0.243 4.583 4.340 -0.000 0.000 0.275 262 L C 0.105 176.942 176.870 -0.055 0.000 1.129 262 L CA -0.034 54.838 54.840 0.055 0.000 0.839 262 L CB 0.392 42.509 42.059 0.097 0.000 1.133 262 L HN 0.646 nan 8.230 nan 0.000 0.453 263 D N 3.752 124.136 120.400 -0.027 0.000 2.472 263 D HA 0.357 4.997 4.640 -0.000 0.000 0.237 263 D C -0.089 176.127 176.300 -0.141 0.000 1.141 263 D CA 0.972 54.943 54.000 -0.049 0.000 0.875 263 D CB 0.963 41.764 40.800 0.003 0.000 1.192 263 D HN 0.740 nan 8.370 nan 0.000 0.450 264 A N 3.265 126.015 122.820 -0.116 0.000 2.806 264 A HA 0.627 4.947 4.320 -0.000 0.000 0.266 264 A C 0.960 178.616 177.584 0.121 0.000 0.926 264 A CA 0.236 52.207 52.037 -0.110 0.000 1.068 264 A CB -0.280 18.505 19.000 -0.359 0.000 1.189 264 A HN 0.961 nan 8.150 nan 0.000 0.481 265 G N 0.831 109.620 108.800 -0.019 0.000 2.594 265 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.297 265 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.297 265 G C -0.013 174.992 174.900 0.176 0.000 1.273 265 G CA 1.286 46.343 45.100 -0.072 0.000 0.974 265 G HN 2.385 nan 8.290 nan 0.000 0.552 266 H N -4.100 114.996 119.070 0.042 0.000 2.948 266 H HA 0.782 5.338 4.556 -0.000 0.000 0.315 266 H C 1.164 176.191 175.328 -0.501 0.000 1.360 266 H CA 0.466 56.466 56.048 -0.081 0.000 1.125 266 H CB 0.785 30.616 29.762 0.116 0.000 1.844 266 H HN 1.358 nan 8.280 nan 0.000 0.529 267 A N 0.324 123.024 122.820 -0.200 0.000 1.958 267 A HA -0.097 4.223 4.320 -0.000 0.000 0.221 267 A C 2.164 179.554 177.584 -0.324 0.000 1.178 267 A CA 2.185 54.064 52.037 -0.263 0.000 0.642 267 A CB -1.602 17.494 19.000 0.161 0.000 0.816 267 A HN 0.967 nan 8.150 nan 0.000 0.453 268 G N -3.479 105.152 108.800 -0.283 0.000 2.920 268 G HA2 0.069 4.028 3.960 -0.000 0.000 0.208 268 G HA3 0.069 4.028 3.960 -0.000 0.000 0.208 268 G C 1.012 175.648 174.900 -0.439 0.000 1.159 268 G CA 0.705 45.036 45.100 -1.281 0.000 0.784 268 G HN 0.565 nan 8.290 nan 0.000 0.535 269 W N 0.105 121.010 121.300 -0.657 0.000 3.539 269 W HA 0.354 5.014 4.660 -0.000 0.000 0.233 269 W C 1.612 178.023 176.519 -0.180 0.000 0.900 269 W CA 0.431 57.501 57.345 -0.459 0.000 2.360 269 W CB -0.396 28.602 29.460 -0.769 0.000 1.171 269 W HN 0.020 nan 8.180 nan 0.000 0.627 270 L N 0.838 121.992 121.223 -0.116 0.000 2.585 270 L HA 0.263 4.603 4.340 -0.000 0.000 0.226 270 L C 2.228 179.072 176.870 -0.043 0.000 1.113 270 L CA 0.707 55.500 54.840 -0.078 0.000 0.876 270 L CB -0.893 41.115 42.059 -0.086 0.000 1.072 270 L HN 0.117 nan 8.230 nan 0.000 0.468 271 G N -0.185 108.419 108.800 -0.328 0.000 2.443 271 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 271 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 271 G C 0.154 175.068 174.900 0.024 0.000 1.131 271 G CA -0.360 44.615 45.100 -0.208 0.000 0.775 271 G HN 0.185 nan 8.290 nan 0.000 0.547 272 W N 0.820 122.117 121.300 -0.005 0.000 2.343 272 W HA 0.299 4.959 4.660 -0.000 0.000 0.337 272 W C -1.196 175.369 176.519 0.076 0.000 1.320 272 W CA -1.668 55.712 57.345 0.059 0.000 1.290 272 W CB 0.220 29.705 29.460 0.041 0.000 1.206 272 W HN 0.031 nan 8.180 nan 0.000 0.565 273 P HA -0.338 nan 4.420 nan 0.000 0.218 273 P C 1.450 178.863 177.300 0.188 0.000 1.154 273 P CA 3.161 66.384 63.100 0.205 0.000 0.872 273 P CB 0.013 31.820 31.700 0.180 0.000 0.790 274 A N -1.066 121.878 122.820 0.207 0.000 2.015 274 A HA -0.164 4.155 4.320 -0.000 0.000 0.219 274 A C 1.894 179.548 177.584 0.115 0.000 1.163 274 A CA 1.618 53.737 52.037 0.137 0.000 0.646 274 A CB -0.964 18.099 19.000 0.105 0.000 0.806 274 A HN 0.168 nan 8.150 nan 0.000 0.448 275 N N -0.693 118.099 118.700 0.154 0.000 2.325 275 N HA 0.018 4.758 4.740 -0.000 0.000 0.182 275 N C 1.583 177.158 175.510 0.108 0.000 1.088 275 N CA 0.416 53.531 53.050 0.109 0.000 0.879 275 N CB -0.136 38.426 38.487 0.125 0.000 0.983 275 N HN 0.623 nan 8.380 nan 0.000 0.471 276 Q N 0.753 120.644 119.800 0.152 0.000 2.002 276 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 276 Q C 1.241 177.318 176.000 0.127 0.000 0.988 276 Q CA 1.811 57.716 55.803 0.171 0.000 0.843 276 Q CB -0.130 28.712 28.738 0.174 0.000 0.908 276 Q HN 0.297 nan 8.270 nan 0.000 0.420 277 D N -0.154 120.312 120.400 0.109 0.000 2.084 277 D HA -0.123 4.517 4.640 -0.000 0.000 0.194 277 D C -0.884 175.419 176.300 0.005 0.000 0.990 277 D CA 1.388 55.455 54.000 0.110 0.000 0.826 277 D CB -0.602 40.272 40.800 0.124 0.000 0.971 277 D HN 0.132 nan 8.370 nan 0.000 0.453 278 P HA -0.155 nan 4.420 nan 0.000 0.218 278 P C 1.091 178.279 177.300 -0.187 0.000 1.148 278 P CA 1.834 64.874 63.100 -0.100 0.000 0.822 278 P CB -0.075 31.587 31.700 -0.065 0.000 0.784 279 A N 0.731 123.450 122.820 -0.169 0.000 1.873 279 A HA -0.001 4.319 4.320 -0.000 0.000 0.215 279 A C 2.556 179.899 177.584 -0.401 0.000 1.186 279 A CA 2.088 53.906 52.037 -0.366 0.000 0.616 279 A CB -1.559 17.371 19.000 -0.116 0.000 0.823 279 A HN 0.218 nan 8.150 nan 0.000 0.442 280 A N -0.583 122.216 122.820 -0.035 0.000 1.908 280 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 280 A C 2.134 179.718 177.584 0.000 0.000 1.181 280 A CA 1.751 53.871 52.037 0.139 0.000 0.627 280 A CB -0.622 18.528 19.000 0.251 0.000 0.818 280 A HN 0.669 nan 8.150 nan 0.000 0.445 281 Q N -1.191 118.436 119.800 -0.289 0.000 2.050 281 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 281 Q C 2.136 178.025 176.000 -0.185 0.000 0.980 281 Q CA 1.454 56.991 55.803 -0.444 0.000 0.840 281 Q CB -0.377 28.054 28.738 -0.511 0.000 0.898 281 Q HN 0.587 nan 8.270 nan 0.000 0.424 282 L N 0.178 121.254 121.223 -0.246 0.000 1.989 282 L HA -0.181 4.158 4.340 -0.000 0.000 0.211 282 L C 1.961 178.800 176.870 -0.051 0.000 1.071 282 L CA 1.804 56.513 54.840 -0.219 0.000 0.749 282 L CB -0.615 41.205 42.059 -0.398 0.000 0.890 282 L HN 0.074 nan 8.230 nan 0.000 0.431 283 F N 0.174 120.194 119.950 0.116 0.000 2.134 283 F HA -0.127 4.400 4.527 -0.000 0.000 0.299 283 F C 2.596 178.600 175.800 0.340 0.000 1.097 283 F CA 1.039 59.183 58.000 0.241 0.000 1.264 283 F CB -1.733 37.425 39.000 0.263 0.000 1.001 283 F HN 0.212 nan 8.300 nan 0.000 0.479 284 A N 0.222 123.334 122.820 0.486 0.000 1.933 284 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 284 A C 2.122 179.853 177.584 0.246 0.000 1.175 284 A CA 1.782 54.079 52.037 0.434 0.000 0.628 284 A CB -0.755 18.473 19.000 0.381 0.000 0.814 284 A HN 0.337 nan 8.150 nan 0.000 0.444 285 N N 0.038 118.827 118.700 0.148 0.000 2.309 285 N HA -0.082 4.658 4.740 -0.000 0.000 0.182 285 N C 