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 3faq_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 GIDPLTRGLL DATA SEQUENCE AKKSKLMNQD KMVTSELRNK LFQPTHKIHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQTV LKNKILAKKL MDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKFSFS 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 0.000 174.688 174.600 0.146 0.000 1.055 1 S CA 0.000 58.272 58.200 0.120 0.000 1.107 1 S CB 0.000 63.237 63.200 0.062 0.000 0.593 2 W N 3.339 124.651 121.300 0.019 0.000 2.430 2 W HA -0.001 4.641 4.660 -0.029 0.000 0.346 2 W C 0.664 177.200 176.519 0.028 0.000 1.230 2 W CA 1.010 58.369 57.345 0.023 0.000 1.367 2 W CB 0.314 29.791 29.460 0.028 0.000 1.204 2 W HN 0.872 nan 8.180 nan 0.000 0.599 3 E N 1.261 120.661 120.200 -1.333 0.000 2.436 3 E HA 0.013 4.346 4.350 -0.029 0.000 0.262 3 E C 0.367 176.807 176.600 -0.266 0.000 1.063 3 E CA 0.315 56.219 56.400 -0.827 0.000 0.944 3 E CB 0.805 29.878 29.700 -1.046 0.000 0.950 3 E HN 0.328 nan 8.360 nan 0.000 0.444 4 V N 0.829 120.675 119.914 -0.113 0.000 2.988 4 V HA 0.564 4.667 4.120 -0.029 0.000 0.356 4 V C 0.066 176.180 176.094 0.033 0.000 1.380 4 V CA 0.369 62.680 62.300 0.018 0.000 1.184 4 V CB 0.379 32.215 31.823 0.023 0.000 1.204 4 V HN 0.589 nan 8.190 nan 0.000 0.530 5 G N -0.478 108.333 108.800 0.020 0.000 3.748 5 G HA2 0.427 4.370 3.960 -0.029 0.000 0.292 5 G HA3 0.427 4.370 3.960 -0.029 0.000 0.292 5 G C -0.953 173.973 174.900 0.043 0.000 3.340 5 G CA 0.056 45.179 45.100 0.037 0.000 0.603 5 G HN 0.355 nan 8.290 nan 0.000 0.290 6 C N 0.294 119.647 119.300 0.090 0.000 2.531 6 C HA 1.090 5.533 4.460 -0.029 0.000 0.369 6 C C 0.887 175.923 174.990 0.077 0.000 1.258 6 C CA 1.009 60.093 59.018 0.110 0.000 1.876 6 C CB 1.396 29.263 27.740 0.211 0.000 2.256 6 C HN 1.767 nan 8.230 nan 0.000 0.510 7 G N -0.265 108.569 108.800 0.057 0.000 2.361 7 G HA2 0.515 4.458 3.960 -0.029 0.000 0.305 7 G HA3 0.515 4.458 3.960 -0.029 0.000 0.305 7 G C -1.008 173.882 174.900 -0.017 0.000 1.367 7 G CA 0.184 45.290 45.100 0.010 0.000 0.951 7 G HN 1.500 nan 8.290 nan 0.000 0.615 8 A N 0.619 123.409 122.820 -0.050 0.000 2.812 8 A HA 0.743 5.046 4.320 -0.029 0.000 0.294 8 A C -1.207 176.348 177.584 -0.049 0.000 1.014 8 A CA -0.463 51.536 52.037 -0.063 0.000 1.024 8 A CB -0.133 18.796 19.000 -0.118 0.000 1.162 8 A HN 0.500 nan 8.150 nan 0.000 0.511 9 P HA 0.188 nan 4.420 nan 0.000 0.286 9 P C -0.120 177.178 177.300 -0.003 0.000 1.278 9 P CA -0.047 63.049 63.100 -0.007 0.000 0.785 9 P CB 0.375 32.083 31.700 0.012 0.000 1.269 10 V N 1.178 121.100 119.914 0.014 0.000 2.385 10 V HA 0.134 4.237 4.120 -0.029 0.000 0.269 10 V C -1.436 174.672 176.094 0.023 0.000 1.043 10 V CA -0.985 61.328 62.300 0.020 0.000 0.906 10 V CB -0.004 31.840 31.823 0.035 0.000 0.995 10 V HN 0.560 nan 8.190 nan 0.000 0.467 11 P HA -0.038 nan 4.420 nan 0.000 0.230 11 P C 0.361 177.674 177.300 0.022 0.000 1.291 11 P CA -0.130 62.980 63.100 0.016 0.000 0.702 11 P CB -0.009 31.697 31.700 0.010 0.000 0.903 12 L N -0.268 120.966 121.223 0.019 0.000 5.843 12 L HA -0.150 4.173 4.340 -0.029 0.000 0.338 12 L C 1.463 178.349 176.870 0.026 0.000 1.511 12 L CA -0.090 54.761 54.840 0.020 0.000 0.980 12 L CB -1.327 40.741 42.059 0.016 0.000 1.580 12 L HN 0.059 nan 8.230 nan 0.000 0.314 13 V N 1.367 121.299 119.914 0.030 0.000 2.256 13 V HA -0.115 3.988 4.120 -0.029 0.000 0.240 13 V C 1.408 177.524 176.094 0.037 0.000 1.036 13 V CA 0.656 62.978 62.300 0.038 0.000 1.008 13 V CB -0.269 31.580 31.823 0.045 0.000 0.648 13 V HN 0.787 nan 8.190 nan 0.000 0.453 14 K N 0.843 121.263 120.400 0.034 0.000 5.275 14 K HA -0.216 4.087 4.320 -0.029 0.000 0.346 14 K C -0.256 176.365 176.600 0.035 0.000 0.796 14 K CA 0.272 56.578 56.287 0.032 0.000 1.003 14 K CB -1.481 31.035 32.500 0.026 0.000 1.951 14 K HN 0.593 nan 8.250 nan 0.000 0.372 15 c N 1.648 120.273 118.600 0.041 0.000 2.644 15 c HA 0.044 4.597 4.570 -0.029 0.000 0.417 15 c C 2.127 176.240 174.090 0.038 0.000 1.304 15 c CA -0.598 55.758 56.329 0.046 0.000 2.035 15 c CB 0.672 43.215 42.510 0.055 0.000 2.673 15 c HN 0.668 nan 8.230 nan 0.000 0.602 16 D N 0.703 121.126 120.400 0.039 0.000 2.289 16 D HA -0.065 4.558 4.640 -0.029 0.000 0.207 16 D C 1.095 177.411 176.300 0.027 0.000 0.966 16 D CA 0.531 54.548 54.000 0.029 0.000 0.868 16 D CB -0.030 40.785 40.800 0.026 0.000 0.943 16 D HN 0.796 nan 8.370 nan 0.000 0.514 17 E N -0.719 119.503 120.200 0.038 0.000 2.450 17 E HA -0.292 4.041 4.350 -0.029 0.000 0.244 17 E C -0.003 176.604 176.600 0.011 0.000 1.226 17 E CA 0.720 57.138 56.400 0.029 0.000 0.720 17 E CB -1.318 28.396 29.700 0.023 0.000 1.254 17 E HN 0.445 nan 8.360 nan 0.000 0.399 18 N N -1.673 117.033 118.700 0.009 0.000 1.839 18 N HA -0.024 4.699 4.740 -0.029 0.000 0.232 18 N C -0.562 174.925 175.510 -0.040 0.000 1.425 18 N CA 0.281 53.321 53.050 -0.017 0.000 0.743 18 N CB 0.857 39.334 38.487 -0.017 0.000 1.044 18 N HN 0.022 nan 8.380 nan 0.000 0.519 19 S N 1.927 117.614 115.700 -0.023 0.000 2.549 19 S HA 0.144 4.597 4.470 -0.029 0.000 0.286 19 S C -1.724 172.814 174.600 -0.104 0.000 1.314 19 S CA -0.851 57.302 58.200 -0.078 0.000 1.062 19 S CB 0.669 63.857 63.200 -0.021 0.000 0.865 19 S HN 0.122 nan 8.310 nan 0.000 0.498 20 P HA 0.179 nan 4.420 nan 0.000 0.257 20 P C -1.049 176.021 177.300 -0.383 0.000 1.281 20 P CA 0.112 62.998 63.100 -0.357 0.000 0.826 20 P CB -0.019 31.318 31.700 -0.606 0.000 1.237 21 Y N -0.070 120.147 120.300 -0.139 0.000 2.446 21 Y HA 0.441 4.974 4.550 -0.029 0.000 0.345 21 Y C 1.229 176.787 175.900 -0.571 0.000 0.984 21 Y CA -1.695 56.194 58.100 -0.352 0.000 1.058 21 Y CB 1.184 39.506 38.460 -0.229 0.000 1.220 21 Y HN -0.299 nan 8.280 nan 0.000 0.455 22 R N 0.509 120.640 120.500 -0.616 0.000 2.738 22 R HA 0.301 4.624 4.340 -0.029 0.000 0.268 22 R C 0.399 176.563 176.300 -0.226 0.000 1.062 22 R CA -0.037 55.699 56.100 -0.606 0.000 1.158 22 R CB 0.386 30.398 30.300 -0.479 0.000 1.046 22 R HN 0.838 nan 8.270 nan 0.000 0.493 23 T N -1.697 112.784 114.554 -0.121 0.000 2.810 23 T HA 0.206 4.538 4.350 -0.029 0.000 0.277 23 T C 1.408 176.110 174.700 0.003 0.000 0.973 23 T CA -0.898 61.188 62.100 -0.024 0.000 