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 2ikc_1_A DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVKcDENSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLAVPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SSEHSKVQcE EYcIQGDNcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLARDQI NSVTSFLDAS LVYGSEPSLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYPPFN NMKPSPcEFI NTTARVPcFQ DATA SEQUENCE AGDSRASEQI LLATVHTLLL REHNRLAREL KRLNPHWDGE KLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPRYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPRGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKKSKLMNQN KMVTSELRNK LFQPTHKIHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQAV LKNKILAKKL LDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS AIDKLDLSPW ASREN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.703 174.600 0.172 0.000 1.055 1 S CA 0.000 58.225 58.200 0.042 0.000 1.107 1 S CB 0.000 63.239 63.200 0.065 0.000 0.593 2 W N 3.293 124.612 121.300 0.032 0.000 2.391 2 W HA 0.656 4.676 4.660 -1.067 0.000 0.312 2 W C 0.248 176.785 176.519 0.030 0.000 1.003 2 W CA -0.581 56.784 57.345 0.032 0.000 1.375 2 W CB 0.725 30.201 29.460 0.027 0.000 1.253 2 W HN 0.574 nan 8.180 nan 0.000 0.416 3 E N 0.778 121.108 120.200 0.217 0.000 2.439 3 E HA 0.308 4.019 4.350 -1.065 0.000 0.279 3 E C -0.787 175.868 176.600 0.092 0.000 1.077 3 E CA -0.620 55.856 56.400 0.127 0.000 0.849 3 E CB 2.752 32.517 29.700 0.110 0.000 1.408 3 E HN -0.030 nan 8.360 nan 0.000 0.457 4 V N -0.599 119.355 119.914 0.066 0.000 3.385 4 V HA 0.842 4.322 4.120 -1.065 0.000 0.301 4 V C 0.653 176.781 176.094 0.057 0.000 1.082 4 V CA 0.167 62.499 62.300 0.052 0.000 1.085 4 V CB 0.901 32.748 31.823 0.040 0.000 1.152 4 V HN 0.802 nan 8.190 nan 0.000 0.465 5 G N -1.703 107.127 108.800 0.050 0.000 2.523 5 G HA2 0.380 3.701 3.960 -1.065 0.000 0.291 5 G HA3 0.380 3.701 3.960 -1.065 0.000 0.291 5 G C -1.033 173.895 174.900 0.047 0.000 1.450 5 G CA -0.599 44.533 45.100 0.053 0.000 0.790 5 G HN 0.908 nan 8.290 nan 0.000 0.496 6 c N 0.779 119.409 118.600 0.050 0.000 2.409 6 c HA 0.433 4.364 4.570 -1.065 0.000 0.399 6 c C 1.507 175.619 174.090 0.036 0.000 1.505 6 c CA 0.482 56.838 56.329 0.044 0.000 1.435 6 c CB -0.973 41.568 42.510 0.051 0.000 2.462 6 c HN 0.952 nan 8.230 nan 0.000 0.619 7 G N 3.205 112.022 108.800 0.029 0.000 2.922 7 G HA2 0.546 3.867 3.960 -1.065 0.000 0.335 7 G HA3 0.546 3.867 3.960 -1.065 0.000 0.335 7 G C 0.225 175.133 174.900 0.013 0.000 1.016 7 G CA 0.167 45.281 45.100 0.023 0.000 1.306 7 G HN 1.084 nan 8.290 nan 0.000 0.465 8 A N 3.563 126.386 122.820 0.007 0.000 2.274 8 A HA 0.820 4.501 4.320 -1.065 0.000 0.297 8 A C -1.950 175.624 177.584 -0.015 0.000 1.191 8 A CA -1.316 50.714 52.037 -0.012 0.000 0.889 8 A CB 0.110 19.094 19.000 -0.027 0.000 1.294 8 A HN 0.403 nan 8.150 nan 0.000 0.506 9 P HA 0.186 nan 4.420 nan 0.000 0.243 9 P C -0.954 176.336 177.300 -0.016 0.000 1.134 9 P CA 0.612 63.696 63.100 -0.026 0.000 1.109 9 P CB -0.617 31.058 31.700 -0.042 0.000 1.140 10 V N 2.192 122.105 119.914 -0.003 0.000 2.656 10 V HA 0.587 4.068 4.120 -1.065 0.000 0.307 10 V C -2.487 173.615 176.094 0.012 0.000 1.051 10 V CA -3.038 59.266 62.300 0.006 0.000 0.893 10 V CB 1.568 33.402 31.823 0.018 0.000 0.999 10 V HN 0.115 nan 8.190 nan 0.000 0.426 11 P HA 0.269 nan 4.420 nan 0.000 0.262 11 P C -0.727 176.589 177.300 0.027 0.000 1.199 11 P CA 0.189 63.301 63.100 0.019 0.000 0.763 11 P CB 0.436 32.151 31.700 0.024 0.000 0.790 12 L N 5.643 126.879 121.223 0.023 0.000 2.307 12 L HA 0.569 4.270 4.340 -1.065 0.000 0.282 12 L C -0.315 176.572 176.870 0.028 0.000 1.051 12 L CA -0.332 54.524 54.840 0.026 0.000 0.804 12 L CB 1.223 43.294 42.059 0.021 0.000 1.197 12 L HN 0.233 nan 8.230 nan 0.000 0.431 13 V N 1.125 121.059 119.914 0.033 0.000 3.181 13 V HA 0.612 4.093 4.120 -1.065 0.000 0.308 13 V C -0.974 175.141 176.094 0.033 0.000 1.214 13 V CA -1.221 61.098 62.300 0.033 0.000 1.053 13 V CB 1.766 33.612 31.823 0.038 0.000 1.069 13 V HN 0.675 nan 8.190 nan 0.000 0.441 14 K N 0.669 121.087 120.400 0.030 0.000 2.213 14 K HA 0.595 4.276 4.320 -1.065 0.000 0.270 14 K C -0.843 175.777 176.600 0.033 0.000 1.002 14 K CA -0.291 56.014 56.287 0.029 0.000 0.868 14 K CB 1.045 33.559 32.500 0.022 0.000 1.093 14 K HN 0.955 nan 8.250 nan 0.000 0.454 15 c N 4.613 123.235 118.600 0.036 0.000 2.619 15 c HA 0.018 3.949 4.570 -1.065 0.000 0.389 15 c C 1.738 175.847 174.090 0.032 0.000 1.314 15 c CA -0.594 55.760 56.329 0.041 0.000 1.678 15 c CB -0.456 42.083 42.510 0.048 0.000 2.398 15 c HN 0.964 nan 8.230 nan 0.000 0.582 16 D N 1.510 121.929 120.400 0.031 0.000 2.088 16 D HA -0.153 3.848 4.640 -1.065 0.000 0.191 16 D C 1.524 177.834 176.300 0.017 0.000 0.992 16 D CA 2.202 56.214 54.000 0.020 0.000 0.831 16 D CB 0.191 41.002 40.800 0.017 0.000 0.973 16 D HN 0.850 nan 8.370 nan 0.000 0.447 17 E N -1.697 118.518 120.200 0.025 0.000 4.304 17 E HA -0.158 3.553 4.350 -1.065 0.000 0.400 17 E C -0.416 176.184 176.600 -0.000 0.000 0.572 17 E CA 1.019 57.431 56.400 0.019 0.000 1.465 17 E CB -1.672 28.036 29.700 0.014 0.000 1.881 17 E HN 0.341 nan 8.360 nan 0.000 0.353 18 N N -0.522 118.170 118.700 -0.012 0.000 2.301 18 N HA 0.170 4.271 4.740 -1.065 0.000 0.247 18 N C -1.524 173.944 175.510 -0.071 0.000 1.347 18 N CA 0.470 53.496 53.050 -0.040 0.000 0.844 18 N CB 1.575 40.038 38.487 -0.040 0.000 1.332 18 N HN 0.125 nan 8.380 nan 0.000 0.494 19 S N 0.978 116.646 115.700 -0.053 0.000 2.489 19 S HA 0.333 4.164 4.470 -1.065 0.000 0.277 19 S C -1.830 172.681 174.600 -0.147 0.000 1.230 19 S CA -1.202 56.925 58.200 -0.122 0.000 1.053 19 S CB 0.817 63.991 63.200 -0.044 0.000 0.955 19 S HN -0.008 nan 8.310 nan 0.000 0.488 20 P HA 0.126 nan 4.420 nan 0.000 0.247 20 P C -1.050 176.154 177.300 -0.159 0.000 1.225 20 P CA 0.483 63.378 63.100 -0.341 0.000 0.768 20 P CB -0.113 31.245 31.700 -0.569 0.000 1.020 21 Y N -0.394 119.909 120.300 0.006 0.000 2.377 21 Y HA 0.414 4.325 4.550 -1.065 0.000 0.339 21 Y C 1.154 176.807 175.900 -0.411 0.000 1.011 21 Y CA -2.083 55.904 58.100 -0.189 0.000 1.093 21 Y CB 0.855 39.217 38.460 -0.164 0.000 1.201 21 Y HN -0.310 nan 8.280 nan 0.000 0.455 22 R N 0.744 120.894 120.500 -0.582 0.000 2.679 22 R HA 0.195 3.896 4.340 -1.065 0.000 0.268 22 R C 0.312 176.435 176.300 -0.296 0.000 1.044 22 R CA 0.058 55.693 56.100 -0.775 0.000 1.105 22 R CB 0.347 30.247 30.300 -0.666 0.000 0.989 22 R HN 0.815 nan 8.270 nan 0.000 0.447 23 T N -0.882 113.560 114.554 -0.186 0.000 2.904 23 T HA 0.170 3.881 4.350 -1.065 0.000 0.290 23 T C 1.564 176.245 174.700 -0.033 0.000 1.018 23 T CA -0.713 61.355 62.100 -0.054 0.000 1.075 23 T CB 0.766 69.638 68.868 0.008 0.000 0.986 23 T HN 0.517 nan 8.240 nan 0.000 0.523 24 I N 1.285 121.866 120.570 0.017 0.000 2.423 24 I HA -0.162 3.369 4.170 -1.065 0.000 0.254 24 I C 2.655 178.823 176.117 0.085 0.000 1.151 24 I CA 1.284 62.621 61.300 0.061 0.000 1.421 24 I CB -0.233 37.828 38.000 0.101 0.000 1.079 24 I HN 0.803 nan 8.210 nan 0.000 0.431 25 T N -0.573 114.029 114.554 0.080 0.000 3.085 25 T HA 0.048 3.759 4.350 -1.065 0.000 0.263 25 T C 1.400 176.177 174.700 0.128 0.000 1.127 25 T CA 1.081 63.237 62.100 0.094 0.000 1.103 25 T CB -0.002 68.913 68.868 0.078 0.000 0.921 25 T HN 0.697 nan 8.240 nan 0.000 0.510 26 G N 1.241 110.122 108.800 0.135 0.000 2.217 26 G HA2 -0.200 3.121 3.960 -1.065 0.000 0.246 26 G HA3 -0.200 3.121 3.960 -1.065 0.000 0.246 26 G C -0.054 174.980 174.900 0.223 0.000 0.990 26 G CA 0.034 45.271 45.100 0.229 0.000 0.627 26 G HN 0.464 nan 8.290 nan 0.000 0.522 27 D N -0.611 119.880 120.400 0.152 0.000 2.400 27 D HA 0.397 4.398 4.640 -1.065 0.000 0.238 27 D C 1.489 177.858 176.300 0.115 0.000 1.157 27 D CA 0.977 55.059 54.000 0.137 0.000 0.889 27 D CB 0.912 41.771 40.800 0.098 0.000 1.199 27 D HN 0.758 nan 8.370 nan 0.000 0.436 28 c N 0.788 119.463 118.600 0.125 0.000 5.102 28 c HA -0.193 3.738 4.570 -1.065 0.000 0.236 28 c C 2.127 176.298 174.090 0.135 0.000 1.316 28 c CA 0.270 56.667 56.329 0.114 0.000 1.394 28 c CB -2.270 40.296 42.510 0.092 0.000 1.902 28 c HN 0.851 nan 8.230 nan 0.000 0.644 29 N N 2.280 121.060 118.700 0.133 0.000 2.043 29 N HA -0.152 3.949 4.740 -1.065 0.000 0.193 29 N C 0.400 175.982 175.510 0.120 0.000 1.037 29 N CA 1.996 55.102 53.050 0.093 0.000 0.851 29 N CB -0.311 38.054 38.487 -0.203 0.000 1.027 29 N HN 0.776 nan 8.380 nan 0.000 0.422 30 N N 0.858 119.676 118.700 0.196 0.000 2.458 30 N HA 0.051 4.152 4.740 -1.065 0.000 0.270 30 N C 0.804 176.411 175.510 0.161 0.000 1.102 30 N CA 0.003 53.189 53.050 0.226 0.000 0.967 30 N CB 1.023 39.667 38.487 0.260 0.000 1.078 30 N HN 0.157 nan 8.380 nan 0.000 0.471 31 R N 2.843 123.432 120.500 0.148 0.000 2.064 31 R HA 0.070 3.771 4.340 -1.065 0.000 0.228 31 R C 1.968 178.316 176.300 0.079 0.000 1.144 31 R CA 1.376 57.535 56.100 0.099 0.000 0.932 31 R CB -0.020 30.333 30.300 0.088 0.000 0.833 31 R HN 0.570 nan 8.270 nan 0.000 0.429 32 R N -0.683 119.862 120.500 0.075 0.000 2.096 32 R HA -0.002 3.699 4.340 -1.065 0.000 0.235 32 R C 0.224 176.552 176.300 0.047 0.000 1.127 32 R CA 1.038 57.166 56.100 0.046 0.000 0.968 32 R CB 0.023 30.343 30.300 0.034 0.000 0.861 32 R HN -0.005 nan 8.270 nan 0.000 0.440 33 S N -0.558 115.189 115.700 0.078 0.000 2.733 33 S HA 0.297 4.128 4.470 -1.065 0.000 0.307 33 S C -2.188 172.480 174.600 0.114 0.000 1.127 33 S CA -1.965 56.283 58.200 0.082 0.000 1.097 33 S CB 1.557 64.812 63.200 0.092 0.000 1.003 33 S HN -0.124 nan 8.310 nan 0.000 0.477 34 P HA -0.059 nan 4.420 nan 0.000 0.210 34 P C 1.545 178.929 177.300 0.141 0.000 1.189 34 P CA 1.686 64.854 63.100 0.113 0.000 0.920 34 P CB 0.019 31.770 31.700 0.084 0.000 0.782 35 A N -0.571 122.320 122.820 0.119 0.000 1.997 35 A HA -0.185 3.496 4.320 -1.065 0.000 0.221 35 A C 1.071 178.750 177.584 0.159 0.000 1.172 35 A CA 0.846 52.958 52.037 0.125 0.000 0.645 35 A CB -1.818 17.238 19.000 0.094 0.000 0.813 35 A HN 0.171 nan 8.150 nan 0.000 0.454 36 L N 0.225 121.550 121.223 0.170 0.000 2.771 36 L HA 0.211 3.912 4.340 -1.065 0.000 0.278 36 L C 1.448 178.464 176.870 0.244 0.000 1.175 36 L CA 1.610 56.565 54.840 0.191 0.000 0.973 36 L CB -0.839 41.347 42.059 0.212 0.000 1.286 36 L HN 0.844 nan 8.230 nan 0.000 0.481 37 G N 2.483 111.347 108.800 0.105 0.000 2.175 37 G HA2 -0.165 3.156 3.960 -1.065 0.000 0.244 37 G HA3 -0.165 3.156 3.960 -1.065 0.000 0.244 37 G C 0.493 175.443 174.900 0.083 0.000 0.982 37 G CA 0.206 45.256 45.100 -0.083 0.000 0.641 37 G HN 1.132 nan 8.290 nan 0.000 0.527 38 A N 0.078 122.994 122.820 0.161 0.000 2.346 38 A HA 0.863 4.544 4.320 -1.065 0.000 0.252 38 A C 0.981 178.625 177.584 0.101 0.000 1.089 38 A CA 0.971 53.103 52.037 0.158 0.000 0.797 38 A CB 0.470 19.553 19.000 0.138 0.000 1.047 38 A HN 2.070 nan 8.150 nan 0.000 0.494 39 A N 0.762 123.643 122.820 0.102 0.000 2.322 39 A HA 0.535 4.216 4.320 -1.065 0.000 0.269 39 A C 0.694 178.312 177.584 0.056 0.000 1.094 39 A CA -0.088 51.996 52.037 0.079 0.000 0.807 39 A CB -0.133 18.919 19.000 0.087 0.000 1.047 39 A HN 1.193 nan 8.150 nan 0.000 0.487 40 N N -0.537 118.186 118.700 0.038 0.000 2.815 40 N HA -0.109 3.992 4.740 -1.065 0.000 0.249 40 N C -0.551 174.970 175.510 0.018 0.000 1.114 40 N CA 0.819 53.877 53.050 0.013 0.000 0.717 40 N CB -0.616 37.874 38.487 0.005 0.000 1.074 40 N HN 0.639 nan 8.380 nan 0.000 0.555 41 R N 0.318 120.838 120.500 0.033 0.000 2.902 41 R HA 0.791 4.492 4.340 -1.065 0.000 0.258 41 R C 0.019 176.346 176.300 0.045 0.000 1.071 41 R CA -0.667 55.458 56.100 0.041 0.000 1.024 41 R CB 0.950 31.282 30.300 0.054 0.000 1.184 41 R HN 0.145 nan 8.270 nan 0.000 0.492 42 A N 1.618 124.471 122.820 0.055 0.000 2.293 42 A HA 0.446 4.126 4.320 -1.065 0.000 0.312 42 A C -0.240 177.390 177.584 0.076 0.000 1.309 42 A CA -0.691 51.386 52.037 0.066 0.000 0.839 42 A CB 0.036 19.081 19.000 0.075 0.000 1.155 42 A HN 0.730 nan 8.150 nan 0.000 0.501 43 L N 0.918 122.183 121.223 0.069 0.000 3.893 43 L HA -0.272 3.429 4.340 -1.065 0.000 0.547 43 L C 1.279 178.175 176.870 0.043 0.000 1.000 43 L CA 0.445 55.317 54.840 0.053 0.000 0.988 43 L CB -0.994 41.113 42.059 0.081 0.000 0.738 43 L HN 1.046 nan 8.230 nan 0.000 0.831 44 A N 5.611 128.452 122.820 0.036 0.000 2.616 44 A HA -0.019 3.662 4.320 -1.065 0.000 0.242 44 A C 0.652 178.226 177.584 -0.018 0.000 0.987 44 A CA 0.611 52.683 52.037 0.058 0.000 0.800 44 A CB 0.021 19.102 19.000 0.136 0.000 0.883 44 A HN 0.593 nan 8.150 nan 0.000 0.496 45 R N 2.037 122.592 120.500 0.092 0.000 2.387 45 R HA 0.232 3.933 4.340 -1.065 0.000 0.314 45 R C -0.346 176.122 176.300 0.280 0.000 0.958 45 R CA -0.432 55.723 56.100 0.091 0.000 0.846 45 R CB 1.073 31.437 30.300 0.107 0.000 1.147 45 R HN 0.950 nan 8.270 nan 0.000 0.447 46 W N 2.219 123.543 121.300 0.041 0.000 3.013 46 W HA 0.300 4.325 4.660 -1.058 0.000 0.280 46 W C 0.353 176.796 176.519 -0.126 0.000 1.249 46 W CA 0.065 57.385 57.345 -0.042 0.000 1.577 46 W CB 0.174 29.541 29.460 -0.155 0.000 1.057 46 W HN 0.265 nan 8.180 nan 0.000 0.613 47 L N -0.353 120.921 121.223 0.084 0.000 2.403 47 L HA 0.422 4.123 4.340 -1.065 0.000 0.253 47 L C -2.151 174.688 176.870 -0.052 0.000 1.045 47 L CA -2.016 52.762 54.840 -0.104 0.000 0.845 47 L CB 1.653 43.430 42.059 -0.469 0.000 1.447 47 L HN -0.564 nan 8.230 nan 0.000 0.411 48 P HA 0.099 nan 4.420 nan 0.000 0.266 48 P C -0.826 176.437 177.300 -0.061 0.000 1.195 48 P CA -0.111 62.960 63.100 -0.047 0.000 0.768 48 P CB 0.644 32.313 31.700 -0.051 0.000 0.838 49 A N 3.096 125.891 122.820 -0.042 0.000 2.440 49 A HA 0.132 3.813 4.320 -1.065 0.000 0.251 49 A C 0.176 177.666 177.584 -0.156 0.000 1.089 49 A CA -0.089 51.867 52.037 -0.134 0.000 0.779 49 A CB -0.096 18.836 19.000 -0.113 0.000 1.022 49 A HN 0.525 nan 8.150 nan 0.000 0.492 50 E N 1.202 121.263 120.200 -0.231 0.000 2.133 50 E HA 0.496 4.207 4.350 -1.065 0.000 0.274 50 E C -1.644 174.814 176.600 -0.237 0.000 0.930 50 E CA -0.043 56.313 56.400 -0.072 0.000 0.770 50 E CB 1.251 30.982 29.700 0.052 0.000 1.104 50 E HN 0.639 nan 8.360 nan 0.000 0.403 51 Y N 0.324 120.603 120.300 -0.035 0.000 2.609 51 Y HA 0.097 4.008 4.550 -1.066 0.000 0.342 51 Y C 1.301 176.759 175.900 -0.737 0.000 1.058 51 Y CA -0.910 56.986 58.100 -0.340 0.000 1.055 51 Y CB 1.425 39.712 38.460 -0.290 0.000 1.292 51 Y HN 0.498 nan 8.280 nan 0.000 0.476 52 E N 0.443 120.082 120.200 -0.936 0.000 2.106 52 E HA -0.167 3.544 4.350 -1.065 0.000 0.192 52 E C 0.242 176.615 176.600 -0.377 0.000 0.984 52 E CA 1.595 57.388 56.400 -1.011 0.000 0.806 52 E CB 0.131 29.375 29.700 -0.759 0.000 0.750 52 E HN 0.755 nan 8.360 nan 0.000 0.458 53 D N -1.414 118.813 120.400 -0.289 0.000 2.525 53 D HA 0.091 4.092 4.640 -1.065 0.000 0.229 53 D C 0.967 177.194 176.300 -0.122 0.000 1.202 53 D CA 0.410 54.301 54.000 -0.181 0.000 0.828 53 D CB 0.176 40.851 40.800 -0.208 0.000 1.008 53 D HN 0.271 nan 8.370 nan 0.000 0.493 54 G N 0.403 109.159 108.800 -0.073 0.000 2.200 54 G HA2 -0.330 2.990 3.960 -1.065 0.000 0.268 54 G HA3 -0.330 2.990 3.960 -1.065 0.000 0.268 54 G C 0.688 175.607 174.900 0.033 0.000 0.986 54 G CA 1.118 46.222 45.100 0.007 0.000 0.677 54 G HN 0.496 nan 8.290 nan 0.000 0.532 55 L N -3.420 117.772 121.223 -0.051 0.000 2.718 55 L HA 0.587 4.288 4.340 -1.065 0.000 0.247 55 L C 1.965 178.479 176.870 -0.593 0.000 1.028 55 L CA 0.961 55.714 54.840 -0.145 0.000 1.031 55 L CB 0.050 42.003 42.059 -0.176 0.000 1.910 55 L HN 0.503 nan 8.230 nan 0.000 0.526 56 A N -0.378 121.909 122.820 -0.889 0.000 2.679 56 A HA 0.284 3.965 4.320 -1.065 0.000 0.168 56 A C 0.110 177.013 177.584 -1.134 0.000 1.561 56 A CA 0.343 51.538 52.037 -1.404 0.000 1.139 56 A CB 0.256 18.717 19.000 -0.898 0.000 1.395 56 A HN -0.019 nan 8.150 nan 0.000 0.483 57 V N -0.566 118.858 119.914 -0.817 0.000 2.432 57 V HA 0.551 4.032 4.120 -1.065 0.000 0.271 57 V C -2.922 172.814 176.094 -0.597 0.000 1.046 57 V CA -2.359 59.415 62.300 -0.876 0.000 0.945 57 V CB 0.492 31.758 31.823 -0.928 0.000 0.992 57 V HN 0.086 nan 8.190 nan 0.000 0.471 58 P HA 0.057 nan 4.420 nan 0.000 0.264 58 P C -0.390 176.811 177.300 -0.164 0.000 1.179 58 P CA 0.412 63.353 63.100 -0.265 0.000 0.763 58 P CB 0.109 31.547 31.700 -0.436 0.000 0.806 59 F N 2.206 122.185 119.950 0.048 0.000 2.533 59 F HA 0.304 4.190 4.527 -1.067 0.000 0.378 59 F C 1.709 177.593 175.800 0.140 0.000 1.070 59 F CA 1.547 59.599 58.000 0.086 0.000 1.172 59 F CB -0.256 38.801 39.000 0.095 0.000 1.085 59 F HN 0.584 nan 8.300 nan 0.000 0.552 60 G N 3.718 112.724 108.800 0.342 0.000 2.145 60 G HA2 -0.253 3.068 3.960 -1.065 0.000 0.145 60 G HA3 -0.253 3.068 3.960 -1.065 0.000 0.145 60 G C 0.315 175.427 174.900 0.354 0.000 1.017 60 G CA -0.020 45.277 45.100 0.327 0.000 0.682 60 G HN 0.773 nan 8.290 nan 0.000 0.504 61 W N 1.114 122.415 121.300 0.002 0.000 2.893 61 W HA 0.356 4.376 4.660 -1.067 0.000 0.253 61 W C -0.142 176.368 176.519 -0.016 0.000 1.171 61 W CA 1.272 58.584 57.345 -0.055 0.000 1.480 61 W CB -0.040 29.176 29.460 -0.406 0.000 0.963 61 W HN 0.119 nan 8.180 nan 0.000 0.637 62 T N 4.479 119.291 114.554 0.430 0.000 2.761 62 T HA 0.072 3.783 4.350 -1.065 0.000 0.296 62 T C 0.784 175.561 174.700 0.128 0.000 0.934 62 T CA -0.080 62.168 62.100 0.247 0.000 1.091 62 T CB 1.181 70.195 68.868 0.243 0.000 0.896 62 T HN -0.026 nan 8.240 nan 0.000 0.515 63 Q N 2.616 122.445 119.800 0.049 0.000 2.425 63 Q HA -0.018 3.683 4.340 -1.065 0.000 0.213 63 Q C 1.135 177.168 176.000 0.056 0.000 0.950 63 Q CA 0.402 56.231 55.803 0.045 0.000 0.979 63 Q CB -0.032 28.706 28.738 0.001 0.000 0.997 63 Q HN 0.697 nan 8.270 nan 0.000 0.509 64 R N -2.704 117.841 120.500 0.075 0.000 2.570 64 R HA 0.181 3.882 4.340 -1.065 0.000 0.203 64 R C 0.107 176.455 176.300 0.080 0.000 0.968 64 R CA -0.090 56.050 56.100 0.067 0.000 1.514 64 R CB 0.015 30.343 30.300 0.047 0.000 1.719 64 R HN -0.148 nan 8.270 nan 0.000 0.503 65 K N 1.573 122.031 120.400 0.098 0.000 2.168 65 K HA 0.337 4.018 4.320 -1.065 0.000 0.258 65 K C 0.066 176.758 176.600 0.154 0.000 1.010 65 K CA 0.393 56.746 56.287 0.111 0.000 0.929 65 K CB 1.021 33.586 32.500 0.109 0.000 0.998 65 K HN 0.315 nan 8.250 nan 0.000 0.479 66 T N -1.471 113.177 114.554 0.156 0.000 2.804 66 T HA 0.414 4.125 4.350 -1.065 0.000 0.272 66 T C -0.526 174.297 174.700 0.205 0.000 0.986 66 T CA -0.998 61.199 62.100 0.161 0.000 0.999 66 T CB 1.372 70.282 68.868 0.071 0.000 1.307 66 T HN 0.517 nan 8.240 nan 0.000 0.586 67 R N 0.547 121.085 120.500 0.064 0.000 2.439 67 R HA 0.345 4.046 4.340 -1.065 0.000 0.310 67 R C -0.274 175.969 176.300 -0.095 0.000 0.955 67 R CA -0.432 55.567 56.100 -0.169 0.000 0.853 67 R CB 0.343 30.374 30.300 -0.449 0.000 1.171 67 R HN 0.840 nan 8.270 nan 0.000 0.449 68 N N 2.700 121.337 118.700 -0.104 0.000 2.661 68 N HA -0.237 3.864 4.740 -1.065 0.000 0.249 68 N C 0.492 175.840 175.510 -0.270 0.000 1.142 68 N CA 1.705 54.686 53.050 -0.115 0.000 0.727 68 N CB -0.783 37.673 38.487 -0.053 0.000 1.099 68 N HN 1.080 nan 8.380 nan 0.000 0.558 69 G N -1.887 106.750 108.800 -0.272 0.000 2.157 69 G HA2 -0.275 3.046 3.960 -1.065 0.000 0.239 69 G HA3 -0.275 3.046 3.960 -1.065 0.000 0.239 69 G C -0.131 174.389 174.900 -0.633 0.000 0.982 69 G CA 0.238 45.052 45.100 -0.477 0.000 0.650 69 G HN 0.417 nan 8.290 nan 0.000 0.527 70 F N -0.672 119.294 119.950 0.027 0.000 2.576 70 F HA 0.685 4.573 4.527 -1.066 0.000 0.313 70 F C 0.642 176.470 175.800 0.046 0.000 1.078 70 F CA -1.415 56.605 58.000 0.034 0.000 0.921 70 F CB 1.513 40.534 39.000 0.035 0.000 1.232 70 F HN -0.042 nan 8.300 nan 0.000 0.459 71 R N 1.330 121.994 120.500 0.273 0.000 2.537 71 R HA 0.340 4.041 4.340 -1.065 0.000 0.280 71 R C -0.745 175.643 176.300 0.147 0.000 1.058 71 R CA -0.284 55.918 56.100 0.171 0.000 1.057 71 R CB 0.834 31.208 30.300 0.123 0.000 0.973 71 R HN 0.494 nan 8.270 nan 0.000 0.438 72 V N 3.541 123.544 119.914 0.148 0.000 2.546 72 V HA 0.473 3.954 4.120 -1.065 0.000 0.284 72 V C -2.106 174.022 176.094 0.056 0.000 1.050 72 V CA -2.052 60.328 62.300 0.134 0.000 0.981 72 V CB 1.123 33.068 31.823 0.203 0.000 0.990 72 V HN 0.662 nan 8.190 nan 0.000 0.474 73 P HA 0.244 nan 4.420 nan 0.000 0.266 73 P C -0.062 177.212 177.300 -0.043 0.000 1.195 73 P CA -0.002 63.015 63.100 -0.139 0.000 0.768 73 P CB 0.358 31.812 31.700 -0.410 0.000 0.838 74 L N 1.824 123.031 121.223 -0.027 0.000 2.514 74 L HA -0.044 3.657 4.340 -1.065 0.000 0.280 74 L C 1.828 178.696 176.870 -0.004 0.000 1.223 74 L CA -0.170 54.668 54.840 -0.003 0.000 0.864 74 L CB -0.058 41.999 42.059 -0.003 0.000 1.118 74 L HN 0.506 nan 8.230 nan 0.000 0.494 75 A N 3.619 126.433 122.820 -0.010 0.000 1.869 75 A HA -0.281 3.400 4.320 -1.065 0.000 