1.631 177.178 175.510 0.062 0.000 1.018 285 N CA 1.367 54.463 53.050 0.077 0.000 0.876 285 N CB -0.324 38.181 38.487 0.029 0.000 0.972 285 N HN 0.290 nan 8.380 nan 0.000 0.434 286 V N 0.529 120.505 119.914 0.103 0.000 2.323 286 V HA -0.211 3.909 4.120 -0.000 0.000 0.244 286 V C 2.027 178.111 176.094 -0.017 0.000 1.041 286 V CA 1.214 63.558 62.300 0.073 0.000 1.025 286 V CB -0.688 31.228 31.823 0.156 0.000 0.656 286 V HN 0.224 nan 8.190 nan 0.000 0.451 287 Y N 1.484 121.645 120.300 -0.232 0.000 2.097 287 Y HA -0.260 4.290 4.550 -0.000 0.000 0.282 287 Y C 2.511 178.212 175.900 -0.332 0.000 1.152 287 Y CA 1.974 59.757 58.100 -0.528 0.000 1.136 287 Y CB -0.230 37.552 38.460 -1.130 0.000 0.975 287 Y HN 0.152 nan 8.280 nan 0.000 0.498 288 K N -0.366 119.931 120.400 -0.172 0.000 2.097 288 K HA -0.187 4.133 4.320 -0.000 0.000 0.205 288 K C 1.915 178.413 176.600 -0.170 0.000 1.050 288 K CA 1.373 57.550 56.287 -0.184 0.000 0.938 288 K CB -0.329 32.166 32.500 -0.008 0.000 0.718 288 K HN 0.255 nan 8.250 nan 0.000 0.442 289 N N 0.867 119.503 118.700 -0.107 0.000 2.381 289 N HA -0.100 4.639 4.740 -0.000 0.000 0.182 289 N C 1.050 176.495 175.510 -0.108 0.000 1.025 289 N CA 0.917 53.921 53.050 -0.077 0.000 0.888 289 N CB 0.087 38.555 38.487 -0.031 0.000 0.965 289 N HN 0.170 nan 8.380 nan 0.000 0.438 290 A N -1.109 121.606 122.820 -0.175 0.000 2.337 290 A HA 0.341 4.661 4.320 -0.000 0.000 0.227 290 A C 0.617 178.051 177.584 -0.251 0.000 1.259 290 A CA 0.221 52.147 52.037 -0.185 0.000 0.870 290 A CB -0.156 18.730 19.000 -0.190 0.000 0.927 290 A HN 0.096 nan 8.150 nan 0.000 0.497 291 S N -0.492 115.044 115.700 -0.273 0.000 3.748 291 S HA -0.161 4.309 4.470 -0.000 0.000 0.329 291 S C 0.436 174.789 174.600 -0.412 0.000 1.104 291 S CA 0.635 58.672 58.200 -0.272 0.000 0.954 291 S CB -2.392 60.701 63.200 -0.179 0.000 0.910 291 S HN 1.512 nan 8.310 nan 0.000 0.494 292 S N -0.833 114.406 115.700 -0.768 0.000 3.484 292 S HA -0.138 4.332 4.470 -0.000 0.000 0.384 292 S C -1.861 172.339 174.600 -0.666 0.000 0.932 292 S CA 0.538 57.974 58.200 -1.273 0.000 1.293 292 S CB -1.159 61.618 63.200 -0.705 0.000 0.919 292 S HN 0.579 nan 8.310 nan 0.000 0.540 293 P HA 0.042 nan 4.420 nan 0.000 0.261 293 P C 1.081 178.329 177.300 -0.087 0.000 1.183 293 P CA -0.238 62.726 63.100 -0.227 0.000 0.761 293 P CB 0.519 32.112 31.700 -0.178 0.000 0.785 294 R N 4.249 124.713 120.500 -0.059 0.000 2.120 294 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 294 R C 1.581 177.895 176.300 0.024 0.000 1.123 294 R CA 1.999 58.094 56.100 -0.009 0.000 0.975 294 R CB -0.886 29.383 30.300 -0.051 0.000 0.866 294 R HN 0.521 nan 8.270 nan 0.000 0.446 295 A N 0.629 123.457 122.820 0.013 0.000 2.119 295 A HA -0.036 4.283 4.320 -0.000 0.000 0.217 295 A C 1.047 178.663 177.584 0.054 0.000 1.153 295 A CA 0.053 52.124 52.037 0.057 0.000 0.692 295 A CB -0.174 18.848 19.000 0.037 0.000 0.799 295 A HN 0.225 nan 8.150 nan 0.000 0.458 296 L N 0.684 121.944 121.223 0.063 0.000 2.401 296 L HA 0.338 4.678 4.340 -0.000 0.000 0.283 296 L C 1.282 178.252 176.870 0.166 0.000 1.151 296 L CA -0.109 54.787 54.840 0.093 0.000 0.942 296 L CB 0.068 42.192 42.059 0.109 0.000 1.283 296 L HN 0.311 nan 8.230 nan 0.000 0.442 297 R N 2.867 123.336 120.500 -0.052 0.000 2.115 297 R HA 0.276 4.616 4.340 -0.000 0.000 0.226 297 R C 0.781 177.040 176.300 -0.068 0.000 1.100 297 R CA 1.156 57.198 56.100 -0.097 0.000 0.980 297 R CB 0.052 30.107 30.300 -0.408 0.000 0.875 297 R HN 0.759 nan 8.270 nan 0.000 0.445 298 G N -1.959 106.739 108.800 -0.172 0.000 2.498 298 G HA2 0.216 4.175 3.960 -0.000 0.000 0.181 298 G HA3 0.216 4.175 3.960 -0.000 0.000 0.181 298 G C -1.678 173.053 174.900 -0.281 0.000 1.169 298 G CA -0.523 44.376 45.100 -0.334 0.000 0.992 298 G HN 0.048 nan 8.290 nan 0.000 0.490 299 L N 0.381 121.315 121.223 -0.483 0.000 2.323 299 L HA 0.829 5.169 4.340 -0.000 0.000 0.265 299 L C 0.139 177.009 176.870 -0.000 0.000 1.012 299 L CA -1.101 53.559 54.840 -0.300 0.000 0.820 299 L CB 2.219 43.935 42.059 -0.572 0.000 1.334 299 L HN 0.864 nan 8.230 nan 0.000 0.427 300 A N 0.680 123.505 122.820 0.008 0.000 2.318 300 A HA 0.787 5.107 4.320 -0.000 0.000 0.324 300 A C -0.283 177.336 177.584 0.058 0.000 1.170 300 A CA -0.401 51.639 52.037 0.005 0.000 0.810 300 A CB 1.359 20.320 19.000 -0.065 0.000 1.198 300 A HN 0.710 nan 8.150 nan 0.000 0.484 301 T N -0.759 113.865 114.554 0.117 0.000 2.924 301 T HA 0.531 4.881 4.350 -0.000 0.000 0.291 301 T C 0.263 175.082 174.700 0.199 0.000 1.045 301 T CA -0.218 62.020 62.100 0.230 0.000 1.015 301 T CB 1.258 70.352 68.868 0.377 0.000 1.103 301 T HN 1.177 nan 8.240 nan 0.000 0.496 302 N N -0.274 118.588 118.700 0.269 0.000 2.741 302 N HA -0.153 4.586 4.740 -0.000 0.000 0.251 302 N C -0.314 175.250 175.510 0.090 0.000 1.112 302 N CA 0.827 53.994 53.050 0.195 0.000 0.750 302 N CB -1.663 36.932 38.487 0.180 0.000 1.119 302 N HN 0.692 nan 8.380 nan 0.000 0.561 303 V N 0.528 120.501 119.914 0.097 0.000 2.493 303 V HA 0.320 4.440 4.120 -0.000 0.000 0.292 303 V C 1.700 177.829 176.094 0.058 0.000 1.016 303 V CA 0.837 63.171 62.300 0.057 0.000 1.097 303 V CB 0.226 32.068 31.823 0.032 0.000 0.947 303 V HN 0.647 nan 8.190 nan 0.000 0.479 304 A N 3.244 126.068 122.820 0.006 0.000 2.979 304 A HA -0.257 4.063 4.320 -0.000 0.000 0.260 304 A C 0.550 177.943 177.584 -0.318 0.000 1.282 304 A CA 1.640 53.609 52.037 -0.113 0.000 0.971 304 A CB -2.173 16.794 19.000 -0.055 0.000 1.124 304 A HN 0.892 nan 8.150 nan 0.000 0.826 305 N N -2.771 115.732 118.700 -0.328 0.000 2.879 305 N HA 0.770 5.510 4.740 -0.000 0.000 0.329 305 N C 0.241 175.351 175.510 -0.668 0.000 1.337 305 N CA -0.102 52.627 53.050 -0.536 0.000 0.844 305 N CB 0.534 38.834 38.487 -0.311 0.000 1.236 305 N HN 0.221 nan 8.380 nan 0.000 0.601 306 Y N -1.713 118.580 120.300 -0.012 0.000 2.717 306 Y HA 0.451 5.001 4.550 -0.000 0.000 0.250 306 Y C -0.375 175.579 175.900 0.090 0.000 1.149 306 Y CA -0.801 57.319 58.100 0.033 0.000 1.211 306 Y CB -0.493 37.982 38.460 0.025 0.000 1.289 306 Y HN 0.202 nan 8.280 nan 0.000 0.552 307 N N 1.742 120.588 118.700 0.243 0.000 2.441 307 N HA 0.116 4.856 4.740 -0.000 0.000 0.251 307 N C 0.647 176.313 175.510 0.260 0.000 1.242 307 N CA 0.670 53.900 53.050 0.300 0.000 0.898 307 N CB 1.034 39.723 38.487 0.336 0.000 1.100 307 N HN 0.462 nan 8.380 nan 0.000 0.443 308 G N 0.317 109.263 108.800 0.243 0.000 2.503 308 G HA2 0.000 3.960 3.960 -0.000 0.000 0.257 308 G HA3 0.000 3.960 3.960 -0.000 