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 3gcj_1_A DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVKcDENSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLALPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SNEHSKTQcE EYcIQGDNcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLAREQI NAVTSFLDAS LVYGSEPXLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYLPFN NKKPSPcEFI NTTARVPcFL DATA SEQUENCE AGDFRASEQI LLATAHTLLL REHNRLAREL KKLNPHWNGE KLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKKSKLMNQD KMVTSELRNK LFQPTHKIHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQTV LKNKILAKKL MDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS TVDKLDLSPW 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 0.000 174.708 174.600 0.181 0.000 1.055 1 S CA 0.000 58.273 58.200 0.122 0.000 1.107 1 S CB 0.000 63.242 63.200 0.070 0.000 0.593 2 W N 3.336 124.656 121.300 0.034 0.000 1.902 2 W HA 0.438 5.056 4.660 -0.071 0.000 0.360 2 W C 0.675 177.219 176.519 0.043 0.000 1.414 2 W CA -0.129 57.240 57.345 0.039 0.000 1.457 2 W CB 0.299 29.786 29.460 0.044 0.000 1.279 2 W HN 0.520 nan 8.180 nan 0.000 0.665 3 E N 1.662 121.442 120.200 -0.700 0.000 2.214 3 E HA 0.008 4.316 4.350 -0.070 0.000 0.291 3 E C 0.931 176.999 176.600 -0.888 0.000 1.137 3 E CA 0.402 56.381 56.400 -0.702 0.000 1.175 3 E CB -0.749 28.575 29.700 -0.626 0.000 1.071 3 E HN 0.373 nan 8.360 nan 0.000 0.467 4 V N 0.799 120.455 119.914 -0.430 0.000 2.878 4 V HA 0.185 4.263 4.120 -0.070 0.000 0.250 4 V C 1.849 177.844 176.094 -0.165 0.000 1.075 4 V CA 1.141 63.282 62.300 -0.264 0.000 1.096 4 V CB -0.458 31.348 31.823 -0.028 0.000 0.724 4 V HN 0.394 nan 8.190 nan 0.000 0.467 5 G N -0.352 108.372 108.800 -0.127 0.000 2.575 5 G HA2 -0.205 3.713 3.960 -0.070 0.000 0.215 5 G HA3 -0.205 3.713 3.960 -0.070 0.000 0.215 5 G C 0.860 175.719 174.900 -0.067 0.000 1.262 5 G CA 1.031 46.087 45.100 -0.073 0.000 0.807 5 G HN 0.548 nan 8.290 nan 0.000 0.567 6 c N 1.193 119.753 118.600 -0.068 0.000 2.012 6 c HA 0.383 4.911 4.570 -0.070 0.000 0.398 6 c C 1.225 175.272 174.090 -0.070 0.000 1.533 6 c CA 0.892 57.181 56.329 -0.067 0.000 1.483 6 c CB -0.983 41.481 42.510 -0.076 0.000 2.626 6 c HN 0.811 nan 8.230 nan 0.000 0.572 7 G N 2.873 111.633 108.800 -0.067 0.000 3.748 7 G HA2 0.563 4.481 3.960 -0.070 0.000 0.292 7 G HA3 0.563 4.481 3.960 -0.070 0.000 0.292 7 G C -0.164 174.699 174.900 -0.062 0.000 3.340 7 G CA 0.483 45.550 45.100 -0.056 0.000 0.603 7 G HN 1.090 nan 8.290 nan 0.000 0.290 8 A N 2.303 125.070 122.820 -0.089 0.000 1.970 8 A HA 0.501 4.779 4.320 -0.070 0.000 0.204 8 A C -0.022 177.506 177.584 -0.094 0.000 1.325 8 A CA 0.506 52.485 52.037 -0.097 0.000 0.767 8 A CB -0.248 18.670 19.000 -0.137 0.000 0.949 8 A HN 0.369 nan 8.150 nan 0.000 0.481 9 P HA 0.045 nan 4.420 nan 0.000 0.234 9 P C 0.174 177.438 177.300 -0.061 0.000 1.167 9 P CA 0.781 63.821 63.100 -0.100 0.000 0.763 9 P CB -0.198 31.429 31.700 -0.123 0.000 0.835 10 V N -3.697 116.190 119.914 -0.045 0.000 3.262 10 V HA 0.371 4.449 4.120 -0.070 0.000 0.313 10 V C -1.085 175.001 176.094 -0.013 0.000 1.070 10 V CA -1.742 60.547 62.300 -0.018 0.000 1.049 10 V CB -1.147 30.671 31.823 -0.008 0.000 1.157 10 V HN -0.183 nan 8.190 nan 0.000 0.454 11 P HA 0.203 nan 4.420 nan 0.000 0.230 11 P C -0.411 176.892 177.300 0.005 0.000 1.291 11 P CA 0.209 63.314 63.100 0.008 0.000 0.702 11 P CB -0.019 31.694 31.700 0.022 0.000 0.903 12 L N -2.443 118.788 121.223 0.013 0.000 2.429 12 L HA 0.246 4.545 4.340 -0.070 0.000 0.254 12 L C -1.202 175.678 176.870 0.018 0.000 1.287 12 L CA -0.080 54.768 54.840 0.013 0.000 0.812 12 L CB -0.184 41.880 42.059 0.008 0.000 0.994 12 L HN 0.064 nan 8.230 nan 0.000 0.581 13 V N -2.013 117.915 119.914 0.025 0.000 3.206 13 V HA 0.643 4.721 4.120 -0.070 0.000 0.305 13 V C -0.398 175.714 176.094 0.030 0.000 1.257 13 V CA -1.046 61.270 62.300 0.026 0.000 1.057 13 V CB 2.057 33.897 31.823 0.029 0.000 1.075 13 V HN 0.349 nan 8.190 nan 0.000 0.443 14 K N -0.023 120.394 120.400 0.028 0.000 2.098 14 K HA 0.659 4.937 4.320 -0.070 0.000 0.261 14 K C -1.105 175.515 176.600 0.034 0.000 0.987 14 K CA -0.420 55.885 56.287 0.029 0.000 0.916 14 K CB 1.466 33.980 32.500 0.024 0.000 1.039 14 K HN 0.930 nan 8.250 nan 0.000 0.455 15 c N 2.268 120.891 118.600 0.038 0.000 2.319 15 c HA 0.241 4.769 4.570 -0.070 0.000 0.335 15 c C -0.394 173.717 174.090 0.035 0.000 1.274 15 c CA -0.741 55.614 56.329 0.043 0.000 1.806 15 c CB 0.475 43.016 42.510 0.052 0.000 2.329 15 c HN 0.753 nan 8.230 nan 0.000 0.524 16 D N 1.840 122.260 120.400 0.035 0.000 2.428 16 D HA 0.126 4.724 4.640 -0.070 0.000 0.221 16 D C 0.844 177.162 176.300 0.030 0.000 1.123 16 D CA -0.107 53.909 54.000 0.026 0.000 0.869 16 D CB 0.531 41.344 40.800 0.021 0.000 1.032 16 D HN 0.626 nan 8.370 nan 0.000 0.506 17 E N 2.271 122.486 120.200 0.025 0.000 2.472 17 E HA -0.081 4.227 4.350 -0.070 0.000 0.200 17 E C 0.374 176.979 176.600 0.009 0.000 1.046 17 E CA 0.455 56.869 56.400 0.024 0.000 0.871 17 E CB 0.120 29.832 29.700 0.020 0.000 0.806 17 E HN 0.465 nan 8.360 nan 0.000 0.533 18 N N -0.234 118.466 118.700 -0.000 0.000 2.235 18 N HA 0.025 4.723 4.740 -0.070 0.000 0.231 18 N C -0.692 174.794 175.510 -0.040 0.000 1.177 18 N CA -0.150 52.887 53.050 -0.021 0.000 0.874 18 N CB 1.075 39.547 38.487 -0.025 0.000 1.097 18 N HN -0.140 nan 8.380 nan 0.000 0.518 19 S N 1.385 117.073 115.700 -0.020 0.000 2.531 19 S HA 0.163 4.591 4.470 -0.070 0.000 0.279 19 S C -1.437 173.099 174.600 -0.107 0.000 1.305 19 S CA -1.179 56.982 58.200 -0.066 0.000 1.058 19 S CB 0.642 63.834 63.200 -0.013 0.000 0.899 19 S HN 0.188 nan 8.310 nan 0.000 0.493 20 P HA 0.137 nan 4.420 nan 0.000 0.249 20 P C -0.864 176.117 177.300 -0.531 0.000 1.229 20 P CA 0.209 63.049 63.100 -0.433 0.000 0.788 20 P CB -0.098 31.192 31.700 -0.682 0.000 1.072 21 Y N -0.099 120.108 120.300 -0.155 0.000 2.468 21 Y HA 0.451 4.956 4.550 -0.076 0.000 0.342 21 Y C 1.230 176.756 175.900 -0.623 0.000 1.021 21 Y CA -1.439 56.436 58.100 -0.376 0.000 1.079 21 Y CB 1.593 39.903 38.460 -0.251 0.000 1.226 21 Y HN -0.371 nan 8.280 nan 0.000 0.460 22 R N 0.760 120.832 120.500 -0.713 0.000 2.694 22 R HA 0.187 4.485 4.340 -0.070 0.000 0.268 22 R C 0.166 176.305 176.300 -0.268 0.000 1.061 22 R CA -0.168 55.499 56.100 -0.720 0.000 1.133 22 R CB 0.372 30.336 30.300 -0.560 0.000 1.020 22 R HN 0.743 nan 8.270 nan 0.000 0.475 23 T N -1.123 113.343 114.554 -0.146 0.000 2.788 23 T HA 0.152 4.460 4.350 -0.070 0.000 0.287 23 T C 1.517 176.212 174.700 -0.009 0.000 1.007 23 T CA -0.886 61.193 62.100 -0.036 0.000 1.005 23 T CB 0.678 69.557 68.868 0.019 0.000 1.012 23 T HN 0.295 nan 8.240 nan 0.000 0.530 24 I N 1.566 122.151 120.570 0.025 0.000 2.353 24 I HA -0.088 4.040 4.170 -0.070 0.000 0.248 24 I C 2.748 178.917 176.117 0.086 0.000 1.119 24 I CA 1.756 63.089 61.300 0.055 0.000 1.417 24 I CB -1.452 36.586 38.000 0.064 0.000 1.078 24 I HN 0.968 nan 8.210 nan 0.000 0.421 25 T N -2.477 112.129 114.554 0.086 0.000 3.081 25 T HA 0.234 4.542 4.350 -0.070 0.000 0.255 25 T C 1.601 176.394 174.700 0.155 0.000 1.113 25 T CA 0.768 62.931 62.100 0.106 0.000 1.082 25 T CB 0.335 69.254 68.868 0.085 0.000 0.939 25 T HN 0.448 nan 8.240 nan 0.000 0.506 26 G N 1.166 110.076 108.800 0.183 0.000 2.234 26 G HA2 -0.211 3.707 3.960 -0.070 0.000 0.235 26 G HA3 -0.211 3.707 3.960 -0.070 0.000 0.235 26 G C -0.157 174.922 174.900 0.298 0.000 0.997 26 G CA -0.021 45.274 45.100 0.325 0.000 0.623 26 G HN 0.586 nan 8.290 nan 0.000 0.514 27 D N -0.252 120.260 120.400 0.188 0.000 2.419 27 D HA 0.312 4.910 4.640 -0.070 0.000 0.236 27 D C 1.472 177.856 176.300 0.139 0.000 1.165 27 D CA 1.273 55.368 54.000 0.157 0.000 0.882 27 D CB 0.808 41.672 40.800 0.107 0.000 1.201 27 D HN 0.832 nan 8.370 nan 0.000 0.443 28 c N 0.911 119.593 118.600 0.137 0.000 4.593 28 c HA -0.166 4.362 4.570 -0.070 0.000 0.263 28 c C 1.978 176.152 174.090 0.140 0.000 1.378 28 c CA 0.056 56.458 56.329 0.122 0.000 1.666 28 c CB -2.551 40.018 42.510 0.099 0.000 1.603 28 c HN 0.782 nan 8.230 nan 0.000 0.704 29 N N 1.814 120.600 118.700 0.144 0.000 2.109 29 N HA -0.093 4.605 4.740 -0.070 0.000 0.188 29 N C 0.455 176.006 175.510 0.068 0.000 1.034 29 N CA 1.303 54.392 53.050 0.066 0.000 0.846 29 N CB -0.086 38.270 38.487 -0.218 0.000 1.010 29 N HN 0.807 nan 8.380 nan 0.000 0.425 30 N N 0.864 119.667 118.700 0.172 0.000 2.434 30 N HA 0.083 4.781 4.740 -0.070 0.000 0.272 30 N C 0.662 176.261 175.510 0.148 0.000 1.040 30 N CA -0.115 53.058 53.050 0.204 0.000 0.956 30 N CB 1.034 39.671 38.487 0.250 0.000 1.108 30 N HN 0.136 nan 8.380 nan 0.000 0.481 31 R N 2.511 123.088 120.500 0.128 0.000 2.090 31 R HA 0.037 4.335 4.340 -0.070 0.000 0.228 31 R C 1.706 178.058 176.300 0.086 0.000 1.110 31 R CA 1.243 57.398 56.100 0.092 0.000 0.973 31 R CB 0.230 30.574 30.300 0.072 0.000 0.869 31 R HN 0.563 nan 8.270 nan 0.000 0.440 32 R N -0.825 119.729 120.500 0.091 0.000 2.119 32 R HA 0.062 4.360 4.340 -0.070 0.000 0.222 32 R C 0.648 176.999 176.300 0.086 0.000 1.088 32 R CA 0.754 56.900 56.100 0.077 0.000 0.984 32 R CB 0.230 30.570 30.300 0.067 0.000 0.884 32 R HN -0.101 nan 8.270 nan 0.000 0.447 33 S N 0.204 115.969 115.700 0.107 0.000 2.395 33 S HA 0.282 4.710 4.470 -0.070 0.000 0.207 33 S C -2.212 172.467 174.600 0.132 0.000 1.454 33 S CA -1.732 56.537 58.200 0.115 0.000 1.211 33 S CB 1.077 64.353 63.200 0.126 0.000 1.093 33 S HN -0.130 nan 8.310 nan 0.000 0.472 34 P HA -0.094 nan 4.420 nan 0.000 0.217 34 P C 1.132 178.516 177.300 0.140 0.000 1.151 34 P CA 1.199 64.372 63.100 0.121 0.000 0.849 34 P CB 0.187 31.942 31.700 0.093 0.000 0.787 35 A N -1.667 121.228 122.820 0.125 0.000 2.208 35 A HA 0.027 4.305 4.320 -0.070 0.000 0.209 35 A C 0.900 178.572 177.584 0.147 0.000 1.161 35 A CA -0.005 52.106 52.037 0.123 0.000 0.782 35 A CB -1.092 17.961 19.000 0.088 0.000 0.816 35 A HN 0.101 nan 8.150 nan 0.000 0.477 36 L N 0.729 122.058 121.223 0.177 0.000 2.597 36 L HA 0.394 4.692 4.340 -0.070 0.000 0.271 36 L C 1.381 178.390 176.870 0.232 0.000 1.157 36 L CA 1.553 56.508 54.840 0.192 0.000 0.928 36 L CB -0.131 42.057 42.059 0.216 0.000 1.216 36 L HN 0.618 nan 8.230 nan 0.000 0.481 37 G N 2.743 111.583 108.800 0.066 0.000 2.175 37 G HA2 -0.197 3.721 3.960 -0.070 0.000 0.244 37 G HA3 -0.197 3.721 3.960 -0.070 0.000 0.244 37 G C 0.481 175.343 174.900 -0.063 0.000 0.982 37 G CA 0.101 45.076 45.100 -0.208 0.000 0.641 37 G HN 1.072 nan 8.290 nan 0.000 0.527 38 A N 0.237 123.124 122.820 0.110 0.000 2.366 38 A HA 0.858 5.136 4.320 -0.070 0.000 0.249 38 A C 1.044 178.671 177.584 0.071 0.000 1.084 38 A CA 1.041 53.158 52.037 0.133 0.000 0.794 38 A CB 0.422 19.502 19.000 0.133 0.000 1.034 38 A HN 2.078 nan 8.150 nan 0.000 0.491 39 A N 0.901 123.771 122.820 0.083 0.000 2.313 39 A HA 0.490 4.768 4.320 -0.070 0.000 0.261 39 A C 0.761 178.370 177.584 0.042 0.000 1.090 39 A CA 0.011 52.086 52.037 0.064 0.000 0.807 39 A CB -0.185 18.866 19.000 0.085 0.000 1.055 39 A HN 1.234 nan 8.150 nan 0.000 0.492 40 N N -0.468 118.246 118.700 0.025 0.000 2.754 40 N HA -0.121 4.577 4.740 -0.070 0.000 0.248 40 N C -0.381 175.119 175.510 -0.016 0.000 1.093 40 N CA 1.145 54.191 53.050 -0.006 0.000 0.699 40 N CB -0.695 37.789 38.487 -0.005 0.000 1.016 40 N HN 0.678 nan 8.380 nan 0.000 0.552 41 R N -0.267 120.230 120.500 -0.005 0.000 2.912 41 R HA 0.737 5.035 4.340 -0.070 0.000 0.262 41 R C 0.095 176.394 176.300 -0.003 0.000 1.057 41 R CA -0.439 55.658 56.100 -0.003 0.000 0.981 41 R CB 0.925 31.236 30.300 0.019 0.000 1.201 41 R HN 0.119 nan 8.270 nan 0.000 0.484 42 A N 1.322 124.146 122.820 0.005 0.000 2.407 42 A HA 0.323 4.601 4.320 -0.070 0.000 0.248 42 A C 0.237 177.841 177.584 0.034 0.000 1.082 42 A CA -0.296 51.752 52.037 0.019 0.000 0.785 42 A CB 0.061 19.081 19.000 0.033 0.000 1.020 42 A HN 0.535 nan 8.150 nan 0.000 0.489 43 L N 1.360 122.605 121.223 0.036 0.000 2.426 43 L HA 0.353 4.651 4.340 -0.070 0.000 0.271 43 L C 1.105 178.005 176.870 0.050 0.000 1.169 43 L CA -0.177 54.681 54.840 0.031 0.000 0.836 43 L CB 0.643 42.729 42.059 0.045 0.000 1.112 43 L HN 0.838 nan 8.230 nan 0.000 0.465 44 A N 4.358 127.197 122.820 0.032 0.000 2.386 44 A HA 0.421 4.699 4.320 -0.070 0.000 0.248 44 A C -0.089 177.534 177.584 0.066 0.000 1.082 44 A CA -0.344 51.750 52.037 0.095 0.000 0.789 44 A CB 0.274 19.356 19.000 0.136 0.000 1.025 44 A HN 0.633 nan 8.150 nan 0.000 0.490 45 R N 1.206 121.821 120.500 0.192 0.000 2.288 45 R HA 0.138 4.436 4.340 -0.070 0.000 0.326 45 R C -0.333 176.194 176.300 0.380 0.000 0.959 45 R CA -0.402 55.830 56.100 0.219 0.000 0.834 45 R CB 0.805 31.245 30.300 0.234 0.000 1.157 45 R HN 0.956 nan 8.270 nan 0.000 0.470 46 W N 2.157 123.565 121.300 0.179 0.000 2.518 46 W HA 0.149 4.766 4.660 -0.072 0.000 0.273 46 W C 0.487 177.067 176.519 0.102 0.000 1.247 46 W CA 0.299 57.740 57.345 0.160 0.000 1.288 46 W CB 0.013 29.532 29.460 0.099 0.000 1.107 46 W HN 0.267 nan 8.180 nan 0.000 0.586 47 L N -0.505 120.884 121.223 0.277 0.000 2.393 47 L HA 0.372 4.670 4.340 -0.070 0.000 0.260 47 L C -2.174 174.745 176.870 0.082 0.000 1.002 47 L CA -2.155 52.718 54.840 0.054 0.000 0.818 47 L CB 1.946 43.824 42.059 -0.303 0.000 1.369 47 L HN -0.522 nan 8.230 nan 0.000 0.412 48 P HA 0.094 nan 4.420 nan 0.000 0.266 48 P C -0.732 176.594 177.300 0.044 0.000 1.195 48 P CA -0.169 62.975 63.100 0.074 0.000 0.768 48 P CB 0.618 32.354 31.700 0.060 0.000 0.838 49 A N 2.797 125.653 122.820 0.060 0.000 2.445 49 A HA 0.131 4.409 4.320 -0.070 0.000 0.242 49 A C 0.085 177.615 177.584 -0.090 0.000 1.075 49 A CA 0.021 52.032 52.037 -0.043 0.000 0.777 49 A CB -0.091 18.893 19.000 -0.026 0.000 1.013 49 A HN 0.566 nan 8.150 nan 0.000 0.493 50 E N 0.870 120.949 120.200 -0.201 0.000 2.207 50 E HA 0.395 4.703 4.350 -0.070 0.000 0.250 50 E C -1.689 174.796 176.600 -0.190 0.000 0.890 50 E CA 0.085 56.460 56.400 -0.042 0.000 0.749 50 E CB 1.070 30.847 29.700 0.129 0.000 1.193 50 E HN 0.674 nan 8.360 nan 0.000 0.423 51 Y N 0.583 120.832 120.300 -0.086 0.000 2.528 51 Y HA 0.128 4.636 4.550 -0.070 0.000 0.335 51 Y C 1.655 177.118 175.900 -0.729 0.000 1.093 51 Y CA -0.644 57.242 58.100 -0.356 0.000 1.134 51 Y CB 1.464 39.767 38.460 -0.262 0.000 1.253 51 Y HN 0.483 nan 8.280 nan 0.000 0.478 52 E N 0.689 120.392 120.200 -0.828 0.000 2.118 52 E HA -0.228 4.081 4.350 -0.070 0.000 0.195 52 E C 0.392 176.789 176.600 -0.339 0.000 0.992 52 E CA 1.753 57.625 56.400 -0.880 0.000 0.804 52 E CB 0.059 29.439 29.700 -0.533 0.000 0.741 52 E HN 0.810 nan 8.360 nan 0.000 0.458 53 D N -1.940 118.313 120.400 -0.245 0.000 2.463 53 D HA 0.119 4.717 4.640 -0.070 0.000 0.224 53 D C 1.111 177.347 176.300 -0.107 0.000 1.174 53 D CA 0.521 54.427 54.000 -0.156 0.000 0.829 53 D CB 0.367 41.055 40.800 -0.188 0.000 0.993 53 D HN 0.300 nan 8.370 nan 0.000 0.497 54 G N 0.490 109.253 108.800 -0.061 0.000 2.302 54 G HA2 -0.374 3.544 3.960 -0.070 0.000 0.263 54 G HA3 -0.374 3.544 3.960 -0.070 0.000 0.263 54 G C 0.845 175.769 174.900 0.040 0.000 0.995 54 G CA 0.917 46.026 45.100 0.015 0.000 0.622 54 G HN 0.457 nan 8.290 nan 0.000 0.538 55 L N -2.160 119.009 121.223 -0.090 0.000 2.663 55 L HA 0.697 4.996 4.340 -0.070 0.000 0.218 55 L C 2.358 178.842 176.870 -0.643 0.000 1.043 55 L CA 1.176 55.895 54.840 -0.201 0.000 0.876 55 L CB 0.124 42.054 42.059 -0.214 0.000 1.263 55 L HN 0.449 nan 8.230 nan 0.000 0.486 56 A N -1.560 120.771 122.820 -0.815 0.000 2.377 56 A HA 0.326 4.604 4.320 -0.070 0.000 0.174 56 A C 0.007 176.971 177.584 -1.034 0.000 1.663 56 A CA -0.171 51.111 52.037 -1.258 0.000 1.219 56 A CB 0.424 18.932 19.000 -0.821 0.000 1.499 56 A HN 0.008 nan 8.150 nan 0.000 0.481 57 L N 2.861 123.663 121.223 -0.702 0.000 2.360 57 L HA 0.324 4.622 4.340 -0.070 0.000 0.276 57 L C -2.154 174.500 176.870 -0.360 0.000 1.121 57 L CA -1.841 52.580 54.840 -0.699 0.000 0.845 57 L CB 0.144 41.770 42.059 -0.722 0.000 1.143 57 L HN 0.195 nan 8.230 nan 0.000 0.452 58 P HA 0.085 nan 4.420 nan 0.000 0.274 58 P C -0.439 176.842 177.300 -0.032 0.000 1.237 58 P CA -0.454 62.608 63.100 -0.064 0.000 0.793 58 P CB 0.568 32.207 31.700 -0.101 0.000 0.977 59 F N 0.430 120.468 119.950 0.147 0.000 2.538 59 F HA 0.317 4.802 4.527 -0.070 0.000 0.371 59 F C 1.915 177.858 175.800 0.238 0.000 1.087 59 F CA 1.976 60.075 58.000 0.166 0.000 1.250 59 F CB 0.021 39.105 39.000 0.140 0.000 1.110 59 F HN 0.702 nan 8.300 nan 0.000 0.570 60 G N 2.983 112.045 108.800 0.437 0.000 2.195 60 G HA2 -0.284 3.634 3.960 -0.070 0.000 0.224 60 G HA3 -0.284 3.634 3.960 -0.070 0.000 0.224 60 G C 0.966 176.090 174.900 0.373 0.000 0.990 60 G CA 0.119 45.438 45.100 0.364 0.000 0.639 60 G HN 0.773 nan 8.290 nan 0.000 0.514 61 W N 1.766 123.137 121.300 0.118 0.000 2.379 61 W HA 0.107 4.725 4.660 -0.070 0.000 0.307 61 W C 0.063 176.607 176.519 0.042 0.000 1.200 61 W CA 1.880 59.239 57.345 0.023 0.000 1.297 61 W CB -0.162 29.182 29.460 -0.193 0.000 1.140 61 W HN 0.194 nan 8.180 nan 0.000 0.507 62 T N 2.545 117.276 114.554 0.295 0.000 2.832 62 T HA 0.128 4.436 4.350 -0.070 0.000 0.313 62 T C 0.629 175.402 174.700 0.122 0.000 1.035 62 T CA -0.273 61.928 62.100 0.169 0.000 0.950 62 T CB 1.380 70.368 68.868 0.200 0.000 0.984 62 T HN -0.068 nan 8.240 nan 0.000 0.486 63 Q N 1.989 121.827 119.800 0.063 0.000 2.268 63 Q HA -0.206 4.092 4.340 -0.070 0.000 0.210 63 Q C 2.354 178.395 176.000 0.068 0.000 0.988 63 Q CA 1.454 57.293 55.803 0.061 0.000 0.883 63 Q CB -0.230 28.521 28.738 0.022 0.000 0.911 63 Q HN 0.714 nan 8.270 nan 0.000 0.430 64 R N -0.683 119.855 120.500 0.064 0.000 2.240 64 R HA 0.093 4.391 4.340 -0.070 0.000 0.203 64 R C 0.081 176.426 176.300 0.076 0.000 1.011 64 R CA 0.330 56.465 56.100 0.058 0.000 1.007 64 R CB 0.195 30.522 30.300 0.044 0.000 0.911 64 R HN -0.158 nan 8.270 nan 0.000 0.468 65 K N 2.358 122.822 120.400 0.107 0.000 2.174 65 K HA 0.143 4.421 4.320 -0.070 0.000 0.275 65 K C 0.023 176.726 176.600 0.172 0.000 1.015 65 K CA -0.004 56.364 56.287 0.134 0.000 0.933 65 K CB 1.798 34.391 32.500 0.154 0.000 1.025 65 K HN 0.264 nan 8.250 nan 0.000 0.463 66 T N -0.902 113.749 114.554 0.161 0.000 2.938 66 T HA 0.518 4.826 4.350 -0.070 0.000 0.285 66 T C -0.200 174.603 174.700 0.173 0.000 1.028 66 T CA -0.987 61.200 62.100 0.144 0.000 1.005 66 T CB 1.785 70.681 68.868 0.047 0.000 1.157 66 T HN 0.512 nan 8.240 nan 0.000 0.550 67 R N 0.831 121.351 120.500 0.032 0.000 2.388 67 R HA 0.321 4.619 4.340 -0.070 0.000 0.314 67 R C -0.394 175.864 176.300 -0.070 0.000 0.959 67 R CA -0.398 55.566 56.100 -0.227 0.000 0.851 67 R CB -0.026 29.904 30.300 -0.617 0.000 1.168 67 R HN 0.823 nan 8.270 nan 0.000 0.472 68 N N 3.108 121.780 118.700 -0.047 0.000 2.725 68 N HA -0.212 4.486 4.740 -0.070 0.000 0.249 68 N C 0.499 175.953 175.510 -0.093 0.000 1.103 68 N CA 1.617 54.661 53.050 -0.010 0.000 0.707 68 N CB -0.912 37.605 38.487 0.050 0.000 1.043 68 N HN 1.084 nan 8.380 nan 0.000 0.553 69 G N -2.106 106.589 108.800 -0.174 0.000 2.194 69 G HA2 -0.277 3.641 3.960 -0.070 0.000 0.236 69 G HA3 -0.277 3.641 3.960 -0.070 0.000 0.236 69 G C -0.102 174.401 174.900 -0.662 0.000 0.987 69 G CA 0.316 45.145 45.100 -0.453 0.000 0.635 69 G HN 0.369 nan 8.290 nan 0.000 0.520 70 F N 0.024 119.982 119.950 0.013 0.000 2.593 70 F HA 0.758 5.243 4.527 -0.070 0.000 0.320 70 F C 0.731 176.543 175.800 0.021 0.000 1.060 70 F CA -1.237 56.774 58.000 0.018 0.000 0.940 70 F CB 1.258 40.270 39.000 0.019 0.000 1.268 70 F HN -0.077 nan 8.300 nan 0.000 0.475 71 R N 0.864 121.504 120.500 0.233 0.000 2.543 71 R HA 0.473 4.771 4.340 -0.070 0.000 0.277 71 R C -0.875 175.493 176.300 0.113 0.000 1.074 71 R CA -0.563 55.623 56.100 0.143 0.000 1.076 71 R CB 0.901 31.262 30.300 0.101 0.000 0.993 71 R HN 0.532 nan 8.270 nan 0.000 0.459 72 V N 1.770 121.742 119.914 0.097 0.000 2.498 72 V HA 0.393 4.471 4.120 -0.070 0.000 0.279 72 V C -1.745 174.329 176.094 -0.034 0.000 1.048 72 V CA -2.023 60.305 62.300 0.047 0.000 0.967 72 V CB 0.736 32.628 31.823 0.114 0.000 0.988 72 V HN 0.712 nan 8.190 nan 0.000 0.473 73 P HA 0.217 nan 4.420 nan 0.000 0.269 73 P C -0.130 177.087 177.300 -0.138 0.000 1.215 73 P CA -0.424 62.549 63.100 -0.213 0.000 0.780 73 P CB 0.856 32.298 31.700 -0.430 0.000 0.898 74 L N 1.578 122.744 121.223 -0.095 0.000 2.490 74 L HA 0.001 4.299 4.340 -0.070 0.000 0.274 74 L C 2.032 178.858 176.870 -0.073 0.000 1.201 74 L CA -0.195 54.601 54.840 -0.074 0.000 0.869 74 L CB 0.217 42.243 42.059 -0.056 0.000 1.123 74 L HN 0.501 nan 8.230 nan 0.000 0.484 75 A N 3.442 126.215 122.820 -0.078 0.000 1.883 75 A HA -0.225 4.053 4.320 -0.070 