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 1okx_1_B DATA FIRST_RESID 16 DATA SEQUENCE VVGGTEAQRN SWPSQISLQY RSGSSWAHTc GGTLIRQNWV MTAAHcVDRE DATA SEQUENCE LTFRVVVGEH NLNQNNGTEQ YVGVQKIVVH PYWNTDDVAA GYDIALLRLA DATA SEQUENCE QSVTLNSYVQ LGVLPRAGTI LANNSPcYIT GWGLTRTNGQ LAQTLQQAYL DATA SEQUENCE PTVDYAIcSS SSYWGSTVKN SMVcAGGDGV RSGcQGDSGG PLHcLVNGQY DATA SEQUENCE AVHGVTSFVS RLGcNVTRKP TVFTRVSAYI SWINNVIASN 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 16 V HA 0.000 nan 4.120 nan 0.000 0.244 16 V C 0.000 176.107 176.094 0.021 0.000 1.182 16 V CA 0.000 62.306 62.300 0.009 0.000 1.235 16 V CB 0.000 31.810 31.823 -0.021 0.000 1.184 17 V N 3.203 123.135 119.914 0.029 0.000 2.509 17 V HA 0.752 4.872 4.120 0.000 0.000 0.284 17 V C 1.316 177.432 176.094 0.037 0.000 1.047 17 V CA 0.861 63.181 62.300 0.033 0.000 0.952 17 V CB 1.302 33.145 31.823 0.034 0.000 0.988 17 V HN 1.604 nan 8.190 nan 0.000 0.469 18 G N 3.287 112.111 108.800 0.039 0.000 2.176 18 G HA2 -0.134 3.827 3.960 0.000 0.000 0.252 18 G HA3 -0.134 3.827 3.960 0.000 0.000 0.252 18 G C 0.425 175.359 174.900 0.057 0.000 1.024 18 G CA 0.276 45.403 45.100 0.045 0.000 0.755 18 G HN 1.319 nan 8.290 nan 0.000 0.507 19 G N -1.345 107.487 108.800 0.053 0.000 2.857 19 G HA2 0.980 4.940 3.960 0.000 0.000 0.217 19 G HA3 0.980 4.940 3.960 0.000 0.000 0.217 19 G C 0.061 175.003 174.900 0.070 0.000 1.357 19 G CA 0.685 45.827 45.100 0.069 0.000 1.033 19 G HN 1.556 nan 8.290 nan 0.000 0.571 20 T N -2.821 111.781 114.554 0.079 0.000 2.868 20 T HA 0.500 4.850 4.350 0.000 0.000 0.306 20 T C -0.800 173.944 174.700 0.074 0.000 1.224 20 T CA -0.660 61.486 62.100 0.077 0.000 1.012 20 T CB 2.126 71.051 68.868 0.095 0.000 1.221 20 T HN 0.630 nan 8.240 nan 0.000 0.499 21 E N 1.243 121.486 120.200 0.072 0.000 2.415 21 E HA 0.432 4.782 4.350 0.000 0.000 0.260 21 E C 0.540 177.222 176.600 0.137 0.000 1.016 21 E CA -0.598 55.853 56.400 0.086 0.000 0.924 21 E CB 0.302 30.068 29.700 0.110 0.000 0.961 21 E HN 0.879 nan 8.360 nan 0.000 0.459 22 A N 4.549 127.469 122.820 0.167 0.000 2.466 22 A HA -0.030 4.290 4.320 0.000 0.000 0.238 22 A C 0.228 177.924 177.584 0.186 0.000 1.074 22 A CA -0.183 51.987 52.037 0.221 0.000 0.774 22 A CB 0.387 19.586 19.000 0.331 0.000 1.015 22 A HN 0.842 nan 8.150 nan 0.000 0.498 23 Q N 1.329 121.157 119.800 0.047 0.000 2.271 23 Q HA 0.115 4.455 4.340 0.000 0.000 0.273 23 Q C -0.239 175.696 176.000 -0.107 0.000 1.051 23 Q CA -0.087 55.685 55.803 -0.053 0.000 0.901 23 Q CB 0.187 28.856 28.738 -0.115 0.000 1.174 23 Q HN 0.613 nan 8.270 nan 0.000 0.385 24 R N 4.141 124.477 120.500 -0.273 0.000 2.695 24 R HA -0.240 4.100 4.340 0.000 0.000 0.304 24 R C -0.049 176.177 176.300 -0.123 0.000 0.836 24 R CA 1.360 57.191 56.100 -0.449 0.000 1.135 24 R CB -0.459 29.553 30.300 -0.480 0.000 0.882 24 R HN 0.931 nan 8.270 nan 0.000 0.413 25 N N -0.268 118.446 118.700 0.023 0.000 2.753 25 N HA -0.243 4.497 4.740 0.000 0.000 0.251 25 N C 0.466 175.953 175.510 -0.038 0.000 1.097 25 N CA 1.113 54.221 53.050 0.097 0.000 0.786 25 N CB -0.902 37.723 38.487 0.231 0.000 1.137 25 N HN 0.726 nan 8.380 nan 0.000 0.566 26 S N -2.086 113.500 115.700 -0.190 0.000 2.607 26 S HA -0.007 4.463 4.470 0.000 0.000 0.224 26 S C 0.154 174.268 174.600 -0.810 0.000 0.969 26 S CA 0.176 58.064 58.200 -0.520 0.000 0.927 26 S CB -0.276 62.513 63.200 -0.684 0.000 0.772 26 S HN 0.505 nan 8.310 nan 0.000 0.533 27 W N 1.932 123.148 121.300 -0.141 0.000 1.683 27 W HA 0.410 5.070 4.660 0.000 0.000 0.295 27 W C -2.161 174.329 176.519 -0.049 0.000 0.865 27 W CA -1.986 55.237 57.345 -0.204 0.000 2.079 27 W CB 0.873 30.166 29.460 -0.278 0.000 2.263 27 W HN 0.044 nan 8.180 nan 0.000 0.427 28 P HA -0.214 nan 4.420 nan 0.000 0.224 28 P C 1.307 178.694 177.300 0.144 0.000 1.142 28 P CA 1.778 64.949 63.100 0.119 0.000 0.778 28 P CB 0.227 31.955 31.700 0.047 0.000 0.764 29 S N -2.416 113.391 115.700 0.177 0.000 2.535 29 S HA 0.049 4.519 4.470 0.000 0.000 0.214 29 S C 1.015 175.736 174.600 0.202 0.000 0.980 29 S CA -0.409 57.895 58.200 0.174 0.000 0.907 29 S CB -0.574 62.733 63.200 0.177 0.000 0.790 29 S HN 0.046 nan 8.310 nan 0.000 0.510 30 Q N 2.034 121.983 119.800 0.249 0.000 2.313 30 Q HA 0.525 4.865 4.340 0.000 0.000 0.266 30 Q C -0.464 175.706 176.000 0.284 0.000 0.989 30 Q CA -0.260 55.696 55.803 0.255 0.000 0.890 30 Q CB 0.421 29.298 28.738 0.231 0.000 1.200 30 Q HN 0.623 nan 8.270 nan 0.000 0.396 31 I N -0.313 120.426 120.570 0.281 0.000 2.934 31 I HA 0.656 4.826 4.170 0.000 0.000 0.306 31 I C -0.842 175.456 176.117 0.302 0.000 1.110 31 I CA -0.832 60.611 61.300 0.239 0.000 1.019 31 I CB 2.445 40.512 38.000 0.112 0.000 1.227 31 I HN 0.447 nan 8.210 nan 0.000 0.434 32 S N 3.730 119.497 115.700 0.112 0.000 2.448 32 S HA 0.598 5.069 4.470 0.000 0.000 0.320 32 S C -0.772 173.847 174.600 0.032 0.000 1.071 32 S CA -0.548 57.691 58.200 0.065 0.000 1.113 32 S CB 0.339 63.326 63.200 -0.355 0.000 0.972 32 S HN 0.703 nan 8.310 nan 0.000 0.465 33 L N 6.097 127.339 121.223 0.031 0.000 2.315 33 L HA 0.471 4.811 4.340 0.000 0.000 0.283 33 L C -0.373 176.517 176.870 0.035 0.000 1.089 33 L CA 0.759 55.595 54.840 -0.006 0.000 0.833 33 L CB 0.517 42.530 42.059 -0.077 0.000 1.170 33 L HN 0.733 nan 8.230 nan 0.000 0.442 34 Q N 4.655 124.545 119.800 0.149 0.000 2.375 34 Q HA 0.468 4.808 4.340 0.000 0.000 0.271 34 Q C -1.567 174.738 176.000 0.508 0.000 1.074 34 Q CA -0.708 55.233 55.803 0.230 0.000 0.808 34 Q CB 2.411 31.229 28.738 0.132 0.000 1.327 34 Q HN 0.634 nan 8.270 nan 0.000 0.441 35 Y N -1.576 118.966 120.300 0.403 0.000 2.487 35 Y HA 0.607 5.157 4.550 0.000 0.000 0.337 35 Y C -0.490 175.517 175.900 0.177 0.000 1.076 35 Y CA -1.462 56.787 58.100 0.248 0.000 1.115 35 Y CB 0.978 39.385 38.460 -0.089 0.000 1.235 35 Y HN 0.491 nan 8.280 nan 0.000 0.468 36 R N 2.125 122.556 120.500 -0.115 0.000 2.316 36 R HA 0.370 4.710 4.340 0.000 0.000 0.314 36 R C -0.824 175.258 176.300 -0.363 0.000 1.069 36 R CA 0.058 55.685 56.100 -0.789 0.000 0.959 36 R CB 0.379 30.001 30.300 -1.129 0.000 0.987 36 R HN 0.819 nan 8.270 nan 0.000 0.446 37 S N 3.314 118.765 115.700 -0.415 0.000 2.659 37 S HA 0.554 5.024 4.470 0.000 0.000 0.312 37 S C 0.268 174.734 174.600 -0.223 0.000 1.114 37 S CA 0.342 58.422 58.200 -0.200 0.000 1.063 37 S CB 1.133 64.226 63.200 -0.177 0.000 0.996 37 S HN 1.043 nan 8.310 nan 0.000 0.478 38 G N 4.236 112.937 108.800 -0.164 0.000 2.574 38 G HA2 -0.345 3.615 3.960 0.000 0.000 0.286 38 G HA3 -0.345 3.615 3.960 0.000 0.000 0.286 38 G C 1.167 175.941 174.900 -0.209 0.000 1.212 38 G CA 0.891 45.902 45.100 -0.148 0.000 0.979 38 G HN 1.738 nan 8.290 nan 0.000 0.557 39 S N -0.320 115.275 115.700 -0.174 0.000 2.446 39 S HA 0.342 4.813 4.470 0.000 0.000 0.225 39 S C 1.504 175.956 174.600 -0.246 0.000 1.016 39 S CA 1.609 59.701 58.200 -0.180 0.000 0.943 39 S CB -0.331 62.803 63.200 -0.109 0.000 0.786 39 S HN 2.142 nan 8.310 nan 0.000 0.508 40 S N -0.686 114.863 115.700 -0.253 0.000 2.753 40 S HA 0.741 5.211 4.470 0.000 0.000 0.302 40 S C -1.080 173.252 174.600 -0.447 0.000 1.104 40 S CA -1.125 56.926 58.200 -0.248 0.000 0.968 40 S CB -0.020 63.135 63.200 -0.074 0.000 1.278 40 S HN 0.511 nan 8.310 nan 0.000 0.549 41 W N -0.312 120.915 121.300 -0.123 0.000 2.639 41 W HA 0.766 5.426 4.660 0.000 0.000 0.347 41 W C -0.125 176.261 176.519 -0.222 0.000 1.067 41 W CA -0.591 56.652 57.345 -0.171 0.000 1.218 41 W CB 1.740 31.140 29.460 -0.101 0.000 1.393 41 W HN 0.938 nan 8.180 nan 0.000 0.557 42 A N 1.165 123.898 122.820 -0.145 0.000 2.393 42 A HA 0.492 4.812 4.320 0.000 0.000 0.306 42 A C -1.622 175.882 177.584 -0.134 0.000 1.050 42 A CA -0.800 51.100 52.037 -0.228 0.000 0.724 42 A CB 0.719 19.433 19.000 -0.476 0.000 1.248 42 A HN 0.752 nan 8.150 nan 0.000 0.424 43 H N 0.792 119.825 119.070 -0.061 0.000 2.764 43 H HA 0.473 5.029 4.556 0.000 0.000 0.341 43 H C 0.868 176.282 175.328 0.142 0.000 1.072 43 H CA 1.656 57.709 56.048 0.010 0.000 1.444 43 H CB 1.318 31.046 29.762 -0.056 0.000 1.458 43 H HN 0.597 nan 8.280 nan 0.000 0.572 44 T N 2.511 116.834 114.554 -0.385 0.000 3.051 44 T HA 0.256 4.606 4.350 0.000 0.000 0.254 44 T C -0.475 174.076 174.700 -0.248 0.000 0.916 44 T CA 0.504 62.564 62.100 -0.066 0.000 0.894 44 T CB 0.073 69.140 68.868 0.331 0.000 1.251 44 T HN 0.607 nan 8.240 nan 0.000 0.517 45 c N -0.067 118.241 118.600 -0.486 0.000 3.320 45 c HA 0.827 