0.000 0.257 308 G C 0.881 175.937 174.900 0.260 0.000 1.214 308 G CA -0.720 44.508 45.100 0.214 0.000 0.839 308 G HN 0.800 nan 8.290 nan 0.000 0.559 309 W N 2.433 123.793 121.300 0.099 0.000 2.407 309 W HA -0.072 4.588 4.660 -0.000 0.000 0.305 309 W C 0.569 177.147 176.519 0.097 0.000 1.196 309 W CA 1.211 58.630 57.345 0.124 0.000 1.311 309 W CB 0.278 29.828 29.460 0.150 0.000 1.135 309 W HN 0.624 nan 8.180 nan 0.000 0.514 310 N N 0.714 119.228 118.700 -0.309 0.000 2.466 310 N HA 0.075 4.815 4.740 -0.000 0.000 0.272 310 N C -0.084 175.325 175.510 -0.169 0.000 1.455 310 N CA -0.170 52.589 53.050 -0.484 0.000 0.875 310 N CB -1.453 36.662 38.487 -0.621 0.000 1.372 310 N HN 0.277 nan 8.380 nan 0.000 0.492 311 I N -1.210 119.337 120.570 -0.038 0.000 2.815 311 I HA 0.081 4.251 4.170 -0.000 0.000 0.291 311 I C 1.144 177.318 176.117 0.095 0.000 1.209 311 I CA 0.035 61.360 61.300 0.041 0.000 1.431 311 I CB 0.558 38.608 38.000 0.083 0.000 1.351 311 I HN 0.106 nan 8.210 nan 0.000 0.585 312 T N 0.694 115.286 114.554 0.064 0.000 3.067 312 T HA 0.130 4.480 4.350 -0.000 0.000 0.257 312 T C 0.728 175.481 174.700 0.088 0.000 1.105 312 T CA -0.008 62.139 62.100 0.079 0.000 1.104 312 T CB -0.119 68.757 68.868 0.013 0.000 0.925 312 T HN 0.603 nan 8.240 nan 0.000 0.498 313 S N 3.460 119.153 115.700 -0.012 0.000 2.519 313 S HA 0.521 4.991 4.470 -0.000 0.000 0.309 313 S C -2.822 171.498 174.600 -0.467 0.000 1.100 313 S CA -1.277 56.804 58.200 -0.198 0.000 1.059 313 S CB 1.774 64.879 63.200 -0.159 0.000 1.008 313 S HN 0.262 nan 8.310 nan 0.000 0.478 314 P HA 0.247 nan 4.420 nan 0.000 0.271 314 P C -2.721 174.149 177.300 -0.716 0.000 1.233 314 P CA -1.091 61.301 63.100 -1.181 0.000 0.764 314 P CB -0.480 30.486 31.700 -1.223 0.000 0.825 315 P HA -0.021 nan 4.420 nan 0.000 0.269 315 P C 1.444 178.228 177.300 -0.861 0.000 1.215 315 P CA 0.022 62.600 63.100 -0.868 0.000 0.780 315 P CB 0.307 31.171 31.700 -1.392 0.000 0.898 316 S N 1.680 117.003 115.700 -0.629 0.000 2.387 316 S HA -0.276 4.194 4.470 -0.000 0.000 0.230 316 S C 1.745 176.153 174.600 -0.319 0.000 1.035 316 S CA 1.674 59.652 58.200 -0.369 0.000 1.014 316 S CB -1.693 61.395 63.200 -0.187 0.000 0.836 316 S HN 0.590 nan 8.310 nan 0.000 0.466 317 Y N 2.547 122.725 120.300 -0.203 0.000 2.639 317 Y HA 0.199 4.749 4.550 -0.000 0.000 0.297 317 Y C 2.223 177.976 175.900 -0.246 0.000 1.151 317 Y CA 0.638 58.646 58.100 -0.154 0.000 1.335 317 Y CB -1.674 36.710 38.460 -0.127 0.000 0.994 317 Y HN 0.433 nan 8.280 nan 0.000 0.548 318 T N -3.120 111.067 114.554 -0.610 0.000 3.122 318 T HA 0.071 4.420 4.350 -0.000 0.000 0.250 318 T C 0.556 175.153 174.700 -0.171 0.000 1.067 318 T CA -0.325 61.335 62.100 -0.734 0.000 0.966 318 T CB -0.331 67.840 68.868 -1.162 0.000 1.002 318 T HN 0.266 nan 8.240 nan 0.000 0.542 319 Q N 1.373 121.131 119.800 -0.069 0.000 2.398 319 Q HA 0.336 4.676 4.340 -0.000 0.000 0.329 319 Q C 1.451 177.584 176.000 0.222 0.000 1.079 319 Q CA 1.716 57.538 55.803 0.032 0.000 1.041 319 Q CB -0.584 28.181 28.738 0.046 0.000 1.084 319 Q HN 0.638 nan 8.270 nan 0.000 0.386 320 G N 3.303 112.205 108.800 0.170 0.000 2.254 320 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.225 320 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.225 320 G C 0.031 175.089 174.900 0.263 0.000 1.003 320 G CA 0.018 45.304 45.100 0.310 0.000 0.622 320 G HN 0.738 nan 8.290 nan 0.000 0.507 321 N N 1.085 119.740 118.700 -0.076 0.000 2.437 321 N HA 0.677 5.417 4.740 -0.000 0.000 0.259 321 N C 1.221 176.683 175.510 -0.080 0.000 0.983 321 N CA 0.559 53.364 53.050 -0.408 0.000 0.937 321 N CB 1.292 39.086 38.487 -1.154 0.000 1.122 321 N HN 0.505 nan 8.380 nan 0.000 0.499 322 A N 3.169 125.987 122.820 -0.003 0.000 2.015 322 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 322 A C 0.680 178.288 177.584 0.040 0.000 1.163 322 A CA 0.745 52.824 52.037 0.070 0.000 0.646 322 A CB 0.020 19.050 19.000 0.050 0.000 0.806 322 A HN 0.437 nan 8.150 nan 0.000 0.448 323 V N 1.760 121.656 119.914 -0.030 0.000 2.267 323 V HA 0.102 4.222 4.120 -0.000 0.000 0.254 323 V C 0.390 176.507 176.094 0.038 0.000 1.144 323 V CA -0.057 62.207 62.300 -0.059 0.000 0.992 323 V CB -1.014 30.799 31.823 -0.016 0.000 1.199 323 V HN 0.672 nan 8.190 nan 0.000 0.493 324 Y N 2.409 122.717 120.300 0.013 0.000 2.467 324 Y HA 0.468 5.018 4.550 -0.000 0.000 0.250 324 Y C 0.436 176.388 175.900 0.086 0.000 1.155 324 Y CA -1.195 56.926 58.100 0.036 0.000 1.249 324 Y CB -0.174 38.178 38.460 -0.180 0.000 1.146 324 Y HN 0.643 nan 8.280 nan 0.000 0.524 325 N N -1.487 117.162 118.700 -0.085 0.000 2.647 325 N HA 0.177 4.917 4.740 -0.000 0.000 0.266 325 N C 0.165 175.706 175.510 0.052 0.000 1.373 325 N CA -0.730 52.321 53.050 0.003 0.000 0.807 325 N CB 0.770 39.157 38.487 -0.167 0.000 1.513 325 N HN -0.103 nan 8.380 nan 0.000 0.505 326 E N 0.124 120.419 120.200 0.158 0.000 2.204 326 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 326 E C 1.072 177.755 176.600 0.139 0.000 0.989 326 E CA 0.830 57.405 56.400 0.292 0.000 0.824 326 E CB -0.043 29.950 29.700 0.488 0.000 0.756 326 E HN 0.744 nan 8.360 nan 0.000 0.477 327 K N 1.020 121.249 120.400 -0.286 0.000 2.026 327 K HA -0.089 4.231 4.320 -0.000 0.000 0.208 327 K C 2.247 178.759 176.600 -0.147 0.000 1.048 327 K CA 0.793 56.764 56.287 -0.527 0.000 0.929 327 K CB -0.107 31.725 32.500 -1.113 0.000 0.713 327 K HN 0.058 nan 8.250 nan 0.000 0.439 328 L N 0.332 121.434 121.223 -0.202 0.000 2.083 328 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 328 L C 2.606 179.473 176.870 -0.005 0.000 1.083 328 L CA 1.144 55.904 54.840 -0.133 0.000 0.752 328 L CB -0.616 41.300 42.059 -0.240 0.000 0.899 328 L HN 0.292 nan 8.230 nan 0.000 0.433 329 Y N 1.565 121.801 120.300 -0.107 0.000 2.133 329 Y HA -0.247 4.303 4.550 -0.000 0.000 0.287 329 Y C 2.451 178.249 175.900 -0.171 0.000 1.134 329 Y CA 1.745 59.798 58.100 -0.078 0.000 1.133 329 Y CB -0.495 37.960 38.460 -0.008 0.000 0.987 329 Y HN 0.201 nan 8.280 nan 0.000 0.502 330 I N -2.298 117.927 120.570 -0.576 0.000 2.361 330 I HA -0.267 3.903 4.170 -0.000 0.000 0.251 330 I C 2.029 177.630 176.117 -0.860 0.000 1.133 330 I CA 1.874 62.473 61.300 -1.169 0.000 1.413 330 I CB -0.855 36.226 38.000 -1.531 0.000 1.073 330 I HN 0.172 nan 8.210 nan 0.000 0.424 331 H N 1.321 120.147 119.070 -0.408 0.000 2.495 331 H HA 0.151 4.707 4.556 -0.000 0.000 0.287 331 H C 2.380 177.600 175.328 -0.181 0.000 1.033 331 H CA 1.315 57.209 56.048 -0.257 0.000 1.307 331 H CB 0.337 