0.218 75 A C 2.297 179.897 177.584 0.027 0.000 1.203 75 A CA 2.294 54.329 52.037 -0.003 0.000 0.638 75 A CB -0.493 18.447 19.000 -0.101 0.000 0.831 75 A HN 0.907 nan 8.150 nan 0.000 0.450 76 R N 0.194 120.708 120.500 0.024 0.000 2.105 76 R HA -0.166 3.535 4.340 -1.065 0.000 0.239 76 R C 2.060 178.400 176.300 0.066 0.000 1.135 76 R CA 2.162 58.306 56.100 0.074 0.000 0.967 76 R CB -0.645 29.738 30.300 0.137 0.000 0.861 76 R HN 0.722 nan 8.270 nan 0.000 0.442 77 E N -0.533 119.690 120.200 0.038 0.000 2.118 77 E HA -0.174 3.537 4.350 -1.065 0.000 0.195 77 E C 1.670 178.279 176.600 0.015 0.000 0.992 77 E CA 1.664 58.075 56.400 0.018 0.000 0.804 77 E CB 0.016 29.710 29.700 -0.011 0.000 0.741 77 E HN 0.254 nan 8.360 nan 0.000 0.458 78 V N 0.268 120.194 119.914 0.019 0.000 2.343 78 V HA -0.248 3.233 4.120 -1.065 0.000 0.247 78 V C 2.443 178.594 176.094 0.096 0.000 1.051 78 V CA 1.833 64.160 62.300 0.047 0.000 1.036 78 V CB -0.571 31.311 31.823 0.099 0.000 0.654 78 V HN 0.298 nan 8.190 nan 0.000 0.451 79 S N 0.225 115.994 115.700 0.117 0.000 2.359 79 S HA -0.217 3.614 4.470 -1.065 0.000 0.224 79 S C 1.911 176.568 174.600 0.095 0.000 1.035 79 S CA 1.952 60.232 58.200 0.134 0.000 1.018 79 S CB -0.403 62.874 63.200 0.129 0.000 0.876 79 S HN 0.688 nan 8.310 nan 0.000 0.448 80 N N 1.065 119.804 118.700 0.065 0.000 2.106 80 N HA -0.035 4.066 4.740 -1.065 0.000 0.188 80 N C 1.694 177.229 175.510 0.043 0.000 1.029 80 N CA 1.108 54.183 53.050 0.042 0.000 0.848 80 N CB -0.486 38.014 38.487 0.022 0.000 1.007 80 N HN 0.241 nan 8.380 nan 0.000 0.423 81 K N 0.293 120.716 120.400 0.037 0.000 2.057 81 K HA 0.110 3.791 4.320 -1.065 0.000 0.206 81 K C 1.793 178.421 176.600 0.047 0.000 1.050 81 K CA 0.864 57.169 56.287 0.031 0.000 0.935 81 K CB 0.029 32.537 32.500 0.013 0.000 0.715 81 K HN 0.210 nan 8.250 nan 0.000 0.439 82 I N -1.937 118.673 120.570 0.066 0.000 3.518 82 I HA -0.066 3.464 4.170 -1.065 0.000 0.260 82 I C 1.614 177.790 176.117 0.098 0.000 1.148 82 I CA 0.046 61.390 61.300 0.074 0.000 1.440 82 I CB -0.050 37.995 38.000 0.075 0.000 1.485 82 I HN -0.271 nan 8.210 nan 0.000 0.456 83 V N 1.523 121.513 119.914 0.128 0.000 2.594 83 V HA -0.076 3.404 4.120 -1.065 0.000 0.253 83 V C 1.317 177.535 176.094 0.207 0.000 1.069 83 V CA 1.455 63.854 62.300 0.166 0.000 1.082 83 V CB -1.443 30.519 31.823 0.232 0.000 0.680 83 V HN 0.467 nan 8.190 nan 0.000 0.469 84 G N -1.310 107.596 108.800 0.177 0.000 2.488 84 G HA2 0.603 3.924 3.960 -1.065 0.000 0.318 84 G HA3 0.603 3.924 3.960 -1.065 0.000 0.318 84 G C -1.099 173.960 174.900 0.266 0.000 1.188 84 G CA -0.304 44.903 45.100 0.178 0.000 0.944 84 G HN 0.460 nan 8.290 nan 0.000 0.495 85 Y N -2.646 117.681 120.300 0.045 0.000 2.656 85 Y HA 0.597 4.506 4.550 -1.069 0.000 0.334 85 Y C -0.374 175.545 175.900 0.032 0.000 1.179 85 Y CA -1.236 56.886 58.100 0.036 0.000 1.050 85 Y CB 1.272 39.755 38.460 0.039 0.000 1.308 85 Y HN 0.263 nan 8.280 nan 0.000 0.456 86 L N 0.303 121.594 121.223 0.114 0.000 2.781 86 L HA 0.300 4.001 4.340 -1.065 0.000 0.245 86 L C -0.463 176.456 176.870 0.082 0.000 1.118 86 L CA 0.220 55.069 54.840 0.015 0.000 0.918 86 L CB 0.636 42.711 42.059 0.027 0.000 1.246 86 L HN 0.635 nan 8.230 nan 0.000 0.526 87 D N 0.524 121.054 120.400 0.216 0.000 2.217 87 D HA 0.148 4.149 4.640 -1.065 0.000 0.243 87 D C 0.244 176.747 176.300 0.338 0.000 1.054 87 D CA -0.094 54.022 54.000 0.193 0.000 0.838 87 D CB 1.374 42.257 40.800 0.138 0.000 1.162 87 D HN -0.079 nan 8.370 nan 0.000 0.472 88 E N 2.509 122.855 120.200 0.243 0.000 2.496 88 E HA 0.060 3.771 4.350 -1.065 0.000 0.202 88 E C -0.475 176.229 176.600 0.173 0.000 1.021 88 E CA -0.101 56.484 56.400 0.308 0.000 1.015 88 E CB 0.453 30.278 29.700 0.208 0.000 1.102 88 E HN 0.532 nan 8.360 nan 0.000 0.452 89 E N -0.403 119.873 120.200 0.126 0.000 2.156 89 E HA 0.379 4.090 4.350 -1.065 0.000 0.279 89 E C 0.563 177.194 176.600 0.051 0.000 0.965 89 E CA -0.056 56.391 56.400 0.078 0.000 0.789 89 E CB 0.858 30.597 29.700 0.065 0.000 1.098 89 E HN 0.253 nan 8.360 nan 0.000 0.397 90 G N 2.845 111.673 108.800 0.045 0.000 2.159 90 G HA2 -0.290 3.031 3.960 -1.065 0.000 0.256 90 G HA3 -0.290 3.031 3.960 -1.065 0.000 0.256 90 G C 0.715 175.626 174.900 0.017 0.000 0.977 90 G CA 0.309 45.427 45.100 0.029 0.000 0.652 90 G HN 0.600 nan 8.290 nan 0.000 0.531 91 V N 1.136 121.063 119.914 0.022 0.000 3.573 91 V HA 0.399 3.880 4.120 -1.065 0.000 0.270 91 V C 1.266 177.384 176.094 0.040 0.000 1.221 91 V CA 0.344 62.643 62.300 -0.002 0.000 1.163 91 V CB -0.286 31.532 31.823 -0.008 0.000 0.847 91 V HN 0.387 nan 8.190 nan 0.000 0.468 92 L N 1.242 122.499 121.223 0.057 0.000 2.349 92 L HA 0.345 4.046 4.340 -1.065 0.000 0.275 92 L C 0.235 177.148 176.870 0.072 0.000 1.115 92 L CA -0.092 54.794 54.840 0.076 0.000 0.820 92 L CB 0.949 43.056 42.059 0.080 0.000 1.135 92 L HN 0.185 nan 8.230 nan 0.000 0.445 93 D N 3.348 123.804 120.400 0.092 0.000 2.344 93 D HA -0.039 3.962 4.640 -1.065 0.000 0.253 93 D C 0.883 177.228 176.300 0.074 0.000 1.255 93 D CA -0.146 53.906 54.000 0.087 0.000 0.894 93 D CB 1.240 42.116 40.800 0.126 0.000 1.067 93 D HN 0.437 nan 8.370 nan 0.000 0.492 94 Q N 2.498 122.329 119.800 0.052 0.000 2.297 94 Q HA -0.163 3.538 4.340 -1.065 0.000 0.208 94 Q C 0.633 176.659 176.000 0.043 0.000 0.981 94 Q CA 1.023 56.854 55.803 0.047 0.000 0.876 94 Q CB -0.050 28.709 28.738 0.034 0.000 0.921 94 Q HN 0.443 nan 8.270 nan 0.000 0.446 95 N N 0.395 119.112 118.700 0.028 0.000 2.599 95 N HA 0.081 4.182 4.740 -1.065 0.000 0.309 95 N C -1.398 174.100 175.510 -0.021 0.000 1.743 95 N CA -0.107 52.947 53.050 0.007 0.000 0.918 95 N CB 0.394 38.872 38.487 -0.015 0.000 1.339 95 N HN -0.165 nan 8.380 nan 0.000 0.493 96 R N 0.311 120.827 120.500 0.027 0.000 2.542 96 R HA 0.203 3.904 4.340 -1.065 0.000 0.284 96 R C -0.612 175.790 176.300 0.170 0.000 1.167 96 R CA -0.482 55.637 56.100 0.032 0.000 1.000 96 R CB 0.628 30.926 30.300 -0.004 0.000 1.229 96 R HN 0.372 nan 8.270 nan 0.000 0.416 97 S N 2.052 117.876 115.700 0.207 0.000 2.584 97 S HA 0.111 3.942 4.470 -1.065 0.000 0.270 97 S C 1.457 176.233 174.600 0.293 0.000 1.346 97 S CA -0.713 57.628 58.200 0.234 0.000 1.018 97 S CB 0.883 64.213 63.200 0.217 0.000 0.899 97 S HN 0.663 nan 8.310 nan 0.000 0.542 98 L N 0.815 122.180 121.223 0.236 0.000 2.261 98 L HA -0.079 3.622 4.340 -1.065 0.000 0.216 98 L C 2.125 179.135 176.870 0.234 0.000 1.114 98 L CA 1.316 56.286 54.840 0.216 0.000 0.777 98 L CB -0.669 41.489 42.059 0.164 0.000 0.910 98 L HN 0.866 nan 8.230 nan 0.000 0.440 99 L N -0.350 121.027 121.223 0.257 0.000 2.042 99 L HA -0.263 3.438 4.340 -1.065 0.000 0.210 99 L C 2.321 179.440 176.870 0.414 0.000 1.076 99 L CA 1.787 56.777 54.840 0.250 0.000 0.749 99 L CB -0.869 41.283 42.059 0.156 0.000 0.893 99 L HN 0.236 nan 8.230 nan 0.000 0.432 100 F N 0.013 120.193 119.950 0.383 0.000 2.032 100 F HA -0.376 3.536 4.527 -1.025 0.000 0.297 100 F C 2.547 178.506 175.800 0.266 0.000 1.125 100 F CA 2.597 60.823 58.000 0.377 0.000 1.202 100 F CB -0.855 38.314 39.000 0.281 0.000 0.958 100 F HN 0.270 nan 8.300 nan 0.000 0.491 101 M N 0.293 119.936 119.600 0.071 0.000 2.089 101 M HA -0.299 3.542 4.480 -1.065 0.000 0.257 101 M C 2.207 178.443 176.300 -0.106 0.000 1.071 101 M CA 2.361 57.592 55.300 -0.114 0.000 1.096 101 M CB -1.132 31.486 32.600 0.030 0.000 1.330 101 M HN 0.463 nan 8.290 nan 0.000 0.403 102 Q N -0.522 119.290 119.800 0.020 0.000 2.119 102 Q HA -0.189 3.512 4.340 -1.065 0.000 0.201 102 Q C 1.849 177.830 176.000 -0.031 0.000 0.972 102 Q CA 1.995 57.796 55.803 -0.004 0.000 0.847 102 Q CB -0.752 28.027 28.738 0.069 0.000 0.903 102 Q HN 0.728 nan 8.270 nan 0.000 0.433 103 W N -0.195 121.003 121.300 -0.170 0.000 2.467 103 W HA -0.029 4.042 4.660 -0.981 0.000 0.275 103 W C 1.489 177.738 176.519 -0.450 0.000 1.239 103 W CA 1.140 58.320 57.345 -0.275 0.000 1.266 103 W CB -0.151 29.218 29.460 -0.151 0.000 1.112 103 W HN 0.317 nan 8.180 nan 0.000 0.576 104 G N 0.420 108.967 108.800 -0.421 0.000 2.422 104 G HA2 -0.369 2.952 3.960 -1.065 0.000 0.218 104 G HA3 -0.369 2.952 3.960 -1.065 0.000 0.218 104 G C 1.380 175.872 174.900 -0.680 0.000 1.146 104 G CA 1.089 45.890 45.100 -0.498 0.000 0.769 104 G HN 0.421 nan 8.290 nan 0.000 0.547 105 Q N -0.361 119.074 119.800 -0.608 0.000 2.297 105 Q HA 0.058 3.759 4.340 -1.065 0.000 0.204 105 Q C 2.313 177.894 176.000 -0.698 0.000 0.962 105 Q CA 0.467 55.846 55.803 -0.705 0.000 0.879 105 Q CB -0.094 28.326 28.738 -0.531 0.000 0.947 105 Q HN 0.482 nan 8.270 nan 0.000 0.462 106 I N -0.266 119.925 120.570 -0.632 0.000 2.339 106 I HA -0.174 3.357 4.170 -1.065 0.000 0.245 106 I C 2.140 177.912 176.117 -0.576 0.000 1.096 106 I CA 0.589 61.523 61.300 -0.609 0.000 1.408 106 I CB -0.426 37.071 38.000 -0.839 0.000 1.092 106 I HN 0.108 nan 8.210 nan 0.000 0.423 107 V N 1.281 120.768 119.914 -0.712 0.000 2.332 107 V HA -0.325 3.155 4.120 -1.065 0.000 0.248 107 V C 2.401 178.483 176.094 -0.021 0.000 1.055 107 V CA 2.248 64.357 62.300 -0.318 0.000 1.038 107 V CB -0.773 30.933 31.823 -0.196 0.000 0.651 107 V HN 0.519 nan 8.190 nan 0.000 0.450 108 D N -0.399 119.841 120.400 -0.267 0.000 2.084 108 D HA -0.232 3.769 4.640 -1.065 0.000 0.194 108 D C 1.969 178.194 176.300 -0.125 0.000 0.990 108 D CA 1.819 55.630 54.000 -0.315 0.000 0.826 108 D CB -0.186 40.014 40.800 -1.000 0.000 0.971 108 D HN 0.669 nan 8.370 nan 0.000 0.453 109 H N -0.427 118.489 119.070 -0.258 0.000 2.489 109 H HA -0.093 4.020 4.556 -0.738 0.000 0.293 109 H C 1.620 176.886 175.328 -0.102 0.000 1.066 109 H CA 0.780 56.704 56.048 -0.207 0.000 1.305 109 H CB 0.325 29.954 29.762 -0.222 0.000 1.386 109 H HN 0.171 nan 8.280 nan 0.000 0.551 110 D N 0.474 120.904 120.400 0.050 0.000 2.224 110 D HA -0.075 3.926 4.640 -1.065 0.000 0.205 110 D C 1.800 178.175 176.300 0.126 0.000 0.965 110 D CA 0.619 54.666 54.000 0.077 0.000 0.852 110 D CB 0.315 41.153 40.800 0.063 0.000 0.947 110 D HN 0.389 nan 8.370 nan 0.000 0.494 111 L N -0.094 121.215 121.223 0.144 0.000 2.408 111 L HA 0.171 3.872 4.340 -1.065 0.000 0.215 111 L C 0.112 177.062 176.870 0.134 0.000 1.081 111 L CA 0.273 55.212 54.840 0.164 0.000 0.840 111 L CB 0.251 42.465 42.059 0.258 0.000 1.002 111 L HN -0.032 nan 8.230 nan 0.000 0.468 112 D N -1.373 119.097 120.400 0.115 0.000 2.937 112 D HA 0.216 4.217 4.640 -1.065 0.000 0.215 112 D C -1.561 174.820 176.300 0.135 0.000 1.274 112 D CA -0.324 53.741 54.000 0.109 0.000 0.869 112 D CB 2.464 43.317 40.800 0.089 0.000 1.675 112 D HN -0.285 nan 8.370 nan 0.000 0.538 113 F N 1.429 121.369 119.950 -0.016 0.000 2.612 113 F HA 0.595 4.507 4.527 -1.025 0.000 0.332 113 F C -1.263 174.526 175.800 -0.017 0.000 1.167 113 F CA -1.309 56.669 58.000 -0.038 0.000 0.970 113 F CB 1.713 40.682 39.000 -0.051 0.000 1.234 113 F HN 0.590 nan 8.300 nan 0.000 0.453 114 A N 7.804 130.765 122.820 0.235 0.000 2.280 114 A HA 0.674 4.354 4.320 -1.065 0.000 0.320 114 A C -2.612 174.875 177.584 -0.162 0.000 1.366 114 A CA -1.513 50.556 52.037 0.053 0.000 0.938 114 A CB -0.091 19.043 19.000 0.224 0.000 1.157 114 A HN 0.419 nan 8.150 nan 0.000 0.536 115 P HA 0.149 nan 4.420 nan 0.000 0.266 115 P C -0.162 176.985 177.300 -0.256 0.000 1.215 115 P CA 0.446 63.205 63.100 -0.568 0.000 0.763 115 P CB 0.538 31.935 31.700 -0.506 0.000 0.806 116 E N 1.035 121.123 120.200 -0.187 0.000 2.392 116 E HA 0.126 3.837 4.350 -1.065 0.000 0.256 116 E C 1.113 177.631 176.600 -0.138 0.000 1.145 116 E CA -0.539 55.794 56.400 -0.112 0.000 0.929 116 E CB -0.225 29.404 29.700 -0.117 0.000 0.998 116 E HN 0.378 nan 8.360 nan 0.000 0.442 117 T N -0.245 114.275 114.554 -0.056 0.000 3.101 117 T HA -0.172 3.539 4.350 -1.065 0.000 0.214 117 T C 0.598 175.240 174.700 -0.096 0.000 1.259 117 T CA 0.756 62.829 62.100 -0.045 0.000 1.832 117 T CB -0.310 68.613 68.868 0.092 0.000 1.077 117 T HN 0.518 nan 8.240 nan 0.000 0.356 118 E N 0.464 120.637 120.200 -0.044 0.000 2.280 118 E HA 0.404 4.114 4.350 -1.065 0.000 0.264 118 E C 0.774 177.255 176.600 -0.198 0.000 1.064 118 E CA -0.674 55.675 56.400 -0.085 0.000 0.900 118 E CB 0.675 30.385 29.700 0.016 0.000 1.123 118 E HN 0.429 nan 8.360 nan 0.000 0.418 119 L N -0.828 120.304 121.223 -0.151 0.000 3.277 119 L HA 0.688 4.389 4.340 -1.065 0.000 0.178 119 L C 1.301 178.107 176.870 -0.108 0.000 1.384 119 L CA 0.646 55.383 54.840 -0.171 0.000 1.254 119 L CB -1.574 40.396 42.059 -0.147 0.000 1.593 119 L HN 0.792 nan 8.230 nan 0.000 0.748 120 G N -1.401 107.352 108.800 -0.077 0.000 4.020 120 G HA2 -0.126 3.195 3.960 -1.065 0.000 0.195 120 G HA3 -0.126 3.195 3.960 -1.065 0.000 0.195 120 G C -0.053 174.820 174.900 -0.046 0.000 1.819 120 G CA 0.268 45.343 45.100 -0.042 0.000 1.109 120 G HN 0.591 nan 8.290 nan 0.000 0.385 121 S N -0.531 115.132 115.700 -0.061 0.000 3.817 121 S HA 0.243 4.074 4.470 -1.065 0.000 0.690 121 S C 0.311 174.886 174.600 -0.041 0.000 0.542 121 S CA 1.225 59.391 58.200 -0.056 0.000 1.437 121 S CB -1.558 61.613 63.200 -0.049 0.000 0.843 121 S HN 2.483 nan 8.310 nan 0.000 0.992 122 S N -0.022 115.648 115.700 -0.051 0.000 3.551 122 S HA -0.155 3.676 4.470 -1.065 0.000 0.547 122 S C -0.399 174.189 174.600 -0.019 0.000 0.699 122 S CA 1.235 59.409 58.200 -0.043 0.000 1.399 122 S CB -0.294 62.889 63.200 -0.029 0.000 0.922 122 S HN 0.993 nan 8.310 nan 0.000 0.818 123 E N 1.399 121.581 120.200 -0.030 0.000 2.266 123 E HA 0.611 4.322 4.350 -1.065 0.000 0.268 123 E C 0.067 176.676 176.600 0.015 0.000 0.879 123 E CA -0.712 55.698 56.400 0.017 0.000 0.762 123 E CB 0.938 30.648 29.700 0.017 0.000 1.199 123 E HN 0.556 nan 8.360 nan 0.000 0.422 124 H N 0.951 120.037 119.070 0.026 0.000 2.539 124 H HA 0.127 4.044 4.556 -1.065 0.000 0.269 124 H C 1.267 176.632 175.328 0.062 0.000 0.980 124 H CA 1.059 57.131 56.048 0.039 0.000 1.152 124 H CB 0.703 30.479 29.762 0.024 0.000 1.407 124 H HN 0.448 nan 8.280 nan 0.000 0.564 125 S N -0.629 115.176 115.700 0.175 0.000 2.503 125 S HA 0.008 3.839 4.470 -1.065 0.000 0.215 125 S C 1.565 176.297 174.600 0.220 0.000 1.003 125 S CA -0.177 58.127 58.200 0.173 0.000 0.910 125 S CB 0.292 63.584 63.200 0.154 0.000 0.790 125 S HN 0.240 nan 8.310 nan 0.000 0.514 126 K N 1.284 121.801 120.400 0.195 0.000 2.217 126 K HA 0.084 3.765 4.320 -1.065 0.000 0.202 126 K C 1.766 178.508 176.600 0.236 0.000 1.051 126 K CA 1.202 57.644 56.287 0.257 0.000 0.952 126 K CB -0.347 32.189 32.500 0.060 0.000 0.736 126 K HN 0.297 nan 8.250 nan 0.000 0.453 127 V N 1.227 121.244 119.914 0.173 0.000 2.667 127 V HA -0.189 3.292 4.120 -1.065 0.000 0.252 127 V C 2.163 178.448 176.094 0.319 0.000 1.065 127 V CA 1.458 63.872 62.300 0.190 0.000 1.083 127 V CB -0.475 31.435 31.823 0.145 0.000 0.692 127 V HN 0.327 nan 8.190 nan 0.000 0.468 128 Q N -1.631 118.347 119.800 0.296 0.000 2.444 128 Q HA -0.065 3.636 4.340 -1.065 0.000 0.206 128 Q C 1.941 178.109 176.000 0.281 0.000 0.948 128 Q CA 0.946 56.938 55.803 0.315 0.000 0.946 128 Q CB 0.058 28.851 28.738 0.090 0.000 1.027 128 Q HN 0.675 nan 8.270 nan 0.000 0.513 129 c N -0.677 118.047 118.600 0.207 0.000 3.097 129 c HA 0.189 4.120 4.570 -1.065 0.000 0.335 129 c C 1.495 175.656 174.090 0.118 0.000 1.283 129 c CA -0.028 56.360 56.329 0.098 0.000 1.778 129 c CB 0.214 42.697 42.510 -0.045 0.000 2.365 129 c HN 0.494 nan 8.230 nan 0.000 0.627 130 E N 0.002 120.308 120.200 0.177 0.000 2.496 130 E HA 0.108 3.819 4.350 -1.065 0.000 0.202 130 E C 0.883 177.494 176.600 0.019 0.000 1.021 130 E CA 0.254 56.739 56.400 0.143 0.000 1.015 130 E CB 0.138 29.997 29.700 0.266 0.000 1.102 130 E HN 0.578 nan 8.360 nan 0.000 0.452 131 E N -1.065 119.095 120.200 -0.066 0.000 3.027 131 E HA 0.012 3.723 4.350 -1.065 0.000 0.221 131 E C 0.469 176.768 176.600 -0.501 0.000 1.070 131 E CA 0.282 56.451 56.400 -0.385 0.000 1.705 131 E CB 0.022 29.278 29.700 -0.740 0.000 1.998 131 E HN 0.261 nan 8.360 nan 0.000 0.976 132 Y N 0.228 120.532 120.300 0.005 0.000 2.444 132 Y HA 0.272 4.182 4.550 -1.066 0.000 0.249 132 Y C 0.723 176.601 175.900 -0.037 0.000 1.134 132 Y CA -0.816 57.278 58.100 -0.011 0.000 1.261 132 Y CB -0.138 38.320 38.460 -0.005 0.000 1.143 132 Y HN -0.024 nan 8.280 nan 0.000 0.523 133 c N 2.661 121.317 118.600 0.092 0.000 3.727 133 c HA -0.200 3.731 4.570 -1.065 0.000 0.293 133 c C 0.279 174.362 174.090 -0.012 0.000 1.339 133 c CA -0.717 55.610 56.329 -0.004 0.000 2.150 133 c CB -2.890 39.574 42.510 -0.076 0.000 1.383 133 c HN 0.298 nan 8.230 nan 0.000 0.614 134 I N 0.768 121.347 120.570 0.015 0.000 2.336 134 I HA 0.267 3.798 4.170 -1.065 0.000 0.292 134 I C 0.534 176.595 176.117 -0.093 0.000 0.991 134 I CA -0.090 61.186 61.300 -0.040 0.000 1.227 134 I CB 1.084 39.069 38.000 -0.026 0.000 1.366 134 I HN 0.392 nan 8.210 nan 0.000 0.466 135 Q N 3.661 123.354 119.800 -0.178 0.000 2.349 135 Q HA 0.415 4.116 4.340 -1.065 0.000 0.287 135 Q C 0.033 175.892 176.000 -0.235 0.000 1.044 135 Q CA 0.551 56.163 55.803 -0.318 0.000 0.918 135 Q CB 0.949 29.310 28.738 -0.629 0.000 1.242 135 Q HN 0.928 nan 8.270 nan 0.000 0.405 136 G N 3.461 112.206 108.800 -0.092 0.000 2.312 136 G HA2 0.179 3.500 3.960 -1.065 0.000 0.279 136 G HA3 0.179 3.500 3.960 -1.065 0.000 0.279 136 G C -0.290 174.784 174.900 0.289 0.000 2.698 136 G CA -0.021 45.147 45.100 0.114 0.000 0.764 136 G HN 0.849 nan 8.290 nan 0.000 0.465 137 D N 1.569 122.265 120.400 0.493 0.000 3.258 137 D HA -0.305 3.695 4.640 -1.065 0.000 0.177 137 D C 0.567 176.974 176.300 0.179 0.000 1.580 137 D CA 2.556 56.700 54.000 0.240 0.000 1.096 137 D CB -0.814 40.072 40.800 0.143 0.000 0.951 137 D HN 0.527 nan 8.370 nan 0.000 0.606 138 N N -1.018 117.809 118.700 0.212 0.000 2.075 138 N HA 0.085 4.186 4.740 -1.065 0.000 0.226 138 N C -0.455 175.139 175.510 0.140 0.000 1.343 138 N CA 0.344 53.520 53.050 0.210 0.000 0.881 138 N CB 1.176 39.807 38.487 0.240 0.000 1.100 138 N HN 0.400 nan 8.380 nan 0.000 0.495 139 c N 1.766 120.408 118.600 0.069 0.000 2.271 139 c HA 0.601 4.532 4.570 -1.065 0.000 0.323 139 c C -0.863 173.347 174.090 0.199 0.000 1.245 139 c CA -0.711 55.522 56.329 -0.160 0.000 1.548 139 c CB -1.322 40.990 42.510 -0.329 0.000 2.214 139 c HN 0.206 nan 8.230 nan 0.000 0.477 140 F N 9.042 129.069 119.950 0.129 0.000 2.443 140 F HA 0.585 4.471 4.527 -1.067 0.000 0.369 140 F C -2.578 173.294 175.800 0.120 0.000 1.090 140 F CA -3.119 55.024 58.000 0.238 0.000 1.129 140 F CB 0.742 40.009 39.000 0.445 0.000 1.367 140 F HN 0.425 nan 8.300 nan 0.000 0.465 141 P HA 0.172 nan 4.420 nan 0.000 0.270 141 P C -0.390 176.641 177.300 -0.449 0.000 1.223 141 P CA 0.302 63.250 63.100 -0.254 0.000 0.785 141 P CB 0.872 32.459 31.700 -0.188 0.000 0.923 142 I N 2.118 122.480 120.570 -0.346 0.000 2.354 142 I HA 0.272 3.803 4.170 -1.065 0.000 0.286 142 I C 0.300 176.188 176.117 -0.381 0.000 1.007 142 I CA -0.753 60.324 61.300 -0.372 0.000 1.167 142 I CB 1.078 38.919 38.000 -0.265 0.000 1.320 142 I HN 0.211 nan 8.210 nan 0.000 0.458 143 M N 6.035 125.458 119.600 -0.296 0.000 2.250 143 M HA 0.396 4.236 4.480 -1.065 0.000 0.344 143 M C -0.673 175.523 176.300 -0.175 0.000 1.150 143 M CA 0.170 55.305 55.300 -0.275 0.000 1.147 143 M CB 0.433 32.950 32.600 -0.139 0.000 1.498 143 M HN 0.217 nan 8.290 nan 0.000 0.461 144 F N 3.858 123.778 119.950 -0.049 0.000 2.411 144 F HA 0.380 4.266 4.527 -1.067 0.000 0.350 144 F C -1.548 174.232 175.800 -0.034 0.000 1.114 144 F CA -1.965 56.010 58.000 -0.042 0.000 1.135 144 F CB 0.554 39.528 39.000 -0.044 0.000 1.120 144 F HN 0.418 nan 8.300 nan 0.000 0.495 145 P HA -0.035 nan 4.420 nan 0.000 0.273 145 P C -0.744 176.595 177.300 0.065 0.000 1.258 145 P CA -0.488 62.661 63.100 0.081 0.000 0.802 145 P CB 0.498 32.230 31.700 0.052 0.000 1.040 146 K N 1.078 121.498 120.400 0.034 0.000 2.202 146 K HA 0.063 3.743 4.320 -1.065 0.000 0.264 146 K C -0.005 176.597 176.600 0.003 0.000 1.010 146 K CA -0.078 56.221 56.287 0.019 0.000 0.940 146 K CB -0.387 32.121 32.500 0.012 0.000 0.983 146 K HN 0.453 nan 8.250 nan 0.000 0.475 147 N N 1.344 120.039 118.700 -0.008 0.000 2.735 147 N HA -0.211 3.890 4.740 -1.065 0.000 0.248 147 N C -1.451 174.036 175.510 -0.039 0.000 1.083 147 N CA 0.907 53.944 53.050 -0.022 0.000 0.703 147 N CB -0.540 37.938 38.487 -0.015 0.000 1.005 147 N HN 0.669 nan 8.380 nan 0.000 0.550 148 D N -0.583 119.781 120.400 -0.060 0.000 2.256 148 D HA 0.251 4.252 4.640 -1.065 0.000 0.246 148 D C -1.720 174.469 176.300 -0.184 0.000 1.042 148 D CA -2.135 51.799 54.000 -0.110 0.000 0.841 148 D CB 1.744 42.477 40.800 -0.113 0.000 1.223 148 D HN -0.195 nan 8.370 nan 0.000 0.470 149 P HA -0.126 nan 4.420 nan 0.000 0.216 149 P C 1.111 178.257 177.300 -0.256 0.000 1.153 149 P CA 1.326 64.318 63.100 -0.180 0.000 0.858 149 P CB 0.287 31.901 