5.397 4.570 0.000 0.000 0.335 45 c C 0.610 174.673 174.090 -0.045 0.000 1.430 45 c CA -0.857 55.349 56.329 -0.206 0.000 1.271 45 c CB 1.238 43.660 42.510 -0.146 0.000 1.609 45 c HN 0.572 nan 8.230 nan 0.000 0.457 46 G N -0.527 108.351 108.800 0.131 0.000 2.601 46 G HA2 0.843 4.804 3.960 0.000 0.000 0.317 46 G HA3 0.843 4.804 3.960 0.000 0.000 0.317 46 G C -0.501 174.464 174.900 0.109 0.000 1.246 46 G CA 0.072 45.326 45.100 0.256 0.000 1.012 46 G HN 1.439 nan 8.290 nan 0.000 0.494 47 G N -2.024 106.854 108.800 0.130 0.000 2.523 47 G HA2 0.520 4.481 3.960 0.000 0.000 0.291 47 G HA3 0.520 4.481 3.960 0.000 0.000 0.291 47 G C -1.400 173.555 174.900 0.091 0.000 1.450 47 G CA -0.397 44.744 45.100 0.068 0.000 0.790 47 G HN 0.657 nan 8.290 nan 0.000 0.496 48 T N 1.050 115.646 114.554 0.069 0.000 2.815 48 T HA 0.433 4.783 4.350 0.000 0.000 0.289 48 T C -0.274 174.480 174.700 0.091 0.000 1.000 48 T CA -0.318 61.835 62.100 0.087 0.000 0.958 48 T CB 1.380 70.285 68.868 0.061 0.000 0.944 48 T HN 0.571 nan 8.240 nan 0.000 0.442 49 L N 5.788 127.073 121.223 0.103 0.000 2.462 49 L HA 0.374 4.715 4.340 0.000 0.000 0.272 49 L C 0.822 177.751 176.870 0.098 0.000 1.166 49 L CA 0.461 55.360 54.840 0.098 0.000 0.880 49 L CB -0.004 42.109 42.059 0.089 0.000 1.142 49 L HN 0.784 nan 8.230 nan 0.000 0.473 50 I N 0.530 121.165 120.570 0.109 0.000 4.240 50 I HA 0.472 4.643 4.170 0.000 0.000 0.331 50 I C -0.007 176.167 176.117 0.096 0.000 1.381 50 I CA -0.316 61.035 61.300 0.085 0.000 1.136 50 I CB 0.094 38.125 38.000 0.053 0.000 1.137 50 I HN 0.420 nan 8.210 nan 0.000 0.411 51 R N 1.197 121.785 120.500 0.146 0.000 2.663 51 R HA 0.308 4.648 4.340 0.000 0.000 0.267 51 R C -0.029 176.350 176.300 0.131 0.000 1.038 51 R CA -0.541 55.656 56.100 0.162 0.000 0.886 51 R CB 1.208 31.687 30.300 0.298 0.000 1.249 51 R HN 0.077 nan 8.270 nan 0.000 0.463 52 Q N 0.840 120.694 119.800 0.090 0.000 2.308 52 Q HA -0.187 4.153 4.340 0.000 0.000 0.209 52 Q C 0.817 176.827 176.000 0.017 0.000 0.985 52 Q CA 1.938 57.770 55.803 0.048 0.000 0.881 52 Q CB 0.091 28.850 28.738 0.034 0.000 0.917 52 Q HN 0.464 nan 8.270 nan 0.000 0.443 53 N N -2.067 116.644 118.700 0.018 0.000 2.194 53 N HA 0.016 4.756 4.740 0.000 0.000 0.231 53 N C -1.252 174.094 175.510 -0.272 0.000 1.247 53 N CA -0.153 52.816 53.050 -0.135 0.000 0.884 53 N CB 0.122 38.483 38.487 -0.211 0.000 1.146 53 N HN 0.073 nan 8.380 nan 0.000 0.516 54 W N 0.582 121.870 121.300 -0.019 0.000 2.839 54 W HA 0.633 5.293 4.660 0.000 0.000 0.334 54 W C -0.862 175.645 176.519 -0.020 0.000 1.064 54 W CA -0.749 56.580 57.345 -0.027 0.000 1.236 54 W CB 2.088 31.523 29.460 -0.042 0.000 1.405 54 W HN -0.328 nan 8.180 nan 0.000 0.478 55 V N 4.762 124.830 119.914 0.257 0.000 2.604 55 V HA 0.442 4.562 4.120 0.000 0.000 0.305 55 V C -0.193 175.985 176.094 0.140 0.000 1.043 55 V CA -1.140 61.248 62.300 0.146 0.000 0.888 55 V CB 1.780 33.642 31.823 0.065 0.000 0.995 55 V HN 0.609 nan 8.190 nan 0.000 0.429 56 M N 4.084 123.740 119.600 0.093 0.000 2.238 56 M HA 0.669 5.149 4.480 0.000 0.000 0.350 56 M C -0.398 175.913 176.300 0.019 0.000 1.138 56 M CA 0.444 55.783 55.300 0.065 0.000 1.040 56 M CB 1.554 34.187 32.600 0.055 0.000 1.639 56 M HN 0.845 nan 8.290 nan 0.000 0.451 57 T N 2.551 117.093 114.554 -0.021 0.000 2.645 57 T HA 0.766 5.116 4.350 0.000 0.000 0.300 57 T C -1.614 172.985 174.700 -0.168 0.000 1.210 57 T CA -0.376 61.669 62.100 -0.093 0.000 1.034 57 T CB 1.324 70.113 68.868 -0.132 0.000 1.537 57 T HN 0.837 nan 8.240 nan 0.000 0.492 58 A N 0.558 123.213 122.820 -0.274 0.000 2.316 58 A HA 0.736 5.056 4.320 0.000 0.000 0.284 58 A C 1.511 178.771 177.584 -0.541 0.000 1.115 58 A CA 0.318 52.107 52.037 -0.414 0.000 0.812 58 A CB 0.249 18.933 19.000 -0.525 0.000 1.064 58 A HN 1.197 nan 8.150 nan 0.000 0.489 59 A N 1.374 123.779 122.820 -0.692 0.000 1.865 59 A HA -0.182 4.138 4.320 0.000 0.000 0.217 59 A C 1.815 179.008 177.584 -0.653 0.000 1.191 59 A CA 1.862 53.398 52.037 -0.835 0.000 0.623 59 A CB -1.198 16.816 19.000 -1.644 0.000 0.826 59 A HN 1.136 nan 8.150 nan 0.000 0.444 60 H N -1.421 117.261 119.070 -0.646 0.000 2.557 60 H HA -0.090 4.466 4.556 0.000 0.000 0.287 60 H C 1.769 177.061 175.328 -0.061 0.000 1.043 60 H CA 1.340 57.330 56.048 -0.098 0.000 1.226 60 H CB -0.925 28.908 29.762 0.118 0.000 1.361 60 H HN 0.427 nan 8.280 nan 0.000 0.592 61 c N 1.150 119.441 118.600 -0.514 0.000 2.468 61 c HA 0.038 4.608 4.570 0.000 0.000 0.277 61 c C 2.426 176.366 174.090 -0.250 0.000 1.400 61 c CA 0.675 56.792 56.329 -0.353 0.000 1.770 61 c CB -0.413 41.842 42.510 -0.426 0.000 1.905 61 c HN 0.689 nan 8.230 nan 0.000 0.519 62 V N -3.426 116.339 119.914 -0.248 0.000 3.253 62 V HA 0.245 4.366 4.120 0.000 0.000 0.320 62 V C 1.024 177.162 176.094 0.074 0.000 1.442 62 V CA 0.298 62.489 62.300 -0.182 0.000 1.097 62 V CB -0.526 31.071 31.823 -0.377 0.000 1.008 62 V HN 0.204 nan 8.190 nan 0.000 0.463 63 D N 2.099 122.569 120.400 0.117 0.000 2.087 63 D HA -0.138 4.502 4.640 0.000 0.000 0.192 63 D C 1.102 177.512 176.300 0.183 0.000 0.993 63 D CA 1.229 55.344 54.000 0.191 0.000 0.828 63 D CB -0.148 40.806 40.800 0.255 0.000 0.968 63 D HN 0.524 nan 8.370 nan 0.000 0.448 64 R N 1.363 121.970 120.500 0.179 0.000 2.598 64 R HA -0.049 4.291 4.340 0.000 0.000 0.266 64 R C 0.367 176.755 176.300 0.147 0.000 0.977 64 R CA 0.544 56.726 56.100 0.136 0.000 1.097 64 R CB 0.044 30.404 30.300 0.101 0.000 0.911 64 R HN 0.224 nan 8.270 nan 0.000 0.419 65 E N 2.811 123.044 120.200 0.054 0.000 1.964 65 E HA 0.110 4.460 4.350 0.000 0.000 0.264 65 E C -0.472 176.079 176.600 -0.081 0.000 1.120 65 E CA -0.046 56.369 56.400 0.025 0.000 1.061 65 E CB 0.214 29.923 29.700 0.015 0.000 1.190 65 E HN 0.248 nan 8.360 nan 0.000 0.459 66 L N 0.420 121.514 121.223 -0.214 0.000 2.301 66 L HA 0.428 4.768 4.340 0.000 0.000 0.264 66 L C 0.314 176.851 176.870 -0.554 0.000 1.016 66 L CA -0.971 53.575 54.840 -0.490 0.000 0.821 66 L CB 2.110 43.651 42.059 -0.863 0.000 1.346 66 L HN 0.066 nan 8.230 nan 0.000 0.429 67 T N 1.476 115.805 114.554 -0.374 0.000 2.739 67 T HA 0.429 4.779 4.350 0.000 0.000 0.298 67 T C -0.582 174.095 174.700 -0.038 0.000 0.929 67 T CA -0.051 61.972 62.100 -0.129 0.000 1.014 67 T CB -0.384 68.458 68.868 -0.042 0.000 0.914 67 T HN 0.062 nan 8.240 nan 0.000 0.509 68 F N 2.879 122.993 119.950 0.273 0.000 2.399 68 F HA 0.593 5.120 4.527 0.000 0.000 0.334 68 F C 0.835 176.736 175.800 0.169 0.000 1.097 68 F CA -1.054 57.105 58.000 0.265 0.000 1.076 68 F CB 1.001 40.086 39.000 0.140 0.000 1.162 68 F HN 0.204 nan 8.300 nan 0.000 0.495 69 R N 1.946 122.601 120.500 0.258 0.000 2.750 69 R HA 0.781 5.121 4.340 0.000 0.000 0.281 69 R C -2.140 174.102 176.300 -0.096 0.000 0.972 69 R CA -0.599 55.391 56.100 -0.184 0.000 0.912 69 R CB 2.186 31.848 30.300 -1.063 0.000 1.187 69 R HN 0.563 nan 8.270 nan 0.000 0.464 70 V N 3.486 123.322 119.914 -0.131 0.000 2.604 70 V HA 0.450 4.570 4.120 0.000 0.000 0.305 70 V C -0.664 175.334 176.094 -0.161 0.000 1.043 70 V CA -0.713 61.528 62.300 -0.099 0.000 0.888 70 V CB 2.288 34.074 31.823 -0.060 0.000 0.995 70 V HN 0.516 nan 8.190 nan 0.000 0.429 71 V N 5.944 125.751 119.914 -0.177 0.000 2.350 71 V HA 0.474 4.595 4.120 0.000 0.000 0.285 71 V C -0.085 175.887 176.094 -0.203 0.000 1.014 71 V CA -0.627 61.489 62.300 -0.307 0.000 0.831 71 V CB 1.685 33.264 31.823 -0.407 0.000 1.000 71 V HN 0.716 nan 8.190 nan 0.000 0.433 72 V N 1.875 121.672 119.914 -0.194 0.000 2.837 72 V HA 0.964 5.084 4.120 0.000 0.000 0.310 72 V C 1.098 177.147 176.094 -0.076 0.000 1.059 72 V CA 0.207 62.465 62.300 -0.068 0.000 1.004 72 V CB 1.034 32.840 31.823 -0.029 0.000 1.045 72 V HN 1.463 nan 8.190 nan 0.000 0.465 73 G N 1.275 110.099 108.800 0.040 0.000 2.179 73 G HA2 -0.262 3.698 3.960 0.000 0.000 0.257 73 G HA3 -0.262 3.698 3.960 0.000 0.000 0.257 73 G C 0.030 174.950 174.900 0.034 0.000 1.010 73 G CA 0.705 45.843 45.100 0.065 0.000 0.736 73 G HN 1.358 nan 8.290 nan 0.000 0.513 74 E N -1.161 119.085 120.200 0.077 0.000 2.314 74 E HA 0.678 5.028 4.350 0.000 0.000 0.262 74 E C 0.837 177.671 176.600 0.391 0.000 1.093 74 E CA -0.251 56.210 56.400 0.102 0.000 0.908 74 E CB 0.784 30.431 29.700 -0.089 0.000 1.091 74 E HN 0.444 nan 8.360 nan 0.000 0.425 75 H N 1.076 120.307 119.070 0.268 0.000 1.764 75 H HA 0.273 4.829 4.556 0.000 0.000 0.140 75 H C -0.732 174.834 175.328 0.396 0.000 1.105 75 