29.986 29.762 -0.188 0.000 1.401 331 H HN 0.556 nan 8.280 nan 0.000 0.555 332 A N 0.671 123.446 122.820 -0.076 0.000 1.878 332 A HA -0.002 4.318 4.320 -0.000 0.000 0.213 332 A C 2.395 179.959 177.584 -0.034 0.000 1.192 332 A CA 0.451 52.477 52.037 -0.019 0.000 0.619 332 A CB -0.378 18.649 19.000 0.045 0.000 0.837 332 A HN 0.312 nan 8.150 nan 0.000 0.446 333 I N -0.550 119.952 120.570 -0.113 0.000 2.584 333 I HA -0.019 4.151 4.170 -0.000 0.000 0.255 333 I C 2.306 178.408 176.117 -0.025 0.000 1.145 333 I CA 0.933 62.206 61.300 -0.044 0.000 1.462 333 I CB -0.259 37.691 38.000 -0.082 0.000 1.102 333 I HN 0.348 nan 8.210 nan 0.000 0.433 334 G N 1.932 110.682 108.800 -0.084 0.000 2.553 334 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 334 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 334 G C -0.670 174.185 174.900 -0.074 0.000 1.195 334 G CA 1.025 46.108 45.100 -0.029 0.000 0.779 334 G HN 0.329 nan 8.290 nan 0.000 0.577 335 P HA 0.001 nan 4.420 nan 0.000 0.218 335 P C 1.988 179.268 177.300 -0.033 0.000 1.149 335 P CA 0.636 63.707 63.100 -0.048 0.000 0.817 335 P CB -0.095 31.586 31.700 -0.031 0.000 0.785 336 L N -1.750 119.476 121.223 0.004 0.000 2.141 336 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 336 L C 2.332 179.269 176.870 0.111 0.000 1.094 336 L CA 1.056 55.925 54.840 0.048 0.000 0.763 336 L CB -0.896 41.242 42.059 0.131 0.000 0.908 336 L HN -0.007 nan 8.230 nan 0.000 0.437 337 L N -0.090 121.183 121.223 0.084 0.000 2.046 337 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 337 L C 2.925 179.852 176.870 0.095 0.000 1.077 337 L CA 1.154 56.058 54.840 0.107 0.000 0.747 337 L CB -0.709 41.271 42.059 -0.133 0.000 0.896 337 L HN 0.236 nan 8.230 nan 0.000 0.432 338 A N 0.277 123.093 122.820 -0.005 0.000 1.933 338 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 338 A C 2.006 179.585 177.584 -0.008 0.000 1.175 338 A CA 1.783 53.819 52.037 -0.000 0.000 0.628 338 A CB -0.543 18.433 19.000 -0.039 0.000 0.814 338 A HN 0.443 nan 8.150 nan 0.000 0.444 339 N N -0.091 118.555 118.700 -0.090 0.000 2.289 339 N HA -0.112 4.628 4.740 -0.000 0.000 0.184 339 N C 0.826 176.181 175.510 -0.258 0.000 1.016 339 N CA 1.155 54.078 53.050 -0.211 0.000 0.872 339 N CB -0.434 37.837 38.487 -0.361 0.000 0.973 339 N HN 0.616 nan 8.380 nan 0.000 0.433 340 H N -1.065 118.055 119.070 0.084 0.000 2.519 340 H HA 0.304 4.860 4.556 -0.000 0.000 0.289 340 H C 1.167 176.575 175.328 0.134 0.000 1.040 340 H CA 0.594 56.703 56.048 0.101 0.000 1.165 340 H CB 0.296 30.123 29.762 0.110 0.000 1.462 340 H HN 0.312 nan 8.280 nan 0.000 0.555 341 G N 0.457 109.378 108.800 0.203 0.000 2.179 341 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 341 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 341 G C -0.282 174.788 174.900 0.285 0.000 0.990 341 G CA -0.146 45.081 45.100 0.212 0.000 0.646 341 G HN 0.340 nan 8.290 nan 0.000 0.517 342 W N 3.291 124.604 121.300 0.022 0.000 2.347 342 W HA 0.798 5.458 4.660 -0.000 0.000 0.321 342 W C -0.100 176.301 176.519 -0.196 0.000 0.971 342 W CA -1.178 56.050 57.345 -0.194 0.000 1.508 342 W CB 0.583 29.848 29.460 -0.325 0.000 1.299 342 W HN 0.056 nan 8.180 nan 0.000 0.399 343 S N 4.163 120.001 115.700 0.229 0.000 2.687 343 S HA 0.269 4.739 4.470 -0.000 0.000 0.283 343 S C 0.313 174.945 174.600 0.053 0.000 1.170 343 S CA -0.438 57.804 58.200 0.070 0.000 1.008 343 S CB 1.061 64.308 63.200 0.078 0.000 1.026 343 S HN 0.471 nan 8.310 nan 0.000 0.541 344 N N -0.099 118.564 118.700 -0.062 0.000 2.735 344 N HA -0.169 4.571 4.740 -0.000 0.000 0.248 344 N C -0.453 174.999 175.510 -0.096 0.000 1.083 344 N CA 0.842 53.877 53.050 -0.024 0.000 0.703 344 N CB -1.490 37.116 38.487 0.200 0.000 1.005 344 N HN 0.687 nan 8.380 nan 0.000 0.550 345 A N -0.089 122.431 122.820 -0.500 0.000 2.301 345 A HA 0.721 5.041 4.320 -0.000 0.000 0.298 345 A C 0.025 177.121 177.584 -0.814 0.000 1.185 345 A CA -0.193 51.391 52.037 -0.755 0.000 0.830 345 A CB 0.476 18.498 19.000 -1.630 0.000 1.112 345 A HN 0.162 nan 8.150 nan 0.000 0.508 346 F N 0.377 120.047 119.950 -0.466 0.000 2.631 346 F HA 0.838 5.365 4.527 -0.000 0.000 0.350 346 F C -0.303 175.248 175.800 -0.415 0.000 1.080 346 F CA -0.622 57.246 58.000 -0.220 0.000 1.026 346 F CB 1.530 40.541 39.000 0.019 0.000 1.347 346 F HN 0.485 nan 8.300 nan 0.000 0.501 347 F N 0.560 120.595 119.950 0.141 0.000 2.629 347 F HA 0.719 5.246 4.527 -0.000 0.000 0.316 347 F C -0.479 175.228 175.800 -0.155 0.000 1.081 347 F CA -1.460 56.548 58.000 0.013 0.000 0.954 347 F CB 1.751 40.676 39.000 -0.125 0.000 1.337 347 F HN 0.260 nan 8.300 nan 0.000 0.474 348 I N -1.276 119.236 120.570 -0.097 0.000 2.686 348 I HA 0.838 5.008 4.170 -0.000 0.000 0.295 348 I C -1.276 174.733 176.117 -0.180 0.000 1.114 348 I CA -0.579 60.498 61.300 -0.373 0.000 1.038 348 I CB 2.456 40.017 38.000 -0.732 0.000 1.238 348 I HN 0.442 nan 8.210 nan 0.000 0.420 349 T N 2.603 117.056 114.554 -0.168 0.000 2.881 349 T HA 0.248 4.598 4.350 -0.000 0.000 0.290 349 T C -0.905 173.818 174.700 0.038 0.000 1.000 349 T CA -0.276 61.822 62.100 -0.003 0.000 0.978 349 T CB 1.539 70.470 68.868 0.105 0.000 0.997 349 T HN 0.652 nan 8.240 nan 0.000 0.443 350 D N 2.169 122.600 120.400 0.052 0.000 2.383 350 D HA 0.121 4.761 4.640 -0.000 0.000 0.252 350 D C 0.322 176.683 176.300 0.102 0.000 1.166 350 D CA 0.138 54.180 54.000 0.069 0.000 0.879 350 D CB 0.865 41.678 40.800 0.021 0.000 1.164 350 D HN 0.317 nan 8.370 nan 0.000 0.462 351 Q N 2.297 122.173 119.800 0.126 0.000 2.093 351 Q HA 0.175 4.515 4.340 -0.000 0.000 0.217 351 Q C 1.529 177.460 176.000 -0.114 0.000 0.785 351 Q CA -0.119 55.739 55.803 0.092 0.000 1.038 351 Q CB 1.227 30.061 28.738 0.160 0.000 1.190 351 Q HN 0.665 nan 8.270 nan 0.000 0.468 352 G N 1.194 109.755 108.800 -0.398 0.000 2.479 352 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 352 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 352 G C 1.180 175.761 174.900 -0.531 0.000 1.115 352 G CA 0.431 44.905 45.100 -1.043 0.000 0.757 352 G HN 0.155 nan 8.290 nan 0.000 0.560 353 R N -0.380 119.980 120.500 -0.233 0.000 2.668 353 R HA 0.250 4.590 4.340 -0.000 0.000 0.435 353 R C 0.462 176.800 176.300 0.064 0.000 1.059 353 R CA -0.051 55.998 56.100 -0.084 0.000 1.073 353 R CB 0.838 31.149 30.300 0.019 0.000 1.401 353 R HN 0.147 nan 8.270 nan 0.000 0.590 354 S N -0.398 115.324 115.700 0.037 0.000 2.539 354 S HA 0.059 4.528 4.470 -0.000 0.000 0.221 354 S C 1.662 176.313 174.600 0.085 0.000 0.987 