0.000 0.217 75 A C 2.260 179.843 177.584 -0.003 0.000 1.186 75 A CA 1.823 53.833 52.037 -0.044 0.000 0.624 75 A CB -0.381 18.554 19.000 -0.108 0.000 0.822 75 A HN 0.856 nan 8.150 nan 0.000 0.444 76 R N 0.154 120.649 120.500 -0.009 0.000 2.148 76 R HA -0.072 4.226 4.340 -0.070 0.000 0.227 76 R C 1.924 178.249 176.300 0.042 0.000 1.103 76 R CA 1.864 57.992 56.100 0.046 0.000 0.983 76 R CB -0.466 29.897 30.300 0.106 0.000 0.874 76 R HN 0.710 nan 8.270 nan 0.000 0.451 77 E N -0.711 119.496 120.200 0.013 0.000 2.072 77 E HA -0.101 4.207 4.350 -0.070 0.000 0.190 77 E C 1.685 178.291 176.600 0.009 0.000 0.982 77 E CA 1.239 57.640 56.400 0.002 0.000 0.803 77 E CB 0.140 29.825 29.700 -0.026 0.000 0.755 77 E HN 0.189 nan 8.360 nan 0.000 0.453 78 V N 0.741 120.658 119.914 0.004 0.000 2.392 78 V HA -0.268 3.810 4.120 -0.070 0.000 0.249 78 V C 2.453 178.609 176.094 0.103 0.000 1.059 78 V CA 1.918 64.246 62.300 0.047 0.000 1.051 78 V CB -0.538 31.335 31.823 0.083 0.000 0.658 78 V HN 0.283 nan 8.190 nan 0.000 0.455 79 S N 0.471 116.238 115.700 0.111 0.000 2.353 79 S HA -0.231 4.197 4.470 -0.070 0.000 0.222 79 S C 1.920 176.581 174.600 0.102 0.000 1.035 79 S CA 2.049 60.332 58.200 0.137 0.000 1.025 79 S CB -0.421 62.851 63.200 0.120 0.000 0.902 79 S HN 0.675 nan 8.310 nan 0.000 0.440 80 N N 1.240 119.978 118.700 0.064 0.000 2.120 80 N HA 0.000 4.698 4.740 -0.070 0.000 0.188 80 N C 1.620 177.157 175.510 0.046 0.000 1.024 80 N CA 1.027 54.102 53.050 0.042 0.000 0.852 80 N CB -0.256 38.240 38.487 0.015 0.000 1.003 80 N HN 0.494 nan 8.380 nan 0.000 0.424 81 K N -0.171 120.256 120.400 0.045 0.000 2.365 81 K HA 0.197 4.475 4.320 -0.070 0.000 0.197 81 K C 1.320 177.952 176.600 0.054 0.000 1.042 81 K CA 0.452 56.762 56.287 0.038 0.000 0.987 81 K CB 0.698 33.211 32.500 0.022 0.000 0.779 81 K HN 0.225 nan 8.250 nan 0.000 0.484 82 I N -1.259 119.356 120.570 0.075 0.000 4.193 82 I HA -0.097 4.031 4.170 -0.070 0.000 0.287 82 I C 1.567 177.746 176.117 0.103 0.000 1.175 82 I CA 0.265 61.613 61.300 0.079 0.000 1.320 82 I CB 0.760 38.811 38.000 0.085 0.000 1.523 82 I HN -0.247 nan 8.210 nan 0.000 0.450 83 V N 1.072 121.069 119.914 0.137 0.000 2.992 83 V HA 0.181 4.259 4.120 -0.070 0.000 0.250 83 V C 1.284 177.515 176.094 0.228 0.000 1.090 83 V CA 0.808 63.218 62.300 0.183 0.000 1.101 83 V CB -0.283 31.687 31.823 0.245 0.000 0.743 83 V HN 0.371 nan 8.190 nan 0.000 0.468 84 G N -0.461 108.447 108.800 0.181 0.000 2.537 84 G HA2 0.513 4.431 3.960 -0.070 0.000 0.273 84 G HA3 0.513 4.431 3.960 -0.070 0.000 0.273 84 G C -0.957 174.094 174.900 0.251 0.000 1.189 84 G CA -0.024 45.171 45.100 0.159 0.000 0.881 84 G HN 0.478 nan 8.290 nan 0.000 0.535 85 Y N -2.268 118.064 120.300 0.053 0.000 2.741 85 Y HA 0.531 5.039 4.550 -0.070 0.000 0.339 85 Y C -0.358 175.568 175.900 0.042 0.000 1.226 85 Y CA -1.204 56.922 58.100 0.044 0.000 1.072 85 Y CB 0.869 39.357 38.460 0.047 0.000 1.331 85 Y HN 0.277 nan 8.280 nan 0.000 0.453 86 L N -0.047 121.240 121.223 0.107 0.000 2.577 86 L HA 0.269 4.567 4.340 -0.070 0.000 0.225 86 L C -0.208 176.720 176.870 0.098 0.000 1.053 86 L CA 0.245 55.091 54.840 0.009 0.000 0.866 86 L CB 0.425 42.502 42.059 0.030 0.000 1.132 86 L HN 0.632 nan 8.230 nan 0.000 0.486 87 D N 0.963 121.514 120.400 0.251 0.000 2.411 87 D HA 0.058 4.656 4.640 -0.070 0.000 0.225 87 D C 0.894 177.374 176.300 0.301 0.000 1.156 87 D CA 0.000 54.129 54.000 0.214 0.000 0.874 87 D CB 0.940 41.826 40.800 0.143 0.000 1.034 87 D HN -0.027 nan 8.370 nan 0.000 0.502 88 E N 2.194 122.543 120.200 0.249 0.000 2.516 88 E HA -0.091 4.218 4.350 -0.070 0.000 0.199 88 E C 0.241 176.933 176.600 0.154 0.000 1.069 88 E CA 0.249 56.804 56.400 0.258 0.000 0.876 88 E CB 0.072 29.882 29.700 0.183 0.000 0.843 88 E HN 0.635 nan 8.360 nan 0.000 0.530 89 E N 0.125 120.395 120.200 0.116 0.000 2.344 89 E HA 0.190 4.498 4.350 -0.070 0.000 0.270 89 E C 0.610 177.244 176.600 0.057 0.000 1.021 89 E CA 0.503 56.950 56.400 0.077 0.000 0.887 89 E CB 0.352 30.090 29.700 0.064 0.000 0.997 89 E HN 0.220 nan 8.360 nan 0.000 0.429 90 G N 2.980 111.808 108.800 0.047 0.000 2.162 90 G HA2 -0.278 3.640 3.960 -0.070 0.000 0.260 90 G HA3 -0.278 3.640 3.960 -0.070 0.000 0.260 90 G C 0.654 175.566 174.900 0.019 0.000 0.976 90 G CA 0.297 45.415 45.100 0.030 0.000 0.655 90 G HN 0.524 nan 8.290 nan 0.000 0.533 91 V N 0.669 120.603 119.914 0.032 0.000 3.608 91 V HA 0.362 4.440 4.120 -0.070 0.000 0.269 91 V C 1.528 177.651 176.094 0.049 0.000 1.245 91 V CA 0.607 62.917 62.300 0.018 0.000 1.138 91 V CB -0.091 31.748 31.823 0.027 0.000 0.841 91 V HN 0.415 nan 8.190 nan 0.000 0.451 92 L N 0.775 122.036 121.223 0.063 0.000 2.397 92 L HA 0.291 4.589 4.340 -0.070 0.000 0.271 92 L C 0.291 177.200 176.870 0.065 0.000 1.148 92 L CA -0.149 54.737 54.840 0.077 0.000 0.825 92 L CB 0.280 42.387 42.059 0.080 0.000 1.117 92 L HN 0.071 nan 8.230 nan 0.000 0.456 93 D N 2.325 122.773 120.400 0.080 0.000 2.338 93 D HA -0.016 4.582 4.640 -0.070 0.000 0.255 93 D C 0.749 177.075 176.300 0.044 0.000 1.237 93 D CA -0.096 53.940 54.000 0.060 0.000 0.883 93 D CB 1.234 42.083 40.800 0.081 0.000 1.087 93 D HN 0.419 nan 8.370 nan 0.000 0.485 94 Q N 2.539 122.355 119.800 0.026 0.000 2.437 94 Q HA -0.115 4.183 4.340 -0.070 0.000 0.210 94 Q C 0.518 176.526 176.000 0.014 0.000 0.972 94 Q CA 0.765 56.583 55.803 0.024 0.000 0.903 94 Q CB 0.049 28.797 28.738 0.017 0.000 0.967 94 Q HN 0.396 nan 8.270 nan 0.000 0.486 95 N N 0.252 118.944 118.700 -0.013 0.000 2.466 95 N HA 0.070 4.769 4.740 -0.070 0.000 0.272 95 N C -1.274 174.188 175.510 -0.079 0.000 1.455 95 N CA -0.052 52.977 53.050 -0.035 0.000 0.875 95 N CB 0.545 39.000 38.487 -0.053 0.000 1.372 95 N HN -0.156 nan 8.380 nan 0.000 0.492 96 R N 0.304 120.777 120.500 -0.045 0.000 2.510 96 R HA 0.313 4.611 4.340 -0.070 0.000 0.287 96 R C -0.445 175.919 176.300 0.107 0.000 1.084 96 R CA -0.483 55.583 56.100 -0.056 0.000 0.934 96 R CB 1.131 31.295 30.300 -0.227 0.000 1.201 96 R HN 0.294 nan 8.270 nan 0.000 0.431 97 S N 1.833 117.628 115.700 0.159 0.000 2.624 97 S HA 0.219 4.647 4.470 -0.070 0.000 0.263 97 S C 1.446 176.180 174.600 0.223 0.000 1.287 97 S CA -0.777 57.521 58.200 0.164 0.000 0.990 97 S CB 0.836 64.102 63.200 0.110 0.000 0.950 97 S HN 0.657 nan 8.310 nan 0.000 0.561 98 L N 0.243 121.566 121.223 0.168 0.000 2.187 98 L HA -0.073 4.225 4.340 -0.070 0.000 0.213 98 L C 2.254 179.218 176.870 0.156 0.000 1.100 98 L CA 1.092 56.029 54.840 0.161 0.000 0.765 98 L CB -0.551 41.576 42.059 0.114 0.000 0.904 98 L HN 0.811 nan 8.230 nan 0.000 0.437 99 L N -0.803 120.486 121.223 0.110 0.000 2.191 99 L HA -0.249 4.049 4.340 -0.070 0.000 0.212 99 L C 2.186 179.205 176.870 0.249 0.000 1.103 99 L CA 1.573 56.423 54.840 0.016 0.000 0.769 99 L CB -0.675 41.220 42.059 -0.273 0.000 0.908 99 L HN 0.191 nan 8.230 nan 0.000 0.438 100 F N -0.410 119.719 119.950 0.297 0.000 2.095 100 F HA -0.276 4.207 4.527 -0.073 0.000 0.298 100 F C 2.397 178.446 175.800 0.416 0.000 1.104 100 F CA 2.232 60.547 58.000 0.525 0.000 1.232 100 F CB -0.403 38.829 39.000 0.387 0.000 0.987 100 F HN 0.220 nan 8.300 nan 0.000 0.475 101 M N 0.265 119.959 119.600 0.157 0.000 2.077 101 M HA -0.212 4.227 4.480 -0.070 0.000 0.261 101 M C 2.220 178.477 176.300 -0.070 0.000 1.070 101 M CA 1.922 57.210 55.300 -0.020 0.000 1.125 101 M CB -1.008 31.643 32.600 0.085 0.000 1.339 101 M HN 0.324 nan 8.290 nan 0.000 0.409 102 Q N -0.062 119.740 119.800 0.004 0.000 2.135 102 Q HA -0.216 4.082 4.340 -0.070 0.000 0.204 102 Q C 1.862 177.808 176.000 -0.090 0.000 0.981 102 Q CA 2.158 57.933 55.803 -0.047 0.000 0.856 102 Q CB -0.863 27.875 28.738 0.001 0.000 0.902 102 Q HN 0.718 nan 8.270 nan 0.000 0.425 103 W N -0.176 120.998 121.300 -0.211 0.000 2.388 103 W HA -0.069 4.549 4.660 -0.071 0.000 0.294 103 W C 1.622 177.835 176.519 -0.510 0.000 1.212 103 W CA 1.329 58.494 57.345 -0.300 0.000 1.271 103 W CB -0.346 29.027 29.460 -0.145 0.000 1.126 103 W HN 0.323 nan 8.180 nan 0.000 0.535 104 G N 0.443 108.948 108.800 -0.492 0.000 2.446 104 G HA2 -0.387 3.531 3.960 -0.070 0.000 0.217 104 G HA3 -0.387 3.531 3.960 -0.070 0.000 0.217 104 G C 1.387 175.871 174.900 -0.693 0.000 1.168 104 G CA 1.223 45.996 45.100 -0.545 0.000 0.771 104 G HN 0.403 nan 8.290 nan 0.000 0.551 105 Q N -0.539 118.893 119.800 -0.614 0.000 2.124 105 Q HA -0.110 4.188 4.340 -0.070 0.000 0.202 105 Q C 2.484 177.981 176.000 -0.839 0.000 0.977 105 Q CA 1.062 56.430 55.803 -0.725 0.000 0.850 105 Q CB -0.153 28.249 28.738 -0.560 0.000 0.901 105 Q HN 0.433 nan 8.270 nan 0.000 0.429 106 I N -0.427 119.716 120.570 -0.712 0.000 2.179 106 I HA -0.250 3.878 4.170 -0.070 0.000 0.242 106 I C 2.185 177.960 176.117 -0.570 0.000 1.088 106 I CA 0.887 61.770 61.300 -0.695 0.000 1.357 106 I CB -0.652 36.826 38.000 -0.869 0.000 1.051 106 I HN 0.059 nan 8.210 nan 0.000 0.409 107 V N 0.583 120.130 119.914 -0.612 0.000 2.343 107 V HA -0.290 3.788 4.120 -0.070 0.000 0.247 107 V C 2.332 178.489 176.094 0.105 0.000 1.051 107 V CA 2.087 64.281 62.300 -0.178 0.000 1.036 107 V CB -0.741 31.095 31.823 0.021 0.000 0.654 107 V HN 0.498 nan 8.190 nan 0.000 0.451 108 D N -0.453 119.853 120.400 -0.156 0.000 2.144 108 D HA -0.216 4.382 4.640 -0.070 0.000 0.199 108 D C 1.954 178.313 176.300 0.098 0.000 0.984 108 D CA 1.643 55.561 54.000 -0.137 0.000 0.834 108 D CB -0.140 40.182 40.800 -0.796 0.000 0.955 108 D HN 0.682 nan 8.370 nan 0.000 0.465 109 H N -0.726 118.261 119.070 -0.137 0.000 2.502 109 H HA -0.042 4.472 4.556 -0.070 0.000 0.283 109 H C 1.658 176.965 175.328 -0.035 0.000 1.015 109 H CA 0.485 56.468 56.048 -0.107 0.000 1.298 109 H CB 0.479 30.150 29.762 -0.152 0.000 1.411 109 H HN 0.152 nan 8.280 nan 0.000 0.556 110 D N 0.896 121.365 120.400 0.115 0.000 2.149 110 D HA -0.086 4.512 4.640 -0.070 0.000 0.201 110 D C 1.967 178.360 176.300 0.155 0.000 0.972 110 D CA 0.656 54.725 54.000 0.114 0.000 0.835 110 D CB 0.366 41.225 40.800 0.098 0.000 0.966 110 D HN 0.362 nan 8.370 nan 0.000 0.476 111 L N 0.084 121.421 121.223 0.191 0.000 2.202 111 L HA 0.113 4.411 4.340 -0.070 0.000 0.205 111 L C 0.461 177.422 176.870 0.152 0.000 1.083 111 L CA 0.499 55.443 54.840 0.173 0.000 0.790 111 L CB 0.015 42.207 42.059 0.221 0.000 0.942 111 L HN 0.003 nan 8.230 nan 0.000 0.452 112 D N -1.445 119.070 120.400 0.192 0.000 2.859 112 D HA 0.363 4.961 4.640 -0.070 0.000 0.223 112 D C -1.467 174.977 176.300 0.241 0.000 1.218 112 D CA -0.370 53.740 54.000 0.183 0.000 0.850 112 D CB 3.075 43.983 40.800 0.181 0.000 1.656 112 D HN -0.220 nan 8.370 nan 0.000 0.484 113 F N 0.963 120.922 119.950 0.015 0.000 2.839 113 F HA 0.525 5.011 4.527 -0.069 0.000 0.344 113 F C -1.765 174.043 175.800 0.013 0.000 1.242 113 F CA -1.040 56.956 58.000 -0.007 0.000 1.091 113 F CB 1.656 40.648 39.000 -0.013 0.000 1.374 113 F HN 0.595 nan 8.300 nan 0.000 0.553 114 A N 8.327 131.109 122.820 -0.063 0.000 2.511 114 A HA 0.668 4.947 4.320 -0.070 0.000 0.340 114 A C -2.666 174.674 177.584 -0.406 0.000 1.396 114 A CA -1.393 50.532 52.037 -0.187 0.000 0.887 114 A CB -0.262 18.796 19.000 0.096 0.000 1.145 114 A HN 0.404 nan 8.150 nan 0.000 0.497 115 P HA 0.162 nan 4.420 nan 0.000 0.272 115 P C -0.196 176.937 177.300 -0.277 0.000 1.223 115 P CA -0.013 62.681 63.100 -0.677 0.000 0.784 115 P CB 0.926 32.157 31.700 -0.782 0.000 0.923 116 E N 0.208 120.302 120.200 -0.176 0.000 2.409 116 E HA 0.131 4.439 4.350 -0.070 0.000 0.257 116 E C 0.219 176.750 176.600 -0.116 0.000 1.150 116 E CA -0.129 56.210 56.400 -0.102 0.000 0.942 116 E CB 0.192 29.838 29.700 -0.089 0.000 0.979 116 E HN 0.474 nan 8.360 nan 0.000 0.447 117 T N -0.580 113.945 114.554 -0.048 0.000 2.851 117 T HA 0.072 4.381 4.350 -0.070 0.000 0.298 117 T C 0.615 175.231 174.700 -0.140 0.000 0.977 117 T CA -0.575 61.489 62.100 -0.061 0.000 1.126 117 T CB 1.639 70.539 68.868 0.053 0.000 0.916 117 T HN 0.428 nan 8.240 nan 0.000 0.529 118 E N 1.058 121.162 120.200 -0.159 0.000 2.041 118 E HA 0.110 4.418 4.350 -0.070 0.000 0.202 118 E C 0.151 176.656 176.600 -0.159 0.000 0.945 118 E CA -0.017 56.267 56.400 -0.194 0.000 0.878 118 E CB -0.038 29.554 29.700 -0.181 0.000 0.886 118 E HN 0.605 nan 8.360 nan 0.000 0.487 119 L N 0.124 121.274 121.223 -0.120 0.000 3.823 119 L HA -0.235 4.063 4.340 -0.070 0.000 0.525 119 L C -0.030 176.795 176.870 -0.076 0.000 1.247 119 L CA 1.281 56.072 54.840 -0.082 0.000 0.776 119 L CB -1.885 40.148 42.059 -0.043 0.000 1.443 119 L HN 0.509 nan 8.230 nan 0.000 0.831 120 G N -0.416 108.328 108.800 -0.093 0.000 2.781 120 G HA2 0.380 4.298 3.960 -0.070 0.000 0.468 120 G HA3 0.380 4.298 3.960 -0.070 0.000 0.468 120 G C -0.364 174.474 174.900 -0.103 0.000 1.186 120 G CA -0.421 44.632 45.100 -0.078 0.000 1.220 120 G HN 0.962 nan 8.290 nan 0.000 0.564 121 S N 1.443 117.085 115.700 -0.096 0.000 2.640 121 S HA 0.774 5.202 4.470 -0.070 0.000 0.320 121 S C 0.300 174.852 174.600 -0.080 0.000 1.097 121 S CA -0.260 57.875 58.200 -0.108 0.000 1.092 121 S CB 1.536 64.665 63.200 -0.118 0.000 0.988 121 S HN 1.375 nan 8.310 nan 0.000 0.470 122 N N 0.361 119.012 118.700 -0.082 0.000 3.416 122 N HA -0.133 4.565 4.740 -0.070 0.000 0.249 122 N C -1.267 174.218 175.510 -0.042 0.000 1.141 122 N CA 0.248 53.257 53.050 -0.069 0.000 0.723 122 N CB -0.419 38.041 38.487 -0.045 0.000 1.163 122 N HN 0.814 nan 8.380 nan 0.000 0.566 123 E N -0.519 119.648 120.200 -0.055 0.000 2.248 123 E HA 0.371 4.679 4.350 -0.070 0.000 0.267 123 E C 0.017 176.619 176.600 0.004 0.000 0.877 123 E CA -0.456 55.956 56.400 0.020 0.000 0.759 123 E CB 0.748 30.453 29.700 0.008 0.000 1.182 123 E HN 0.226 nan 8.360 nan 0.000 0.418 124 H N 1.539 120.622 119.070 0.022 0.000 2.556 124 H HA 0.059 4.573 4.556 -0.070 0.000 0.268 124 H C 1.672 177.048 175.328 0.080 0.000 0.996 124 H CA 1.061 57.139 56.048 0.050 0.000 1.157 124 H CB 0.341 30.127 29.762 0.040 0.000 1.355 124 H HN 0.434 nan 8.280 nan 0.000 0.597 125 S N 0.924 116.727 115.700 0.172 0.000 2.368 125 S HA -0.165 4.263 4.470 -0.070 0.000 0.224 125 S C 1.779 176.512 174.600 0.222 0.000 1.029 125 S CA 1.135 59.441 58.200 0.176 0.000 0.988 125 S CB 0.119 63.395 63.200 0.127 0.000 0.838 125 S HN 0.425 nan 8.310 nan 0.000 0.462 126 K N 0.024 120.499 120.400 0.125 0.000 2.217 126 K HA 0.030 4.308 4.320 -0.070 0.000 0.202 126 K C 2.157 178.878 176.600 0.201 0.000 1.051 126 K CA 1.476 57.848 56.287 0.143 0.000 0.952 126 K CB -0.328 32.137 32.500 -0.057 0.000 0.736 126 K HN 0.312 nan 8.250 nan 0.000 0.453 127 T N 1.063 115.709 114.554 0.154 0.000 2.814 127 T HA -0.130 4.178 4.350 -0.070 0.000 0.254 127 T C 1.867 176.729 174.700 0.269 0.000 1.037 127 T CA 0.909 63.111 62.100 0.170 0.000 1.143 127 T CB -0.049 68.902 68.868 0.138 0.000 0.866 127 T HN 0.228 nan 8.240 nan 0.000 0.431 128 Q N -0.299 119.682 119.800 0.300 0.000 2.297 128 Q HA -0.117 4.181 4.340 -0.070 0.000 0.208 128 Q C 2.283 178.447 176.000 0.273 0.000 0.981 128 Q CA 1.186 57.190 55.803 0.334 0.000 0.876 128 Q CB -0.361 28.493 28.738 0.193 0.000 0.921 128 Q HN 0.532 nan 8.270 nan 0.000 0.446 129 c N -0.566 118.178 118.600 0.241 0.000 2.538 129 c HA 0.047 4.575 4.570 -0.070 0.000 0.281 129 c C 2.447 176.586 174.090 0.081 0.000 1.320 129 c CA 0.869 57.287 56.329 0.147 0.000 1.714 129 c CB -0.422 42.190 42.510 0.170 0.000 2.095 129 c HN 0.741 nan 8.230 nan 0.000 0.497 130 E N 0.270 120.561 120.200 0.152 0.000 2.112 130 E HA -0.157 4.151 4.350 -0.070 0.000 0.190 130 E C 1.900 178.491 176.600 -0.015 0.000 0.979 130 E CA 1.267 57.719 56.400 0.085 0.000 0.814 130 E CB -0.081 29.750 29.700 0.219 0.000 0.762 130 E HN 0.638 nan 8.360 nan 0.000 0.460 131 E N -0.964 119.214 120.200 -0.037 0.000 2.076 131 E HA -0.095 4.213 4.350 -0.070 0.000 0.190 131 E C 0.962 177.272 176.600 -0.484 0.000 0.979 131 E CA 1.151 57.371 56.400 -0.299 0.000 0.807 131 E CB 0.120 29.550 29.700 -0.449 0.000 0.761 131 E HN 0.393 nan 8.360 nan 0.000 0.454 132 Y N -2.350 117.955 120.300 0.008 0.000 2.444 132 Y HA 0.219 4.727 4.550 -0.070 0.000 0.249 132 Y C 0.497 176.373 175.900 -0.039 0.000 1.134 132 Y CA -0.324 57.770 58.100 -0.009 0.000 1.261 132 Y CB 0.458 38.921 38.460 0.005 0.000 1.143 132 Y HN -0.074 nan 8.280 nan 0.000 0.523 133 c N 1.728 120.358 118.600 0.050 0.000 4.454 133 c HA -0.222 4.306 4.570 -0.070 0.000 0.298 133 c C 0.343 174.417 174.090 -0.028 0.000 1.384 133 c CA -0.705 55.599 56.329 -0.042 0.000 2.002 133 c CB -3.007 39.440 42.510 -0.105 0.000 1.249 133 c HN 0.333 nan 8.230 nan 0.000 0.783 134 I N 1.252 121.836 120.570 0.024 0.000 2.291 134 I HA 0.185 4.313 4.170 -0.070 0.000 0.290 134 I C 0.734 176.828 176.117 -0.038 0.000 1.050 134 I CA 0.396 61.692 61.300 -0.006 0.000 1.245 134 I CB 0.594 38.609 38.000 0.024 0.000 1.405 134 I HN 0.420 nan 8.210 nan 0.000 0.478 135 Q N 5.078 124.805 119.800 -0.121 0.000 2.349 135 Q HA 0.391 4.689 4.340 -0.070 0.000 0.287 135 Q C -0.043 175.859 176.000 -0.164 0.000 1.044 135 Q CA 0.351 56.025 55.803 -0.216 0.000 0.918 135 Q CB 0.756 29.209 28.738 -0.475 0.000 1.242 135 Q HN 0.901 nan 8.270 nan 0.000 0.405 136 G N 2.924 111.715 108.800 -0.014 0.000 2.386 136 G HA2 0.146 4.064 3.960 -0.070 0.000 0.302 136 G HA3 0.146 4.064 3.960 -0.070 0.000 0.302 136 G C -1.252 173.867 174.900 0.366 0.000 1.629 136 G CA -0.283 44.932 45.100 0.192 0.000 0.917 136 G HN 0.795 nan 8.290 nan 0.000 0.676 137 D N 0.175 120.813 120.400 0.397 0.000 3.334 137 D HA -0.256 4.342 4.640 -0.070 0.000 0.173 137 D C 1.050 177.553 176.300 0.339 0.000 1.168 137 D CA 1.349 55.514 54.000 0.275 0.000 0.991 137 D CB -0.257 40.657 40.800 0.190 0.000 0.522 137 D HN 0.522 nan 8.370 nan 0.000 0.532 138 N N 0.134 119.004 118.700 0.284 0.000 2.626 138 N HA -0.026 4.672 4.740 -0.070 0.000 0.193 138 N C 0.446 176.228 175.510 0.453 0.000 1.213 138 N CA 0.290 53.545 53.050 0.342 0.000 0.914 138 N CB -0.400 38.267 38.487 0.299 0.000 0.994 138 N HN 0.298 nan 8.380 nan 0.000 0.447 139 c N 1.361 120.200 118.600 0.398 0.000 2.255 139 c HA 0.438 4.966 4.570 -0.070 0.000 0.326 139 c C -0.425 173.867 174.090 0.336 0.000 1.258 139 c CA -0.808 55.658 56.329 0.228 0.000 1.676 139 c CB -1.504 41.093 42.510 0.144 0.000 2.314 139 c HN 0.272 nan 8.230 nan 0.000 0.509 140 F N 9.402 129.448 119.950 0.160 0.000 2.660 140 F HA 0.491 4.976 4.527 -0.070 0.000 0.352 140 F C -2.533 173.278 175.800 0.018 0.000 1.257 140 F CA -3.160 54.942 58.000 0.169 0.000 1.200 140 F CB 0.504 39.767 39.000 0.439 0.000 1.473 140 F HN 0.435 nan 8.300 nan 0.000 0.561 141 P HA 0.120 nan 4.420 nan 0.000 0.267 141 P C -0.149 176.887 177.300 -0.441 0.000 1.200 141 P CA 0.284 63.221 63.100 -0.271 0.000 0.772 141 P CB 0.917 32.482 31.700 -0.224 0.000 0.855 142 I N 3.362 123.687 120.570 -0.409 0.000 2.291 142 I HA 0.154 4.282 4.170 -0.070 0.000 0.290 142 I C 0.561 176.423 176.117 -0.424 0.000 1.050 142 I CA -0.443 60.609 61.300 -0.414 0.000 1.245 142 I CB 0.254 38.070 38.000 -0.307 0.000 1.405 142 I HN 0.125 nan 8.210 nan 0.000 0.478 143 M N 6.130 125.526 119.600 -0.339 0.000 2.242 143 M HA 0.326 4.764 4.480 -0.070 0.000 0.344 143 M C -0.220 175.970 176.300 -0.182 0.000 1.140 143 M CA 0.060 55.174 55.300 -0.311 0.000 1.160 143 M CB 0.078 32.569 32.600 -0.182 0.000 1.491 143 M HN 0.253 nan 8.290 nan 0.000 0.459 144 F N 2.522 122.416 119.950 -0.093 0.000 2.384 144 F HA 0.312 4.797 4.527 -0.070 0.000 0.338 144 F C -1.415 174.346 175.800 -0.065 0.000 1.103 144 F CA -1.851 56.101 58.000 -0.080 0.000 1.157 144 F CB 0.519 39.473 39.000 -0.078 0.000 1.167 144 F HN 0.342 nan 8.300 nan 0.000 0.529 145 P HA 0.009 nan 4.420 nan 0.000 0.271 145 P C -1.115 176.209 177.300 0.040 0.000 1.244 145 P CA -0.464 62.668 63.100 0.054 0.000 0.793 145 P CB 0.483 32.198 31.700 0.024 0.000 0.984 146 K N 0.812 121.222 120.400 0.016 0.000 2.219 146 K HA 0.129 4.407 4.320 -0.070 0.000 0.258 146 K C 0.045 176.640 176.600 -0.008 0.000 1.008 146 K CA 0.005 56.295 56.287 0.006 0.000 0.928 146 K CB -0.217 32.284 32.500 0.003 0.000 0.983 146 K HN 0.480 nan 8.250 nan 0.000 0.484 147 N N -0.854 117.835 118.700 -0.019 0.000 2.909 147 N HA -0.206 4.492 4.740 -0.070 0.000 0.242 147 N C -1.219 174.257 175.510 -0.056 0.000 0.975 147 N CA 0.997 54.028 53.050 -0.031 0.000 0.921 147 N CB -0.851 37.623 38.487 -0.022 0.000 1.112 147 N HN 0.783 nan 8.380 nan 0.000 0.581 148 D N 1.023 121.376 120.400 -0.079 0.000 2.317 148 D HA 0.095 4.693 4.640 -0.070 0.000 0.252 148 D C -1.123 175.053 176.300 -0.207 0.000 1.174 148 D CA -1.905 52.004 54.000 -0.151 0.000 0.866 148 D CB 1.120 41.800 40.800 -0.202 0.000 1.127 148 D HN 0.075 nan 8.370 nan 0.000 0.467 149 P HA -0.132 nan 4.420 nan 0.000 0.221 149 P C 0.839 