H CA -0.075 56.195 56.048 0.369 0.000 1.101 75 H CB 0.162 30.029 29.762 0.176 0.000 0.739 75 H HN 0.390 nan 8.280 nan 0.000 0.284 76 N N 1.766 120.585 118.700 0.198 0.000 2.437 76 N HA 0.120 4.860 4.740 0.000 0.000 0.259 76 N C 0.487 176.003 175.510 0.010 0.000 0.983 76 N CA -0.060 53.048 53.050 0.097 0.000 0.937 76 N CB 1.151 39.719 38.487 0.136 0.000 1.122 76 N HN 0.480 nan 8.380 nan 0.000 0.499 77 L N 2.841 124.010 121.223 -0.089 0.000 2.465 77 L HA -0.003 4.337 4.340 0.000 0.000 0.224 77 L C 0.386 177.218 176.870 -0.063 0.000 1.145 77 L CA 0.706 55.434 54.840 -0.187 0.000 0.834 77 L CB -0.089 41.765 42.059 -0.342 0.000 0.944 77 L HN 0.458 nan 8.230 nan 0.000 0.451 78 N N -0.613 118.079 118.700 -0.014 0.000 2.234 78 N HA 0.092 4.833 4.740 0.000 0.000 0.227 78 N C -0.334 175.189 175.510 0.022 0.000 1.151 78 N CA -0.025 53.029 53.050 0.007 0.000 0.865 78 N CB 0.662 39.156 38.487 0.012 0.000 1.066 78 N HN 0.210 nan 8.380 nan 0.000 0.515 79 Q N 0.413 120.233 119.800 0.033 0.000 2.327 79 Q HA 0.231 4.571 4.340 0.000 0.000 0.265 79 Q C -1.864 174.169 176.000 0.055 0.000 0.993 79 Q CA -0.676 55.151 55.803 0.040 0.000 0.885 79 Q CB 1.055 29.819 28.738 0.043 0.000 1.379 79 Q HN 0.068 nan 8.270 nan 0.000 0.408 80 N N 2.603 121.335 118.700 0.053 0.000 2.482 80 N HA 0.159 4.900 4.740 0.000 0.000 0.242 80 N C -0.355 175.177 175.510 0.036 0.000 1.100 80 N CA 0.255 53.349 53.050 0.074 0.000 0.946 80 N CB 0.335 38.864 38.487 0.070 0.000 1.227 80 N HN 0.597 nan 8.380 nan 0.000 0.508 81 N N 2.371 121.083 118.700 0.021 0.000 2.521 81 N HA 0.083 4.823 4.740 0.000 0.000 0.188 81 N C 0.858 176.333 175.510 -0.058 0.000 1.146 81 N CA 0.399 53.439 53.050 -0.016 0.000 0.893 81 N CB 0.274 38.748 38.487 -0.022 0.000 0.975 81 N HN 0.712 nan 8.380 nan 0.000 0.451 82 G N 0.327 109.100 108.800 -0.045 0.000 2.175 82 G HA2 -0.300 3.660 3.960 0.000 0.000 0.244 82 G HA3 -0.300 3.660 3.960 0.000 0.000 0.244 82 G C 0.956 175.771 174.900 -0.142 0.000 0.982 82 G CA 0.743 45.807 45.100 -0.060 0.000 0.641 82 G HN 0.461 nan 8.290 nan 0.000 0.527 83 T N -1.765 112.639 114.554 -0.250 0.000 3.054 83 T HA 0.481 4.831 4.350 0.000 0.000 0.255 83 T C 0.585 175.154 174.700 -0.217 0.000 1.035 83 T CA 0.797 62.631 62.100 -0.444 0.000 0.941 83 T CB 0.651 68.946 68.868 -0.954 0.000 1.026 83 T HN 0.396 nan 8.240 nan 0.000 0.533 84 E N 1.545 121.653 120.200 -0.153 0.000 2.318 84 E HA 0.560 4.910 4.350 0.000 0.000 0.265 84 E C -0.390 176.065 176.600 -0.240 0.000 1.069 84 E CA -0.370 55.883 56.400 -0.245 0.000 0.893 84 E CB 0.737 30.217 29.700 -0.367 0.000 1.076 84 E HN 0.381 nan 8.360 nan 0.000 0.414 85 Q N 1.229 120.791 119.800 -0.396 0.000 2.285 85 Q HA 0.343 4.683 4.340 0.000 0.000 0.269 85 Q C -1.480 174.275 176.000 -0.408 0.000 1.030 85 Q CA -0.690 54.978 55.803 -0.225 0.000 0.788 85 Q CB 1.523 30.205 28.738 -0.094 0.000 1.266 85 Q HN 0.504 nan 8.270 nan 0.000 0.438 86 Y N 0.941 121.179 120.300 -0.104 0.000 2.356 86 Y HA 0.534 5.084 4.550 0.000 0.000 0.334 86 Y C -0.214 175.591 175.900 -0.159 0.000 0.958 86 Y CA -0.839 57.160 58.100 -0.169 0.000 1.196 86 Y CB 1.396 39.725 38.460 -0.219 0.000 1.137 86 Y HN 0.327 nan 8.280 nan 0.000 0.485 87 V N 2.719 122.596 119.914 -0.062 0.000 2.914 87 V HA 0.942 5.063 4.120 0.000 0.000 0.314 87 V C 0.071 176.106 176.094 -0.097 0.000 1.084 87 V CA -0.564 61.697 62.300 -0.065 0.000 0.963 87 V CB 1.964 33.751 31.823 -0.059 0.000 1.025 87 V HN 0.843 nan 8.190 nan 0.000 0.432 88 G N 3.114 111.876 108.800 -0.064 0.000 2.502 88 G HA2 0.532 4.492 3.960 0.000 0.000 0.305 88 G HA3 0.532 4.492 3.960 0.000 0.000 0.305 88 G C -0.830 174.063 174.900 -0.011 0.000 1.190 88 G CA -0.528 44.553 45.100 -0.032 0.000 0.933 88 G HN 0.880 nan 8.290 nan 0.000 0.503 89 V N 1.062 121.006 119.914 0.050 0.000 2.368 89 V HA 0.147 4.267 4.120 0.000 0.000 0.266 89 V C 1.224 177.337 176.094 0.032 0.000 1.045 89 V CA -0.146 62.176 62.300 0.037 0.000 0.899 89 V CB 1.047 32.940 31.823 0.116 0.000 1.006 89 V HN 0.982 nan 8.190 nan 0.000 0.470 90 Q N 4.355 124.129 119.800 -0.044 0.000 2.163 90 Q HA 0.057 4.397 4.340 0.000 0.000 0.198 90 Q C 0.822 176.807 176.000 -0.025 0.000 0.954 90 Q CA 1.076 56.853 55.803 -0.043 0.000 0.851 90 Q CB 0.426 29.104 28.738 -0.099 0.000 0.928 90 Q HN 0.678 nan 8.270 nan 0.000 0.459 91 K N 0.247 120.614 120.400 -0.054 0.000 2.525 91 K HA 0.398 4.718 4.320 0.000 0.000 0.254 91 K C -1.682 174.938 176.600 0.033 0.000 0.934 91 K CA -0.484 55.801 56.287 -0.004 0.000 0.802 91 K CB 1.509 33.995 32.500 -0.023 0.000 1.295 91 K HN 0.057 nan 8.250 nan 0.000 0.433 92 I N 3.812 124.435 120.570 0.088 0.000 2.354 92 I HA 0.307 4.478 4.170 0.000 0.000 0.292 92 I C -0.708 175.499 176.117 0.151 0.000 0.989 92 I CA -1.182 60.182 61.300 0.107 0.000 1.188 92 I CB 1.990 40.050 38.000 0.099 0.000 1.342 92 I HN 0.244 nan 8.210 nan 0.000 0.457 93 V N 7.351 127.386 119.914 0.201 0.000 2.305 93 V HA 0.250 4.370 4.120 0.000 0.000 0.275 93 V C 0.080 176.364 176.094 0.317 0.000 1.020 93 V CA -0.629 61.824 62.300 0.255 0.000 0.811 93 V CB 1.471 33.456 31.823 0.269 0.000 1.031 93 V HN 0.403 nan 8.190 nan 0.000 0.439 94 V N 3.770 123.828 119.914 0.240 0.000 2.649 94 V HA 0.243 4.363 4.120 0.000 0.000 0.292 94 V C 0.671 176.899 176.094 0.223 0.000 1.055 94 V CA -0.630 61.778 62.300 0.181 0.000 1.023 94 V CB 1.120 33.028 31.823 0.141 0.000 0.992 94 V HN 0.818 nan 8.190 nan 0.000 0.480 95 H N 8.003 127.017 119.070 -0.094 0.000 3.004 95 H HA 0.046 4.602 4.556 0.000 0.000 0.316 95 H C -1.394 173.918 175.328 -0.026 0.000 1.014 95 H CA -1.338 54.478 56.048 -0.387 0.000 1.454 95 H CB 1.552 30.848 29.762 -0.778 0.000 1.472 95 H HN 0.419 nan 8.280 nan 0.000 0.571 96 P HA -0.234 nan 4.420 nan 0.000 0.217 96 P C 0.635 178.034 177.300 0.165 0.000 1.151 96 P CA 1.563 64.706 63.100 0.072 0.000 0.849 96 P CB -0.045 31.674 31.700 0.032 0.000 0.787 97 Y N -2.353 117.989 120.300 0.071 0.000 2.490 97 Y HA 0.091 4.641 4.550 0.000 0.000 0.281 97 Y C 1.528 177.404 175.900 -0.039 0.000 1.174 97 Y CA -1.169 56.780 58.100 -0.250 0.000 1.295 97 Y CB -0.935 36.832 38.460 -1.155 0.000 1.062 97 Y HN 0.106 nan 8.280 nan 0.000 0.522 98 W N 2.888 124.270 121.300 0.137 0.000 2.264 98 W HA 0.022 4.682 4.660 0.000 0.000 0.331 98 W C -0.326 176.242 176.519 0.081 0.000 1.364 98 W CA 0.142 57.565 57.345 0.131 0.000 1.253 98 W CB 0.535 30.053 29.460 0.097 0.000 1.215 98 W HN -0.008 nan 8.180 nan 0.000 0.561 99 N N 4.549 122.747 118.700 -0.837 0.000 2.511 99 N HA 0.004 4.745 4.740 0.000 0.000 0.249 99 N C 0.771 175.379 175.510 -1.503 0.000 0.971 99 N CA 0.024 52.554 53.050 -0.867 0.000 0.938 99 N CB 1.445 39.660 38.487 -0.453 0.000 1.131 99 N HN 0.546 nan 8.380 nan 0.000 0.505 100 T N 1.329 115.220 114.554 -1.106 0.000 2.996 100 T HA -0.073 4.277 4.350 0.000 0.000 0.271 100 T C 0.370 174.866 174.700 -0.340 0.000 1.126 100 T CA 1.308 63.075 62.100 -0.556 0.000 1.103 100 T CB 0.065 68.908 68.868 -0.041 0.000 0.870 100 T HN 0.491 nan 8.240 nan 0.000 0.528 101 D N 0.128 120.305 120.400 -0.372 0.000 2.398 101 D HA 0.146 4.786 4.640 0.000 0.000 0.210 101 D C -0.043 176.108 176.300 -0.248 0.000 1.094 101 D CA 0.120 53.983 54.000 -0.229 0.000 0.839 101 D CB 0.449 41.153 40.800 -0.160 0.000 0.963 101 D HN 0.354 nan 8.370 nan 0.000 0.506 102 D N 0.916 121.095 120.400 -0.369 0.000 2.517 102 D HA 0.012 4.652 4.640 0.000 0.000 0.263 102 D C 1.012 177.126 176.300 -0.310 0.000 1.233 102 D CA -0.397 53.432 54.000 -0.285 0.000 0.849 102 D CB 0.897 41.569 40.800 -0.213 0.000 1.261 102 D HN -0.263 nan 8.370 nan 0.000 0.516 103 V N 3.077 122.849 119.914 -0.237 0.000 2.392 103 V HA -0.193 3.927 4.120 0.000 0.000 0.249 103 V C 2.035 178.076 176.094 -0.089 0.000 1.059 103 V CA 2.653 64.939 62.300 -0.024 0.000 1.051 103 V CB -0.319 31.468 31.823 -0.060 0.000 0.658 103 V HN 0.559 nan 8.190 nan 0.000 0.455 104 A N -0.598 122.033 122.820 -0.315 0.000 2.178 104 A HA 0.114 4.434 4.320 0.000 0.000 0.218 104 A C 2.287 179.818 177.584 -0.088 0.000 1.157 104 A CA 1.610 53.467 52.037 -0.299 0.000 0.689 104 A CB -0.696 18.098 19.000 -0.342 0.000 0.787 104 A HN 0.872 nan 8.150 nan 0.000 0.465 105 A N -1.311 121.472 122.820 -0.061 0.000 2.014 105 A HA 0.434 4.754 4.320 0.000 0.000 0.218 105 A C 1.632 179.220 177.584 0.008 0.000 1.163 105 A CA 1.578 53.614 52.037 -0.003 0.000 0.652 105 A CB -0.779 18.223 19.000 0.003 0.000 0.808 105 A HN 2.061 nan 8.150 nan 0.000 