354 S CA 0.076 58.339 58.200 0.104 0.000 0.929 354 S CB 1.140 64.416 63.200 0.127 0.000 0.832 354 S HN 0.567 nan 8.310 nan 0.000 0.492 355 G N 1.940 110.776 108.800 0.061 0.000 2.479 355 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.220 355 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.220 355 G C 0.519 175.440 174.900 0.036 0.000 1.115 355 G CA 0.580 45.718 45.100 0.063 0.000 0.757 355 G HN 0.402 nan 8.290 nan 0.000 0.560 356 K N 0.561 120.971 120.400 0.017 0.000 2.339 356 K HA 0.367 4.687 4.320 -0.000 0.000 0.264 356 K C -0.979 175.632 176.600 0.019 0.000 0.986 356 K CA -0.560 55.727 56.287 -0.000 0.000 0.866 356 K CB 0.751 33.225 32.500 -0.042 0.000 1.103 356 K HN -0.058 nan 8.250 nan 0.000 0.441 357 Q N 4.010 123.822 119.800 0.021 0.000 2.323 357 Q HA 0.405 4.745 4.340 -0.000 0.000 0.271 357 Q C -2.228 173.770 176.000 -0.003 0.000 1.048 357 Q CA -1.806 54.016 55.803 0.032 0.000 0.792 357 Q CB 1.781 30.545 28.738 0.043 0.000 1.280 357 Q HN 0.709 nan 8.270 nan 0.000 0.441 358 P HA 0.172 nan 4.420 nan 0.000 0.274 358 P C -0.031 177.324 177.300 0.090 0.000 1.246 358 P CA -0.209 62.924 63.100 0.056 0.000 0.795 358 P CB 0.640 32.330 31.700 -0.017 0.000 1.006 359 T N -3.230 111.416 114.554 0.154 0.000 2.771 359 T HA 0.337 4.687 4.350 -0.000 0.000 0.290 359 T C 1.336 176.006 174.700 -0.050 0.000 1.005 359 T CA 0.020 62.106 62.100 -0.023 0.000 0.944 359 T CB -0.010 68.761 68.868 -0.161 0.000 1.147 359 T HN 0.455 nan 8.240 nan 0.000 0.534 360 G N -0.652 108.058 108.800 -0.150 0.000 3.088 360 G HA2 0.150 4.110 3.960 -0.000 0.000 0.212 360 G HA3 0.150 4.110 3.960 -0.000 0.000 0.212 360 G C 0.367 175.166 174.900 -0.169 0.000 1.173 360 G CA -0.399 44.624 45.100 -0.129 0.000 0.779 360 G HN 0.735 nan 8.290 nan 0.000 0.540 361 Q N 0.116 119.735 119.800 -0.302 0.000 2.274 361 Q HA 0.111 4.451 4.340 -0.000 0.000 0.280 361 Q C 0.992 176.864 176.000 -0.212 0.000 1.047 361 Q CA 0.260 55.843 55.803 -0.366 0.000 0.907 361 Q CB 0.795 29.124 28.738 -0.681 0.000 1.171 361 Q HN 0.417 nan 8.270 nan 0.000 0.381 362 Q N 1.020 120.755 119.800 -0.107 0.000 2.302 362 Q HA 0.005 4.345 4.340 -0.000 0.000 0.202 362 Q C -0.066 175.956 176.000 0.037 0.000 0.936 362 Q CA 0.686 56.479 55.803 -0.016 0.000 0.886 362 Q CB 0.696 29.420 28.738 -0.024 0.000 0.986 362 Q HN 0.474 nan 8.270 nan 0.000 0.487 363 Q N -1.365 118.447 119.800 0.020 0.000 2.331 363 Q HA 0.033 4.373 4.340 -0.000 0.000 0.272 363 Q C -0.518 175.579 176.000 0.162 0.000 1.062 363 Q CA -0.417 55.461 55.803 0.124 0.000 0.806 363 Q CB 1.240 30.042 28.738 0.107 0.000 1.312 363 Q HN 0.224 nan 8.270 nan 0.000 0.431 364 W N 3.207 124.562 121.300 0.092 0.000 2.350 364 W HA -0.052 4.608 4.660 0.000 0.000 0.289 364 W C 1.388 177.981 176.519 0.123 0.000 1.215 364 W CA 2.130 59.540 57.345 0.107 0.000 1.236 364 W CB -0.225 29.445 29.460 0.349 0.000 1.130 364 W HN 0.823 nan 8.180 nan 0.000 0.541 365 G N -0.344 108.648 108.800 0.320 0.000 2.848 365 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.208 365 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.208 365 G C -0.020 175.011 174.900 0.219 0.000 1.152 365 G CA -0.027 45.192 45.100 0.199 0.000 0.789 365 G HN -0.009 nan 8.290 nan 0.000 0.531 366 D N 0.972 121.471 120.400 0.164 0.000 2.344 366 D HA 0.087 4.727 4.640 -0.000 0.000 0.253 366 D C 1.182 177.497 176.300 0.025 0.000 1.255 366 D CA -0.514 53.517 54.000 0.051 0.000 0.894 366 D CB 0.243 41.025 40.800 -0.030 0.000 1.067 366 D HN 0.609 nan 8.370 nan 0.000 0.492 367 W N 1.032 122.346 121.300 0.025 0.000 3.013 367 W HA 0.172 4.832 4.660 -0.000 0.000 0.280 367 W C 0.050 176.657 176.519 0.146 0.000 1.249 367 W CA -0.563 56.843 57.345 0.102 0.000 1.577 367 W CB -0.488 28.950 29.460 -0.037 0.000 1.057 367 W HN 0.202 nan 8.180 nan 0.000 0.613 368 c N 5.373 123.649 118.600 -0.539 0.000 2.394 368 c HA 0.188 4.758 4.570 -0.000 0.000 0.362 368 c C 1.081 175.097 174.090 -0.124 0.000 1.268 368 c CA -0.333 55.757 56.329 -0.399 0.000 1.828 368 c CB -1.378 40.597 42.510 -0.892 0.000 2.442 368 c HN 0.349 nan 8.230 nan 0.000 0.549 369 N N 3.901 122.595 118.700 -0.012 0.000 2.698 369 N HA -0.159 4.581 4.740 -0.000 0.000 0.258 369 N C -0.087 175.498 175.510 0.125 0.000 0.978 369 N CA 0.606 53.621 53.050 -0.058 0.000 0.777 369 N CB -0.867 37.677 38.487 0.096 0.000 0.907 369 N HN 0.621 nan 8.380 nan 0.000 0.543 370 V N 1.477 121.385 119.914 -0.009 0.000 2.617 370 V HA -0.047 4.073 4.120 -0.000 0.000 0.304 370 V C 1.578 177.611 176.094 -0.101 0.000 1.040 370 V CA -0.070 62.091 62.300 -0.232 0.000 1.149 370 V CB 0.186 31.507 31.823 -0.837 0.000 0.914 370 V HN 0.314 nan 8.190 nan 0.000 0.487 371 I N 1.974 122.460 120.570 -0.141 0.000 2.764 371 I HA 0.721 4.891 4.170 -0.000 0.000 0.294 371 I C 1.053 177.039 176.117 -0.217 0.000 1.045 371 I CA 0.090 61.286 61.300 -0.173 0.000 1.340 371 I CB 0.668 38.592 38.000 -0.127 0.000 1.436 371 I HN 0.831 nan 8.210 nan 0.000 0.567 372 G N 2.749 111.409 108.800 -0.234 0.000 2.225 372 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.264 372 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.264 372 G C 0.038 174.821 174.900 -0.194 0.000 1.060 372 G CA 0.291 45.276 45.100 -0.193 0.000 0.833 372 G HN 1.315 nan 8.290 nan 0.000 0.498 373 T N -2.450 111.950 114.554 -0.256 0.000 2.942 373 T HA 0.937 5.286 4.350 -0.000 0.000 0.289 373 T C 0.278 174.828 174.700 -0.249 0.000 1.044 373 T CA 0.004 61.990 62.100 -0.189 0.000 1.023 373 T CB 2.942 71.751 68.868 -0.099 0.000 1.123 373 T HN 1.720 nan 8.240 nan 0.000 0.512 374 G N 0.109 108.802 108.800 -0.178 0.000 2.692 374 G HA2 0.571 4.531 3.960 -0.000 0.000 0.291 374 G HA3 0.571 4.531 3.960 -0.000 0.000 0.291 374 G C -1.315 173.489 174.900 -0.160 0.000 1.423 374 G CA -0.970 43.995 45.100 -0.224 0.000 0.843 374 G HN 0.576 nan 8.290 nan 0.000 0.486 375 F N 0.598 120.520 119.950 -0.046 0.000 2.602 375 F HA 0.436 4.963 4.527 -0.000 0.000 0.367 375 F C 1.377 177.206 175.800 0.049 0.000 1.126 375 F CA 1.354 59.312 58.000 -0.071 0.000 1.321 375 F CB 1.053 40.196 39.000 0.238 0.000 1.094 375 F HN 0.580 nan 8.300 nan 0.000 0.594 376 G N 2.168 111.107 108.800 0.232 0.000 3.122 376 G HA2 0.498 4.458 3.960 -0.000 0.000 0.180 376 G HA3 0.498 4.458 3.960 -0.000 0.000 0.180 376 G C -0.435 174.665 174.900 0.333 0.000 1.279 376 G CA -1.099 44.135 45.100 0.222 0.000 0.987 376 G HN 0.519 nan 8.290 nan 0.000 0.589 377 I N 1.857 122.518 120.570 0.151 0.000 2.906 377 I HA -0.045 4.125 4.170 -0.000 0.000 0.301 377 I C 