177.983 177.300 -0.260 0.000 1.145 149 P CA 0.815 63.808 63.100 -0.179 0.000 0.795 149 P CB 0.457 32.078 31.700 -0.133 0.000 0.775 150 K N -0.567 119.564 120.400 -0.448 0.000 2.365 150 K HA 0.017 4.295 4.320 -0.070 0.000 0.199 150 K C 2.181 178.447 176.600 -0.557 0.000 1.045 150 K CA 0.396 56.314 56.287 -0.615 0.000 0.962 150 K CB -0.409 31.451 32.500 -1.067 0.000 0.759 150 K HN 0.181 nan 8.250 nan 0.000 0.469 151 L N 0.930 121.888 121.223 -0.443 0.000 2.093 151 L HA -0.205 4.093 4.340 -0.070 0.000 0.208 151 L C 1.919 178.748 176.870 -0.067 0.000 1.085 151 L CA 1.461 56.223 54.840 -0.129 0.000 0.755 151 L CB -0.078 41.947 42.059 -0.055 0.000 0.904 151 L HN 0.131 nan 8.230 nan 0.000 0.435 152 K N -1.646 118.696 120.400 -0.097 0.000 2.228 152 K HA -0.056 4.222 4.320 -0.070 0.000 0.202 152 K C 1.749 178.316 176.600 -0.055 0.000 1.051 152 K CA 1.293 57.543 56.287 -0.061 0.000 0.960 152 K CB 0.045 32.508 32.500 -0.062 0.000 0.743 152 K HN 0.187 nan 8.250 nan 0.000 0.458 153 T N 0.023 114.527 114.554 -0.083 0.000 3.000 153 T HA 0.065 4.373 4.350 -0.070 0.000 0.248 153 T C 1.505 176.178 174.700 -0.044 0.000 1.034 153 T CA 0.443 62.505 62.100 -0.063 0.000 1.060 153 T CB 0.465 69.286 68.868 -0.078 0.000 0.983 153 T HN 0.124 nan 8.240 nan 0.000 0.482 154 Q N -0.688 119.084 119.800 -0.045 0.000 2.511 154 Q HA 0.448 4.746 4.340 -0.070 0.000 0.236 154 Q C 0.964 177.008 176.000 0.073 0.000 0.893 154 Q CA 0.363 56.173 55.803 0.012 0.000 0.947 154 Q CB 1.307 30.054 28.738 0.015 0.000 1.110 154 Q HN 0.482 nan 8.270 nan 0.000 0.591 155 G N -0.324 108.574 108.800 0.164 0.000 2.398 155 G HA2 -0.010 3.909 3.960 -0.070 0.000 0.251 155 G HA3 -0.010 3.909 3.960 -0.070 0.000 0.251 155 G C -0.893 174.149 174.900 0.237 0.000 1.277 155 G CA -0.554 44.622 45.100 0.127 0.000 0.927 155 G HN -0.108 nan 8.290 nan 0.000 0.477 156 K N -0.647 119.784 120.400 0.051 0.000 2.361 156 K HA 0.330 4.608 4.320 -0.070 0.000 0.194 156 K C 0.585 176.952 176.600 -0.389 0.000 1.032 156 K CA 1.039 57.327 56.287 0.001 0.000 1.048 156 K CB 0.488 32.962 32.500 -0.044 0.000 0.842 156 K HN 0.948 nan 8.250 nan 0.000 0.526 157 c N -2.139 116.039 118.600 -0.702 0.000 3.284 157 c HA 0.592 5.120 4.570 -0.070 0.000 0.348 157 c C -1.393 172.142 174.090 -0.926 0.000 1.448 157 c CA -1.270 54.390 56.329 -1.115 0.000 1.223 157 c CB 0.896 43.075 42.510 -0.551 0.000 1.588 157 c HN 0.057 nan 8.230 nan 0.000 0.451 158 M N 3.224 122.390 119.600 -0.722 0.000 2.181 158 M HA 0.481 4.919 4.480 -0.070 0.000 0.323 158 M C -2.375 173.806 176.300 -0.198 0.000 1.004 158 M CA -1.574 53.493 55.300 -0.388 0.000 0.941 158 M CB 2.364 34.832 32.600 -0.219 0.000 1.579 158 M HN 0.633 nan 8.290 nan 0.000 0.427 159 P HA 0.156 nan 4.420 nan 0.000 0.269 159 P C -1.360 175.875 177.300 -0.109 0.000 1.215 159 P CA 0.149 63.139 63.100 -0.184 0.000 0.780 159 P CB 0.664 32.278 31.700 -0.143 0.000 0.898 160 F N 2.235 121.871 119.950 -0.522 0.000 2.622 160 F HA 0.504 4.989 4.527 -0.070 0.000 0.318 160 F C -1.903 173.602 175.800 -0.491 0.000 1.135 160 F CA -0.822 56.971 58.000 -0.343 0.000 1.015 160 F CB 1.156 40.028 39.000 -0.215 0.000 1.275 160 F HN 0.077 nan 8.300 nan 0.000 0.457 161 F N 4.852 124.631 119.950 -0.286 0.000 2.482 161 F HA 0.602 5.087 4.527 -0.070 0.000 0.331 161 F C 0.312 176.019 175.800 -0.156 0.000 1.115 161 F CA -0.925 57.038 58.000 -0.062 0.000 0.955 161 F CB 1.648 40.614 39.000 -0.057 0.000 1.136 161 F HN 0.289 nan 8.300 nan 0.000 0.452 162 R N 1.463 122.170 120.500 0.345 0.000 2.698 162 R HA 0.418 4.716 4.340 -0.070 0.000 0.266 162 R C 0.061 176.481 176.300 0.200 0.000 1.026 162 R CA -0.304 56.001 56.100 0.342 0.000 1.102 162 R CB 0.353 30.841 30.300 0.314 0.000 0.978 162 R HN 0.756 nan 8.270 nan 0.000 0.436 163 A N 1.711 124.655 122.820 0.206 0.000 2.407 163 A HA 0.362 4.640 4.320 -0.070 0.000 0.248 163 A C 0.658 178.311 177.584 0.115 0.000 1.082 163 A CA 0.051 52.160 52.037 0.121 0.000 0.785 163 A CB 0.330 19.428 19.000 0.162 0.000 1.020 163 A HN 0.779 nan 8.150 nan 0.000 0.489 164 G N -0.270 108.545 108.800 0.025 0.000 2.614 164 G HA2 0.469 4.387 3.960 -0.070 0.000 0.239 164 G HA3 0.469 4.387 3.960 -0.070 0.000 0.239 164 G C -0.324 174.623 174.900 0.079 0.000 1.240 164 G CA -0.027 45.075 45.100 0.005 0.000 0.842 164 G HN 1.104 nan 8.290 nan 0.000 0.584 165 F N -0.090 119.791 119.950 -0.114 0.000 2.576 165 F HA 0.654 5.139 4.527 -0.070 0.000 0.313 165 F C 0.319 176.040 175.800 -0.132 0.000 1.078 165 F CA -1.634 56.296 58.000 -0.116 0.000 0.921 165 F CB 0.685 39.623 39.000 -0.104 0.000 1.232 165 F HN 0.588 nan 8.300 nan 0.000 0.459 166 V N -0.592 119.286 119.914 -0.059 0.000 3.996 166 V HA 0.116 4.194 4.120 -0.070 0.000 0.296 166 V C 1.033 176.979 176.094 -0.247 0.000 1.074 166 V CA -0.635 61.578 62.300 -0.144 0.000 1.132 166 V CB -0.452 31.328 31.823 -0.072 0.000 1.161 166 V HN 1.447 nan 8.190 nan 0.000 0.475 167 c N -1.988 116.455 118.600 -0.262 0.000 0.168 167 c HA -0.190 4.338 4.570 -0.070 0.000 0.017 167 c C -0.670 173.183 174.090 -0.396 0.000 0.171 167 c CA 0.900 57.007 56.329 -0.370 0.000 0.499 167 c CB -3.060 39.056 42.510 -0.656 0.000 3.212 167 c HN 1.038 nan 8.230 nan 0.000 1.118 168 P HA 0.166 nan 4.420 nan 0.000 0.273 168 P C 0.936 177.899 177.300 -0.562 0.000 1.372 168 P CA 2.551 65.394 63.100 -0.428 0.000 0.736 168 P CB 0.095 31.625 31.700 -0.282 0.000 1.539 169 T N -4.550 109.712 114.554 -0.487 0.000 3.351 169 T HA 0.189 4.497 4.350 -0.070 0.000 0.267 169 T C -2.537 172.091 174.700 -0.120 0.000 0.841 169 T CA 0.010 61.835 62.100 -0.459 0.000 0.827 169 T CB -1.212 67.479 68.868 -0.295 0.000 1.230 169 T HN 0.095 nan 8.240 nan 0.000 0.696 170 P HA 0.500 nan 4.420 nan 0.000 0.284 170 P C -2.773 174.668 177.300 0.234 0.000 1.292 170 P CA -1.445 61.712 63.100 0.096 0.000 0.800 170 P CB -0.138 31.588 31.700 0.043 0.000 1.188 171 P HA -0.045 nan 4.420 nan 0.000 0.260 171 P C -1.198 176.236 177.300 0.224 0.000 1.172 171 P CA 0.919 64.108 63.100 0.148 0.000 0.760 171 P CB -0.145 31.590 31.700 0.058 0.000 0.773 172 Y N 2.643 122.944 120.300 0.002 0.000 2.446 172 Y HA 0.247 4.755 4.550 -0.069 0.000 0.345 172 Y C 1.209 177.048 175.900 -0.102 0.000 0.984 172 Y CA -0.402 57.694 58.100 -0.007 0.000 1.058 172 Y CB 2.102 40.622 38.460 0.100 0.000 1.220 172 Y HN 0.428 nan 8.280 nan 0.000 0.455 173 Q N 0.502 119.925 119.800 -0.628 0.000 2.245 173 Q HA 0.240 4.538 4.340 -0.070 0.000 0.236 173 Q C -0.059 175.700 176.000 -0.402 0.000 0.842 173 Q CA 0.390 55.927 55.803 -0.443 0.000 0.945 173 Q CB 0.801 29.356 28.738 -0.306 0.000 1.122 173 Q HN 0.542 nan 8.270 nan 0.000 0.506 174 S N 0.966 116.364 115.700 -0.503 0.000 2.860 174 S HA 0.191 4.619 4.470 -0.070 0.000 0.181 174 S C 0.539 175.048 174.600 -0.153 0.000 0.763 174 S CA -0.384 57.654 58.200 -0.270 0.000 0.829 174 S CB -0.134 62.927 63.200 -0.232 0.000 0.793 174 S HN 0.321 nan 8.310 nan 0.000 0.614 175 L N 2.170 123.342 121.223 -0.085 0.000 2.474 175 L HA 0.523 4.821 4.340 -0.070 0.000 0.259 175 L C 0.226 177.097 176.870 0.002 0.000 1.232 175 L CA -0.216 54.621 54.840 -0.006 0.000 0.821 175 L CB -0.060 42.023 42.059 0.040 0.000 1.108 175 L HN 0.338 nan 8.230 nan 0.000 0.495 176 A N 2.566 125.410 122.820 0.040 0.000 2.445 176 A HA 0.271 4.549 4.320 -0.070 0.000 0.242 176 A C 0.131 177.746 177.584 0.053 0.000 1.075 176 A CA -0.340 51.727 52.037 0.051 0.000 0.777 176 A CB -0.095 19.006 19.000 0.167 0.000 1.013 176 A HN 0.799 nan 8.150 nan 0.000 0.493 177 R N 1.537 121.993 120.500 -0.073 0.000 2.421 177 R HA 0.129 4.428 4.340 -0.070 0.000 0.305 177 R C -0.883 175.481 176.300 0.107 0.000 1.039 177 R CA 0.340 56.380 56.100 -0.100 0.000 1.003 177 R CB 0.254 30.273 30.300 -0.468 0.000 0.959 177 R HN 0.663 nan 8.270 nan 0.000 0.427 178 E N 4.051 124.321 120.200 0.117 0.000 2.165 178 E HA 0.128 4.436 4.350 -0.070 0.000 0.266 178 E C -0.741 175.920 176.600 0.101 0.000 0.889 178 E CA -0.940 55.532 56.400 0.121 0.000 0.756 178 E CB 1.906 31.667 29.700 0.101 0.000 1.131 178 E HN 0.545 nan 8.360 nan 0.000 0.411 179 Q N 1.045 120.865 119.800 0.034 0.000 2.443 179 Q HA 0.376 4.674 4.340 -0.070 0.000 0.232 179 Q C 0.078 176.066 176.000 -0.019 0.000 1.026 179 Q CA 0.027 55.804 55.803 -0.044 0.000 0.924 179 Q CB 0.816 29.374 28.738 -0.301 0.000 1.256 179 Q HN 0.467 nan 8.270 nan 0.000 0.519 180 I N 1.322 121.863 120.570 -0.048 0.000 2.428 180 I HA 0.224 4.352 4.170 -0.070 0.000 0.296 180 I C -0.132 175.958 176.117 -0.046 0.000 0.985 180 I CA -0.771 60.495 61.300 -0.057 0.000 1.260 180 I CB 1.251 39.187 38.000 -0.107 0.000 1.389 180 I HN 0.455 nan 8.210 nan 0.000 0.484 181 N N 4.394 123.083 118.700 -0.018 0.000 2.485 181 N HA 0.333 5.032 4.740 -0.070 0.000 0.243 181 N C 0.345 175.864 175.510 0.014 0.000 0.987 181 N CA -0.302 52.753 53.050 0.009 0.000 0.940 181 N CB 1.675 40.179 38.487 0.028 0.000 1.122 181 N HN 0.715 nan 8.380 nan 0.000 0.509 182 A N 2.559 125.385 122.820 0.010 0.000 2.239 182 A HA 0.112 4.390 4.320 -0.070 0.000 0.209 182 A C 0.721 178.388 177.584 0.138 0.000 1.171 182 A CA 0.675 52.741 52.037 0.048 0.000 0.768 182 A CB -0.364 18.635 19.000 -0.002 0.000 0.790 182 A HN 0.499 nan 8.150 nan 0.000 0.478 183 V N -3.662 116.339 119.914 0.146 0.000 3.113 183 V HA 0.745 4.823 4.120 -0.070 0.000 0.316 183 V C 0.114 176.266 176.094 0.097 0.000 1.125 183 V CA -0.322 62.060 62.300 0.137 0.000 1.026 183 V CB 0.967 32.884 31.823 0.156 0.000 1.080 183 V HN 0.351 nan 8.190 nan 0.000 0.444 184 T N -0.700 113.918 114.554 0.108 0.000 2.919 184 T HA 0.250 4.558 4.350 -0.070 0.000 0.302 184 T C 0.956 175.661 174.700 0.010 0.000 1.031 184 T CA 0.444 62.599 62.100 0.092 0.000 1.127 184 T CB 0.968 69.963 68.868 0.212 0.000 0.952 184 T HN 0.824 nan 8.240 nan 0.000 0.540 185 S N 1.597 117.180 115.700 -0.195 0.000 2.481 185 S HA 0.140 4.568 4.470 -0.070 0.000 0.231 185 S C 0.269 174.702 174.600 -0.278 0.000 0.996 185 S CA 0.168 58.194 58.200 -0.289 0.000 0.942 185 S CB -0.510 62.440 63.200 -0.417 0.000 0.768 185 S HN 0.698 nan 8.310 nan 0.000 0.520 186 F N 1.245 121.289 119.950 0.156 0.000 2.429 186 F HA 0.261 4.746 4.527 -0.071 0.000 0.348 186 F C 0.606 176.548 175.800 0.237 0.000 1.109 186 F CA -0.701 57.424 58.000 0.209 0.000 1.232 186 F CB 0.400 39.533 39.000 0.222 0.000 1.157 186 F HN -0.021 nan 8.300 nan 0.000 0.564 187 L N 4.209 125.727 121.223 0.492 0.000 2.448 187 L HA 0.078 4.376 4.340 -0.070 0.000 0.278 187 L C -0.188 176.918 176.870 0.393 0.000 1.201 187 L CA 0.082 55.187 54.840 0.440 0.000 1.036 187 L CB -0.466 41.937 42.059 0.572 0.000 1.325 187 L HN 0.767 nan 8.230 nan 0.000 0.441 188 D N 2.124 122.720 120.400 0.327 0.000 2.582 188 D HA 0.158 4.756 4.640 -0.070 0.000 0.246 188 D C 0.707 177.159 176.300 0.254 0.000 1.334 188 D CA 0.245 54.410 54.000 0.275 0.000 0.805 188 D CB 0.569 41.526 40.800 0.261 0.000 1.087 188 D HN 0.351 nan 8.370 nan 0.000 0.499 189 A N 0.678 123.640 122.820 0.237 0.000 2.905 189 A HA -0.256 4.022 4.320 -0.070 0.000 0.260 189 A C 1.784 179.491 177.584 0.206 0.000 1.398 189 A CA 1.196 53.357 52.037 0.207 0.000 0.840 189 A CB -2.636 16.546 19.000 0.303 0.000 1.059 189 A HN 0.803 nan 8.150 nan 0.000 0.647 190 S N -0.403 115.411 115.700 0.190 0.000 2.469 190 S HA -0.072 4.356 4.470 -0.070 0.000 0.238 190 S C 1.703 176.348 174.600 0.075 0.000 0.998 190 S CA 1.288 59.587 58.200 0.165 0.000 0.957 190 S CB -0.870 62.423 63.200 0.155 0.000 0.764 190 S HN 1.813 nan 8.310 nan 0.000 0.514 191 L N -1.034 120.215 121.223 0.044 0.000 2.465 191 L HA 0.228 4.526 4.340 -0.070 0.000 0.224 191 L C 1.810 178.691 176.870 0.019 0.000 1.145 191 L CA 0.518 55.382 54.840 0.040 0.000 0.834 191 L CB -0.350 41.743 42.059 0.057 0.000 0.944 191 L HN 0.163 nan 8.230 nan 0.000 0.451 192 V N -0.869 118.961 119.914 -0.140 0.000 2.672 192 V HA -0.047 4.031 4.120 -0.070 0.000 0.242 192 V C 1.829 177.626 176.094 -0.495 0.000 1.059 192 V CA 1.112 63.183 62.300 -0.381 0.000 1.081 192 V CB -0.407 30.979 31.823 -0.729 0.000 0.752 192 V HN 0.379 nan 8.190 nan 0.000 0.472 193 Y N 0.720 121.006 120.300 -0.023 0.000 2.497 193 Y HA 0.541 5.043 4.550 -0.079 0.000 0.265 193 Y C 1.376 177.269 175.900 -0.012 0.000 1.111 193 Y CA 0.597 58.690 58.100 -0.012 0.000 1.288 193 Y CB 0.341 38.803 38.460 0.002 0.000 1.082 193 Y HN 0.351 nan 8.280 nan 0.000 0.536 194 G N -0.275 108.570 108.800 0.076 0.000 2.612 194 G HA2 -0.142 3.776 3.960 -0.070 0.000 0.686 194 G HA3 -0.142 3.776 3.960 -0.070 0.000 0.686 194 G C 0.135 175.078 174.900 0.072 0.000 1.274 194 G CA -0.228 44.881 45.100 0.015 0.000 0.849 194 G HN 0.002 nan 8.290 nan 0.000 0.595 195 S N 0.020 115.754 115.700 0.056 0.000 2.603 195 S HA 0.297 4.725 4.470 -0.070 0.000 0.232 195 S C 0.443 175.092 174.600 0.081 0.000 1.016 195 S CA 0.481 58.733 58.200 0.087 0.000 0.976 195 S CB 0.458 63.718 63.200 0.100 0.000 0.921 195 S HN 0.585 nan 8.310 nan 0.000 0.516 196 E N 1.681 121.923 120.200 0.069 0.000 2.256 196 E HA 0.401 4.709 4.350 -0.070 0.000 0.267 196 E C -2.788 173.842 176.600 0.051 0.000 0.892 196 E CA -2.372 54.067 56.400 0.064 0.000 0.775 196 E CB 1.465 31.210 29.700 0.076 0.000 1.207 196 E HN 0.005 nan 8.360 nan 0.000 0.420 200 A N -0.072 122.759 122.820 0.018 0.000 1.927 200 A HA -0.284 3.994 4.320 -0.070 0.000 0.220 200 A C 2.337 179.905 177.584 -0.026 0.000 1.185 200 A CA 2.963 55.022 52.037 0.038 0.000 0.639 200 A CB -1.094 17.948 19.000 0.070 0.000 0.820 200 A HN 0.620 nan 8.150 nan 0.000 0.451 201 S N -0.943 114.730 115.700 -0.045 0.000 2.371 201 S HA -0.169 4.259 4.470 -0.070 0.000 0.224 201 S C 2.183 176.745 174.600 -0.064 0.000 1.029 201 S CA 1.330 59.480 58.200 -0.083 0.000 0.978 201 S CB -0.373 62.791 63.200 -0.060 0.000 0.833 201 S HN 0.628 nan 8.310 nan 0.000 0.466 202 R N -0.292 120.190 120.500 -0.030 0.000 2.148 202 R HA 0.024 4.322 4.340 -0.070 0.000 0.227 202 R C 1.570 177.857 176.300 -0.022 0.000 1.103 202 R CA 0.949 57.039 56.100 -0.016 0.000 0.983 202 R CB -0.207 30.097 30.300 0.007 0.000 0.874 202 R HN 0.360 nan 8.270 nan 0.000 0.451 203 L N 0.686 121.891 121.223 -0.030 0.000 2.313 203 L HA 0.080 4.378 4.340 -0.070 0.000 0.214 203 L C 0.668 177.516 176.870 -0.037 0.000 1.119 203 L CA 1.157 55.977 54.840 -0.033 0.000 0.809 203 L CB -0.461 41.580 42.059 -0.030 0.000 0.933 203 L HN 0.053 nan 8.230 nan 0.000 0.449 204 R N 0.195 120.656 120.500 -0.064 0.000 2.531 204 R HA 0.138 4.436 4.340 -0.070 0.000 0.273 204 R C 0.213 176.482 176.300 -0.052 0.000 1.070 204 R CA -0.500 55.548 56.100 -0.087 0.000 1.112 204 R CB 0.318 30.479 30.300 -0.232 0.000 1.049 204 R HN -0.086 nan 8.270 nan 0.000 0.508 205 N N 2.773 121.459 118.700 -0.022 0.000 2.645 205 N HA 0.083 4.781 4.740 -0.070 0.000 0.233 205 N C -0.002 175.500 175.510 -0.014 0.000 1.058 205 N CA -0.030 53.020 53.050 -0.001 0.000 0.942 205 N CB 0.525 39.032 38.487 0.033 0.000 1.210 205 N HN 0.549 nan 8.380 nan 0.000 0.512 206 L N 1.498 122.704 121.223 -0.028 0.000 2.607 206 L HA 0.080 4.378 4.340 -0.070 0.000 0.228 206 L C 1.667 178.530 176.870 -0.012 0.000 1.123 206 L CA 0.117 54.937 54.840 -0.034 0.000 0.890 206 L CB 0.004 42.031 42.059 -0.053 0.000 1.103 206 L HN 0.445 nan 8.230 nan 0.000 0.468 207 S N -2.196 113.505 115.700 0.001 0.000 2.593 207 S HA 0.051 4.479 4.470 -0.070 0.000 0.217 207 S C 0.739 175.348 174.600 0.015 0.000 0.966 207 S CA -0.199 58.007 58.200 0.009 0.000 0.914 207 S CB 0.070 63.279 63.200 0.015 0.000 0.776 207 S HN 0.273 nan 8.310 nan 0.000 0.523 208 S N 1.863 117.573 115.700 0.018 0.000 2.538 208 S HA 0.562 4.990 4.470 -0.070 0.000 0.288 208 S C -2.883 171.732 174.600 0.025 0.000 1.108 208 S CA -1.295 56.920 58.200 0.025 0.000 0.971 208 S CB 1.913 65.134 63.200 0.034 0.000 1.041 208 S HN 0.100 nan 8.310 nan 0.000 0.483 209 P HA 0.256 nan 4.420 nan 0.000 0.249 209 P C 0.194 177.522 177.300 0.047 0.000 1.593 209 P CA -0.095 63.025 63.100 0.034 0.000 0.896 209 P CB -0.364 31.357 31.700 0.035 0.000 1.581 210 L N -1.652 119.602 121.223 0.051 0.000 2.693 210 L HA 0.359 4.657 4.340 -0.070 0.000 0.235 210 L C 1.422 178.341 176.870 0.082 0.000 1.127 210 L CA 0.365 55.241 54.840 0.061 0.000 0.914 210 L CB -0.487 41.603 42.059 0.052 0.000 1.193 210 L HN 0.101 nan 8.230 nan 0.000 0.502 211 G N 1.376 110.235 108.800 0.098 0.000 2.273 211 G HA2 -0.265 3.653 3.960 -0.070 0.000 0.280 211 G HA3 -0.265 3.653 3.960 -0.070 0.000 0.280 211 G C 0.029 175.103 174.900 0.290 0.000 1.047 211 G CA 0.164 45.369 45.100 0.175 0.000 0.869 211 G HN 0.242 nan 8.290 nan 0.000 0.502 212 L N -0.550 120.800 121.223 0.212 0.000 2.387 212 L HA 0.701 4.999 4.340 -0.070 0.000 0.266 212 L C 0.997 178.002 176.870 0.225 0.000 1.059 212 L CA -1.324 53.670 54.840 0.256 0.000 0.801 212 L CB 0.850 42.993 42.059 0.141 0.000 1.223 212 L HN 0.017 nan 8.230 nan 0.000 0.456 213 M N 1.101 120.826 119.600 0.208 0.000 2.314 213 M HA 0.367 4.805 4.480 -0.070 0.000 0.342 213 M C 0.146 176.462 176.300 0.027 0.000 1.171 213 M CA -0.589 54.749 55.300 0.063 0.000 1.098 213 M CB 1.288 33.877 32.600 -0.018 0.000 1.559 213 M HN 0.674 nan 8.290 nan 0.000 0.459 214 A N 2.692 125.508 122.820 -0.007 0.000 2.498 214 A HA 0.467 4.745 4.320 -0.070 0.000 0.239 214 A C 0.080 177.629 177.584 -0.058 0.000 1.068 214 A CA -0.397 51.629 52.037 -0.018 0.000 0.766 214 A CB -0.014 18.974 19.000 -0.021 0.000 1.003 214 A HN 0.817 nan 8.150 nan 0.000 0.497 215 V N 0.790 120.658 119.914 -0.077 0.000 3.126 215 V HA 0.541 4.620 4.120 -0.070 0.000 0.314 215 V C 0.241 176.201 176.094 -0.223 0.000 1.138 215 V CA -1.418 60.771 62.300 -0.184 0.000 1.034 215 V CB 1.649 33.322 31.823 -0.250 0.000 1.075 215 V HN 0.894 nan 8.190 nan 0.000 0.442 216 N N 1.504 119.992 118.700 -0.353 0.000 2.441 216 N HA 0.116 4.814 4.740 -0.070 0.000 0.251 216 N C 0.290 175.620 175.510 -0.299 0.000 1.242 216 N CA 0.157 52.996 53.050 -0.352 0.000 0.898 216 N CB 1.284 39.506 38.487 -0.441 0.000 1.100 216 N HN 0.809 nan 8.380 nan 0.000 0.443 217 Q N 1.285 121.036 119.800 -0.082 0.000 2.280 217 Q HA 0.117 4.415 4.340 -0.070 0.000 0.228 217 Q C 0.391 176.505 176.000 0.190 0.000 0.857 217 Q CA 0.236 56.112 55.803 0.121 0.000 0.939 217 Q CB 0.546 29.365 28.738 0.134 0.000 1.114 217 Q HN 0.616 nan 8.270 nan 0.000 0.514 218 E N 0.663 120.939 120.200 0.127 0.000 2.318 218 E HA 0.210 4.518 4.350 -0.070 0.000 0.193 218 E C 0.155 176.898 176.600 0.239 0.000 0.998 218 E CA 0.229 56.758 56.400 0.216 0.000 0.859 218 E CB 0.819 30.717 29.700 0.329 0.000 0.812 218 E HN 0.141 nan 8.360 nan 0.000 0.492 219 A N 0.220 123.133 122.820 0.154 0.000 2.520 219 A HA 0.577 4.856 4.320 -0.070 0.000 0.298 219 A C -1.854 175.785 177.584 0.092 0.000 1.051 219 A CA -0.687 51.498 52.037 0.247 0.000 0.690 219 A CB 0.931 20.076 19.000 0.241 0.000 1.281 219 A HN 0.057 nan 8.150 nan 0.000 0.402 220 W N 0.066 121.489 121.300 0.205 0.000 2.962 220 W HA 0.582 5.198 4.660 -0.073 0.000 0.341 220 W C -0.855 175.551 176.519 -0.188 0.000 1.155 220 W CA -0.043 57.268 57.345 -0.056 0.000 1.165 220 W CB 1.874 31.302 29.460 -0.052 0.000 1.435 220 W HN 0.641 nan 8.180 nan 0.000 0.546 221 D N 0.782 121.043 120.400 -0.232 0.000 2.458 221 D HA 0.185 4.783 4.640 -0.070 0.000 0.258 221 D C 0.108 176.493 176.300 0.141 0.000 1.134 221 D CA 0.020 53.917 54.000 -0.172 0.000 0.915 221 D CB -0.385 40.105 40.800 -0.517 0.000 1.028 221 D HN 0.509 nan 8.370 nan 0.000 0.508 222 H N 2.243 121.390 119.070 0.128 0.000 2.692 222 H HA -0.202 4.312 4.556 -0.070 0.000 0.316 222 H C 1.184 176.628 175.328 0.194 0.000 1.176 222 H CA 1.093 57.246 56.048 0.174 0.000 1.142 222 H CB -1.216 28.710 29.762 0.273 0.000 1.475 222 H HN 0.761 nan 8.280 nan 0.000 0.423 223 G N -0.702 108.227 108.800 0.216 0.000 2.179 223 G HA2 -0.295 3.623 3.960 -0.070 0.000 0.260 223 G HA3 -0.295 3.623 3.960 -0.070 0.000 0.260 223 G C 0.223 175.279 174.900 0.260 0.000 0.977 223 G CA 0.379 45.569 45.100 0.151 0.000 0.641 223 G HN 0.438 nan 8.290 nan 0.000 0.533 224 L N 0.309 121.669 121.223 0.227 0.000 2.330 224 L HA 0.814 5.112 4.340 -0.070 0.000 0.271 224 L C 0.955 177.775 176.870 -0.083 0.000 1.013 224 L CA -0.732 54.147 54.840 0.066 0.000 0.816 224 L CB 1.812 43.778 42.059 -0.155 0.000 1.287 224 L HN 0.257 nan 8.230 nan 0.000 0.435 225 A N 1.774 124.463 122.820 -0.217 0.000 2.366 225 A HA 0.483 4.761 4.320 -0.070 0.000 0.249 225 A C -1.132 176.102 177.584 -0.583 0.000 1.084 225 A CA 0.162 51.860 52.037 -0.565 0.000 0.794 225 A CB 0.221 18.983 19.000 -0.396 0.000 1.034 225 A HN 0.612 nan 8.150 nan 0.000 0.491 226 Y N -0.485 119.494 120.300 -0.536 0.000 2.562 226 Y HA 0.480 4.989 4.550 -0.069 0.000 0.343 226 Y C 0.219 175.808 175.900 -0.518 0.000 1.025 226 Y CA -1.023 