31.700 -0.143 0.000 0.789 150 K N -0.948 119.200 120.400 -0.420 0.000 2.281 150 K HA -0.138 3.543 4.320 -1.065 0.000 0.203 150 K C 2.070 178.314 176.600 -0.592 0.000 1.046 150 K CA 0.845 56.762 56.287 -0.617 0.000 0.938 150 K CB -0.805 31.034 32.500 -1.102 0.000 0.737 150 K HN 0.219 nan 8.250 nan 0.000 0.458 151 L N 1.639 122.581 121.223 -0.470 0.000 1.994 151 L HA -0.222 3.479 4.340 -1.065 0.000 0.208 151 L C 2.252 179.066 176.870 -0.092 0.000 1.071 151 L CA 1.693 56.423 54.840 -0.183 0.000 0.745 151 L CB -0.168 41.834 42.059 -0.095 0.000 0.892 151 L HN 0.089 nan 8.230 nan 0.000 0.431 152 K N -1.546 118.793 120.400 -0.101 0.000 2.103 152 K HA -0.134 3.547 4.320 -1.065 0.000 0.207 152 K C 1.793 178.358 176.600 -0.058 0.000 1.048 152 K CA 1.843 58.092 56.287 -0.064 0.000 0.930 152 K CB -0.300 32.163 32.500 -0.062 0.000 0.716 152 K HN 0.359 nan 8.250 nan 0.000 0.444 153 T N 0.113 114.615 114.554 -0.087 0.000 3.034 153 T HA 0.030 3.740 4.350 -1.065 0.000 0.248 153 T C 1.628 176.300 174.700 -0.047 0.000 1.040 153 T CA 0.594 62.653 62.100 -0.068 0.000 1.107 153 T CB 0.338 69.156 68.868 -0.084 0.000 0.932 153 T HN 0.183 nan 8.240 nan 0.000 0.474 154 Q N -0.766 119.003 119.800 -0.051 0.000 2.580 154 Q HA 0.452 4.153 4.340 -1.065 0.000 0.239 154 Q C 1.062 177.107 176.000 0.075 0.000 0.873 154 Q CA 0.409 56.216 55.803 0.008 0.000 0.951 154 Q CB 1.400 30.144 28.738 0.011 0.000 1.172 154 Q HN 0.484 nan 8.270 nan 0.000 0.616 155 G N -0.140 108.758 108.800 0.163 0.000 2.564 155 G HA2 -0.028 3.292 3.960 -1.065 0.000 0.139 155 G HA3 -0.028 3.292 3.960 -1.065 0.000 0.139 155 G C -0.669 174.436 174.900 0.342 0.000 1.147 155 G CA -0.231 44.981 45.100 0.187 0.000 1.031 155 G HN -0.051 nan 8.290 nan 0.000 0.482 156 K N -0.965 119.536 120.400 0.167 0.000 2.276 156 K HA 0.402 4.083 4.320 -1.065 0.000 0.198 156 K C 0.527 176.915 176.600 -0.352 0.000 1.052 156 K CA 1.117 57.446 56.287 0.069 0.000 0.984 156 K CB 0.334 32.822 32.500 -0.019 0.000 0.836 156 K HN 0.939 nan 8.250 nan 0.000 0.490 157 c N -1.319 116.905 118.600 -0.627 0.000 3.306 157 c HA 0.592 4.523 4.570 -1.065 0.000 0.335 157 c C -1.343 172.335 174.090 -0.686 0.000 1.382 157 c CA -1.468 54.236 56.329 -1.041 0.000 1.254 157 c CB 0.680 42.883 42.510 -0.511 0.000 1.555 157 c HN 0.236 nan 8.230 nan 0.000 0.463 158 M N 0.162 119.435 119.600 -0.545 0.000 2.383 158 M HA 0.683 4.524 4.480 -1.065 0.000 0.325 158 M C -2.900 173.443 176.300 0.072 0.000 1.092 158 M CA -1.635 53.551 55.300 -0.190 0.000 0.961 158 M CB 1.182 33.690 32.600 -0.154 0.000 1.672 158 M HN 0.351 nan 8.290 nan 0.000 0.438 159 P HA 0.083 nan 4.420 nan 0.000 0.266 159 P C -1.509 175.967 177.300 0.293 0.000 1.186 159 P CA 0.597 63.838 63.100 0.235 0.000 0.767 159 P CB 0.129 32.028 31.700 0.332 0.000 0.820 160 F N 3.503 123.463 119.950 0.017 0.000 2.767 160 F HA 0.397 4.283 4.527 -1.069 0.000 0.341 160 F C -1.948 173.859 175.800 0.012 0.000 1.192 160 F CA -0.654 57.381 58.000 0.057 0.000 1.127 160 F CB 0.597 39.551 39.000 -0.076 0.000 1.388 160 F HN 0.021 nan 8.300 nan 0.000 0.574 161 F N 5.380 125.146 119.950 -0.307 0.000 2.427 161 F HA 0.598 4.485 4.527 -1.067 0.000 0.346 161 F C 0.630 176.342 175.800 -0.146 0.000 1.120 161 F CA -0.846 57.108 58.000 -0.076 0.000 1.033 161 F CB 1.334 40.292 39.000 -0.070 0.000 1.126 161 F HN 0.331 nan 8.300 nan 0.000 0.462 162 R N 1.514 122.200 120.500 0.311 0.000 2.817 162 R HA 0.419 4.120 4.340 -1.065 0.000 0.264 162 R C -0.011 176.402 176.300 0.187 0.000 1.009 162 R CA -0.186 56.106 56.100 0.320 0.000 1.133 162 R CB 0.164 30.629 30.300 0.275 0.000 1.013 162 R HN 0.705 nan 8.270 nan 0.000 0.453 163 A N 1.242 124.161 122.820 0.165 0.000 2.302 163 A HA 0.468 4.148 4.320 -1.065 0.000 0.285 163 A C 0.498 178.159 177.584 0.128 0.000 1.105 163 A CA -0.192 51.907 52.037 0.103 0.000 0.816 163 A CB 0.715 19.797 19.000 0.136 0.000 1.067 163 A HN 0.760 nan 8.150 nan 0.000 0.489 164 G N 0.166 108.991 108.800 0.042 0.000 2.321 164 G HA2 0.413 3.733 3.960 -1.065 0.000 0.237 164 G HA3 0.413 3.733 3.960 -1.065 0.000 0.237 164 G C -0.300 174.633 174.900 0.054 0.000 1.282 164 G CA 0.225 45.306 45.100 -0.031 0.000 0.886 164 G HN 1.044 nan 8.290 nan 0.000 0.528 165 F N 0.222 120.135 119.950 -0.062 0.000 2.577 165 F HA 0.494 4.381 4.527 -1.068 0.000 0.318 165 F C 0.653 176.427 175.800 -0.043 0.000 1.065 165 F CA -1.729 56.242 58.000 -0.050 0.000 0.929 165 F CB 1.231 40.196 39.000 -0.058 0.000 1.237 165 F HN 0.395 nan 8.300 nan 0.000 0.468 166 V N -1.609 118.329 119.914 0.040 0.000 3.440 166 V HA -0.075 3.406 4.120 -1.065 0.000 0.274 166 V C 0.533 176.627 176.094 -0.001 0.000 1.207 166 V CA 1.226 63.528 62.300 0.003 0.000 1.183 166 V CB -1.926 29.937 31.823 0.067 0.000 0.837 166 V HN 0.975 nan 8.190 nan 0.000 0.532 167 c N -1.888 116.711 118.600 -0.003 0.000 2.374 167 c HA 0.379 4.310 4.570 -1.065 0.000 0.412 167 c C -0.167 173.873 174.090 -0.083 0.000 1.421 167 c CA 0.499 56.826 56.329 -0.004 0.000 2.484 167 c CB -0.409 42.134 42.510 0.056 0.000 2.598 167 c HN 0.481 nan 8.230 nan 0.000 0.584 168 P HA 0.307 nan 4.420 nan 0.000 0.341 168 P C 0.487 177.547 177.300 -0.400 0.000 1.407 168 P CA 1.339 64.292 63.100 -0.245 0.000 0.837 168 P CB 0.221 31.833 31.700 -0.146 0.000 2.024 169 T N -5.996 108.253 114.554 -0.509 0.000 3.853 169 T HA 0.122 3.833 4.350 -1.065 0.000 0.249 169 T C -2.417 172.076 174.700 -0.344 0.000 0.767 169 T CA -0.121 61.677 62.100 -0.504 0.000 1.130 169 T CB -1.790 66.906 68.868 -0.288 0.000 0.902 169 T HN 0.123 nan 8.240 nan 0.000 0.381 170 P HA 0.211 nan 4.420 nan 0.000 0.282 170 P C -2.376 174.948 177.300 0.039 0.000 1.273 170 P CA -0.514 62.547 63.100 -0.065 0.000 0.809 170 P CB -0.593 31.047 31.700 -0.100 0.000 1.246 171 P HA 0.026 nan 4.420 nan 0.000 0.271 171 P C -0.568 176.814 177.300 0.137 0.000 1.601 171 P CA 1.191 64.341 63.100 0.084 0.000 0.856 171 P CB -0.576 31.169 31.700 0.076 0.000 1.820 172 Y N -0.878 119.477 120.300 0.091 0.000 2.722 172 Y HA 0.230 4.141 4.550 -1.065 0.000 0.110 172 Y C 1.547 177.421 175.900 -0.043 0.000 0.912 172 Y CA -0.131 57.975 58.100 0.010 0.000 1.854 172 Y CB -0.103 38.369 38.460 0.020 0.000 1.185 172 Y HN -0.026 nan 8.280 nan 0.000 0.236 173 Q N -1.311 118.606 119.800 0.195 0.000 2.962 173 Q HA 0.311 4.012 4.340 -1.065 0.000 0.371 173 Q C 1.332 177.332 176.000 0.000 0.000 0.809 173 Q CA 0.154 55.974 55.803 0.029 0.000 0.839 173 Q CB 1.129 29.854 28.738 -0.021 0.000 2.192 173 Q HN 0.248 nan 8.270 nan 0.000 0.337 174 S N -0.156 115.536 115.700 -0.013 0.000 2.863 174 S HA -0.297 3.534 4.470 -1.065 0.000 0.371 174 S C 0.576 175.171 174.600 -0.008 0.000 1.484 174 S CA 2.127 60.319 58.200 -0.012 0.000 1.040 174 S CB -0.847 62.352 63.200 -0.000 0.000 1.198 174 S HN 0.433 nan 8.310 nan 0.000 0.450 175 L N 1.024 122.250 121.223 0.006 0.000 2.330 175 L HA 0.720 4.420 4.340 -1.065 0.000 0.271 175 L C 0.485 177.363 176.870 0.014 0.000 1.013 175 L CA -0.525 54.324 54.840 0.016 0.000 0.816 175 L CB 1.492 43.574 42.059 0.038 0.000 1.287 175 L HN 0.523 nan 8.230 nan 0.000 0.435 176 A N 3.397 126.241 122.820 0.040 0.000 2.583 176 A HA -0.040 3.641 4.320 -1.065 0.000 0.249 176 A C 0.252 177.896 177.584 0.100 0.000 1.035 176 A CA 0.195 52.284 52.037 0.088 0.000 0.777 176 A CB -0.242 18.827 19.000 0.116 0.000 0.942 176 A HN 0.772 nan 8.150 nan 0.000 0.516 177 R N 2.294 122.841 120.500 0.078 0.000 2.538 177 R HA 0.166 3.867 4.340 -1.065 0.000 0.282 177 R C -1.024 175.378 176.300 0.170 0.000 1.009 177 R CA 0.655 56.778 56.100 0.039 0.000 1.063 177 R CB 0.264 30.416 30.300 -0.247 0.000 0.945 177 R HN 0.731 nan 8.270 nan 0.000 0.414 178 D N 2.979 123.467 120.400 0.147 0.000 2.738 178 D HA 0.200 4.201 4.640 -1.065 0.000 0.237 178 D C -0.841 175.552 176.300 0.154 0.000 1.123 178 D CA -0.592 53.499 54.000 0.151 0.000 0.856 178 D CB 1.992 42.870 40.800 0.130 0.000 1.552 178 D HN 0.449 nan 8.370 nan 0.000 0.480 179 Q N 0.496 120.374 119.800 0.129 0.000 2.227 179 Q HA 0.525 4.226 4.340 -1.065 0.000 0.245 179 Q C -0.113 175.956 176.000 0.115 0.000 0.926 179 Q CA -0.345 55.525 55.803 0.111 0.000 0.895 179 Q CB 1.824 30.592 28.738 0.050 0.000 1.230 179 Q HN 0.359 nan 8.270 nan 0.000 0.450 180 I N 1.489 122.099 120.570 0.066 0.000 2.428 180 I HA 0.208 3.739 4.170 -1.065 0.000 0.289 180 I C -0.016 176.124 176.117 0.038 0.000 1.019 180 I CA -0.726 60.593 61.300 0.032 0.000 1.351 180 I CB 0.912 38.894 38.000 -0.030 0.000 1.412 180 I HN 0.486 nan 8.210 nan 0.000 0.513 181 N N 3.630 122.357 118.700 0.046 0.000 2.457 181 N HA 0.113 4.214 4.740 -1.065 0.000 0.250 181 N C 0.422 175.960 175.510 0.046 0.000 0.982 181 N CA -0.375 52.711 53.050 0.060 0.000 0.941 181 N CB 1.139 39.663 38.487 0.062 0.000 1.120 181 N HN 0.593 nan 8.380 nan 0.000 0.505 182 S N 1.421 117.149 115.700 0.046 0.000 2.660 182 S HA 0.176 4.007 4.470 -1.065 0.000 0.227 182 S C 0.512 175.173 174.600 0.101 0.000 0.948 182 S CA -0.334 57.889 58.200 0.038 0.000 0.948 182 S CB -0.821 62.349 63.200 -0.049 0.000 0.779 182 S HN 0.355 nan 8.310 nan 0.000 0.487 183 V N -1.319 118.666 119.914 0.118 0.000 2.962 183 V HA 0.787 4.268 4.120 -1.065 0.000 0.313 183 V C -0.072 176.088 176.094 0.109 0.000 1.099 183 V CA -0.589 61.785 62.300 0.124 0.000 0.971 183 V CB 1.099 33.004 31.823 0.136 0.000 1.028 183 V HN 0.356 nan 8.190 nan 0.000 0.430 184 T N 0.642 115.275 114.554 0.132 0.000 2.916 184 T HA 0.183 3.894 4.350 -1.065 0.000 0.303 184 T C 1.019 175.778 174.700 0.098 0.000 1.025 184 T CA 0.547 62.739 62.100 0.152 0.000 1.142 184 T CB 0.890 69.909 68.868 0.250 0.000 0.947 184 T HN 0.909 nan 8.240 nan 0.000 0.544 185 S N 1.745 117.409 115.700 -0.060 0.000 2.515 185 S HA 0.154 3.985 4.470 -1.065 0.000 0.231 185 S C 0.176 174.641 174.600 -0.226 0.000 0.987 185 S CA 0.145 58.223 58.200 -0.203 0.000 0.936 185 S CB -0.492 62.492 63.200 -0.360 0.000 0.766 185 S HN 0.669 nan 8.310 nan 0.000 0.528 186 F N 0.727 120.783 119.950 0.176 0.000 2.371 186 F HA 0.356 4.245 4.527 -1.063 0.000 0.329 186 F C 0.555 176.506 175.800 0.252 0.000 1.107 186 F CA -0.983 57.155 58.000 0.230 0.000 1.137 186 F CB 0.439 39.575 39.000 0.227 0.000 1.214 186 F HN -0.102 nan 8.300 nan 0.000 0.536 187 L N 3.211 124.749 121.223 0.526 0.000 2.382 187 L HA 0.100 3.801 4.340 -1.065 0.000 0.259 187 L C -0.196 176.884 176.870 0.349 0.000 1.291 187 L CA 0.012 55.114 54.840 0.437 0.000 1.176 187 L CB -0.747 41.652 42.059 0.566 0.000 1.373 187 L HN 0.698 nan 8.230 nan 0.000 0.426 188 D N 1.563 122.140 120.400 0.294 0.000 2.593 188 D HA 0.150 4.151 4.640 -1.065 0.000 0.241 188 D C 0.691 177.117 176.300 0.210 0.000 1.257 188 D CA -0.057 54.075 54.000 0.221 0.000 0.828 188 D CB 0.473 41.384 40.800 0.185 0.000 1.049 188 D HN 0.251 nan 8.370 nan 0.000 0.490 189 A N 0.831 123.776 122.820 0.209 0.000 2.362 189 A HA -0.126 3.555 4.320 -1.065 0.000 0.290 189 A C 1.199 178.925 177.584 0.237 0.000 1.441 189 A CA 0.978 53.137 52.037 0.204 0.000 0.743 189 A CB -2.253 16.910 19.000 0.273 0.000 1.125 189 A HN 0.783 nan 8.150 nan 0.000 0.378 190 S N -0.791 115.015 115.700 0.177 0.000 2.554 190 S HA 0.311 4.142 4.470 -1.065 0.000 0.226 190 S C 1.305 175.967 174.600 0.103 0.000 0.980 190 S CA 0.350 58.656 58.200 0.177 0.000 0.939 190 S CB -0.486 62.820 63.200 0.177 0.000 0.832 190 S HN 1.552 nan 8.310 nan 0.000 0.486 191 L N -1.556 119.704 121.223 0.060 0.000 2.395 191 L HA 0.280 3.980 4.340 -1.065 0.000 0.218 191 L C 1.701 178.612 176.870 0.067 0.000 1.130 191 L CA 0.372 55.248 54.840 0.060 0.000 0.826 191 L CB -0.551 41.519 42.059 0.017 0.000 0.941 191 L HN 0.160 nan 8.230 nan 0.000 0.451 192 V N -0.666 119.202 119.914 -0.077 0.000 2.490 192 V HA -0.072 3.409 4.120 -1.065 0.000 0.238 192 V C 1.996 177.857 176.094 -0.389 0.000 1.056 192 V CA 1.012 63.134 62.300 -0.298 0.000 1.075 192 V CB -0.504 30.945 31.823 -0.624 0.000 0.746 192 V HN 0.278 nan 8.190 nan 0.000 0.479 193 Y N 1.342 121.675 120.300 0.056 0.000 2.583 193 Y HA 0.453 4.364 4.550 -1.064 0.000 0.293 193 Y C 1.434 177.385 175.900 0.085 0.000 1.157 193 Y CA 0.498 58.646 58.100 0.080 0.000 1.315 193 Y CB -0.691 37.809 38.460 0.066 0.000 1.021 193 Y HN 0.394 nan 8.280 nan 0.000 0.536 194 G N -0.374 108.511 108.800 0.142 0.000 2.781 194 G HA2 -0.188 3.132 3.960 -1.065 0.000 0.683 194 G HA3 -0.188 3.132 3.960 -1.065 0.000 0.683 194 G C 0.291 175.270 174.900 0.132 0.000 1.390 194 G CA -0.189 44.980 45.100 0.115 0.000 0.850 194 G HN 0.080 nan 8.290 nan 0.000 0.557 195 S N 0.572 116.334 115.700 0.105 0.000 2.663 195 S HA 0.356 4.187 4.470 -1.065 0.000 0.243 195 S C 0.214 174.863 174.600 0.082 0.000 1.009 195 S CA 0.359 58.620 58.200 0.102 0.000 0.988 195 S CB 0.190 63.450 63.200 0.101 0.000 0.896 195 S HN 0.548 nan 8.310 nan 0.000 0.502 196 E N 0.871 121.116 120.200 0.074 0.000 2.292 196 E HA 0.259 3.970 4.350 -1.065 0.000 0.272 196 E C -2.321 174.312 176.600 0.054 0.000 0.881 196 E CA -2.212 54.221 56.400 0.055 0.000 0.754 196 E CB 1.868 31.591 29.700 0.038 0.000 1.201 196 E HN -0.192 nan 8.360 nan 0.000 0.425 197 P HA -0.300 nan 4.420 nan 0.000 0.215 197 P C 1.477 178.794 177.300 0.028 0.000 1.163 197 P CA 1.980 65.104 63.100 0.040 0.000 0.894 197 P CB 0.139 31.859 31.700 0.032 0.000 0.791 198 S N -1.013 114.699 115.700 0.019 0.000 2.368 198 S HA -0.155 3.675 4.470 -1.065 0.000 0.225 198 S C 1.886 176.492 174.600 0.009 0.000 1.030 198 S CA 1.297 59.502 58.200 0.009 0.000 0.999 198 S CB -1.561 61.642 63.200 0.006 0.000 0.844 198 S HN 0.031 nan 8.310 nan 0.000 0.459 199 L N 2.458 123.692 121.223 0.019 0.000 2.068 199 L HA 0.362 4.063 4.340 -1.065 0.000 0.204 199 L C 2.628 179.514 176.870 0.026 0.000 1.076 199 L CA 1.591 56.443 54.840 0.019 0.000 0.753 199 L CB -1.602 40.472 42.059 0.025 0.000 0.910 199 L HN 0.293 nan 8.230 nan 0.000 0.439 200 A N -0.253 122.598 122.820 0.051 0.000 1.971 200 A HA -0.341 3.340 4.320 -1.065 0.000 0.222 200 A C 2.533 180.134 177.584 0.028 0.000 1.182 200 A CA 2.939 55.029 52.037 0.087 0.000 0.649 200 A CB -1.347 17.726 19.000 0.122 0.000 0.818 200 A HN 0.752 nan 8.150 nan 0.000 0.458 201 S N -0.174 115.517 115.700 -0.015 0.000 2.348 201 S HA -0.202 3.628 4.470 -1.065 0.000 0.219 201 S C 2.075 176.638 174.600 -0.062 0.000 1.033 201 S CA 1.237 59.396 58.200 -0.068 0.000 0.974 201 S CB -0.566 62.603 63.200 -0.053 0.000 0.868 201 S HN 0.677 nan 8.310 nan 0.000 0.459 202 R N 0.210 120.690 120.500 -0.033 0.000 2.170 202 R HA -0.013 3.688 4.340 -1.065 0.000 0.242 202 R C 1.906 178.186 176.300 -0.032 0.000 1.145 202 R CA 1.276 57.361 56.100 -0.027 0.000 0.984 202 R CB -0.570 29.722 30.300 -0.013 0.000 0.869 202 R HN 0.422 nan 8.270 nan 0.000 0.455 203 L N 1.000 122.205 121.223 -0.031 0.000 2.551 203 L HA 0.087 3.788 4.340 -1.065 0.000 0.228 203 L C 0.188 177.022 176.870 -0.061 0.000 1.153 203 L CA 1.143 55.960 54.840 -0.039 0.000 0.851 203 L CB -0.306 41.743 42.059 -0.017 0.000 0.959 203 L HN 0.143 nan 8.230 nan 0.000 0.451 204 R N -0.599 119.857 120.500 -0.073 0.000 2.668 204 R HA 0.297 3.998 4.340 -1.065 0.000 0.279 204 R C -0.108 176.152 176.300 -0.067 0.000 0.976 204 R CA -0.762 55.283 56.100 -0.093 0.000 0.978 204 R CB 0.513 30.705 30.300 -0.180 0.000 1.133 204 R HN -0.143 nan 8.270 nan 0.000 0.484 205 N N 2.612 121.285 118.700 -0.046 0.000 2.602 205 N HA 0.090 4.191 4.740 -1.065 0.000 0.238 205 N C 0.042 175.538 175.510 -0.022 0.000 1.084 205 N CA -0.077 52.961 53.050 -0.020 0.000 0.952 205 N CB 0.470 38.960 38.487 0.005 0.000 1.244 205 N HN 0.622 nan 8.380 nan 0.000 0.512 206 L N 1.211 122.414 121.223 -0.033 0.000 2.591 206 L HA 0.070 3.771 4.340 -1.065 0.000 0.228 206 L C 1.244 178.107 176.870 -0.012 0.000 1.133 206 L CA 0.155 54.975 54.840 -0.034 0.000 0.880 206 L CB -0.057 41.972 42.059 -0.050 0.000 1.033 206 L HN 0.363 nan 8.230 nan 0.000 0.450 207 S N -0.908 114.790 115.700 -0.002 0.000 2.727 207 S HA 0.039 3.870 4.470 -1.065 0.000 0.226 207 S C 0.678 175.286 174.600 0.013 0.000 0.963 207 S CA 0.159 58.363 58.200 0.007 0.000 0.950 207 S CB -0.364 62.842 63.200 0.011 0.000 0.779 207 S HN 0.489 nan 8.310 nan 0.000 0.532 208 S N -0.007 115.702 115.700 0.015 0.000 2.588 208 S HA 0.535 4.366 4.470 -1.065 0.000 0.269 208 S C -2.970 171.646 174.600 0.026 0.000 1.157 208 S CA -1.050 57.164 58.200 0.024 0.000 0.824 208 S CB 1.207 64.426 63.200 0.032 0.000 1.126 208 S HN -0.143 nan 8.310 nan 0.000 0.464 209 P HA 0.300 nan 4.420 nan 0.000 0.230 209 P C 1.105 178.437 177.300 0.053 0.000 1.168 209 P CA 0.473 63.598 63.100 0.041 0.000 0.793 209 P CB -0.045 31.682 31.700 0.045 0.000 0.851 210 L N -1.675 119.580 121.223 0.054 0.000 2.551 210 L HA 0.113 3.814 4.340 -1.065 0.000 0.228 210 L C 0.983 177.904 176.870 0.085 0.000 1.153 210 L CA 0.552 55.431 54.840 0.066 0.000 0.851 210 L CB -1.378 40.717 42.059 0.060 0.000 0.959 210 L HN 0.037 nan 8.230 nan 0.000 0.451 211 G N 1.268 110.118 108.800 0.083 0.000 2.381 211 G HA2 -0.239 3.082 3.960 -1.065 0.000 0.281 211 G HA3 -0.239 3.082 3.960 -1.065 0.000 0.281 211 G C -0.390 174.639 174.900 0.216 0.000 0.984 211 G CA 0.048 45.219 45.100 0.119 0.000 1.339 211 G HN 0.247 nan 8.290 nan 0.000 0.485 212 L N 1.200 122.531 121.223 0.180 0.000 2.303 212 L HA 0.721 4.422 4.340 -1.065 0.000 0.256 212 L C 0.495 177.420 176.870 0.092 0.000 1.034 212 L CA -1.644 53.337 54.840 0.235 0.000 0.832 212 L CB 1.489 43.637 42.059 0.148 0.000 1.403 212 L HN 0.108 nan 8.230 nan 0.000 0.419 213 M N 1.313 120.900 119.600 -0.022 0.000 2.274 213 M HA 0.388 4.229 4.480 -1.065 0.000 0.344 213 M C 0.175 176.430 176.300 -0.074 0.000 1.161 213 M CA -0.379 54.846 55.300 -0.125 0.000 1.126 213 M CB 1.227 33.672 32.600 -0.257 0.000 1.522 213 M HN 0.725 nan 8.290 nan 0.000 0.461 214 A N 3.138 125.911 122.820 -0.078 0.000 2.450 214 A HA 0.498 4.179 4.320 -1.065 0.000 0.255 214 A C 0.171 177.689 177.584 -0.110 0.000 1.096 214 A CA -0.562 51.436 52.037 -0.066 0.000 0.778 214 A CB 0.018 18.986 19.000 -0.054 0.000 1.031 214 A HN 0.792 nan 8.150 nan 0.000 0.494 215 V N 1.514 121.365 119.914 -0.106 0.000 3.193 215 V HA 0.499 3.980 4.120 -1.065 0.000 0.320 215 V C 0.407 176.384 176.094 -0.196 0.000 1.112 215 V CA -1.369 60.809 62.300 -0.204 0.000 1.026 215 V CB 1.480 33.137 31.823 -0.276 0.000 1.128 215 V HN 0.861 nan 8.190 nan 0.000 0.452 216 N N 1.672 120.177 118.700 -0.324 0.000 2.475 216 N HA 0.111 4.212 4.740 -1.065 0.000 0.267 216 N C 0.400 175.851 175.510 -0.098 0.000 1.169 216 N CA -0.051 52.825 53.050 -0.290 0.000 0.947 216 N CB 1.463 39.670 38.487 -0.466 0.000 1.061 216 N HN 0.748 nan 8.380 nan 0.000 0.466 217 Q N 2.278 122.101 119.800 0.038 0.000 2.392 217 Q HA 0.050 3.751 4.340 -1.065 0.000 0.203 217 Q C 0.453 176.583 176.000 0.216 0.000 0.917 217 Q CA 0.595 56.508 55.803 0.183 0.000 0.939 217 Q CB 0.425 29.243 28.738 0.134 0.000 1.063 217 Q HN 0.630 nan 8.270 nan 0.000 0.516 218 E N 0.211 120.532 120.200 0.201 0.000 2.415 218 E HA 0.257 3.968 4.350 -1.065 0.000 0.197 218 E C -0.283 176.494 176.600 0.295 0.000 1.007 218 E CA 0.283 56.844 56.400 0.267 0.000 0.890 218 E CB 0.837 30.764 29.700 0.378 0.000 0.891 218 E HN 0.190 nan 8.360 nan 0.000 0.496 219 A N -0.257 122.726 122.820 0.272 0.000 2.517 219 A HA 0.597 4.278 4.320 -1.065 0.000 0.297 219 A C -1.856 175.754 177.584 0.043 0.000 1.050 219 A CA -0.764 51.430 52.037 0.262 0.000 0.694 219 A CB 0.653 19.887 19.000 0.390 0.000 1.277 219 A HN 0.107 nan 8.150 nan 0.000 0.400 220 W N 0.176 121.350 121.300 -0.210 0.000 2.850 220 W HA 0.632 4.656 4.660 -1.060 0.000 0.349 220 W C -0.755 175.402 176.519 -0.604 0.000 1.133 220 W CA 0.146 57.239 57.345 -0.420 0.000 1.117 220 W CB 1.736 31.059 29.460 -0.228 0.000 1.442 220 W HN 0.658 nan 8.180 nan 0.000 0.575 221 D N -0.133 119.994 120.400 -0.454 0.000 2.408 221 D HA 0.226 4.227 4.640 -1.065 0.000 0.261 221 D C -0.785 175.454 176.300 -0.102 0.000 1.190 221 D CA -0.395 53.367 54.000 -0.398 0.000 0.910 221 D CB -0.410 40.100 40.800 -0.485 0.000 1.097 221 D HN 0.548 nan 8.370 nan 0.000 0.522 222 H N 2.443 121.519 119.070 0.010 0.000 2.592 222 H HA -0.138 3.778 4.556 -1.066 0.000 0.323 222 H C 1.228 176.626 175.328 0.115 0.000 1.117 222 H CA 0.929 57.019 56.048 0.071 0.000 1.120 222 H CB -1.059 28.755 29.762 0.086 0.000 1.561 222 H HN 0.783 nan 8.280 nan 0.000 0.409 223 G N -0.200 108.726 108.800 0.209 0.000 2.221 223 G HA2 -0.286 3.035 3.960 -1.065 0.000 0.265 223 G HA3 -0.286 3.035 3.960 -1.065 0.000 0.265 223 G C -0.013 175.123 174.900 0.393 0.000 1.041 223 G CA 0.510 45.735 45.100 0.208 0.000 0.807 223 G HN 0.532 nan 8.290 nan 0.000 0.502 224 L N -0.976 120.517 121.223 0.451 0.000 2.350 224 L HA 0.826 4.527 4.340 -1.065 0.000 0.260 224 L C 0.798 177.476 176.870 -0.319 0.000 1.015 224 L CA -0.875 54.075 54.840 0.183 0.000 