0.602 176.833 176.117 0.190 0.000 1.221 377 I CA 0.008 61.303 61.300 -0.009 0.000 1.435 377 I CB 0.243 37.981 38.000 -0.436 0.000 1.345 377 I HN 0.159 nan 8.210 nan 0.000 0.558 378 R N 6.917 127.443 120.500 0.042 0.000 2.594 378 R HA 0.253 4.592 4.340 -0.000 0.000 0.272 378 R C -2.286 173.971 176.300 -0.073 0.000 1.074 378 R CA -2.104 53.938 56.100 -0.097 0.000 1.105 378 R CB -0.470 29.729 30.300 -0.169 0.000 1.008 378 R HN 0.268 nan 8.270 nan 0.000 0.472 379 P HA -0.007 nan 4.420 nan 0.000 0.262 379 P C -0.464 176.845 177.300 0.015 0.000 1.182 379 P CA 0.644 63.721 63.100 -0.039 0.000 0.761 379 P CB 0.700 32.331 31.700 -0.116 0.000 0.795 380 S N 1.934 117.672 115.700 0.063 0.000 2.580 380 S HA 0.538 5.008 4.470 -0.000 0.000 0.281 380 S C 0.234 174.764 174.600 -0.116 0.000 1.129 380 S CA -0.076 58.144 58.200 0.033 0.000 0.862 380 S CB 0.591 63.862 63.200 0.119 0.000 1.090 380 S HN 0.258 nan 8.310 nan 0.000 0.451 381 A N 2.768 125.527 122.820 -0.101 0.000 2.178 381 A HA 0.275 4.594 4.320 -0.000 0.000 0.211 381 A C 0.609 178.098 177.584 -0.159 0.000 1.157 381 A CA 0.175 52.110 52.037 -0.169 0.000 0.780 381 A CB -0.316 18.661 19.000 -0.037 0.000 0.828 381 A HN 0.709 nan 8.150 nan 0.000 0.476 382 N N 1.505 120.158 118.700 -0.078 0.000 2.895 382 N HA 0.047 4.787 4.740 -0.000 0.000 0.277 382 N C 0.983 176.477 175.510 -0.027 0.000 1.185 382 N CA 0.880 53.912 53.050 -0.029 0.000 1.106 382 N CB 0.688 39.191 38.487 0.027 0.000 1.422 382 N HN 0.554 nan 8.380 nan 0.000 0.521 383 T N -3.191 111.252 114.554 -0.185 0.000 3.057 383 T HA 0.104 4.454 4.350 -0.000 0.000 0.254 383 T C 1.381 176.117 174.700 0.060 0.000 1.094 383 T CA 0.503 62.434 62.100 -0.283 0.000 1.088 383 T CB 0.105 68.526 68.868 -0.745 0.000 0.934 383 T HN 0.397 nan 8.240 nan 0.000 0.497 384 G N 1.408 110.244 108.800 0.061 0.000 2.203 384 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.263 384 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.263 384 G C -0.317 174.678 174.900 0.157 0.000 1.012 384 G CA 0.386 45.556 45.100 0.116 0.000 0.749 384 G HN 0.774 nan 8.290 nan 0.000 0.512 385 D N -0.583 119.909 120.400 0.155 0.000 2.863 385 D HA 0.453 5.093 4.640 -0.000 0.000 0.245 385 D C 1.606 178.023 176.300 0.195 0.000 1.211 385 D CA 0.199 54.343 54.000 0.240 0.000 0.888 385 D CB 1.332 42.401 40.800 0.448 0.000 1.483 385 D HN 0.210 nan 8.370 nan 0.000 0.533 386 S N 3.068 118.898 115.700 0.216 0.000 2.419 386 S HA -0.147 4.323 4.470 -0.000 0.000 0.235 386 S C 1.754 176.481 174.600 0.211 0.000 1.019 386 S CA 0.769 59.091 58.200 0.202 0.000 0.982 386 S CB -0.100 63.206 63.200 0.176 0.000 0.789 386 S HN 0.627 nan 8.310 nan 0.000 0.490 387 L N -0.518 120.778 121.223 0.121 0.000 2.556 387 L HA 0.444 4.784 4.340 -0.000 0.000 0.226 387 L C 0.291 177.291 176.870 0.216 0.000 1.089 387 L CA -0.167 54.702 54.840 0.049 0.000 0.864 387 L CB 0.138 41.994 42.059 -0.338 0.000 1.067 387 L HN 0.261 nan 8.230 nan 0.000 0.477 388 L N 0.493 121.776 121.223 0.100 0.000 2.261 388 L HA 0.195 4.535 4.340 -0.000 0.000 0.289 388 L C 0.799 177.579 176.870 -0.150 0.000 1.059 388 L CA 0.304 55.094 54.840 -0.082 0.000 0.816 388 L CB 0.606 42.418 42.059 -0.411 0.000 1.191 388 L HN -0.065 nan 8.230 nan 0.000 0.431 389 D N 1.334 121.674 120.400 -0.099 0.000 2.178 389 D HA -0.016 4.624 4.640 -0.000 0.000 0.202 389 D C 0.330 176.348 176.300 -0.470 0.000 0.974 389 D CA 0.945 54.846 54.000 -0.165 0.000 0.841 389 D CB 0.451 41.254 40.800 0.005 0.000 0.953 389 D HN 0.460 nan 8.370 nan 0.000 0.478 390 S N -1.647 113.623 115.700 -0.715 0.000 2.586 390 S HA 0.335 4.804 4.470 -0.000 0.000 0.277 390 S C -1.782 172.340 174.600 -0.797 0.000 1.131 390 S CA -0.807 56.864 58.200 -0.882 0.000 0.848 390 S CB -0.023 62.397 63.200 -1.300 0.000 1.091 390 S HN -0.146 nan 8.310 nan 0.000 0.453 391 F N 2.563 122.254 119.950 -0.431 0.000 2.384 391 F HA 0.654 5.181 4.527 -0.000 0.000 0.338 391 F C 0.760 176.447 175.800 -0.188 0.000 1.103 391 F CA -0.283 57.529 58.000 -0.313 0.000 1.157 391 F CB 1.563 40.428 39.000 -0.226 0.000 1.167 391 F HN 0.508 nan 8.300 nan 0.000 0.529 392 V N -1.054 118.948 119.914 0.146 0.000 3.159 392 V HA 0.575 4.694 4.120 -0.000 0.000 0.308 392 V C -1.981 174.408 176.094 0.492 0.000 1.190 392 V CA -1.141 61.302 62.300 0.238 0.000 1.037 392 V CB 2.209 34.114 31.823 0.137 0.000 1.060 392 V HN 0.634 nan 8.190 nan 0.000 0.437 393 W N 1.785 123.196 121.300 0.185 0.000 2.394 393 W HA 0.757 5.417 4.660 -0.000 0.000 0.312 393 W C 0.459 177.125 176.519 0.244 0.000 0.981 393 W CA -1.082 56.369 57.345 0.175 0.000 1.519 393 W CB 1.080 30.632 29.460 0.155 0.000 1.304 393 W HN 0.499 nan 8.180 nan 0.000 0.412 394 V N 1.569 121.643 119.914 0.267 0.000 2.326 394 V HA -0.060 4.060 4.120 -0.000 0.000 0.238 394 V C 1.023 177.416 176.094 0.498 0.000 1.038 394 V CA 0.837 63.223 62.300 0.144 0.000 1.032 394 V CB -0.566 31.134 31.823 -0.204 0.000 0.675 394 V HN 0.087 nan 8.190 nan 0.000 0.467 395 K N 2.697 123.322 120.400 0.376 0.000 2.349 395 K HA 0.191 4.511 4.320 -0.000 0.000 0.288 395 K C -2.810 173.889 176.600 0.164 0.000 1.058 395 K CA -2.009 54.448 56.287 0.284 0.000 0.953 395 K CB 0.698 33.222 32.500 0.040 0.000 0.997 395 K HN 0.160 nan 8.250 nan 0.000 0.477 396 P HA 0.143 nan 4.420 nan 0.000 0.275 396 P C -0.458 176.955 177.300 0.188 0.000 1.276 396 P CA -0.339 62.810 63.100 0.082 0.000 0.782 396 P CB 1.186 32.946 31.700 0.100 0.000 0.851 397 G N 2.683 111.647 108.800 0.274 0.000 2.254 397 G HA2 0.324 4.284 3.960 -0.000 0.000 0.253 397 G HA3 0.324 4.284 3.960 -0.000 0.000 0.253 397 G C 1.037 176.224 174.900 0.479 0.000 1.246 397 G CA 0.469 45.768 45.100 0.332 0.000 0.946 397 G HN 0.778 nan 8.290 nan 0.000 0.474 398 G N 1.914 110.784 108.800 0.116 0.000 2.428 398 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.199 398 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.199 398 G C 0.224 174.793 174.900 -0.553 0.000 1.005 398 G CA -0.036 44.833 45.100 -0.385 0.000 0.671 398 G HN 0.713 nan 8.290 nan 0.000 0.485 399 E N 0.820 120.960 120.200 -0.101 0.000 2.194 399 E HA 0.444 4.794 4.350 -0.000 0.000 0.284 399 E C 0.409 176.966 176.600 -0.072 0.000 1.035 399 E CA -0.410 55.992 56.400 0.004 0.000 0.836 399 E CB 1.708 31.480 29.700 0.120 0.000 1.070 399 E HN 0.313 nan 8.360 nan 0.000 0.401 400 C N 3.154 122.443 119.300 -0.018 0.000 2.702 400 C HA -0.038 4.422 4.460 -0.000 0.000 0.411 400 C C 1.241 176.208 174.990 -0.038 0.000 1.286 400 C CA -0.113 58.903 59.018 -0.004 0.000 1.979 400 C