56.776 58.100 -0.503 0.000 1.082 226 Y CB 1.678 39.876 38.460 -0.436 0.000 1.264 226 Y HN 0.530 nan 8.280 nan 0.000 0.478 227 L N 4.549 125.509 121.223 -0.438 0.000 2.452 227 L HA 0.237 4.535 4.340 -0.070 0.000 0.267 227 L C -2.145 174.611 176.870 -0.190 0.000 1.188 227 L CA -1.913 52.726 54.840 -0.335 0.000 0.821 227 L CB 0.088 41.904 42.059 -0.405 0.000 1.102 227 L HN 0.281 nan 8.230 nan 0.000 0.470 228 P HA 0.047 nan 4.420 nan 0.000 0.272 228 P C -0.776 176.526 177.300 0.003 0.000 1.230 228 P CA -0.165 62.860 63.100 -0.124 0.000 0.788 228 P CB 0.444 32.112 31.700 -0.054 0.000 0.949 229 F N 0.645 120.659 119.950 0.107 0.000 2.406 229 F HA 0.237 4.724 4.527 -0.068 0.000 0.327 229 F C 1.486 177.308 175.800 0.038 0.000 1.153 229 F CA 0.059 58.087 58.000 0.048 0.000 1.218 229 F CB -0.196 38.795 39.000 -0.016 0.000 1.215 229 F HN 0.263 nan 8.300 nan 0.000 0.570 230 N N 1.062 119.911 118.700 0.249 0.000 2.508 230 N HA 0.076 4.774 4.740 -0.070 0.000 0.285 230 N C 0.240 175.810 175.510 0.099 0.000 1.144 230 N CA -0.146 52.993 53.050 0.149 0.000 0.978 230 N CB 0.734 39.301 38.487 0.133 0.000 1.180 230 N HN 0.483 nan 8.380 nan 0.000 0.484 231 N N 1.224 119.970 118.700 0.077 0.000 2.280 231 N HA 0.015 4.713 4.740 -0.070 0.000 0.192 231 N C -0.667 174.854 175.510 0.019 0.000 1.109 231 N CA 0.294 53.373 53.050 0.049 0.000 0.855 231 N CB 0.068 38.584 38.487 0.049 0.000 0.974 231 N HN 0.491 nan 8.380 nan 0.000 0.482 232 K N 1.023 121.430 120.400 0.012 0.000 2.234 232 K HA 0.225 4.503 4.320 -0.070 0.000 0.277 232 K C -0.745 175.837 176.600 -0.031 0.000 1.038 232 K CA -0.304 55.973 56.287 -0.017 0.000 0.888 232 K CB 0.700 33.182 32.500 -0.030 0.000 1.091 232 K HN -0.121 nan 8.250 nan 0.000 0.467 233 K N 4.146 124.523 120.400 -0.038 0.000 2.207 233 K HA 0.396 4.674 4.320 -0.070 0.000 0.255 233 K C -2.214 174.354 176.600 -0.053 0.000 0.941 233 K CA -1.917 54.344 56.287 -0.043 0.000 0.825 233 K CB 1.413 33.891 32.500 -0.037 0.000 1.119 233 K HN 0.579 nan 8.250 nan 0.000 0.430 234 P HA 0.059 nan 4.420 nan 0.000 0.276 234 P C -0.946 176.317 177.300 -0.060 0.000 1.230 234 P CA -0.423 62.648 63.100 -0.048 0.000 0.776 234 P CB 1.152 32.822 31.700 -0.051 0.000 0.888 235 S N 2.581 118.259 115.700 -0.038 0.000 2.451 235 S HA 0.388 4.816 4.470 -0.070 0.000 0.301 235 S C -1.504 173.089 174.600 -0.012 0.000 1.116 235 S CA -1.280 56.895 58.200 -0.041 0.000 1.093 235 S CB 1.705 64.883 63.200 -0.035 0.000 1.017 235 S HN 0.295 nan 8.310 nan 0.000 0.482 236 P HA -0.014 nan 4.420 nan 0.000 0.222 236 P C 1.028 178.381 177.300 0.088 0.000 1.147 236 P CA 0.659 63.741 63.100 -0.030 0.000 0.790 236 P CB -0.293 31.186 31.700 -0.369 0.000 0.780 237 c N 0.616 119.263 118.600 0.078 0.000 2.457 237 c HA -0.044 4.484 4.570 -0.070 0.000 0.278 237 c C 2.614 176.748 174.090 0.073 0.000 1.309 237 c CA 0.863 57.256 56.329 0.106 0.000 1.735 237 c CB -1.333 41.213 42.510 0.060 0.000 1.992 237 c HN 0.397 nan 8.230 nan 0.000 0.493 238 E N 0.130 120.350 120.200 0.033 0.000 2.299 238 E HA -0.123 4.185 4.350 -0.070 0.000 0.193 238 E C 1.802 178.422 176.600 0.034 0.000 0.998 238 E CA 0.621 57.017 56.400 -0.007 0.000 0.851 238 E CB -0.463 29.202 29.700 -0.058 0.000 0.795 238 E HN 0.659 nan 8.360 nan 0.000 0.492 239 F N 3.430 123.366 119.950 -0.023 0.000 2.186 239 F HA -0.058 4.427 4.527 -0.070 0.000 0.299 239 F C 2.139 177.948 175.800 0.015 0.000 1.090 239 F CA 1.286 59.292 58.000 0.010 0.000 1.307 239 F CB -0.079 38.962 39.000 0.068 0.000 1.019 239 F HN -0.009 nan 8.300 nan 0.000 0.489 240 I N -1.268 119.340 120.570 0.063 0.000 3.083 240 I HA -0.067 4.061 4.170 -0.070 0.000 0.273 240 I C 0.018 176.092 176.117 -0.072 0.000 1.297 240 I CA 1.059 62.353 61.300 -0.009 0.000 1.452 240 I CB -0.548 37.494 38.000 0.070 0.000 1.078 240 I HN 0.243 nan 8.210 nan 0.000 0.484 241 N N 1.093 119.712 118.700 -0.135 0.000 3.153 241 N HA 0.012 4.710 4.740 -0.070 0.000 0.208 241 N C 0.631 175.995 175.510 -0.243 0.000 1.462 241 N CA 0.443 53.355 53.050 -0.230 0.000 0.754 241 N CB 0.549 38.807 38.487 -0.381 0.000 1.558 241 N HN 0.227 nan 8.380 nan 0.000 0.605 242 T N -2.158 112.257 114.554 -0.232 0.000 3.077 242 T HA -0.075 4.234 4.350 -0.070 0.000 0.269 242 T C 1.354 175.946 174.700 -0.179 0.000 1.146 242 T CA 1.522 63.512 62.100 -0.183 0.000 1.091 242 T CB -0.053 68.714 68.868 -0.168 0.000 0.892 242 T HN 0.243 nan 8.240 nan 0.000 0.533 243 T N 1.673 116.093 114.554 -0.223 0.000 2.852 243 T HA 0.314 4.623 4.350 -0.070 0.000 0.256 243 T C 2.502 177.061 174.700 -0.236 0.000 1.038 243 T CA 0.789 62.761 62.100 -0.214 0.000 1.141 243 T CB -0.612 68.115 68.868 -0.236 0.000 0.869 243 T HN 0.550 nan 8.240 nan 0.000 0.439 244 A N 0.894 123.513 122.820 -0.336 0.000 1.969 244 A HA 0.085 4.363 4.320 -0.070 0.000 0.218 244 A C 1.231 178.694 177.584 -0.203 0.000 1.169 244 A CA 0.729 52.575 52.037 -0.318 0.000 0.635 244 A CB -0.496 18.181 19.000 -0.538 0.000 0.810 244 A HN 0.483 nan 8.150 nan 0.000 0.445 245 R N -1.239 119.145 120.500 -0.193 0.000 3.127 245 R HA -0.147 4.151 4.340 -0.070 0.000 0.247 245 R C -1.318 174.862 176.300 -0.201 0.000 0.896 245 R CA 0.541 56.543 56.100 -0.163 0.000 0.624 245 R CB -1.690 28.523 30.300 -0.144 0.000 1.154 245 R HN 0.243 nan 8.270 nan 0.000 0.474 246 V N 2.868 122.669 119.914 -0.187 0.000 2.357 246 V HA 0.356 4.434 4.120 -0.070 0.000 0.284 246 V C -1.371 174.524 176.094 -0.333 0.000 1.018 246 V CA -1.481 60.637 62.300 -0.303 0.000 0.841 246 V CB 1.709 33.459 31.823 -0.121 0.000 0.991 246 V HN 0.267 nan 8.190 nan 0.000 0.437 247 P HA 0.160 nan 4.420 nan 0.000 0.273 247 P C -0.073 177.079 177.300 -0.246 0.000 1.250 247 P CA -0.322 62.576 63.100 -0.337 0.000 0.793 247 P CB 0.792 32.278 31.700 -0.356 0.000 1.011 248 c N 0.027 118.567 118.600 -0.099 0.000 2.639 248 c HA 0.300 4.828 4.570 -0.070 0.000 0.360 248 c C 1.131 175.194 174.090 -0.046 0.000 1.351 248 c CA -0.190 56.097 56.329 -0.071 0.000 2.408 248 c CB -1.147 41.420 42.510 0.096 0.000 2.517 248 c HN 0.412 nan 8.230 nan 0.000 0.696 249 F N 0.371 120.408 119.950 0.144 0.000 2.370 249 F HA 0.483 4.970 4.527 -0.066 0.000 0.319 249 F C 0.277 176.090 175.800 0.021 0.000 1.129 249 F CA -0.712 57.329 58.000 0.069 0.000 1.109 249 F CB 0.512 39.492 39.000 -0.032 0.000 1.262 249 F HN 0.230 nan 8.300 nan 0.000 0.534 250 L N 2.182 123.529 121.223 0.207 0.000 2.276 250 L HA 0.726 5.024 4.340 -0.070 0.000 0.286 250 L C -0.483 176.362 176.870 -0.042 0.000 1.024 250 L CA -0.104 54.780 54.840 0.074 0.000 0.826 250 L CB 0.172 42.274 42.059 0.072 0.000 1.211 250 L HN 0.661 nan 8.230 nan 0.000 0.422 251 A N 3.020 125.755 122.820 -0.141 0.000 2.483 251 A HA 0.679 4.957 4.320 -0.070 0.000 0.286 251 A C 0.923 178.338 177.584 -0.280 0.000 1.207 251 A CA -0.115 51.781 52.037 -0.236 0.000 0.764 251 A CB 0.714 19.458 19.000 -0.426 0.000 1.341 251 A HN 0.765 nan 8.150 nan 0.000 0.428 252 G N -0.971 107.693 108.800 -0.227 0.000 2.498 252 G HA2 0.130 4.048 3.960 -0.070 0.000 0.219 252 G HA3 0.130 4.048 3.960 -0.070 0.000 0.219 252 G C 0.167 174.885 174.900 -0.304 0.000 1.119 252 G CA 1.502 46.475 45.100 -0.211 0.000 0.766 252 G HN 0.801 nan 8.290 nan 0.000 0.552 253 D N -2.359 117.847 120.400 -0.324 0.000 2.481 253 D HA 0.460 5.058 4.640 -0.070 0.000 0.244 253 D C 0.494 176.532 176.300 -0.436 0.000 1.057 253 D CA -0.869 52.913 54.000 -0.363 0.000 0.848 253 D CB 1.188 41.894 40.800 -0.157 0.000 1.388 253 D HN -0.042 nan 8.370 nan 0.000 0.475 254 F N 1.124 120.974 119.950 -0.166 0.000 2.604 254 F HA 0.102 4.588 4.527 -0.067 0.000 0.298 254 F C 1.960 177.668 175.800 -0.154 0.000 1.131 254 F CA 0.300 58.229 58.000 -0.119 0.000 1.457 254 F CB 0.168 39.161 39.000 -0.011 0.000 1.095 254 F HN 0.228 nan 8.300 nan 0.000 0.574 255 R N -0.170 120.226 120.500 -0.174 0.000 2.317 255 R HA 0.192 4.490 4.340 -0.070 0.000 0.208 255 R C 2.261 178.523 176.300 -0.063 0.000 0.914 255 R CA 0.489 56.489 56.100 -0.167 0.000 1.060 255 R CB -0.249 29.758 30.300 -0.489 0.000 1.015 255 R HN 0.171 nan 8.270 nan 0.000 0.498 256 A N 0.993 123.746 122.820 -0.113 0.000 1.971 256 A HA -0.233 4.045 4.320 -0.070 0.000 0.222 256 A C 1.828 179.409 177.584 -0.005 0.000 1.182 256 A CA 2.084 54.015 52.037 -0.177 0.000 0.649 256 A CB -0.330 18.315 19.000 -0.592 0.000 0.818 256 A HN 0.242 nan 8.150 nan 0.000 0.458 257 S N -0.862 114.863 115.700 0.042 0.000 2.577 257 S HA 0.059 4.487 4.470 -0.070 0.000 0.219 257 S C 1.444 175.892 174.600 -0.254 0.000 0.962 257 S CA 0.303 58.539 58.200 0.060 0.000 0.921 257 S CB 0.143 63.464 63.200 0.202 0.000 0.789 257 S HN 0.701 nan 8.310 nan 0.000 0.497 258 E N 1.856 121.770 120.200 -0.476 0.000 2.171 258 E HA -0.216 4.092 4.350 -0.070 0.000 0.197 258 E C 0.299 176.611 176.600 -0.479 0.000 0.997 258 E CA 1.174 56.979 56.400 -0.991 0.000 0.810 258 E CB 0.159 29.572 29.700 -0.479 0.000 0.738 258 E HN 0.722 nan 8.360 nan 0.000 0.467 259 Q N -1.488 118.216 119.800 -0.159 0.000 2.391 259 Q HA 0.283 4.581 4.340 -0.070 0.000 0.279 259 Q C 0.467 176.463 176.000 -0.008 0.000 1.028 259 Q CA -0.381 55.421 55.803 -0.002 0.000 0.836 259 Q CB 0.567 29.376 28.738 0.117 0.000 1.414 259 Q HN 0.009 nan 8.270 nan 0.000 0.397 260 I N 0.711 121.268 120.570 -0.021 0.000 2.315 260 I HA -0.258 3.870 4.170 -0.070 0.000 0.251 260 I C 0.683 176.800 176.117 -0.001 0.000 1.125 260 I CA 1.333 62.623 61.300 -0.017 0.000 1.392 260 I CB 0.173 38.126 38.000 -0.078 0.000 1.065 260 I HN 0.794 nan 8.210 nan 0.000 0.424 261 L N -0.386 120.834 121.223 -0.006 0.000 2.240 261 L HA -0.120 4.178 4.340 -0.070 0.000 0.211 261 L C 1.989 178.869 176.870 0.017 0.000 1.106 261 L CA 1.316 56.157 54.840 0.003 0.000 0.793 261 L CB -0.894 41.166 42.059 0.001 0.000 0.927 261 L HN 0.280 nan 8.230 nan 0.000 0.446 262 L N -0.369 120.866 121.223 0.021 0.000 2.072 262 L HA 0.008 4.306 4.340 -0.070 0.000 0.205 262 L C 2.474 179.420 176.870 0.126 0.000 1.079 262 L CA 1.907 56.772 54.840 0.041 0.000 0.752 262 L CB -0.921 41.165 42.059 0.044 0.000 0.906 262 L HN 0.147 nan 8.230 nan 0.000 0.436 263 A N -1.401 121.488 122.820 0.114 0.000 1.933 263 A HA -0.192 4.086 4.320 -0.070 0.000 0.218 263 A C 2.248 179.857 177.584 0.043 0.000 1.175 263 A CA 2.218 54.328 52.037 0.120 0.000 0.628 263 A CB -1.205 17.912 19.000 0.195 0.000 0.814 263 A HN 0.514 nan 8.150 nan 0.000 0.444 264 T N 0.180 114.754 114.554 0.033 0.000 2.746 264 T HA -0.032 4.276 4.350 -0.070 0.000 0.267 264 T C 2.220 176.931 174.700 0.018 0.000 1.039 264 T CA 1.613 63.716 62.100 0.006 0.000 1.142 264 T CB -0.405 68.468 68.868 0.009 0.000 0.866 264 T HN 0.603 nan 8.240 nan 0.000 0.444 265 A N 1.050 123.896 122.820 0.044 0.000 1.930 265 A HA -0.159 4.119 4.320 -0.070 0.000 0.217 265 A C 2.108 179.682 177.584 -0.016 0.000 1.175 265 A CA 1.279 53.351 52.037 0.058 0.000 0.627 265 A CB -0.792 18.228 19.000 0.033 0.000 0.815 265 A HN 0.536 nan 8.150 nan 0.000 0.443 266 H N -0.223 118.813 119.070 -0.056 0.000 2.387 266 H HA -0.091 4.425 4.556 -0.067 0.000 0.299 266 H C 2.205 177.442 175.328 -0.152 0.000 1.090 266 H CA 1.980 57.963 56.048 -0.107 0.000 1.332 266 H CB -0.280 29.410 29.762 -0.120 0.000 1.386 266 H HN 0.482 nan 8.280 nan 0.000 0.516 267 T N 1.359 115.880 114.554 -0.054 0.000 2.821 267 T HA -0.095 4.213 4.350 -0.070 0.000 0.267 267 T C 2.188 176.810 174.700 -0.129 0.000 1.046 267 T CA 0.391 62.404 62.100 -0.145 0.000 1.139 267 T CB -0.188 68.576 68.868 -0.174 0.000 0.871 267 T HN 0.032 nan 8.240 nan 0.000 0.454 268 L N 0.902 122.067 121.223 -0.097 0.000 2.046 268 L HA 0.054 4.352 4.340 -0.070 0.000 0.208 268 L C 2.289 179.071 176.870 -0.146 0.000 1.077 268 L CA 1.451 56.217 54.840 -0.124 0.000 0.747 268 L CB -1.184 40.823 42.059 -0.087 0.000 0.896 268 L HN 0.302 nan 8.230 nan 0.000 0.432 269 L N -1.665 119.492 121.223 -0.109 0.000 2.093 269 L HA -0.206 4.092 4.340 -0.070 0.000 0.208 269 L C 2.481 179.275 176.870 -0.126 0.000 1.085 269 L CA 0.658 55.424 54.840 -0.123 0.000 0.755 269 L CB -0.541 41.456 42.059 -0.104 0.000 0.904 269 L HN 0.244 nan 8.230 nan 0.000 0.435 270 L N 0.004 121.153 121.223 -0.124 0.000 2.017 270 L HA -0.211 4.087 4.340 -0.070 0.000 0.208 270 L C 2.827 179.656 176.870 -0.069 0.000 1.073 270 L CA 1.648 56.420 54.840 -0.113 0.000 0.745 270 L CB -0.310 41.666 42.059 -0.139 0.000 0.894 270 L HN 0.079 nan 8.230 nan 0.000 0.432 271 R N -0.615 119.818 120.500 -0.112 0.000 2.096 271 R HA -0.212 4.086 4.340 -0.070 0.000 0.235 271 R C 2.234 178.467 176.300 -0.112 0.000 1.127 271 R CA 1.473 57.505 56.100 -0.113 0.000 0.968 271 R CB -0.407 29.802 30.300 -0.153 0.000 0.861 271 R HN 0.391 nan 8.270 nan 0.000 0.440 272 E N 0.254 120.365 120.200 -0.148 0.000 2.110 272 E HA -0.218 4.090 4.350 -0.070 0.000 0.193 272 E C 1.729 178.251 176.600 -0.131 0.000 0.988 272 E CA 1.553 57.837 56.400 -0.192 0.000 0.804 272 E CB -0.157 29.361 29.700 -0.303 0.000 0.745 272 E HN 0.431 nan 8.360 nan 0.000 0.458 273 H N -0.199 118.799 119.070 -0.121 0.000 2.321 273 H HA -0.039 4.476 4.556 -0.067 0.000 0.300 273 H C 1.610 176.915 175.328 -0.037 0.000 1.087 273 H CA 2.219 58.238 56.048 -0.048 0.000 1.319 273 H CB -0.086 29.690 29.762 0.024 0.000 1.379 273 H HN 0.122 nan 8.280 nan 0.000 0.501 274 N N 0.188 118.889 118.700 0.002 0.000 2.142 274 N HA -0.118 4.580 4.740 -0.070 0.000 0.186 274 N C 2.020 177.473 175.510 -0.095 0.000 1.023 274 N CA 1.037 54.074 53.050 -0.022 0.000 0.852 274 N CB -0.378 38.136 38.487 0.044 0.000 0.998 274 N HN 0.377 nan 8.380 nan 0.000 0.424 275 R N 0.271 120.706 120.500 -0.108 0.000 2.083 275 R HA -0.084 4.214 4.340 -0.070 0.000 0.237 275 R C 1.653 177.862 176.300 -0.151 0.000 1.137 275 R CA 1.069 57.097 56.100 -0.120 0.000 0.951 275 R CB -0.307 29.910 30.300 -0.139 0.000 0.851 275 R HN 0.073 nan 8.270 nan 0.000 0.434 276 L N 0.568 121.669 121.223 -0.203 0.000 2.046 276 L HA -0.069 4.229 4.340 -0.070 0.000 0.208 276 L C 2.424 179.163 176.870 -0.219 0.000 1.077 276 L CA 2.056 56.754 54.840 -0.237 0.000 0.747 276 L CB -1.011 40.879 42.059 -0.282 0.000 0.896 276 L HN 0.290 nan 8.230 nan 0.000 0.432 277 A N -0.108 122.558 122.820 -0.257 0.000 1.930 277 A HA -0.182 4.096 4.320 -0.070 0.000 0.217 277 A C 2.335 179.872 177.584 -0.079 0.000 1.175 277 A CA 1.458 53.385 52.037 -0.184 0.000 0.627 277 A CB -0.463 18.394 19.000 -0.238 0.000 0.815 277 A HN 0.546 nan 8.150 nan 0.000 0.443 278 R N -1.049 119.406 120.500 -0.076 0.000 2.200 278 R HA 0.023 4.321 4.340 -0.070 0.000 0.208 278 R C 1.392 177.660 176.300 -0.053 0.000 1.033 278 R CA 1.393 57.467 56.100 -0.042 0.000 1.000 278 R CB -0.203 30.079 30.300 -0.030 0.000 0.906 278 R HN 0.284 nan 8.270 nan 0.000 0.462 279 E N 1.399 121.551 120.200 -0.080 0.000 2.158 279 E HA 0.046 4.354 4.350 -0.070 0.000 0.191 279 E C 1.874 178.423 176.600 -0.085 0.000 0.982 279 E CA 0.720 57.069 56.400 -0.085 0.000 0.823 279 E CB -0.043 29.589 29.700 -0.113 0.000 0.766 279 E HN 0.374 nan 8.360 nan 0.000 0.468 280 L N -0.065 121.111 121.223 -0.078 0.000 2.270 280 L HA -0.021 4.277 4.340 -0.070 0.000 0.210 280 L C 2.129 178.954 176.870 -0.074 0.000 1.104 280 L CA 0.682 55.486 54.840 -0.059 0.000 0.804 280 L CB -0.165 41.926 42.059 0.054 0.000 0.937 280 L HN 0.011 nan 8.230 nan 0.000 0.450 281 K N 1.129 121.511 120.400 -0.029 0.000 2.211 281 K HA -0.204 4.074 4.320 -0.070 0.000 0.203 281 K C 2.001 178.568 176.600 -0.054 0.000 1.050 281 K CA 1.445 57.721 56.287 -0.018 0.000 0.945 281 K CB -0.042 32.464 32.500 0.010 0.000 0.732 281 K HN 0.070 nan 8.250 nan 0.000 0.451 282 K N -0.218 120.146 120.400 -0.059 0.000 2.103 282 K HA 0.000 4.278 4.320 -0.070 0.000 0.204 282 K C 1.797 178.353 176.600 -0.074 0.000 1.052 282 K CA 1.096 57.350 56.287 -0.054 0.000 0.945 282 K CB 0.001 32.473 32.500 -0.047 0.000 0.722 282 K HN 0.173 nan 8.250 nan 0.000 0.443 283 L N 0.559 121.714 121.223 -0.113 0.000 2.307 283 L HA 0.030 4.329 4.340 -0.070 0.000 0.211 283 L C 0.091 176.835 176.870 -0.210 0.000 1.099 283 L CA 0.308 55.069 54.840 -0.131 0.000 0.816 283 L CB 0.195 42.182 42.059 -0.119 0.000 0.952 283 L HN 0.139 nan 8.230 nan 0.000 0.455 284 N N -0.712 117.783 118.700 -0.342 0.000 2.791 284 N HA 0.188 4.886 4.740 -0.070 0.000 0.265 284 N C -2.123 173.212 175.510 -0.290 0.000 1.580 284 N CA -1.008 51.728 53.050 -0.524 0.000 0.809 284 N CB 1.146 38.678 38.487 -1.592 0.000 1.178 284 N HN -0.128 nan 8.380 nan 0.000 0.499 285 P HA -0.173 nan 4.420 nan 0.000 0.218 285 P C 1.251 178.620 177.300 0.115 0.000 1.146 285 P CA 1.360 64.488 63.100 0.047 0.000 0.813 285 P CB 0.088 31.825 31.700 0.061 0.000 0.778 286 H N -4.064 115.012 119.070 0.010 0.000 2.535 286 H HA -0.002 4.513 4.556 -0.069 0.000 0.273 286 H C 0.324 175.799 175.328 0.245 0.000 0.983 286 H CA -0.128 55.981 56.048 0.102 0.000 1.238 286 H CB -1.089 28.730 29.762 0.094 0.000 1.412 286 H HN 0.072 nan 8.280 nan 0.000 0.562 287 W N 4.745 125.808 121.300 -0.394 0.000 2.223 287 W HA 0.049 4.659 4.660 -0.084 0.000 0.334 287 W C 0.967 177.438 176.519 -0.080 0.000 1.334 287 W CA -0.630 56.570 57.345 -0.242 0.000 1.246 287 W CB 0.093 29.419 29.460 -0.223 0.000 1.184 287 W HN 0.333 nan 8.180 nan 0.000 0.563 288 N N 0.867 119.650 118.700 0.137 0.000 2.405 288 N HA 0.237 4.935 4.740 -0.070 0.000 0.269 288 N C 1.165 176.711 175.510 0.061 0.000 1.249 288 N CA 0.205 53.304 53.050 0.081 0.000 0.974 288 N CB -0.200 38.315 38.487 0.047 0.000 1.204 288 N HN 0.436 nan 8.380 nan 0.000 0.565 289 G N -0.011 108.816 108.800 0.044 0.000 2.514 289 G HA2 -0.374 3.544 3.960 -0.070 0.000 0.217 289 G HA3 -0.374 3.544 3.960 -0.070 0.000 0.217 289 G C 1.228 176.144 174.900 0.028 0.000 1.198 289 G CA 1.432 46.556 45.100 0.039 0.000 0.780 289 G HN 0.745 nan 8.290 nan 0.000 0.565 290 E N 0.639 120.833 120.200 -0.010 0.000 2.070 290 E HA -0.184 4.124 4.350 -0.070 0.000 0.197 290 E C 2.331 178.887 176.600 -0.074 0.000 1.004 290 E CA 1.789 58.172 56.400 -0.029 0.000 0.805 290 E CB -0.279 29.393 29.700 -0.045 0.000 0.744 290 E HN 0.392 nan 8.360 nan 0.000 0.451 291 K N -0.469 119.851 120.400 -0.133 0.000 2.063 291 K HA -0.105 4.173 4.320 -0.070 0.000 0.208 291 K C 1.911 178.352 176.600 -0.265 0.000 1.048 291 K CA 1.178 57.281 56.287 -0.306 0.000 0.928 291 K CB -0.403 31.818 32.500 -0.465 0.000 0.713 291 K HN 0.134 nan 8.250 nan 0.000 0.442 292 L N 0.293 121.488 121.223 -0.047 0.000 2.017 292 L HA -0.162 4.136 4.340 -0.070 0.000 0.208 292 L C 2.289 179.160 176.870 0.002 0.000 1.073 292 L CA 1.794 56.666 54.840 0.054 0.000 0.745 292 L CB -1.522 40.606 42.059 0.115 0.000 0.894 292 L HN 0.303 nan 8.230 nan 0.000 0.432 293 Y N 0.841 121.092 120.300 -0.081 0.000 2.070 293 Y HA -0.286 4.228 4.550 -0.061 0.000 0.280 293 Y C 2.722 178.518 175.900 -0.172 0.000 1.148 293 Y CA 1.794 59.881 58.100 -0.021 0.000 1.125 293 Y CB -0.163 38.270 38.460 -0.045 0.000 0.975 293 Y HN 0.226 nan 8.280 nan 0.000 0.492 294 Q N 0.145 119.699 119.800 -0.410 0.000 2.096 294 Q HA -0.229 4.069 4.340 -0.070 0.000 0.204 294 Q C 2.211 177.801 176.000 -0.684 0.000 0.982 294 Q CA 1.944 57.250 55.803 -0.828 0.000 0.850 294 Q CB -0.441 27.437 28.738 -1.433 0.000 0.901 294 Q HN 0.549 nan 8.270 nan 0.000 0.422 295 E N 0.465 120.396 120.200 -0.447 0.000 2.106 295 E HA -0.054 4.254 4.350 -0.070 0.000 0.192 295 E C 1.767 178.324 176.600 -0.073 0.000 0.984 295 E CA 1.144 57.466 56.400 -0.129 0.000 0.806 295 E CB -0.146 29.530 29.700 -0.039 0.000 0.750 295 E HN 0.325 nan 8.360 nan 0.000 0.458 296 A N 0.608 123.327 122.820 -0.169 0.000 1.897 296 A HA -0.136 4.142 4.320 -0.070 0.000 0.215 296 A C 2.197 179.719 177.584 -0.103 0.000 1.181 296 A CA 1.543 53.461 52.037 -0.200 0.000 0.620 296 A CB -0.519 18.217 19.000 -0.440 0.000 0.821 296 A HN 0.218 nan 8.150 nan 0.000 0.443 297 R N 0.057 120.422 120.500 -0.225 0.000 2.091 297 R HA -0.190 4.108 4.340 -0.070 0.000 0.238 297 R C 2.232 178.435 176.300 -0.162 0.000 1.136 297 R CA 2.057 57.917 56.100 -0.401 0.000 0.959 297 R CB -0.293 29.324 30.300 -1.137 0.000 0.856 297 R HN 0.508 nan 8.270 nan 0.000 0.437 298 K N 0.351 120.686 120.400 -0.107 0.000 2.057 298 K HA -0.128 4.151 4.320 -0.070 0.000 0.207 298 K C 2.054 178.851 176.600 0.328 0.000 1.049 298 K CA 1.683 58.031 56.287 0.102 0.000 0.931 298 K CB -0.090 32.495 32.500 0.142 0.000 0.714 298 K HN 0.247 nan 8.250 nan 0.000 0.440 299 I N 0.866 121.591 120.570 0.258 0.000 2.226 299 I HA -0.272 3.856 4.170 -0.070 0.000 0.245 299 I C 2.265 178.465 176.117 0.138 0.000 1.100 299 I CA 0.595 62.010 61.300 0.192 0.000 1.374 299 I CB -0.185 37.774 38.000 -0.068 0.000 1.057 299 I HN 0.181 nan 8.210 nan 0.000 0.413 300 L N 1.026 122.326 121.223 0.128 0.000 2.141 300 L HA -0.056 4.242 4.340 -0.070 0.000 