0.821 224 L CB 1.943 43.969 42.059 -0.055 0.000 1.370 224 L HN 0.303 nan 8.230 nan 0.000 0.416 225 A N 1.088 123.585 122.820 -0.538 0.000 2.406 225 A HA 0.455 4.136 4.320 -1.065 0.000 0.243 225 A C -1.175 176.102 177.584 -0.512 0.000 1.082 225 A CA 0.395 51.918 52.037 -0.857 0.000 0.786 225 A CB 0.226 18.924 19.000 -0.502 0.000 1.029 225 A HN 0.641 nan 8.150 nan 0.000 0.495 226 Y N 0.336 120.200 120.300 -0.727 0.000 2.588 226 Y HA 0.405 4.317 4.550 -1.062 0.000 0.343 226 Y C -2.139 173.292 175.900 -0.782 0.000 1.065 226 Y CA -2.441 55.256 58.100 -0.672 0.000 1.038 226 Y CB 2.981 41.091 38.460 -0.583 0.000 1.297 226 Y HN 0.534 nan 8.280 nan 0.000 0.467 227 P HA 0.216 nan 4.420 nan 0.000 0.276 227 P C -2.882 173.982 177.300 -0.727 0.000 1.261 227 P CA -1.968 60.677 63.100 -0.759 0.000 0.800 227 P CB 0.769 32.006 31.700 -0.772 0.000 1.066 228 P HA 0.235 nan 4.420 nan 0.000 0.278 228 P C -0.366 176.870 177.300 -0.106 0.000 1.238 228 P CA -0.065 62.853 63.100 -0.303 0.000 0.794 228 P CB 0.169 31.777 31.700 -0.152 0.000 0.955 229 F N 0.752 120.804 119.950 0.169 0.000 2.485 229 F HA 0.179 4.066 4.527 -1.067 0.000 0.327 229 F C 1.414 177.273 175.800 0.099 0.000 1.203 229 F CA 0.134 58.245 58.000 0.185 0.000 1.295 229 F CB -0.237 38.841 39.000 0.130 0.000 1.191 229 F HN 0.276 nan 8.300 nan 0.000 0.588 230 N N 1.034 119.914 118.700 0.299 0.000 2.438 230 N HA 0.190 4.291 4.740 -1.065 0.000 0.282 230 N C 0.631 176.208 175.510 0.111 0.000 1.037 230 N CA -0.269 52.873 53.050 0.153 0.000 0.942 230 N CB 0.625 39.179 38.487 0.112 0.000 1.136 230 N HN 0.393 nan 8.380 nan 0.000 0.481 231 N N 2.728 121.474 118.700 0.077 0.000 2.007 231 N HA -0.204 3.897 4.740 -1.065 0.000 0.197 231 N C 0.247 175.770 175.510 0.022 0.000 1.050 231 N CA 1.004 54.083 53.050 0.048 0.000 0.856 231 N CB -0.506 38.000 38.487 0.031 0.000 1.050 231 N HN 0.758 nan 8.380 nan 0.000 0.423 232 M N 1.233 120.839 119.600 0.010 0.000 2.198 232 M HA -0.233 3.608 4.480 -1.065 0.000 0.561 232 M C -0.835 175.450 176.300 -0.024 0.000 1.329 232 M CA 0.492 55.785 55.300 -0.013 0.000 0.671 232 M CB 0.239 32.829 32.600 -0.017 0.000 1.882 232 M HN -0.115 nan 8.290 nan 0.000 0.559 233 K N 6.925 127.305 120.400 -0.032 0.000 2.185 233 K HA 0.462 4.143 4.320 -1.065 0.000 0.271 233 K C -2.038 174.526 176.600 -0.060 0.000 1.013 233 K CA -1.256 55.007 56.287 -0.039 0.000 0.943 233 K CB 0.324 32.803 32.500 -0.035 0.000 0.998 233 K HN 0.536 nan 8.250 nan 0.000 0.468 234 P HA -0.132 nan 4.420 nan 0.000 0.014 234 P C -1.279 175.957 177.300 -0.107 0.000 0.563 234 P CA 0.444 63.483 63.100 -0.103 0.000 1.035 234 P CB -0.595 31.032 31.700 -0.121 0.000 1.909 235 S N 0.664 116.324 115.700 -0.066 0.000 2.565 235 S HA 0.484 4.315 4.470 -1.065 0.000 0.274 235 S C -1.014 173.565 174.600 -0.035 0.000 1.309 235 S CA -1.213 56.955 58.200 -0.052 0.000 1.043 235 S CB 0.841 64.026 63.200 -0.025 0.000 0.939 235 S HN -0.031 nan 8.310 nan 0.000 0.504 236 P HA 0.143 nan 4.420 nan 0.000 0.219 236 P C 1.271 178.643 177.300 0.120 0.000 1.154 236 P CA 0.463 63.541 63.100 -0.036 0.000 0.826 236 P CB -0.028 31.385 31.700 -0.477 0.000 0.795 237 c N 0.032 118.685 118.600 0.089 0.000 2.413 237 c HA -0.137 3.793 4.570 -1.065 0.000 0.277 237 c C 2.503 176.650 174.090 0.096 0.000 1.265 237 c CA 1.084 57.486 56.329 0.122 0.000 1.752 237 c CB -1.510 41.035 42.510 0.059 0.000 1.998 237 c HN 0.356 nan 8.230 nan 0.000 0.489 238 E N -0.478 119.759 120.200 0.062 0.000 2.072 238 E HA -0.149 3.561 4.350 -1.065 0.000 0.190 238 E C 1.877 178.532 176.600 0.092 0.000 0.982 238 E CA 0.869 57.289 56.400 0.033 0.000 0.803 238 E CB -0.309 29.394 29.700 0.005 0.000 0.755 238 E HN 0.658 nan 8.360 nan 0.000 0.453 239 F N 2.076 122.022 119.950 -0.007 0.000 2.120 239 F HA -0.265 3.621 4.527 -1.068 0.000 0.300 239 F C 1.941 177.745 175.800 0.006 0.000 1.095 239 F CA 0.996 59.003 58.000 0.013 0.000 1.249 239 F CB -0.193 38.849 39.000 0.070 0.000 0.995 239 F HN -0.061 nan 8.300 nan 0.000 0.480 240 I N 0.279 120.844 120.570 -0.009 0.000 2.065 240 I HA -0.351 3.180 4.170 -1.065 0.000 0.236 240 I C 1.071 177.077 176.117 -0.185 0.000 1.028 240 I CA 1.771 62.999 61.300 -0.121 0.000 1.299 240 I CB -1.354 36.692 38.000 0.076 0.000 1.015 240 I HN 0.219 nan 8.210 nan 0.000 0.396 241 N N 0.416 119.035 118.700 -0.135 0.000 2.573 241 N HA 0.066 4.167 4.740 -1.065 0.000 0.262 241 N C 0.866 176.214 175.510 -0.271 0.000 1.029 241 N CA 0.354 53.226 53.050 -0.296 0.000 0.882 241 N CB 1.391 39.505 38.487 -0.623 0.000 1.204 241 N HN 0.229 nan 8.380 nan 0.000 0.519 242 T N -0.045 114.380 114.554 -0.216 0.000 2.821 242 T HA -0.113 3.598 4.350 -1.065 0.000 0.267 242 T C 1.621 176.215 174.700 -0.178 0.000 1.046 242 T CA 1.483 63.493 62.100 -0.149 0.000 1.139 242 T CB -0.284 68.524 68.868 -0.100 0.000 0.871 242 T HN 0.346 nan 8.240 nan 0.000 0.454 243 T N 2.305 116.721 114.554 -0.230 0.000 2.652 243 T HA 0.016 3.726 4.350 -1.065 0.000 0.267 243 T C 2.483 177.035 174.700 -0.247 0.000 1.039 243 T CA 1.511 63.477 62.100 -0.224 0.000 1.153 243 T CB -0.879 67.837 68.868 -0.254 0.000 0.863 243 T HN 0.609 nan 8.240 nan 0.000 0.428 244 A N 0.556 123.154 122.820 -0.370 0.000 1.855 244 A HA 0.080 3.761 4.320 -1.065 0.000 0.215 244 A C 1.337 178.794 177.584 -0.213 0.000 1.191 244 A CA 1.456 53.288 52.037 -0.341 0.000 0.613 244 A CB -0.478 18.172 19.000 -0.585 0.000 0.829 244 A HN 0.510 nan 8.150 nan 0.000 0.442 245 R N -1.793 118.583 120.500 -0.207 0.000 3.144 245 R HA -0.118 3.583 4.340 -1.065 0.000 0.255 245 R C -1.514 174.684 176.300 -0.170 0.000 0.949 245 R CA 0.447 56.457 56.100 -0.149 0.000 0.649 245 R CB -1.827 28.398 30.300 -0.125 0.000 1.229 245 R HN 0.253 nan 8.270 nan 0.000 0.440 246 V N 3.520 123.340 119.914 -0.157 0.000 2.378 246 V HA 0.444 3.925 4.120 -1.065 0.000 0.288 246 V C -1.432 174.504 176.094 -0.263 0.000 1.016 246 V CA -1.452 60.700 62.300 -0.246 0.000 0.840 246 V CB 1.714 33.481 31.823 -0.093 0.000 0.994 246 V HN 0.308 nan 8.190 nan 0.000 0.431 247 P HA 0.131 nan 4.420 nan 0.000 0.273 247 P C -0.060 177.177 177.300 -0.105 0.000 1.250 247 P CA -0.324 62.632 63.100 -0.240 0.000 0.793 247 P CB 0.800 32.347 31.700 -0.254 0.000 1.011 248 c N 0.699 119.306 118.600 0.013 0.000 2.689 248 c HA 0.256 4.187 4.570 -1.065 0.000 0.409 248 c C 0.898 175.107 174.090 0.199 0.000 1.293 248 c CA -0.043 56.317 56.329 0.053 0.000 2.136 248 c CB -1.376 41.193 42.510 0.099 0.000 2.719 248 c HN 0.383 nan 8.230 nan 0.000 0.644 249 F N 1.231 121.242 119.950 0.102 0.000 2.389 249 F HA 0.340 4.224 4.527 -1.071 0.000 0.337 249 F C 0.509 176.292 175.800 -0.028 0.000 1.112 249 F CA -0.339 57.676 58.000 0.025 0.000 1.192 249 F CB 0.520 39.469 39.000 -0.084 0.000 1.185 249 F HN 0.531 nan 8.300 nan 0.000 0.552 250 Q N 2.155 122.054 119.800 0.166 0.000 2.331 250 Q HA 0.657 4.358 4.340 -1.065 0.000 0.257 250 Q C -1.307 174.660 176.000 -0.055 0.000 0.957 250 Q CA -0.392 55.434 55.803 0.039 0.000 0.923 250 Q CB 1.083 29.839 28.738 0.031 0.000 1.212 250 Q HN 0.792 nan 8.270 nan 0.000 0.443 251 A N 2.451 125.220 122.820 -0.085 0.000 2.524 251 A HA 0.699 4.379 4.320 -1.065 0.000 0.286 251 A C 0.707 178.251 177.584 -0.066 0.000 1.203 251 A CA -0.280 51.685 52.037 -0.120 0.000 0.736 251 A CB 0.742 19.576 19.000 -0.278 0.000 1.322 251 A HN 0.857 nan 8.150 nan 0.000 0.424 252 G N -0.986 107.798 108.800 -0.028 0.000 2.535 252 G HA2 0.203 3.524 3.960 -1.065 0.000 0.218 252 G HA3 0.203 3.524 3.960 -1.065 0.000 0.218 252 G C 0.080 174.994 174.900 0.023 0.000 1.122 252 G CA 1.543 46.645 45.100 0.003 0.000 0.769 252 G HN 0.857 nan 8.290 nan 0.000 0.549 253 D N -2.279 118.117 120.400 -0.007 0.000 2.964 253 D HA 0.455 4.456 4.640 -1.065 0.000 0.234 253 D C 1.275 177.500 176.300 -0.125 0.000 1.223 253 D CA -0.497 53.474 54.000 -0.048 0.000 0.889 253 D CB 1.362 42.127 40.800 -0.058 0.000 1.609 253 D HN -0.147 nan 8.370 nan 0.000 0.523 254 S N 2.211 117.863 115.700 -0.080 0.000 2.404 254 S HA -0.285 3.546 4.470 -1.065 0.000 0.230 254 S C 1.603 176.108 174.600 -0.157 0.000 1.046 254 S CA 1.678 59.841 58.200 -0.060 0.000 1.135 254 S CB -0.294 62.955 63.200 0.081 0.000 1.056 254 S HN 0.610 nan 8.310 nan 0.000 0.426 255 R N 2.060 122.354 120.500 -0.342 0.000 2.316 255 R HA 0.066 3.767 4.340 -1.065 0.000 0.232 255 R C 2.104 178.258 176.300 -0.242 0.000 1.137 255 R CA 0.775 56.667 56.100 -0.346 0.000 1.012 255 R CB -0.980 28.929 30.300 -0.651 0.000 0.859 255 R HN 0.450 nan 8.270 nan 0.000 0.474 256 A N 0.813 123.458 122.820 -0.291 0.000 2.054 256 A HA -0.290 3.391 4.320 -1.065 0.000 0.225 256 A C 1.532 179.002 177.584 -0.190 0.000 1.209 256 A CA 2.263 54.039 52.037 -0.435 0.000 0.678 256 A CB -0.595 17.972 19.000 -0.721 0.000 0.823 256 A HN 0.452 nan 8.150 nan 0.000 0.484 257 S N -1.562 114.075 115.700 -0.105 0.000 2.581 257 S HA 0.307 4.138 4.470 -1.065 0.000 0.245 257 S C 0.799 175.272 174.600 -0.211 0.000 1.115 257 S CA 0.205 58.370 58.200 -0.059 0.000 1.093 257 S CB 0.639 63.856 63.200 0.028 0.000 0.853 257 S HN 0.604 nan 8.310 nan 0.000 0.479 258 E N 1.878 121.858 120.200 -0.367 0.000 2.274 258 E HA -0.115 3.596 4.350 -1.065 0.000 0.194 258 E C 0.151 176.535 176.600 -0.360 0.000 0.996 258 E CA 0.945 56.883 56.400 -0.770 0.000 0.840 258 E CB 0.230 29.626 29.700 -0.506 0.000 0.772 258 E HN 0.841 nan 8.360 nan 0.000 0.491 259 Q N -1.468 118.238 119.800 -0.157 0.000 2.386 259 Q HA 0.223 3.924 4.340 -1.065 0.000 0.274 259 Q C 0.291 176.251 176.000 -0.066 0.000 1.011 259 Q CA -0.381 55.380 55.803 -0.069 0.000 0.867 259 Q CB 0.470 29.222 28.738 0.023 0.000 1.409 259 Q HN -0.038 nan 8.270 nan 0.000 0.395 260 I N 1.045 121.556 120.570 -0.098 0.000 2.185 260 I HA -0.277 3.254 4.170 -1.065 0.000 0.246 260 I C 0.968 177.065 176.117 -0.033 0.000 1.088 260 I CA 1.605 62.850 61.300 -0.092 0.000 1.347 260 I CB 0.033 37.950 38.000 -0.140 0.000 1.041 260 I HN 0.865 nan 8.210 nan 0.000 0.415 261 L N -0.526 120.685 121.223 -0.020 0.000 2.093 261 L HA -0.151 3.549 4.340 -1.065 0.000 0.208 261 L C 2.191 179.091 176.870 0.050 0.000 1.085 261 L CA 1.623 56.475 54.840 0.021 0.000 0.755 261 L CB -1.414 40.658 42.059 0.021 0.000 0.904 261 L HN 0.365 nan 8.230 nan 0.000 0.435 262 L N -0.120 121.127 121.223 0.040 0.000 2.044 262 L HA 0.009 3.709 4.340 -1.065 0.000 0.205 262 L C 2.475 179.437 176.870 0.154 0.000 1.075 262 L CA 1.984 56.872 54.840 0.080 0.000 0.747 262 L CB -1.059 41.038 42.059 0.064 0.000 0.903 262 L HN 0.150 nan 8.230 nan 0.000 0.435 263 A N -1.397 121.487 122.820 0.108 0.000 2.024 263 A HA -0.195 3.485 4.320 -1.065 0.000 0.220 263 A C 2.188 179.875 177.584 0.171 0.000 1.164 263 A CA 2.192 54.316 52.037 0.145 0.000 0.643 263 A CB -1.179 17.883 19.000 0.103 0.000 0.806 263 A HN 0.562 nan 8.150 nan 0.000 0.451 264 T N -0.450 114.178 114.554 0.123 0.000 2.639 264 T HA -0.109 3.602 4.350 -1.065 0.000 0.261 264 T C 1.844 176.628 174.700 0.139 0.000 1.053 264 T CA 1.659 63.827 62.100 0.113 0.000 1.158 264 T CB -0.501 68.423 68.868 0.093 0.000 0.863 264 T HN 0.150 nan 8.240 nan 0.000 0.413 265 V N 1.484 121.495 119.914 0.163 0.000 2.688 265 V HA -0.180 3.300 4.120 -1.065 0.000 0.256 265 V C 2.309 178.481 176.094 0.129 0.000 1.084 265 V CA 1.424 63.842 62.300 0.197 0.000 1.103 265 V CB -0.833 31.128 31.823 0.229 0.000 0.688 265 V HN 0.590 nan 8.190 nan 0.000 0.480 266 H N 0.175 119.283 119.070 0.064 0.000 2.521 266 H HA -0.083 3.827 4.556 -1.077 0.000 0.286 266 H C 2.277 177.579 175.328 -0.043 0.000 1.034 266 H CA 1.836 57.890 56.048 0.009 0.000 1.278 266 H CB 0.199 29.957 29.762 -0.008 0.000 1.386 266 H HN 0.463 nan 8.280 nan 0.000 0.567 267 T N 0.206 114.804 114.554 0.072 0.000 2.953 267 T HA -0.031 3.680 4.350 -1.065 0.000 0.247 267 T C 2.182 176.876 174.700 -0.011 0.000 1.029 267 T CA -0.010 62.075 62.100 -0.025 0.000 1.144 267 T CB -0.073 68.772 68.868 -0.037 0.000 0.870 267 T HN 0.035 nan 8.240 nan 0.000 0.446 268 L N 1.029 122.272 121.223 0.034 0.000 2.081 268 L HA -0.063 3.637 4.340 -1.065 0.000 0.212 268 L C 2.176 179.051 176.870 0.009 0.000 1.080 268 L CA 1.283 56.132 54.840 0.015 0.000 0.754 268 L CB -1.014 41.080 42.059 0.058 0.000 0.893 268 L HN 0.178 nan 8.230 nan 0.000 0.433 269 L N -1.481 119.769 121.223 0.046 0.000 1.976 269 L HA -0.203 3.498 4.340 -1.065 0.000 0.209 269 L C 2.391 179.253 176.870 -0.013 0.000 1.071 269 L CA 1.512 56.373 54.840 0.036 0.000 0.746 269 L CB -1.081 40.980 42.059 0.002 0.000 0.890 269 L HN 0.208 nan 8.230 nan 0.000 0.432 270 L N -0.474 120.718 121.223 -0.052 0.000 2.043 270 L HA -0.253 3.448 4.340 -1.065 0.000 0.212 270 L C 2.670 179.514 176.870 -0.044 0.000 1.075 270 L CA 1.788 56.576 54.840 -0.087 0.000 0.752 270 L CB -0.465 41.512 42.059 -0.136 0.000 0.891 270 L HN 0.223 nan 8.230 nan 0.000 0.432 271 R N -0.977 119.492 120.500 -0.051 0.000 2.090 271 R HA -0.153 3.548 4.340 -1.065 0.000 0.228 271 R C 2.160 178.444 176.300 -0.027 0.000 1.110 271 R CA 1.019 57.091 56.100 -0.047 0.000 0.973 271 R CB -0.352 29.907 30.300 -0.068 0.000 0.869 271 R HN 0.331 nan 8.270 nan 0.000 0.440 272 E N 0.660 120.835 120.200 -0.041 0.000 2.097 272 E HA -0.242 3.469 4.350 -1.065 0.000 0.196 272 E C 1.662 178.247 176.600 -0.024 0.000 1.000 272 E CA 1.798 58.149 56.400 -0.082 0.000 0.804 272 E CB -0.217 29.407 29.700 -0.128 0.000 0.740 272 E HN 0.474 nan 8.360 nan 0.000 0.454 273 H N -0.167 118.881 119.070 -0.037 0.000 2.256 273 H HA -0.066 3.851 4.556 -1.066 0.000 0.299 273 H C 1.792 177.125 175.328 0.009 0.000 1.071 273 H CA 2.195 58.257 56.048 0.023 0.000 1.280 273 H CB -0.214 29.612 29.762 0.106 0.000 1.370 273 H HN 0.127 nan 8.280 nan 0.000 0.490 274 N N 0.485 119.356 118.700 0.286 0.000 2.184 274 N HA -0.198 3.902 4.740 -1.065 0.000 0.190 274 N C 2.000 177.532 175.510 0.036 0.000 1.011 274 N CA 1.208 54.366 53.050 0.181 0.000 0.867 274 N CB -0.413 38.144 38.487 0.116 0.000 0.993 274 N HN 0.440 nan 8.380 nan 0.000 0.433 275 R N 0.245 120.738 120.500 -0.012 0.000 2.064 275 R HA -0.064 3.637 4.340 -1.065 0.000 0.228 275 R C 1.800 178.041 176.300 -0.098 0.000 1.144 275 R CA 0.997 57.063 56.100 -0.055 0.000 0.932 275 R CB -0.297 29.953 30.300 -0.084 0.000 0.833 275 R HN 0.032 nan 8.270 nan 0.000 0.429 276 L N 0.879 122.009 121.223 -0.154 0.000 1.990 276 L HA -0.210 3.491 4.340 -1.065 0.000 0.213 276 L C 2.602 179.366 176.870 -0.176 0.000 1.072 276 L CA 2.249 56.964 54.840 -0.209 0.000 0.755 276 L CB -1.261 40.634 42.059 -0.275 0.000 0.889 276 L HN 0.321 nan 8.230 nan 0.000 0.432 277 A N -0.940 121.763 122.820 -0.196 0.000 1.873 277 A HA -0.283 3.398 4.320 -1.065 0.000 0.218 277 A C 2.529 180.095 177.584 -0.031 0.000 1.193 277 A CA 2.105 54.079 52.037 -0.105 0.000 0.629 277 A CB -0.611 18.345 19.000 -0.073 0.000 0.826 277 A HN 0.355 nan 8.150 nan 0.000 0.447 278 R N -0.712 119.774 120.500 -0.024 0.000 2.103 278 R HA -0.229 3.472 4.340 -1.065 0.000 0.234 278 R C 2.318 178.599 176.300 -0.032 0.000 1.132 278 R CA 2.064 58.158 56.100 -0.009 0.000 0.925 278 R CB -0.365 29.934 30.300 -0.001 0.000 0.842 278 R HN 0.642 nan 8.270 nan 0.000 0.430 279 E N 0.514 120.679 120.200 -0.059 0.000 2.065 279 E HA -0.236 3.475 4.350 -1.065 0.000 0.201 279 E C 1.936 178.486 176.600 -0.083 0.000 1.016 279 E CA 1.943 58.297 56.400 -0.077 0.000 0.818 279 E CB -0.398 29.237 29.700 -0.109 0.000 0.749 279 E HN 0.373 nan 8.360 nan 0.000 0.453 280 L N 0.165 121.336 121.223 -0.087 0.000 2.042 280 L HA -0.225 3.476 4.340 -1.065 0.000 0.210 280 L C 2.577 179.386 176.870 -0.101 0.000 1.076 280 L CA 1.695 56.485 54.840 -0.083 0.000 0.749 280 L CB -0.628 41.449 42.059 0.029 0.000 0.893 280 L HN 0.135 nan 8.230 nan 0.000 0.432 281 K N 1.189 121.569 120.400 -0.034 0.000 2.074 281 K HA -0.226 3.455 4.320 -1.065 0.000 0.209 281 K C 2.169 178.729 176.600 -0.068 0.000 1.048 281 K CA 1.839 58.109 56.287 -0.028 0.000 0.926 281 K CB -0.184 32.325 32.500 0.014 0.000 0.713 281 K HN 0.405 nan 8.250 nan 0.000 0.444 282 R N -0.025 120.438 120.500 -0.061 0.000 2.115 282 R HA 0.008 3.709 4.340 -1.065 0.000 0.226 282 R C 2.286 178.538 176.300 -0.079 0.000 1.100 282 R CA 1.263 57.330 56.100 -0.055 0.000 0.980 282 R CB -0.651 29.625 30.300 -0.038 0.000 0.875 282 R HN 0.183 nan 8.270 nan 0.000 0.445 283 L N 0.670 121.825 121.223 -0.113 0.000 2.291 283 L HA 0.020 3.721 4.340 -1.065 0.000 0.214 283 L C -0.084 176.659 176.870 -0.212 0.000 1.120 283 L CA 0.876 55.639 54.840 -0.128 0.000 0.799 283 L CB -0.020 41.969 42.059 -0.117 0.000 0.925 283 L HN 0.271 nan 8.230 nan 0.000 0.446 284 N N -1.192 117.307 118.700 -0.335 0.000 2.765 284 N HA 0.171 4.271 4.740 -1.065 0.000 0.277 284 N C -2.044 173.238 175.510 -0.380 0.000 1.750 284 N CA -1.115 51.590 53.050 -0.576 0.000 0.827 284 N CB 1.074 38.697 38.487 -1.440 0.000 1.200 284 N HN -0.181 nan 8.380 nan 0.000 0.494 285 P HA -0.229 nan 4.420 nan 0.000 0.218 285 P C 0.858 178.196 177.300 0.063 0.000 1.154 285 P CA 1.500 64.607 63.100 0.011 0.000 0.872 285 P CB 0.041 31.782 31.700 0.068 0.000 0.790 286 H N -4.593 114.490 119.070 0.020 0.000 2.533 286 H HA 0.059 3.976 4.556 -1.065 0.000 0.271 286 H C 0.523 176.005 175.328 0.256 0.000 1.000 286 H CA -0.343 55.769 56.048 0.108 0.000 1.149 286 H CB -0.839 28.981 29.762 0.097 0.000 1.375 286 H HN 0.109 nan 8.280 nan 0.000 0.582 287 W N 2.149 123.234 121.300 -0.358 0.000 1.902 287 W HA 0.203 4.223 4.660 -1.066 0.000 0.360 287 W C 0.583 177.065 176.519 -0.062 0.000 1.414 287 W CA -0.152 57.062 57.345 -0.218 0.000 1.457 287 W CB 0.176 29.527 29.460 -0.180 0.000 1.279 287 W HN 0.082 nan 8.180 nan 0.000 0.665 288 D N -1.103 119.391 120.400 0.158 0.000 2.217 288 D HA 0.311 4.312 4.640 -1.065 0.000 0.248 288 D C 1.344 177.686 176.300 0.070 0.000 1.008 288 D CA 0.084 54.130 54.000 0.077 0.000 0.914 288 D CB 1.660 42.468 40.800 0.013 0.000 1.182 288 D HN 0.386 nan 8.370 nan 0.000 0.451 289 G N 1.543 110.377 108.800 0.057 0.000 2.469 289 G HA2 -0.314 3.007 3.960 -1.065 0.000 0.219 289 G HA3 -0.314 3.007 3.960 -1.065 0.000 0.219 289 G C 1.250 176.175 174.900 0.042 0.000 1.150 289 G CA 1.331 46.462 45.100 0.051 0.000 0.763 289 G HN 0.576 nan 8.290 nan 0.000 0.561 290 E N 0.395 120.606 120.200 0.018 0.000 2.046 290 E HA -0.075 3.636 4.350 -1.065 0.000 0.190 290 E C 2.331 178.926 176.600 -0.009 0.000 0.982 290 E CA 1.389 57.795 56.400 0.010 0.000 0.800 290 E CB -0.221 29.480 29.700 0.003 0.000 0.756 290 E HN 0.260 nan 8.360 nan 0.000 0.449 291 K N -0.144 120.212 120.400 -0.072 0.000 2.113 291 K HA -0.132 3.548 4.320 -1.065 0.000 0.208 291 K C 1.775 178.253 176.600 -0.203 0.000 1.047 291 K CA 1.060 57.206 56.287 -0.236 0.000 0.928 291 K CB -0.467 31.746 32.500 -0.478 0.000 0.716 291 K HN 0.141 nan 8.250 nan 0.000 0.446 292 L N -0.052 121.163 121.223 -0.013 0.000 1.971 292 L HA -0.150 3.550 4.340 -1.065 0.000 0.215 292 L C 1.238 178.109 176.870 0.001 0.000 1.072 292 L CA 1.503 56.384 54.840 0.068 0.000 0.758 292 L CB -1.268 40.860 42.059 0.116 0.000 0.889 292 L HN 0.287 nan 8.230 nan 0.000 0.433 293 Y N 1.318 121.561 120.300 -0.095 0.000 2.426 293 Y HA 0.041 3.952 4.550 -1.065 0.000 0.344 293 Y C 1.384 177.092 175.900 -0.320 0.000 1.256 293 Y CA -0.003 58.036 58.100 -0.101 0.000 1.451 293 Y CB 0.410 38.870 38.460 -0.001 0.000 1.342 293 Y HN 0.458 nan 8.280 nan 0.000 0.600 294 Q N 0.019 119.388 119.800 -0.718 0.000 2.177 294 Q HA -0.349 3.352 4.340 -1.065 0.000 0.174 294 Q C 0.847 176.379 176.000 -0.781 0.000 0.609 294 Q CA 1.678 56.953 55.803 -0.878 0.000 1.453 294 Q CB -1.266 26.843 28.738 -1.049 0.000 1.591 294 Q HN 0.788 nan 8.270 nan 0.000 0.818 295 E N 0.231 120.142 120.200 -0.481 0.000 2.216 295 E HA 0.199 3.910 4.350 -1.065 0.000 0.192 295 E C 1.883 178.430 176.600 -0.089 0.000 0.973 295 E CA 1.069 57.365 56.400 -0.172 0.000 0.851 295 E CB 0.119 29.793 29.700 -0.043 0.000 0.804 295 E HN 0.500 nan 8.360 nan 0.000 0.477 296 A N 1.127 123.816 122.820 -0.217 0.000 1.861 296 A HA -0.077 3.604 4.320 -1.065 0.000 0.212 296 A C 2.172 179.618 177.584 -0.229 0.000 1.199 296 A CA 1.232 53.112 52.037 -0.260 0.000 0.613 296 A CB -0.435 18.301 19.000 -0.441 0.000 0.846 296 A HN 0.136 nan 8.150 nan 0.000 0.446 297 R N 0.010 120.288 120.500 -0.370 0.000 2.170 297 R HA -0.206 3.495 4.340 -1.065 0.000 0.242 297 R C 1.978 178.123 176.300 -0.259 0.000 1.145 297 R CA 2.081 57.876 56.100 -0.509 0.000 0.984 297 R CB -0.226 29.366 30.300 -1.180 0.000 0.869 297 R HN 0.507 nan 8.270 nan 0.000 0.455 298 K N 0.283 120.589 120.400 -0.156 0.000 2.021 298 K HA 0.004 3.685 4.320 -1.065 0.000 0.205 298 K C 1.991 178.779 176.600 0.314 0.000 1.047 298 K CA 1.311 57.656 56.287 0.096 0.000 0.943 298 K CB -0.054 32.534 32.500 0.146 0.000 0.725 298 K HN 0.140 nan 8.250 nan 0.000 0.439 299 I N 1.136 121.847 120.570 0.235 0.000 