CB -0.184 27.552 27.740 -0.006 0.000 2.728 400 C HN 0.761 nan 8.230 nan 0.000 0.652 401 D N 0.988 121.380 120.400 -0.012 0.000 2.346 401 D HA 0.261 4.901 4.640 -0.000 0.000 0.206 401 D C 0.646 177.050 176.300 0.174 0.000 1.001 401 D CA 1.197 55.247 54.000 0.084 0.000 0.871 401 D CB 0.418 41.326 40.800 0.180 0.000 0.943 401 D HN 0.906 nan 8.370 nan 0.000 0.518 402 G N -0.350 108.502 108.800 0.086 0.000 2.376 402 G HA2 0.148 4.108 3.960 -0.000 0.000 0.302 402 G HA3 0.148 4.108 3.960 -0.000 0.000 0.302 402 G C -0.931 173.982 174.900 0.021 0.000 1.586 402 G CA -0.760 44.394 45.100 0.089 0.000 0.907 402 G HN -0.111 nan 8.290 nan 0.000 0.655 403 T N -0.671 113.912 114.554 0.049 0.000 2.919 403 T HA 0.447 4.796 4.350 -0.000 0.000 0.302 403 T C 1.691 176.481 174.700 0.150 0.000 1.031 403 T CA 0.813 62.945 62.100 0.053 0.000 1.127 403 T CB 0.640 69.562 68.868 0.090 0.000 0.952 403 T HN 1.605 nan 8.240 nan 0.000 0.540 404 S N 2.462 118.224 115.700 0.103 0.000 2.556 404 S HA 0.132 4.601 4.470 -0.000 0.000 0.216 404 S C 0.398 175.106 174.600 0.180 0.000 0.970 404 S CA -0.486 57.834 58.200 0.201 0.000 0.912 404 S CB 0.125 63.366 63.200 0.067 0.000 0.790 404 S HN 0.760 nan 8.310 nan 0.000 0.504 405 D N 3.014 123.462 120.400 0.080 0.000 2.352 405 D HA 0.172 4.812 4.640 -0.000 0.000 0.245 405 D C 1.260 177.283 176.300 -0.461 0.000 1.224 405 D CA 0.206 54.131 54.000 -0.125 0.000 0.879 405 D CB 1.458 42.214 40.800 -0.072 0.000 1.057 405 D HN 0.350 nan 8.370 nan 0.000 0.491 406 S N 1.924 117.059 115.700 -0.941 0.000 2.440 406 S HA -0.221 4.249 4.470 -0.000 0.000 0.240 406 S C 1.687 175.864 174.600 -0.705 0.000 1.014 406 S CA 1.325 58.569 58.200 -1.593 0.000 0.980 406 S CB -0.197 62.432 63.200 -0.950 0.000 0.775 406 S HN 0.426 nan 8.310 nan 0.000 0.499 407 S N 0.796 116.280 115.700 -0.360 0.000 2.535 407 S HA 0.612 5.082 4.470 -0.000 0.000 0.214 407 S C 0.689 175.242 174.600 -0.079 0.000 0.980 407 S CA -0.102 57.997 58.200 -0.168 0.000 0.907 407 S CB -0.240 62.888 63.200 -0.121 0.000 0.790 407 S HN 0.743 nan 8.310 nan 0.000 0.510 408 A N 3.370 126.154 122.820 -0.060 0.000 2.322 408 A HA 0.646 4.966 4.320 -0.000 0.000 0.269 408 A C -2.228 175.404 177.584 0.080 0.000 1.094 408 A CA -1.730 50.318 52.037 0.018 0.000 0.807 408 A CB -0.161 18.860 19.000 0.034 0.000 1.047 408 A HN 0.401 nan 8.150 nan 0.000 0.487 409 P HA 0.240 nan 4.420 nan 0.000 0.272 409 P C -0.484 176.885 177.300 0.114 0.000 1.223 409 P CA -0.059 63.091 63.100 0.083 0.000 0.784 409 P CB 0.528 32.261 31.700 0.055 0.000 0.923 410 R N -1.905 118.667 120.500 0.119 0.000 3.878 410 R HA -0.208 4.132 4.340 -0.000 0.000 0.330 410 R C 0.069 176.461 176.300 0.154 0.000 1.186 410 R CA 0.156 56.326 56.100 0.117 0.000 0.885 410 R CB -2.809 27.547 30.300 0.094 0.000 1.377 410 R HN 0.422 nan 8.270 nan 0.000 0.523 411 F N 2.454 122.433 119.950 0.049 0.000 2.543 411 F HA 0.187 4.714 4.527 -0.000 0.000 0.375 411 F C 0.433 176.277 175.800 0.072 0.000 1.075 411 F CA -0.412 57.615 58.000 0.046 0.000 1.225 411 F CB 0.576 39.589 39.000 0.022 0.000 1.099 411 F HN -0.012 nan 8.300 nan 0.000 0.561 412 D N 3.983 123.950 120.400 -0.721 0.000 2.408 412 D HA 0.108 4.748 4.640 -0.000 0.000 0.243 412 D C 0.841 176.579 176.300 -0.937 0.000 1.075 412 D CA 0.053 53.733 54.000 -0.533 0.000 0.832 412 D CB 2.033 42.819 40.800 -0.022 0.000 1.162 412 D HN 0.665 nan 8.370 nan 0.000 0.515 413 S N 3.089 118.356 115.700 -0.722 0.000 2.420 413 S HA -0.269 4.200 4.470 -0.000 0.000 0.237 413 S C 1.503 175.881 174.600 -0.370 0.000 1.023 413 S CA 1.189 59.094 58.200 -0.492 0.000 0.991 413 S CB -0.510 62.572 63.200 -0.196 0.000 0.792 413 S HN 0.638 nan 8.310 nan 0.000 0.488 414 H N 0.131 118.971 119.070 -0.383 0.000 2.456 414 H HA 0.055 4.611 4.556 -0.000 0.000 0.296 414 H C 1.800 176.813 175.328 -0.526 0.000 1.079 414 H CA 1.578 57.334 56.048 -0.488 0.000 1.322 414 H CB -0.379 28.895 29.762 -0.812 0.000 1.388 414 H HN 0.512 nan 8.280 nan 0.000 0.538 415 c N -0.286 118.091 118.600 -0.372 0.000 2.576 415 c HA 0.317 4.887 4.570 -0.000 0.000 0.267 415 c C 2.255 176.294 174.090 -0.085 0.000 1.364 415 c CA 0.601 56.779 56.329 -0.251 0.000 1.723 415 c CB -0.953 41.440 42.510 -0.195 0.000 1.778 415 c HN 0.609 nan 8.230 nan 0.000 0.572 416 A N -0.479 122.302 122.820 -0.064 0.000 2.431 416 A HA 0.426 4.746 4.320 -0.000 0.000 0.239 416 A C 0.596 178.168 177.584 -0.020 0.000 1.230 416 A CA -0.093 51.974 52.037 0.050 0.000 0.928 416 A CB -0.029 19.106 19.000 0.224 0.000 1.006 416 A HN 0.509 nan 8.150 nan 0.000 0.520 417 L N 0.648 121.816 121.223 -0.093 0.000 2.473 417 L HA 0.130 4.470 4.340 -0.000 0.000 0.268 417 L C -0.905 175.926 176.870 -0.066 0.000 1.215 417 L CA -1.342 53.437 54.840 -0.101 0.000 0.823 417 L CB 0.578 42.543 42.059 -0.156 0.000 1.099 417 L HN 0.132 nan 8.230 nan 0.000 0.483 418 P HA -0.132 nan 4.420 nan 0.000 0.228 418 P C 0.152 177.421 177.300 -0.051 0.000 1.151 418 P CA 0.921 63.995 63.100 -0.043 0.000 0.770 418 P CB 0.020 31.698 31.700 -0.038 0.000 0.786 419 D N -1.001 119.356 120.400 -0.072 0.000 2.402 419 D HA 0.258 4.898 4.640 -0.000 0.000 0.216 419 D C 0.218 176.463 176.300 -0.091 0.000 1.128 419 D CA -0.653 53.295 54.000 -0.088 0.000 0.833 419 D CB -0.156 40.578 40.800 -0.111 0.000 0.971 419 D HN 0.003 nan 8.370 nan 0.000 0.503 420 A N 0.638 123.420 122.820 -0.063 0.000 2.318 420 A HA 0.552 4.872 4.320 -0.000 0.000 0.324 420 A C -0.645 176.967 177.584 0.047 0.000 1.170 420 A CA -0.835 51.184 52.037 -0.030 0.000 0.810 420 A CB 0.919 19.875 19.000 -0.074 0.000 1.198 420 A HN 0.236 nan 8.150 nan 0.000 0.484 421 L N 2.168 123.472 121.223 0.136 0.000 2.410 421 L HA 0.344 4.684 4.340 -0.000 0.000 0.273 421 L C 0.125 177.198 176.870 0.338 0.000 1.144 421 L CA 1.227 56.191 54.840 0.207 0.000 0.863 421 L CB 0.267 42.446 42.059 0.200 0.000 1.140 421 L HN 0.802 nan 8.230 nan 0.000 0.463 422 Q N 5.210 125.151 119.800 0.235 0.000 2.456 422 Q HA 0.594 4.934 4.340 -0.000 0.000 0.283 422 Q C -2.313 173.775 176.000 0.145 0.000 1.084 422 Q CA -1.778 54.123 55.803 0.162 0.000 0.801 422 Q CB 1.386 30.168 28.738 0.075 0.000 1.434 422 Q HN 0.566 nan 8.270 nan 0.000 0.419 423 P HA 0.400 nan 4.420 nan 0.000 0.275 423 P C -1.558 175.602 177.300 -0.233 0.000 1.228 423 P CA -0.282 62.800 63.100 -0.031 0.000 0.786 423 P CB 0.995 32.675 31.700 -0.034 0.000 0.927 424 A N 3.679 126.291 122.820 -0.346 0.000 2.386 424 A HA 0.746 5.066 4.320 -0.000 0.000 0.311 424 A C -2.544 174.771 177.584 -0.448 0.000 1.068 424 A