0.449 106 G N -2.800 106.040 108.800 0.066 0.000 2.500 106 G HA2 0.012 3.972 3.960 0.000 0.000 0.209 106 G HA3 0.012 3.972 3.960 0.000 0.000 0.209 106 G C 0.107 175.085 174.900 0.130 0.000 1.283 106 G CA -0.087 44.999 45.100 -0.023 0.000 0.960 106 G HN 1.076 nan 8.290 nan 0.000 0.528 107 Y N -1.445 118.898 120.300 0.071 0.000 4.324 107 Y HA -0.163 4.387 4.550 0.000 0.000 0.224 107 Y C 0.930 176.734 175.900 -0.159 0.000 1.113 107 Y CA 1.082 59.058 58.100 -0.207 0.000 1.887 107 Y CB -1.731 36.647 38.460 -0.137 0.000 1.602 107 Y HN 0.779 nan 8.280 nan 0.000 0.654 108 D N 1.591 121.967 120.400 -0.040 0.000 2.551 108 D HA 0.476 5.116 4.640 0.000 0.000 0.223 108 D C -0.030 176.005 176.300 -0.443 0.000 1.144 108 D CA 0.340 54.127 54.000 -0.355 0.000 1.025 108 D CB -0.353 40.377 40.800 -0.117 0.000 1.085 108 D HN 0.465 nan 8.370 nan 0.000 0.506 109 I N 0.839 121.108 120.570 -0.502 0.000 2.842 109 I HA 0.658 4.828 4.170 0.000 0.000 0.297 109 I C -2.000 173.980 176.117 -0.227 0.000 1.380 109 I CA -0.582 60.492 61.300 -0.377 0.000 1.018 109 I CB 1.784 39.494 38.000 -0.483 0.000 1.311 109 I HN 0.256 nan 8.210 nan 0.000 0.439 110 A N 6.866 129.666 122.820 -0.034 0.000 2.574 110 A HA 0.770 5.090 4.320 0.000 0.000 0.297 110 A C -2.101 175.605 177.584 0.204 0.000 1.062 110 A CA -0.534 51.592 52.037 0.148 0.000 0.686 110 A CB 1.646 20.625 19.000 -0.034 0.000 1.285 110 A HN 0.620 nan 8.150 nan 0.000 0.403 111 L N 1.246 122.641 121.223 0.286 0.000 2.331 111 L HA 0.670 5.010 4.340 0.000 0.000 0.275 111 L C -0.947 176.115 176.870 0.320 0.000 1.022 111 L CA -0.685 54.303 54.840 0.246 0.000 0.812 111 L CB 1.665 43.755 42.059 0.052 0.000 1.257 111 L HN 0.617 nan 8.230 nan 0.000 0.435 112 L N 3.025 124.448 121.223 0.334 0.000 2.415 112 L HA 0.502 4.842 4.340 0.000 0.000 0.268 112 L C -0.281 176.527 176.870 -0.103 0.000 0.984 112 L CA -0.471 54.441 54.840 0.120 0.000 0.853 112 L CB 1.764 43.830 42.059 0.011 0.000 1.215 112 L HN 0.576 nan 8.230 nan 0.000 0.419 113 R N 3.212 123.371 120.500 -0.568 0.000 2.389 113 R HA 0.518 4.858 4.340 0.000 0.000 0.295 113 R C -0.612 175.372 176.300 -0.526 0.000 1.075 113 R CA -0.372 55.013 56.100 -1.191 0.000 1.005 113 R CB 0.704 30.152 30.300 -1.419 0.000 0.987 113 R HN 0.568 nan 8.270 nan 0.000 0.452 114 L N 3.612 124.568 121.223 -0.446 0.000 2.421 114 L HA 0.276 4.616 4.340 0.000 0.000 0.263 114 L C 1.535 178.293 176.870 -0.188 0.000 1.122 114 L CA -0.369 54.332 54.840 -0.232 0.000 0.804 114 L CB 1.121 43.080 42.059 -0.167 0.000 1.150 114 L HN 0.836 nan 8.230 nan 0.000 0.457 115 A N 1.798 124.552 122.820 -0.110 0.000 1.858 115 A HA -0.094 4.226 4.320 0.000 0.000 0.216 115 A C 0.796 178.335 177.584 -0.075 0.000 1.190 115 A CA 1.175 53.166 52.037 -0.076 0.000 0.617 115 A CB -0.262 18.716 19.000 -0.037 0.000 0.827 115 A HN 0.830 nan 8.150 nan 0.000 0.443 116 Q N -1.245 118.515 119.800 -0.067 0.000 2.416 116 Q HA 0.647 4.987 4.340 0.000 0.000 0.279 116 Q C -1.149 174.815 176.000 -0.061 0.000 1.101 116 Q CA -0.867 54.904 55.803 -0.053 0.000 0.830 116 Q CB 1.595 30.315 28.738 -0.030 0.000 1.402 116 Q HN 0.128 nan 8.270 nan 0.000 0.445 117 S N 1.069 116.741 115.700 -0.046 0.000 2.537 117 S HA 0.350 4.820 4.470 0.000 0.000 0.275 117 S C 0.223 174.811 174.600 -0.020 0.000 1.272 117 S CA -0.870 57.308 58.200 -0.037 0.000 1.050 117 S CB 0.965 64.152 63.200 -0.022 0.000 0.961 117 S HN 0.462 nan 8.310 nan 0.000 0.496 118 V N 1.740 121.645 119.914 -0.015 0.000 2.811 118 V HA 0.390 4.510 4.120 0.000 0.000 0.302 118 V C 0.382 176.481 176.094 0.007 0.000 1.063 118 V CA -0.557 61.740 62.300 -0.006 0.000 1.088 118 V CB 0.238 32.058 31.823 -0.005 0.000 0.982 118 V HN 0.739 nan 8.190 nan 0.000 0.485 119 T N 6.084 120.646 114.554 0.013 0.000 2.761 119 T HA 0.462 4.812 4.350 0.000 0.000 0.296 119 T C 0.050 174.766 174.700 0.027 0.000 0.934 119 T CA -0.163 61.949 62.100 0.019 0.000 1.091 119 T CB 0.216 69.099 68.868 0.024 0.000 0.896 119 T HN 0.561 nan 8.240 nan 0.000 0.515 120 L N 5.036 126.272 121.223 0.022 0.000 2.380 120 L HA 0.407 4.747 4.340 0.000 0.000 0.273 120 L C 0.655 177.532 176.870 0.011 0.000 1.138 120 L CA -0.373 54.480 54.840 0.021 0.000 0.832 120 L CB 0.253 42.322 42.059 0.016 0.000 1.124 120 L HN 0.816 nan 8.230 nan 0.000 0.454 121 N N -0.734 117.968 118.700 0.004 0.000 3.588 121 N HA 0.118 4.858 4.740 0.000 0.000 0.340 121 N C 0.279 175.723 175.510 -0.109 0.000 1.609 121 N CA -0.164 52.862 53.050 -0.039 0.000 0.811 121 N CB 0.285 38.769 38.487 -0.005 0.000 2.184 121 N HN 0.276 nan 8.380 nan 0.000 0.577 122 S N -2.080 113.459 115.700 -0.268 0.000 2.489 122 S HA -0.005 4.465 4.470 0.000 0.000 0.228 122 S C 0.620 174.990 174.600 -0.383 0.000 0.995 122 S CA 0.532 58.507 58.200 -0.375 0.000 0.934 122 S CB -0.703 62.182 63.200 -0.526 0.000 0.771 122 S HN 0.519 nan 8.310 nan 0.000 0.522 123 Y N 1.070 121.362 120.300 -0.013 0.000 2.509 123 Y HA 0.461 5.012 4.550 0.000 0.000 0.270 123 Y C 0.585 176.491 175.900 0.010 0.000 1.103 123 Y CA -0.526 57.571 58.100 -0.005 0.000 1.278 123 Y CB 0.285 38.743 38.460 -0.003 0.000 1.087 123 Y HN 0.111 nan 8.280 nan 0.000 0.542 124 V N 2.012 122.003 119.914 0.129 0.000 2.325 124 V HA 0.379 4.499 4.120 0.000 0.000 0.280 124 V C -0.670 175.456 176.094 0.052 0.000 1.016 124 V CA -0.870 61.484 62.300 0.091 0.000 0.818 124 V CB 1.035 32.905 31.823 0.078 0.000 1.019 124 V HN 0.101 nan 8.190 nan 0.000 0.434 125 Q N 3.389 123.223 119.800 0.056 0.000 2.413 125 Q HA 0.694 5.034 4.340 0.000 0.000 0.276 125 Q C -1.036 175.003 176.000 0.065 0.000 1.099 125 Q CA -0.912 54.918 55.803 0.044 0.000 0.814 125 Q CB 3.144 31.898 28.738 0.025 0.000 1.379 125 Q HN 0.588 nan 8.270 nan 0.000 0.436 126 L N 0.654 121.913 121.223 0.059 0.000 2.417 126 L HA 0.484 4.824 4.340 0.000 0.000 0.268 126 L C 0.751 177.670 176.870 0.081 0.000 1.158 126 L CA -0.539 54.343 54.840 0.069 0.000 0.819 126 L CB 0.239 42.332 42.059 0.057 0.000 1.112 126 L HN 0.682 nan 8.230 nan 0.000 0.458 127 G N 1.212 110.068 108.800 0.094 0.000 2.420 127 G HA2 0.470 4.430 3.960 0.000 0.000 0.284 127 G HA3 0.470 4.430 3.960 0.000 0.000 0.284 127 G C -0.473 174.478 174.900 0.085 0.000 1.177 127 G CA -0.443 44.725 45.100 0.114 0.000 0.841 127 G HN 0.325 nan 8.290 nan 0.000 0.527 128 V N 2.956 122.928 119.914 0.098 0.000 2.461 128 V HA 0.262 4.382 4.120 0.000 0.000 0.275 128 V C 0.522 176.637 176.094 0.035 0.000 1.047 128 V CA -0.348 61.992 62.300 0.067 0.000 0.955 128 V CB 0.761 32.636 31.823 0.087 0.000 0.988 128 V HN 0.460 nan 8.190 nan 0.000 0.471 129 L N 7.084 128.304 121.223 -0.005 0.000 2.360 129 L HA 0.536 4.877 4.340 0.000 0.000 0.271 129 L C -1.800 175.007 176.870 -0.104 0.000 1.057 129 L CA -1.737 53.068 54.840 -0.059 0.000 0.803 129 L CB 1.644 43.680 42.059 -0.038 0.000 1.207 129 L HN 0.448 nan 8.230 nan 0.000 0.445 130 P HA 0.088 nan 4.420 nan 0.000 0.273 130 P C -0.868 176.375 177.300 -0.096 0.000 1.250 130 P CA -0.616 62.343 63.100 -0.235 0.000 0.793 130 P CB 0.755 32.139 31.700 -0.527 0.000 1.011 131 R N 0.581 121.053 120.500 -0.046 0.000 2.543 131 R HA 0.390 4.730 4.340 0.000 0.000 0.277 131 R C 0.028 176.315 176.300 -0.021 0.000 1.074 131 R CA -0.420 55.667 56.100 -0.021 0.000 1.076 131 R CB 0.010 30.308 30.300 -0.004 0.000 0.993 131 R HN 0.576 nan 8.270 nan 0.000 0.459 132 A N 2.965 125.774 122.820 -0.018 0.000 2.573 132 A HA 0.259 4.580 4.320 0.000 0.000 0.250 132 A C 1.316 178.887 177.584 -0.022 0.000 1.049 132 A CA 0.933 52.958 52.037 -0.019 0.000 0.767 132 A CB -0.732 18.259 19.000 -0.017 0.000 0.965 132 A HN 1.214 nan 8.150 nan 0.000 0.514 133 G N 2.387 111.169 108.800 -0.030 0.000 2.179 133 G HA2 -0.227 3.733 3.960 0.000 0.000 0.260 133 G HA3 -0.227 3.733 3.960 0.000 0.000 0.260 133 G C 0.451 175.344 174.900 -0.012 0.000 0.977 133 G CA 0.489 45.569 45.100 -0.034 0.000 0.641 133 G HN 1.328 nan 8.290 nan 0.000 0.533 134 T N 1.973 116.534 114.554 0.012 0.000 2.908 134 T HA 0.445 4.795 4.350 0.000 0.000 0.301 134 T C 0.402 175.141 174.700 0.065 0.000 1.019 134 T CA 0.417 62.547 62.100 0.050 0.000 1.152 134 T CB 1.210 70.138 68.868 0.100 0.000 0.966 134 T HN 0.245 nan 8.240 nan 0.000 0.540 135 I N 4.035 124.630 120.570 0.042 0.000 2.410 135 I HA 0.305 4.475 4.170 0.000 0.000 0.286 135 I C 0.192 176.313 176.117 0.006 0.000 1.009 135 I CA -0.805 60.510 61.300 0.024 0.000 1.111 135 I CB 1.395 39.392 38.000 -0.005 0.000 1.262 135 I HN 0.533 nan 8.210 