2.248 299 I HA -0.306 3.225 4.170 -1.065 0.000 0.248 299 I C 2.172 178.318 176.117 0.049 0.000 1.107 299 I CA 0.767 62.120 61.300 0.089 0.000 1.373 299 I CB -0.184 37.691 38.000 -0.210 0.000 1.055 299 I HN 0.257 nan 8.210 nan 0.000 0.418 300 L N 0.871 122.139 121.223 0.074 0.000 2.044 300 L HA -0.025 3.676 4.340 -1.065 0.000 0.205 300 L C 2.393 179.411 176.870 0.248 0.000 1.075 300 L CA 2.213 57.155 54.840 0.170 0.000 0.747 300 L CB -1.380 40.822 42.059 0.239 0.000 0.903 300 L HN 0.172 nan 8.230 nan 0.000 0.435 301 G N -0.824 108.095 108.800 0.199 0.000 2.459 301 G HA2 -0.326 2.995 3.960 -1.065 0.000 0.217 301 G HA3 -0.326 2.995 3.960 -1.065 0.000 0.217 301 G C 1.635 176.605 174.900 0.116 0.000 1.183 301 G CA 1.090 46.300 45.100 0.182 0.000 0.776 301 G HN 0.641 nan 8.290 nan 0.000 0.552 302 A N 0.244 123.115 122.820 0.085 0.000 1.997 302 A HA -0.078 3.603 4.320 -1.065 0.000 0.221 302 A C 2.160 179.597 177.584 -0.245 0.000 1.172 302 A CA 1.916 53.868 52.037 -0.141 0.000 0.645 302 A CB -0.557 18.337 19.000 -0.176 0.000 0.813 302 A HN 0.500 nan 8.150 nan 0.000 0.454 303 F N 1.060 120.910 119.950 -0.166 0.000 2.084 303 F HA -0.149 3.740 4.527 -1.063 0.000 0.296 303 F C 2.006 177.809 175.800 0.006 0.000 1.111 303 F CA 1.411 59.334 58.000 -0.127 0.000 1.224 303 F CB -0.271 38.696 39.000 -0.055 0.000 0.991 303 F HN 0.160 nan 8.300 nan 0.000 0.471 304 I N 0.767 121.327 120.570 -0.016 0.000 2.069 304 I HA -0.379 3.152 4.170 -1.065 0.000 0.237 304 I C 2.400 178.577 176.117 0.100 0.000 1.053 304 I CA 1.808 63.174 61.300 0.111 0.000 1.311 304 I CB -1.800 36.348 38.000 0.247 0.000 1.030 304 I HN 0.327 nan 8.210 nan 0.000 0.398 305 Q N 0.416 120.259 119.800 0.072 0.000 2.103 305 Q HA -0.248 3.453 4.340 -1.065 0.000 0.213 305 Q C 2.351 178.451 176.000 0.167 0.000 1.008 305 Q CA 2.073 57.948 55.803 0.120 0.000 0.879 305 Q CB -0.250 28.288 28.738 -0.333 0.000 0.946 305 Q HN 0.540 nan 8.270 nan 0.000 0.413 306 I N 0.382 120.844 120.570 -0.180 0.000 2.076 306 I HA -0.303 3.228 4.170 -1.065 0.000 0.237 306 I C 2.206 178.345 176.117 0.037 0.000 1.059 306 I CA 0.921 62.147 61.300 -0.125 0.000 1.317 306 I CB -0.520 37.240 38.000 -0.399 0.000 1.037 306 I HN 0.260 nan 8.210 nan 0.000 0.398 307 I N 0.754 121.231 120.570 -0.154 0.000 2.185 307 I HA -0.303 3.228 4.170 -1.065 0.000 0.246 307 I C 2.617 178.842 176.117 0.181 0.000 1.088 307 I CA 1.926 63.162 61.300 -0.107 0.000 1.347 307 I CB -1.953 35.719 38.000 -0.547 0.000 1.041 307 I HN 0.304 nan 8.210 nan 0.000 0.415 308 T N 0.589 115.356 114.554 0.355 0.000 2.777 308 T HA -0.108 3.602 4.350 -1.065 0.000 0.266 308 T C 1.676 176.516 174.700 0.232 0.000 1.040 308 T CA 1.394 63.742 62.100 0.412 0.000 1.141 308 T CB -0.257 68.839 68.868 0.380 0.000 0.868 308 T HN 0.142 nan 8.240 nan 0.000 0.444 309 F N 0.293 120.411 119.950 0.280 0.000 2.619 309 F HA 0.342 4.235 4.527 -1.056 0.000 0.293 309 F C 2.418 178.343 175.800 0.208 0.000 1.119 309 F CA 0.112 58.266 58.000 0.257 0.000 1.445 309 F CB 0.054 39.305 39.000 0.417 0.000 1.119 309 F HN -0.085 nan 8.300 nan 0.000 0.573 310 R N -0.185 120.535 120.500 0.366 0.000 2.175 310 R HA 0.011 3.712 4.340 -1.065 0.000 0.202 310 R C 0.686 177.100 176.300 0.190 0.000 1.018 310 R CA 1.160 57.416 56.100 0.260 0.000 1.029 310 R CB 0.174 30.612 30.300 0.231 0.000 0.959 310 R HN 0.109 nan 8.270 nan 0.000 0.480 311 D N -1.199 119.319 120.400 0.198 0.000 2.479 311 D HA -0.033 3.968 4.640 -1.065 0.000 0.221 311 D C 0.769 177.101 176.300 0.054 0.000 1.104 311 D CA 0.196 54.320 54.000 0.206 0.000 0.849 311 D CB 0.332 41.381 40.800 0.414 0.000 1.072 311 D HN 0.166 nan 8.370 nan 0.000 0.502 312 Y N 1.362 121.582 120.300 -0.134 0.000 2.396 312 Y HA 0.211 4.128 4.550 -1.055 0.000 0.292 312 Y C 1.941 177.757 175.900 -0.139 0.000 1.128 312 Y CA 0.687 58.622 58.100 -0.276 0.000 1.194 312 Y CB -0.138 38.211 38.460 -0.185 0.000 1.124 312 Y HN -0.227 nan 8.280 nan 0.000 0.543 313 L N 0.456 121.488 121.223 -0.318 0.000 2.131 313 L HA -0.022 3.679 4.340 -1.065 0.000 0.206 313 L C -0.787 175.895 176.870 -0.313 0.000 1.087 313 L CA 0.584 55.120 54.840 -0.508 0.000 0.767 313 L CB -1.305 40.452 42.059 -0.502 0.000 0.917 313 L HN 0.144 nan 8.230 nan 0.000 0.441 314 P HA -0.169 nan 4.420 nan 0.000 0.221 314 P C 1.402 178.627 177.300 -0.124 0.000 1.145 314 P CA 1.381 64.431 63.100 -0.083 0.000 0.795 314 P CB -0.024 31.669 31.700 -0.011 0.000 0.775 315 I N -6.478 113.972 120.570 -0.201 0.000 4.018 315 I HA 0.115 3.646 4.170 -1.065 0.000 0.337 315 I C 1.166 177.164 176.117 -0.199 0.000 1.327 315 I CA 0.124 61.297 61.300 -0.212 0.000 1.100 315 I CB 0.005 37.838 38.000 -0.279 0.000 1.025 315 I HN -0.270 nan 8.210 nan 0.000 0.396 316 V N 0.773 120.545 119.914 -0.237 0.000 2.492 316 V HA -0.001 3.479 4.120 -1.065 0.000 0.241 316 V C 2.226 178.221 176.094 -0.164 0.000 1.041 316 V CA 0.964 63.168 62.300 -0.160 0.000 1.057 316 V CB 0.020 31.659 31.823 -0.307 0.000 0.711 316 V HN 0.299 nan 8.190 nan 0.000 0.468 317 L N 0.105 121.235 121.223 -0.154 0.000 2.162 317 L HA 0.339 4.040 4.340 -1.065 0.000 0.205 317 L C 1.756 178.602 176.870 -0.039 0.000 1.086 317 L CA 1.776 56.572 54.840 -0.073 0.000 0.778 317 L CB -1.613 40.437 42.059 -0.015 0.000 0.928 317 L HN 0.496 nan 8.230 nan 0.000 0.446 318 G N -0.007 108.760 108.800 -0.056 0.000 2.556 318 G HA2 -0.386 2.934 3.960 -1.065 0.000 0.283 318 G HA3 -0.386 2.934 3.960 -1.065 0.000 0.283 318 G C 0.877 175.768 174.900 -0.015 0.000 1.177 318 G CA 0.870 45.946 45.100 -0.040 0.000 0.978 318 G HN 0.442 nan 8.290 nan 0.000 0.554 319 S N 0.636 116.329 115.700 -0.012 0.000 2.727 319 S HA 0.217 4.048 4.470 -1.065 0.000 0.226 319 S C 1.039 175.636 174.600 -0.005 0.000 0.963 319 S CA 1.628 59.822 58.200 -0.011 0.000 0.950 319 S CB 0.244 63.435 63.200 -0.016 0.000 0.779 319 S HN 0.580 nan 8.310 nan 0.000 0.532 320 E N 0.102 120.320 120.200 0.029 0.000 2.603 320 E HA 0.259 3.970 4.350 -1.065 0.000 0.211 320 E C 0.996 177.675 176.600 0.132 0.000 0.995 320 E CA -0.099 56.343 56.400 0.069 0.000 0.990 320 E CB 0.184 29.995 29.700 0.184 0.000 1.036 320 E HN 0.638 nan 8.360 nan 0.000 0.475 321 M N 0.421 120.070 119.600 0.083 0.000 2.193 321 M HA -0.104 3.737 4.480 -1.065 0.000 0.265 321 M C 1.942 178.293 176.300 0.084 0.000 1.071 321 M CA 1.612 56.977 55.300 0.109 0.000 1.140 321 M CB 0.254 32.892 32.600 0.062 0.000 1.369 321 M HN -0.084 nan 8.290 nan 0.000 0.423 322 Q N 0.057 119.869 119.800 0.021 0.000 2.119 322 Q HA -0.213 3.488 4.340 -1.065 0.000 0.201 322 Q C 2.041 177.999 176.000 -0.070 0.000 0.972 322 Q CA 1.619 57.419 55.803 -0.005 0.000 0.847 322 Q CB -0.318 28.406 28.738 -0.023 0.000 0.903 322 Q HN 0.541 nan 8.270 nan 0.000 0.433 323 K N -0.121 120.174 120.400 -0.175 0.000 2.152 323 K HA -0.186 3.495 4.320 -1.065 0.000 0.206 323 K C 1.109 177.377 176.600 -0.553 0.000 1.048 323 K CA 1.451 57.478 56.287 -0.434 0.000 0.933 323 K CB 0.059 32.186 32.500 -0.621 0.000 0.721 323 K HN 0.285 nan 8.250 nan 0.000 0.447 324 W N -0.182 121.126 121.300 0.014 0.000 2.952 324 W HA 0.304 4.329 4.660 -1.058 0.000 0.251 324 W C 0.339 176.885 176.519 0.046 0.000 1.144 324 W CA -0.614 56.745 57.345 0.024 0.000 1.551 324 W CB 0.670 30.154 29.460 0.040 0.000 0.978 324 W HN -0.219 nan 8.180 nan 0.000 0.648 325 I N 2.275 123.017 120.570 0.287 0.000 2.377 325 I HA 0.234 3.765 4.170 -1.065 0.000 0.282 325 I C -2.274 173.931 176.117 0.148 0.000 1.091 325 I CA -1.841 59.595 61.300 0.227 0.000 1.207 325 I CB 0.413 38.571 38.000 0.263 0.000 1.429 325 I HN -0.441 nan 8.210 nan 0.000 0.491 326 P HA 0.234 nan 4.420 nan 0.000 0.277 326 P C -0.587 176.765 177.300 0.086 0.000 1.276 326 P CA -0.657 62.483 63.100 0.066 0.000 0.788 326 P CB 0.535 32.256 31.700 0.035 0.000 1.114 327 R N -0.506 120.037 120.500 0.072 0.000 2.491 327 R HA 0.171 3.872 4.340 -1.065 0.000 0.283 327 R C -0.374 175.989 176.300 0.105 0.000 1.072 327 R CA -0.179 55.977 56.100 0.094 0.000 1.048 327 R CB -0.863 29.482 30.300 0.074 0.000 0.983 327 R HN 0.420 nan 8.270 nan 0.000 0.450 328 Y N 2.251 122.529 120.300 -0.036 0.000 2.721 328 Y HA -0.135 3.778 4.550 -1.063 0.000 0.329 328 Y C 0.411 176.278 175.900 -0.054 0.000 1.211 328 Y CA 0.858 58.906 58.100 -0.086 0.000 1.512 328 Y CB 0.540 38.917 38.460 -0.138 0.000 1.249 328 Y HN 0.509 nan 8.280 nan 0.000 0.549 329 Q N 5.222 124.800 119.800 -0.371 0.000 2.175 329 Q HA 0.294 3.994 4.340 -1.065 0.000 0.225 329 Q C 0.474 176.133 176.000 -0.569 0.000 0.837 329 Q CA 0.433 56.031 55.803 -0.342 0.000 1.032 329 Q CB 0.495 29.121 28.738 -0.187 0.000 1.137 329 Q HN 1.039 nan 8.270 nan 0.000 0.483 330 G N 1.301 109.308 108.800 -1.322 0.000 2.663 330 G HA2 -0.288 3.033 3.960 -1.065 0.000 0.686 330 G HA3 -0.288 3.033 3.960 -1.065 0.000 0.686 330 G C -1.048 173.506 174.900 -0.577 0.000 1.288 330 G CA -0.947 43.533 45.100 -1.034 0.000 0.836 330 G HN 0.233 nan 8.290 nan 0.000 0.584 331 Y N 1.765 121.929 120.300 -0.227 0.000 2.745 331 Y HA 0.302 4.212 4.550 -1.066 0.000 0.335 331 Y C 0.797 176.664 175.900 -0.054 0.000 1.212 331 Y CA -0.204 57.884 58.100 -0.020 0.000 1.535 331 Y CB 0.447 38.936 38.460 0.048 0.000 1.220 331 Y HN 0.575 nan 8.280 nan 0.000 0.531 332 N N 5.452 124.062 118.700 -0.150 0.000 2.801 332 N HA -0.015 4.086 4.740 -1.065 0.000 0.235 332 N C 0.579 175.811 175.510 -0.464 0.000 1.069 332 N CA -0.084 52.803 53.050 -0.270 0.000 0.946 332 N CB -0.281 38.143 38.487 -0.105 0.000 1.212 332 N HN 0.878 nan 8.380 nan 0.000 0.509 333 N N 0.622 118.779 118.700 -0.905 0.000 2.430 333 N HA -0.111 3.990 4.740 -1.065 0.000 0.186 333 N C 0.402 175.791 175.510 -0.202 0.000 1.032 333 N CA 0.955 53.549 53.050 -0.759 0.000 0.893 333 N CB 0.039 38.147 38.487 -0.631 0.000 0.957 333 N HN 0.068 nan 8.380 nan 0.000 0.442 334 S N -0.378 115.235 115.700 -0.144 0.000 2.743 334 S HA 0.192 4.023 4.470 -1.065 0.000 0.230 334 S C -0.344 174.267 174.600 0.019 0.000 0.950 334 S CA -0.509 57.676 58.200 -0.026 0.000 0.976 334 S CB -0.113 63.074 63.200 -0.021 0.000 0.779 334 S HN 0.181 nan 8.310 nan 0.000 0.487 335 V N 2.094 122.030 119.914 0.037 0.000 2.384 335 V HA 0.261 3.742 4.120 -1.065 0.000 0.287 335 V C 0.086 176.260 176.094 0.132 0.000 1.020 335 V CA -1.279 61.067 62.300 0.076 0.000 0.850 335 V CB 1.630 33.497 31.823 0.074 0.000 0.987 335 V HN 0.224 nan 8.190 nan 0.000 0.436 336 D N 7.955 128.428 120.400 0.121 0.000 2.368 336 D HA 0.055 4.056 4.640 -1.065 0.000 0.268 336 D C -1.389 174.993 176.300 0.136 0.000 1.298 336 D CA -0.961 53.126 54.000 0.144 0.000 0.938 336 D CB 1.697 42.587 40.800 0.151 0.000 1.101 336 D HN 0.347 nan 8.370 nan 0.000 0.509 337 P HA 0.024 nan 4.420 nan 0.000 0.249 337 P C 0.214 177.447 177.300 -0.113 0.000 1.229 337 P CA -0.017 63.110 63.100 0.044 0.000 0.788 337 P CB 0.475 32.253 31.700 0.129 0.000 1.072 338 R N 0.308 120.789 120.500 -0.033 0.000 2.694 338 R HA 0.246 3.947 4.340 -1.065 0.000 0.268 338 R C 0.613 176.884 176.300 -0.048 0.000 1.061 338 R CA -0.591 55.477 56.100 -0.054 0.000 1.133 338 R CB 0.411 30.727 30.300 0.026 0.000 1.020 338 R HN 0.017 nan 8.270 nan 0.000 0.475 339 I N 2.151 122.666 120.570 -0.092 0.000 2.416 339 I HA -0.006 3.525 4.170 -1.065 0.000 0.288 339 I C 1.144 177.167 176.117 -0.158 0.000 1.051 339 I CA 0.227 61.445 61.300 -0.137 0.000 1.375 339 I CB 0.739 38.705 38.000 -0.056 0.000 1.407 339 I HN 0.709 nan 8.210 nan 0.000 0.516 340 S N 5.513 120.989 115.700 -0.375 0.000 2.624 340 S HA 0.149 3.980 4.470 -1.065 0.000 0.263 340 S C 1.029 175.411 174.600 -0.364 0.000 1.287 340 S CA -0.463 57.341 58.200 -0.660 0.000 0.990 340 S CB 1.326 63.361 63.200 -1.941 0.000 0.950 340 S HN 0.654 nan 8.310 nan 0.000 0.561 341 N N 0.218 118.756 118.700 -0.270 0.000 2.109 341 N HA -0.117 3.984 4.740 -1.065 0.000 0.188 341 N C 1.806 177.304 175.510 -0.020 0.000 1.034 341 N CA 1.417 54.446 53.050 -0.034 0.000 0.846 341 N CB -0.847 37.713 38.487 0.122 0.000 1.010 341 N HN 0.508 nan 8.380 nan 0.000 0.425 342 V N 1.137 120.954 119.914 -0.162 0.000 2.453 342 V HA -0.226 3.255 4.120 -1.065 0.000 0.252 342 V C 2.123 178.134 176.094 -0.139 0.000 1.068 342 V CA 1.570 63.747 62.300 -0.205 0.000 1.070 342 V CB -0.826 30.570 31.823 -0.711 0.000 0.664 342 V HN 0.275 nan 8.190 nan 0.000 0.461 343 F N 1.989 121.704 119.950 -0.392 0.000 2.154 343 F HA -0.204 3.701 4.527 -1.037 0.000 0.301 343 F C 2.640 178.346 175.800 -0.156 0.000 1.087 343 F CA 2.285 60.110 58.000 -0.291 0.000 1.274 343 F CB -0.927 37.860 39.000 -0.355 0.000 1.009 343 F HN 0.388 nan 8.300 nan 0.000 0.485 344 T N -2.563 111.862 114.554 -0.215 0.000 3.155 344 T HA -0.130 3.580 4.350 -1.065 0.000 0.264 344 T C 1.323 175.618 174.700 -0.675 0.000 1.160 344 T CA 1.187 63.013 62.100 -0.456 0.000 1.075 344 T CB -0.956 67.608 68.868 -0.508 0.000 0.921 344 T HN 0.276 nan 8.240 nan 0.000 0.533 345 F N -0.274 119.552 119.950 -0.207 0.000 2.778 345 F HA 0.606 4.512 4.527 -1.035 0.000 0.314 345 F C 2.443 178.260 175.800 0.027 0.000 1.073 345 F CA -0.189 57.756 58.000 -0.092 0.000 1.218 345 F CB -0.162 38.797 39.000 -0.068 0.000 1.037 345 F HN 0.206 nan 8.300 nan 0.000 0.594 346 A N -0.159 122.698 122.820 0.061 0.000 1.930 346 A HA -0.103 3.578 4.320 -1.065 0.000 0.215 346 A C 1.856 179.543 177.584 0.171 0.000 1.176 346 A CA 1.012 53.091 52.037 0.070 0.000 0.632 346 A CB -0.866 18.115 19.000 -0.031 0.000 0.819 346 A HN 0.310 nan 8.150 nan 0.000 0.445 347 F N 1.155 120.911 119.950 -0.322 0.000 2.407 347 F HA 0.038 4.189 4.527 -0.627 0.000 0.299 347 F C 1.920 177.421 175.800 -0.499 0.000 1.097 347 F CA 0.359 58.123 58.000 -0.393 0.000 1.422 347 F CB -0.351 38.158 39.000 -0.818 0.000 1.067 347 F HN 0.204 nan 8.300 nan 0.000 0.539 348 R N 0.086 120.486 120.500 -0.167 0.000 2.369 348 R HA -0.153 3.548 4.340 -1.065 0.000 0.200 348 R C 1.917 178.178 176.300 -0.065 0.000 1.046 348 R CA 0.786 56.676 56.100 -0.349 0.000 1.057 348 R CB -1.041 29.129 30.300 -0.217 0.000 0.888 348 R HN 0.425 nan 8.270 nan 0.000 0.474 349 F N -0.845 119.164 119.950 0.099 0.000 2.250 349 F HA 0.006 3.942 4.527 -0.986 0.000 0.301 349 F C 1.985 177.825 175.800 0.067 0.000 1.077 349 F CA 0.935 58.979 58.000 0.074 0.000 1.348 349 F CB -1.012 38.019 39.000 0.052 0.000 1.040 349 F HN -0.124 nan 8.300 nan 0.000 0.509 350 G N -0.732 107.570 108.800 -0.829 0.000 2.535 350 G HA2 -0.215 3.106 3.960 -1.065 0.000 0.218 350 G HA3 -0.215 3.106 3.960 -1.065 0.000 0.218 350 G C 1.215 176.039 174.900 -0.127 0.000 1.122 350 G CA 0.765 45.538 45.100 -0.546 0.000 0.769 350 G HN 0.624 nan 8.290 nan 0.000 0.549 351 H N -0.611 118.426 119.070 -0.054 0.000 2.521 351 H HA 0.151 4.079 4.556 -1.046 0.000 0.286 351 H C 1.889 177.298 175.328 0.135 0.000 1.034 351 H CA 0.339 56.423 56.048 0.059 0.000 1.278 351 H CB 0.114 29.988 29.762 0.187 0.000 1.386 351 H HN 0.339 nan 8.280 nan 0.000 0.567 352 M N 0.170 119.929 119.600 0.265 0.000 2.549 352 M HA 0.063 3.904 4.480 -1.065 0.000 0.273 352 M C 0.125 176.534 176.300 0.181 0.000 1.213 352 M CA 0.555 55.987 55.300 0.221 0.000 0.976 352 M CB 0.653 33.360 32.600 0.179 0.000 1.457 352 M HN 0.240 nan 8.290 nan 0.000 0.485 353 E N 0.078 120.371 120.200 0.154 0.000 2.630 353 E HA 0.156 3.866 4.350 -1.065 0.000 0.218 353 E C -0.338 176.339 176.600 0.128 0.000 0.977 353 E CA -0.082 56.404 56.400 0.142 0.000 1.038 353 E CB 1.312 31.075 29.700 0.105 0.000 1.051 353 E HN 0.144 nan 8.360 nan 0.000 0.487 354 V N 4.999 124.993 119.914 0.134 0.000 2.389 354 V HA 0.172 3.652 4.120 -1.065 0.000 0.264 354 V C -1.879 174.304 176.094 0.149 0.000 1.049 354 V CA -1.607 60.769 62.300 0.127 0.000 0.932 354 V CB 0.337 32.237 31.823 0.128 0.000 1.011 354 V HN 0.046 nan 8.190 nan 0.000 0.475 355 P HA 0.114 nan 4.420 nan 0.000 0.274 355 P C 0.998 178.372 177.300 0.123 0.000 1.237 355 P CA -0.136 63.047 63.100 0.139 0.000 0.793 355 P CB 1.149 32.922 31.700 0.122 0.000 0.977 356 S N 0.673 116.449 115.700 0.126 0.000 2.400 356 S HA -0.073 3.758 4.470 -1.065 0.000 0.232 356 S C 1.030 175.670 174.600 0.066 0.000 1.025 356 S CA 1.457 59.715 58.200 0.097 0.000 0.993 356 S CB -1.234 62.020 63.200 0.091 0.000 0.808 356 S HN 0.816 nan 8.310 nan 0.000 0.478 357 T N -1.988 112.600 114.554 0.057 0.000 2.907 357 T HA 0.726 4.437 4.350 -1.065 0.000 0.290 357 T C -1.033 173.677 174.700 0.017 0.000 1.066 357 T CA -0.842 61.274 62.100 0.027 0.000 1.012 357 T CB 1.888 70.774 68.868 0.029 0.000 1.184 357 T HN 0.040 nan 8.240 nan 0.000 0.522 358 V N 1.747 121.652 119.914 -0.014 0.000 2.483 358 V HA 0.614 4.095 4.120 -1.065 0.000 0.297 358 V C 0.113 176.196 176.094 -0.018 0.000 1.027 358 V CA -0.574 61.716 62.300 -0.017 0.000 0.855 358 V CB 1.794 33.583 31.823 -0.057 0.000 0.995 358 V HN 1.126 nan 8.190 nan 0.000 0.424 359 S N 3.833 119.537 115.700 0.006 0.000 2.713 359 S HA 0.772 4.603 4.470 -1.065 0.000 0.283 359 S C -0.387 174.210 174.600 -0.004 0.000 1.161 359 S CA -0.667 57.536 58.200 0.005 0.000 0.999 359 S CB 1.200 64.418 63.200 0.030 0.000 1.039 359 S HN 0.669 nan 8.310 nan 0.000 0.548 360 R N 1.263 121.755 120.500 -0.013 0.000 2.502 360 R HA 0.523 4.224 4.340 -1.065 0.000 0.298 360 R C -1.502 174.776 176.300 -0.037 0.000 1.018 360 R CA -0.176 55.908 56.100 -0.027 0.000 0.899 360 R CB 0.938 31.215 30.300 -0.039 0.000 1.181 360 R HN 0.459 nan 8.270 nan 0.000 0.444 361 L N 1.469 122.654 121.223 -0.063 0.000 2.334 361 L HA 0.526 4.227 4.340 -1.065 0.000 0.276 361 L C -0.126 176.639 176.870 -0.175 0.000 1.014 361 L CA -1.166 53.606 54.840 -0.113 0.000 0.815 361 L CB 1.721 43.699 42.059 -0.135 0.000 1.268 361 L HN 0.511 nan 8.230 nan 0.000 0.428 362 D N 1.161 121.465 120.400 -0.161 0.000 2.339 362 D HA -0.009 3.992 4.640 -1.065 0.000 0.245 362 D C 1.068 177.225 176.300 -0.238 0.000 1.115 362 D CA -0.247 53.662 54.000 -0.152 0.000 0.917 362 D CB 1.055 41.798 40.800 -0.094 0.000 1.192 362 D HN 0.588 nan 8.370 nan 0.000 0.428 363 E N 1.798 121.881 120.200 -0.195 0.000 2.483 363 E HA -0.241 3.470 4.350 -1.065 0.000 0.205 363 E C 0.116 176.584 176.600 -0.220 0.000 1.075 363 E CA 0.766 57.029 56.400 -0.228 0.000 0.889 363 E CB -0.657 28.974 29.700 -0.115 0.000 0.816 363 E HN 0.509 nan 8.360 nan 0.000 0.567 364 N N -0.452 118.123 118.700 -0.209 0.000 2.234 364 N HA 0.068 4.169 4.740 -1.065 0.000 0.227 364 N C -0.986 174.304 175.510 -0.366 0.000 1.151 364 N CA -0.305 52.644 53.050 -0.169 0.000 0.865 364 N CB 0.229 38.697 38.487 -0.033 0.000 1.066 364 N HN 0.037 nan 8.380 nan 0.000 0.515 365 Y N 0.450 120.439 120.300 -0.519 0.000 3.234 365 Y HA -0.260 3.650 4.550 -1.067 0.000 0.207 365 Y C -0.268 175.453 175.900 -0.297 0.000 1.316 365 Y CA 0.358 58.161 58.100 -0.495 0.000 1.309 365 Y CB -1.558 36.353 38.460 -0.915 0.000 1.408 365 Y HN 0.241 nan 8.280 nan 0.000 0.544 366 Q N 0.007 119.743 119.800 -0.107 0.000 2.345 366 Q HA 0.448 4.149 4.340 -1.065 0.000 0.268 366 Q C -2.386 173.587 176.000 -0.044 0.000 1.054 366 Q CA -2.389 53.385 55.803 -0.047 0.000 0.835 366 Q CB 1.639 30.355 28.738 -0.037 0.000 1.339 366 Q HN -0.063 nan 8.270 nan 0.000 0.447 367 P HA -0.045 nan 4.420 nan 0.000 0.258 367 P C -0.525 176.760 177.300 -0.025 0.000 1.187 367 P CA 0.326 63.416 63.100 -0.016 0.000 0.767 367 P CB 0.104 31.803 31.700 -0.002 0.000 0.770 368 R N 3.439 123.918 120.500 -0.034 0.000 2.230 368 R HA 0.676 4.377 4.340 -1.065 0.000 0.337 368 R C 0.052 176.341 176.300 -0.017 0.000 1.063 368 R CA -0.381 55.701 56.100 -0.031 0.000 0.935 368 R CB -0.139 30.134 30.300 -0.045 0.000 1.121 368 R HN 0.626 nan 8.270 nan 0.000 0.486 369 G N 3.768 112.562 108.800 -0.010 0.000 2.440 369 G HA2 -0.134 3.187 3.960 -1.065 0.000 0.684 369 G HA3 -0.134 3.187 3.960 -1.065 0.000 0.684 369 G C -1.991 172.909 174.900 -0.001 0.000 1.309 369 G CA -0.540 44.559 45.100 -0.003 0.000 0.931 369 G HN 0.420 nan 8.290 nan 0.000 0.612 370 P HA 0.060 nan 4.420 nan 0.000 0.223 370 P C 0.338 177.640 177.300 0.003 0.000 1.151 370 P CA 1.332 64.435 63.100 0.005 0.000 0.787 370 P CB 0.241 31.947 31.700 0.009 0.000 0.788 371 E N -0.745 119.455 120.200 0.000 0.000 3.909 371 E HA 0.422 4.133 4.350 -1.065 0.000 0.236 371 E C 0.501 177.090 176.600 -0.018 0.000 1.222 371 E CA -0.305 56.091 56.400 -0.006 0.000 1.205 371 E CB 0.976 30.675 29.700 -0.002 0.000 1.249 371 E HN 0.001 nan 8.360 nan 0.000 0.411 372 A N 1.322 124.133 122.820 -0.015 0.000 1.872 372 A HA -0.057 3.624 4.320 -1.065 0.000 0.214 372 A C 1.103 178.672 177.584 -0.024 0.000 1.187 372 A CA 0.805 52.829 52.037 -0.020 0.000 0.614 372 A CB 0.096 19.088 19.000 -0.013 0.000 0.826 372 A HN 0.287 nan 8.150 nan 0.000 0.442 373 E N 0.354 120.546 120.200 -0.014 0.000 2.105 373 E HA 0.427 4.138 4.350 -1.065 0.000 0.285 373 E C -1.422 175.163 176.600 -0.024 0.000 1.055 373 E CA -0.158 56.235 56.400 -0.012 0.000 0.843 373 E CB 