CA -1.616 49.953 52.037 -0.780 0.000 0.743 424 A CB 1.516 20.182 19.000 -0.558 0.000 1.258 424 A HN 0.433 nan 8.150 nan 0.000 0.429 425 P HA 0.197 nan 4.420 nan 0.000 0.302 425 P C -0.681 176.554 177.300 -0.109 0.000 1.307 425 P CA -0.328 62.649 63.100 -0.204 0.000 0.754 425 P CB 0.472 32.080 31.700 -0.154 0.000 1.298 426 Q N -0.896 118.886 119.800 -0.031 0.000 2.474 426 Q HA 0.254 4.594 4.340 -0.000 0.000 0.256 426 Q C 0.224 176.235 176.000 0.020 0.000 1.048 426 Q CA 0.132 55.944 55.803 0.014 0.000 0.922 426 Q CB 0.053 28.813 28.738 0.036 0.000 1.288 426 Q HN 0.515 nan 8.270 nan 0.000 0.484 427 A N 0.516 123.362 122.820 0.044 0.000 2.540 427 A HA 0.368 4.687 4.320 -0.000 0.000 0.239 427 A C 1.248 178.856 177.584 0.040 0.000 1.061 427 A CA 0.905 52.968 52.037 0.044 0.000 0.758 427 A CB -0.465 18.578 19.000 0.073 0.000 0.991 427 A HN 0.951 nan 8.150 nan 0.000 0.502 428 G N 1.003 109.810 108.800 0.012 0.000 2.320 428 G HA2 0.092 4.052 3.960 -0.000 0.000 0.242 428 G HA3 0.092 4.052 3.960 -0.000 0.000 0.242 428 G C 0.782 175.757 174.900 0.125 0.000 1.033 428 G CA 0.604 45.728 45.100 0.041 0.000 0.620 428 G HN 2.281 nan 8.290 nan 0.000 0.517 429 A N 0.721 123.607 122.820 0.111 0.000 2.425 429 A HA 0.445 4.765 4.320 -0.000 0.000 0.242 429 A C 0.505 178.209 177.584 0.200 0.000 1.077 429 A CA 0.283 52.413 52.037 0.154 0.000 0.781 429 A CB 0.141 19.198 19.000 0.095 0.000 1.020 429 A HN 0.944 nan 8.150 nan 0.000 0.494 430 W N 2.491 123.834 121.300 0.072 0.000 2.264 430 W HA 0.268 4.928 4.660 -0.000 0.000 0.331 430 W C -1.341 175.292 176.519 0.191 0.000 1.364 430 W CA 0.276 57.684 57.345 0.106 0.000 1.253 430 W CB 0.574 30.049 29.460 0.026 0.000 1.215 430 W HN 0.471 nan 8.180 nan 0.000 0.561 431 F N 6.796 126.374 119.950 -0.620 0.000 2.564 431 F HA 0.107 4.634 4.527 -0.000 0.000 0.368 431 F C 1.043 176.607 175.800 -0.393 0.000 1.127 431 F CA -1.281 56.522 58.000 -0.328 0.000 1.170 431 F CB 0.367 39.236 39.000 -0.219 0.000 1.397 431 F HN 0.459 nan 8.300 nan 0.000 0.493 432 Q N 4.276 124.159 119.800 0.138 0.000 2.045 432 Q HA -0.175 4.165 4.340 -0.000 0.000 0.206 432 Q C 2.002 178.092 176.000 0.149 0.000 0.991 432 Q CA 2.758 58.699 55.803 0.229 0.000 0.851 432 Q CB -0.166 28.783 28.738 0.352 0.000 0.911 432 Q HN 0.683 nan 8.270 nan 0.000 0.418 433 A N -0.957 121.940 122.820 0.129 0.000 1.940 433 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 433 A C 2.055 179.438 177.584 -0.336 0.000 1.176 433 A CA 1.640 53.650 52.037 -0.046 0.000 0.631 433 A CB -1.078 17.959 19.000 0.061 0.000 0.814 433 A HN 0.632 nan 8.150 nan 0.000 0.446 434 Y N -1.471 118.317 120.300 -0.853 0.000 2.263 434 Y HA -0.120 4.430 4.550 -0.000 0.000 0.292 434 Y C 1.982 177.606 175.900 -0.461 0.000 1.130 434 Y CA 1.716 59.308 58.100 -0.847 0.000 1.179 434 Y CB -0.353 37.350 38.460 -1.262 0.000 0.998 434 Y HN 0.383 nan 8.280 nan 0.000 0.532 435 F N -0.497 119.262 119.950 -0.318 0.000 2.134 435 F HA -0.215 4.311 4.527 -0.000 0.000 0.299 435 F C 2.065 177.790 175.800 -0.125 0.000 1.097 435 F CA 1.704 59.605 58.000 -0.166 0.000 1.264 435 F CB -0.745 38.258 39.000 0.006 0.000 1.001 435 F HN -0.158 nan 8.300 nan 0.000 0.479 436 V N 0.765 120.648 119.914 -0.051 0.000 2.407 436 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 436 V C 2.434 178.365 176.094 -0.270 0.000 1.055 436 V CA 2.212 64.445 62.300 -0.112 0.000 1.049 436 V CB -0.937 30.894 31.823 0.014 0.000 0.662 436 V HN 0.516 nan 8.190 nan 0.000 0.455 437 Q N -0.149 119.419 119.800 -0.386 0.000 2.050 437 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 437 Q C 2.285 177.977 176.000 -0.513 0.000 0.980 437 Q CA 1.863 57.392 55.803 -0.456 0.000 0.840 437 Q CB -0.171 28.176 28.738 -0.651 0.000 0.898 437 Q HN 0.604 nan 8.270 nan 0.000 0.424 438 L N 0.421 121.210 121.223 -0.723 0.000 2.083 438 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 438 L C 2.529 179.010 176.870 -0.649 0.000 1.083 438 L CA 0.598 54.883 54.840 -0.925 0.000 0.752 438 L CB -0.439 40.660 42.059 -1.599 0.000 0.899 438 L HN 0.340 nan 8.230 nan 0.000 0.433 439 L N -0.705 120.245 121.223 -0.455 0.000 2.056 439 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 439 L C 2.420 179.302 176.870 0.021 0.000 1.078 439 L CA 1.989 56.804 54.840 -0.042 0.000 0.749 439 L CB -0.712 41.215 42.059 -0.221 0.000 0.901 439 L HN 0.107 nan 8.230 nan 0.000 0.433 440 T N 0.244 114.744 114.554 -0.090 0.000 2.746 440 T HA -0.086 4.263 4.350 -0.000 0.000 0.267 440 T C 1.320 175.999 174.700 -0.035 0.000 1.039 440 T CA 1.550 63.620 62.100 -0.050 0.000 1.142 440 T CB -0.270 68.543 68.868 -0.090 0.000 0.866 440 T HN 0.343 nan 8.240 nan 0.000 0.444 441 N N 1.270 119.920 118.700 -0.084 0.000 2.276 441 N HA 0.332 5.072 4.740 -0.000 0.000 0.212 441 N C 0.151 175.662 175.510 0.001 0.000 1.127 441 N CA -0.125 52.886 53.050 -0.064 0.000 0.834 441 N CB 0.106 38.515 38.487 -0.129 0.000 1.014 441 N HN 0.360 nan 8.380 nan 0.000 0.491 442 A N 1.269 124.151 122.820 0.103 0.000 2.498 442 A HA 0.259 4.578 4.320 -0.000 0.000 0.239 442 A C 0.380 178.040 177.584 0.128 0.000 1.068 442 A CA 0.146 52.326 52.037 0.238 0.000 0.766 442 A CB 0.114 19.458 19.000 0.573 0.000 1.003 442 A HN 0.249 nan 8.150 nan 0.000 0.497 443 N N 1.835 120.602 118.700 0.112 0.000 2.616 443 N HA 0.377 5.116 4.740 -0.000 0.000 0.281 443 N C -3.328 172.204 175.510 0.036 0.000 1.145 443 N CA -1.384 51.690 53.050 0.038 0.000 0.919 443 N CB 1.628 40.132 38.487 0.028 0.000 1.509 443 N HN 0.203 nan 8.380 nan 0.000 0.537 444 P HA 0.009 nan 4.420 nan 0.000 0.266 444 P C -0.305 176.888 177.300 -0.179 0.000 1.193 444 P CA 0.113 63.147 63.100 -0.110 0.000 0.770 444 P CB 0.591 32.192 31.700 -0.165 0.000 0.836 445 S N 1.170 116.787 115.700 -0.138 0.000 2.592 445 S HA 0.264 4.734 4.470 -0.000 0.000 0.271 445 S C 0.423 174.894 174.600 -0.215 0.000 1.326 445 S CA -0.247 57.901 58.200 -0.086 0.000 1.024 445 S CB -0.218 62.977 63.200 -0.008 0.000 0.921 445 S HN 0.244 nan 8.310 nan 0.000 0.527 446 F N 1.942 121.934 119.950 0.069 0.000 2.678 446 F HA 0.392 4.919 4.527 -0.000 0.000 0.291 446 F C 0.826 176.652 175.800 0.043 0.000 1.123 446 F CA -0.091 57.941 58.000 0.055 0.000 1.395 446 F CB 0.053 39.095 39.000 0.069 0.000 1.121 446 F HN 0.324 nan 8.300 nan 0.000 0.592 447 L N 0.000 121.340 121.223 0.195 0.000 2.949 447 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 447 L CA 0.000 54.913 54.840 0.121 0.000 0.813 447 L CB 0.000 42.118 42.059 0.099 0.000 0.961 447 L HN 0.000 nan 8.230 nan 0.000 0.502