0.209 300 L C 2.283 179.315 176.870 0.271 0.000 1.094 300 L CA 1.922 56.865 54.840 0.171 0.000 0.763 300 L CB -1.019 41.167 42.059 0.212 0.000 0.908 300 L HN 0.188 nan 8.230 nan 0.000 0.437 301 G N -1.427 107.523 108.800 0.249 0.000 2.421 301 G HA2 -0.168 3.750 3.960 -0.070 0.000 0.217 301 G HA3 -0.168 3.750 3.960 -0.070 0.000 0.217 301 G C 1.586 176.607 174.900 0.202 0.000 1.143 301 G CA 0.610 45.857 45.100 0.245 0.000 0.784 301 G HN 0.567 nan 8.290 nan 0.000 0.541 302 A N 0.480 123.411 122.820 0.184 0.000 1.930 302 A HA 0.119 4.398 4.320 -0.070 0.000 0.217 302 A C 2.108 179.602 177.584 -0.150 0.000 1.175 302 A CA 1.394 53.427 52.037 -0.006 0.000 0.627 302 A CB -0.508 18.470 19.000 -0.037 0.000 0.815 302 A HN 0.404 nan 8.150 nan 0.000 0.443 303 F N 0.812 120.692 119.950 -0.116 0.000 2.075 303 F HA -0.176 4.258 4.527 -0.155 0.000 0.297 303 F C 1.948 177.784 175.800 0.059 0.000 1.113 303 F CA 1.955 59.903 58.000 -0.087 0.000 1.218 303 F CB -0.230 38.752 39.000 -0.030 0.000 0.984 303 F HN 0.175 nan 8.300 nan 0.000 0.472 304 I N 0.285 121.053 120.570 0.330 0.000 2.226 304 I HA -0.327 3.801 4.170 -0.070 0.000 0.245 304 I C 2.377 178.681 176.117 0.312 0.000 1.100 304 I CA 1.506 63.061 61.300 0.425 0.000 1.374 304 I CB -0.660 37.589 38.000 0.415 0.000 1.057 304 I HN 0.325 nan 8.210 nan 0.000 0.413 305 Q N 0.499 120.395 119.800 0.159 0.000 2.079 305 Q HA -0.160 4.138 4.340 -0.070 0.000 0.200 305 Q C 2.384 178.438 176.000 0.090 0.000 0.974 305 Q CA 1.433 57.326 55.803 0.150 0.000 0.840 305 Q CB -0.062 28.539 28.738 -0.227 0.000 0.898 305 Q HN 0.547 nan 8.270 nan 0.000 0.430 306 I N 0.502 120.917 120.570 -0.258 0.000 2.202 306 I HA -0.256 3.872 4.170 -0.070 0.000 0.242 306 I C 2.112 178.160 176.117 -0.114 0.000 1.091 306 I CA 0.762 61.873 61.300 -0.315 0.000 1.368 306 I CB -0.206 37.400 38.000 -0.657 0.000 1.058 306 I HN 0.223 nan 8.210 nan 0.000 0.410 307 I N 0.626 121.057 120.570 -0.231 0.000 2.286 307 I HA -0.225 3.903 4.170 -0.070 0.000 0.248 307 I C 2.570 178.677 176.117 -0.016 0.000 1.115 307 I CA 1.730 62.886 61.300 -0.240 0.000 1.392 307 I CB -1.488 36.157 38.000 -0.592 0.000 1.065 307 I HN 0.257 nan 8.210 nan 0.000 0.418 308 T N 0.497 115.232 114.554 0.301 0.000 2.777 308 T HA -0.134 4.174 4.350 -0.070 0.000 0.266 308 T C 1.689 176.541 174.700 0.252 0.000 1.040 308 T CA 1.460 63.842 62.100 0.470 0.000 1.141 308 T CB -0.239 68.997 68.868 0.614 0.000 0.868 308 T HN 0.118 nan 8.240 nan 0.000 0.444 309 F N 0.139 120.209 119.950 0.200 0.000 2.656 309 F HA 0.362 4.846 4.527 -0.073 0.000 0.291 309 F C 2.405 178.290 175.800 0.141 0.000 1.122 309 F CA -0.013 58.111 58.000 0.208 0.000 1.427 309 F CB 0.127 39.383 39.000 0.426 0.000 1.125 309 F HN -0.109 nan 8.300 nan 0.000 0.583 310 R N 0.013 120.665 120.500 0.253 0.000 2.105 310 R HA -0.026 4.272 4.340 -0.070 0.000 0.214 310 R C 1.021 177.347 176.300 0.043 0.000 1.091 310 R CA 1.521 57.708 56.100 0.145 0.000 1.007 310 R CB 0.019 30.383 30.300 0.107 0.000 0.912 310 R HN 0.096 nan 8.270 nan 0.000 0.450 311 D N -1.014 119.376 120.400 -0.016 0.000 2.394 311 D HA -0.062 4.536 4.640 -0.070 0.000 0.226 311 D C 1.319 177.442 176.300 -0.294 0.000 0.990 311 D CA 0.568 54.510 54.000 -0.096 0.000 0.902 311 D CB -0.173 40.620 40.800 -0.010 0.000 1.038 311 D HN 0.162 nan 8.370 nan 0.000 0.499 312 Y N 1.728 121.744 120.300 -0.473 0.000 2.201 312 Y HA 0.101 4.609 4.550 -0.071 0.000 0.292 312 Y C 2.097 177.870 175.900 -0.212 0.000 1.119 312 Y CA 0.992 58.799 58.100 -0.488 0.000 1.127 312 Y CB -0.329 37.944 38.460 -0.312 0.000 1.019 312 Y HN -0.204 nan 8.280 nan 0.000 0.514 313 L N 0.336 121.361 121.223 -0.330 0.000 2.083 313 L HA -0.125 4.173 4.340 -0.070 0.000 0.209 313 L C -0.578 176.106 176.870 -0.310 0.000 1.083 313 L CA 1.129 55.696 54.840 -0.455 0.000 0.752 313 L CB -1.727 40.013 42.059 -0.532 0.000 0.899 313 L HN 0.200 nan 8.230 nan 0.000 0.433 314 P HA -0.181 nan 4.420 nan 0.000 0.218 314 P C 1.555 178.765 177.300 -0.151 0.000 1.148 314 P CA 1.424 64.446 63.100 -0.131 0.000 0.822 314 P CB -0.075 31.576 31.700 -0.082 0.000 0.784 315 I N -5.650 114.801 120.570 -0.199 0.000 3.793 315 I HA 0.082 4.210 4.170 -0.070 0.000 0.315 315 I C 1.065 177.084 176.117 -0.164 0.000 1.275 315 I CA 0.325 61.507 61.300 -0.196 0.000 1.214 315 I CB -0.094 37.760 38.000 -0.243 0.000 1.018 315 I HN -0.240 nan 8.210 nan 0.000 0.439 316 V N 0.412 120.211 119.914 -0.192 0.000 2.922 316 V HA 0.077 4.155 4.120 -0.070 0.000 0.242 316 V C 1.961 177.945 176.094 -0.182 0.000 1.094 316 V CA 0.646 62.849 62.300 -0.161 0.000 1.106 316 V CB 0.333 31.961 31.823 -0.325 0.000 0.799 316 V HN 0.302 nan 8.190 nan 0.000 0.474 317 L N 0.171 121.298 121.223 -0.161 0.000 2.416 317 L HA 0.451 4.749 4.340 -0.070 0.000 0.216 317 L C 1.675 178.520 176.870 -0.042 0.000 1.098 317 L CA 1.394 56.183 54.840 -0.085 0.000 0.840 317 L CB -1.317 40.724 42.059 -0.031 0.000 0.981 317 L HN 0.451 nan 8.230 nan 0.000 0.462 318 G N 0.433 109.193 108.800 -0.067 0.000 2.611 318 G HA2 -0.419 3.499 3.960 -0.070 0.000 0.301 318 G HA3 -0.419 3.499 3.960 -0.070 0.000 0.301 318 G C 1.119 176.006 174.900 -0.021 0.000 1.233 318 G CA 1.127 46.197 45.100 -0.050 0.000 0.993 318 G HN 0.414 nan 8.290 nan 0.000 0.553 319 S N 0.233 115.925 115.700 -0.013 0.000 2.507 319 S HA 0.055 4.483 4.470 -0.070 0.000 0.235 319 S C 1.577 176.182 174.600 0.010 0.000 0.988 319 S CA 1.846 60.042 58.200 -0.007 0.000 0.944 319 S CB 0.090 63.283 63.200 -0.012 0.000 0.762 319 S HN 0.598 nan 8.310 nan 0.000 0.526 320 E N 0.642 120.873 120.200 0.053 0.000 2.435 320 E HA 0.087 4.395 4.350 -0.070 0.000 0.195 320 E C 1.549 178.250 176.600 0.168 0.000 1.029 320 E CA 0.274 56.752 56.400 0.131 0.000 0.865 320 E CB -0.297 29.569 29.700 0.276 0.000 0.833 320 E HN 0.583 nan 8.360 nan 0.000 0.510 321 M N 1.325 120.986 119.600 0.101 0.000 2.110 321 M HA -0.273 4.165 4.480 -0.070 0.000 0.257 321 M C 2.007 178.352 176.300 0.075 0.000 1.071 321 M CA 1.888 57.244 55.300 0.094 0.000 1.096 321 M CB -0.232 32.384 32.600 0.027 0.000 1.300 321 M HN -0.057 nan 8.290 nan 0.000 0.411 322 Q N -0.609 119.199 119.800 0.014 0.000 2.181 322 Q HA -0.245 4.053 4.340 -0.070 0.000 0.205 322 Q C 2.153 178.096 176.000 -0.095 0.000 0.980 322 Q CA 1.819 57.611 55.803 -0.018 0.000 0.862 322 Q CB -0.315 28.404 28.738 -0.033 0.000 0.905 322 Q HN 0.619 nan 8.270 nan 0.000 0.429 323 K N -0.343 119.934 120.400 -0.206 0.000 2.148 323 K HA -0.166 4.112 4.320 -0.070 0.000 0.204 323 K C 0.983 177.166 176.600 -0.694 0.000 1.050 323 K CA 1.247 57.230 56.287 -0.508 0.000 0.942 323 K CB 0.099 32.183 32.500 -0.693 0.000 0.724 323 K HN 0.235 nan 8.250 nan 0.000 0.446 324 W N -0.171 121.141 121.300 0.019 0.000 2.901 324 W HA 0.329 4.945 4.660 -0.072 0.000 0.281 324 W C 0.082 176.636 176.519 0.058 0.000 1.167 324 W CA -0.513 56.853 57.345 0.035 0.000 1.506 324 W CB 0.772 30.264 29.460 0.054 0.000 0.985 324 W HN -0.195 nan 8.180 nan 0.000 0.590 325 I N 2.911 123.617 120.570 0.227 0.000 2.750 325 I HA 0.194 4.322 4.170 -0.070 0.000 0.279 325 I C -2.000 174.200 176.117 0.138 0.000 1.206 325 I CA -1.851 59.572 61.300 0.205 0.000 1.101 325 I CB 0.427 38.572 38.000 0.241 0.000 1.431 325 I HN -0.421 nan 8.210 nan 0.000 0.551 326 P HA 0.220 nan 4.420 nan 0.000 0.271 326 P C -2.514 174.845 177.300 0.098 0.000 1.244 326 P CA -0.986 62.149 63.100 0.059 0.000 0.793 326 P CB -0.474 31.238 31.700 0.019 0.000 0.984 327 P HA 0.018 nan 4.420 nan 0.000 0.267 327 P C -0.456 176.927 177.300 0.138 0.000 1.200 327 P CA 0.173 63.346 63.100 0.123 0.000 0.772 327 P CB -0.072 31.679 31.700 0.086 0.000 0.855 328 Y N 2.597 122.917 120.300 0.033 0.000 2.650 328 Y HA -0.054 4.457 4.550 -0.064 0.000 0.331 328 Y C 1.325 177.218 175.900 -0.012 0.000 1.165 328 Y CA 0.788 58.882 58.100 -0.009 0.000 1.473 328 Y CB 0.289 38.751 38.460 0.003 0.000 1.224 328 Y HN 0.378 nan 8.280 nan 0.000 0.533 329 Q N 4.452 123.976 119.800 -0.460 0.000 2.319 329 Q HA 0.296 4.594 4.340 -0.070 0.000 0.209 329 Q C 0.655 176.297 176.000 -0.597 0.000 0.884 329 Q CA 0.627 56.191 55.803 -0.400 0.000 0.938 329 Q CB 0.785 29.387 28.738 -0.228 0.000 1.098 329 Q HN 1.025 nan 8.270 nan 0.000 0.517 330 G N 0.908 108.958 108.800 -1.251 0.000 2.423 330 G HA2 -0.204 3.714 3.960 -0.070 0.000 0.684 330 G HA3 -0.204 3.714 3.960 -0.070 0.000 0.684 330 G C -1.563 173.119 174.900 -0.363 0.000 1.309 330 G CA -0.884 43.714 45.100 -0.837 0.000 0.950 330 G HN 0.110 nan 8.290 nan 0.000 0.587 331 Y N 1.747 121.975 120.300 -0.119 0.000 2.526 331 Y HA 0.550 5.059 4.550 -0.068 0.000 0.330 331 Y C 0.313 176.188 175.900 -0.040 0.000 1.156 331 Y CA -0.486 57.617 58.100 0.005 0.000 1.419 331 Y CB 0.929 39.409 38.460 0.033 0.000 1.250 331 Y HN 0.626 nan 8.280 nan 0.000 0.540 332 N N 5.447 123.830 118.700 -0.528 0.000 2.524 332 N HA 0.085 4.783 4.740 -0.070 0.000 0.261 332 N C 0.166 175.210 175.510 -0.777 0.000 0.998 332 N CA -0.337 52.389 53.050 -0.540 0.000 0.915 332 N CB 0.289 38.638 38.487 -0.230 0.000 1.187 332 N HN 0.942 nan 8.380 nan 0.000 0.507 333 N N 1.109 119.307 118.700 -0.837 0.000 2.520 333 N HA -0.081 4.617 4.740 -0.070 0.000 0.185 333 N C 0.227 175.639 175.510 -0.163 0.000 1.068 333 N CA 0.269 53.024 53.050 -0.492 0.000 0.911 333 N CB 0.221 38.550 38.487 -0.264 0.000 0.961 333 N HN 0.147 nan 8.380 nan 0.000 0.446 334 S N 0.256 115.865 115.700 -0.152 0.000 2.558 334 S HA 0.114 4.542 4.470 -0.070 0.000 0.217 334 S C 0.568 175.155 174.600 -0.022 0.000 0.975 334 S CA -0.285 57.877 58.200 -0.062 0.000 0.912 334 S CB 0.363 63.523 63.200 -0.067 0.000 0.776 334 S HN 0.114 nan 8.310 nan 0.000 0.526 335 V N 3.258 123.160 119.914 -0.021 0.000 2.530 335 V HA 0.165 4.243 4.120 -0.070 0.000 0.282 335 V C 0.062 176.213 176.094 0.096 0.000 1.048 335 V CA -0.800 61.520 62.300 0.033 0.000 0.997 335 V CB 1.130 32.974 31.823 0.036 0.000 0.987 335 V HN 0.188 nan 8.190 nan 0.000 0.477 336 D N 7.769 128.231 120.400 0.104 0.000 2.338 336 D HA 0.175 4.774 4.640 -0.070 0.000 0.255 336 D C -1.238 175.153 176.300 0.151 0.000 1.237 336 D CA -1.857 52.228 54.000 0.141 0.000 0.883 336 D CB 1.556 42.449 40.800 0.155 0.000 1.087 336 D HN 0.291 nan 8.370 nan 0.000 0.485 337 P HA 0.031 nan 4.420 nan 0.000 0.251 337 P C 0.056 177.325 177.300 -0.052 0.000 1.223 337 P CA -0.068 63.090 63.100 0.097 0.000 0.796 337 P CB 0.444 32.280 31.700 0.227 0.000 1.068 338 R N 0.455 120.950 120.500 -0.009 0.000 2.623 338 R HA 0.176 4.474 4.340 -0.070 0.000 0.271 338 R C 0.687 176.943 176.300 -0.074 0.000 1.043 338 R CA -0.341 55.727 56.100 -0.054 0.000 1.083 338 R CB 0.326 30.643 30.300 0.029 0.000 0.974 338 R HN 0.073 nan 8.270 nan 0.000 0.436 339 I N 2.598 123.078 120.570 -0.150 0.000 2.496 339 I HA -0.040 4.088 4.170 -0.070 0.000 0.285 339 I C 1.037 177.030 176.117 -0.207 0.000 1.080 339 I CA 0.491 61.651 61.300 -0.234 0.000 1.404 339 I CB 0.991 38.877 38.000 -0.191 0.000 1.403 339 I HN 0.725 nan 8.210 nan 0.000 0.539 340 S N 5.662 121.120 115.700 -0.403 0.000 2.617 340 S HA 0.168 4.596 4.470 -0.070 0.000 0.269 340 S C 1.054 175.478 174.600 -0.293 0.000 1.292 340 S CA -0.626 57.238 58.200 -0.560 0.000 1.010 340 S CB 1.464 63.689 63.200 -1.624 0.000 0.944 340 S HN 0.636 nan 8.310 nan 0.000 0.536 341 N N 0.667 119.270 118.700 -0.161 0.000 2.069 341 N HA -0.139 4.559 4.740 -0.070 0.000 0.191 341 N C 1.717 177.267 175.510 0.065 0.000 1.031 341 N CA 1.546 54.630 53.050 0.055 0.000 0.852 341 N CB -0.662 37.938 38.487 0.189 0.000 1.018 341 N HN 0.552 nan 8.380 nan 0.000 0.423 342 V N 0.795 120.649 119.914 -0.099 0.000 2.490 342 V HA -0.189 3.889 4.120 -0.070 0.000 0.250 342 V C 2.065 178.057 176.094 -0.170 0.000 1.061 342 V CA 1.409 63.604 62.300 -0.175 0.000 1.064 342 V CB -0.758 30.585 31.823 -0.799 0.000 0.670 342 V HN 0.275 nan 8.190 nan 0.000 0.461 343 F N 1.967 121.674 119.950 -0.405 0.000 2.126 343 F HA -0.205 4.279 4.527 -0.071 0.000 0.299 343 F C 2.646 178.372 175.800 -0.125 0.000 1.096 343 F CA 2.354 60.182 58.000 -0.287 0.000 1.255 343 F CB -0.754 38.029 39.000 -0.360 0.000 0.997 343 F HN 0.385 nan 8.300 nan 0.000 0.479 344 T N -2.343 112.138 114.554 -0.123 0.000 3.025 344 T HA -0.182 4.126 4.350 -0.070 0.000 0.270 344 T C 1.642 176.025 174.700 -0.527 0.000 1.126 344 T CA 1.423 63.340 62.100 -0.305 0.000 1.105 344 T CB -0.995 67.666 68.868 -0.344 0.000 0.884 344 T HN 0.334 nan 8.240 nan 0.000 0.522 345 F N 0.775 120.656 119.950 -0.116 0.000 2.500 345 F HA 0.548 5.034 4.527 -0.069 0.000 0.285 345 F C 2.788 178.608 175.800 0.033 0.000 1.088 345 F CA 0.044 58.019 58.000 -0.041 0.000 1.432 345 F CB -0.360 38.627 39.000 -0.023 0.000 1.131 345 F HN 0.189 nan 8.300 nan 0.000 0.582 346 A N -0.157 122.698 122.820 0.059 0.000 1.969 346 A HA -0.186 4.092 4.320 -0.070 0.000 0.218 346 A C 1.853 179.512 177.584 0.124 0.000 1.169 346 A CA 1.062 53.120 52.037 0.035 0.000 0.635 346 A CB -1.010 17.927 19.000 -0.106 0.000 0.810 346 A HN 0.371 nan 8.150 nan 0.000 0.445 347 F N 0.661 120.398 119.950 -0.355 0.000 2.748 347 F HA 0.114 4.597 4.527 -0.073 0.000 0.299 347 F C 1.753 177.342 175.800 -0.352 0.000 1.154 347 F CA 0.165 57.954 58.000 -0.353 0.000 1.446 347 F CB -0.423 38.136 39.000 -0.735 0.000 1.112 347 F HN 0.186 nan 8.300 nan 0.000 0.584 348 R N -0.130 120.338 120.500 -0.053 0.000 2.325 348 R HA -0.073 4.225 4.340 -0.070 0.000 0.214 348 R C 1.797 178.077 176.300 -0.034 0.000 0.961 348 R CA 0.237 56.172 56.100 -0.275 0.000 1.086 348 R CB -0.688 29.520 30.300 -0.153 0.000 1.037 348 R HN 0.370 nan 8.270 nan 0.000 0.493 349 F N -1.792 118.209 119.950 0.085 0.000 2.333 349 F HA 0.090 4.574 4.527 -0.072 0.000 0.300 349 F C 1.840 177.691 175.800 0.085 0.000 1.083 349 F CA 0.735 58.785 58.000 0.082 0.000 1.395 349 F CB -0.786 38.254 39.000 0.067 0.000 1.056 349 F HN -0.141 nan 8.300 nan 0.000 0.529 350 G N -0.075 108.245 108.800 -0.800 0.000 2.448 350 G HA2 -0.239 3.679 3.960 -0.070 0.000 0.219 350 G HA3 -0.239 3.679 3.960 -0.070 0.000 0.219 350 G C 1.253 176.122 174.900 -0.050 0.000 1.127 350 G CA 0.986 45.761 45.100 -0.541 0.000 0.766 350 G HN 0.621 nan 8.290 nan 0.000 0.552 351 H N -0.257 118.831 119.070 0.030 0.000 2.489 351 H HA 0.061 4.575 4.556 -0.070 0.000 0.293 351 H C 2.280 177.732 175.328 0.207 0.000 1.066 351 H CA 0.754 56.887 56.048 0.141 0.000 1.305 351 H CB 0.014 29.921 29.762 0.242 0.000 1.386 351 H HN 0.352 nan 8.280 nan 0.000 0.551 352 M N 0.145 119.944 119.600 0.333 0.000 2.561 352 M HA -0.001 4.437 4.480 -0.070 0.000 0.238 352 M C 0.621 177.062 176.300 0.235 0.000 1.131 352 M CA 0.845 56.309 55.300 0.274 0.000 1.046 352 M CB 0.386 33.114 32.600 0.213 0.000 1.532 352 M HN 0.287 nan 8.290 nan 0.000 0.497 353 E N 0.309 120.644 120.200 0.225 0.000 2.498 353 E HA 0.136 4.444 4.350 -0.070 0.000 0.203 353 E C -0.203 176.513 176.600 0.193 0.000 1.013 353 E CA -0.142 56.391 56.400 0.222 0.000 0.927 353 E CB 0.931 30.774 29.700 0.237 0.000 1.012 353 E HN 0.167 nan 8.360 nan 0.000 0.482 354 V N 4.549 124.576 119.914 0.189 0.000 2.432 354 V HA 0.178 4.257 4.120 -0.070 0.000 0.275 354 V C -1.835 174.365 176.094 0.177 0.000 1.043 354 V CA -1.549 60.852 62.300 0.168 0.000 0.925 354 V CB 0.789 32.712 31.823 0.167 0.000 0.985 354 V HN 0.055 nan 8.190 nan 0.000 0.466 355 P HA 0.219 nan 4.420 nan 0.000 0.278 355 P C 0.584 177.959 177.300 0.125 0.000 1.266 355 P CA -0.483 62.705 63.100 0.147 0.000 0.807 355 P CB 1.249 33.025 31.700 0.126 0.000 1.094 356 S N -1.531 114.240 115.700 0.119 0.000 2.522 356 S HA 0.041 4.469 4.470 -0.070 0.000 0.227 356 S C 0.905 175.536 174.600 0.052 0.000 0.986 356 S CA 0.554 58.809 58.200 0.090 0.000 0.929 356 S CB -1.056 62.197 63.200 0.089 0.000 0.769 356 S HN 0.761 nan 8.310 nan 0.000 0.529 357 T N -1.395 113.186 114.554 0.047 0.000 2.896 357 T HA 0.723 5.031 4.350 -0.070 0.000 0.297 357 T C -1.050 173.657 174.700 0.011 0.000 1.108 357 T CA -0.800 61.309 62.100 0.016 0.000 1.004 357 T CB 1.886 70.768 68.868 0.025 0.000 1.159 357 T HN -0.025 nan 8.240 nan 0.000 0.499 358 V N 1.963 121.866 119.914 -0.018 0.000 2.540 358 V HA 0.681 4.759 4.120 -0.070 0.000 0.302 358 V C -0.115 175.968 176.094 -0.017 0.000 1.035 358 V CA -0.646 61.642 62.300 -0.020 0.000 0.873 358 V CB 1.947 33.739 31.823 -0.053 0.000 0.992 358 V HN 1.134 nan 8.190 nan 0.000 0.428 359 S N 3.726 119.425 115.700 -0.002 0.000 2.578 359 S HA 0.769 5.197 4.470 -0.070 0.000 0.301 359 S C -0.532 174.056 174.600 -0.020 0.000 1.091 359 S CA -0.854 57.350 58.200 0.006 0.000 1.032 359 S CB 1.735 64.954 63.200 0.031 0.000 1.064 359 S HN 0.676 nan 8.310 nan 0.000 0.508 360 R N 1.242 121.739 120.500 -0.005 0.000 2.437 360 R HA 0.645 4.943 4.340 -0.070 0.000 0.310 360 R C -1.130 175.170 176.300 -0.000 0.000 0.955 360 R CA -0.248 55.807 56.100 -0.075 0.000 0.851 360 R CB 0.835 31.078 30.300 -0.094 0.000 1.161 360 R HN 0.459 nan 8.270 nan 0.000 0.446 361 L N 2.263 123.412 121.223 -0.124 0.000 2.342 361 L HA 0.494 4.792 4.340 -0.070 0.000 0.271 361 L C -0.090 176.687 176.870 -0.154 0.000 1.008 361 L CA -1.185 53.597 54.840 -0.097 0.000 0.818 361 L CB 1.794 43.736 42.059 -0.196 0.000 1.296 361 L HN 0.680 nan 8.230 nan 0.000 0.427 362 D N -0.034 120.390 120.400 0.040 0.000 2.433 362 D HA 0.041 4.639 4.640 -0.070 0.000 0.255 362 D C 0.679 176.889 176.300 -0.149 0.000 1.226 362 D CA -0.422 53.651 54.000 0.123 0.000 1.015 362 D CB 0.536 41.495 40.800 0.266 0.000 1.091 362 D HN 0.543 nan 8.370 nan 0.000 0.527 363 E N -0.850 119.304 120.200 -0.078 0.000 2.273 363 E HA -0.210 4.098 4.350 -0.070 0.000 0.198 363 E C 0.664 177.199 176.600 -0.109 0.000 1.002 363 E CA 1.088 57.412 56.400 -0.126 0.000 0.828 363 E CB -0.509 29.173 29.700 -0.030 0.000 0.747 363 E HN 0.495 nan 8.360 nan 0.000 0.491 364 N N -0.703 117.959 118.700 -0.064 0.000 2.230 364 N HA 0.063 4.761 4.740 -0.070 0.000 0.202 364 N C -0.738 174.699 175.510 -0.123 0.000 1.119 364 N CA -0.148 52.912 53.050 0.017 0.000 0.851 364 N CB 0.364 38.916 38.487 0.107 0.000 0.990 364 N HN 0.097 nan 8.380 nan 0.000 0.497 365 Y N -0.070 119.984 120.300 -0.410 0.000 4.366 365 Y HA -0.261 4.245 4.550 -0.072 0.000 0.236 365 Y C -0.060 175.729 175.900 -0.185 0.000 1.142 365 Y CA 0.245 58.084 58.100 -0.436 0.000 2.024 365 Y CB -1.742 36.160 38.460 -0.930 0.000 1.621 365 Y HN 0.233 nan 8.280 nan 0.000 0.694 366 Q N -0.039 119.761 119.800 0.001 0.000 2.204 366 Q HA 0.447 4.745 4.340 -0.070 0.000 0.254 366 Q C -2.193 173.842 176.000 0.059 0.000 0.981 366 Q CA -2.052 53.779 55.803 0.046 0.000 0.897 366 Q CB 0.703 29.474 28.738 0.054 0.000 1.273 366 Q HN -0.086 nan 8.270 nan 0.000 0.464 367 P HA -0.124 nan 4.420 nan 0.000 0.263 367 P C -0.888 176.493 177.300 0.134 0.000 1.175 367 P CA 0.575 63.728 63.100 0.089 0.000 0.761 367 P CB 0.246 31.981 31.700 0.058 0.000 0.794 368 W N 5.294 126.570 121.300 -0.040 0.000 2.309 368 W HA 0.505 5.125 4.660 -0.067 0.000 0.332 368 W C 0.385 176.890 176.519 -0.023 0.000 0.962 368 W CA 0.907 58.228 57.345 -0.040 0.000 1.497 368 W CB 0.077 29.503 29.460 -0.057 0.000 1.308 368 W HN 0.788 nan 8.180 nan 0.000 0.384 369 G N 5.268 113.902 108.800 -0.276 0.000 2.610 369 G HA2 -0.226 3.692 3.960 -0.070 0.000 0.304 369 G HA3 -0.226 3.692 3.960 -0.070 0.000 0.304 369 G C -1.704 173.131 174.900 -0.108 0.000 1.309 369 G CA -0.358 44.564 45.100 -0.296 0.000 0.906 369 G HN 0.312 nan 8.290 nan 0.000 0.521 370 P HA 0.158 nan 4.420 nan 0.000 0.228 370 P C 0.474 177.771 177.300 -0.005 0.000 1.166 370 P CA 1.098 64.175 63.100 -0.037 0.000 0.812 370 P CB 0.308 31.984 31.700 -0.040 0.000 0.857 371 E N -0.043 120.162 120.200 0.009 0.000 3.269 371 E HA 0.412 4.720 4.350 -0.070 0.000 0.221 371 E C 0.893 177.528 176.600 0.059 0.000 1.113 371 E CA -0.368 56.050 56.400 0.030 0.000 1.385 371 E CB 0.621 30.340 29.700 0.032 0.000 1.345 371 E HN 0.088 nan 8.360 nan 0.000 0.435 372 A N 1.437 124.300 122.820 0.073 0.000 1.930 372 A HA -0.138 4.140 4.320 -0.070 0.000 0.217 372 A C 1.218 178.842 177.584 0.067 0.000 1.175 372 A CA 0.859 52.965 52.037 0.116 0.000 0.627 372 A CB 0.015 19.091 19.000 0.126 0.000 0.815 372 A HN 0.359 nan 8.150 nan 0.000 0.443 373 E N 0.095 120.320 120.200 0.041 0.000 2.115 373 E HA 0.541 4.849 4.350 -0.070 0.000 0.282 373 E C -1.251 175.349 176.600 -0.000 0.000 0.987 373 E CA -0.385 56.028 56.400 0.021 0.000 0.797 373 E CB 0.420 30.137 29.700 0.028 0.000 1.086 373 E HN 0.398 nan 8.360 nan 0.000 0.397 374 L N 5.422 126.630 121.223 -0.027 0.000 2.333 374 L HA 0.561 4.859 4.340 -0.070 0.000 0.269 374 L C -2.284 174.537 176.870 -0.081 0.000 1.010 374 L CA -2.659 52.143 54.840 -0.063 0.000 0.818 374 L CB 1.947 43.944 42.059 -0.103 0.000 1.306 374 L HN 