0.507 30.209 29.700 0.004 0.000 1.067 373 E HN 0.376 nan 8.360 nan 0.000 0.398 374 L N 6.603 127.799 121.223 -0.045 0.000 2.307 374 L HA 0.390 4.091 4.340 -1.065 0.000 0.284 374 L C -2.044 174.789 176.870 -0.063 0.000 1.023 374 L CA -2.319 52.479 54.840 -0.070 0.000 0.810 374 L CB 1.541 43.526 42.059 -0.123 0.000 1.231 374 L HN 0.334 nan 8.230 nan 0.000 0.423 375 P HA -0.046 nan 4.420 nan 0.000 0.264 375 P C 0.912 178.172 177.300 -0.067 0.000 1.193 375 P CA -0.017 63.094 63.100 0.019 0.000 0.763 375 P CB 1.362 33.145 31.700 0.137 0.000 0.810 376 L N 4.093 125.279 121.223 -0.061 0.000 1.997 376 L HA -0.260 3.441 4.340 -1.065 0.000 0.216 376 L C 2.697 179.285 176.870 -0.470 0.000 1.074 376 L CA 2.154 56.869 54.840 -0.209 0.000 0.763 376 L CB -1.009 40.986 42.059 -0.107 0.000 0.890 376 L HN 0.642 nan 8.230 nan 0.000 0.434 377 H N -0.644 118.234 119.070 -0.320 0.000 2.472 377 H HA -0.195 3.721 4.556 -1.067 0.000 0.296 377 H C 1.455 176.659 175.328 -0.206 0.000 1.120 377 H CA 1.753 57.649 56.048 -0.253 0.000 1.250 377 H CB -0.880 28.957 29.762 0.126 0.000 1.366 377 H HN 0.505 nan 8.280 nan 0.000 0.524 378 T N -1.763 112.237 114.554 -0.924 0.000 3.278 378 T HA 0.341 4.052 4.350 -1.065 0.000 0.251 378 T C 1.408 175.864 174.700 -0.407 0.000 1.039 378 T CA -0.280 61.433 62.100 -0.645 0.000 0.935 378 T CB -0.428 68.088 68.868 -0.587 0.000 1.034 378 T HN 0.360 nan 8.240 nan 0.000 0.575 379 L N -0.750 120.175 121.223 -0.497 0.000 3.039 379 L HA 0.480 4.181 4.340 -1.065 0.000 0.269 379 L C -0.352 176.339 176.870 -0.299 0.000 1.169 379 L CA -0.579 54.023 54.840 -0.396 0.000 0.986 379 L CB 0.394 42.220 42.059 -0.389 0.000 1.377 379 L HN 0.202 nan 8.230 nan 0.000 0.575 380 F N 0.447 120.393 119.950 -0.005 0.000 2.538 380 F HA 0.134 4.018 4.527 -1.071 0.000 0.371 380 F C 0.721 176.593 175.800 0.121 0.000 1.087 380 F CA -0.248 57.744 58.000 -0.013 0.000 1.250 380 F CB -0.308 38.764 39.000 0.119 0.000 1.110 380 F HN -0.059 nan 8.300 nan 0.000 0.570 381 F N 0.017 120.097 119.950 0.217 0.000 3.057 381 F HA -0.324 3.573 4.527 -1.051 0.000 0.287 381 F C 0.669 176.488 175.800 0.032 0.000 0.834 381 F CA 0.251 58.334 58.000 0.139 0.000 1.147 381 F CB -1.612 37.551 39.000 0.271 0.000 1.245 381 F HN 0.547 nan 8.300 nan 0.000 0.509 382 N N 0.618 119.348 118.700 0.051 0.000 2.455 382 N HA 0.362 4.462 4.740 -1.065 0.000 0.280 382 N C 1.030 176.439 175.510 -0.168 0.000 1.055 382 N CA 0.965 53.962 53.050 -0.088 0.000 0.961 382 N CB 1.313 39.641 38.487 -0.264 0.000 1.121 382 N HN 0.284 nan 8.380 nan 0.000 0.476 383 T N -0.590 113.868 114.554 -0.161 0.000 3.057 383 T HA 0.035 3.746 4.350 -1.065 0.000 0.254 383 T C 1.826 176.436 174.700 -0.149 0.000 0.965 383 T CA -0.486 61.469 62.100 -0.241 0.000 0.978 383 T CB -0.342 68.345 68.868 -0.303 0.000 1.169 383 T HN 0.687 nan 8.240 nan 0.000 0.489 384 W N 2.747 123.969 121.300 -0.131 0.000 2.358 384 W HA 0.060 4.082 4.660 -1.062 0.000 0.303 384 W C 1.459 177.948 176.519 -0.050 0.000 1.208 384 W CA 0.370 57.666 57.345 -0.082 0.000 1.274 384 W CB -0.974 28.439 29.460 -0.079 0.000 1.138 384 W HN 0.039 nan 8.180 nan 0.000 0.515 385 R N 1.093 121.111 120.500 -0.803 0.000 2.316 385 R HA -0.083 3.618 4.340 -1.065 0.000 0.232 385 R C 1.839 177.984 176.300 -0.259 0.000 1.137 385 R CA 1.125 56.804 56.100 -0.703 0.000 1.012 385 R CB -0.636 29.132 30.300 -0.886 0.000 0.859 385 R HN 0.476 nan 8.270 nan 0.000 0.474 386 I N -0.959 119.515 120.570 -0.160 0.000 3.025 386 I HA -0.082 3.449 4.170 -1.065 0.000 0.236 386 I C 2.083 178.264 176.117 0.106 0.000 1.063 386 I CA 0.187 61.461 61.300 -0.042 0.000 1.476 386 I CB -0.259 37.682 38.000 -0.100 0.000 1.331 386 I HN -0.090 nan 8.210 nan 0.000 0.457 387 I N 1.048 121.692 120.570 0.124 0.000 2.194 387 I HA -0.326 3.205 4.170 -1.065 0.000 0.246 387 I C 2.285 178.567 176.117 0.275 0.000 1.093 387 I CA 1.836 63.342 61.300 0.344 0.000 1.355 387 I CB -0.189 38.024 38.000 0.354 0.000 1.046 387 I HN 0.198 nan 8.210 nan 0.000 0.413 388 K N -0.788 119.746 120.400 0.223 0.000 2.308 388 K HA -0.013 3.668 4.320 -1.065 0.000 0.197 388 K C 0.317 177.026 176.600 0.182 0.000 1.049 388 K CA 0.384 56.799 56.287 0.214 0.000 0.991 388 K CB 0.272 32.931 32.500 0.266 0.000 0.836 388 K HN 0.044 nan 8.250 nan 0.000 0.500 389 D N -0.336 120.149 120.400 0.142 0.000 3.088 389 D HA 0.190 4.191 4.640 -1.065 0.000 0.310 389 D C 0.365 176.692 176.300 0.045 0.000 1.351 389 D CA 0.208 54.260 54.000 0.088 0.000 0.921 389 D CB 0.299 41.124 40.800 0.041 0.000 1.045 389 D HN 0.310 nan 8.370 nan 0.000 0.504 390 G N -0.026 108.817 108.800 0.071 0.000 2.612 390 G HA2 0.156 3.477 3.960 -1.065 0.000 0.200 390 G HA3 0.156 3.477 3.960 -1.065 0.000 0.200 390 G C 0.876 175.839 174.900 0.105 0.000 1.053 390 G CA -0.020 45.126 45.100 0.075 0.000 0.707 390 G HN 1.260 nan 8.290 nan 0.000 0.497 391 G N -0.381 108.493 108.800 0.122 0.000 2.396 391 G HA2 0.259 3.580 3.960 -1.065 0.000 0.254 391 G HA3 0.259 3.580 3.960 -1.065 0.000 0.254 391 G C 0.761 175.750 174.900 0.149 0.000 1.248 391 G CA 0.470 45.677 45.100 0.179 0.000 1.033 391 G HN 1.686 nan 8.290 nan 0.000 0.502 392 I N -2.451 118.213 120.570 0.157 0.000 4.035 392 I HA 0.313 3.844 4.170 -1.065 0.000 0.321 392 I C 1.408 177.564 176.117 0.066 0.000 1.289 392 I CA 1.388 62.750 61.300 0.104 0.000 1.236 392 I CB 0.041 38.112 38.000 0.118 0.000 1.076 392 I HN 0.307 nan 8.210 nan 0.000 0.418 393 D N 3.129 123.567 120.400 0.064 0.000 2.106 393 D HA -0.113 3.888 4.640 -1.065 0.000 0.191 393 D C -0.564 175.731 176.300 -0.010 0.000 0.997 393 D CA 1.996 56.010 54.000 0.023 0.000 0.834 393 D CB -1.437 39.378 40.800 0.025 0.000 0.956 393 D HN 0.334 nan 8.370 nan 0.000 0.448 394 P HA -0.093 nan 4.420 nan 0.000 0.215 394 P C 1.541 178.828 177.300 -0.023 0.000 1.153 394 P CA 0.905 63.980 63.100 -0.042 0.000 0.853 394 P CB 0.007 31.694 31.700 -0.021 0.000 0.788 395 L N -1.351 119.877 121.223 0.008 0.000 2.056 395 L HA -0.129 3.572 4.340 -1.065 0.000 0.207 395 L C 2.326 179.233 176.870 0.062 0.000 1.078 395 L CA 1.241 56.097 54.840 0.026 0.000 0.749 395 L CB -1.231 40.843 42.059 0.026 0.000 0.901 395 L HN -0.152 nan 8.230 nan 0.000 0.433 396 V N -0.093 119.862 119.914 0.069 0.000 2.594 396 V HA -0.213 3.268 4.120 -1.065 0.000 0.253 396 V C 2.536 178.714 176.094 0.141 0.000 1.069 396 V CA 1.508 63.874 62.300 0.109 0.000 1.082 396 V CB -0.689 31.184 31.823 0.083 0.000 0.680 396 V HN 0.417 nan 8.190 nan 0.000 0.469 397 R N 0.043 120.592 120.500 0.082 0.000 2.193 397 R HA 0.003 3.704 4.340 -1.065 0.000 0.213 397 R C 2.398 178.845 176.300 0.244 0.000 1.055 397 R CA 1.001 57.190 56.100 0.149 0.000 0.995 397 R CB -0.510 29.583 30.300 -0.344 0.000 0.893 397 R HN 0.579 nan 8.270 nan 0.000 0.459 398 G N 1.710 110.591 108.800 0.136 0.000 2.453 398 G HA2 -0.230 3.091 3.960 -1.065 0.000 0.215 398 G HA3 -0.230 3.091 3.960 -1.065 0.000 0.215 398 G C 1.436 176.444 174.900 0.180 0.000 1.201 398 G CA 0.359 45.541 45.100 0.137 0.000 0.784 398 G HN 0.095 nan 8.290 nan 0.000 0.545 399 L N 0.068 121.395 121.223 0.173 0.000 2.013 399 L HA -0.095 3.606 4.340 -1.065 0.000 0.212 399 L C 2.944 179.942 176.870 0.213 0.000 1.073 399 L CA 0.829 55.781 54.840 0.186 0.000 0.753 399 L CB -0.372 41.801 42.059 0.189 0.000 0.890 399 L HN 0.176 nan 8.230 nan 0.000 0.432 400 L N -0.989 120.383 121.223 0.248 0.000 2.141 400 L HA -0.158 3.543 4.340 -1.065 0.000 0.209 400 L C 2.539 179.594 176.870 0.308 0.000 1.094 400 L CA 1.154 56.135 54.840 0.235 0.000 0.763 400 L CB -0.527 41.669 42.059 0.230 0.000 0.908 400 L HN 0.282 nan 8.230 nan 0.000 0.437 401 A N -1.628 121.417 122.820 0.375 0.000 2.115 401 A HA 0.086 3.767 4.320 -1.065 0.000 0.211 401 A C 1.144 178.862 177.584 0.223 0.000 1.169 401 A CA 0.201 52.439 52.037 0.336 0.000 0.787 401 A CB 0.212 19.399 19.000 0.312 0.000 0.858 401 A HN 0.009 nan 8.150 nan 0.000 0.474 402 K N 0.625 121.144 120.400 0.198 0.000 2.148 402 K HA 0.506 4.187 4.320 -1.065 0.000 0.239 402 K C -0.538 176.159 176.600 0.162 0.000 1.018 402 K CA -0.146 56.236 56.287 0.158 0.000 0.923 402 K CB 0.558 33.139 32.500 0.136 0.000 1.117 402 K HN 0.187 nan 8.250 nan 0.000 0.477 403 K N 0.184 120.671 120.400 0.146 0.000 2.208 403 K HA 0.368 4.048 4.320 -1.065 0.000 0.247 403 K C 0.013 176.712 176.600 0.165 0.000 0.953 403 K CA -0.552 55.829 56.287 0.155 0.000 0.837 403 K CB 1.777 34.355 32.500 0.131 0.000 1.131 403 K HN 0.417 nan 8.250 nan 0.000 0.431 404 S N 0.838 116.660 115.700 0.203 0.000 2.596 404 S HA 0.166 3.997 4.470 -1.065 0.000 0.262 404 S C -0.203 174.505 174.600 0.180 0.000 1.218 404 S CA -0.428 57.902 58.200 0.216 0.000 0.998 404 S CB 0.392 63.787 63.200 0.325 0.000 1.060 404 S HN 0.354 nan 8.310 nan 0.000 0.552 405 K N 1.247 121.755 120.400 0.180 0.000 2.235 405 K HA 0.369 4.050 4.320 -1.065 0.000 0.266 405 K C -1.204 175.488 176.600 0.154 0.000 0.980 405 K CA -0.629 55.749 56.287 0.153 0.000 0.849 405 K CB 0.984 33.578 32.500 0.156 0.000 1.098 405 K HN 0.305 nan 8.250 nan 0.000 0.445 406 L N 4.662 125.954 121.223 0.115 0.000 2.380 406 L HA 0.193 3.894 4.340 -1.065 0.000 0.273 406 L C -0.040 176.875 176.870 0.075 0.000 1.138 406 L CA 0.164 55.066 54.840 0.102 0.000 0.832 406 L CB 0.707 42.804 42.059 0.064 0.000 1.124 406 L HN 0.645 nan 8.230 nan 0.000 0.454 407 M N 5.655 125.309 119.600 0.090 0.000 2.219 407 M HA 0.162 4.003 4.480 -1.065 0.000 0.353 407 M C -0.762 175.546 176.300 0.013 0.000 1.304 407 M CA 0.598 55.935 55.300 0.062 0.000 1.115 407 M CB -0.311 32.336 32.600 0.078 0.000 1.664 407 M HN 0.764 nan 8.290 nan 0.000 0.459 408 N N 4.183 122.868 118.700 -0.025 0.000 2.558 408 N HA 0.143 4.244 4.740 -1.065 0.000 0.285 408 N C 0.034 175.509 175.510 -0.058 0.000 1.112 408 N CA -0.102 52.917 53.050 -0.052 0.000 0.857 408 N CB 1.064 39.493 38.487 -0.096 0.000 1.376 408 N HN 0.739 nan 8.380 nan 0.000 0.526 409 Q N 0.813 120.590 119.800 -0.039 0.000 2.490 409 Q HA -0.220 3.481 4.340 -1.065 0.000 0.218 409 Q C 0.907 176.887 176.000 -0.034 0.000 0.995 409 Q CA 1.494 57.276 55.803 -0.035 0.000 0.920 409 Q CB 0.144 28.867 28.738 -0.026 0.000 0.925 409 Q HN 0.517 nan 8.270 nan 0.000 0.469 410 N N -0.305 118.363 118.700 -0.053 0.000 2.463 410 N HA 0.016 4.117 4.740 -1.065 0.000 0.183 410 N C -0.609 174.852 175.510 -0.082 0.000 1.064 410 N CA 0.445 53.465 53.050 -0.049 0.000 0.879 410 N CB 0.676 39.134 38.487 -0.049 0.000 1.148 410 N HN 0.028 nan 8.380 nan 0.000 0.451 411 K N 0.947 121.211 120.400 -0.226 0.000 2.464 411 K HA 0.325 4.006 4.320 -1.065 0.000 0.252 411 K C 0.352 176.821 176.600 -0.219 0.000 1.000 411 K CA -0.186 55.765 56.287 -0.560 0.000 0.951 411 K CB 2.169 33.769 32.500 -1.499 0.000 1.183 411 K HN -0.006 nan 8.250 nan 0.000 0.445 412 M N 0.682 120.350 119.600 0.114 0.000 2.240 412 M HA 0.065 3.906 4.480 -1.065 0.000 0.257 412 M C 0.195 176.660 176.300 0.275 0.000 1.107 412 M CA 0.904 56.288 55.300 0.140 0.000 1.169 412 M CB 0.728 33.390 32.600 0.103 0.000 1.307 412 M HN 0.164 nan 8.290 nan 0.000 0.447 413 V N 0.937 121.080 119.914 0.382 0.000 2.531 413 V HA 0.233 3.714 4.120 -1.065 0.000 0.301 413 V C -0.333 175.919 176.094 0.264 0.000 1.034 413 V CA -1.017 61.486 62.300 0.338 0.000 0.865 413 V CB 1.526 33.523 31.823 0.289 0.000 0.995 413 V HN 0.354 nan 8.190 nan 0.000 0.424 414 T N 3.010 117.696 114.554 0.219 0.000 2.934 414 T HA -0.036 3.675 4.350 -1.065 0.000 0.321 414 T C 1.397 176.058 174.700 -0.064 0.000 1.080 414 T CA 0.251 62.355 62.100 0.007 0.000 1.132 414 T CB 0.436 69.365 68.868 0.102 0.000 1.039 414 T HN 0.788 nan 8.240 nan 0.000 0.543 415 S N 1.269 116.862 115.700 -0.178 0.000 2.481 415 S HA -0.066 3.765 4.470 -1.065 0.000 0.231 415 S C 1.888 176.490 174.600 0.003 0.000 0.996 415 S CA 0.369 58.505 58.200 -0.107 0.000 0.942 415 S CB -0.058 63.045 63.200 -0.162 0.000 0.768 415 S HN 0.632 nan 8.310 nan 0.000 0.520 416 E N 1.054 121.288 120.200 0.057 0.000 2.338 416 E HA 0.067 3.778 4.350 -1.065 0.000 0.197 416 E C 1.540 178.322 176.600 0.304 0.000 1.007 416 E CA 0.531 57.043 56.400 0.187 0.000 0.849 416 E CB -0.068 29.752 29.700 0.199 0.000 0.774 416 E HN 0.478 nan 8.360 nan 0.000 0.506 417 L N -0.733 120.599 121.223 0.183 0.000 2.609 417 L HA 0.174 3.875 4.340 -1.065 0.000 0.230 417 L C 2.482 179.387 176.870 0.058 0.000 1.064 417 L CA 0.015 54.925 54.840 0.116 0.000 0.873 417 L CB 0.202 42.302 42.059 0.068 0.000 1.139 417 L HN -0.049 nan 8.230 nan 0.000 0.490 418 R N 0.090 120.628 120.500 0.064 0.000 2.075 418 R HA -0.022 3.678 4.340 -1.065 0.000 0.226 418 R C 1.652 177.988 176.300 0.061 0.000 1.114 418 R CA 1.253 57.389 56.100 0.060 0.000 0.972 418 R CB 0.278 30.607 30.300 0.049 0.000 0.869 418 R HN 0.334 nan 8.270 nan 0.000 0.437 419 N N -0.209 118.520 118.700 0.049 0.000 2.463 419 N HA -0.001 4.100 4.740 -1.065 0.000 0.183 419 N C -0.052 175.507 175.510 0.082 0.000 1.064 419 N CA 0.564 53.636 53.050 0.038 0.000 0.879 419 N CB 0.579 39.058 38.487 -0.013 0.000 1.148 419 N HN 0.078 nan 8.380 nan 0.000 0.451 420 K N 1.349 121.831 120.400 0.136 0.000 2.965 420 K HA 0.225 3.906 4.320 -1.065 0.000 0.216 420 K C -0.157 176.689 176.600 0.410 0.000 1.164 420 K CA -0.398 56.044 56.287 0.259 0.000 1.153 420 K CB 0.334 32.952 32.500 0.195 0.000 1.045 420 K HN 0.002 nan 8.250 nan 0.000 0.460 421 L N 1.082 122.453 121.223 0.246 0.000 2.331 421 L HA 0.347 4.048 4.340 -1.065 0.000 0.278 421 L C -0.573 176.385 176.870 0.147 0.000 1.106 421 L CA -0.428 54.430 54.840 0.031 0.000 0.824 421 L CB 0.215 42.210 42.059 -0.106 0.000 1.142 421 L HN 0.056 nan 8.230 nan 0.000 0.443 422 F N 4.692 124.529 119.950 -0.188 0.000 2.404 422 F HA 0.470 4.356 4.527 -1.069 0.000 0.345 422 F C -0.081 175.740 175.800 0.034 0.000 1.110 422 F CA -0.182 57.788 58.000 -0.051 0.000 1.130 422 F CB 0.860 39.814 39.000 -0.076 0.000 1.129 422 F HN 0.489 nan 8.300 nan 0.000 0.500 423 Q N 7.627 127.084 119.800 -0.571 0.000 2.312 423 Q HA 0.277 3.977 4.340 -1.065 0.000 0.263 423 Q C -1.847 173.680 176.000 -0.789 0.000 0.995 423 Q CA -1.895 53.618 55.803 -0.483 0.000 0.853 423 Q CB 1.959 30.345 28.738 -0.586 0.000 1.300 423 Q HN 0.390 nan 8.270 nan 0.000 0.448 424 P HA -0.172 nan 4.420 nan 0.000 0.215 424 P C 0.883 177.865 177.300 -0.530 0.000 1.153 424 P CA 1.506 64.134 63.100 -0.786 0.000 0.853 424 P CB 0.279 31.611 31.700 -0.615 0.000 0.788 425 T N -0.158 114.160 114.554 -0.393 0.000 2.580 425 T HA -0.146 3.565 4.350 -1.065 0.000 0.265 425 T C 1.282 175.693 174.700 -0.481 0.000 1.063 425 T CA 1.325 63.168 62.100 -0.428 0.000 1.170 425 T CB -1.010 67.577 68.868 -0.469 0.000 0.863 425 T HN 0.328 nan 8.240 nan 0.000 0.418 426 H N 0.424 119.323 119.070 -0.285 0.000 2.497 426 H HA 0.357 4.273 4.556 -1.067 0.000 0.348 426 H C 1.267 176.519 175.328 -0.128 0.000 1.335 426 H CA -0.580 55.384 56.048 -0.141 0.000 1.395 426 H CB 1.209 31.025 29.762 0.090 0.000 1.658 426 H HN 0.140 nan 8.280 nan 0.000 0.613 427 K N 0.224 120.761 120.400 0.229 0.000 2.063 427 K HA 0.034 3.715 4.320 -1.065 0.000 0.204 427 K C 1.282 178.323 176.600 0.734 0.000 1.039 427 K CA 0.311 56.865 56.287 0.445 0.000 0.957 427 K CB 0.088 32.769 32.500 0.301 0.000 0.764 427 K HN 0.412 nan 8.250 nan 0.000 0.447 428 I N 0.642 121.504 120.570 0.486 0.000 3.194 428 I HA -0.035 3.496 4.170 -1.065 0.000 0.283 428 I C -0.280 176.211 176.117 0.623 0.000 1.199 428 I CA 0.511 62.093 61.300 0.470 0.000 1.328 428 I CB 0.165 38.305 38.000 0.233 0.000 1.404 428 I HN 0.227 nan 8.210 nan 0.000 0.618 429 H N 2.504 121.822 119.070 0.414 0.000 2.591 429 H HA 0.504 4.423 4.556 -1.063 0.000 0.302 429 H C 0.709 176.214 175.328 0.297 0.000 1.163 429 H CA 0.205 56.542 56.048 0.482 0.000 1.049 429 H CB -0.053 29.941 29.762 0.386 0.000 1.543 429 H HN 0.803 nan 8.280 nan 0.000 0.523 430 G N -0.071 108.863 108.800 0.223 0.000 4.637 430 G HA2 0.181 3.501 3.960 -1.065 0.000 0.294 430 G HA3 0.181 3.501 3.960 -1.065 0.000 0.294 430 G C -0.435 174.423 174.900 -0.071 0.000 1.215 430 G CA -0.205 44.932 45.100 0.062 0.000 0.943 430 G HN 0.143 nan 8.290 nan 0.000 0.572 431 F N 0.028 120.024 119.950 0.077 0.000 2.321 431 F HA 0.565 4.456 4.527 -1.060 0.000 0.318 431 F C 0.175 175.991 175.800 0.027 0.000 1.129 431 F CA -0.585 57.434 58.000 0.032 0.000 1.074 431 F CB 1.535 40.512 39.000 -0.038 0.000 1.432 431 F HN 0.017 nan 8.300 nan 0.000 0.502 432 D N 1.038 121.611 120.400 0.288 0.000 2.402 432 D HA 0.150 4.151 4.640 -1.065 0.000 0.252 432 D C 0.461 176.799 176.300 0.063 0.000 1.294 432 D CA -0.377 53.707 54.000 0.140 0.000 0.948 432 D CB 1.154 42.035 40.800 0.135 0.000 1.202 432 D HN 0.325 nan 8.370 nan 0.000 0.561 433 L N 4.523 125.729 121.223 -0.029 0.000 2.013 433 L HA -0.096 3.605 4.340 -1.065 0.000 0.212 433 L C 2.011 178.797 176.870 -0.141 0.000 1.073 433 L CA 2.713 57.464 54.840 -0.148 0.000 0.753 433 L CB -0.857 41.016 42.059 -0.311 0.000 0.890 433 L HN 0.500 nan 8.230 nan 0.000 0.432 434 A N -0.556 122.243 122.820 -0.035 0.000 1.865 434 A HA -0.187 3.494 4.320 -1.065 0.000 0.217 434 A C 2.461 180.022 177.584 -0.038 0.000 1.191 434 A CA 2.440 54.486 52.037 0.015 0.000 0.623 434 A CB -1.355 17.794 19.000 0.249 0.000 0.826 434 A HN 0.605 nan 8.150 nan 0.000 0.444 435 A N -0.112 122.729 122.820 0.036 0.000 1.933 435 A HA -0.058 3.623 4.320 -1.065 0.000 0.218 435 A C 2.029 179.596 177.584 -0.028 0.000 1.175 435 A CA 1.559 53.611 52.037 0.024 0.000 0.628 435 A CB -0.561 18.472 19.000 0.054 0.000 0.814 435 A HN 0.485 nan 8.150 nan 0.000 0.444 436 I N 0.709 121.286 120.570 0.012 0.000 2.127 436 I HA -0.268 3.263 4.170 -1.065 0.000 0.241 436 I C 2.014 178.164 176.117 0.055 0.000 1.075 436 I CA 1.485 62.857 61.300 0.119 0.000 1.334 436 I CB -1.813 36.262 38.000 0.126 0.000 1.040 436 I HN 0.360 nan 8.210 nan 0.000 0.405 437 N N 1.490 120.103 118.700 -0.145 0.000 2.036 437 N HA -0.187 3.914 4.740 -1.065 0.000 0.195 437 N C 2.096 177.539 175.510 -0.111 0.000 1.037 437 N CA 1.390 54.258 53.050 -0.303 0.000 0.855 437 N CB -0.558 37.249 38.487 -1.133 0.000 1.033 437 N HN 0.368 nan 8.380 nan 0.000 0.423 438 L N 0.859 122.038 121.223 -0.074 0.000 2.017 438 L HA -0.208 3.493 4.340 -1.065 0.000 0.208 438 L C 2.721 179.629 176.870 0.064 0.000 1.073 438 L CA 1.209 56.107 54.840 0.096 0.000 0.745 438 L CB -0.503 41.661 42.059 0.175 0.000 0.894 438 L HN 0.166 nan 8.230 nan 0.000 0.432 439 Q N 0.513 120.276 119.800 -0.063 0.000 2.030 439 Q HA -0.275 3.426 4.340 -1.065 0.000 0.204 439 Q C 2.193 178.203 176.000 0.017 0.000 0.986 439 Q CA 1.834 57.513 55.803 -0.207 0.000 0.843 439 Q CB -0.206 28.022 28.738 -0.851 0.000 0.904 439 Q HN 0.102 nan 8.270 nan 0.000 0.420 440 R N -0.765 119.836 120.500 0.167 0.000 2.211 440 R HA -0.122 3.579 4.340 -1.065 0.000 0.240 440 R C 1.904 178.493 176.300 0.482 0.000 1.144 440 R CA 1.725 58.158 56.100 0.555 0.000 0.992 440 R CB -0.907 29.760 30.300 0.611 0.000 0.869 440 R HN 0.472 nan 8.270 nan 0.000 0.462 441 C N -0.761 118.629 119.300 0.149 0.000 2.476 441 C HA 0.082 3.903 4.460 -1.065 0.000 0.278 441 C C 2.355 177.349 174.990 0.008 0.000 1.274 441 C CA 0.692 59.556 59.018 -0.257 0.000 1.713 441 C CB -0.720 26.878 27.740 -0.236 0.000 2.039 441 C HN 0.521 nan 8.230 nan 0.000 0.484 442 R N 0.941 121.532 120.500 0.152 0.000 2.152 442 R HA -0.146 3.555 4.340 -1.065 0.000 0.232 442 R C 1.712 178.153 176.300 0.235 0.000 1.117 442 R CA 1.770 57.999 56.100 0.215 0.000 0.981 442 R CB -0.404 30.073 30.300 0.295 0.000 0.870 442 R HN 0.559 nan 8.270 nan 0.000 0.451 443 D N -0.074 120.521 120.400 0.326 0.000 2.123 443 D HA -0.145 3.856 4.640 -1.065 0.000 0.200 443 D C 1.428 177.911 176.300 0.304 0.000 0.976 443 D CA 1.116 55.322 54.000 0.343 0.000 0.831 443 D CB 0.018 41.140 40.800 0.536 0.000 0.974 443 D HN 0.266 nan 8.370 nan 0.000 0.469 444 H N -0.873 118.354 119.070 0.261 0.000 2.547 444 H HA 0.182 4.104 4.556 -1.056 0.000 0.266 444 H C 1.117 176.449 175.328 0.007 0.000 0.988 444 H CA 0.769 56.952 56.048 0.225 0.000 1.147 444 H CB 0.198 30.169 29.762 0.349 0.000 1.365 444 H HN 0.328 nan 8.280 nan 0.000 0.589 445 G N 1.405 110.147 108.800 -0.097 0.000 2.198 445 G HA2 -0.284 3.037 3.960 -1.065 0.000 0.260 445 G HA3 -0.284 3.037 3.960 -1.065 0.000 0.260 445 G C 0.387 175.141 174.900 -0.242 0.000 1.025 445 G CA 0.017 44.747 45.100 -0.616 0.000 0.769 445 G HN 0.141 nan 8.290 nan 0.000 0.507 446 M N 0.511 120.062 119.600 -0.082 0.000 2.408 446 M HA 0.128 3.969 4.480 -1.065 0.000 0.363 446 M C -1.585 174.777 176.300 0.104 0.000 1.636 446 M CA -1.606 53.703 55.300 0.015 0.000 1.029 446 M CB -0.455 32.062 32.600 -0.139 0.000 2.068 446 M HN -0.018 nan 8.290 nan 0.000 0.466 447 P HA 0.022 nan 4.420 nan 0.000 0.267 447 P C 0.563 177.908 177.300 0.076 0.000 1.201 447 P CA 0.186 63.262 63.100 -0.040 0.000 0.775 447 