0.949 23 T CB 0.653 69.536 68.868 0.024 0.000 1.075 23 T HN 0.268 nan 8.240 nan 0.000 0.537 24 I N 1.207 121.799 120.570 0.038 0.000 2.400 24 I HA -0.042 4.111 4.170 -0.029 0.000 0.248 24 I C 2.847 179.022 176.117 0.097 0.000 1.109 24 I CA 1.571 62.910 61.300 0.066 0.000 1.425 24 I CB -1.611 36.430 38.000 0.069 0.000 1.094 24 I HN 0.954 nan 8.210 nan 0.000 0.425 25 T N -1.554 113.056 114.554 0.094 0.000 3.113 25 T HA 0.110 4.442 4.350 -0.029 0.000 0.263 25 T C 1.632 176.425 174.700 0.154 0.000 1.143 25 T CA 0.856 63.023 62.100 0.111 0.000 1.090 25 T CB -0.163 68.760 68.868 0.091 0.000 0.922 25 T HN 0.492 nan 8.240 nan 0.000 0.521 26 G N 0.888 109.800 108.800 0.187 0.000 2.199 26 G HA2 -0.219 3.724 3.960 -0.029 0.000 0.254 26 G HA3 -0.219 3.724 3.960 -0.029 0.000 0.254 26 G C -0.169 174.922 174.900 0.320 0.000 0.982 26 G CA 0.040 45.339 45.100 0.331 0.000 0.632 26 G HN 0.582 nan 8.290 nan 0.000 0.529 27 D N -0.641 119.875 120.400 0.193 0.000 2.382 27 D HA 0.378 5.001 4.640 -0.029 0.000 0.240 27 D C 1.524 177.910 176.300 0.144 0.000 1.146 27 D CA 0.946 55.043 54.000 0.162 0.000 0.897 27 D CB 0.953 41.820 40.800 0.111 0.000 1.197 27 D HN 0.715 nan 8.370 nan 0.000 0.432 28 c N 1.015 119.700 118.600 0.142 0.000 4.784 28 c HA -0.184 4.369 4.570 -0.029 0.000 0.261 28 c C 2.050 176.226 174.090 0.143 0.000 1.492 28 c CA 0.140 56.544 56.329 0.126 0.000 1.622 28 c CB -2.471 40.098 42.510 0.099 0.000 1.855 28 c HN 0.786 nan 8.230 nan 0.000 0.662 29 N N 2.091 120.882 118.700 0.152 0.000 2.006 29 N HA -0.132 4.591 4.740 -0.029 0.000 0.196 29 N C 0.487 176.059 175.510 0.103 0.000 1.057 29 N CA 1.603 54.703 53.050 0.084 0.000 0.853 29 N CB -0.302 38.081 38.487 -0.174 0.000 1.051 29 N HN 0.806 nan 8.380 nan 0.000 0.423 30 N N 1.156 119.974 118.700 0.198 0.000 2.420 30 N HA -0.008 4.715 4.740 -0.029 0.000 0.262 30 N C 0.731 176.339 175.510 0.162 0.000 1.144 30 N CA 0.062 53.248 53.050 0.228 0.000 0.952 30 N CB 0.588 39.233 38.487 0.263 0.000 1.081 30 N HN 0.205 nan 8.380 nan 0.000 0.480 31 R N 2.493 123.079 120.500 0.142 0.000 2.189 31 R HA -0.049 4.274 4.340 -0.029 0.000 0.223 31 R C 1.807 178.160 176.300 0.089 0.000 1.092 31 R CA 1.168 57.328 56.100 0.100 0.000 0.989 31 R CB 0.187 30.538 30.300 0.085 0.000 0.876 31 R HN 0.558 nan 8.270 nan 0.000 0.457 32 R N -1.323 119.236 120.500 0.098 0.000 2.237 32 R HA 0.126 4.449 4.340 -0.029 0.000 0.195 32 R C -0.164 176.181 176.300 0.076 0.000 0.956 32 R CA 0.560 56.705 56.100 0.075 0.000 1.029 32 R CB 0.688 31.028 30.300 0.066 0.000 0.972 32 R HN -0.078 nan 8.270 nan 0.000 0.493 33 S N 0.597 116.355 115.700 0.096 0.000 2.386 33 S HA 0.276 4.729 4.470 -0.029 0.000 0.152 33 S C -2.205 172.467 174.600 0.120 0.000 1.511 33 S CA -1.333 56.925 58.200 0.096 0.000 1.246 33 S CB 1.320 64.577 63.200 0.096 0.000 1.338 33 S HN 0.063 nan 8.310 nan 0.000 0.409 34 P HA -0.072 nan 4.420 nan 0.000 0.220 34 P C 0.992 178.375 177.300 0.138 0.000 1.144 34 P CA 1.030 64.203 63.100 0.123 0.000 0.800 34 P CB 0.120 31.877 31.700 0.095 0.000 0.772 35 A N -1.231 121.663 122.820 0.123 0.000 2.195 35 A HA 0.125 4.428 4.320 -0.029 0.000 0.210 35 A C 0.993 178.658 177.584 0.135 0.000 1.165 35 A CA -0.137 51.971 52.037 0.119 0.000 0.806 35 A CB -0.688 18.365 19.000 0.088 0.000 0.847 35 A HN 0.094 nan 8.150 nan 0.000 0.482 36 L N 0.852 122.168 121.223 0.154 0.000 2.562 36 L HA 0.393 4.716 4.340 -0.029 0.000 0.271 36 L C 1.419 178.401 176.870 0.187 0.000 1.167 36 L CA 1.606 56.538 54.840 0.154 0.000 0.917 36 L CB -0.184 41.977 42.059 0.170 0.000 1.187 36 L HN 0.648 nan 8.230 nan 0.000 0.482 37 G N 2.707 111.528 108.800 0.036 0.000 2.234 37 G HA2 -0.198 3.745 3.960 -0.029 0.000 0.235 37 G HA3 -0.198 3.745 3.960 -0.029 0.000 0.235 37 G C 0.556 175.385 174.900 -0.119 0.000 0.997 37 G CA 0.173 45.135 45.100 -0.230 0.000 0.623 37 G HN 1.068 nan 8.290 nan 0.000 0.514 38 A N 0.551 123.427 122.820 0.092 0.000 2.429 38 A HA 0.769 5.071 4.320 -0.029 0.000 0.242 38 A C 1.130 178.752 177.584 0.064 0.000 1.088 38 A CA 1.198 53.310 52.037 0.124 0.000 0.784 38 A CB 0.146 19.225 19.000 0.131 0.000 1.038 38 A HN 2.139 nan 8.150 nan 0.000 0.501 39 A N 0.631 123.501 122.820 0.083 0.000 2.351 39 A HA 0.488 4.791 4.320 -0.029 0.000 0.257 39 A C 0.853 178.466 177.584 0.048 0.000 1.087 39 A CA 0.177 52.255 52.037 0.069 0.000 0.798 39 A CB -0.216 18.841 19.000 0.095 0.000 1.033 39 A HN 1.202 nan 8.150 nan 0.000 0.488 40 N N -0.657 118.061 118.700 0.030 0.000 2.829 40 N HA -0.120 4.602 4.740 -0.029 0.000 0.250 40 N C -0.278 175.228 175.510 -0.007 0.000 1.090 40 N CA 0.879 53.930 53.050 0.001 0.000 0.781 40 N CB -0.559 37.929 38.487 0.001 0.000 1.124 40 N HN 0.682 nan 8.380 nan 0.000 0.559 41 R N 0.329 120.832 120.500 0.005 0.000 2.893 41 R HA 0.721 5.044 4.340 -0.029 0.000 0.245 41 R C 0.328 176.632 176.300 0.007 0.000 1.192 41 R CA -0.337 55.769 56.100 0.010 0.000 1.077 41 R CB 0.493 30.808 30.300 0.026 0.000 1.253 41 R HN 0.125 nan 8.270 nan 0.000 0.505 42 A N 1.144 123.977 122.820 0.021 0.000 2.407 42 A HA 0.325 4.627 4.320 -0.029 0.000 0.248 42 A C 0.360 177.964 177.584 0.032 0.000 1.082 42 A CA -0.310 51.746 52.037 0.032 0.000 0.785 42 A CB 0.029 19.062 19.000 0.055 0.000 1.020 42 A HN 0.517 nan 8.150 nan 0.000 0.489 43 L N 0.941 122.186 121.223 0.038 0.000 2.476 43 L HA 0.386 4.708 4.340 -0.029 0.000 0.264 43 L C 1.141 178.021 176.870 0.016 0.000 1.224 43 L CA -0.041 54.809 54.840 0.017 0.000 0.821 43 L CB 0.404 42.486 42.059 0.038 0.000 1.101 43 L HN 0.833 nan 8.230 nan 0.000 0.488 44 A N 1.594 124.396 122.820 -0.029 0.000 2.287 44 A HA 0.561 4.864 4.320 -0.029 0.000 0.273 44 A C -0.248 177.324 177.584 -0.020 0.000 1.091 44 A CA -0.446 51.593 52.037 0.004 0.000 0.817 44 A CB 0.455 19.473 19.000 0.030 0.000 1.069 44 A HN 0.611 nan 8.150 nan 0.000 0.492 45 R N 0.871 121.427 120.500 0.093 0.000 2.358 45 R HA 0.115 4.438 4.340 -0.029 0.000 0.309 45 R C -0.452 176.030 176.300 0.303 0.000 1.026 45 R CA -0.382 55.798 56.100 0.134 0.000 0.909 45 R CB 0.667 31.048 30.300 0.136 0.000 1.153 45 R HN 0.948 nan 8.270 nan 0.000 0.515 46 W N 1.971 123.337 121.300 0.110 0.000 2.519 46 W HA 0.100 4.742 4.660 -0.030 0.000 0.266 46 W