0.508 nan 8.230 nan 0.000 0.430 375 P HA 0.073 nan 4.420 nan 0.000 0.276 375 P C 0.724 177.904 177.300 -0.200 0.000 1.230 375 P CA -0.329 62.713 63.100 -0.095 0.000 0.776 375 P CB 0.865 32.528 31.700 -0.062 0.000 0.888 376 L N 4.111 125.249 121.223 -0.142 0.000 2.051 376 L HA -0.250 4.048 4.340 -0.070 0.000 0.214 376 L C 2.244 178.748 176.870 -0.610 0.000 1.076 376 L CA 2.127 56.806 54.840 -0.269 0.000 0.758 376 L CB -0.748 41.239 42.059 -0.121 0.000 0.890 376 L HN 0.675 nan 8.230 nan 0.000 0.433 377 H N -1.163 117.619 119.070 -0.480 0.000 2.489 377 H HA -0.132 4.382 4.556 -0.070 0.000 0.295 377 H C 1.694 176.829 175.328 -0.323 0.000 1.082 377 H CA 1.599 57.325 56.048 -0.537 0.000 1.295 377 H CB -0.637 29.165 29.762 0.067 0.000 1.380 377 H HN 0.485 nan 8.280 nan 0.000 0.548 378 T N -1.183 112.921 114.554 -0.749 0.000 3.148 378 T HA 0.149 4.457 4.350 -0.070 0.000 0.253 378 T C 1.759 176.291 174.700 -0.281 0.000 1.134 378 T CA 0.057 61.862 62.100 -0.492 0.000 1.051 378 T CB -0.313 68.288 68.868 -0.446 0.000 0.959 378 T HN 0.339 nan 8.240 nan 0.000 0.525 379 L N -0.261 120.741 121.223 -0.368 0.000 2.693 379 L HA 0.450 4.748 4.340 -0.070 0.000 0.235 379 L C -0.308 176.492 176.870 -0.117 0.000 1.127 379 L CA -0.607 54.079 54.840 -0.256 0.000 0.914 379 L CB -0.042 41.862 42.059 -0.260 0.000 1.193 379 L HN 0.141 nan 8.230 nan 0.000 0.502 380 F N 0.402 120.380 119.950 0.048 0.000 2.504 380 F HA 0.179 4.664 4.527 -0.071 0.000 0.369 380 F C 0.701 176.540 175.800 0.064 0.000 1.082 380 F CA -0.796 57.217 58.000 0.021 0.000 1.216 380 F CB -0.349 38.775 39.000 0.208 0.000 1.108 380 F HN -0.043 nan 8.300 nan 0.000 0.554 381 F N 0.620 120.701 119.950 0.218 0.000 3.093 381 F HA -0.320 4.165 4.527 -0.069 0.000 0.287 381 F C 0.558 176.382 175.800 0.039 0.000 0.882 381 F CA 0.223 58.287 58.000 0.106 0.000 1.063 381 F CB -1.429 37.632 39.000 0.102 0.000 1.097 381 F HN 0.482 nan 8.300 nan 0.000 0.604 382 N N 0.693 119.453 118.700 0.100 0.000 2.485 382 N HA 0.280 4.978 4.740 -0.070 0.000 0.243 382 N C 0.960 176.442 175.510 -0.046 0.000 0.987 382 N CA 0.705 53.757 53.050 0.003 0.000 0.940 382 N CB 1.112 39.515 38.487 -0.140 0.000 1.122 382 N HN 0.270 nan 8.380 nan 0.000 0.509 383 T N -0.163 114.377 114.554 -0.024 0.000 2.990 383 T HA 0.023 4.331 4.350 -0.070 0.000 0.249 383 T C 1.803 176.492 174.700 -0.018 0.000 1.039 383 T CA -0.438 61.618 62.100 -0.073 0.000 1.036 383 T CB -0.329 68.327 68.868 -0.354 0.000 0.994 383 T HN 0.656 nan 8.240 nan 0.000 0.489 384 W N 2.491 123.752 121.300 -0.065 0.000 2.374 384 W HA 0.023 4.642 4.660 -0.069 0.000 0.288 384 W C 1.451 177.966 176.519 -0.007 0.000 1.218 384 W CA 0.090 57.407 57.345 -0.047 0.000 1.245 384 W CB -0.640 28.785 29.460 -0.057 0.000 1.126 384 W HN 0.060 nan 8.180 nan 0.000 0.545 385 R N 1.019 121.106 120.500 -0.689 0.000 2.189 385 R HA -0.051 4.248 4.340 -0.070 0.000 0.223 385 R C 2.073 178.234 176.300 -0.231 0.000 1.092 385 R CA 1.249 56.917 56.100 -0.719 0.000 0.989 385 R CB -0.564 29.251 30.300 -0.807 0.000 0.876 385 R HN 0.423 nan 8.270 nan 0.000 0.457 386 I N -0.120 120.379 120.570 -0.118 0.000 2.270 386 I HA -0.189 3.939 4.170 -0.070 0.000 0.239 386 I C 1.849 177.973 176.117 0.012 0.000 1.080 386 I CA 0.795 62.080 61.300 -0.025 0.000 1.383 386 I CB -0.234 37.791 38.000 0.043 0.000 1.097 386 I HN -0.063 nan 8.210 nan 0.000 0.420 387 I N 0.833 121.389 120.570 -0.022 0.000 2.286 387 I HA -0.239 3.889 4.170 -0.070 0.000 0.248 387 I C 1.922 178.126 176.117 0.146 0.000 1.115 387 I CA 1.774 63.063 61.300 -0.017 0.000 1.392 387 I CB -0.356 37.663 38.000 0.031 0.000 1.065 387 I HN 0.086 nan 8.210 nan 0.000 0.418 388 K N -0.877 119.648 120.400 0.207 0.000 2.374 388 K HA 0.105 4.383 4.320 -0.070 0.000 0.202 388 K C 0.219 176.989 176.600 0.284 0.000 1.040 388 K CA 0.166 56.612 56.287 0.266 0.000 1.085 388 K CB 0.574 33.288 32.500 0.357 0.000 0.873 388 K HN -0.010 nan 8.250 nan 0.000 0.539 389 D N -0.206 120.326 120.400 0.219 0.000 2.720 389 D HA 0.178 4.776 4.640 -0.070 0.000 0.285 389 D C 0.368 176.845 176.300 0.294 0.000 1.359 389 D CA 0.182 54.347 54.000 0.275 0.000 0.818 389 D CB 0.863 41.750 40.800 0.144 0.000 1.108 389 D HN 0.258 nan 8.370 nan 0.000 0.474 390 G N -0.666 108.277 108.800 0.239 0.000 2.205 390 G HA2 0.142 4.060 3.960 -0.070 0.000 0.180 390 G HA3 0.142 4.060 3.960 -0.070 0.000 0.180 390 G C 0.895 175.808 174.900 0.020 0.000 1.004 390 G CA 0.104 45.272 45.100 0.114 0.000 0.670 390 G HN 0.904 nan 8.290 nan 0.000 0.496 391 G N -0.031 108.835 108.800 0.110 0.000 2.598 391 G HA2 -0.053 3.865 3.960 -0.070 0.000 0.244 391 G HA3 -0.053 3.865 3.960 -0.070 0.000 0.244 391 G C 1.044 175.952 174.900 0.013 0.000 1.302 391 G CA 0.810 46.017 45.100 0.177 0.000 0.903 391 G HN 1.702 nan 8.290 nan 0.000 0.575 392 I N -2.986 117.594 120.570 0.017 0.000 3.783 392 I HA 0.329 4.457 4.170 -0.070 0.000 0.310 392 I C 1.522 177.561 176.117 -0.130 0.000 1.274 392 I CA 1.234 62.503 61.300 -0.051 0.000 1.294 392 I CB 0.063 38.050 38.000 -0.021 0.000 1.051 392 I HN 0.258 nan 8.210 nan 0.000 0.435 393 D N 2.667 122.970 120.400 -0.162 0.000 2.144 393 D HA -0.047 4.551 4.640 -0.070 0.000 0.200 393 D C -0.438 175.688 176.300 -0.290 0.000 0.978 393 D CA 1.422 55.302 54.000 -0.200 0.000 0.833 393 D CB -1.189 39.499 40.800 -0.187 0.000 0.961 393 D HN 0.324 nan 8.370 nan 0.000 0.470 394 P HA -0.024 nan 4.420 nan 0.000 0.217 394 P C 1.512 178.614 177.300 -0.330 0.000 1.151 394 P CA 0.749 63.525 63.100 -0.540 0.000 0.828 394 P CB 0.121 31.208 31.700 -1.021 0.000 0.788 395 L N -1.430 119.641 121.223 -0.254 0.000 2.072 395 L HA -0.106 4.192 4.340 -0.070 0.000 0.205 395 L C 2.307 179.128 176.870 -0.082 0.000 1.079 395 L CA 1.094 55.847 54.840 -0.146 0.000 0.752 395 L CB -1.053 40.937 42.059 -0.116 0.000 0.906 395 L HN -0.165 nan 8.230 nan 0.000 0.436 396 V N -0.099 119.767 119.914 -0.080 0.000 2.407 396 V HA -0.257 3.821 4.120 -0.070 0.000 0.248 396 V C 2.609 178.714 176.094 0.017 0.000 1.055 396 V CA 1.656 63.950 62.300 -0.011 0.000 1.049 396 V CB -0.653 31.159 31.823 -0.018 0.000 0.662 396 V HN 0.408 nan 8.190 nan 0.000 0.455 397 R N 0.169 120.625 120.500 -0.073 0.000 2.096 397 R HA -0.089 4.209 4.340 -0.070 0.000 0.235 397 R C 2.492 178.843 176.300 0.085 0.000 1.127 397 R CA 1.390 57.459 56.100 -0.051 0.000 0.968 397 R CB -0.789 29.200 30.300 -0.519 0.000 0.861 397 R HN 0.589 nan 8.270 nan 0.000 0.440 398 G N 1.278 110.079 108.800 0.003 0.000 2.418 398 G HA2 -0.226 3.692 3.960 -0.070 0.000 0.217 398 G HA3 -0.226 3.692 3.960 -0.070 0.000 0.217 398 G C 1.457 176.412 174.900 0.091 0.000 1.158 398 G CA 0.339 45.467 45.100 0.047 0.000 0.771 398 G HN 0.133 nan 8.290 nan 0.000 0.545 399 L N -0.283 120.986 121.223 0.078 0.000 2.079 399 L HA -0.039 4.259 4.340 -0.070 0.000 0.210 399 L C 2.836 179.773 176.870 0.112 0.000 1.081 399 L CA 0.705 55.596 54.840 0.084 0.000 0.752 399 L CB -0.215 41.887 42.059 0.073 0.000 0.896 399 L HN 0.234 nan 8.230 nan 0.000 0.433 400 L N -1.305 120.024 121.223 0.177 0.000 2.162 400 L HA -0.018 4.280 4.340 -0.070 0.000 0.205 400 L C 2.521 179.574 176.870 0.305 0.000 1.086 400 L CA 0.866 55.842 54.840 0.227 0.000 0.778 400 L CB -0.427 41.841 42.059 0.348 0.000 0.928 400 L HN 0.145 nan 8.230 nan 0.000 0.446 401 A N -1.336 121.687 122.820 0.338 0.000 2.147 401 A HA 0.100 4.378 4.320 -0.070 0.000 0.211 401 A C 0.991 178.690 177.584 0.192 0.000 1.160 401 A CA 0.322 52.536 52.037 0.295 0.000 0.781 401 A CB 0.123 19.285 19.000 0.270 0.000 0.842 401 A HN -0.002 nan 8.150 nan 0.000 0.475 402 K N 0.660 121.155 120.400 0.159 0.000 2.132 402 K HA 0.504 4.782 4.320 -0.070 0.000 0.241 402 K C -0.554 176.123 176.600 0.128 0.000 1.000 402 K CA -0.273 56.090 56.287 0.126 0.000 0.911 402 K CB 0.923 33.485 32.500 0.104 0.000 1.093 402 K HN 0.192 nan 8.250 nan 0.000 0.460 403 K N 0.350 120.822 120.400 0.120 0.000 2.139 403 K HA 0.364 4.642 4.320 -0.070 0.000 0.243 403 K C 0.065 176.752 176.600 0.145 0.000 0.983 403 K CA -0.576 55.788 56.287 0.127 0.000 0.890 403 K CB 1.453 34.017 32.500 0.107 0.000 1.090 403 K HN 0.397 nan 8.250 nan 0.000 0.445 404 S N 0.682 116.491 115.700 0.182 0.000 2.655 404 S HA 0.127 4.555 4.470 -0.070 0.000 0.265 404 S C -0.204 174.505 174.600 0.182 0.000 1.240 404 S CA -0.582 57.748 58.200 0.217 0.000 0.986 404 S CB 0.682 64.090 63.200 0.346 0.000 0.985 404 S HN 0.421 nan 8.310 nan 0.000 0.562 405 K N 0.777 121.290 120.400 0.188 0.000 2.174 405 K HA 0.403 4.681 4.320 -0.070 0.000 0.275 405 K C -0.933 175.768 176.600 0.168 0.000 1.015 405 K CA -0.578 55.807 56.287 0.163 0.000 0.933 405 K CB 0.522 33.127 32.500 0.175 0.000 1.025 405 K HN 0.390 nan 8.250 nan 0.000 0.463 406 L N 4.407 125.701 121.223 0.118 0.000 2.312 406 L HA 0.273 4.572 4.340 -0.070 0.000 0.281 406 L C -0.146 176.773 176.870 0.082 0.000 1.070 406 L CA -0.347 54.554 54.840 0.102 0.000 0.805 406 L CB 1.283 43.376 42.059 0.056 0.000 1.174 406 L HN 0.737 nan 8.230 nan 0.000 0.434 407 M N 5.183 124.843 119.600 0.099 0.000 2.238 407 M HA 0.133 4.572 4.480 -0.070 0.000 0.350 407 M C -0.829 175.479 176.300 0.012 0.000 1.321 407 M CA 0.686 56.029 55.300 0.071 0.000 1.097 407 M CB -0.168 32.485 32.600 0.088 0.000 1.713 407 M HN 0.739 nan 8.290 nan 0.000 0.455 408 N N 3.535 122.219 118.700 -0.027 0.000 2.310 408 N HA 0.209 4.907 4.740 -0.070 0.000 0.292 408 N C -0.022 175.450 175.510 -0.064 0.000 1.049 408 N CA -0.221 52.792 53.050 -0.061 0.000 0.849 408 N CB 1.495 39.912 38.487 -0.117 0.000 1.532 408 N HN 0.668 nan 8.380 nan 0.000 0.479 409 Q N 0.591 120.361 119.800 -0.050 0.000 2.226 409 Q HA -0.091 4.207 4.340 -0.070 0.000 0.204 409 Q C 0.014 175.989 176.000 -0.040 0.000 0.975 409 Q CA 1.372 57.148 55.803 -0.045 0.000 0.866 409 Q CB 0.315 29.030 28.738 -0.038 0.000 0.915 409 Q HN 0.572 nan 8.270 nan 0.000 0.440 410 D N -0.065 120.301 120.400 -0.056 0.000 2.346 410 D HA 0.030 4.628 4.640 -0.070 0.000 0.206 410 D C 0.031 176.276 176.300 -0.091 0.000 1.001 410 D CA 0.631 54.603 54.000 -0.046 0.000 0.871 410 D CB 0.397 41.171 40.800 -0.043 0.000 0.943 410 D HN 0.088 nan 8.370 nan 0.000 0.518 411 K N 0.543 120.812 120.400 -0.217 0.000 2.827 411 K HA 0.359 4.637 4.320 -0.070 0.000 0.186 411 K C 0.602 177.026 176.600 -0.292 0.000 1.093 411 K CA -0.071 55.862 56.287 -0.591 0.000 0.993 411 K CB 1.486 33.278 32.500 -1.180 0.000 1.199 411 K HN -0.151 nan 8.250 nan 0.000 0.598 412 M N 0.022 119.651 119.600 0.049 0.000 2.191 412 M HA 0.053 4.491 4.480 -0.070 0.000 0.262 412 M C 0.458 176.925 176.300 0.279 0.000 1.083 412 M CA 0.981 56.360 55.300 0.132 0.000 1.154 412 M CB 0.447 33.109 32.600 0.103 0.000 1.344 412 M HN 0.040 nan 8.290 nan 0.000 0.431 413 V N 0.120 120.278 119.914 0.407 0.000 2.638 413 V HA 0.206 4.284 4.120 -0.070 0.000 0.306 413 V C -0.119 176.184 176.094 0.347 0.000 1.052 413 V CA -0.901 61.629 62.300 0.383 0.000 0.885 413 V CB 1.778 33.815 31.823 0.357 0.000 0.999 413 V HN 0.225 nan 8.190 nan 0.000 0.424 414 T N 2.526 117.251 114.554 0.284 0.000 2.932 414 T HA 0.039 4.347 4.350 -0.070 0.000 0.312 414 T C 1.416 176.114 174.700 -0.004 0.000 1.071 414 T CA 0.495 62.639 62.100 0.074 0.000 1.128 414 T CB 0.879 69.842 68.868 0.159 0.000 0.984 414 T HN 0.788 nan 8.240 nan 0.000 0.549 415 S N 2.975 118.593 115.700 -0.137 0.000 2.440 415 S HA -0.082 4.346 4.470 -0.070 0.000 0.238 415 S C 1.908 176.528 174.600 0.034 0.000 1.010 415 S CA 0.674 58.834 58.200 -0.067 0.000 0.972 415 S CB -0.169 62.960 63.200 -0.118 0.000 0.774 415 S HN 0.695 nan 8.310 nan 0.000 0.501 416 E N 0.975 121.225 120.200 0.084 0.000 2.153 416 E HA -0.034 4.274 4.350 -0.070 0.000 0.194 416 E C 1.763 178.556 176.600 0.322 0.000 0.988 416 E CA 0.793 57.306 56.400 0.188 0.000 0.811 416 E CB -0.154 29.652 29.700 0.177 0.000 0.746 416 E HN 0.496 nan 8.360 nan 0.000 0.466 417 L N -0.670 120.700 121.223 0.246 0.000 2.425 417 L HA 0.159 4.457 4.340 -0.070 0.000 0.215 417 L C 2.505 179.455 176.870 0.134 0.000 1.065 417 L CA 0.091 55.062 54.840 0.219 0.000 0.842 417 L CB 0.030 42.181 42.059 0.153 0.000 1.033 417 L HN -0.074 nan 8.230 nan 0.000 0.474 418 R N -0.061 120.507 120.500 0.114 0.000 2.200 418 R HA 0.006 4.304 4.340 -0.070 0.000 0.208 418 R C 1.233 177.574 176.300 0.069 0.000 1.033 418 R CA 0.826 56.980 56.100 0.090 0.000 1.000 418 R CB 0.315 30.663 30.300 0.080 0.000 0.906 418 R HN 0.346 nan 8.270 nan 0.000 0.462 419 N N -0.847 117.891 118.700 0.063 0.000 2.266 419 N HA 0.051 4.749 4.740 -0.070 0.000 0.217 419 N C -0.065 175.483 175.510 0.064 0.000 1.211 419 N CA 0.302 53.370 53.050 0.031 0.000 0.881 419 N CB 0.862 39.335 38.487 -0.024 0.000 1.153 419 N HN 0.036 nan 8.380 nan 0.000 0.489 420 K N 0.921 121.399 120.400 0.130 0.000 2.618 420 K HA 0.225 4.503 4.320 -0.070 0.000 0.207 420 K C -0.180 176.707 176.600 0.478 0.000 1.058 420 K CA -0.411 56.010 56.287 0.223 0.000 1.086 420 K CB 0.910 33.420 32.500 0.016 0.000 0.827 420 K HN -0.067 nan 8.250 nan 0.000 0.481 421 L N 1.375 122.804 121.223 0.343 0.000 2.453 421 L HA 0.189 4.487 4.340 -0.070 0.000 0.272 421 L C -0.488 176.540 176.870 0.263 0.000 1.182 421 L CA 0.063 55.003 54.840 0.168 0.000 0.858 421 L CB 0.086 42.145 42.059 -0.000 0.000 1.120 421 L HN 0.053 nan 8.230 nan 0.000 0.474 422 F N 4.708 124.622 119.950 -0.060 0.000 2.415 422 F HA 0.430 4.915 4.527 -0.070 0.000 0.348 422 F C -0.203 175.574 175.800 -0.038 0.000 1.119 422 F CA -0.407 57.591 58.000 -0.004 0.000 1.069 422 F CB 0.851 39.804 39.000 -0.078 0.000 1.124 422 F HN 0.450 nan 8.300 nan 0.000 0.472 423 Q N 8.170 127.568 119.800 -0.670 0.000 2.271 423 Q HA 0.236 4.534 4.340 -0.070 0.000 0.258 423 Q C -1.787 173.767 176.000 -0.742 0.000 0.936 423 Q CA -1.945 53.503 55.803 -0.591 0.000 0.909 423 Q CB 1.859 30.090 28.738 -0.846 0.000 1.253 423 Q HN 0.462 nan 8.270 nan 0.000 0.440 424 P HA -0.180 nan 4.420 nan 0.000 0.218 424 P C 0.744 177.734 177.300 -0.517 0.000 1.146 424 P CA 1.493 64.185 63.100 -0.680 0.000 0.820 424 P CB 0.389 31.711 31.700 -0.629 0.000 0.778 425 T N -1.761 112.517 114.554 -0.459 0.000 3.054 425 T HA 0.039 4.347 4.350 -0.070 0.000 0.259 425 T C 0.906 175.185 174.700 -0.703 0.000 1.092 425 T CA 0.544 62.335 62.100 -0.515 0.000 1.121 425 T CB -0.226 68.355 68.868 -0.479 0.000 0.912 425 T HN 0.313 nan 8.240 nan 0.000 0.489 426 H N 0.499 119.302 119.070 -0.446 0.000 2.771 426 H HA 0.406 4.920 4.556 -0.070 0.000 0.344 426 H C 0.345 175.358 175.328 -0.525 0.000 1.260 426 H CA -0.689 55.165 56.048 -0.323 0.000 1.276 426 H CB 1.458 31.200 29.762 -0.033 0.000 1.881 426 H HN 0.094 nan 8.280 nan 0.000 0.615 427 K N 0.786 121.097 120.400 -0.148 0.000 2.414 427 K HA 0.280 4.558 4.320 -0.070 0.000 0.204 427 K C 0.517 177.308 176.600 0.319 0.000 1.026 427 K CA 0.150 56.370 56.287 -0.112 0.000 1.108 427 K CB 0.471 32.916 32.500 -0.092 0.000 0.855 427 K HN 0.364 nan 8.250 nan 0.000 0.517 428 I N -1.795 118.903 120.570 0.213 0.000 2.648 428 I HA 0.374 4.502 4.170 -0.070 0.000 0.304 428 I C -0.684 175.665 176.117 0.387 0.000 1.009 428 I CA -1.202 60.291 61.300 0.322 0.000 1.114 428 I CB 1.126 39.213 38.000 0.145 0.000 1.293 428 I HN -0.097 nan 8.210 nan 0.000 0.449 429 H N 3.581 122.918 119.070 0.444 0.000 2.745 429 H HA 0.483 4.996 4.556 -0.070 0.000 0.235 429 H C 0.643 176.119 175.328 0.248 0.000 1.815 429 H CA -0.001 56.341 56.048 0.489 0.000 1.321 429 H CB 0.539 30.595 29.762 0.489 0.000 1.716 429 H HN 0.891 nan 8.280 nan 0.000 0.546 430 G N 1.083 110.011 108.800 0.212 0.000 4.658 430 G HA2 0.110 4.028 3.960 -0.070 0.000 0.279 430 G HA3 0.110 4.028 3.960 -0.070 0.000 0.279 430 G C -0.489 174.328 174.900 -0.139 0.000 0.997 430 G CA -0.202 44.906 45.100 0.013 0.000 0.765 430 G HN 0.200 nan 8.290 nan 0.000 0.442 431 F N 0.401 120.376 119.950 0.043 0.000 2.411 431 F HA 0.559 5.045 4.527 -0.069 0.000 0.324 431 F C 0.007 175.818 175.800 0.019 0.000 1.086 431 F CA -0.784 57.220 58.000 0.006 0.000 1.028 431 F CB 1.696 40.660 39.000 -0.061 0.000 1.284 431 F HN -0.072 nan 8.300 nan 0.000 0.501 432 D N 1.781 122.323 120.400 0.236 0.000 2.454 432 D HA 0.142 4.740 4.640 -0.070 0.000 0.247 432 D C 0.567 176.914 176.300 0.079 0.000 1.129 432 D CA -0.347 53.731 54.000 0.130 0.000 0.877 432 D CB 1.234 42.099 40.800 0.109 0.000 1.082 432 D HN 0.395 nan 8.370 nan 0.000 0.537 433 L N 4.551 125.782 121.223 0.014 0.000 2.127 433 L HA -0.054 4.244 4.340 -0.070 0.000 0.211 433 L C 1.984 178.770 176.870 -0.140 0.000 1.089 433 L CA 2.348 57.129 54.840 -0.099 0.000 0.757 433 L CB -0.513 41.414 42.059 -0.221 0.000 0.899 433 L HN 0.494 nan 8.230 nan 0.000 0.434 434 A N -0.693 122.100 122.820 -0.045 0.000 1.873 434 A HA -0.068 4.210 4.320 -0.070 0.000 0.215 434 A C 2.439 179.973 177.584 -0.084 0.000 1.186 434 A CA 1.699 53.700 52.037 -0.060 0.000 0.616 434 A CB -1.113 18.055 19.000 0.281 0.000 0.823 434 A HN 0.533 nan 8.150 nan 0.000 0.442 435 A N -0.578 122.248 122.820 0.010 0.000 1.969 435 A HA 0.016 4.294 4.320 -0.070 0.000 0.218 435 A C 1.920 179.468 177.584 -0.060 0.000 1.169 435 A CA 1.587 53.623 52.037 -0.001 0.000 0.635 435 A CB -0.496 18.518 19.000 0.023 0.000 0.810 435 A HN 0.382 nan 8.150 nan 0.000 0.445 436 I N 0.771 121.328 120.570 -0.022 0.000 2.252 436 I HA -0.215 3.913 4.170 -0.070 0.000 0.245 436 I C 2.042 178.178 176.117 0.031 0.000 1.102 436 I CA 1.295 62.639 61.300 0.074 0.000 1.385 436 I CB -1.060 37.015 38.000 0.124 0.000 1.064 436 I HN 0.393 nan 8.210 nan 0.000 0.414 437 N N 0.158 118.751 118.700 -0.180 0.000 2.084 437 N HA -0.158 4.540 4.740 -0.070 0.000 0.190 437 N C 1.932 177.355 175.510 -0.146 0.000 1.030 437 N CA 1.019 53.883 53.050 -0.309 0.000 0.849 437 N CB -0.173 37.627 38.487 -1.144 0.000 1.012 437 N HN 0.252 nan 8.380 nan 0.000 0.423 438 L N 0.615 121.770 121.223 -0.114 0.000 2.017 438 L HA -0.210 4.088 4.340 -0.070 0.000 0.208 438 L C 2.630 179.492 176.870 -0.013 0.000 1.073 438 L CA 1.163 56.027 54.840 0.040 0.000 0.745 438 L CB -0.425 41.707 42.059 0.123 0.000 0.894 438 L HN 0.215 nan 8.230 nan 0.000 0.432 439 Q N 0.255 119.981 119.800 -0.124 0.000 2.084 439 Q HA -0.240 4.058 4.340 -0.070 0.000 0.202 439 Q C 2.212 178.184 176.000 -0.047 0.000 0.978 439 Q CA 1.573 57.193 55.803 -0.305 0.000 0.844 439 Q CB -0.083 28.120 28.738 -0.892 0.000 0.898 439 Q HN 0.106 nan 8.270 nan 0.000 0.426 440 R N -0.909 119.696 120.500 0.174 0.000 2.115 440 R HA -0.044 4.254 4.340 -0.070 0.000 0.230 440 R C 2.126 178.572 176.300 0.244 0.000 1.111 440 R CA 1.488 57.876 56.100 0.481 0.000 0.976 440 R CB -0.974 29.643 30.300 0.529 0.000 0.870 440 R HN 0.414 nan 8.270 nan 0.000 0.445 441 C N -0.105 119.098 119.300 -0.163 0.000 2.413 441 C HA -0.069 4.349 4.460 -0.070 0.000 0.276 441 C C 2.494 177.415 174.990 -0.114 0.000 1.248 441 C CA 1.120 59.765 59.018 -0.621 0.000 1.742 441 C CB -0.782 26.706 27.740 -0.420 0.000 2.017 441 C HN 0.521 nan 8.230 nan 0.000 0.481 442 R N 0.419 120.980 120.500 0.101 0.000 2.075 442 R HA -0.116 4.183 4.340 -0.070 0.000 0.232 442 R C 1.906 178.389 176.300 0.304 0.000 1.126 442 R CA 1.715 57.958 56.100 0.238 0.000 0.963 442 R CB -0.548 29.957 30.300 0.340 0.000 0.858 442 R HN 0.519 nan 8.270 nan 0.000 0.435 443 D N 0.461 121.124 120.400 0.439 0.000 2.123 443 D HA -0.187 4.411 4.640 -0.070 0.000 0.196 443 D C 1.289 177.894 176.300 0.508 0.000 0.992 443 D CA 1.374 55.681 54.000 0.513 0.000 0.833 443 D CB -0.095 41.158 40.800 0.756 0.000 0.954 443 D HN 0.394 nan 8.370 nan 0.000 0.455 444 H N -1.250 118.004 119.070 0.307 0.000 2.543 444 H HA 0.224 4.738 4.556 -0.070 0.000 0.269 444 H C 0.994 176.355 175.328 0.055 0.000 1.005 444 H CA 0.157 56.376 56.048 0.284 0.000 1.146 444 H CB 0.129 30.170 29.762 0.465 0.000 1.353 444 H HN 0.284 nan 8.280 nan 0.000 0.595 445 G N 1.798 110.563 108.800 -0.058 0.000 2.295 445 G HA2 -0.279 3.639 3.960 -0.070 0.000 0.287 445 G HA3 -0.279 3.639 3.960 -0.070 0.000 0.287 445 G C 0.247 175.030 174.900 -0.194 0.000 1.055 445 G CA -0.116 44.640 45.100 -0.574 0.000 0.922 445 G HN 0.158 nan 8.290 nan 0.000 0.503 446 M N -0.128 119.469 119.600 -0.004 0.000 2.228 446 M HA 0.236 4.674 4.480 -0.070 0.000 0.351 446 M C -1.695 174.692 176.300 0.145 0.000 1.233 446 M CA -1.882 53.486 55.300 0.113 0.000 1.129 446 M CB 0.124 32.746 32.600 0.036 0.000 1.604 446 M HN -0.023 nan 8.290 nan 0.000 0.457 447 P HA 0.181 nan 4.420 nan 0.000 0.272 447 P C 0.210 177.563 177.300 0.088 0.000 1.230 447 P CA -0.202 62.892 63.100 -0.011 0.000 0.788 447 P CB 0.493 31.971 31.700 -0.370 0.000 0.949 448 G N -0.144 108.663 108.800 0.012 0.000 2.653 448 G HA2 -0.067 3.851 3.960 -0.070 0.000 0.265 448 G HA3 -0.067 3.851 3.960 -0.070 0.000 0.265 448 G C 