nan 0.000 0.443 136 L N 4.869 126.078 121.223 -0.024 0.000 2.416 136 L HA 0.342 4.682 4.340 0.000 0.000 0.272 136 L C 1.043 177.881 176.870 -0.053 0.000 1.161 136 L CA -0.264 54.527 54.840 -0.081 0.000 0.845 136 L CB 0.731 42.677 42.059 -0.188 0.000 1.119 136 L HN 0.691 nan 8.230 nan 0.000 0.464 137 A N 3.005 125.796 122.820 -0.048 0.000 2.445 137 A HA 0.078 4.398 4.320 0.000 0.000 0.242 137 A C 0.221 177.782 177.584 -0.038 0.000 1.075 137 A CA -0.354 51.664 52.037 -0.032 0.000 0.777 137 A CB -0.020 18.965 19.000 -0.024 0.000 1.013 137 A HN 0.816 nan 8.150 nan 0.000 0.493 138 N N 1.692 120.375 118.700 -0.028 0.000 2.294 138 N HA -0.128 4.612 4.740 0.000 0.000 0.248 138 N C 0.615 176.106 175.510 -0.032 0.000 1.242 138 N CA 1.606 54.636 53.050 -0.033 0.000 0.848 138 N CB -0.135 38.333 38.487 -0.031 0.000 1.084 138 N HN 0.815 nan 8.380 nan 0.000 0.457 139 N N 1.137 119.814 118.700 -0.039 0.000 2.756 139 N HA -0.229 4.511 4.740 0.000 0.000 0.248 139 N C -1.347 174.146 175.510 -0.029 0.000 1.062 139 N CA 0.333 53.365 53.050 -0.030 0.000 0.696 139 N CB -0.977 37.512 38.487 0.003 0.000 0.946 139 N HN 0.445 nan 8.380 nan 0.000 0.548 140 S N 1.089 116.749 115.700 -0.067 0.000 2.565 140 S HA 0.369 4.839 4.470 0.000 0.000 0.274 140 S C -2.135 172.425 174.600 -0.067 0.000 1.309 140 S CA -0.790 57.373 58.200 -0.063 0.000 1.043 140 S CB 1.638 64.769 63.200 -0.115 0.000 0.939 140 S HN 0.236 nan 8.310 nan 0.000 0.504 141 P HA 0.303 nan 4.420 nan 0.000 0.276 141 P C -0.980 176.373 177.300 0.087 0.000 1.253 141 P CA -0.160 63.014 63.100 0.124 0.000 0.766 141 P CB -0.048 31.829 31.700 0.295 0.000 0.845 142 c N 3.829 122.354 118.600 -0.125 0.000 3.241 142 c HA 0.610 5.181 4.570 0.000 0.000 0.312 142 c C -1.020 172.944 174.090 -0.209 0.000 1.350 142 c CA -0.479 55.849 56.329 -0.001 0.000 1.415 142 c CB 1.460 43.866 42.510 -0.172 0.000 1.770 142 c HN 0.495 nan 8.230 nan 0.000 0.466 143 Y N 0.761 121.048 120.300 -0.021 0.000 2.442 143 Y HA 0.688 5.238 4.550 0.000 0.000 0.344 143 Y C -0.090 175.675 175.900 -0.225 0.000 0.976 143 Y CA -0.741 57.305 58.100 -0.090 0.000 1.040 143 Y CB 1.338 39.755 38.460 -0.072 0.000 1.228 143 Y HN 0.676 nan 8.280 nan 0.000 0.451 144 I N 3.452 123.985 120.570 -0.060 0.000 2.437 144 I HA 0.633 4.803 4.170 0.000 0.000 0.298 144 I C -0.560 175.468 176.117 -0.149 0.000 0.984 144 I CA -0.228 61.023 61.300 -0.082 0.000 1.214 144 I CB 1.106 39.149 38.000 0.072 0.000 1.365 144 I HN 0.800 nan 8.210 nan 0.000 0.469 145 T N 2.806 117.226 114.554 -0.222 0.000 2.876 145 T HA 0.933 5.283 4.350 0.000 0.000 0.289 145 T C -0.375 174.176 174.700 -0.249 0.000 1.014 145 T CA -0.594 61.313 62.100 -0.321 0.000 0.986 145 T CB 1.826 70.358 68.868 -0.559 0.000 1.021 145 T HN 1.045 nan 8.240 nan 0.000 0.458 146 G N 0.211 108.795 108.800 -0.360 0.000 2.328 146 G HA2 0.388 4.348 3.960 0.000 0.000 0.295 146 G HA3 0.388 4.348 3.960 0.000 0.000 0.295 146 G C -1.112 173.534 174.900 -0.422 0.000 1.413 146 G CA -0.856 44.060 45.100 -0.306 0.000 0.817 146 G HN 0.659 nan 8.290 nan 0.000 0.546 147 W N 1.099 122.360 121.300 -0.065 0.000 3.123 147 W HA 0.355 5.015 4.660 0.000 0.000 0.383 147 W C 1.191 177.674 176.519 -0.061 0.000 1.102 147 W CA -0.064 57.174 57.345 -0.177 0.000 1.865 147 W CB 0.778 29.911 29.460 -0.544 0.000 1.111 147 W HN 0.824 nan 8.180 nan 0.000 0.621 148 G N 1.058 109.970 108.800 0.186 0.000 2.631 148 G HA2 0.254 4.214 3.960 0.000 0.000 0.271 148 G HA3 0.254 4.214 3.960 0.000 0.000 0.271 148 G C 0.067 175.036 174.900 0.115 0.000 1.302 148 G CA -0.643 44.563 45.100 0.177 0.000 1.002 148 G HN -0.054 nan 8.290 nan 0.000 0.519 149 L N -0.344 120.942 121.223 0.105 0.000 2.514 149 L HA 0.078 4.418 4.340 0.000 0.000 0.280 149 L C 2.014 178.919 176.870 0.058 0.000 1.223 149 L CA 0.474 55.362 54.840 0.080 0.000 0.864 149 L CB 0.626 42.730 42.059 0.074 0.000 1.118 149 L HN 0.796 nan 8.230 nan 0.000 0.494 150 T N -1.140 113.444 114.554 0.050 0.000 3.015 150 T HA 0.068 4.418 4.350 0.000 0.000 0.250 150 T C 0.699 175.422 174.700 0.038 0.000 1.057 150 T CA -0.167 61.956 62.100 0.039 0.000 1.066 150 T CB 0.150 69.039 68.868 0.035 0.000 0.959 150 T HN 0.547 nan 8.240 nan 0.000 0.488 151 R N 1.658 122.182 120.500 0.040 0.000 2.476 151 R HA 0.407 4.747 4.340 0.000 0.000 0.305 151 R C -0.706 175.617 176.300 0.038 0.000 0.965 151 R CA -0.355 55.767 56.100 0.036 0.000 0.867 151 R CB 1.397 31.717 30.300 0.033 0.000 1.176 151 R HN 0.092 nan 8.270 nan 0.000 0.447 152 T N 3.508 118.083 114.554 0.036 0.000 2.750 152 T HA -0.067 4.283 4.350 0.000 0.000 0.277 152 T C 0.408 175.130 174.700 0.036 0.000 0.996 152 T CA 1.558 63.681 62.100 0.037 0.000 1.195 152 T CB -0.366 68.522 68.868 0.032 0.000 0.963 152 T HN 0.922 nan 8.240 nan 0.000 0.516 153 N N 2.185 120.910 118.700 0.041 0.000 2.861 153 N HA -0.119 4.621 4.740 0.000 0.000 0.247 153 N C 0.251 175.784 175.510 0.039 0.000 1.117 153 N CA 1.233 54.306 53.050 0.039 0.000 0.703 153 N CB -1.216 37.290 38.487 0.032 0.000 1.052 153 N HN 0.878 nan 8.380 nan 0.000 0.555 154 G N -0.877 107.949 108.800 0.044 0.000 3.341 154 G HA2 0.581 4.541 3.960 0.000 0.000 0.177 154 G HA3 0.581 4.541 3.960 0.000 0.000 0.177 154 G C -0.691 174.240 174.900 0.051 0.000 1.236 154 G CA -0.044 45.082 45.100 0.044 0.000 0.888 154 G HN 0.396 nan 8.290 nan 0.000 0.644 155 Q N -0.631 119.200 119.800 0.053 0.000 2.351 155 Q HA 0.694 5.034 4.340 0.000 0.000 0.273 155 Q C -0.867 175.176 176.000 0.072 0.000 1.077 155 Q CA -0.861 54.979 55.803 0.060 0.000 0.843 155 Q CB 2.253 31.022 28.738 0.052 0.000 1.367 155 Q HN 0.331 nan 8.270 nan 0.000 0.449 156 L N 1.371 122.646 121.223 0.086 0.000 2.461 156 L HA 0.378 4.718 4.340 0.000 0.000 0.272 156 L C 0.192 177.119 176.870 0.095 0.000 1.197 156 L CA -0.456 54.448 54.840 0.107 0.000 0.836 156 L CB 0.670 42.807 42.059 0.130 0.000 1.105 156 L HN 0.840 nan 8.230 nan 0.000 0.477 157 A N 2.536 125.422 122.820 0.111 0.000 2.401 157 A HA 0.204 4.524 4.320 0.000 0.000 0.259 157 A C 0.699 178.381 177.584 0.164 0.000 1.103 157 A CA -0.256 51.847 52.037 0.109 0.000 0.789 157 A CB 0.710 19.751 19.000 0.069 0.000 1.035 157 A HN 0.920 nan 8.150 nan 0.000 0.491 158 Q N 0.391 120.261 119.800 0.116 0.000 2.123 158 Q HA -0.020 4.320 4.340 0.000 0.000 0.196 158 Q C 0.686 176.786 176.000 0.166 0.000 0.958 158 Q CA 1.516 57.381 55.803 0.102 0.000 0.841 158 Q CB 0.006 28.780 28.738 0.060 0.000 0.915 158 Q HN 0.938 nan 8.270 nan 0.000 0.455 159 T N -1.315 113.297 114.554 0.097 0.000 2.895 159 T HA 0.419 4.770 4.350 0.000 0.000 0.283 159 T C -0.212 174.352 174.700 -0.227 0.000 1.014 159 T CA -0.930 61.121 62.100 -0.080 0.000 1.037 159 T CB 1.443 70.222 68.868 -0.148 0.000 1.006 159 T HN 0.010 nan 8.240 nan 0.000 0.468 160 L N 2.815 123.720 121.223 -0.530 0.000 2.559 160 L HA 0.203 4.543 4.340 0.000 0.000 0.274 160 L C 0.117 176.716 176.870 -0.451 0.000 1.205 160 L CA 0.798 55.073 54.840 -0.943 0.000 0.907 160 L CB -0.136 41.481 42.059 -0.737 0.000 1.153 160 L HN 0.649 nan 8.230 nan 0.000 0.490 161 Q N 4.421 123.959 119.800 -0.437 0.000 2.241 161 Q HA 0.504 4.844 4.340 0.000 0.000 0.262 161 Q C -0.983 174.931 176.000 -0.143 0.000 1.014 161 Q CA -0.524 55.169 55.803 -0.183 0.000 0.885 161 Q CB 1.991 30.653 28.738 -0.127 0.000 1.311 161 Q HN 0.780 nan 8.270 nan 0.000 0.461 162 Q N -1.048 118.743 119.800 -0.015 0.000 2.418 162 Q HA 0.870 5.210 4.340 0.000 0.000 0.282 162 Q C -1.913 174.163 176.000 0.126 0.000 1.044 162 Q CA -1.086 54.737 55.803 0.034 0.000 0.813 162 Q CB 2.187 31.024 28.738 0.165 0.000 1.428 162 Q HN 0.553 nan 8.270 nan 0.000 0.402 163 A N 1.385 124.297 122.820 0.153 0.000 2.566 163 A HA 0.452 4.772 4.320 0.000 0.000 0.297 163 A C -2.130 175.484 177.584 0.051 0.000 1.059 163 A CA -0.662 51.460 52.037 0.142 0.000 0.691 163 A CB 1.163 20.204 19.000 0.069 0.000 1.282 163 A HN 0.713 nan 8.150 nan 0.000 0.401 164 Y N 1.938 122.142 120.300 -0.161 0.000 2.650 164 Y HA 0.427 4.977 4.550 0.000 0.000 0.331 164 Y C -0.445 175.298 175.900 -0.261 0.000 1.165 164 Y CA 0.066 57.869 58.100 -0.494 0.000 1.473 164 Y CB 0.591 38.848 38.460 -0.337 0.000 1.224 164 Y HN 0.524 nan 8.280 nan 0.000 0.533 165 L N 10.531 131.293 121.223 -0.767 0.000 2.502 165 L HA 0.432 4.773 4.340 0.000 0.000 0.249 165 L C -2.433 174.080 176.870 -0.595 0.000 1.446 165 L CA -2.077 52.457 54.840 -0.509 0.000 0.887 165 L CB 0.810 42.736 42.059 -0.222 0.000 1.126 165 L