C 0.537 177.070 176.519 0.023 0.000 1.253 46 W CA 0.402 57.799 57.345 0.086 0.000 1.274 46 W CB 0.015 29.476 29.460 0.001 0.000 1.114 46 W HN 0.272 nan 8.180 nan 0.000 0.596 47 L N -0.861 120.480 121.223 0.197 0.000 2.415 47 L HA 0.340 4.663 4.340 -0.029 0.000 0.256 47 L C -2.221 174.670 176.870 0.034 0.000 1.010 47 L CA -2.100 52.745 54.840 0.008 0.000 0.826 47 L CB 1.962 43.835 42.059 -0.311 0.000 1.405 47 L HN -0.532 nan 8.230 nan 0.000 0.410 48 P HA 0.111 nan 4.420 nan 0.000 0.268 48 P C -0.689 176.606 177.300 -0.009 0.000 1.205 48 P CA -0.138 62.972 63.100 0.017 0.000 0.771 48 P CB 0.666 32.372 31.700 0.010 0.000 0.858 49 A N 3.002 125.819 122.820 -0.006 0.000 2.483 49 A HA 0.109 4.412 4.320 -0.029 0.000 0.238 49 A C 0.115 177.617 177.584 -0.138 0.000 1.070 49 A CA 0.106 52.076 52.037 -0.112 0.000 0.770 49 A CB -0.088 18.829 19.000 -0.138 0.000 1.008 49 A HN 0.568 nan 8.150 nan 0.000 0.497 50 E N 0.676 120.740 120.200 -0.227 0.000 2.207 50 E HA 0.434 4.767 4.350 -0.029 0.000 0.250 50 E C -1.764 174.805 176.600 -0.051 0.000 0.890 50 E CA -0.033 56.346 56.400 -0.034 0.000 0.749 50 E CB 1.139 30.884 29.700 0.075 0.000 1.193 50 E HN 0.622 nan 8.360 nan 0.000 0.423 51 Y N 0.488 120.832 120.300 0.074 0.000 2.587 51 Y HA 0.139 4.672 4.550 -0.028 0.000 0.337 51 Y C 1.568 177.193 175.900 -0.459 0.000 1.065 51 Y CA -0.884 57.122 58.100 -0.156 0.000 1.126 51 Y CB 1.263 39.614 38.460 -0.182 0.000 1.279 51 Y HN 0.474 nan 8.280 nan 0.000 0.489 52 E N 0.622 120.474 120.200 -0.580 0.000 2.033 52 E HA -0.247 4.086 4.350 -0.029 0.000 0.199 52 E C 0.575 176.983 176.600 -0.321 0.000 1.011 52 E CA 2.037 58.008 56.400 -0.714 0.000 0.815 52 E CB -0.009 29.379 29.700 -0.520 0.000 0.755 52 E HN 0.831 nan 8.360 nan 0.000 0.451 53 D N -1.454 118.799 120.400 -0.246 0.000 2.325 53 D HA 0.079 4.702 4.640 -0.029 0.000 0.234 53 D C 1.047 177.277 176.300 -0.116 0.000 1.122 53 D CA 0.661 54.557 54.000 -0.174 0.000 0.850 53 D CB 0.126 40.802 40.800 -0.206 0.000 0.921 53 D HN 0.399 nan 8.370 nan 0.000 0.513 54 G N 0.061 108.825 108.800 -0.060 0.000 2.175 54 G HA2 -0.335 3.608 3.960 -0.029 0.000 0.265 54 G HA3 -0.335 3.608 3.960 -0.029 0.000 0.265 54 G C 0.687 175.610 174.900 0.039 0.000 0.979 54 G CA 0.907 46.019 45.100 0.020 0.000 0.663 54 G HN 0.482 nan 8.290 nan 0.000 0.533 55 L N -2.860 118.330 121.223 -0.054 0.000 2.688 55 L HA 0.619 4.942 4.340 -0.029 0.000 0.216 55 L C 2.215 178.776 176.870 -0.515 0.000 1.036 55 L CA 1.161 55.907 54.840 -0.158 0.000 0.906 55 L CB 0.085 42.016 42.059 -0.213 0.000 1.501 55 L HN 0.428 nan 8.230 nan 0.000 0.489 56 A N -1.160 121.181 122.820 -0.799 0.000 1.998 56 A HA 0.344 4.647 4.320 -0.029 0.000 0.180 56 A C 0.272 177.176 177.584 -1.134 0.000 1.858 56 A CA -0.309 50.951 52.037 -1.294 0.000 1.403 56 A CB 0.180 18.689 19.000 -0.818 0.000 1.550 56 A HN 0.033 nan 8.150 nan 0.000 0.385 57 L N 3.673 124.429 121.223 -0.778 0.000 2.433 57 L HA 0.238 4.561 4.340 -0.029 0.000 0.275 57 L C -1.935 174.665 176.870 -0.450 0.000 1.128 57 L CA -1.627 52.737 54.840 -0.793 0.000 0.875 57 L CB 0.555 42.123 42.059 -0.818 0.000 1.171 57 L HN 0.256 nan 8.230 nan 0.000 0.463 58 P HA -0.053 nan 4.420 nan 0.000 0.271 58 P C -0.541 176.765 177.300 0.010 0.000 1.244 58 P CA -0.126 62.973 63.100 -0.003 0.000 0.793 58 P CB 0.533 32.203 31.700 -0.050 0.000 0.984 59 F N -0.612 119.457 119.950 0.198 0.000 2.418 59 F HA 0.392 4.902 4.527 -0.028 0.000 0.341 59 F C 1.926 177.909 175.800 0.305 0.000 1.120 59 F CA 1.931 60.055 58.000 0.207 0.000 1.232 59 F CB 0.303 39.403 39.000 0.166 0.000 1.175 59 F HN 0.694 nan 8.300 nan 0.000 0.569 60 G N 2.096 111.163 108.800 0.445 0.000 2.234 60 G HA2 -0.302 3.641 3.960 -0.029 0.000 0.235 60 G HA3 -0.302 3.641 3.960 -0.029 0.000 0.235 60 G C 1.144 176.276 174.900 0.386 0.000 0.997 60 G CA 0.262 45.587 45.100 0.376 0.000 0.623 60 G HN 0.768 nan 8.290 nan 0.000 0.514 61 W N 1.841 123.249 121.300 0.179 0.000 2.353 61 W HA 0.048 4.691 4.660 -0.029 0.000 0.319 61 W C 0.307 176.852 176.519 0.044 0.000 1.207 61 W CA 2.016 59.405 57.345 0.074 0.000 1.291 61 W CB -0.513 28.838 29.460 -0.182 0.000 1.159 61 W HN 0.211 nan 8.180 nan 0.000 0.478 62 T N 2.397 117.133 114.554 0.303 0.000 2.747 62 T HA 0.102 4.434 4.350 -0.029 0.000 0.301 62 T C 0.740 175.501 174.700 0.102 0.000 0.952 62 T CA -0.247 61.953 62.100 0.165 0.000 0.983 62 T CB 1.552 70.529 68.868 0.182 0.000 0.930 62 T HN -0.033 nan 8.240 nan 0.000 0.494 63 Q N 2.665 122.495 119.800 0.049 0.000 2.082 63 Q HA -0.239 4.084 4.340 -0.029 0.000 0.211 63 Q C 2.381 178.417 176.000 0.060 0.000 1.002 63 Q CA 1.871 57.702 55.803 0.046 0.000 0.868 63 Q CB -0.185 28.561 28.738 0.013 0.000 0.931 63 Q HN 0.728 nan 8.270 nan 0.000 0.414 64 R N -0.039 120.492 120.500 0.051 0.000 2.316 64 R HA 0.029 4.351 4.340 -0.029 0.000 0.202 64 R C -0.145 176.192 176.300 0.062 0.000 1.029 64 R CA 0.592 56.721 56.100 0.049 0.000 1.018 64 R CB 0.053 30.374 30.300 0.035 0.000 0.888 64 R HN -0.058 nan 8.270 nan 0.000 0.471 65 K N 2.388 122.837 120.400 0.082 0.000 2.263 65 K HA 0.115 4.418 4.320 -0.029 0.000 0.272 65 K C -0.377 176.317 176.600 0.157 0.000 1.033 65 K CA -0.320 56.025 56.287 0.097 0.000 0.884 65 K CB 1.798 34.343 32.500 0.074 0.000 1.107 65 K HN 0.202 nan 8.250 nan 0.000 0.460 66 T N 0.096 114.742 114.554 0.153 0.000 2.847 66 T HA 0.299 4.632 4.350 -0.029 0.000 0.279 66 T C 0.103 174.972 174.700 0.282 0.000 0.984 66 T CA -0.913 61.299 62.100 0.187 0.000 0.988 66 T CB 1.296 70.221 68.868 0.094 0.000 1.040 66 T HN 0.523 nan 8.240 nan 0.000 0.528 67 R N 1.365 122.006 120.500 0.235 0.000 2.272 67 R HA 0.274 4.597 4.340 -0.029 0.000 0.323 67 R C -0.315 176.009 176.300 0.039 0.000 1.002 67 R CA -0.366 55.794 56.100 0.099 0.000 0.900 67 R CB -0.382 29.748 30.300 -0.283 0.000 1.151 67 R HN 0.827 nan 8.270 nan 0.000 0.507 68 N N 3.179 121.893 118.700 0.022 0.000 2.776 68 N HA -0.183 4.540 4.740 -0.029 0.000 0.249 68 N C 0.480 175.858 175.510 -0.220 0.000 1.111 68 N CA 1.406 54.428 53.050 -0.047 0.000 0.711 68 N CB -1.102 37.383 38.487 -0.004 0.000 1.065 68 N HN 1.046 nan 8.380 nan 0.000 0.556 69 G N -1.724 106.956 108.800 -0.200 0.000 2.199 69 G HA2 -0.313 3.630 