0.342 175.352 174.900 0.184 0.000 1.237 448 G CA -0.102 45.051 45.100 0.088 0.000 0.946 448 G HN 0.477 nan 8.290 nan 0.000 0.522 449 Y N 0.253 120.595 120.300 0.070 0.000 2.151 449 Y HA -0.214 4.294 4.550 -0.070 0.000 0.284 449 Y C 2.565 178.525 175.900 0.101 0.000 1.166 449 Y CA 2.483 60.645 58.100 0.104 0.000 1.163 449 Y CB -0.009 38.443 38.460 -0.014 0.000 0.974 449 Y HN 0.417 nan 8.280 nan 0.000 0.511 450 N N -0.518 118.159 118.700 -0.039 0.000 2.396 450 N HA -0.111 4.587 4.740 -0.070 0.000 0.180 450 N C 1.914 177.350 175.510 -0.124 0.000 1.028 450 N CA 1.208 54.175 53.050 -0.139 0.000 0.893 450 N CB -0.218 38.249 38.487 -0.034 0.000 0.967 450 N HN 0.323 nan 8.380 nan 0.000 0.440 451 S N -0.310 115.298 115.700 -0.153 0.000 2.368 451 S HA -0.080 4.349 4.470 -0.070 0.000 0.224 451 S C 1.600 176.031 174.600 -0.282 0.000 1.029 451 S CA 0.781 58.819 58.200 -0.271 0.000 0.988 451 S CB -0.261 62.668 63.200 -0.452 0.000 0.838 451 S HN 0.501 nan 8.310 nan 0.000 0.462 452 W N 1.782 123.072 121.300 -0.018 0.000 2.436 452 W HA 0.089 4.708 4.660 -0.068 0.000 0.284 452 W C 2.526 179.060 176.519 0.026 0.000 1.225 452 W CA -0.204 57.157 57.345 0.025 0.000 1.271 452 W CB -0.058 29.398 29.460 -0.007 0.000 1.114 452 W HN 0.068 nan 8.180 nan 0.000 0.559 453 R N 0.154 120.672 120.500 0.031 0.000 2.083 453 R HA -0.103 4.195 4.340 -0.070 0.000 0.237 453 R C 2.347 178.674 176.300 0.044 0.000 1.137 453 R CA 1.636 57.702 56.100 -0.057 0.000 0.951 453 R CB -1.590 28.553 30.300 -0.262 0.000 0.851 453 R HN 0.349 nan 8.270 nan 0.000 0.434 454 G N 0.409 109.226 108.800 0.029 0.000 2.421 454 G HA2 -0.299 3.619 3.960 -0.070 0.000 0.216 454 G HA3 -0.299 3.619 3.960 -0.070 0.000 0.216 454 G C 1.394 176.355 174.900 0.102 0.000 1.171 454 G CA 0.505 45.629 45.100 0.040 0.000 0.775 454 G HN 0.327 nan 8.290 nan 0.000 0.543 455 F N 1.044 121.002 119.950 0.014 0.000 2.192 455 F HA -0.150 4.334 4.527 -0.071 0.000 0.301 455 F C 2.062 177.929 175.800 0.111 0.000 1.079 455 F CA 1.285 59.330 58.000 0.074 0.000 1.303 455 F CB -0.111 39.002 39.000 0.187 0.000 1.024 455 F HN 0.160 nan 8.300 nan 0.000 0.494 456 c N 0.827 119.547 118.600 0.199 0.000 2.754 456 c HA 0.433 4.961 4.570 -0.070 0.000 0.276 456 c C 1.637 175.786 174.090 0.098 0.000 1.264 456 c CA 0.439 56.838 56.329 0.116 0.000 1.700 456 c CB -1.257 41.370 42.510 0.194 0.000 1.885 456 c HN 0.859 nan 8.230 nan 0.000 0.607 457 G N 1.381 110.208 108.800 0.045 0.000 2.221 457 G HA2 -0.237 3.681 3.960 -0.070 0.000 0.265 457 G HA3 -0.237 3.681 3.960 -0.070 0.000 0.265 457 G C -0.228 174.699 174.900 0.045 0.000 1.041 457 G CA 0.116 45.235 45.100 0.032 0.000 0.807 457 G HN 0.552 nan 8.290 nan 0.000 0.502 458 L N 0.529 121.780 121.223 0.045 0.000 2.330 458 L HA 0.658 4.956 4.340 -0.070 0.000 0.271 458 L C 1.350 178.224 176.870 0.008 0.000 1.013 458 L CA -0.613 54.247 54.840 0.034 0.000 0.816 458 L CB 1.769 43.850 42.059 0.037 0.000 1.287 458 L HN 0.388 nan 8.230 nan 0.000 0.435 459 S N 1.065 116.771 115.700 0.011 0.000 2.566 459 S HA 0.085 4.513 4.470 -0.070 0.000 0.280 459 S C -0.345 174.249 174.600 -0.010 0.000 1.343 459 S CA -0.433 57.771 58.200 0.006 0.000 1.036 459 S CB 0.390 63.600 63.200 0.017 0.000 0.866 459 S HN 0.624 nan 8.310 nan 0.000 0.526 460 Q N 1.835 121.632 119.800 -0.005 0.000 2.454 460 Q HA 0.364 4.662 4.340 -0.070 0.000 0.255 460 Q C -2.567 173.449 176.000 0.025 0.000 1.034 460 Q CA -1.973 53.822 55.803 -0.012 0.000 0.736 460 Q CB 1.433 30.157 28.738 -0.023 0.000 1.210 460 Q HN 0.581 nan 8.270 nan 0.000 0.500 461 P HA -0.027 nan 4.420 nan 0.000 0.264 461 P C -0.240 177.096 177.300 0.060 0.000 1.193 461 P CA -0.067 63.073 63.100 0.066 0.000 0.763 461 P CB 1.211 32.970 31.700 0.099 0.000 0.810 462 K N 0.642 121.068 120.400 0.043 0.000 2.370 462 K HA 0.118 4.396 4.320 -0.070 0.000 0.194 462 K C 1.160 177.780 176.600 0.033 0.000 1.070 462 K CA 0.736 57.047 56.287 0.040 0.000 0.998 462 K CB 0.175 32.697 32.500 0.036 0.000 0.911 462 K HN 0.622 nan 8.250 nan 0.000 0.533 463 T N -2.402 112.169 114.554 0.028 0.000 2.927 463 T HA 0.328 4.636 4.350 -0.070 0.000 0.286 463 T C 1.220 175.928 174.700 0.013 0.000 1.040 463 T CA -0.867 61.245 62.100 0.019 0.000 1.010 463 T CB 1.331 70.211 68.868 0.019 0.000 1.177 463 T HN -0.115 nan 8.240 nan 0.000 0.546 464 L N 0.241 121.467 121.223 0.005 0.000 1.989 464 L HA -0.056 4.242 4.340 -0.070 0.000 0.211 464 L C 2.597 179.470 176.870 0.005 0.000 1.071 464 L CA 2.027 56.867 54.840 0.000 0.000 0.749 464 L CB -0.588 41.470 42.059 -0.002 0.000 0.890 464 L HN 0.833 nan 8.230 nan 0.000 0.431 465 K N -0.133 120.272 120.400 0.009 0.000 2.097 465 K HA -0.120 4.158 4.320 -0.070 0.000 0.206 465 K C 1.863 178.472 176.600 0.015 0.000 1.049 465 K CA 1.394 57.687 56.287 0.010 0.000 0.933 465 K CB -0.517 31.990 32.500 0.011 0.000 0.717 465 K HN 0.463 nan 8.250 nan 0.000 0.442 466 G N 0.391 109.203 108.800 0.019 0.000 2.402 466 G HA2 -0.212 3.706 3.960 -0.070 0.000 0.216 466 G HA3 -0.212 3.706 3.960 -0.070 0.000 0.216 466 G C 1.349 176.270 174.900 0.035 0.000 1.162 466 G CA 0.739 45.855 45.100 0.028 0.000 0.777 466 G HN 0.302 nan 8.290 nan 0.000 0.539 467 L N 0.338 121.578 121.223 0.029 0.000 2.201 467 L HA 0.060 4.358 4.340 -0.070 0.000 0.212 467 L C 2.861 179.738 176.870 0.012 0.000 1.105 467 L CA 1.553 56.409 54.840 0.026 0.000 0.775 467 L CB -0.348 41.711 42.059 0.001 0.000 0.913 467 L HN 0.293 nan 8.230 nan 0.000 0.440 468 Q N -1.479 118.325 119.800 0.008 0.000 2.079 468 Q HA -0.164 4.135 4.340 -0.070 0.000 0.200 468 Q C 1.951 177.957 176.000 0.009 0.000 0.974 468 Q CA 2.074 57.879 55.803 0.003 0.000 0.840 468 Q CB -0.251 28.489 28.738 0.003 0.000 0.898 468 Q HN 0.488 nan 8.270 nan 0.000 0.430 469 T N 0.444 115.008 114.554 0.016 0.000 2.821 469 T HA -0.090 4.218 4.350 -0.070 0.000 0.267 469 T C 2.013 176.729 174.700 0.027 0.000 1.046 469 T CA 1.102 63.213 62.100 0.019 0.000 1.139 469 T CB -0.101 68.779 68.868 0.020 0.000 0.871 469 T HN 0.036 nan 8.240 nan 0.000 0.454 470 V N 1.076 121.014 119.914 0.040 0.000 2.323 470 V HA -0.034 4.044 4.120 -0.070 0.000 0.244 470 V C 2.284 178.405 176.094 0.046 0.000 1.041 470 V CA 1.187 63.523 62.300 0.059 0.000 1.025 470 V CB -0.467 31.419 31.823 0.105 0.000 0.656 470 V HN 0.310 nan 8.190 nan 0.000 0.451 471 L N -0.538 120.700 121.223 0.025 0.000 2.313 471 L HA 0.098 4.396 4.340 -0.070 0.000 0.214 471 L C 1.367 178.236 176.870 -0.002 0.000 1.119 471 L CA 0.989 55.829 54.840 -0.000 0.000 0.809 471 L CB -1.079 40.962 42.059 -0.030 0.000 0.933 471 L HN 0.378 nan 8.230 nan 0.000 0.449 472 K N 0.388 120.790 120.400 0.004 0.000 3.071 472 K HA -0.230 4.048 4.320 -0.070 0.000 0.265 472 K C -0.009 176.588 176.600 -0.005 0.000 1.060 472 K CA 0.547 56.835 56.287 0.002 0.000 0.767 472 K CB -1.340 31.162 32.500 0.003 0.000 1.241 472 K HN 0.301 nan 8.250 nan 0.000 0.486 473 N N 0.282 118.978 118.700 -0.008 0.000 2.549 473 N HA 0.163 4.861 4.740 -0.070 0.000 0.290 473 N C 0.139 175.644 175.510 -0.010 0.000 1.122 473 N CA -0.520 52.524 53.050 -0.011 0.000 0.885 473 N CB 1.372 39.848 38.487 -0.018 0.000 1.455 473 N HN -0.009 nan 8.380 nan 0.000 0.521 474 K N 1.956 122.353 120.400 -0.006 0.000 2.001 474 K HA -0.042 4.236 4.320 -0.070 0.000 0.208 474 K C 1.845 178.442 176.600 -0.005 0.000 1.048 474 K CA 1.526 57.810 56.287 -0.004 0.000 0.932 474 K CB 0.046 32.545 32.500 -0.001 0.000 0.715 474 K HN 0.691 nan 8.250 nan 0.000 0.437 475 I N -0.649 119.919 120.570 -0.004 0.000 2.546 475 I HA -0.146 3.982 4.170 -0.070 0.000 0.255 475 I C 2.012 178.127 176.117 -0.004 0.000 1.163 475 I CA 0.852 62.151 61.300 -0.002 0.000 1.457 475 I CB -0.074 37.927 38.000 0.002 0.000 1.092 475 I HN 0.010 nan 8.210 nan 0.000 0.434 476 L N 2.402 123.619 121.223 -0.010 0.000 2.027 476 L HA 0.054 4.352 4.340 -0.070 0.000 0.206 476 L C 2.590 179.447 176.870 -0.022 0.000 1.074 476 L CA 2.138 56.969 54.840 -0.015 0.000 0.745 476 L CB -1.033 41.009 42.059 -0.028 0.000 0.898 476 L HN 0.284 nan 8.230 nan 0.000 0.433 477 A N -0.864 121.940 122.820 -0.027 0.000 2.234 477 A HA -0.212 4.067 4.320 -0.070 0.000 0.216 477 A C 2.313 179.884 177.584 -0.022 0.000 1.167 477 A CA 1.875 53.892 52.037 -0.034 0.000 0.698 477 A CB -0.577 18.408 19.000 -0.025 0.000 0.779 477 A HN 0.632 nan 8.150 nan 0.000 0.475 478 K N -1.135 119.259 120.400 -0.011 0.000 2.511 478 K HA 0.146 4.424 4.320 -0.070 0.000 0.209 478 K C 1.324 177.925 176.600 0.001 0.000 1.301 478 K CA 0.226 56.510 56.287 -0.006 0.000 0.967 478 K CB 0.036 32.533 32.500 -0.005 0.000 1.109 478 K HN 0.269 nan 8.250 nan 0.000 0.561 479 K N 0.895 121.299 120.400 0.007 0.000 2.026 479 K HA -0.095 4.183 4.320 -0.070 0.000 0.208 479 K C 1.891 178.516 176.600 0.041 0.000 1.048 479 K CA 1.118 57.416 56.287 0.018 0.000 0.929 479 K CB -0.064 32.450 32.500 0.022 0.000 0.713 479 K HN 0.013 nan 8.250 nan 0.000 0.439 480 L N 0.904 122.153 121.223 0.044 0.000 2.046 480 L HA -0.140 4.158 4.340 -0.070 0.000 0.208 480 L C 2.273 179.213 176.870 0.116 0.000 1.077 480 L CA 1.679 56.578 54.840 0.098 0.000 0.747 480 L CB -0.563 41.483 42.059 -0.022 0.000 0.896 480 L HN 0.251 nan 8.230 nan 0.000 0.432 481 M N -1.012 118.604 119.600 0.028 0.000 2.132 481 M HA -0.165 4.273 4.480 -0.070 0.000 0.263 481 M C 1.813 178.098 176.300 -0.025 0.000 1.065 481 M CA 1.309 56.605 55.300 -0.006 0.000 1.122 481 M CB -1.173 31.410 32.600 -0.028 0.000 1.365 481 M HN 0.209 nan 8.290 nan 0.000 0.411 482 D N 0.223 120.614 120.400 -0.015 0.000 2.178 482 D HA -0.066 4.532 4.640 -0.070 0.000 0.201 482 D C 2.209 178.478 176.300 -0.052 0.000 0.980 482 D CA 1.018 54.998 54.000 -0.033 0.000 0.842 482 D CB -0.029 40.760 40.800 -0.018 0.000 0.948 482 D HN 0.343 nan 8.370 nan 0.000 0.472 483 L N -1.190 120.008 121.223 -0.043 0.000 2.202 483 L HA -0.042 4.256 4.340 -0.070 0.000 0.205 483 L C 1.817 178.549 176.870 -0.230 0.000 1.083 483 L CA 0.602 55.353 54.840 -0.148 0.000 0.790 483 L CB -0.041 41.898 42.059 -0.201 0.000 0.942 483 L HN 0.001 nan 8.230 nan 0.000 0.452 484 Y N -0.722 119.515 120.300 -0.105 0.000 2.524 484 Y HA 0.044 4.552 4.550 -0.070 0.000 0.270 484 Y C 1.027 176.751 175.900 -0.292 0.000 1.094 484 Y CA -0.368 57.652 58.100 -0.133 0.000 1.276 484 Y CB 0.482 38.885 38.460 -0.095 0.000 1.130 484 Y HN -0.063 nan 8.280 nan 0.000 0.536 485 K N -0.093 120.176 120.400 -0.219 0.000 3.529 485 K HA -0.228 4.050 4.320 -0.070 0.000 0.313 485 K C 0.022 176.268 176.600 -0.590 0.000 1.316 485 K CA 1.361 57.293 56.287 -0.591 0.000 0.988 485 K CB -2.193 29.459 32.500 -1.414 0.000 1.252 485 K HN 0.388 nan 8.250 nan 0.000 0.438 486 T N -1.383 113.018 114.554 -0.256 0.000 3.559 486 T HA 0.358 4.666 4.350 -0.070 0.000 0.391 486 T C -2.703 171.978 174.700 -0.031 0.000 1.522 486 T CA -0.766 61.274 62.100 -0.100 0.000 1.159 486 T CB 1.695 70.566 68.868 0.006 0.000 1.384 486 T HN -0.273 nan 8.240 nan 0.000 0.475 487 P HA 0.016 nan 4.420 nan 0.000 0.223 487 P C 0.787 178.123 177.300 0.060 0.000 1.144 487 P CA 0.717 63.825 63.100 0.014 0.000 0.783 487 P CB 0.186 31.934 31.700 0.081 0.000 0.771 488 D N -1.133 119.297 120.400 0.049 0.000 2.224 488 D HA -0.077 4.521 4.640 -0.070 0.000 0.205 488 D C 1.231 177.544 176.300 0.021 0.000 0.965 488 D CA 0.974 55.001 54.000 0.045 0.000 0.852 488 D CB -0.556 40.268 40.800 0.040 0.000 0.947 488 D HN 0.150 nan 8.370 nan 0.000 0.494 489 N N 0.050 118.760 118.700 0.016 0.000 2.412 489 N HA 0.031 4.729 4.740 -0.070 0.000 0.184 489 N C -0.042 175.441 175.510 -0.045 0.000 1.101 489 N CA -0.095 52.977 53.050 0.037 0.000 0.881 489 N CB 0.231 38.808 38.487 0.150 0.000 0.969 489 N HN 0.101 nan 8.380 nan 0.000 0.459 490 I N 2.103 122.486 120.570 -0.312 0.000 2.587 490 I HA -0.081 4.047 4.170 -0.070 0.000 0.284 490 I C 0.512 176.474 176.117 -0.259 0.000 1.134 490 I CA -0.494 60.343 61.300 -0.772 0.000 1.410 490 I CB -0.120 37.464 38.000 -0.694 0.000 1.392 490 I HN -0.030 nan 8.210 nan 0.000 0.545 491 D N 5.679 125.984 120.400 -0.157 0.000 2.488 491 D HA -0.088 4.511 4.640 -0.070 0.000 0.238 491 D C 1.444 177.792 176.300 0.080 0.000 1.138 491 D CA 0.068 54.112 54.000 0.074 0.000 0.873 491 D CB 1.159 42.077 40.800 0.197 0.000 1.183 491 D HN 0.446 nan 8.370 nan 0.000 0.458 492 I N 2.810 123.466 120.570 0.144 0.000 2.208 492 I HA -0.220 3.908 4.170 -0.070 0.000 0.245 492 I C 1.911 178.117 176.117 0.149 0.000 1.097 492 I CA 1.310 62.716 61.300 0.176 0.000 1.363 492 I CB -0.181 37.886 38.000 0.113 0.000 1.051 492 I HN 0.617 nan 8.210 nan 0.000 0.413 493 W N 0.731 122.036 121.300 0.009 0.000 2.335 493 W HA -0.246 4.371 4.660 -0.071 0.000 0.311 493 W C 2.377 178.932 176.519 0.059 0.000 1.213 493 W CA 2.062 59.444 57.345 0.061 0.000 1.274 493 W CB -0.377 29.143 29.460 0.100 0.000 1.148 493 W HN 0.215 nan 8.180 nan 0.000 0.498 494 I N 0.657 121.206 120.570 -0.034 0.000 2.406 494 I HA -0.019 4.109 4.170 -0.070 0.000 0.249 494 I C 2.193 178.138 176.117 -0.288 0.000 1.122 494 I CA 1.924 63.054 61.300 -0.283 0.000 1.431 494 I CB -1.493 36.503 38.000 -0.005 0.000 1.087 494 I HN 0.143 nan 8.210 nan 0.000 0.424 495 G N 0.510 109.162 108.800 -0.247 0.000 2.421 495 G HA2 -0.239 3.679 3.960 -0.070 0.000 0.216 495 G HA3 -0.239 3.679 3.960 -0.070 0.000 0.216 495 G C 1.648 176.435 174.900 -0.188 0.000 1.171 495 G CA 0.775 45.606 45.100 -0.448 0.000 0.775 495 G HN 0.494 nan 8.290 nan 0.000 0.543 496 G N 0.719 109.528 108.800 0.016 0.000 2.418 496 G HA2 -0.222 3.696 3.960 -0.070 0.000 0.217 496 G HA3 -0.222 3.696 3.960 -0.070 0.000 0.217 496 G C 1.669 176.535 174.900 -0.057 0.000 1.158 496 G CA 1.086 46.221 45.100 0.059 0.000 0.771 496 G HN 0.537 nan 8.290 nan 0.000 0.545 497 N N 0.537 119.121 118.700 -0.193 0.000 2.457 497 N HA 0.177 4.875 4.740 -0.070 0.000 0.180 497 N C 2.113 177.518 175.510 -0.174 0.000 1.050 497 N CA 0.581 53.502 53.050 -0.215 0.000 0.906 497 N CB 0.019 38.253 38.487 -0.421 0.000 0.968 497 N HN 0.337 nan 8.380 nan 0.000 0.445 498 A N 0.574 123.283 122.820 -0.185 0.000 2.167 498 A HA 0.008 4.286 4.320 -0.070 0.000 0.214 498 A C 0.550 178.079 177.584 -0.090 0.000 1.151 498 A CA 0.376 52.323 52.037 -0.150 0.000 0.735 498 A CB 0.030 18.912 19.000 -0.196 0.000 0.802 498 A HN 0.250 nan 8.150 nan 0.000 0.467 499 E N 0.942 121.109 120.200 -0.055 0.000 2.366 499 E HA 0.273 4.581 4.350 -0.070 0.000 0.266 499 E C -2.460 174.132 176.600 -0.013 0.000 1.051 499 E CA -2.019 54.377 56.400 -0.007 0.000 0.884 499 E CB 0.177 29.905 29.700 0.047 0.000 1.006 499 E HN 0.176 nan 8.360 nan 0.000 0.417 500 P HA -0.043 nan 4.420 nan 0.000 0.269 500 P C -0.539 176.756 177.300 -0.009 0.000 1.209 500 P CA 0.386 63.481 63.100 -0.008 0.000 0.776 500 P CB 0.464 32.163 31.700 -0.002 0.000 0.876 501 M N 1.720 121.311 119.600 -0.015 0.000 2.245 501 M HA 0.115 4.553 4.480 -0.070 0.000 0.344 501 M C 0.549 176.839 176.300 -0.016 0.000 1.170 501 M CA -0.421 54.865 55.300 -0.022 0.000 1.135 501 M CB 0.310 32.895 32.600 -0.025 0.000 1.574 501 M HN 0.152 nan 8.290 nan 0.000 0.452 502 V N 0.027 119.931 119.914 -0.018 0.000 3.185 502 V HA 0.196 4.274 4.120 -0.070 0.000 0.305 502 V C 0.297 176.381 176.094 -0.017 0.000 1.090 502 V CA -0.867 61.429 62.300 -0.006 0.000 1.107 502 V CB 0.613 32.441 31.823 0.010 0.000 1.061 502 V HN 0.922 nan 8.190 nan 0.000 0.480 503 E N 2.168 122.361 120.200 -0.013 0.000 2.465 503 E HA 0.014 4.323 4.350 -0.070 0.000 0.260 503 E C 0.335 176.916 176.600 -0.032 0.000 0.980 503 E CA -0.032 56.355 56.400 -0.021 0.000 0.927 503 E CB 0.122 29.813 29.700 -0.016 0.000 0.934 503 E HN 0.718 nan 8.360 nan 0.000 0.459 504 R N 0.920 121.394 120.500 -0.043 0.000 4.000 504 R HA -0.176 4.122 4.340 -0.070 0.000 0.362 504 R C 0.038 176.292 176.300 -0.078 0.000 1.183 504 R CA 1.107 57.171 56.100 -0.060 0.000 1.011 504 R CB -2.289 27.978 30.300 -0.055 0.000 1.501 504 R HN 0.696 nan 8.270 nan 0.000 0.553 505 G N -1.339 107.419 108.800 -0.069 0.000 3.075 505 G HA2 0.657 4.575 3.960 -0.070 0.000 0.253 505 G HA3 0.657 4.575 3.960 -0.070 0.000 0.253 505 G C 0.246 175.100 174.900 -0.076 0.000 1.353 505 G CA -0.513 44.537 45.100 -0.083 0.000 1.051 505 G HN 0.023 nan 8.290 nan 0.000 0.553 506 R N -0.737 119.718 120.500 -0.075 0.000 2.566 506 R HA 0.274 4.572 4.340 -0.070 0.000 0.388 506 R C -0.167 176.067 176.300 -0.110 0.000 0.989 506 R CA 0.012 56.097 56.100 -0.024 0.000 1.164 506 R CB 0.418 30.809 30.300 0.151 0.000 1.459 506 R HN 0.562 nan 8.270 nan 0.000 0.553 507 V N -4.063 115.746 119.914 -0.174 0.000 3.159 507 V HA 0.925 5.003 4.120 -0.070 0.000 0.308 507 V C 0.249 176.277 176.094 -0.110 0.000 1.190 507 V CA -1.000 61.172 62.300 -0.212 0.000 1.037 507 V CB 1.760 33.335 31.823 -0.412 0.000 1.060 507 V HN 0.044 nan 8.190 nan 0.000 0.437 508 G N 0.217 108.972 108.800 -0.075 0.000 2.543 508 G HA2 0.587 4.505 3.960 -0.070 0.000 0.290 508 G HA3 0.587 4.505 3.960 -0.070 0.000 0.290 508 G C -1.911 172.987 174.900 -0.002 0.000 1.310 508 G CA -1.019 44.067 45.100 -0.023 0.000 1.025 508 G HN 0.635 nan 8.290 nan 0.000 0.502 509 P HA -0.136 nan 4.420 nan 0.000 0.213 509 P C 2.167 179.498 177.300 0.053 0.000 1.170 509 P CA 0.643 63.788 63.100 0.076 0.000 0.902 509 P CB 0.058 31.810 31.700 0.087 0.000 0.789 510 L N -1.240 120.014 121.223 0.052 0.000 1.989 510 L HA -0.180 4.118 4.340 -0.070 0.000 0.211 510 L C 2.154 179.013 176.870 -0.019 0.000 1.071 510 L CA 2.023 56.889 54.840 0.042 0.000 0.749 510 L CB -1.562 40.548 42.059 0.085 0.000 0.890 510 L HN -0.138 nan 8.230 nan 0.000 0.431 511 L N -0.239 120.963 121.223 -0.034 0.000 2.046 511 L HA -0.100 4.198 4.340 -0.070 0.000 0.208 511 L C 2.679 179.463 176.870 -0.144 0.000 1.077 511 L CA 1.956 56.746 54.840 -0.083 0.000 0.747 511 L CB -1.608 40.389 42.059 -0.102 0.000 0.896 511 L HN 0.382 nan 8.230 nan 0.000 0.432 512 A N -1.485 121.247 122.820 -0.146 0.000 1.908 512 A HA -0.307 3.971 4.320 -0.070 0.000 0.218 512 A C 2.610 179.887 177.584 -0.512 0.000 1.181 512 A CA 1.884 53.813 52.037 -0.180 0.000 0.627 512 A CB -1.422 17.575 19.000 -0.006 0.000 0.818 512 A HN 0.609 nan 8.150 nan 0.000 0.445 513 c N -0.414 117.819 118.600 -0.612 0.000 2.462 513 c HA -0.010 4.518 4.570 -0.070 0.000 0.278 513 c C 2.597 176.268 174.090 -0.698 0.000 1.253 513 c CA 1.199 56.758 56.329 -1.284 0.000 1.713 513 c CB -1.561 40.546 42.510 -0.672 0.000 2.049 513 c HN 0.567 nan 8.230 nan 0.000 0.477 514 L N 0.521 121.613 121.223 -0.218 0.000 2.017 514 L HA -0.114 4.184 4.340 -0.070 0.000 0.208 514 L C 2.751 179.707 176.870 0.142 0.000 1.073 514 L CA 1.521 56.403 54.840 0.069 0.000 0.745 514 L CB -0.676 41.389 42.059 0.009 0.000 0.894 514 L HN 0.404 nan 8.230 nan 0.000 0.432 515 L N -0.512 120.737 121.223 0.044 0.000 2.005 515 L HA -0.105 4.193 4.340 -0.070 0.000 0.207 515 L C 2.744 179.769 176.870 0.258 0.000 1.072 515 L CA 1.434 56.403 54.840 0.215 0.000 0.744 515 L CB -1.225 40.901 42.059 0.111 0.000 0.895 515 L HN 0.293 nan 8.230 nan 0.000 0.433 516 G N -0.172 108.640 108.800 0.020 0.000 2.476 516 G HA2 -0.270 3.648 3.960 -0.070 0.000 0.218 516 G HA3 -0.270 3.648 3.960 -0.070 0.000 0.218 516 G C 1.714 176.738 174.900 0.207 0.000 1.164 516 G CA 0.729 45.898 45.100 0.115 0.000 0.768 516 G HN 0.266 nan 8.290 nan 0.000 0.560 517 R N -0.351 120.195 120.500 0.077 0.000 2.094 517 R HA -0.137 4.161 4.340 -0.070 0.000 0.239 517 R C 2.677 179.090 176.300 0.188 0.000 1.137 517 R CA 1.734 57.910 56.100 0.128 0.000 0.943 517 R CB -0.426 29.852 30.300 -0.035 0.000 0.850 517 R HN 0.393 nan 8.270 nan 0.000 0.433 518 Q N 0.298 120.255 119.800 0.262 0.000 2.030 518 Q HA -0.157 4.141 4.340 -0.070 0.000 0.204 518 Q C 1.747 177.672 176.000 -0.124 0.000 0.986 518 Q CA 1.841 57.663 55.803 0.032 0.000 0.843 518 Q CB -0.303 28.158 28.738 -0.461 0.000 0.904 518 Q HN 0.234 nan 8.270 nan 0.000 0.420 519 F N 0.690 120.666 119.950 0.044 0.000 2.171 519 F HA -0.150 4.335 4.527 -0.070 0.000 0.300 519 F C 2.499 178.452 175.800 0.255 0.000 1.090 519 F CA 1.557 59.641 58.000 0.140 0.000 1.293 519 F CB -0.518 38.499 39.000 0.028 0.000 1.013 519 F HN 0.286 nan 8.300 nan 0.000 0.486 520 Q N 0.697 120.714 119.800 0.362 0.000 2.084 520 Q HA -0.240 4.058 4.340 -0.070 0.000 0.202 520 Q C 2.004 178.103 176.000 0.164 0.000 0.978 520 Q CA 1.806 57.768 55.803 0.264 0.000 0.844 520 Q CB -0.302 28.573 28.738 0.228 0.000 0.898 520 Q HN 0.499 nan 8.270 nan 0.000 0.426 521 Q N 0.331 120.219 119.800 0.146 0.000 2.079 521 Q HA -0.106 4.192 4.340 -0.070 0.000 0.200 521 Q C 2.250 178.325 176.000 0.125 0.000 0.974 521 Q CA 1.640 57.512 55.803 0.116 0.000 0.840 521 Q CB -0.245 28.567 28.738 0.123 0.000 0.898 521 Q HN 0.649 nan 8.270 nan 0.000 0.430 522 I N -1.964 118.677 120.570 0.118 