HN 0.483 nan 8.230 nan 0.000 0.509 166 P HA 0.087 nan 4.420 nan 0.000 0.268 166 P C -0.230 176.920 177.300 -0.249 0.000 1.208 166 P CA -0.015 62.784 63.100 -0.501 0.000 0.777 166 P CB 0.345 31.813 31.700 -0.387 0.000 0.875 167 T N -1.232 113.212 114.554 -0.183 0.000 2.899 167 T HA 0.308 4.658 4.350 0.000 0.000 0.295 167 T C 0.116 174.777 174.700 -0.064 0.000 1.033 167 T CA -0.567 61.462 62.100 -0.119 0.000 1.084 167 T CB 0.257 69.051 68.868 -0.123 0.000 0.979 167 T HN 0.176 nan 8.240 nan 0.000 0.532 168 V N 3.955 123.851 119.914 -0.030 0.000 2.325 168 V HA 0.268 4.388 4.120 0.000 0.000 0.280 168 V C 0.078 176.152 176.094 -0.033 0.000 1.016 168 V CA -1.135 61.145 62.300 -0.035 0.000 0.818 168 V CB 0.628 32.451 31.823 0.000 0.000 1.019 168 V HN 1.152 nan 8.190 nan 0.000 0.434 169 D N 2.746 123.122 120.400 -0.040 0.000 2.370 169 D HA -0.166 4.474 4.640 0.000 0.000 0.235 169 D C 1.073 177.389 176.300 0.026 0.000 1.228 169 D CA 0.104 54.106 54.000 0.003 0.000 0.884 169 D CB 0.735 41.535 40.800 -0.000 0.000 1.201 169 D HN 0.422 nan 8.370 nan 0.000 0.456 170 Y N 1.176 121.453 120.300 -0.039 0.000 2.081 170 Y HA -0.234 4.317 4.550 0.000 0.000 0.280 170 Y C 2.618 178.497 175.900 -0.036 0.000 1.163 170 Y CA 2.859 60.944 58.100 -0.023 0.000 1.135 170 Y CB -0.843 37.608 38.460 -0.015 0.000 0.970 170 Y HN 0.533 nan 8.280 nan 0.000 0.498 171 A N 0.392 123.237 122.820 0.041 0.000 1.896 171 A HA -0.287 4.033 4.320 0.000 0.000 0.220 171 A C 2.319 179.798 177.584 -0.175 0.000 1.206 171 A CA 2.662 54.668 52.037 -0.052 0.000 0.647 171 A CB -1.286 17.709 19.000 -0.008 0.000 0.828 171 A HN 0.601 nan 8.150 nan 0.000 0.455 172 I N -1.723 118.718 120.570 -0.216 0.000 2.235 172 I HA -0.213 3.957 4.170 0.000 0.000 0.241 172 I C 2.637 178.455 176.117 -0.498 0.000 1.085 172 I CA 1.020 62.086 61.300 -0.390 0.000 1.378 172 I CB -0.608 37.111 38.000 -0.468 0.000 1.076 172 I HN 0.505 nan 8.210 nan 0.000 0.415 173 c N 1.171 119.565 118.600 -0.343 0.000 2.403 173 c HA -0.167 4.404 4.570 0.000 0.000 0.277 173 c C 3.153 177.220 174.090 -0.038 0.000 1.248 173 c CA 1.826 58.083 56.329 -0.119 0.000 1.762 173 c CB -1.077 41.445 42.510 0.021 0.000 2.014 173 c HN 0.658 nan 8.230 nan 0.000 0.486 174 S N 0.407 115.933 115.700 -0.290 0.000 2.593 174 S HA 0.070 4.541 4.470 0.000 0.000 0.217 174 S C 0.637 175.160 174.600 -0.127 0.000 0.966 174 S CA 0.503 58.528 58.200 -0.290 0.000 0.914 174 S CB -0.612 62.111 63.200 -0.794 0.000 0.776 174 S HN 0.788 nan 8.310 nan 0.000 0.523 175 S N 1.950 117.597 115.700 -0.088 0.000 2.585 175 S HA 0.267 4.738 4.470 0.000 0.000 0.273 175 S C 1.435 176.075 174.600 0.068 0.000 1.339 175 S CA -0.085 58.107 58.200 -0.014 0.000 1.028 175 S CB 1.124 64.313 63.200 -0.018 0.000 0.906 175 S HN 0.527 nan 8.310 nan 0.000 0.528 176 S N 2.093 117.821 115.700 0.046 0.000 2.374 176 S HA -0.217 4.254 4.470 0.000 0.000 0.227 176 S C 1.891 176.508 174.600 0.029 0.000 1.037 176 S CA 1.499 59.721 58.200 0.035 0.000 1.024 176 S CB -1.619 61.591 63.200 0.017 0.000 0.861 176 S HN 1.133 nan 8.310 nan 0.000 0.456 177 S N -0.092 115.649 115.700 0.067 0.000 2.474 177 S HA 0.058 4.528 4.470 0.000 0.000 0.235 177 S C 1.119 175.645 174.600 -0.123 0.000 0.997 177 S CA 0.484 58.682 58.200 -0.004 0.000 0.949 177 S CB -0.557 62.669 63.200 0.043 0.000 0.766 177 S HN 0.645 nan 8.310 nan 0.000 0.517 178 Y N -0.724 119.503 120.300 -0.121 0.000 2.800 178 Y HA 0.395 4.945 4.550 0.000 0.000 0.176 178 Y C 1.604 177.330 175.900 -0.289 0.000 0.915 178 Y CA -0.464 57.525 58.100 -0.185 0.000 1.372 178 Y CB -0.562 37.861 38.460 -0.061 0.000 1.069 178 Y HN 0.157 nan 8.280 nan 0.000 0.446 179 W N 0.206 121.621 121.300 0.190 0.000 3.107 179 W HA 0.352 5.013 4.660 0.000 0.000 0.293 179 W C 1.327 177.881 176.519 0.059 0.000 1.239 179 W CA 0.716 58.128 57.345 0.112 0.000 1.653 179 W CB 0.042 29.584 29.460 0.138 0.000 1.068 179 W HN 0.607 nan 8.180 nan 0.000 0.615 180 G N 1.419 110.346 108.800 0.212 0.000 2.614 180 G HA2 -0.485 3.475 3.960 0.000 0.000 0.303 180 G HA3 -0.485 3.475 3.960 0.000 0.000 0.303 180 G C 1.185 176.153 174.900 0.113 0.000 1.270 180 G CA 1.392 46.561 45.100 0.115 0.000 0.988 180 G HN 0.442 nan 8.290 nan 0.000 0.551 181 S N -1.033 114.729 115.700 0.102 0.000 2.555 181 S HA 0.030 4.501 4.470 0.000 0.000 0.230 181 S C 2.092 176.763 174.600 0.118 0.000 0.978 181 S CA 2.067 60.324 58.200 0.095 0.000 0.934 181 S CB -0.366 62.877 63.200 0.072 0.000 0.766 181 S HN 0.940 nan 8.310 nan 0.000 0.533 182 T N 2.453 117.113 114.554 0.178 0.000 2.746 182 T HA -0.004 4.346 4.350 0.000 0.000 0.267 182 T C 0.912 175.682 174.700 0.116 0.000 1.039 182 T CA 1.239 63.429 62.100 0.150 0.000 1.142 182 T CB -0.646 68.413 68.868 0.318 0.000 0.866 182 T HN 0.624 nan 8.240 nan 0.000 0.444 183 V N 0.342 120.356 119.914 0.167 0.000 2.546 183 V HA 0.655 4.776 4.120 0.000 0.000 0.284 183 V C -0.316 175.907 176.094 0.215 0.000 1.050 183 V CA -1.237 61.150 62.300 0.145 0.000 0.981 183 V CB 1.107 32.997 31.823 0.112 0.000 0.990 183 V HN -0.070 nan 8.190 nan 0.000 0.474 184 K N 3.070 123.590 120.400 0.201 0.000 2.211 184 K HA 0.456 4.776 4.320 0.000 0.000 0.237 184 K C 0.789 177.499 176.600 0.183 0.000 1.002 184 K CA -0.662 55.741 56.287 0.193 0.000 0.885 184 K CB 0.803 33.321 32.500 0.029 0.000 1.136 184 K HN 0.688 nan 8.250 nan 0.000 0.448 185 N N -0.237 118.412 118.700 -0.084 0.000 2.364 185 N HA -0.141 4.599 4.740 0.000 0.000 0.183 185 N C 0.501 175.911 175.510 -0.167 0.000 1.022 185 N CA 1.222 54.051 53.050 -0.367 0.000 0.883 185 N CB 0.073 38.253 38.487 -0.511 0.000 0.965 185 N HN 0.536 nan 8.380 nan 0.000 0.438 186 S N -1.115 114.512 115.700 -0.123 0.000 2.720 186 S HA 0.161 4.631 4.470 0.000 0.000 0.222 186 S C 0.453 175.061 174.600 0.013 0.000 0.958 186 S CA -0.114 58.025 58.200 -0.103 0.000 0.943 186 S CB -0.310 62.780 63.200 -0.183 0.000 0.779 186 S HN 0.140 nan 8.310 nan 0.000 0.526 187 M N 0.519 120.138 119.600 0.033 0.000 2.796 187 M HA 0.613 5.093 4.480 0.000 0.000 0.303 187 M C -1.242 175.102 176.300 0.075 0.000 1.240 187 M CA -0.938 54.397 55.300 0.058 0.000 0.831 187 M CB 2.351 34.971 32.600 0.033 0.000 1.750 187 M HN -0.110 nan 8.290 nan 0.000 0.484 188 V N 0.248 120.212 119.914 0.083 0.000 2.656 188 V HA 0.478 4.598 4.120 0.000 0.000 0.307 188 V C -1.121 175.055 176.094 0.137 0.000 1.051 188 V CA -0.793 61.559 62.300 0.086 0.000 0.893 188 V CB 2.005 33.849 31.823 0.036 0.000 0.999 188 V HN 0.966 nan 8.190 nan 0.000 0.426 189 c N 3.446 122.106 118.600 0.100 0.000 2.411 189 c HA 0.980 5.550 4.570 0.000 0.000 0.330 189 c C 0.428 174.582 174.090 0.108 0.000 1.224 189 c CA -0.532 55.879 56.329 0.136 0.000 1.770 189 c CB 0.702 43.294 42.510 0.137 0.000 2.297 189 c HN 1.077 nan 8.230 nan 0.000 0.507 190 A N 2.214 125.141 122.820 0.178 0.000 2.515 190 A HA 0.930 5.250 4.320 0.000 0.000 0.298 190 A C 0.181 177.819 177.584 0.090 0.000 1.059 190 A CA 0.492 52.564 52.037 0.058 0.000 0.698 190 A CB 0.857 19.822 19.000 -0.059 0.000 1.289 190 A HN 2.451 nan 8.150 nan 0.000 0.404 191 G N 0.867 109.665 108.800 -0.002 0.000 2.531 191 G HA2 0.340 4.300 3.960 0.000 0.000 0.274 191 G HA3 0.340 4.300 3.960 0.000 0.000 0.274 191 G C 1.542 176.489 174.900 0.078 0.000 1.159 191 G CA 1.662 46.771 45.100 0.014 0.000 0.969 191 G HN 2.906 nan 8.290 nan 0.000 0.554 192 G N -0.538 108.311 108.800 0.081 0.000 2.136 192 G HA2 -0.017 3.944 3.960 0.000 0.000 0.242 192 G HA3 -0.017 3.944 3.960 0.000 0.000 0.242 192 G C 0.695 175.615 174.900 0.033 0.000 0.989 192 G CA 1.424 46.569 45.100 0.075 0.000 0.682 192 G HN 2.234 nan 8.290 nan 0.000 0.522 193 D N -0.222 120.198 120.400 0.034 0.000 2.328 193 D HA 0.364 5.005 4.640 0.000 0.000 0.226 193 D C 1.877 178.182 176.300 0.008 0.000 1.066 193 D CA 0.722 54.737 54.000 0.025 0.000 0.861 193 D CB -0.522 40.303 40.800 0.042 0.000 0.912 193 D HN 1.530 nan 8.370 nan 0.000 0.521 194 G N -0.356 108.444 108.800 -0.000 0.000 2.304 194 G HA2 -0.374 3.587 3.960 0.000 0.000 0.252 194 G HA3 -0.374 3.587 3.960 0.000 0.000 0.252 194 G C 1.076 175.981 174.900 0.009 0.000 1.014 194 G CA 0.495 45.592 45.100 -0.006 0.000 0.619 194 G HN 0.368 nan 8.290 nan 0.000 0.525 195 V N 0.418 120.344 119.914 0.020 0.000 2.581 195 V HA 0.332 4.452 4.120 0.000 0.000 0.240 195 V C 1.470 177.584 176.094 0.034 0.000 1.054 195 V CA 1.726 64.042 62.300 0.028 0.000 1.076 195 V CB -0.005 31.839 31.823 0.035 0.000 0.748 195 V