3.960 -0.029 0.000 0.254 69 G HA3 -0.313 3.630 3.960 -0.029 0.000 0.254 69 G C -0.013 174.617 174.900 -0.451 0.000 0.982 69 G CA 0.493 45.361 45.100 -0.386 0.000 0.632 69 G HN 0.425 nan 8.290 nan 0.000 0.529 70 F N -0.118 119.866 119.950 0.058 0.000 2.579 70 F HA 0.730 5.240 4.527 -0.029 0.000 0.324 70 F C 0.881 176.722 175.800 0.069 0.000 1.058 70 F CA -1.329 56.704 58.000 0.055 0.000 0.944 70 F CB 1.344 40.374 39.000 0.051 0.000 1.245 70 F HN -0.128 nan 8.300 nan 0.000 0.477 71 R N 1.016 121.684 120.500 0.280 0.000 2.390 71 R HA 0.421 4.743 4.340 -0.029 0.000 0.291 71 R C -0.959 175.428 176.300 0.144 0.000 1.070 71 R CA -0.613 55.593 56.100 0.177 0.000 1.014 71 R CB 1.107 31.478 30.300 0.118 0.000 1.007 71 R HN 0.508 nan 8.270 nan 0.000 0.466 72 V N 2.293 122.296 119.914 0.147 0.000 2.555 72 V HA 0.309 4.412 4.120 -0.029 0.000 0.286 72 V C -1.743 174.353 176.094 0.003 0.000 1.044 72 V CA -1.864 60.499 62.300 0.106 0.000 1.026 72 V CB 0.457 32.389 31.823 0.182 0.000 0.981 72 V HN 0.706 nan 8.190 nan 0.000 0.480 73 P HA 0.230 nan 4.420 nan 0.000 0.268 73 P C -0.082 177.134 177.300 -0.140 0.000 1.205 73 P CA -0.425 62.547 63.100 -0.214 0.000 0.771 73 P CB 0.851 32.267 31.700 -0.474 0.000 0.858 74 L N 2.018 123.182 121.223 -0.100 0.000 2.525 74 L HA -0.052 4.271 4.340 -0.029 0.000 0.278 74 L C 2.062 178.885 176.870 -0.079 0.000 1.218 74 L CA -0.145 54.646 54.840 -0.081 0.000 0.878 74 L CB 0.050 42.073 42.059 -0.061 0.000 1.127 74 L HN 0.504 nan 8.230 nan 0.000 0.492 75 A N 3.661 126.428 122.820 -0.087 0.000 1.873 75 A HA -0.248 4.055 4.320 -0.029 0.000 0.218 75 A C 2.258 179.836 177.584 -0.010 0.000 1.193 75 A CA 1.979 53.982 52.037 -0.056 0.000 0.629 75 A CB -0.422 18.496 19.000 -0.136 0.000 0.826 75 A HN 0.865 nan 8.150 nan 0.000 0.447 76 R N 0.114 120.609 120.500 -0.007 0.000 2.193 76 R HA -0.098 4.224 4.340 -0.029 0.000 0.229 76 R C 1.910 178.232 176.300 0.037 0.000 1.110 76 R CA 1.949 58.080 56.100 0.053 0.000 0.988 76 R CB -0.467 29.918 30.300 0.142 0.000 0.871 76 R HN 0.724 nan 8.270 nan 0.000 0.458 77 E N -0.915 119.288 120.200 0.005 0.000 2.170 77 E HA -0.058 4.274 4.350 -0.029 0.000 0.191 77 E C 1.576 178.169 176.600 -0.011 0.000 0.981 77 E CA 0.854 57.246 56.400 -0.012 0.000 0.830 77 E CB 0.252 29.928 29.700 -0.039 0.000 0.775 77 E HN 0.189 nan 8.360 nan 0.000 0.470 78 V N 0.571 120.477 119.914 -0.013 0.000 2.490 78 V HA -0.220 3.882 4.120 -0.029 0.000 0.250 78 V C 2.359 178.505 176.094 0.086 0.000 1.061 78 V CA 1.790 64.103 62.300 0.022 0.000 1.064 78 V CB -0.259 31.601 31.823 0.061 0.000 0.670 78 V HN 0.236 nan 8.190 nan 0.000 0.461 79 S N 0.485 116.241 115.700 0.093 0.000 2.345 79 S HA -0.183 4.270 4.470 -0.029 0.000 0.220 79 S C 1.929 176.579 174.600 0.084 0.000 1.031 79 S CA 1.775 60.046 58.200 0.119 0.000 0.996 79 S CB -0.349 62.916 63.200 0.109 0.000 0.882 79 S HN 0.656 nan 8.310 nan 0.000 0.445 80 N N 1.358 120.085 118.700 0.046 0.000 2.188 80 N HA -0.005 4.718 4.740 -0.029 0.000 0.184 80 N C 1.640 177.166 175.510 0.027 0.000 1.018 80 N CA 0.926 53.990 53.050 0.022 0.000 0.858 80 N CB -0.229 38.254 38.487 -0.007 0.000 0.989 80 N HN 0.410 nan 8.380 nan 0.000 0.426 81 K N 0.287 120.702 120.400 0.025 0.000 2.167 81 K HA 0.147 4.450 4.320 -0.029 0.000 0.203 81 K C 1.847 178.472 176.600 0.040 0.000 1.052 81 K CA 0.582 56.882 56.287 0.022 0.000 0.956 81 K CB 0.308 32.810 32.500 0.004 0.000 0.735 81 K HN 0.259 nan 8.250 nan 0.000 0.451 82 I N -0.383 120.223 120.570 0.060 0.000 3.443 82 I HA -0.090 4.062 4.170 -0.029 0.000 0.277 82 I C 1.864 178.038 176.117 0.095 0.000 1.169 82 I CA 0.191 61.533 61.300 0.070 0.000 1.419 82 I CB 0.348 38.391 38.000 0.072 0.000 1.331 82 I HN -0.281 nan 8.210 nan 0.000 0.458 83 V N 0.977 120.966 119.914 0.125 0.000 2.719 83 V HA 0.097 4.200 4.120 -0.029 0.000 0.252 83 V C 1.331 177.548 176.094 0.206 0.000 1.065 83 V CA 0.926 63.326 62.300 0.167 0.000 1.086 83 V CB -1.168 30.790 31.823 0.225 0.000 0.700 83 V HN 0.388 nan 8.190 nan 0.000 0.467 84 G N -0.563 108.331 108.800 0.156 0.000 2.477 84 G HA2 0.553 4.496 3.960 -0.029 0.000 0.304 84 G HA3 0.553 4.496 3.960 -0.029 0.000 0.304 84 G C -1.031 173.986 174.900 0.195 0.000 1.175 84 G CA -0.228 44.947 45.100 0.124 0.000 0.907 84 G HN 0.472 nan 8.290 nan 0.000 0.509 85 Y N -1.770 118.559 120.300 0.048 0.000 2.656 85 Y HA 0.595 5.128 4.550 -0.027 0.000 0.334 85 Y C -0.201 175.721 175.900 0.038 0.000 1.179 85 Y CA -1.247 56.877 58.100 0.040 0.000 1.050 85 Y CB 1.086 39.571 38.460 0.043 0.000 1.308 85 Y HN 0.306 nan 8.280 nan 0.000 0.456 86 L N 0.052 121.340 121.223 0.109 0.000 2.349 86 L HA 0.172 4.494 4.340 -0.029 0.000 0.200 86 L C 0.111 177.058 176.870 0.129 0.000 1.064 86 L CA 0.341 55.199 54.840 0.030 0.000 0.821 86 L CB 0.244 42.327 42.059 0.040 0.000 1.027 86 L HN 0.689 nan 8.230 nan 0.000 0.476 87 D N 0.905 121.450 120.400 0.242 0.000 2.348 87 D HA -0.026 4.596 4.640 -0.029 0.000 0.259 87 D C 0.625 177.109 176.300 0.306 0.000 1.296 87 D CA 0.352 54.479 54.000 0.211 0.000 0.931 87 D CB 1.455 42.339 40.800 0.140 0.000 1.067 87 D HN -0.004 nan 8.370 nan 0.000 0.503 88 E N 2.080 122.431 120.200 0.252 0.000 2.481 88 E HA -0.041 4.292 4.350 -0.029 0.000 0.195 88 E C 0.155 176.848 176.600 0.155 0.000 1.047 88 E CA 0.145 56.710 56.400 0.274 0.000 0.867 88 E CB 0.143 29.959 29.700 0.194 0.000 0.858 88 E HN 0.427 nan 8.360 nan 0.000 0.513 89 E N -0.410 119.857 120.200 0.112 0.000 2.316 89 E HA 0.219 4.552 4.350 -0.029 0.000 0.275 89 E C 0.441 177.070 176.600 0.049 0.000 1.029 89 E CA 0.544 56.988 56.400 0.073 0.000 0.871 89 E CB 0.670 30.406 29.700 0.060 0.000 1.022 89 E HN 0.357 nan 8.360 nan 0.000 0.418 90 G N 3.081 111.905 108.800 0.041 0.000 2.176 90 G HA2 -0.276 3.667 3.960 -0.029 0.000 0.253 90 G HA3 -0.276 3.667 3.960 -0.029 0.000 0.253 90 G C 0.836 175.743 174.900 0.012 0.000 0.979 90 G CA 0.258 45.372 45.100 0.023 0.000 0.641 90 G HN 0.501 nan 8.290 nan 0.000 0.530 91 V N 0.958 120.886 119.914 0.022 0.000 3.041 91 V HA 0.243 4.345 4.120 -0.029 0.000 0.260 91 V C 1.771 177.887 176.094 0.037 0.000 1.105 91 V CA 1.144 63.448 62.300 0.006 0.000 1.125 91 V CB -0.189 31.652 31.823 0.031 0.000 0.730 91 V HN 