P CB 0.420 31.877 31.700 -0.405 0.000 0.854 448 G N 0.747 109.536 108.800 -0.018 0.000 2.785 448 G HA2 -0.155 3.166 3.960 -1.065 0.000 0.256 448 G HA3 -0.155 3.166 3.960 -1.065 0.000 0.256 448 G C 0.498 175.533 174.900 0.224 0.000 1.248 448 G CA -0.049 45.091 45.100 0.067 0.000 0.914 448 G HN 0.512 nan 8.290 nan 0.000 0.580 449 Y N 0.154 120.509 120.300 0.092 0.000 2.145 449 Y HA -0.167 3.742 4.550 -1.068 0.000 0.286 449 Y C 2.707 178.700 175.900 0.156 0.000 1.145 449 Y CA 2.368 60.565 58.100 0.162 0.000 1.148 449 Y CB -0.130 38.341 38.460 0.018 0.000 0.981 449 Y HN 0.436 nan 8.280 nan 0.000 0.507 450 N N -0.304 118.402 118.700 0.010 0.000 2.120 450 N HA -0.191 3.910 4.740 -1.065 0.000 0.188 450 N C 2.033 177.469 175.510 -0.124 0.000 1.024 450 N CA 1.471 54.446 53.050 -0.125 0.000 0.852 450 N CB -0.638 37.847 38.487 -0.004 0.000 1.003 450 N HN 0.307 nan 8.380 nan 0.000 0.424 451 S N -0.645 114.962 115.700 -0.154 0.000 2.493 451 S HA -0.091 3.740 4.470 -1.065 0.000 0.243 451 S C 1.252 175.626 174.600 -0.376 0.000 0.991 451 S CA 0.831 58.856 58.200 -0.292 0.000 0.957 451 S CB -0.163 62.782 63.200 -0.424 0.000 0.756 451 S HN 0.446 nan 8.310 nan 0.000 0.521 452 W N 0.164 121.441 121.300 -0.039 0.000 2.699 452 W HA 0.291 4.321 4.660 -1.050 0.000 0.265 452 W C 2.349 178.872 176.519 0.007 0.000 1.210 452 W CA -0.557 56.806 57.345 0.030 0.000 1.414 452 W CB -0.074 29.380 29.460 -0.010 0.000 1.043 452 W HN -0.041 nan 8.180 nan 0.000 0.599 453 R N 0.532 121.045 120.500 0.023 0.000 2.105 453 R HA -0.105 3.596 4.340 -1.065 0.000 0.239 453 R C 2.182 178.502 176.300 0.034 0.000 1.135 453 R CA 1.626 57.695 56.100 -0.052 0.000 0.967 453 R CB -1.383 28.787 30.300 -0.217 0.000 0.861 453 R HN 0.353 nan 8.270 nan 0.000 0.442 454 G N 0.289 109.106 108.800 0.029 0.000 2.404 454 G HA2 -0.285 3.036 3.960 -1.065 0.000 0.215 454 G HA3 -0.285 3.036 3.960 -1.065 0.000 0.215 454 G C 1.333 176.280 174.900 0.079 0.000 1.174 454 G CA 0.367 45.486 45.100 0.031 0.000 0.780 454 G HN 0.324 nan 8.290 nan 0.000 0.537 455 F N 1.259 121.219 119.950 0.017 0.000 2.192 455 F HA -0.154 3.733 4.527 -1.066 0.000 0.301 455 F C 2.065 177.929 175.800 0.106 0.000 1.079 455 F CA 1.170 59.211 58.000 0.068 0.000 1.303 455 F CB -0.210 38.892 39.000 0.169 0.000 1.024 455 F HN 0.166 nan 8.300 nan 0.000 0.494 456 c N 0.812 119.415 118.600 0.005 0.000 2.697 456 c HA 0.464 4.395 4.570 -1.065 0.000 0.267 456 c C 1.432 175.524 174.090 0.004 0.000 1.278 456 c CA 0.399 56.688 56.329 -0.067 0.000 1.708 456 c CB -1.275 41.294 42.510 0.098 0.000 1.860 456 c HN 0.855 nan 8.230 nan 0.000 0.589 457 G N 1.693 110.483 108.800 -0.016 0.000 2.368 457 G HA2 -0.191 3.130 3.960 -1.065 0.000 0.290 457 G HA3 -0.191 3.130 3.960 -1.065 0.000 0.290 457 G C -0.539 174.373 174.900 0.020 0.000 1.098 457 G CA 0.127 45.224 45.100 -0.005 0.000 1.073 457 G HN 0.563 nan 8.290 nan 0.000 0.511 458 L N -0.823 120.413 121.223 0.022 0.000 2.393 458 L HA 0.738 4.439 4.340 -1.065 0.000 0.260 458 L C 0.906 177.780 176.870 0.006 0.000 1.002 458 L CA -1.221 53.632 54.840 0.021 0.000 0.818 458 L CB 1.761 43.841 42.059 0.034 0.000 1.369 458 L HN 0.220 nan 8.230 nan 0.000 0.412 459 S N 0.994 116.701 115.700 0.012 0.000 2.715 459 S HA -0.050 3.781 4.470 -1.065 0.000 0.318 459 S C -0.259 174.347 174.600 0.010 0.000 1.242 459 S CA 0.162 58.370 58.200 0.014 0.000 1.044 459 S CB 0.003 63.217 63.200 0.024 0.000 0.760 459 S HN 0.569 nan 8.310 nan 0.000 0.501 460 Q N 5.243 125.049 119.800 0.011 0.000 2.372 460 Q HA 0.379 4.080 4.340 -1.065 0.000 0.259 460 Q C -2.259 173.766 176.000 0.041 0.000 0.993 460 Q CA -1.862 53.949 55.803 0.014 0.000 0.854 460 Q CB 1.370 30.107 28.738 -0.002 0.000 1.231 460 Q HN 0.554 nan 8.270 nan 0.000 0.462 461 P HA 0.160 nan 4.420 nan 0.000 0.286 461 P C -0.306 177.041 177.300 0.078 0.000 1.269 461 P CA -0.384 62.764 63.100 0.079 0.000 0.787 461 P CB 1.677 33.439 31.700 0.104 0.000 0.920 462 K N 0.738 121.173 120.400 0.058 0.000 2.329 462 K HA 0.105 3.786 4.320 -1.065 0.000 0.198 462 K C 1.242 177.873 176.600 0.051 0.000 1.085 462 K CA 0.910 57.230 56.287 0.057 0.000 0.961 462 K CB -0.050 32.479 32.500 0.047 0.000 0.971 462 K HN 0.624 nan 8.250 nan 0.000 0.502 463 T N -1.073 113.506 114.554 0.042 0.000 2.897 463 T HA 0.214 3.925 4.350 -1.065 0.000 0.278 463 T C 1.276 175.994 174.700 0.029 0.000 0.981 463 T CA -0.792 61.328 62.100 0.034 0.000 0.973 463 T CB 1.057 69.942 68.868 0.028 0.000 1.092 463 T HN -0.087 nan 8.240 nan 0.000 0.543 464 L N 0.227 121.462 121.223 0.020 0.000 2.109 464 L HA 0.087 3.788 4.340 -1.065 0.000 0.207 464 L C 2.324 179.204 176.870 0.016 0.000 1.086 464 L CA 1.893 56.741 54.840 0.014 0.000 0.760 464 L CB -0.910 41.154 42.059 0.007 0.000 0.910 464 L HN 0.919 nan 8.230 nan 0.000 0.437 465 K N -0.406 120.004 120.400 0.017 0.000 2.283 465 K HA -0.088 3.593 4.320 -1.065 0.000 0.202 465 K C 1.863 178.476 176.600 0.022 0.000 1.048 465 K CA 0.995 57.292 56.287 0.017 0.000 0.948 465 K CB -0.092 32.418 32.500 0.016 0.000 0.742 465 K HN 0.477 nan 8.250 nan 0.000 0.458 466 G N 0.992 109.809 108.800 0.028 0.000 2.404 466 G HA2 -0.199 3.122 3.960 -1.065 0.000 0.213 466 G HA3 -0.199 3.122 3.960 -1.065 0.000 0.213 466 G C 1.229 176.156 174.900 0.044 0.000 1.189 466 G CA 0.241 45.363 45.100 0.037 0.000 0.796 466 G HN 0.257 nan 8.290 nan 0.000 0.532 467 L N 0.548 121.797 121.223 0.043 0.000 2.362 467 L HA 0.073 3.774 4.340 -1.065 0.000 0.219 467 L C 2.781 179.668 176.870 0.029 0.000 1.134 467 L CA 1.304 56.169 54.840 0.043 0.000 0.807 467 L CB -0.182 41.890 42.059 0.022 0.000 0.927 467 L HN 0.307 nan 8.230 nan 0.000 0.447 468 Q N -1.429 118.385 119.800 0.023 0.000 2.137 468 Q HA -0.014 3.687 4.340 -1.065 0.000 0.198 468 Q C 2.307 178.319 176.000 0.020 0.000 0.960 468 Q CA 1.092 56.905 55.803 0.016 0.000 0.847 468 Q CB -0.252 28.494 28.738 0.013 0.000 0.915 468 Q HN 0.602 nan 8.270 nan 0.000 0.448 469 A N 0.476 123.311 122.820 0.025 0.000 1.972 469 A HA -0.121 3.559 4.320 -1.065 0.000 0.219 469 A C 2.249 179.851 177.584 0.031 0.000 1.169 469 A CA 1.218 53.270 52.037 0.025 0.000 0.635 469 A CB -0.448 18.568 19.000 0.026 0.000 0.810 469 A HN 0.192 nan 8.150 nan 0.000 0.446 470 V N -0.618 119.322 119.914 0.043 0.000 2.331 470 V HA -0.107 3.374 4.120 -1.065 0.000 0.242 470 V C 2.278 178.400 176.094 0.046 0.000 1.034 470 V CA 1.345 63.678 62.300 0.056 0.000 1.027 470 V CB -0.561 31.318 31.823 0.094 0.000 0.667 470 V HN 0.443 nan 8.190 nan 0.000 0.457 471 L N -0.314 120.930 121.223 0.036 0.000 2.362 471 L HA 0.028 3.729 4.340 -1.065 0.000 0.219 471 L C 1.408 178.284 176.870 0.011 0.000 1.134 471 L CA 1.067 55.917 54.840 0.017 0.000 0.807 471 L CB -1.362 40.695 42.059 -0.002 0.000 0.927 471 L HN 0.390 nan 8.230 nan 0.000 0.447 472 K N 0.488 120.896 120.400 0.014 0.000 3.069 472 K HA -0.231 3.450 4.320 -1.065 0.000 0.267 472 K C -0.097 176.506 176.600 0.005 0.000 1.082 472 K CA 0.630 56.922 56.287 0.010 0.000 0.782 472 K CB -1.485 31.020 32.500 0.009 0.000 1.230 472 K HN 0.413 nan 8.250 nan 0.000 0.488 473 N N -0.083 118.619 118.700 0.003 0.000 2.599 473 N HA 0.158 4.259 4.740 -1.065 0.000 0.283 473 N C 0.292 175.802 175.510 0.001 0.000 1.160 473 N CA -0.446 52.604 53.050 0.000 0.000 0.869 473 N CB 0.883 39.368 38.487 -0.004 0.000 1.448 473 N HN 0.031 nan 8.380 nan 0.000 0.535 474 K N 1.830 122.232 120.400 0.003 0.000 1.965 474 K HA -0.143 3.538 4.320 -1.065 0.000 0.218 474 K C 1.788 178.389 176.600 0.002 0.000 1.048 474 K CA 1.559 57.847 56.287 0.003 0.000 0.960 474 K CB -0.217 32.285 32.500 0.004 0.000 0.732 474 K HN 0.483 nan 8.250 nan 0.000 0.444 475 I N 1.757 122.328 120.570 0.002 0.000 2.147 475 I HA -0.318 3.213 4.170 -1.065 0.000 0.245 475 I C 1.963 178.081 176.117 0.002 0.000 1.059 475 I CA 1.495 62.797 61.300 0.003 0.000 1.320 475 I CB -0.477 37.525 38.000 0.004 0.000 1.021 475 I HN 0.196 nan 8.210 nan 0.000 0.415 476 L N 1.408 122.631 121.223 0.000 0.000 1.976 476 L HA -0.080 3.620 4.340 -1.065 0.000 0.209 476 L C 2.589 179.457 176.870 -0.003 0.000 1.071 476 L CA 2.527 57.366 54.840 -0.002 0.000 0.746 476 L CB -1.742 40.311 42.059 -0.009 0.000 0.890 476 L HN 0.372 nan 8.230 nan 0.000 0.432 477 A N -0.742 122.074 122.820 -0.007 0.000 1.997 477 A HA -0.325 3.356 4.320 -1.065 0.000 0.221 477 A C 2.491 180.074 177.584 -0.001 0.000 1.172 477 A CA 2.349 54.381 52.037 -0.008 0.000 0.645 477 A CB -0.694 18.305 19.000 -0.002 0.000 0.813 477 A HN 0.572 nan 8.150 nan 0.000 0.454 478 K N -0.463 119.937 120.400 0.001 0.000 2.021 478 K HA -0.093 3.588 4.320 -1.065 0.000 0.205 478 K C 2.059 178.661 176.600 0.002 0.000 1.047 478 K CA 1.403 57.689 56.287 -0.000 0.000 0.943 478 K CB -0.190 32.309 32.500 -0.001 0.000 0.725 478 K HN 0.442 nan 8.250 nan 0.000 0.439 479 K N 0.683 121.086 120.400 0.006 0.000 2.063 479 K HA -0.171 3.510 4.320 -1.065 0.000 0.208 479 K C 2.064 178.676 176.600 0.021 0.000 1.048 479 K CA 1.055 57.347 56.287 0.008 0.000 0.928 479 K CB -0.161 32.347 32.500 0.013 0.000 0.713 479 K HN 0.053 nan 8.250 nan 0.000 0.442 480 L N 0.939 122.185 121.223 0.038 0.000 2.012 480 L HA -0.165 3.536 4.340 -1.065 0.000 0.210 480 L C 1.823 178.779 176.870 0.143 0.000 1.073 480 L CA 1.800 56.698 54.840 0.097 0.000 0.748 480 L CB -0.656 41.430 42.059 0.045 0.000 0.891 480 L HN 0.209 nan 8.230 nan 0.000 0.431 481 L N -4.880 116.382 121.223 0.065 0.000 2.607 481 L HA 0.302 4.003 4.340 -1.065 0.000 0.228 481 L C 1.448 178.301 176.870 -0.028 0.000 1.123 481 L CA 0.522 55.389 54.840 0.045 0.000 0.890 481 L CB -0.798 41.270 42.059 0.014 0.000 1.103 481 L HN -0.078 nan 8.230 nan 0.000 0.468 482 D N 0.173 120.556 120.400 -0.029 0.000 2.348 482 D HA -0.002 3.998 4.640 -1.065 0.000 0.216 482 D C 1.925 178.179 176.300 -0.078 0.000 0.970 482 D CA 1.063 55.032 54.000 -0.052 0.000 0.889 482 D CB 0.218 40.997 40.800 -0.035 0.000 0.912 482 D HN 0.415 nan 8.370 nan 0.000 0.524 483 L N -1.585 119.588 121.223 -0.083 0.000 2.445 483 L HA 0.052 3.753 4.340 -1.065 0.000 0.207 483 L C 1.165 177.885 176.870 -0.250 0.000 1.053 483 L CA 0.260 54.993 54.840 -0.178 0.000 0.841 483 L CB 0.252 42.170 42.059 -0.235 0.000 1.074 483 L HN -0.012 nan 8.230 nan 0.000 0.479 484 Y N -0.135 120.125 120.300 -0.067 0.000 2.497 484 Y HA 0.023 3.933 4.550 -1.066 0.000 0.265 484 Y C 1.206 177.018 175.900 -0.146 0.000 1.111 484 Y CA -0.343 57.719 58.100 -0.064 0.000 1.288 484 Y CB 0.409 38.845 38.460 -0.040 0.000 1.082 484 Y HN -0.037 nan 8.280 nan 0.000 0.536 485 K N -0.643 119.700 120.400 -0.094 0.000 3.553 485 K HA -0.263 3.417 4.320 -1.065 0.000 0.280 485 K C 0.386 176.832 176.600 -0.257 0.000 1.061 485 K CA 1.665 57.742 56.287 -0.349 0.000 1.101 485 K CB -1.889 30.084 32.500 -0.878 0.000 1.421 485 K HN 0.368 nan 8.250 nan 0.000 0.440 486 T N -0.715 113.813 114.554 -0.044 0.000 3.097 486 T HA 0.427 4.137 4.350 -1.065 0.000 0.332 486 T C -2.479 172.259 174.700 0.063 0.000 1.269 486 T CA -1.252 60.880 62.100 0.052 0.000 1.076 486 T CB 2.165 71.140 68.868 0.178 0.000 1.209 486 T HN -0.279 nan 8.240 nan 0.000 0.474 487 P HA -0.076 nan 4.420 nan 0.000 0.217 487 P C 0.902 178.258 177.300 0.094 0.000 1.148 487 P CA 0.991 64.131 63.100 0.066 0.000 0.828 487 P CB 0.191 31.960 31.700 0.116 0.000 0.783 488 D N -1.251 119.200 120.400 0.085 0.000 2.182 488 D HA -0.120 3.881 4.640 -1.065 0.000 0.201 488 D C 1.275 177.588 176.300 0.021 0.000 0.986 488 D CA 1.040 55.077 54.000 0.061 0.000 0.847 488 D CB -0.603 40.225 40.800 0.047 0.000 0.942 488 D HN 0.217 nan 8.370 nan 0.000 0.467 489 N N 0.149 118.858 118.700 0.014 0.000 2.353 489 N HA 0.055 4.156 4.740 -1.065 0.000 0.185 489 N C 0.478 175.830 175.510 -0.265 0.000 1.098 489 N CA -0.140 52.901 53.050 -0.016 0.000 0.872 489 N CB 0.653 39.229 38.487 0.148 0.000 0.970 489 N HN 0.215 nan 8.380 nan 0.000 0.467 490 I N 2.087 122.331 120.570 -0.543 0.000 2.741 490 I HA -0.130 3.401 4.170 -1.065 0.000 0.288 490 I C 0.404 176.230 176.117 -0.485 0.000 1.192 490 I CA 0.455 61.087 61.300 -1.112 0.000 1.426 490 I CB 0.350 37.890 38.000 -0.766 0.000 1.367 490 I HN -0.101 nan 8.210 nan 0.000 0.563 491 D N 6.890 127.051 120.400 -0.397 0.000 2.458 491 D HA -0.030 3.971 4.640 -1.065 0.000 0.243 491 D C 1.378 177.723 176.300 0.076 0.000 1.146 491 D CA -0.024 53.982 54.000 0.010 0.000 0.877 491 D CB 1.167 42.081 40.800 0.190 0.000 1.176 491 D HN 0.404 nan 8.370 nan 0.000 0.461 492 I N 2.467 123.126 120.570 0.148 0.000 2.068 492 I HA -0.297 3.234 4.170 -1.065 0.000 0.238 492 I C 2.117 178.342 176.117 0.181 0.000 1.046 492 I CA 1.597 63.005 61.300 0.181 0.000 1.306 492 I CB -0.622 37.404 38.000 0.043 0.000 1.023 492 I HN 0.685 nan 8.210 nan 0.000 0.399 493 W N 1.383 122.701 121.300 0.030 0.000 2.269 493 W HA -0.325 3.686 4.660 -1.082 0.000 0.336 493 W C 2.615 179.185 176.519 0.085 0.000 1.333 493 W CA 3.178 60.574 57.345 0.086 0.000 1.299 493 W CB -0.974 28.570 29.460 0.140 0.000 1.126 493 W HN 0.335 nan 8.180 nan 0.000 0.474 494 I N 0.089 120.661 120.570 0.004 0.000 2.163 494 I HA -0.095 3.436 4.170 -1.065 0.000 0.240 494 I C 2.422 178.409 176.117 -0.218 0.000 1.081 494 I CA 2.329 63.482 61.300 -0.244 0.000 1.353 494 I CB -1.229 36.785 38.000 0.024 0.000 1.054 494 I HN 0.131 nan 8.210 nan 0.000 0.407 495 G N 0.146 108.830 108.800 -0.193 0.000 2.469 495 G HA2 -0.281 3.040 3.960 -1.065 0.000 0.219 495 G HA3 -0.281 3.040 3.960 -1.065 0.000 0.219 495 G C 1.567 176.413 174.900 -0.091 0.000 1.150 495 G CA 0.871 45.734 45.100 -0.395 0.000 0.763 495 G HN 0.573 nan 8.290 nan 0.000 0.561 496 G N 0.803 109.650 108.800 0.078 0.000 2.433 496 G HA2 -0.226 3.095 3.960 -1.065 0.000 0.216 496 G HA3 -0.226 3.095 3.960 -1.065 0.000 0.216 496 G C 1.639 176.526 174.900 -0.022 0.000 1.186 496 G CA 0.965 46.131 45.100 0.109 0.000 0.779 496 G HN 0.519 nan 8.290 nan 0.000 0.543 497 N N 0.761 119.363 118.700 -0.164 0.000 2.585 497 N HA 0.111 4.212 4.740 -1.065 0.000 0.188 497 N C 2.113 177.531 175.510 -0.154 0.000 1.102 497 N CA 0.687 53.612 53.050 -0.209 0.000 0.920 497 N CB 0.002 38.214 38.487 -0.457 0.000 0.963 497 N HN 0.375 nan 8.380 nan 0.000 0.447 498 A N 0.722 123.463 122.820 -0.133 0.000 1.935 498 A HA -0.012 3.668 4.320 -1.065 0.000 0.214 498 A C 0.606 178.162 177.584 -0.047 0.000 1.178 498 A CA 0.349 52.325 52.037 -0.101 0.000 0.640 498 A CB -0.024 18.896 19.000 -0.134 0.000 0.825 498 A HN 0.275 nan 8.150 nan 0.000 0.447 499 E N 2.076 122.272 120.200 -0.007 0.000 2.465 499 E HA 0.151 3.862 4.350 -1.065 0.000 0.260 499 E C -2.313 174.290 176.600 0.006 0.000 0.980 499 E CA -1.607 54.808 56.400 0.025 0.000 0.927 499 E CB -0.001 29.742 29.700 0.073 0.000 0.934 499 E HN 0.362 nan 8.360 nan 0.000 0.459 500 P HA -0.094 nan 4.420 nan 0.000 0.268 500 P C -0.328 176.973 177.300 0.001 0.000 1.205 500 P CA 0.240 63.341 63.100 0.001 0.000 0.771 500 P CB 0.552 32.255 31.700 0.004 0.000 0.858 501 M N 2.101 121.698 119.600 -0.005 0.000 2.246 501 M HA 0.001 3.842 4.480 -1.065 0.000 0.327 501 M C 1.031 177.327 176.300 -0.006 0.000 1.090 501 M CA 0.259 55.552 55.300 -0.010 0.000 1.087 501 M CB -0.011 32.584 32.600 -0.010 0.000 1.587 501 M HN 0.229 nan 8.290 nan 0.000 0.444 502 V N -0.385 119.523 119.914 -0.010 0.000 3.336 502 V HA 0.295 3.776 4.120 -1.065 0.000 0.304 502 V C 0.311 176.398 176.094 -0.011 0.000 1.073 502 V CA -0.964 61.334 62.300 -0.003 0.000 1.074 502 V CB 0.762 32.588 31.823 0.005 0.000 1.161 502 V HN 0.838 nan 8.190 nan 0.000 0.460 503 E N 0.843 121.037 120.200 -0.009 0.000 2.414 503 E HA 0.060 3.771 4.350 -1.065 0.000 0.263 503 E C 0.429 177.015 176.600 -0.023 0.000 1.000 503 E CA -0.009 56.382 56.400 -0.015 0.000 0.914 503 E CB 0.185 29.877 29.700 -0.014 0.000 0.948 503 E HN 0.673 nan 8.360 nan 0.000 0.444 504 R N 0.921 121.404 120.500 -0.029 0.000 3.782 504 R HA -0.235 3.466 4.340 -1.065 0.000 0.276 504 R C 0.093 176.360 176.300 -0.056 0.000 1.178 504 R CA 0.919 56.994 56.100 -0.042 0.000 0.783 504 R CB -1.707 28.570 30.300 -0.039 0.000 1.146 504 R HN 0.668 nan 8.270 nan 0.000 0.507 505 G N -1.375 107.396 108.800 -0.048 0.000 3.140 505 G HA2 0.585 3.906 3.960 -1.065 0.000 0.271 505 G HA3 0.585 3.906 3.960 -1.065 0.000 0.271 505 G C 0.173 175.047 174.900 -0.044 0.000 1.370 505 G CA -0.578 44.486 45.100 -0.060 0.000 1.014 505 G HN 0.048 nan 8.290 nan 0.000 0.541 506 R N -0.579 119.891 120.500 -0.050 0.000 2.600 506 R HA 0.295 3.996 4.340 -1.065 0.000 0.392 506 R C -0.071 176.162 176.300 -0.112 0.000 1.032 506 R CA -0.092 56.001 56.100 -0.011 0.000 1.139 506 R CB 0.244 30.639 30.300 0.158 0.000 1.400 506 R HN 0.629 nan 8.270 nan 0.000 0.566 507 V N -3.769 116.047 119.914 -0.163 0.000 3.114 507 V HA 0.918 4.399 4.120 -1.065 0.000 0.308 507 V C 0.241 176.277 176.094 -0.095 0.000 1.168 507 V CA -0.972 61.205 62.300 -0.204 0.000 1.015 507 V CB 1.880 33.467 31.823 -0.392 0.000 1.050 507 V HN 0.084 nan 8.190 nan 0.000 0.433 508 G N 1.432 110.195 108.800 -0.063 0.000 2.651 508 G HA2 0.506 3.827 3.960 -1.065 0.000 0.260 508 G HA3 0.506 3.827 3.960 -1.065 0.000 0.260 508 G C -1.158 173.751 174.900 0.015 0.000 1.216 508 G CA -0.607 44.487 45.100 -0.010 0.000 0.913 508 G HN 0.733 nan 8.290 nan 0.000 0.535 509 P HA -0.158 nan 4.420 nan 0.000 0.216 509 P C 2.007 179.364 177.300 0.094 0.000 1.153 509 P CA 0.738 63.890 63.100 0.086 0.000 0.858 509 P CB 0.219 31.968 31.700 0.083 0.000 0.789 510 L N -0.337 120.929 121.223 0.072 0.000 1.948 510 L HA -0.139 3.562 4.340 -1.065 0.000 0.212 510 L C 2.583 179.465 176.870 0.020 0.000 1.074 510 L CA 1.836 56.714 54.840 0.063 0.000 0.753 510 L CB -1.576 40.528 42.059 0.073 0.000 0.888 510 L HN -0.188 nan 8.230 nan 0.000 0.432 511 L N 0.004 121.225 121.223 -0.003 0.000 2.089 511 L HA -0.266 3.435 4.340 -1.065 0.000 0.213 511 L C 2.782 179.607 176.870 -0.075 0.000 1.079 511 L CA 2.101 56.914 54.840 -0.044 0.000 0.758 511 L CB -2.209 39.799 42.059 -0.084 0.000 0.891 511 L HN 0.511 nan 8.230 nan 0.000 0.433 512 A N -0.802 121.987 122.820 -0.051 0.000 1.917 512 A HA -0.326 3.355 4.320 -1.065 0.000 0.219 512 A C 2.651 180.126 177.584 -0.181 0.000 1.182 512 A CA 2.040 54.064 52.037 -0.022 0.000 0.633 512 A CB -1.255 17.813 19.000 0.115 0.000 0.819 512 A HN 0.608 nan 8.150 nan 0.000 0.448 513 c N -0.302 118.151 118.600 -0.244 0.000 2.491 513 c HA -0.065 3.866 4.570 -1.065 0.000 0.283 513 c C 2.588 176.303 174.090 -0.625 0.000 1.238 513 c CA 1.295 57.147 56.329 -0.796 0.000 1.735 513 c CB -1.675 40.633 42.510 -0.337 0.000 2.080 513 c HN 0.587 nan 8.230 nan 0.000 0.463 514 L N 0.985 122.102 121.223 -0.176 0.000 2.010 514 L HA -0.240 3.461 4.340 -1.065 0.000 0.219 514 L C 2.731 179.656 176.870 0.091 0.000 1.077 514 L CA 2.101 56.980 54.840 0.065 0.000 0.773 514 L CB -0.883 41.202 42.059 0.043 0.000 0.892 514 L HN 0.464 nan 8.230 nan 0.000 0.436 515 L N -0.773 120.479 121.223 0.050 0.000 2.141 515 L HA -0.081 3.620 4.340 -1.065 0.000 0.209 515 L C 2.657 179.618 176.870 0.151 0.000 1.094 515 L CA 1.079 56.027 54.840 0.181 0.000 0.763 515 L CB -1.117 41.028 42.059 0.142 0.000 0.908 515 L HN 0.376 nan 8.230 nan 0.000 0.437 516 G N -0.124 108.637 108.800 -0.065 0.000 2.394 516 G HA2 -0.176 3.145 3.960 -1.065 0.000 0.214 516 G HA3 -0.176 3.145 3.960 -1.065 0.000 0.214 516 G C 1.747 176.665 174.900 0.031 0.000 1.176 516 G CA 0.135 45.235 45.100 0.001 0.000 0.786 516 G HN 0.208 nan 8.290 nan 0.000 0.533 517 R N -0.189 120.205 120.500 -0.178 0.000 2.083 517 R HA -0.114 3.587 4.340 -1.065 0.000 0.237 517 R C 2.647 178.958 176.300 0.018 0.000 1.137 517 R CA 1.665 57.711 56.100 -0.091 0.000 0.951 517 R CB -0.425 29.734 30.300 -0.235 0.000 0.851 517 R HN 0.373 nan 8.270 nan 0.000 0.434 518 Q N 0.369 120.191 119.800 0.037 0.000 2.030 518 Q HA -0.159 3.542 4.340 -1.065 0.000 0.204 518 Q C 1.783 177.622 176.000 -0.269 0.000 0.986 518 Q CA 1.835 57.521 55.803 -0.194 0.000 0.843 518 Q CB -0.318 27.872 28.738 -0.913 0.000 0.904 518 Q HN 0.194 nan 8.270 nan 0.000 0.420 519 F N 1.039 120.927 119.950 -0.104 0.000 2.134 519 F HA -0.194 3.673 4.527 -1.100 0.000 0.299 519 F C 2.534 178.468 175.800 0.223 0.000 1.097 519 F CA 1.794 59.834 58.000 0.066 0.000 1.264 519 F CB -0.868 38.138 39.000 0.011 0.000 1.001 519 F HN 0.360 nan 8.300 nan 0.000 0.479 520 Q N 0.453 120.464 119.800 0.351 0.000 2.077 520 Q HA -0.316 3.385 4.340 -1.065 0.000 0.206 520 Q C 2.148 178.224 176.000 0.127 0.000 0.989 520 Q CA 2.115 58.060 55.803 0.237 0.000 0.853 520 Q CB -0.555 28.299 28.738 0.192 0.000 0.907 520 Q HN 0.504 nan 8.270 nan 0.000 0.418 521 Q N 0.254 120.117 119.800 0.105 0.000 2.061 521 Q HA -0.175 3.526 4.340 -1.065 0.000 0.204 521 Q C 2.220 178.286 176.000 0.110 0.000 0.984 521 Q CA 2.080 57.933 55.803 0.084 0.000 0.846 521 Q CB -0.297 28.481 28.738 0.066 0.000 0.902 