HN 0.380 nan 8.190 nan 0.000 0.474 196 R N 0.248 120.770 120.500 0.037 0.000 2.637 196 R HA 0.686 5.027 4.340 0.000 0.000 0.291 196 R C -0.578 175.743 176.300 0.035 0.000 0.963 196 R CA 0.318 56.441 56.100 0.038 0.000 0.901 196 R CB 2.062 32.387 30.300 0.043 0.000 1.160 196 R HN 0.514 nan 8.270 nan 0.000 0.457 197 S N -0.160 115.562 115.700 0.037 0.000 2.656 197 S HA 0.454 4.924 4.470 0.000 0.000 0.265 197 S C -0.475 174.145 174.600 0.033 0.000 1.110 197 S CA -0.810 57.415 58.200 0.042 0.000 0.821 197 S CB 0.691 63.916 63.200 0.043 0.000 1.099 197 S HN 0.678 nan 8.310 nan 0.000 0.471 198 G N -0.683 108.126 108.800 0.014 0.000 2.588 198 G HA2 0.624 4.585 3.960 0.000 0.000 0.281 198 G HA3 0.624 4.585 3.960 0.000 0.000 0.281 198 G C -0.324 174.579 174.900 0.005 0.000 1.236 198 G CA -0.233 44.864 45.100 -0.004 0.000 0.969 198 G HN 1.231 nan 8.290 nan 0.000 0.504 199 c N -2.030 116.584 118.600 0.023 0.000 3.320 199 c HA 0.478 5.048 4.570 0.000 0.000 0.335 199 c C -0.768 173.365 174.090 0.071 0.000 1.430 199 c CA -0.753 55.604 56.329 0.046 0.000 1.271 199 c CB 1.274 43.815 42.510 0.053 0.000 1.609 199 c HN 0.794 nan 8.230 nan 0.000 0.457 200 Q N 0.971 120.821 119.800 0.085 0.000 2.436 200 Q HA 0.377 4.718 4.340 0.000 0.000 0.326 200 Q C 0.978 177.066 176.000 0.147 0.000 1.079 200 Q CA 2.155 58.025 55.803 0.110 0.000 1.049 200 Q CB -0.121 28.680 28.738 0.105 0.000 1.047 200 Q HN 1.436 nan 8.270 nan 0.000 0.386 201 G N 2.623 111.526 108.800 0.172 0.000 2.231 201 G HA2 -0.187 3.773 3.960 0.000 0.000 0.206 201 G HA3 -0.187 3.773 3.960 0.000 0.000 0.206 201 G C 0.408 175.487 174.900 0.299 0.000 0.996 201 G CA 0.037 45.295 45.100 0.264 0.000 0.645 201 G HN 0.597 nan 8.290 nan 0.000 0.498 202 D N 1.013 121.519 120.400 0.177 0.000 2.354 202 D HA 0.232 4.873 4.640 0.000 0.000 0.209 202 D C 1.345 177.693 176.300 0.080 0.000 1.015 202 D CA 0.544 54.625 54.000 0.135 0.000 0.867 202 D CB 0.287 41.123 40.800 0.060 0.000 0.933 202 D HN 0.312 nan 8.370 nan 0.000 0.520 203 S N -0.581 115.160 115.700 0.068 0.000 2.558 203 S HA 0.263 4.733 4.470 0.000 0.000 0.287 203 S C 1.594 176.163 174.600 -0.051 0.000 1.321 203 S CA 0.955 59.166 58.200 0.018 0.000 1.048 203 S CB 0.836 64.094 63.200 0.098 0.000 0.844 203 S HN 0.486 nan 8.310 nan 0.000 0.512 204 G N 2.115 110.857 108.800 -0.097 0.000 2.304 204 G HA2 -0.234 3.727 3.960 0.000 0.000 0.252 204 G HA3 -0.234 3.727 3.960 0.000 0.000 0.252 204 G C 0.539 175.426 174.900 -0.021 0.000 1.014 204 G CA 0.255 45.291 45.100 -0.106 0.000 0.619 204 G HN 1.157 nan 8.290 nan 0.000 0.525 205 G N 1.090 109.905 108.800 0.024 0.000 2.712 205 G HA2 0.519 4.479 3.960 0.000 0.000 0.258 205 G HA3 0.519 4.479 3.960 0.000 0.000 0.258 205 G C -1.680 173.226 174.900 0.010 0.000 1.241 205 G CA 0.135 45.261 45.100 0.043 0.000 0.923 205 G HN 0.491 nan 8.290 nan 0.000 0.548 206 P HA 0.405 nan 4.420 nan 0.000 0.285 206 P C -1.274 175.776 177.300 -0.416 0.000 1.285 206 P CA -0.721 62.214 63.100 -0.275 0.000 0.854 206 P CB 2.130 33.548 31.700 -0.470 0.000 1.180 207 L N 2.205 123.122 121.223 -0.510 0.000 2.377 207 L HA 0.380 4.720 4.340 0.000 0.000 0.270 207 L C -0.583 176.012 176.870 -0.458 0.000 0.991 207 L CA -0.481 53.998 54.840 -0.600 0.000 0.851 207 L CB 0.149 41.600 42.059 -1.014 0.000 1.218 207 L HN 0.322 nan 8.230 nan 0.000 0.420 208 H N 4.245 123.216 119.070 -0.164 0.000 2.723 208 H HA 0.347 4.904 4.556 0.000 0.000 0.294 208 H C -0.660 174.815 175.328 0.245 0.000 1.079 208 H CA -0.360 55.700 56.048 0.019 0.000 1.411 208 H CB 0.889 30.529 29.762 -0.204 0.000 1.439 208 H HN 0.582 nan 8.280 nan 0.000 0.474 209 c N 4.657 123.532 118.600 0.458 0.000 2.417 209 c HA 0.234 4.804 4.570 0.000 0.000 0.324 209 c C 0.355 174.663 174.090 0.363 0.000 1.240 209 c CA -0.930 55.593 56.329 0.323 0.000 1.632 209 c CB 1.724 44.172 42.510 -0.103 0.000 2.241 209 c HN 0.652 nan 8.230 nan 0.000 0.499 210 L N 4.183 125.484 121.223 0.129 0.000 2.260 210 L HA 0.626 4.966 4.340 0.000 0.000 0.289 210 L C -0.871 175.937 176.870 -0.104 0.000 1.057 210 L CA 0.369 55.057 54.840 -0.254 0.000 0.811 210 L CB 0.974 42.765 42.059 -0.447 0.000 1.184 210 L HN 0.565 nan 8.230 nan 0.000 0.429 211 V N 5.401 125.272 119.914 -0.071 0.000 2.419 211 V HA 0.317 4.438 4.120 0.000 0.000 0.287 211 V C 0.131 176.208 176.094 -0.028 0.000 1.017 211 V CA -0.798 61.485 62.300 -0.028 0.000 0.844 211 V CB 1.120 32.960 31.823 0.028 0.000 1.011 211 V HN 0.948 nan 8.190 nan 0.000 0.429 212 N N 3.931 122.607 118.700 -0.039 0.000 2.738 212 N HA -0.202 4.538 4.740 0.000 0.000 0.249 212 N C 1.170 176.653 175.510 -0.046 0.000 1.047 212 N CA 1.076 54.107 53.050 -0.033 0.000 0.707 212 N CB -0.876 37.603 38.487 -0.013 0.000 0.937 212 N HN 1.397 nan 8.380 nan 0.000 0.545 213 G N -1.424 107.325 108.800 -0.085 0.000 2.267 213 G HA2 -0.403 3.557 3.960 0.000 0.000 0.257 213 G HA3 -0.403 3.557 3.960 0.000 0.000 0.257 213 G C 0.007 174.839 174.900 -0.114 0.000 0.998 213 G CA 0.780 45.819 45.100 -0.101 0.000 0.620 213 G HN 0.634 nan 8.290 nan 0.000 0.529 214 Q N 0.110 119.864 119.800 -0.077 0.000 2.271 214 Q HA 0.687 5.027 4.340 0.000 0.000 0.258 214 Q C -0.811 175.194 176.000 0.008 0.000 0.936 214 Q CA -0.928 54.869 55.803 -0.011 0.000 0.909 214 Q CB 0.581 29.341 28.738 0.036 0.000 1.253 214 Q HN 0.258 nan 8.270 nan 0.000 0.440 215 Y N 1.597 121.967 120.300 0.117 0.000 2.320 215 Y HA 0.726 5.276 4.550 0.000 0.000 0.324 215 Y C -0.126 175.890 175.900 0.194 0.000 1.190 215 Y CA -0.121 58.091 58.100 0.186 0.000 1.215 215 Y CB 1.915 40.499 38.460 0.206 0.000 1.221 215 Y HN 0.730 nan 8.280 nan 0.000 0.486 216 A N 1.599 124.705 122.820 0.476 0.000 2.566 216 A HA 0.573 4.894 4.320 0.000 0.000 0.297 216 A C -1.786 175.954 177.584 0.261 0.000 1.059 216 A CA -0.772 51.432 52.037 0.278 0.000 0.691 216 A CB 0.708 19.783 19.000 0.124 0.000 1.282 216 A HN 0.411 nan 8.150 nan 0.000 0.401 217 V N 4.307 124.282 119.914 0.102 0.000 2.390 217 V HA 0.092 4.212 4.120 0.000 0.000 0.260 217 V C 1.090 177.141 176.094 -0.071 0.000 1.043 217 V CA 0.323 62.620 62.300 -0.004 0.000 1.047 217 V CB -0.687 31.117 31.823 -0.032 0.000 1.066 217 V HN 0.985 nan 8.190 nan 0.000 0.481 218 H N 3.169 122.193 119.070 -0.076 0.000 2.525 218 H HA 0.238 4.794 4.556 0.000 0.000 0.275 218 H C 1.106 176.381 175.328 -0.089 0.000 0.984 218 H CA 0.822 56.829 56.048 -0.067 0.000 1.264 218 H CB 1.256 30.971 29.762 -0.079 0.000 1.432 218 H HN 0.692 nan 8.280 nan 0.000 0.549 219 G N 0.223 108.987 108.800 -0.061 0.000 2.660 219 G HA2 0.450 4.410 3.960 0.000 0.000 0.294 219 G HA3 0.450 4.410 3.960 0.000 0.000 0.294 219 G C -1.440 173.503 174.900 0.071 0.000 1.369 219 G CA -0.381 44.707 45.100 -0.020 0.000 0.912 219 G HN -0.018 nan 8.290 nan 0.000 0.479 220 V N 0.961 120.980 119.914 0.175 0.000 2.409 220 V HA 0.351 4.471 4.120 0.000 0.000 0.291 220 V C 0.406 176.600 176.094 0.168 0.000 1.020 220 V CA -0.675 61.700 62.300 0.125 0.000 0.848 220 V CB 1.480 33.301 31.823 -0.003 0.000 0.990 220 V HN 0.821 nan 8.190 nan 0.000 0.430 221 T N 3.618 118.258 114.554 0.144 0.000 2.778 221 T HA 0.021 4.371 4.350 0.000 0.000 0.282 221 T C 1.036 175.615 174.700 -0.200 0.000 0.983 221 T CA 0.824 62.767 62.100 -0.262 0.000 1.193 221 T CB 0.766 69.524 68.868 -0.184 0.000 0.938 221 T HN 0.813 nan 8.240 nan 0.000 0.523 222 S N 2.582 118.081 115.700 -0.335 0.000 2.694 222 S HA 0.497 4.967 4.470 0.000 0.000 0.225 222 S C 0.003 174.587 174.600 -0.026 0.000 1.012 222 S CA -0.251 57.907 58.200 -0.070 0.000 0.896 222 S CB 0.157 63.316 63.200 -0.068 0.000 0.838 222 S HN 0.689 nan 8.310 nan 0.000 0.604 223 F N 0.610 120.401 119.950 -0.265 0.000 2.745 223 F HA 0.793 5.320 4.527 0.000 0.000 0.316 223 F C -0.876 174.804 175.800 -0.200 0.000 1.155 223 F CA -1.057 56.806 58.000 -0.228 0.000 0.937 223 F CB 1.275 40.127 39.000 -0.247 0.000 1.361 223 F HN 0.109 nan 8.300 nan 0.000 0.472 224 V N -1.543 118.537 119.914 0.277 0.000 3.165 224 V HA 0.835 4.955 4.120 0.000 0.000 0.309 224 V C -0.306 176.124 176.094 0.560 0.000 1.267 224 V CA -0.523 61.983 62.300 0.344 0.000 1.067 224 V CB 0.802 32.734 31.823 0.182 0.000 1.082 224 V HN 1.414 nan 8.190 nan 0.000 0.451 225 S N 0.718 116.772 115.700 0.590 0.000 2.592 225 S HA 0.354 4.824 4.470 0.000 0.000 0.271 225 S C 1.033 175.761 174.600 0.213 0.000 1.326 225 S CA -0.390 58.086 58.200 0.460 0.000 1.024 225 S CB 1.042 64.312 63.200 0.116 0.000 0.921 225 S HN 