0.452 nan 8.190 nan 0.000 0.479 92 L N 0.609 121.864 121.223 0.053 0.000 2.439 92 L HA 0.201 4.524 4.340 -0.029 0.000 0.269 92 L C 0.339 177.241 176.870 0.054 0.000 1.179 92 L CA -0.027 54.852 54.840 0.066 0.000 0.828 92 L CB 0.087 42.188 42.059 0.069 0.000 1.106 92 L HN 0.100 nan 8.230 nan 0.000 0.467 93 D N 2.181 122.621 120.400 0.067 0.000 2.336 93 D HA -0.005 4.618 4.640 -0.029 0.000 0.249 93 D C 0.783 177.101 176.300 0.030 0.000 1.213 93 D CA -0.167 53.861 54.000 0.046 0.000 0.870 93 D CB 1.222 42.061 40.800 0.064 0.000 1.076 93 D HN 0.405 nan 8.370 nan 0.000 0.483 94 Q N 2.436 122.244 119.800 0.014 0.000 2.439 94 Q HA -0.138 4.184 4.340 -0.029 0.000 0.211 94 Q C 0.393 176.393 176.000 -0.001 0.000 0.978 94 Q CA 0.813 56.622 55.803 0.011 0.000 0.897 94 Q CB 0.004 28.745 28.738 0.004 0.000 0.956 94 Q HN 0.412 nan 8.270 nan 0.000 0.483 95 N N 0.196 118.882 118.700 -0.024 0.000 2.598 95 N HA 0.069 4.792 4.740 -0.029 0.000 0.295 95 N C -1.434 174.022 175.510 -0.090 0.000 1.729 95 N CA -0.089 52.934 53.050 -0.045 0.000 0.877 95 N CB 0.522 38.973 38.487 -0.060 0.000 1.405 95 N HN -0.179 nan 8.380 nan 0.000 0.491 96 R N 0.439 120.906 120.500 -0.055 0.000 2.549 96 R HA 0.264 4.587 4.340 -0.029 0.000 0.291 96 R C -0.461 175.890 176.300 0.086 0.000 1.164 96 R CA -0.463 55.594 56.100 -0.073 0.000 0.973 96 R CB 0.839 30.998 30.300 -0.235 0.000 1.210 96 R HN 0.379 nan 8.270 nan 0.000 0.422 97 S N 2.003 117.776 115.700 0.121 0.000 2.596 97 S HA 0.166 4.619 4.470 -0.029 0.000 0.260 97 S C 1.347 176.051 174.600 0.173 0.000 1.336 97 S CA -0.715 57.559 58.200 0.123 0.000 0.993 97 S CB 0.749 63.989 63.200 0.067 0.000 0.923 97 S HN 0.651 nan 8.310 nan 0.000 0.567 98 L N 0.194 121.493 121.223 0.127 0.000 2.362 98 L HA -0.005 4.318 4.340 -0.029 0.000 0.219 98 L C 1.952 178.876 176.870 0.089 0.000 1.134 98 L CA 0.955 55.867 54.840 0.120 0.000 0.807 98 L CB -0.618 41.493 42.059 0.087 0.000 0.927 98 L HN 0.810 nan 8.230 nan 0.000 0.447 99 L N -1.091 120.148 121.223 0.027 0.000 2.240 99 L HA -0.162 4.160 4.340 -0.029 0.000 0.211 99 L C 2.109 179.012 176.870 0.054 0.000 1.106 99 L CA 1.253 56.023 54.840 -0.117 0.000 0.793 99 L CB -0.569 41.228 42.059 -0.437 0.000 0.927 99 L HN 0.167 nan 8.230 nan 0.000 0.446 100 F N -0.311 119.714 119.950 0.124 0.000 2.095 100 F HA -0.288 4.228 4.527 -0.019 0.000 0.298 100 F C 2.403 178.447 175.800 0.406 0.000 1.104 100 F CA 2.230 60.496 58.000 0.443 0.000 1.232 100 F CB -0.376 38.837 39.000 0.355 0.000 0.987 100 F HN 0.203 nan 8.300 nan 0.000 0.475 101 M N 0.263 119.944 119.600 0.136 0.000 2.099 101 M HA -0.204 4.259 4.480 -0.029 0.000 0.262 101 M C 2.199 178.442 176.300 -0.094 0.000 1.067 101 M CA 1.935 57.212 55.300 -0.038 0.000 1.124 101 M CB -1.018 31.621 32.600 0.065 0.000 1.353 101 M HN 0.343 nan 8.290 nan 0.000 0.410 102 Q N -0.110 119.667 119.800 -0.038 0.000 2.124 102 Q HA -0.205 4.117 4.340 -0.029 0.000 0.202 102 Q C 1.854 177.772 176.000 -0.136 0.000 0.977 102 Q CA 2.100 57.849 55.803 -0.090 0.000 0.850 102 Q CB -0.851 27.859 28.738 -0.047 0.000 0.901 102 Q HN 0.722 nan 8.270 nan 0.000 0.429 103 W N -0.122 121.028 121.300 -0.250 0.000 2.436 103 W HA -0.012 4.633 4.660 -0.025 0.000 0.284 103 W C 1.497 177.732 176.519 -0.473 0.000 1.225 103 W CA 1.359 58.525 57.345 -0.299 0.000 1.271 103 W CB -0.332 29.045 29.460 -0.139 0.000 1.114 103 W HN 0.296 nan 8.180 nan 0.000 0.559 104 G N 0.547 109.066 108.800 -0.469 0.000 2.418 104 G HA2 -0.362 3.580 3.960 -0.029 0.000 0.217 104 G HA3 -0.362 3.580 3.960 -0.029 0.000 0.217 104 G C 1.431 175.907 174.900 -0.706 0.000 1.158 104 G CA 1.023 45.782 45.100 -0.567 0.000 0.771 104 G HN 0.398 nan 8.290 nan 0.000 0.545 105 Q N -0.339 119.084 119.800 -0.629 0.000 2.291 105 Q HA -0.007 4.316 4.340 -0.029 0.000 0.206 105 Q C 2.417 177.903 176.000 -0.858 0.000 0.976 105 Q CA 0.650 56.014 55.803 -0.731 0.000 0.875 105 Q CB -0.126 28.277 28.738 -0.558 0.000 0.927 105 Q HN 0.585 nan 8.270 nan 0.000 0.450 106 I N -0.848 119.283 120.570 -0.732 0.000 2.206 106 I HA -0.230 3.922 4.170 -0.029 0.000 0.239 106 I C 2.198 178.007 176.117 -0.513 0.000 1.078 106 I CA 0.527 61.422 61.300 -0.674 0.000 1.367 106 I CB -0.354 37.152 38.000 -0.824 0.000 1.078 106 I HN 0.039 nan 8.210 nan 0.000 0.413 107 V N 1.326 120.874 119.914 -0.610 0.000 2.250 107 V HA -0.427 3.675 4.120 -0.029 0.000 0.253 107 V C 2.390 178.521 176.094 0.062 0.000 1.065 107 V CA 2.508 64.685 62.300 -0.205 0.000 1.039 107 V CB -0.723 31.086 31.823 -0.022 0.000 0.647 107 V HN 0.583 nan 8.190 nan 0.000 0.446 108 D N -0.909 119.438 120.400 -0.089 0.000 2.106 108 D HA -0.244 4.379 4.640 -0.029 0.000 0.191 108 D C 1.905 178.273 176.300 0.113 0.000 0.997 108 D CA 2.126 56.100 54.000 -0.043 0.000 0.834 108 D CB -0.242 40.214 40.800 -0.574 0.000 0.956 108 D HN 0.725 nan 8.370 nan 0.000 0.448 109 H N -0.494 118.488 119.070 -0.146 0.000 2.521 109 H HA -0.068 4.471 4.556 -0.028 0.000 0.286 109 H C 1.689 176.988 175.328 -0.048 0.000 1.034 109 H CA 0.443 56.423 56.048 -0.114 0.000 1.278 109 H CB 0.384 30.052 29.762 -0.157 0.000 1.386 109 H HN 0.233 nan 8.280 nan 0.000 0.567 110 D N 0.865 121.321 120.400 0.094 0.000 2.137 110 D HA -0.083 4.540 4.640 -0.029 0.000 0.202 110 D C 2.091 178.475 176.300 0.141 0.000 0.970 110 D CA 0.564 54.619 54.000 0.092 0.000 0.837 110 D CB 0.330 41.170 40.800 0.068 0.000 0.981 110 D HN 0.347 nan 8.370 nan 0.000 0.475 111 L N 0.261 121.592 121.223 0.181 0.000 2.095 111 L HA 0.058 4.381 4.340 -0.029 0.000 0.204 111 L C 0.675 177.628 176.870 0.139 0.000 1.080 111 L CA 0.730 55.671 54.840 0.169 0.000 0.759 111 L CB -0.096 42.105 42.059 0.237 0.000 0.914 111 L HN 0.060 nan 8.230 nan 0.000 0.439 112 D N -1.879 118.624 120.400 0.172 0.000 2.756 112 D HA 0.364 4.987 4.640 -0.029 0.000 0.226 112 D C -1.466 174.947 176.300 0.189 0.000 1.186 112 D CA -0.415 53.676 54.000 0.152 0.000 0.845 112 D CB 3.075 43.969 40.800 0.157 0.000 1.610 112 D HN -0.232 nan 8.370 nan 0.000 0.465 113 F N 0.789 120.729 119.950 -0.018 0.000 2.630 113 F HA 0.536 5.045 4.527 -0.029 0.000 0.325 113 F C -1.665 174.119 175.800 -0.027 0.000 1.184 113 F CA -1.139 56.832 58.000 -0.047 0.000 1.011 113 F CB 1.932 40.910 