0.000 2.830 522 I HA -0.098 4.031 4.170 -0.070 0.000 0.263 522 I C 2.296 178.520 176.117 0.179 0.000 1.230 522 I CA 0.894 62.294 61.300 0.168 0.000 1.480 522 I CB -0.151 37.929 38.000 0.133 0.000 1.095 522 I HN 0.026 nan 8.210 nan 0.000 0.455 523 R N 1.346 121.828 120.500 -0.030 0.000 2.064 523 R HA -0.079 4.219 4.340 -0.070 0.000 0.221 523 R C 1.641 177.752 176.300 -0.316 0.000 1.136 523 R CA 1.574 57.296 56.100 -0.630 0.000 0.980 523 R CB -0.087 29.582 30.300 -1.051 0.000 0.876 523 R HN 0.258 nan 8.270 nan 0.000 0.437 524 D N -0.320 120.049 120.400 -0.052 0.000 2.219 524 D HA -0.056 4.542 4.640 -0.070 0.000 0.205 524 D C 1.309 177.752 176.300 0.238 0.000 0.970 524 D CA 1.379 55.446 54.000 0.110 0.000 0.851 524 D CB -0.147 40.692 40.800 0.064 0.000 0.943 524 D HN 0.501 nan 8.370 nan 0.000 0.488 525 G N -0.400 108.562 108.800 0.269 0.000 3.284 525 G HA2 -0.019 3.899 3.960 -0.070 0.000 0.236 525 G HA3 -0.019 3.899 3.960 -0.070 0.000 0.236 525 G C -0.157 175.092 174.900 0.583 0.000 1.158 525 G CA -0.276 45.072 45.100 0.414 0.000 0.774 525 G HN -0.013 nan 8.290 nan 0.000 0.545 526 D N 0.210 120.882 120.400 0.452 0.000 2.373 526 D HA 0.201 4.799 4.640 -0.070 0.000 0.227 526 D C 1.423 177.646 176.300 -0.128 0.000 1.091 526 D CA -0.718 53.436 54.000 0.256 0.000 0.840 526 D CB 1.178 42.235 40.800 0.428 0.000 1.060 526 D HN 0.088 nan 8.370 nan 0.000 0.502 527 R N 2.806 122.935 120.500 -0.619 0.000 2.189 527 R HA -0.032 4.266 4.340 -0.070 0.000 0.223 527 R C 0.603 176.392 176.300 -0.851 0.000 1.092 527 R CA 1.060 56.435 56.100 -1.208 0.000 0.989 527 R CB -0.008 29.575 30.300 -1.195 0.000 0.876 527 R HN 0.367 nan 8.270 nan 0.000 0.457 528 F N -0.402 119.413 119.950 -0.226 0.000 2.668 528 F HA 0.166 4.648 4.527 -0.075 0.000 0.297 528 F C 0.335 176.175 175.800 0.067 0.000 1.124 528 F CA -0.794 57.145 58.000 -0.102 0.000 1.353 528 F CB 0.050 38.972 39.000 -0.129 0.000 0.992 528 F HN 0.093 nan 8.300 nan 0.000 0.524 529 W N 3.015 124.329 121.300 0.024 0.000 2.223 529 W HA -0.119 4.516 4.660 -0.042 0.000 0.334 529 W C 1.319 177.893 176.519 0.092 0.000 1.334 529 W CA -0.630 56.742 57.345 0.044 0.000 1.246 529 W CB 0.458 29.843 29.460 -0.125 0.000 1.184 529 W HN 0.518 nan 8.180 nan 0.000 0.563 530 W N 4.645 125.609 121.300 -0.560 0.000 2.341 530 W HA -0.205 4.447 4.660 -0.013 0.000 0.283 530 W C 0.553 177.046 176.519 -0.043 0.000 1.215 530 W CA 1.449 58.705 57.345 -0.148 0.000 1.211 530 W CB -0.683 28.598 29.460 -0.299 0.000 1.131 530 W HN 0.476 nan 8.180 nan 0.000 0.552 531 E N 0.563 120.077 120.200 -1.144 0.000 2.479 531 E HA -0.074 4.234 4.350 -0.070 0.000 0.193 531 E C 0.120 176.715 176.600 -0.008 0.000 1.049 531 E CA -0.236 55.693 56.400 -0.785 0.000 0.870 531 E CB -0.235 28.935 29.700 -0.884 0.000 0.944 531 E HN 0.024 nan 8.360 nan 0.000 0.492 532 N N 2.388 121.174 118.700 0.143 0.000 2.431 532 N HA 0.034 4.732 4.740 -0.070 0.000 0.265 532 N C -2.660 172.902 175.510 0.088 0.000 1.184 532 N CA -1.755 51.437 53.050 0.237 0.000 0.943 532 N CB 0.593 39.192 38.487 0.186 0.000 1.080 532 N HN -0.246 nan 8.380 nan 0.000 0.477 533 P HA 0.030 nan 4.420 nan 0.000 0.259 533 P C 0.680 177.977 177.300 -0.003 0.000 1.163 533 P CA 0.964 64.081 63.100 0.029 0.000 0.760 533 P CB 0.361 32.072 31.700 0.018 0.000 0.762 534 G N 1.352 110.148 108.800 -0.007 0.000 2.234 534 G HA2 -0.296 3.622 3.960 -0.070 0.000 0.235 534 G HA3 -0.296 3.622 3.960 -0.070 0.000 0.235 534 G C 0.997 175.852 174.900 -0.075 0.000 0.997 534 G CA 0.178 45.253 45.100 -0.042 0.000 0.623 534 G HN 0.404 nan 8.290 nan 0.000 0.514 535 V N -0.223 119.650 119.914 -0.068 0.000 2.323 535 V HA 0.325 4.403 4.120 -0.070 0.000 0.244 535 V C 1.261 177.179 176.094 -0.294 0.000 1.041 535 V CA 1.947 64.155 62.300 -0.153 0.000 1.025 535 V CB -0.329 31.453 31.823 -0.068 0.000 0.656 535 V HN 0.304 nan 8.190 nan 0.000 0.451 536 F N -0.748 119.229 119.950 0.045 0.000 2.593 536 F HA 0.496 5.022 4.527 -0.001 0.000 0.320 536 F C 0.684 176.463 175.800 -0.036 0.000 1.060 536 F CA -0.745 57.270 58.000 0.023 0.000 0.940 536 F CB 1.621 40.687 39.000 0.109 0.000 1.268 536 F HN -0.081 nan 8.300 nan 0.000 0.475 537 T N -2.370 112.244 114.554 0.100 0.000 2.816 537 T HA 0.159 4.467 4.350 -0.070 0.000 0.282 537 T C 0.894 175.613 174.700 0.031 0.000 0.993 537 T CA -0.517 61.591 62.100 0.013 0.000 0.994 537 T CB 1.240 70.070 68.868 -0.064 0.000 1.025 537 T HN 0.722 nan 8.240 nan 0.000 0.529 538 E N 0.381 120.592 120.200 0.018 0.000 2.085 538 E HA -0.166 4.142 4.350 -0.070 0.000 0.194 538 E C 2.008 178.619 176.600 0.020 0.000 0.994 538 E CA 1.304 57.722 56.400 0.030 0.000 0.801 538 E CB -0.052 29.660 29.700 0.021 0.000 0.743 538 E HN 0.646 nan 8.360 nan 0.000 0.453 539 K N 0.070 120.459 120.400 -0.018 0.000 2.148 539 K HA -0.127 4.151 4.320 -0.070 0.000 0.204 539 K C 2.250 178.809 176.600 -0.068 0.000 1.050 539 K CA 0.935 57.206 56.287 -0.028 0.000 0.942 539 K CB 0.040 32.516 32.500 -0.040 0.000 0.724 539 K HN 0.141 nan 8.250 nan 0.000 0.446 540 Q N -0.105 119.585 119.800 -0.184 0.000 2.172 540 Q HA -0.071 4.227 4.340 -0.070 0.000 0.200 540 Q C 1.974 177.945 176.000 -0.047 0.000 0.964 540 Q CA 0.971 56.545 55.803 -0.380 0.000 0.855 540 Q CB 0.114 28.437 28.738 -0.691 0.000 0.918 540 Q HN 0.213 nan 8.270 nan 0.000 0.444 541 R N 0.530 121.062 120.500 0.054 0.000 2.075 541 R HA -0.111 4.187 4.340 -0.070 0.000 0.232 541 R C 1.476 177.889 176.300 0.189 0.000 1.126 541 R CA 1.395 57.616 56.100 0.202 0.000 0.963 541 R CB -0.086 30.360 30.300 0.245 0.000 0.858 541 R HN 0.246 nan 8.270 nan 0.000 0.435 542 D N -0.098 120.375 120.400 0.122 0.000 2.178 542 D HA -0.133 4.465 4.640 -0.070 0.000 0.201 542 D C 1.834 178.191 176.300 0.094 0.000 0.980 542 D CA 1.242 55.305 54.000 0.105 0.000 0.842 542 D CB -0.101 40.743 40.800 0.074 0.000 0.948 542 D HN 0.023 nan 8.370 nan 0.000 0.472 543 S N -0.787 114.980 115.700 0.111 0.000 2.395 543 S HA 0.014 4.442 4.470 -0.070 0.000 0.225 543 S C 1.902 176.558 174.600 0.094 0.000 1.027 543 S CA 0.357 58.640 58.200 0.139 0.000 0.965 543 S CB -0.172 63.194 63.200 0.277 0.000 0.812 543 S HN 0.172 nan 8.310 nan 0.000 0.482 544 L N 1.621 122.884 121.223 0.068 0.000 2.141 544 L HA -0.085 4.213 4.340 -0.070 0.000 0.209 544 L C 2.452 179.199 176.870 -0.205 0.000 1.094 544 L CA 1.280 56.060 54.840 -0.099 0.000 0.763 544 L CB -0.519 41.383 42.059 -0.261 0.000 0.908 544 L HN 0.576 nan 8.230 nan 0.000 0.437 545 Q N -0.246 119.476 119.800 -0.129 0.000 2.431 545 Q HA -0.116 4.182 4.340 -0.070 0.000 0.210 545 Q C 1.247 177.215 176.000 -0.052 0.000 0.958 545 Q CA 0.596 56.328 55.803 -0.119 0.000 0.957 545 Q CB -0.076 28.686 28.738 0.040 0.000 1.007 545 Q HN 0.376 nan 8.270 nan 0.000 0.511 546 K N 0.831 121.208 120.400 -0.038 0.000 2.358 546 K HA 0.108 4.386 4.320 -0.070 0.000 0.197 546 K C 0.468 177.055 176.600 -0.021 0.000 1.025 546 K CA 0.052 56.330 56.287 -0.015 0.000 1.104 546 K CB 0.960 33.463 32.500 0.005 0.000 0.855 546 K HN 0.234 nan 8.250 nan 0.000 0.531 547 V N 0.046 119.937 119.914 -0.038 0.000 3.096 547 V HA 0.277 4.355 4.120 -0.070 0.000 0.306 547 V C -0.057 176.031 176.094 -0.010 0.000 1.088 547 V CA -0.499 61.812 62.300 0.019 0.000 1.129 547 V CB 1.253 33.130 31.823 0.090 0.000 1.014 547 V HN 0.210 nan 8.190 nan 0.000 0.486 548 S N 2.049 117.788 115.700 0.064 0.000 2.547 548 S HA 0.513 4.941 4.470 -0.070 0.000 0.270 548 S C -0.263 174.404 174.600 0.112 0.000 1.150 548 S CA -0.407 57.809 58.200 0.028 0.000 0.850 548 S CB 1.206 64.403 63.200 -0.004 0.000 1.118 548 S HN 0.837 nan 8.310 nan 0.000 0.461 549 F N 2.180 122.087 119.950 -0.071 0.000 2.293 549 F HA 0.022 4.510 4.527 -0.065 0.000 0.300 549 F C 2.399 178.163 175.800 -0.061 0.000 1.086 549 F CA 1.886 59.858 58.000 -0.046 0.000 1.375 549 F CB -0.323 38.500 39.000 -0.295 0.000 1.045 549 F HN 0.672 nan 8.300 nan 0.000 0.516 550 S N 0.077 115.777 115.700 0.001 0.000 2.356 550 S HA -0.252 4.176 4.470 -0.070 0.000 0.223 550 S C 2.004 176.538 174.600 -0.110 0.000 1.032 550 S CA 1.494 59.657 58.200 -0.063 0.000 1.005 550 S CB -0.380 62.770 63.200 -0.084 0.000 0.867 550 S HN 0.289 nan 8.310 nan 0.000 0.449 551 R N 1.315 121.761 120.500 -0.090 0.000 2.105 551 R HA 0.005 4.303 4.340 -0.070 0.000 0.239 551 R C 2.121 178.321 176.300 -0.167 0.000 1.135 551 R CA 1.073 57.113 56.100 -0.100 0.000 0.967 551 R CB -0.887 29.376 30.300 -0.063 0.000 0.861 551 R HN 0.401 nan 8.270 nan 0.000 0.442 552 L N -0.124 120.954 121.223 -0.241 0.000 2.042 552 L HA -0.149 4.149 4.340 -0.070 0.000 0.210 552 L C 1.792 178.440 176.870 -0.370 0.000 1.076 552 L CA 1.556 56.162 54.840 -0.390 0.000 0.749 552 L CB -0.298 41.399 42.059 -0.604 0.000 0.893 552 L HN 0.219 nan 8.230 nan 0.000 0.432 553 I N -0.927 119.428 120.570 -0.358 0.000 2.202 553 I HA -0.308 3.820 4.170 -0.070 0.000 0.242 553 I C 2.681 178.703 176.117 -0.158 0.000 1.091 553 I CA 1.232 62.387 61.300 -0.241 0.000 1.368 553 I CB -1.701 36.213 38.000 -0.144 0.000 1.058 553 I HN 0.398 nan 8.210 nan 0.000 0.410 554 c N 1.147 119.673 118.600 -0.122 0.000 2.393 554 c HA -0.210 4.319 4.570 -0.070 0.000 0.276 554 c C 2.356 176.389 174.090 -0.095 0.000 1.215 554 c CA 1.009 57.290 56.329 -0.080 0.000 1.743 554 c CB -1.047 41.425 42.510 -0.063 0.000 2.044 554 c HN 0.509 nan 8.230 nan 0.000 0.464 555 D N 0.117 120.441 120.400 -0.128 0.000 2.312 555 D HA -0.032 4.566 4.640 -0.070 0.000 0.211 555 D C 1.169 177.378 176.300 -0.151 0.000 0.964 555 D CA 0.893 54.815 54.000 -0.130 0.000 0.877 555 D CB -0.456 40.255 40.800 -0.149 0.000 0.924 555 D HN 0.599 nan 8.370 nan 0.000 0.515 556 N N -0.038 118.553 118.700 -0.182 0.000 2.241 556 N HA 0.030 4.728 4.740 -0.070 0.000 0.238 556 N C -0.030 175.339 175.510 -0.234 0.000 1.244 556 N CA 0.164 53.092 53.050 -0.203 0.000 0.880 556 N CB 1.734 40.090 38.487 -0.218 0.000 1.179 556 N HN 0.178 nan 8.380 nan 0.000 0.513 557 T N -3.546 110.870 114.554 -0.231 0.000 2.787 557 T HA 0.339 4.647 4.350 -0.070 0.000 0.297 557 T C -0.052 174.501 174.700 -0.244 0.000 1.221 557 T CA -0.520 61.415 62.100 -0.274 0.000 1.006 557 T CB 1.502 70.267 68.868 -0.173 0.000 1.328 557 T HN 0.043 nan 8.240 nan 0.000 0.509 558 H N -0.627 118.380 119.070 -0.105 0.000 2.537 558 H HA 0.394 4.909 4.556 -0.069 0.000 0.295 558 H C -0.265 175.011 175.328 -0.087 0.000 1.054 558 H CA -0.561 55.425 56.048 -0.104 0.000 1.156 558 H CB -0.127 29.542 29.762 -0.155 0.000 1.468 558 H HN 0.240 nan 8.280 nan 0.000 0.551 559 I N 1.184 121.763 120.570 0.015 0.000 2.441 559 I HA -0.026 4.102 4.170 -0.070 0.000 0.287 559 I C 1.504 177.656 176.117 0.058 0.000 1.049 559 I CA 0.254 61.567 61.300 0.022 0.000 1.381 559 I CB 1.545 39.558 38.000 0.021 0.000 1.409 559 I HN 0.191 nan 8.210 nan 0.000 0.523 560 T N 1.429 116.038 114.554 0.090 0.000 3.010 560 T HA 0.291 4.600 4.350 -0.070 0.000 0.257 560 T C 0.499 175.282 174.700 0.138 0.000 1.020 560 T CA -0.213 61.942 62.100 0.092 0.000 0.938 560 T CB 0.109 69.021 68.868 0.073 0.000 1.049 560 T HN 0.356 nan 8.240 nan 0.000 0.522 561 K N 2.282 122.821 120.400 0.232 0.000 2.413 561 K HA 0.660 4.938 4.320 -0.070 0.000 0.257 561 K C -0.949 175.916 176.600 0.442 0.000 0.946 561 K CA -0.720 55.764 56.287 0.328 0.000 0.823 561 K CB 2.821 35.585 32.500 0.440 0.000 1.109 561 K HN 0.253 nan 8.250 nan 0.000 0.427 562 V N -0.607 119.454 119.914 0.245 0.000 3.114 562 V HA 0.643 4.722 4.120 -0.070 0.000 0.308 562 V C -2.808 173.073 176.094 -0.356 0.000 1.168 562 V CA -2.475 59.846 62.300 0.037 0.000 1.015 562 V CB 2.273 34.098 31.823 0.004 0.000 1.050 562 V HN 0.527 nan 8.190 nan 0.000 0.433 563 P HA 0.298 nan 4.420 nan 0.000 0.276 563 P C 0.108 177.174 177.300 -0.389 0.000 1.252 563 P CA -0.284 62.394 63.100 -0.704 0.000 0.802 563 P CB 1.664 32.885 31.700 -0.800 0.000 1.035 564 L N 0.453 121.443 121.223 -0.389 0.000 2.162 564 L HA 0.058 4.356 4.340 -0.070 0.000 0.205 564 L C 1.206 177.760 176.870 -0.527 0.000 1.086 564 L CA 1.543 56.103 54.840 -0.467 0.000 0.778 564 L CB -1.198 40.498 42.059 -0.604 0.000 0.928 564 L HN 0.414 nan 8.230 nan 0.000 0.446 565 H N -0.917 118.090 119.070 -0.105 0.000 2.632 565 H HA 0.411 4.924 4.556 -0.070 0.000 0.258 565 H C 1.098 176.376 175.328 -0.084 0.000 1.278 565 H CA 0.190 56.208 56.048 -0.050 0.000 1.352 565 H CB 0.812 30.561 29.762 -0.022 0.000 1.418 565 H HN 0.057 nan 8.280 nan 0.000 0.513 566 A N 2.222 125.000 122.820 -0.070 0.000 2.076 566 A HA -0.148 4.130 4.320 -0.070 0.000 0.220 566 A C 1.363 178.798 177.584 -0.247 0.000 1.160 566 A CA 1.091 53.004 52.037 -0.207 0.000 0.653 566 A CB -0.517 18.312 19.000 -0.285 0.000 0.801 566 A HN 0.401 nan 8.150 nan 0.000 0.455 567 F N 0.242 120.201 119.950 0.015 0.000 2.512 567 F HA 0.054 4.534 4.527 -0.078 0.000 0.296 567 F C 1.655 177.467 175.800 0.020 0.000 1.110 567 F CA 0.733 58.764 58.000 0.051 0.000 1.446 567 F CB -0.138 38.914 39.000 0.088 0.000 1.092 567 F HN 0.435 nan 8.300 nan 0.000 0.554 568 Q N 0.838 120.728 119.800 0.149 0.000 2.249 568 Q HA 0.619 4.917 4.340 -0.070 0.000 0.226 568 Q C -0.222 175.810 176.000 0.053 0.000 0.983 568 Q CA -0.878 54.959 55.803 0.057 0.000 0.930 568 Q CB 1.079 29.832 28.738 0.026 0.000 1.193 568 Q HN 0.074 nan 8.270 nan 0.000 0.508 569 A N 1.988 124.833 122.820 0.042 0.000 2.491 569 A HA 0.229 4.507 4.320 -0.070 0.000 0.261 569 A C -0.872 176.758 177.584 0.077 0.000 1.101 569 A CA -0.314 51.763 52.037 0.067 0.000 0.772 569 A CB -0.666 18.370 19.000 0.059 0.000 1.043 569 A HN 0.774 nan 8.150 nan 0.000 0.501 570 N N 2.312 121.077 118.700 0.108 0.000 2.314 570 N HA 0.322 5.020 4.740 -0.070 0.000 0.294 570 N C -1.265 174.422 175.510 0.294 0.000 1.029 570 N CA -0.748 52.384 53.050 0.138 0.000 0.845 570 N CB 1.485 39.960 38.487 -0.020 0.000 1.321 570 N HN 0.648 nan 8.380 nan 0.000 0.481 571 N N 1.589 120.454 118.700 0.275 0.000 2.426 571 N HA 0.114 4.812 4.740 -0.070 0.000 0.275 571 N C -1.256 174.423 175.510 0.282 0.000 1.019 571 N CA -0.261 52.941 53.050 0.252 0.000 0.941 571 N CB 1.318 39.908 38.487 0.171 0.000 1.123 571 N HN 0.511 nan 8.380 nan 0.000 0.486 572 Y N 3.889 124.138 120.300 -0.085 0.000 2.299 572 Y HA 0.293 4.800 4.550 -0.072 0.000 0.326 572 Y C -1.153 174.667 175.900 -0.133 0.000 1.164 572 Y CA -1.336 56.523 58.100 -0.401 0.000 1.234 572 Y CB 1.028 38.919 38.460 -0.949 0.000 1.219 572 Y HN 0.479 nan 8.280 nan 0.000 0.497 573 P HA -0.020 nan 4.420 nan 0.000 0.245 573 P C 1.014 178.138 177.300 -0.292 0.000 1.199 573 P CA 0.969 63.438 63.100 -1.051 0.000 0.807 573 P CB 0.194 31.259 31.700 -1.059 0.000 1.002 574 H N 1.864 120.839 119.070 -0.158 0.000 2.321 574 H HA -0.147 4.368 4.556 -0.068 0.000 0.295 574 H C 0.984 176.328 175.328 0.027 0.000 1.102 574 H CA 2.309 58.329 56.048 -0.047 0.000 1.266 574 H CB -0.433 29.316 29.762 -0.022 0.000 1.363 574 H HN -0.014 nan 8.280 nan 0.000 0.492 575 D N -0.682 119.689 120.400 -0.048 0.000 2.340 575 D HA 0.008 4.606 4.640 -0.070 0.000 0.220 575 D C -0.519 175.704 176.300 -0.129 0.000 1.039 575 D CA 0.170 54.083 54.000 -0.146 0.000 0.866 575 D CB -0.109 40.668 40.800 -0.038 0.000 0.913 575 D HN 0.202 nan 8.370 nan 0.000 0.523 576 F N 1.084 120.935 119.950 -0.165 0.000 2.415 576 F HA 0.244 4.731 4.527 -0.066 0.000 0.348 576 F C 0.726 176.473 175.800 -0.088 0.000 1.119 576 F CA -1.310 56.634 58.000 -0.093 0.000 1.069 576 F CB 1.323 40.324 39.000 0.001 0.000 1.124 576 F HN -0.306 nan 8.300 nan 0.000 0.472 577 V N -0.497 119.434 119.914 0.028 0.000 3.177 577 V HA 0.536 4.614 4.120 -0.070 0.000 0.319 577 V C -0.367 175.759 176.094 0.053 0.000 1.125 577 V CA -0.971 61.335 62.300 0.009 0.000 1.029 577 V CB 1.855 33.644 31.823 -0.057 0.000 1.119 577 V HN 0.694 nan 8.190 nan 0.000 0.452 578 D N -0.066 120.355 120.400 0.034 0.000 2.304 578 D HA 0.137 4.735 4.640 -0.070 0.000 0.250 578 D C 0.983 177.295 176.300 0.020 0.000 1.107 578 D CA -0.103 53.923 54.000 0.044 0.000 0.885 578 D CB 1.849 42.668 40.800 0.031 0.000 1.192 578 D HN 0.742 nan 8.370 nan 0.000 0.436 579 c N 2.094 120.711 118.600 0.028 0.000 2.398 579 c HA -0.141 4.387 4.570 -0.070 0.000 0.282 579 c C 2.553 176.638 174.090 -0.009 0.000 1.275 579 c CA 0.844 57.176 56.329 0.005 0.000 1.797 579 c CB -0.962 41.554 42.510 0.009 0.000 1.991 579 c HN 0.601 nan 8.230 nan 0.000 0.505 580 S N -0.315 115.383 115.700 -0.003 0.000 2.561 580 S HA -0.083 4.345 4.470 -0.070 0.000 0.225 580 S C 1.569 176.161 174.600 -0.013 0.000 0.977 580 S CA 1.090 59.285 58.200 -0.008 0.000 0.926 580 S CB -0.251 62.948 63.200 -0.002 0.000 0.769 580 S HN 0.758 nan 8.310 nan 0.000 0.533 581 T N 1.187 115.731 114.554 -0.017 0.000 3.081 581 T HA 0.194 4.502 4.350 -0.070 0.000 0.250 581 T C 0.508 175.187 174.700 -0.035 0.000 1.100 581 T CA 0.155 62.241 62.100 -0.024 0.000 1.038 581 T CB 0.175 69.026 68.868 -0.028 0.000 0.962 581 T HN 0.085 nan 8.240 nan 0.000 0.516 582 V N 2.721 122.613 119.914 -0.037 0.000 2.481 582 V HA 0.238 4.316 4.120 -0.070 0.000 0.286 582 V C -0.170 175.901 176.094 -0.038 0.000 1.042 582 V CA -1.161 61.110 62.300 -0.048 0.000 0.928 582 V CB 1.300 33.089 31.823 -0.057 0.000 0.986 582 V HN 0.251 nan 8.190 nan 0.000 0.462 583 D N 3.972 124.350 120.400 -0.036 0.000 2.533 583 D HA 0.105 4.703 4.640 -0.070 0.000 0.236 583 D C 0.200 176.483 176.300 -0.028 0.000 1.137 583 D CA 0.786 54.771 54.000 -0.025 0.000 0.867 583 D CB 0.418 41.206 40.800 -0.019 0.000 1.170 583 D HN 0.424 nan 8.370 nan 0.000 0.474 584 K N 1.218 121.603 120.400 -0.024 0.000 2.139 584 K HA 0.392 4.670 4.320 -0.070 0.000 0.243 584 K C -0.374 176.210 176.600 -0.027 0.000 0.983 584 K CA -1.180 55.087 56.287 -0.034 0.000 0.890 584 K CB 1.388 33.867 32.500 -0.036 0.000 1.090 584 K HN 0.236 nan 8.250 nan 0.000 0.445 585 L N 2.226 123.422 121.223 -0.045 0.000 2.433 585 L HA 0.054 4.352 4.340 -0.070 0.000 0.275 585 L C -0.540 176.310 176.870 -0.032 0.000 1.128 585 L CA 0.292 55.105 54.840 -0.046 0.000 0.875 585 L CB 0.138 42.136 42.059 -0.103 0.000 1.171 585 L HN 0.425 nan 8.230 nan 0.000 0.463 586 D N 4.486 124.903 120.400 0.029 0.000 2.365 586 D HA 0.137 4.735 4.640 -0.070 0.000 0.237 586 D C 0.676 177.064 176.300 0.146 0.000 1.190 586 D CA 0.114 54.153 54.000 0.066 0.000 0.867 586 D CB 0.532 41.383 40.800 0.084 0.000 1.050 586 D HN 0.633 nan 8.370 nan 0.000 0.491 587 L N 2.802 124.069 121.223 0.072 0.000 2.612 587 L HA 0.004 4.302 4.340 -0.070 0.000 0.230 587 L C 2.149 179.206 176.870 0.312 0.000 1.140 587 L CA 0.063 54.980 54.840 0.128 0.000 0.896 587 L CB -0.267 41.716 42.059 -0.127 0.000 1.065 587 L HN 0.403 nan 8.230 nan 0.000 0.447 588 S N 0.176 116.008 115.700 0.220 0.000 2.399 588 S HA -0.064 4.364 4.470 -0.070 0.000 0.231 588 S C -0.547 174.175 174.600 0.203 0.000 1.022 588 S CA 0.575 58.874 58.200 0.165 0.000 0.983 588 S CB -1.396 61.861 63.200 0.095 0.000 0.803 588 S HN 0.232 nan 8.310 nan 0.000 0.480 589 P HA 0.005 nan 4.420 nan 0.000 0.231 589 P C 0.541 177.839 177.300 -0.003 0.000 1.158 589 P CA 0.708 63.845 63.100 0.061 0.000 0.763 589 P CB -0.228 31.430 31.700 -0.069 0.000 0.805 590 W N -0.657 120.694 121.300 0.085 0.000 3.278 590 W HA 0.399 5.030 4.660 -0.048 0.000 0.308 590 W C 0.465 177.010 176.519 0.043 0.000 1.253 590 W CA -0.468 56.959 57.345 0.136 0.000 1.759 590 W CB 0.113 29.672 29.460 0.164 0.000 1.093 590 W HN -0.144 nan 8.180 nan 0.000 0.648 591 A N 1.666 124.583 122.820 0.161 0.000 2.450 591 A HA 0.334 4.612 4.320 -0.070 0.000 0.255 591 A C 0.586 178.195 177.584 0.042 0.000 1.096 591 A CA 0.245 52.294 52.037 0.020 0.000 0.778 591 A CB 0.256 19.267 19.000 0.019 0.000 1.031 591 A HN 0.079 nan 8.150 nan 0.000 0.494 592 S N 2.447 118.159 115.700 0.021 0.000 2.664 592 S HA 0.800 5.228 4.470 -0.070 0.000 0.304 592 S C -0.340 174.311 174.600 0.085 0.000 1.099 592 S CA -0.883 57.391 58.200 0.123 0.000 1.003 592 S CB 1.373 64.748 63.200 0.291 0.000 1.092 592 S HN 0.655 nan 8.310 nan 0.000 0.525 593 R N 0.951 121.499 120.500 0.080 0.000 2.721 593 R HA 0.234 4.532 4.340 -0.070 0.000 0.272 593 R C -0.618 175.699 176.300 0.027 0.000 1.721 593 R CA -0.249 55.863 56.100 0.021 0.000 1.325 593 R CB 1.035 31.341 30.300 0.010 0.000 1.271 593 R HN 0.724 nan 8.270 nan 0.000 0.556 594 E N 1.320 121.525 120.200 0.008 0.000 2.321 594 E HA 0.006 4.314 4.350 -0.070 0.000 0.189 594 E C 0.002 176.602 176.600 0.000 0.000 1.125 594 E CA 0.161 56.580 56.400 0.030 0.000 1.005 594 E CB 0.078 29.817 29.700 0.066 0.000 1.140 594 E HN 0.401 nan 8.360 nan 0.000 0.457 595 N N 0.000 118.693 118.700 -0.011 0.000 1.763 595 N HA 0.000 4.698 4.740 -0.070 0.000 0.220 595 N CA 0.000 53.044 53.050 -0.011 0.000 0.885 595 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667