0.797 nan 8.310 nan 0.000 0.527 226 R N 1.827 122.418 120.500 0.152 0.000 2.159 226 R HA -0.020 4.320 4.340 0.000 0.000 0.237 226 R C 1.810 178.141 176.300 0.052 0.000 1.131 226 R CA 1.052 57.200 56.100 0.080 0.000 0.982 226 R CB -1.076 29.254 30.300 0.051 0.000 0.868 226 R HN 0.716 nan 8.270 nan 0.000 0.453 227 L N -0.294 120.950 121.223 0.036 0.000 2.362 227 L HA 0.004 4.345 4.340 0.000 0.000 0.219 227 L C 1.125 178.007 176.870 0.019 0.000 1.134 227 L CA 0.675 55.520 54.840 0.008 0.000 0.807 227 L CB -0.372 41.669 42.059 -0.030 0.000 0.927 227 L HN 0.318 nan 8.230 nan 0.000 0.447 228 G N -2.719 106.108 108.800 0.045 0.000 2.351 228 G HA2 -0.044 3.916 3.960 0.000 0.000 0.353 228 G HA3 -0.044 3.916 3.960 0.000 0.000 0.353 228 G C -0.155 174.782 174.900 0.063 0.000 1.358 228 G CA -0.451 44.676 45.100 0.045 0.000 0.995 228 G HN -0.151 nan 8.290 nan 0.000 0.611 229 c N 0.248 118.881 118.600 0.055 0.000 3.083 229 c HA 0.128 4.698 4.570 0.000 0.000 0.291 229 c C 1.663 175.783 174.090 0.050 0.000 1.277 229 c CA 1.041 57.405 56.329 0.058 0.000 1.748 229 c CB -1.018 41.520 42.510 0.047 0.000 2.149 229 c HN 0.849 nan 8.230 nan 0.000 0.480 230 N N 1.665 120.386 118.700 0.035 0.000 2.549 230 N HA 0.155 4.895 4.740 0.000 0.000 0.267 230 N C -1.159 174.355 175.510 0.007 0.000 1.182 230 N CA 0.437 53.502 53.050 0.025 0.000 1.019 230 N CB 0.236 38.737 38.487 0.023 0.000 1.380 230 N HN 0.286 nan 8.380 nan 0.000 0.505 231 V N 1.802 121.715 119.914 -0.002 0.000 2.409 231 V HA 0.182 4.303 4.120 0.000 0.000 0.291 231 V C 0.467 176.509 176.094 -0.086 0.000 1.020 231 V CA -0.756 61.517 62.300 -0.046 0.000 0.848 231 V CB 1.621 33.408 31.823 -0.061 0.000 0.990 231 V HN 0.516 nan 8.190 nan 0.000 0.430 232 T N 5.785 120.279 114.554 -0.101 0.000 2.905 232 T HA 0.090 4.440 4.350 0.000 0.000 0.299 232 T C 0.976 175.517 174.700 -0.265 0.000 1.024 232 T CA 0.536 62.552 62.100 -0.140 0.000 1.151 232 T CB -0.202 68.593 68.868 -0.122 0.000 0.987 232 T HN 0.753 nan 8.240 nan 0.000 0.535 233 R N 1.064 121.359 120.500 -0.343 0.000 3.651 233 R HA -0.132 4.208 4.340 0.000 0.000 0.292 233 R C -0.426 175.508 176.300 -0.609 0.000 1.161 233 R CA 0.579 56.226 56.100 -0.755 0.000 0.787 233 R CB -0.703 28.970 30.300 -1.045 0.000 1.249 233 R HN 0.377 nan 8.270 nan 0.000 0.476 234 K N -0.321 119.891 120.400 -0.314 0.000 3.301 234 K HA 0.202 4.522 4.320 0.000 0.000 0.170 234 K C -2.531 174.188 176.600 0.199 0.000 1.061 234 K CA -1.452 54.638 56.287 -0.328 0.000 0.807 234 K CB 1.329 33.583 32.500 -0.410 0.000 0.889 234 K HN 0.078 nan 8.250 nan 0.000 0.564 235 P HA -0.049 nan 4.420 nan 0.000 0.267 235 P C -0.077 177.402 177.300 0.299 0.000 1.201 235 P CA 0.201 63.479 63.100 0.296 0.000 0.775 235 P CB 0.453 32.330 31.700 0.295 0.000 0.854 236 T N 1.290 115.920 114.554 0.126 0.000 2.946 236 T HA 0.159 4.510 4.350 0.000 0.000 0.311 236 T C 0.307 174.844 174.700 -0.271 0.000 1.063 236 T CA 0.064 62.093 62.100 -0.118 0.000 1.139 236 T CB 0.015 68.775 68.868 -0.179 0.000 0.994 236 T HN 0.129 nan 8.240 nan 0.000 0.547 237 V N 4.432 123.902 119.914 -0.740 0.000 2.459 237 V HA 0.600 4.720 4.120 0.000 0.000 0.295 237 V C -0.656 174.919 176.094 -0.864 0.000 1.029 237 V CA -0.785 61.034 62.300 -0.802 0.000 0.874 237 V CB 1.042 31.958 31.823 -1.511 0.000 0.985 237 V HN 0.689 nan 8.190 nan 0.000 0.438 238 F N 0.560 120.314 119.950 -0.326 0.000 2.579 238 F HA 0.583 5.111 4.527 0.000 0.000 0.324 238 F C 0.755 176.471 175.800 -0.140 0.000 1.058 238 F CA -0.931 56.948 58.000 -0.203 0.000 0.944 238 F CB 1.476 40.395 39.000 -0.136 0.000 1.245 238 F HN 0.298 nan 8.300 nan 0.000 0.477 239 T N 1.340 115.948 114.554 0.089 0.000 2.907 239 T HA 0.180 4.530 4.350 0.000 0.000 0.298 239 T C 0.228 175.005 174.700 0.127 0.000 1.017 239 T CA -0.437 61.696 62.100 0.056 0.000 1.118 239 T CB 0.336 69.159 68.868 -0.075 0.000 0.948 239 T HN 0.404 nan 8.240 nan 0.000 0.531 240 R N 3.248 123.855 120.500 0.178 0.000 2.248 240 R HA 0.201 4.541 4.340 0.000 0.000 0.337 240 R C 1.122 177.561 176.300 0.231 0.000 1.085 240 R CA -0.281 55.912 56.100 0.156 0.000 0.934 240 R CB -0.015 30.339 30.300 0.090 0.000 1.034 240 R HN 0.517 nan 8.270 nan 0.000 0.465 241 V N 2.791 122.797 119.914 0.153 0.000 2.282 241 V HA -0.318 3.802 4.120 0.000 0.000 0.249 241 V C 2.249 178.423 176.094 0.134 0.000 1.057 241 V CA 2.380 64.771 62.300 0.151 0.000 1.032 241 V CB -0.539 31.302 31.823 0.029 0.000 0.645 241 V HN 0.922 nan 8.190 nan 0.000 0.447 242 S N 0.932 116.656 115.700 0.040 0.000 2.493 242 S HA -0.098 4.372 4.470 0.000 0.000 0.243 242 S C 1.708 176.296 174.600 -0.020 0.000 0.991 242 S CA 1.264 59.465 58.200 0.001 0.000 0.957 242 S CB -0.424 62.774 63.200 -0.004 0.000 0.756 242 S HN 0.635 nan 8.310 nan 0.000 0.521 243 A N -0.555 122.238 122.820 -0.044 0.000 2.275 243 A HA 0.435 4.756 4.320 0.000 0.000 0.212 243 A C 0.881 178.155 177.584 -0.517 0.000 1.201 243 A CA -0.058 51.804 52.037 -0.291 0.000 0.843 243 A CB -0.251 18.495 19.000 -0.422 0.000 0.873 243 A HN 0.642 nan 8.150 nan 0.000 0.492 244 Y N -1.113 119.229 120.300 0.070 0.000 2.675 244 Y HA 0.251 4.801 4.550 0.000 0.000 0.248 244 Y C 1.533 177.552 175.900 0.199 0.000 1.161 244 Y CA -0.931 57.277 58.100 0.180 0.000 1.203 244 Y CB 0.286 38.889 38.460 0.239 0.000 1.262 244 Y HN 0.117 nan 8.280 nan 0.000 0.544 245 I N -0.274 120.402 120.570 0.176 0.000 2.145 245 I HA -0.379 3.791 4.170 0.000 0.000 0.244 245 I C 2.540 178.704 176.117 0.077 0.000 1.075 245 I CA 1.833 63.191 61.300 0.097 0.000 1.332 245 I CB -1.307 36.711 38.000 0.030 0.000 1.033 245 I HN 0.263 nan 8.210 nan 0.000 0.410 246 S N 0.010 115.760 115.700 0.083 0.000 2.353 246 S HA -0.271 4.200 4.470 0.000 0.000 0.222 246 S C 1.956 176.613 174.600 0.096 0.000 1.035 246 S CA 1.805 60.042 58.200 0.062 0.000 1.025 246 S CB -0.635 62.602 63.200 0.060 0.000 0.902 246 S HN 0.534 nan 8.310 nan 0.000 0.440 247 W N 1.834 123.155 121.300 0.036 0.000 2.335 247 W HA -0.100 4.560 4.660 0.000 0.000 0.311 247 W C 1.816 178.327 176.519 -0.014 0.000 1.213 247 W CA 1.721 59.091 57.345 0.042 0.000 1.274 247 W CB -0.721 28.846 29.460 0.177 0.000 1.148 247 W HN 0.346 nan 8.180 nan 0.000 0.498 248 I N 1.146 121.660 120.570 -0.093 0.000 2.118 248 I HA -0.438 3.733 4.170 0.000 0.000 0.241 248 I C 2.301 178.136 176.117 -0.470 0.000 1.070 248 I CA 1.873 62.923 61.300 -0.416 0.000 1.327 248 I CB -0.901 37.029 38.000 -0.117 0.000 1.034 248 I HN 0.075 nan 8.210 nan 0.000 0.405 249 N N 1.020 119.560 118.700 -0.267 0.000 2.120 249 N HA -0.166 4.574 4.740 0.000 0.000 0.188 249 N C 1.554 176.892 175.510 -0.286 0.000 1.024 249 N CA 1.266 54.167 53.050 -0.249 0.000 0.852 249 N CB -0.661 37.743 38.487 -0.137 0.000 1.003 249 N HN 0.424 nan 8.380 nan 0.000 0.424 250 N N 0.880 119.417 118.700 -0.271 0.000 2.120 250 N HA -0.084 4.656 4.740 0.000 0.000 0.188 250 N C 1.888 177.194 175.510 -0.340 0.000 1.024 250 N CA 0.644 53.550 53.050 -0.240 0.000 0.852 250 N CB -0.423 37.967 38.487 -0.163 0.000 1.003 250 N HN 0.053 nan 8.380 nan 0.000 0.424 251 V N 1.784 121.349 119.914 -0.582 0.000 2.407 251 V HA -0.144 3.976 4.120 0.000 0.000 0.248 251 V C 2.245 177.964 176.094 -0.625 0.000 1.055 251 V CA 1.128 63.044 62.300 -0.640 0.000 1.049 251 V CB -0.318 30.888 31.823 -1.028 0.000 0.662 251 V HN 0.225 nan 8.190 nan 0.000 0.455 252 I N 0.171 120.285 120.570 -0.760 0.000 2.286 252 I HA -0.132 4.038 4.170 0.000 0.000 0.245 252 I C 2.639 178.603 176.117 -0.256 0.000 1.104 252 I CA 1.204 62.044 61.300 -0.767 0.000 1.397 252 I CB -0.542 36.981 38.000 -0.794 0.000 1.072 252 I HN 0.266 nan 8.210 nan 0.000 0.417 253 A N 0.757 123.447 122.820 -0.218 0.000 1.877 253 A HA -0.178 4.142 4.320 0.000 0.000 0.216 253 A C 2.195 179.751 177.584 -0.047 0.000 1.186 253 A CA 1.982 53.958 52.037 -0.101 0.000 0.620 253 A CB -0.710 18.229 19.000 -0.102 0.000 0.822 253 A HN 0.492 nan 8.150 nan 0.000 0.443 254 S N -0.685 114.977 115.700 -0.064 0.000 2.685 254 S HA 0.275 4.745 4.470 0.000 0.000 0.240 254 S C 0.217 174.837 174.600 0.033 0.000 0.967 254 S CA -0.588 57.602 58.200 -0.017 0.000 1.009 254 S CB -0.409 62.773 63.200 -0.029 0.000 0.776 254 S HN 0.483 nan 8.310 nan 0.000 0.467 255 N N 0.000 118.754 118.700 0.090 0.000 1.763 255 N HA 0.000 4.740 4.740 0.000 0.000 0.220 255 N CA 0.000 53.172 53.050 0.203 0.000 0.885 255 N CB 0.000 38.697 38.487 0.349 0.000 1.341 255 N HN 0.000 nan 8.380 nan 0.000 0.667