39.000 -0.036 0.000 1.268 113 F HN 0.589 nan 8.300 nan 0.000 0.480 114 A N 7.407 130.156 122.820 -0.118 0.000 2.786 114 A HA 0.684 4.987 4.320 -0.029 0.000 0.346 114 A C -2.668 174.644 177.584 -0.454 0.000 1.265 114 A CA -1.542 50.371 52.037 -0.206 0.000 0.858 114 A CB -0.459 18.586 19.000 0.075 0.000 1.118 114 A HN 0.460 nan 8.150 nan 0.000 0.482 115 P HA 0.011 nan 4.420 nan 0.000 0.266 115 P C 0.288 177.368 177.300 -0.367 0.000 1.186 115 P CA 0.445 63.069 63.100 -0.793 0.000 0.767 115 P CB 0.593 31.858 31.700 -0.726 0.000 0.820 116 E N -0.029 120.008 120.200 -0.272 0.000 2.376 116 E HA 0.162 4.495 4.350 -0.029 0.000 0.254 116 E C 0.142 176.646 176.600 -0.160 0.000 1.213 116 E CA -0.471 55.829 56.400 -0.167 0.000 0.945 116 E CB 0.234 29.853 29.700 -0.135 0.000 1.057 116 E HN 0.472 nan 8.360 nan 0.000 0.479 117 T N 0.047 114.546 114.554 -0.092 0.000 2.906 117 T HA 0.044 4.377 4.350 -0.029 0.000 0.320 117 T C 0.298 174.897 174.700 -0.169 0.000 1.088 117 T CA -0.223 61.827 62.100 -0.084 0.000 1.120 117 T CB 0.532 69.406 68.868 0.011 0.000 1.000 117 T HN 0.378 nan 8.240 nan 0.000 0.550 118 E N 1.086 121.192 120.200 -0.156 0.000 3.626 118 E HA 0.341 4.674 4.350 -0.029 0.000 0.245 118 E C -0.950 175.568 176.600 -0.137 0.000 1.236 118 E CA -0.380 55.916 56.400 -0.172 0.000 1.072 118 E CB -0.282 29.306 29.700 -0.187 0.000 1.309 118 E HN 0.465 nan 8.360 nan 0.000 0.400 119 L N 0.995 122.149 121.223 -0.116 0.000 3.267 119 L HA 0.552 4.875 4.340 -0.029 0.000 0.289 119 L C 0.591 177.411 176.870 -0.084 0.000 1.260 119 L CA 0.161 54.953 54.840 -0.081 0.000 1.034 119 L CB 1.481 43.514 42.059 -0.043 0.000 1.413 119 L HN 0.423 nan 8.230 nan 0.000 0.594 120 G N -0.323 108.403 108.800 -0.124 0.000 4.040 120 G HA2 0.465 4.408 3.960 -0.029 0.000 0.328 120 G HA3 0.465 4.408 3.960 -0.029 0.000 0.328 120 G C -0.699 174.122 174.900 -0.132 0.000 1.503 120 G CA -0.131 44.894 45.100 -0.126 0.000 0.909 120 G HN 0.125 nan 8.290 nan 0.000 0.495 121 S N 0.654 116.295 115.700 -0.100 0.000 2.659 121 S HA 0.607 5.059 4.470 -0.029 0.000 0.312 121 S C -0.163 174.398 174.600 -0.066 0.000 1.114 121 S CA -0.924 57.221 58.200 -0.092 0.000 1.063 121 S CB 1.654 64.801 63.200 -0.088 0.000 0.996 121 S HN 0.918 nan 8.310 nan 0.000 0.478 122 N N 0.471 119.138 118.700 -0.055 0.000 2.890 122 N HA -0.170 4.553 4.740 -0.029 0.000 0.257 122 N C -1.184 174.310 175.510 -0.026 0.000 1.111 122 N CA 0.730 53.757 53.050 -0.038 0.000 0.669 122 N CB -0.839 37.626 38.487 -0.036 0.000 0.950 122 N HN 0.853 nan 8.380 nan 0.000 0.568 123 E N 0.094 120.286 120.200 -0.014 0.000 2.312 123 E HA 0.560 4.893 4.350 -0.029 0.000 0.267 123 E C -0.379 176.288 176.600 0.113 0.000 0.894 123 E CA -0.584 55.828 56.400 0.020 0.000 0.773 123 E CB 0.927 30.605 29.700 -0.038 0.000 1.241 123 E HN 0.401 nan 8.360 nan 0.000 0.432 124 H N 0.745 119.813 119.070 -0.004 0.000 3.058 124 H HA 0.334 4.873 4.556 -0.029 0.000 0.266 124 H C 1.057 176.417 175.328 0.054 0.000 1.135 124 H CA 0.760 56.823 56.048 0.025 0.000 1.174 124 H CB 0.780 30.559 29.762 0.029 0.000 1.581 124 H HN 0.341 nan 8.280 nan 0.000 0.553 125 S N -0.480 115.279 115.700 0.098 0.000 2.478 125 S HA 0.036 4.488 4.470 -0.029 0.000 0.222 125 S C 1.612 176.290 174.600 0.129 0.000 1.008 125 S CA 0.449 58.705 58.200 0.094 0.000 0.928 125 S CB 0.131 63.376 63.200 0.076 0.000 0.781 125 S HN 0.355 nan 8.310 nan 0.000 0.518 126 K N -0.032 120.400 120.400 0.055 0.000 2.296 126 K HA 0.093 4.396 4.320 -0.029 0.000 0.200 126 K C 1.551 178.235 176.600 0.141 0.000 1.048 126 K CA 1.111 57.450 56.287 0.086 0.000 0.966 126 K CB 0.001 32.446 32.500 -0.092 0.000 0.754 126 K HN 0.214 nan 8.250 nan 0.000 0.466 127 T N 0.282 114.865 114.554 0.049 0.000 3.023 127 T HA -0.065 4.268 4.350 -0.029 0.000 0.249 127 T C 1.632 176.324 174.700 -0.014 0.000 1.050 127 T CA 0.370 62.465 62.100 -0.009 0.000 1.088 127 T CB 0.260 69.089 68.868 -0.065 0.000 0.946 127 T HN 0.169 nan 8.240 nan 0.000 0.480 128 Q N 0.286 120.086 119.800 -0.001 0.000 2.226 128 Q HA -0.081 4.242 4.340 -0.029 0.000 0.204 128 Q C 2.243 178.310 176.000 0.112 0.000 0.975 128 Q CA 1.590 57.432 55.803 0.065 0.000 0.866 128 Q CB -0.630 28.137 28.738 0.049 0.000 0.915 128 Q HN 0.513 nan 8.270 nan 0.000 0.440 129 c N -0.644 118.030 118.600 0.124 0.000 2.524 129 c HA 0.126 4.679 4.570 -0.029 0.000 0.284 129 c C 2.416 176.513 174.090 0.011 0.000 1.346 129 c CA 0.252 56.631 56.329 0.082 0.000 1.739 129 c CB -0.510 42.097 42.510 0.161 0.000 2.119 129 c HN 0.586 nan 8.230 nan 0.000 0.501 130 E N 0.887 121.131 120.200 0.074 0.000 2.038 130 E HA -0.161 4.172 4.350 -0.029 0.000 0.195 130 E C 2.132 178.667 176.600 -0.109 0.000 1.000 130 E CA 1.485 57.909 56.400 0.040 0.000 0.803 130 E CB -0.224 29.549 29.700 0.120 0.000 0.750 130 E HN 0.690 nan 8.360 nan 0.000 0.448 131 E N -0.370 119.695 120.200 -0.225 0.000 2.021 131 E HA -0.117 4.216 4.350 -0.029 0.000 0.189 131 E C 1.659 177.882 176.600 -0.629 0.000 0.980 131 E CA 0.898 56.979 56.400 -0.531 0.000 0.803 131 E CB -0.355 28.802 29.700 -0.905 0.000 0.766 131 E HN 0.417 nan 8.360 nan 0.000 0.449 132 Y N -0.157 120.117 120.300 -0.044 0.000 2.571 132 Y HA 0.204 4.737 4.550 -0.029 0.000 0.275 132 Y C 0.584 176.444 175.900 -0.067 0.000 1.179 132 Y CA -0.667 57.403 58.100 -0.050 0.000 1.242 132 Y CB -0.448 37.986 38.460 -0.044 0.000 1.126 132 Y HN 0.002 nan 8.280 nan 0.000 0.524 133 c N 1.792 120.376 118.600 -0.026 0.000 3.730 133 c HA -0.254 4.299 4.570 -0.029 0.000 0.286 133 c C 0.654 174.716 174.090 -0.047 0.000 1.454 133 c CA -0.475 55.810 56.329 -0.074 0.000 2.033 133 c CB -3.202 39.233 42.510 -0.124 0.000 1.316 133 c HN 0.394 nan 8.230 nan 0.000 0.648 134 I N 0.867 121.440 120.570 0.004 0.000 2.322 134 I HA 0.234 4.387 4.170 -0.029 0.000 0.292 134 I C 0.624 176.713 176.117 -0.047 0.000 1.060 134 I CA 0.415 61.705 61.300 -0.017 0.000 1.309 134 I CB 0.374 38.385 38.000 0.018 0.000 1.415 134 I HN 0.447 nan 8.210 nan 0.000 0.492 135 Q N 6.062 125.789 119.800 -0.122 0.000 2.313 135 Q HA 0.575 4.898 4.340 -0.029 0.000 0.266 135 Q C -0.217 175.686 176.000 -0.162 0.000 0.989 135 Q CA -0.179 55.509 55.803 -0.192 0.000 0.890 135 Q CB 1.086 29.587 28.738 -0.394 0.000 1.200 135 Q HN 0.947 nan 8.270 nan 0.000 0.396 136 G N 2.748 111.551 108.800 0.006 0.000 2.429 136 G HA2 0.276 4.219 3.960 -0.029 0.000 0.300 136 G HA3 0.276 4.219 3.960 -0.029 0.000 0.300 136 G C -1.270 173.819 174.900 0.315 0.000 1.598 136 G CA -0.172 45.038 45.100 0.184 0.000 0.863 136 G HN 0.755 nan 8.290 nan 0.000 0.614 137 D N 0.064 120.666 120.400 0.336 0.000 3.740 137 D HA -0.230 4.393 4.640 -0.029 0.000 0.147 137 D C 0.892 177.346 176.300 0.257 0.000 0.885 137 D CA 1.557 55.685 54.000 0.214 0.000 1.051 137 D CB -0.404 40.489 40.800 0.155 0.000 0.480 137 D HN 0.504 nan 8.370 nan 0.000 0.469 138 N N 0.319 119.162 118.700 0.238 0.000 2.346 138 N HA 0.142 4.865 4.740 -0.029 0.000 0.225 138 N C -0.267 175.496 175.510 0.422 0.000 1.144 138 N CA 0.065 53.285 53.050 0.285 0.000 0.837 138 N CB -0.136 38.492 38.487 0.234 0.000 1.069 138 N HN 0.282 nan 8.380 nan 0.000 0.487 139 c N 1.172 119.993 118.600 0.368 0.000 2.281 139 c HA 0.491 5.044 4.570 -0.029 0.000 0.323 139 c C -0.554 173.716 174.090 0.301 0.000 1.270 139 c CA -0.746 55.705 56.329 0.203 0.000 1.559 139 c CB -1.270 41.318 42.510 0.131 0.000 2.239 139 c HN 0.299 nan 8.230 nan 0.000 0.488 140 F N 8.921 128.939 119.950 0.114 0.000 2.622 140 F HA 0.471 4.981 4.527 -0.029 0.000 0.338 140 F C -2.431 173.402 175.800 0.056 0.000 1.334 140 F CA -3.059 55.045 58.000 0.173 0.000 1.179 140 F CB 0.465 39.737 39.000 0.454 0.000 1.471 140 F HN 0.439 nan 8.300 nan 0.000 0.576 141 P HA 0.064 nan 4.420 nan 0.000 0.265 141 P C -0.186 176.874 177.300 -0.400 0.000 1.187 141 P CA 0.436 63.391 63.100 -0.242 0.000 0.766 141 P CB 0.770 32.336 31.700 -0.223 0.000 0.820 142 I N 3.603 123.945 120.570 -0.380 0.000 2.282 142 I HA 0.139 4.291 4.170 -0.029 0.000 0.290 142 I C 0.530 176.386 176.117 -0.434 0.000 1.090 142 I CA -0.501 60.556 61.300 -0.405 0.000 1.231 142 I CB 0.176 37.997 38.000 -0.299 0.000 1.434 142 I HN 0.157 nan 8.210 nan 0.000 0.487 143 M N 5.443 124.836 119.600 -0.344 0.000 2.245 143 M HA 0.236 4.699 4.480 -0.029 0.000 0.330 143 M C -0.228 175.960 176.300 -0.187 0.000 1.098 143 M CA 0.319 55.440 55.300 -0.299 0.000 1.172 143 M CB -0.259 32.237 32.600 -0.173 0.000 1.467 143 M HN 0.239 nan 8.290 nan 0.000 0.454 144 F N 3.665 123.556 119.950 -0.098 0.000 2.404 144 F HA 0.348 4.858 4.527 -0.029 0.000 0.345 144 F C -1.354 174.403 175.800 -0.072 0.000 1.110 144 F CA -1.797 56.152 58.000 -0.086 0.000 1.130 144 F CB 1.278 40.228 39.000 -0.083 0.000 1.129 144 F HN 0.391 nan 8.300 nan 0.000 0.500 145 P HA 0.063 nan 4.420 nan 0.000 0.276 145 P C -1.195 176.122 177.300 0.030 0.000 1.261 145 P CA -0.713 62.417 63.100 0.049 0.000 0.800 145 P CB 1.048 32.759 31.700 0.018 0.000 1.066 146 K N 1.124 121.528 120.400 0.007 0.000 2.382 146 K HA -0.020 4.282 4.320 -0.029 0.000 0.275 146 K C 0.127 176.714 176.600 -0.022 0.000 1.009 146 K CA 0.277 56.561 56.287 -0.005 0.000 0.970 146 K CB -0.609 31.887 32.500 -0.007 0.000 0.934 146 K HN 0.516 nan 8.250 nan 0.000 0.479 147 N N 1.170 119.851 118.700 -0.033 0.000 2.952 147 N HA -0.184 4.539 4.740 -0.029 0.000 0.245 147 N C -1.470 173.996 175.510 -0.074 0.000 1.029 147 N CA 0.823 53.846 53.050 -0.046 0.000 0.870 147 N CB -0.585 37.881 38.487 -0.034 0.000 1.121 147 N HN 0.680 nan 8.380 nan 0.000 0.559 148 D N 0.184 120.521 120.400 -0.105 0.000 2.280 148 D HA 0.175 4.798 4.640 -0.029 0.000 0.243 148 D C -1.536 174.631 176.300 -0.222 0.000 1.129 148 D CA -1.996 51.893 54.000 -0.186 0.000 0.848 148 D CB 1.274 41.906 40.800 -0.281 0.000 1.107 148 D HN -0.036 nan 8.370 nan 0.000 0.471 149 P HA -0.135 nan 4.420 nan 0.000 0.218 149 P C 0.921 178.082 177.300 -0.232 0.000 1.146 149 P CA 1.170 64.167 63.100 -0.172 0.000 0.813 149 P CB 0.322 31.939 31.700 -0.139 0.000 0.778 150 K N -1.046 119.113 120.400 -0.402 0.000 2.362 150 K HA -0.054 4.249 4.320 -0.029 0.000 0.200 150 K C 1.916 178.291 176.600 -0.375 0.000 1.046 150 K CA 0.665 56.644 56.287 -0.513 0.000 0.952 150 K CB -0.483 31.420 32.500 -0.995 0.000 0.753 150 K HN 0.211 nan 8.250 nan 0.000 0.466 151 L N 0.971 122.020 121.223 -0.289 0.000 2.056 151 L HA -0.211 4.111 4.340 -0.029 0.000 0.207 151 L C 2.066 178.914 176.870 -0.037 0.000 1.078 151 L CA 1.459 56.269 54.840 -0.049 0.000 0.749 151 L CB -0.159 41.887 42.059 -0.021 0.000 0.901 151 L HN 0.108 nan 8.230 nan 0.000 0.433 152 K N -1.042 119.316 120.400 -0.070 0.000 2.147 152 K HA -0.148 4.155 4.320 -0.029 0.000 0.205 152 K C 1.719 178.295 176.600 -0.040 0.000 1.049 152 K CA 1.859 58.117 56.287 -0.048 0.000 0.936 152 K CB -0.102 32.365 32.500 -0.055 0.000 0.722 152 K HN 0.479 nan 8.250 nan 0.000 0.446 153 T N -3.885 110.636 114.554 -0.055 0.000 2.969 153 T HA 0.146 4.479 4.350 -0.029 0.000 0.258 153 T C 1.596 176.282 174.700 -0.025 0.000 0.962 153 T CA -0.365 61.712 62.100 -0.038 0.000 0.903 153 T CB 0.485 69.326 68.868 -0.045 0.000 1.177 153 T HN -0.020 nan 8.240 nan 0.000 0.511 154 Q N 0.394 120.183 119.800 -0.019 0.000 2.481 154 Q HA 0.537 4.860 4.340 -0.029 0.000 0.219 154 Q C 1.115 177.147 176.000 0.053 0.000 0.920 154 Q CA 0.654 56.466 55.803 0.016 0.000 0.915 154 Q CB 1.157 29.908 28.738 0.022 0.000 1.057 154 Q HN 0.672 nan 8.270 nan 0.000 0.581 155 G N -0.236 108.635 108.800 0.119 0.000 2.403 155 G HA2 -0.021 3.922 3.960 -0.029 0.000 0.223 155 G HA3 -0.021 3.922 3.960 -0.029 0.000 0.223 155 G C -0.756 174.241 174.900 0.161 0.000 1.287 155 G CA -0.530 44.618 45.100 0.081 0.000 0.982 155 G HN -0.147 nan 8.290 nan 0.000 0.471 156 K N -0.490 119.923 120.400 0.023 0.000 2.354 156 K HA 0.363 4.665 4.320 -0.029 0.000 0.194 156 K C 0.555 176.973 176.600 -0.304 0.000 1.038 156 K CA 1.040 57.321 56.287 -0.009 0.000 1.052 156 K CB 0.313 32.785 32.500 -0.046 0.000 0.861 156 K HN 1.136 nan 8.250 nan 0.000 0.535 157 c N -2.128 116.129 118.600 -0.572 0.000 3.249 157 c HA 0.579 5.132 4.570 -0.029 0.000 0.350 157 c C -1.535 172.067 174.090 -0.814 0.000 1.431 157 c CA -1.220 54.526 56.329 -0.971 0.000 1.209 157 c CB 0.879 43.086 42.510 -0.504 0.000 1.546 157 c HN 0.060 nan 8.230 nan 0.000 0.450 158 M N 2.149 121.352 119.600 -0.663 0.000 2.243 158 M HA 0.443 4.906 4.480 -0.029 0.000 0.324 158 M C -2.599 173.614 176.300 -0.146 