521 Q HN 0.736 nan 8.270 nan 0.000 0.421 522 I N -1.876 118.762 120.570 0.115 0.000 3.001 522 I HA -0.095 3.435 4.170 -1.065 0.000 0.268 522 I C 2.022 178.292 176.117 0.256 0.000 1.267 522 I CA 1.027 62.437 61.300 0.184 0.000 1.472 522 I CB -0.067 38.030 38.000 0.161 0.000 1.089 522 I HN -0.011 nan 8.210 nan 0.000 0.468 523 R N 0.990 121.502 120.500 0.021 0.000 2.175 523 R HA -0.005 3.696 4.340 -1.065 0.000 0.202 523 R C 0.885 176.979 176.300 -0.342 0.000 1.018 523 R CA 1.060 56.828 56.100 -0.552 0.000 1.029 523 R CB -0.113 29.475 30.300 -1.186 0.000 0.959 523 R HN 0.330 nan 8.270 nan 0.000 0.480 524 D N -0.455 119.930 120.400 -0.025 0.000 2.348 524 D HA 0.070 4.070 4.640 -1.065 0.000 0.211 524 D C 1.159 177.653 176.300 0.324 0.000 0.998 524 D CA 0.852 54.949 54.000 0.162 0.000 0.873 524 D CB 0.535 41.395 40.800 0.100 0.000 0.925 524 D HN 0.452 nan 8.370 nan 0.000 0.524 525 G N -0.010 108.999 108.800 0.347 0.000 3.192 525 G HA2 -0.020 3.300 3.960 -1.065 0.000 0.239 525 G HA3 -0.020 3.300 3.960 -1.065 0.000 0.239 525 G C -0.035 175.227 174.900 0.602 0.000 1.084 525 G CA -0.272 45.137 45.100 0.515 0.000 0.784 525 G HN -0.003 nan 8.290 nan 0.000 0.540 526 D N 0.364 121.038 120.400 0.456 0.000 2.411 526 D HA 0.183 4.184 4.640 -1.065 0.000 0.225 526 D C 1.612 177.859 176.300 -0.088 0.000 1.156 526 D CA -0.616 53.561 54.000 0.296 0.000 0.874 526 D CB 0.776 41.898 40.800 0.538 0.000 1.034 526 D HN 0.080 nan 8.370 nan 0.000 0.502 527 R N 2.724 122.926 120.500 -0.498 0.000 2.211 527 R HA -0.150 3.551 4.340 -1.065 0.000 0.240 527 R C 0.575 176.511 176.300 -0.606 0.000 1.144 527 R CA 1.335 56.865 56.100 -0.950 0.000 0.992 527 R CB -0.091 29.712 30.300 -0.829 0.000 0.869 527 R HN 0.450 nan 8.270 nan 0.000 0.462 528 F N -1.012 118.820 119.950 -0.197 0.000 2.695 528 F HA 0.129 4.017 4.527 -1.065 0.000 0.303 528 F C 0.633 176.484 175.800 0.084 0.000 1.091 528 F CA -0.729 57.230 58.000 -0.069 0.000 1.300 528 F CB 0.013 38.954 39.000 -0.097 0.000 1.071 528 F HN 0.090 nan 8.300 nan 0.000 0.578 529 W N 2.995 124.348 121.300 0.088 0.000 2.391 529 W HA -0.187 3.828 4.660 -1.075 0.000 0.339 529 W C 1.245 177.837 176.519 0.120 0.000 1.252 529 W CA -0.206 57.189 57.345 0.083 0.000 1.304 529 W CB 0.371 29.751 29.460 -0.133 0.000 1.179 529 W HN 0.473 nan 8.180 nan 0.000 0.567 530 W N 4.463 125.466 121.300 -0.496 0.000 2.355 530 W HA -0.170 3.850 4.660 -1.067 0.000 0.309 530 W C 1.328 177.875 176.519 0.046 0.000 1.206 530 W CA 1.464 58.766 57.345 -0.071 0.000 1.284 530 W CB -1.018 28.342 29.460 -0.167 0.000 1.145 530 W HN 0.473 nan 8.180 nan 0.000 0.502 531 E N 1.022 120.513 120.200 -1.182 0.000 2.331 531 E HA -0.211 3.500 4.350 -1.065 0.000 0.199 531 E C 0.414 176.989 176.600 -0.042 0.000 1.008 531 E CA 0.457 56.391 56.400 -0.777 0.000 0.843 531 E CB -0.386 28.797 29.700 -0.861 0.000 0.761 531 E HN 0.121 nan 8.360 nan 0.000 0.507 532 N N 1.432 120.221 118.700 0.148 0.000 2.458 532 N HA 0.004 4.105 4.740 -1.065 0.000 0.258 532 N C -2.660 172.926 175.510 0.128 0.000 1.219 532 N CA -1.182 52.027 53.050 0.266 0.000 0.902 532 N CB 0.732 39.369 38.487 0.251 0.000 1.076 532 N HN -0.243 nan 8.380 nan 0.000 0.455 533 P HA 0.194 nan 4.420 nan 0.000 0.271 533 P C 0.595 177.901 177.300 0.009 0.000 1.216 533 P CA 0.258 63.388 63.100 0.050 0.000 0.776 533 P CB 0.943 32.664 31.700 0.036 0.000 0.881 534 G N 0.728 109.527 108.800 -0.002 0.000 2.399 534 G HA2 -0.312 3.009 3.960 -1.065 0.000 0.216 534 G HA3 -0.312 3.009 3.960 -1.065 0.000 0.216 534 G C 1.130 175.982 174.900 -0.079 0.000 1.096 534 G CA 0.261 45.332 45.100 -0.049 0.000 0.650 534 G HN 0.376 nan 8.290 nan 0.000 0.512 535 V N 0.234 120.105 119.914 -0.070 0.000 2.255 535 V HA 0.196 3.677 4.120 -1.065 0.000 0.247 535 V C 1.326 177.254 176.094 -0.278 0.000 1.051 535 V CA 2.327 64.551 62.300 -0.128 0.000 1.018 535 V CB -0.414 31.413 31.823 0.007 0.000 0.641 535 V HN 0.349 nan 8.190 nan 0.000 0.445 536 F N -1.201 118.794 119.950 0.075 0.000 2.588 536 F HA 0.481 4.368 4.527 -1.067 0.000 0.314 536 F C 0.562 176.355 175.800 -0.012 0.000 1.069 536 F CA -0.692 57.333 58.000 0.042 0.000 0.931 536 F CB 1.700 40.771 39.000 0.117 0.000 1.260 536 F HN -0.069 nan 8.300 nan 0.000 0.465 537 T N -2.047 112.579 114.554 0.119 0.000 2.788 537 T HA 0.130 3.841 4.350 -1.065 0.000 0.287 537 T C 0.985 175.712 174.700 0.044 0.000 1.007 537 T CA -0.405 61.713 62.100 0.031 0.000 1.005 537 T CB 1.269 70.109 68.868 -0.046 0.000 1.012 537 T HN 0.793 nan 8.240 nan 0.000 0.530 538 E N 0.720 120.938 120.200 0.030 0.000 2.070 538 E HA -0.219 3.492 4.350 -1.065 0.000 0.197 538 E C 1.973 178.591 176.600 0.029 0.000 1.004 538 E CA 1.575 57.999 56.400 0.040 0.000 0.805 538 E CB -0.086 29.631 29.700 0.028 0.000 0.744 538 E HN 0.708 nan 8.360 nan 0.000 0.451 539 K N -0.001 120.395 120.400 -0.005 0.000 2.025 539 K HA -0.137 3.544 4.320 -1.065 0.000 0.207 539 K C 2.430 178.994 176.600 -0.059 0.000 1.049 539 K CA 1.396 57.672 56.287 -0.019 0.000 0.933 539 K CB -0.085 32.397 32.500 -0.030 0.000 0.714 539 K HN 0.150 nan 8.250 nan 0.000 0.438 540 Q N 0.299 119.992 119.800 -0.178 0.000 2.133 540 Q HA -0.228 3.473 4.340 -1.065 0.000 0.208 540 Q C 2.142 178.066 176.000 -0.126 0.000 0.991 540 Q CA 1.601 57.158 55.803 -0.410 0.000 0.867 540 Q CB -0.143 28.259 28.738 -0.561 0.000 0.911 540 Q HN 0.265 nan 8.270 nan 0.000 0.417 541 R N 0.559 121.076 120.500 0.028 0.000 2.070 541 R HA -0.130 3.571 4.340 -1.065 0.000 0.232 541 R C 1.936 178.325 176.300 0.149 0.000 1.138 541 R CA 1.363 57.561 56.100 0.164 0.000 0.936 541 R CB -0.433 30.021 30.300 0.256 0.000 0.839 541 R HN 0.308 nan 8.270 nan 0.000 0.429 542 D N 0.161 120.631 120.400 0.117 0.000 2.292 542 D HA -0.167 3.834 4.640 -1.065 0.000 0.205 542 D C 1.685 178.040 176.300 0.092 0.000 0.994 542 D CA 1.416 55.478 54.000 0.103 0.000 0.897 542 D CB 0.019 40.863 40.800 0.074 0.000 0.907 542 D HN 0.173 nan 8.370 nan 0.000 0.467 543 S N -0.933 114.827 115.700 0.100 0.000 2.492 543 S HA 0.083 3.914 4.470 -1.065 0.000 0.218 543 S C 1.894 176.552 174.600 0.097 0.000 1.016 543 S CA -0.237 58.036 58.200 0.123 0.000 0.916 543 S CB 0.270 63.603 63.200 0.222 0.000 0.791 543 S HN 0.150 nan 8.310 nan 0.000 0.513 544 L N 0.966 122.227 121.223 0.063 0.000 2.446 544 L HA 0.224 3.925 4.340 -1.065 0.000 0.219 544 L C 2.288 179.079 176.870 -0.131 0.000 1.116 544 L CA 0.503 55.299 54.840 -0.075 0.000 0.844 544 L CB -0.176 41.741 42.059 -0.237 0.000 0.970 544 L HN 0.303 nan 8.230 nan 0.000 0.457 545 Q N 0.029 119.817 119.800 -0.020 0.000 2.561 545 Q HA -0.146 3.555 4.340 -1.065 0.000 0.217 545 Q C 1.092 177.100 176.000 0.013 0.000 0.980 545 Q CA 0.923 56.740 55.803 0.024 0.000 0.927 545 Q CB 0.196 29.008 28.738 0.124 0.000 0.980 545 Q HN 0.399 nan 8.270 nan 0.000 0.525 546 K N -0.384 120.014 120.400 -0.003 0.000 2.402 546 K HA 0.112 3.793 4.320 -1.065 0.000 0.204 546 K C -0.036 176.560 176.600 -0.008 0.000 1.056 546 K CA -0.092 56.194 56.287 -0.000 0.000 1.069 546 K CB 1.146 33.648 32.500 0.004 0.000 0.888 546 K HN 0.009 nan 8.250 nan 0.000 0.546 547 V N 0.858 120.773 119.914 0.000 0.000 2.901 547 V HA 0.170 3.651 4.120 -1.065 0.000 0.307 547 V C 0.135 176.291 176.094 0.102 0.000 1.084 547 V CA -0.481 61.864 62.300 0.075 0.000 1.184 547 V CB 0.961 32.938 31.823 0.256 0.000 0.941 547 V HN 0.255 nan 8.190 nan 0.000 0.493 548 S N 2.455 118.232 115.700 0.129 0.000 2.556 548 S HA 0.569 4.400 4.470 -1.065 0.000 0.271 548 S C -0.248 174.409 174.600 0.096 0.000 1.135 548 S CA -0.516 57.722 58.200 0.063 0.000 0.858 548 S CB 1.488 64.656 63.200 -0.053 0.000 1.114 548 S HN 0.809 nan 8.310 nan 0.000 0.468 549 F N 2.369 122.242 119.950 -0.129 0.000 2.407 549 F HA 0.068 3.966 4.527 -1.049 0.000 0.299 549 F C 2.169 177.860 175.800 -0.182 0.000 1.097 549 F CA 1.489 59.386 58.000 -0.171 0.000 1.422 549 F CB -0.367 38.337 39.000 -0.492 0.000 1.067 549 F HN 0.663 nan 8.300 nan 0.000 0.539 550 S N 0.096 115.650 115.700 -0.242 0.000 2.368 550 S HA -0.183 3.648 4.470 -1.065 0.000 0.224 550 S C 1.984 176.418 174.600 -0.277 0.000 1.029 550 S CA 1.193 59.231 58.200 -0.269 0.000 0.988 550 S CB -0.361 62.710 63.200 -0.215 0.000 0.838 550 S HN 0.315 nan 8.310 nan 0.000 0.462 551 R N 1.377 121.740 120.500 -0.227 0.000 2.081 551 R HA 0.001 3.702 4.340 -1.065 0.000 0.235 551 R C 2.149 178.278 176.300 -0.285 0.000 1.131 551 R CA 0.912 56.885 56.100 -0.212 0.000 0.960 551 R CB -0.944 29.254 30.300 -0.171 0.000 0.856 551 R HN 0.349 nan 8.270 nan 0.000 0.436 552 L N 0.415 121.406 121.223 -0.387 0.000 1.978 552 L HA -0.230 3.471 4.340 -1.065 0.000 0.218 552 L C 1.869 178.488 176.870 -0.418 0.000 1.075 552 L CA 1.891 56.448 54.840 -0.472 0.000 0.767 552 L CB -0.674 41.018 42.059 -0.610 0.000 0.890 552 L HN 0.251 nan 8.230 nan 0.000 0.434 553 I N -0.613 119.644 120.570 -0.521 0.000 2.145 553 I HA -0.416 3.114 4.170 -1.065 0.000 0.244 553 I C 2.695 178.695 176.117 -0.195 0.000 1.075 553 I CA 1.688 62.779 61.300 -0.348 0.000 1.332 553 I CB -1.898 35.920 38.000 -0.302 0.000 1.033 553 I HN 0.452 nan 8.210 nan 0.000 0.410 554 c N 1.091 119.585 118.600 -0.177 0.000 2.440 554 c HA -0.192 3.739 4.570 -1.065 0.000 0.282 554 c C 2.474 176.510 174.090 -0.089 0.000 1.223 554 c CA 0.865 57.131 56.329 -0.104 0.000 1.744 554 c CB -1.174 41.276 42.510 -0.101 0.000 2.061 554 c HN 0.515 nan 8.230 nan 0.000 0.456 555 D N 0.676 121.005 120.400 -0.120 0.000 2.315 555 D HA -0.091 3.910 4.640 -1.065 0.000 0.211 555 D C 0.921 177.171 176.300 -0.083 0.000 0.977 555 D CA 1.155 55.095 54.000 -0.100 0.000 0.894 555 D CB -0.541 40.177 40.800 -0.137 0.000 0.910 555 D HN 0.566 nan 8.370 nan 0.000 0.490 556 N N -0.171 118.467 118.700 -0.103 0.000 2.351 556 N HA 0.046 4.147 4.740 -1.065 0.000 0.254 556 N C -0.189 175.266 175.510 -0.092 0.000 1.241 556 N CA 0.133 53.128 53.050 -0.092 0.000 0.883 556 N CB 1.480 39.898 38.487 -0.115 0.000 1.202 556 N HN 0.224 nan 8.380 nan 0.000 0.512 557 T N -3.880 110.634 114.554 -0.068 0.000 2.693 557 T HA 0.292 4.003 4.350 -1.065 0.000 0.304 557 T C -0.458 174.269 174.700 0.045 0.000 1.471 557 T CA -0.538 61.506 62.100 -0.094 0.000 0.993 557 T CB 1.324 70.157 68.868 -0.058 0.000 1.554 557 T HN 0.121 nan 8.240 nan 0.000 0.496 558 H N -0.280 118.778 119.070 -0.020 0.000 2.503 558 H HA 0.453 4.371 4.556 -1.064 0.000 0.296 558 H C -0.176 175.133 175.328 -0.032 0.000 1.097 558 H CA -0.543 55.485 56.048 -0.035 0.000 1.055 558 H CB 0.031 29.755 29.762 -0.062 0.000 1.580 558 H HN 0.302 nan 8.280 nan 0.000 0.546 559 I N 1.441 122.067 120.570 0.093 0.000 2.353 559 I HA 0.052 3.583 4.170 -1.065 0.000 0.293 559 I C 1.297 177.463 176.117 0.083 0.000 0.992 559 I CA -0.123 61.222 61.300 0.076 0.000 1.268 559 I CB 1.755 39.800 38.000 0.075 0.000 1.387 559 I HN 0.218 nan 8.210 nan 0.000 0.478 560 T N 0.959 115.577 114.554 0.107 0.000 3.010 560 T HA 0.238 3.949 4.350 -1.065 0.000 0.257 560 T C 0.500 175.281 174.700 0.134 0.000 1.020 560 T CA -0.167 61.988 62.100 0.092 0.000 0.938 560 T CB 0.249 69.159 68.868 0.069 0.000 1.049 560 T HN 0.336 nan 8.240 nan 0.000 0.522 561 K N 2.519 123.064 120.400 0.242 0.000 2.450 561 K HA 0.636 4.317 4.320 -1.065 0.000 0.257 561 K C -0.872 175.939 176.600 0.353 0.000 0.953 561 K CA -0.599 55.879 56.287 0.318 0.000 0.844 561 K CB 2.391 35.178 32.500 0.480 0.000 1.103 561 K HN 0.317 nan 8.250 nan 0.000 0.429 562 V N 0.004 119.968 119.914 0.082 0.000 2.971 562 V HA 0.624 4.105 4.120 -1.065 0.000 0.309 562 V C -2.964 172.904 176.094 -0.376 0.000 1.130 562 V CA -2.667 59.521 62.300 -0.186 0.000 0.964 562 V CB 2.181 33.928 31.823 -0.126 0.000 1.029 562 V HN 0.392 nan 8.190 nan 0.000 0.427 563 P HA 0.386 nan 4.420 nan 0.000 0.276 563 P C 0.615 177.723 177.300 -0.320 0.000 1.244 563 P CA -0.491 62.310 63.100 -0.499 0.000 0.801 563 P CB 0.738 32.072 31.700 -0.610 0.000 1.006 564 L N 0.536 121.594 121.223 -0.275 0.000 2.072 564 L HA -0.067 3.634 4.340 -1.065 0.000 0.205 564 L C 1.157 177.672 176.870 -0.592 0.000 1.079 564 L CA 1.941 56.528 54.840 -0.422 0.000 0.752 564 L CB -1.815 39.952 42.059 -0.487 0.000 0.906 564 L HN 0.474 nan 8.230 nan 0.000 0.436 565 H N -0.032 118.972 119.070 -0.109 0.000 2.486 565 H HA 0.398 4.314 4.556 -1.067 0.000 0.239 565 H C 1.181 176.454 175.328 -0.092 0.000 1.480 565 H CA 0.161 56.169 56.048 -0.066 0.000 1.324 565 H CB 0.558 30.308 29.762 -0.020 0.000 1.486 565 H HN 0.076 nan 8.280 nan 0.000 0.544 566 A N 1.300 124.038 122.820 -0.138 0.000 2.285 566 A HA -0.163 3.518 4.320 -1.065 0.000 0.214 566 A C 1.110 178.586 177.584 -0.181 0.000 1.188 566 A CA 1.102 53.021 52.037 -0.196 0.000 0.707 566 A CB -0.613 18.245 19.000 -0.237 0.000 0.771 566 A HN 0.337 nan 8.150 nan 0.000 0.488 567 F N -0.431 119.558 119.950 0.064 0.000 2.582 567 F HA 0.105 3.991 4.527 -1.068 0.000 0.290 567 F C 1.833 177.644 175.800 0.017 0.000 1.115 567 F CA 0.341 58.382 58.000 0.068 0.000 1.445 567 F CB -0.164 38.881 39.000 0.074 0.000 1.126 567 F HN 0.453 nan 8.300 nan 0.000 0.574 568 Q N 0.640 120.545 119.800 0.175 0.000 2.270 568 Q HA 0.653 4.354 4.340 -1.065 0.000 0.167 568 Q C 0.000 176.052 176.000 0.086 0.000 1.023 568 Q CA -0.880 54.966 55.803 0.071 0.000 1.070 568 Q CB 0.397 29.151 28.738 0.027 0.000 1.504 568 Q HN 0.025 nan 8.270 nan 0.000 0.536 569 A N 0.417 123.276 122.820 0.065 0.000 2.371 569 A HA 0.379 4.060 4.320 -1.065 0.000 0.257 569 A C -0.828 176.816 177.584 0.101 0.000 1.089 569 A CA -0.349 51.743 52.037 0.090 0.000 0.794 569 A CB -0.336 18.709 19.000 0.075 0.000 1.029 569 A HN 0.747 nan 8.150 nan 0.000 0.488 570 N N 1.575 120.364 118.700 0.149 0.000 2.572 570 N HA 0.179 4.279 4.740 -1.065 0.000 0.287 570 N C -1.672 174.033 175.510 0.325 0.000 1.136 570 N CA -0.578 52.595 53.050 0.204 0.000 0.900 570 N CB 1.320 39.886 38.487 0.132 0.000 1.484 570 N HN 0.656 nan 8.380 nan 0.000 0.526 571 N N 1.437 120.278 118.700 0.236 0.000 2.499 571 N HA 0.121 4.222 4.740 -1.065 0.000 0.281 571 N C -1.088 174.455 175.510 0.054 0.000 1.098 571 N CA -0.077 53.063 53.050 0.150 0.000 0.979 571 N CB 1.289 39.842 38.487 0.110 0.000 1.121 571 N HN 0.468 nan 8.380 nan 0.000 0.466 572 Y N 3.628 123.731 120.300 -0.329 0.000 2.304 572 Y HA 0.278 4.188 4.550 -1.066 0.000 0.328 572 Y C -1.261 174.491 175.900 -0.247 0.000 1.123 572 Y CA -1.156 56.554 58.100 -0.650 0.000 1.218 572 Y CB 1.047 38.946 38.460 -0.934 0.000 1.207 572 Y HN 0.481 nan 8.280 nan 0.000 0.495 573 P HA 0.049 nan 4.420 nan 0.000 0.282 573 P C 0.543 177.615 177.300 -0.380 0.000 1.327 573 P CA 0.457 62.838 63.100 -1.199 0.000 0.949 573 P CB 0.233 31.049 31.700 -1.473 0.000 1.445 574 H N 1.918 120.860 119.070 -0.214 0.000 2.387 574 H HA -0.100 3.817 4.556 -1.065 0.000 0.299 574 H C 1.009 176.355 175.328 0.029 0.000 1.099 574 H CA 2.075 58.080 56.048 -0.072 0.000 1.315 574 H CB -0.301 29.437 29.762 -0.040 0.000 1.380 574 H HN -0.049 nan 8.280 nan 0.000 0.513 575 D N -0.525 119.797 120.400 -0.129 0.000 2.340 575 D HA -0.005 3.996 4.640 -1.065 0.000 0.220 575 D C -0.424 175.892 176.300 0.028 0.000 1.039 575 D CA 0.166 54.085 54.000 -0.136 0.000 0.866 575 D CB -0.058 40.763 40.800 0.036 0.000 0.913 575 D HN 0.210 nan 8.370 nan 0.000 0.523 576 F N 1.061 120.879 119.950 -0.219 0.000 2.421 576 F HA 0.317 4.205 4.527 -1.065 0.000 0.337 576 F C 0.751 176.478 175.800 -0.122 0.000 1.105 576 F CA -1.536 56.379 58.000 -0.141 0.000 1.049 576 F CB 1.339 40.277 39.000 -0.104 0.000 1.139 576 F HN -0.313 nan 8.300 nan 0.000 0.479 577 V N -1.119 118.820 119.914 0.041 0.000 3.155 577 V HA 0.612 4.093 4.120 -1.065 0.000 0.313 577 V C -0.978 175.140 176.094 0.039 0.000 1.162 577 V CA -1.093 61.217 62.300 0.016 0.000 1.048 577 V CB 1.831 33.634 31.823 -0.033 0.000 1.092 577 V HN 0.562 nan 8.190 nan 0.000 0.447 578 D N 0.064 120.481 120.400 0.028 0.000 2.345 578 D HA 0.279 4.280 4.640 -1.065 0.000 0.247 578 D C 0.967 177.269 176.300 0.004 0.000 1.108 578 D CA 0.174 54.194 54.000 0.033 0.000 0.894 578 D CB 1.391 42.206 40.800 0.025 0.000 1.203 578 D HN 0.737 nan 8.370 nan 0.000 0.430 579 c N 1.568 120.172 118.600 0.005 0.000 2.400 579 c HA -0.144 3.787 4.570 -1.065 0.000 0.291 579 c C 2.419 176.490 174.090 -0.032 0.000 1.372 579 c CA 1.333 57.648 56.329 -0.024 0.000 1.800 579 c CB -1.539 40.958 42.510 -0.021 0.000 1.869 579 c HN 0.738 nan 8.230 nan 0.000 0.533 580 S N 0.233 115.922 115.700 -0.019 0.000 2.561 580 S HA 0.149 3.980 4.470 -1.065 0.000 0.225 580 S C 1.575 176.161 174.600 -0.024 0.000 0.977 580 S CA 0.900 59.088 58.200 -0.021 0.000 0.926 580 S CB -0.196 62.997 63.200 -0.012 0.000 0.769 580 S HN 0.625 nan 8.310 nan 0.000 0.533 581 A N 1.275 124.078 122.820 -0.028 0.000 2.195 581 A HA 0.519 4.200 4.320 -1.065 0.000 0.210 581 A C 0.873 178.429 177.584 -0.046 0.000 1.165 581 A CA -0.109 51.909 52.037 -0.032 0.000 0.806 581 A CB -0.352 18.630 19.000 -0.030 0.000 0.847 581 A HN 0.794 nan 8.150 nan 0.000 0.482 582 I N -1.195 119.340 120.570 -0.058 0.000 2.493 582 I HA 0.495 4.026 4.170 -1.065 0.000 0.298 582 I C -1.225 174.854 176.117 -0.063 0.000 0.998 582 I CA -0.939 60.317 61.300 -0.073 0.000 1.137 582 I CB 1.419 39.358 38.000 -0.102 0.000 1.310 582 I HN 0.004 nan 8.210 nan 0.000 0.445 583 D N 5.026 125.391 120.400 -0.057 0.000 2.341 583 D HA -0.005 3.996 4.640 -1.065 0.000 0.233 583 D C 0.134 176.399 176.300 -0.058 0.000 1.270 583 D CA 0.584 54.556 54.000 -0.047 0.000 0.883 583 D CB 0.489 41.267 40.800 -0.036 0.000 1.207 583 D HN 0.574 nan 8.370 nan 0.000 0.471 584 K N -0.384 119.986 120.400 -0.050 0.000 2.438 584 K HA 0.223 3.904 4.320 -1.065 0.000 0.206 584 K C -0.657 175.898 176.600 -0.074 0.000 1.081 584 K CA -0.501 55.747 56.287 -0.065 0.000 1.053 584 K CB 0.531 32.998 32.500 -0.055 0.000 0.908 584 K HN 0.337 nan 8.250 nan 0.000 0.556 585 L N 2.639 123.830 121.223 -0.053 0.000 3.162 585 L HA -0.160 3.541 4.340 -1.065 0.000 0.673 585 L C -1.154 175.692 176.870 -0.040 0.000 1.045 585 L CA 0.221 55.028 54.840 -0.055 0.000 1.297 585 L CB -0.945 41.040 42.059 -0.124 0.000 1.732 585 L HN 0.228 nan 8.230 nan 0.000 0.855 586 D N 4.592 125.004 120.400 0.021 0.000 2.343 586 D HA 0.267 4.268 4.640 -1.065 0.000 0.255 586 D C 1.015 177.385 176.300 0.116 0.000 1.187 586 D CA -0.077 53.950 54.000 0.045 0.000 0.875 586 D CB 0.648 41.484 40.800 0.060 0.000 1.136 586 D HN 0.620 nan 8.370 nan 0.000 0.469 587 L N 3.140 124.397 121.223 0.058 0.000 2.611 587 L HA 0.013 3.714 4.340 -1.065 0.000 0.229 587 L C 2.166 179.196 176.870 0.267 0.000 1.137 587 L CA 0.094 55.010 54.840 0.127 0.000 0.901 587 L CB -0.368 41.612 42.059 -0.131 0.000 1.098 587 L HN 0.467 nan 8.230 nan 0.000 0.456 588 S N 0.925 116.731 115.700 0.176 0.000 2.400 588 S HA -0.073 3.758 4.470 -1.065 0.000 0.232 588 S C -0.177 174.521 174.600 0.163 0.000 1.025 588 S CA 0.842 59.119 58.200 0.129 0.000 0.993 588 S CB -1.387 61.859 63.200 0.077 0.000 0.808 588 S HN 0.337 nan 8.310 nan 0.000 0.478 589 P HA 0.012 nan 4.420 nan 0.000 0.237 589 P C 0.642 177.991 177.300 0.083 0.000 1.178 589 P CA 0.485 63.642 63.100 0.096 0.000 0.766 589 P CB -0.317 31.387 31.700 0.006 0.000 0.876 590 W N 0.526 121.863 121.300 0.061 0.000 3.290 590 W HA 0.336 4.356 4.660 -1.066 0.000 0.287 590 W C 0.385 176.911 176.519 0.012 0.000 1.288 590 W CA -0.368 57.040 57.345 0.105 0.000 1.725 590 W CB 0.220 29.756 29.460 0.126 0.000 1.103 590 W HN -0.080 nan 8.180 nan 0.000 0.670 591 A N 1.492 124.398 122.820 0.144 0.000 2.444 591 A HA 0.260 3.940 4.320 -1.065 0.000 0.287 591 A C 0.307 177.907 177.584 0.027 0.000 1.195 591 A CA 0.553 52.597 52.037 0.012 0.000 0.858 591 A CB 0.156 19.166 19.000 0.016 0.000 1.117 591 A HN -0.041 nan 8.150 nan 0.000 0.521 592 S N 1.903 117.602 115.700 -0.002 0.000 2.554 592 S HA 0.596 4.427 4.470 -1.065 0.000 0.278 592 S C 0.092 174.750 174.600 0.097 0.000 1.242 592 S CA -0.541 57.729 58.200 0.116 0.000 1.051 592 S CB 0.396 63.765 63.200 0.282 0.000 0.986 592 S HN 0.679 nan 8.310 nan 0.000 0.502 593 R N 2.655 123.211 120.500 0.092 0.000 2.468 593 R HA 0.241 3.942 4.340 -1.065 0.000 0.302 593 R C 0.351 176.671 176.300 0.033 0.000 1.041 593 R CA -0.684 55.444 56.100 0.047 0.000 0.899 593 R CB 1.133 31.448 30.300 0.025 0.000 1.167 593 R HN 0.614 nan 8.270 nan 0.000 0.483 594 E N 1.116 121.309 120.200 -0.012 0.000 2.965 594 E HA -0.363 3.347 4.350 -1.065 0.000 0.215 594 E C 0.130 176.735 176.600 0.008 0.000 0.862 594 E CA 1.744 58.125 56.400 -0.032 0.000 1.372 594 E CB -0.571 29.084 29.700 -0.075 0.000 1.425 594 E HN 0.611 nan 8.360 nan 0.000 0.458 595 N N 0.000 118.700 118.700 0.000 0.000 1.763 595 N HA 0.000 4.101 4.740 -1.065 0.000 0.220 595 N CA 0.000 53.055 53.050 0.008 0.000 0.885 595 N CB 0.000 38.488 38.487 0.001 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667