0.000 1.031 158 M CA -1.395 53.700 55.300 -0.343 0.000 0.949 158 M CB 2.108 34.616 32.600 -0.154 0.000 1.615 158 M HN 0.480 nan 8.290 nan 0.000 0.430 159 P HA -0.012 nan 4.420 nan 0.000 0.264 159 P C -1.295 175.897 177.300 -0.179 0.000 1.183 159 P CA 0.505 63.461 63.100 -0.241 0.000 0.763 159 P CB 0.156 31.681 31.700 -0.291 0.000 0.807 160 F N 4.946 124.586 119.950 -0.516 0.000 3.164 160 F HA 0.410 4.920 4.527 -0.029 0.000 0.375 160 F C -1.628 173.989 175.800 -0.306 0.000 1.257 160 F CA -0.798 57.008 58.000 -0.322 0.000 1.171 160 F CB 0.373 39.245 39.000 -0.213 0.000 1.588 160 F HN 0.052 nan 8.300 nan 0.000 0.604 161 F N 4.683 124.427 119.950 -0.344 0.000 2.394 161 F HA 0.550 5.060 4.527 -0.029 0.000 0.340 161 F C 0.963 176.614 175.800 -0.248 0.000 1.105 161 F CA -0.703 57.208 58.000 -0.147 0.000 1.124 161 F CB 0.945 39.882 39.000 -0.105 0.000 1.145 161 F HN 0.236 nan 8.300 nan 0.000 0.505 162 R N 1.761 122.393 120.500 0.219 0.000 2.623 162 R HA 0.363 4.686 4.340 -0.029 0.000 0.271 162 R C 0.196 176.545 176.300 0.081 0.000 1.043 162 R CA -0.343 55.870 56.100 0.189 0.000 1.083 162 R CB 0.309 30.710 30.300 0.168 0.000 0.974 162 R HN 0.773 nan 8.270 nan 0.000 0.436 163 A N 1.908 124.762 122.820 0.056 0.000 2.429 163 A HA 0.337 4.640 4.320 -0.029 0.000 0.242 163 A C 0.640 178.244 177.584 0.034 0.000 1.088 163 A CA 0.144 52.181 52.037 -0.000 0.000 0.784 163 A CB 0.136 19.130 19.000 -0.009 0.000 1.038 163 A HN 0.775 nan 8.150 nan 0.000 0.501 164 G N -0.822 107.961 108.800 -0.028 0.000 2.527 164 G HA2 0.495 4.438 3.960 -0.029 0.000 0.248 164 G HA3 0.495 4.438 3.960 -0.029 0.000 0.248 164 G C -0.238 174.699 174.900 0.061 0.000 1.231 164 G CA -0.111 44.979 45.100 -0.018 0.000 0.838 164 G HN 0.849 nan 8.290 nan 0.000 0.570 165 F N -0.584 119.260 119.950 -0.178 0.000 2.697 165 F HA 0.682 5.192 4.527 -0.029 0.000 0.386 165 F C 0.958 176.633 175.800 -0.208 0.000 1.154 165 F CA -1.234 56.653 58.000 -0.188 0.000 1.108 165 F CB 0.162 39.033 39.000 -0.214 0.000 1.429 165 F HN 0.245 nan 8.300 nan 0.000 0.509 166 V N -1.001 118.837 119.914 -0.126 0.000 2.374 166 V HA -0.120 3.983 4.120 -0.029 0.000 0.241 166 V C 1.973 177.896 176.094 -0.285 0.000 1.034 166 V CA 1.350 63.526 62.300 -0.206 0.000 1.037 166 V CB -1.146 30.641 31.823 -0.060 0.000 0.682 166 V HN 0.984 nan 8.190 nan 0.000 0.463 167 C N 0.610 119.699 119.300 -0.352 0.000 2.450 167 C HA 0.156 4.599 4.460 -0.029 0.000 0.279 167 C C 0.006 174.836 174.990 -0.267 0.000 1.335 167 C CA 0.920 59.806 59.018 -0.221 0.000 1.749 167 C CB -1.625 26.127 27.740 0.019 0.000 1.963 167 C HN 0.620 nan 8.230 nan 0.000 0.501 168 P HA 0.375 nan 4.420 nan 0.000 0.285 168 P C -0.214 176.710 177.300 -0.626 0.000 1.177 168 P CA 0.932 63.819 63.100 -0.355 0.000 0.714 168 P CB 1.200 32.809 31.700 -0.152 0.000 1.846 169 T N -4.502 109.691 114.554 -0.603 0.000 3.508 169 T HA 0.200 4.533 4.350 -0.029 0.000 0.278 169 T C -2.723 171.908 174.700 -0.115 0.000 0.881 169 T CA 0.092 61.776 62.100 -0.693 0.000 0.774 169 T CB -1.137 67.482 68.868 -0.415 0.000 1.230 169 T HN 0.208 nan 8.240 nan 0.000 0.837 170 P HA 0.521 nan 4.420 nan 0.000 0.297 170 P C -2.657 174.812 177.300 0.282 0.000 1.331 170 P CA -1.253 61.929 63.100 0.137 0.000 0.803 170 P CB 0.214 31.956 31.700 0.070 0.000 0.929 171 P HA -0.233 nan 4.420 nan 0.000 0.169 171 P C -0.607 176.801 177.300 0.181 0.000 0.878 171 P CA 1.022 64.213 63.100 0.151 0.000 0.999 171 P CB -0.664 31.072 31.700 0.060 0.000 1.234 172 Y N 2.395 122.697 120.300 0.002 0.000 2.299 172 Y HA 0.070 4.603 4.550 -0.029 0.000 0.335 172 Y C 1.956 177.778 175.900 -0.129 0.000 1.287 172 Y CA 0.292 58.388 58.100 -0.006 0.000 1.424 172 Y CB 0.937 39.464 38.460 0.110 0.000 1.326 172 Y HN 0.441 nan 8.280 nan 0.000 0.567 173 Q N -0.661 118.886 119.800 -0.422 0.000 2.527 173 Q HA 0.142 4.465 4.340 -0.029 0.000 0.252 173 Q C 1.114 176.893 176.000 -0.369 0.000 0.827 173 Q CA 0.438 56.029 55.803 -0.354 0.000 0.979 173 Q CB 0.163 28.727 28.738 -0.289 0.000 1.248 173 Q HN 0.578 nan 8.270 nan 0.000 0.578 174 S N 1.966 117.368 115.700 -0.497 0.000 2.350 174 S HA 0.045 4.498 4.470 -0.029 0.000 0.193 174 S C 1.093 175.427 174.600 -0.443 0.000 1.322 174 S CA 0.348 58.258 58.200 -0.483 0.000 2.111 174 S CB -0.568 62.268 63.200 -0.608 0.000 0.690 174 S HN 0.399 nan 8.310 nan 0.000 0.359 175 L N 0.971 121.894 121.223 -0.499 0.000 2.456 175 L HA 0.348 4.671 4.340 -0.029 0.000 0.246 175 L C 0.533 177.314 176.870 -0.149 0.000 1.238 175 L CA -0.604 54.010 54.840 -0.376 0.000 0.826 175 L CB 0.044 41.869 42.059 -0.389 0.000 1.150 175 L HN 0.517 nan 8.230 nan 0.000 0.514 176 A N 1.754 124.534 122.820 -0.067 0.000 2.498 176 A HA 0.101 4.404 4.320 -0.029 0.000 0.239 176 A C 0.169 177.795 177.584 0.069 0.000 1.068 176 A CA -0.054 52.005 52.037 0.037 0.000 0.766 176 A CB 0.005 19.081 19.000 0.126 0.000 1.003 176 A HN 0.765 nan 8.150 nan 0.000 0.497 177 R N 1.434 121.948 120.500 0.024 0.000 2.489 177 R HA 0.196 4.519 4.340 -0.029 0.000 0.287 177 R C -0.847 175.543 176.300 0.149 0.000 1.053 177 R CA 0.207 56.299 56.100 -0.013 0.000 1.036 177 R CB 0.343 30.427 30.300 -0.359 0.000 0.966 177 R HN 0.693 nan 8.270 nan 0.000 0.432 178 E N 3.862 124.135 120.200 0.121 0.000 2.199 178 E HA 0.145 4.477 4.350 -0.029 0.000 0.265 178 E C -0.929 175.726 176.600 0.092 0.000 0.882 178 E CA -0.995 55.477 56.400 0.121 0.000 0.759 178 E CB 1.924 31.689 29.700 0.108 0.000 1.148 178 E HN 0.509 nan 8.360 nan 0.000 0.412 179 Q N 1.282 121.120 119.800 0.063 0.000 2.340 179 Q HA 0.356 4.679 4.340 -0.029 0.000 0.249 179 Q C 0.150 176.166 176.000 0.026 0.000 0.957 179 Q CA 0.006 55.816 55.803 0.012 0.000 0.882 179 Q CB 0.825 29.513 28.738 -0.084 0.000 1.235 179 Q HN 0.452 nan 8.270 nan 0.000 0.439 180 I N 1.440 121.997 120.570 -0.021 0.000 2.532 180 I HA 0.218 4.371 4.170 -0.029 0.000 0.292 180 I C 0.226 176.325 176.117 -0.029 0.000 1.014 180 I CA -0.738 60.537 61.300 -0.041 0.000 1.340 180 I CB 0.813 38.753 38.000 -0.101 0.000 1.422 180 I HN 0.477 nan 8.210 nan 0.000 0.528 181 N N 3.869 122.563 118.700 -0.010 0.000 2.446 181 N HA 0.367 5.089 4.740 -0.029 0.000 0.265 181 N C 0.123 175.643 175.510 0.017 0.000 0.975 181 N CA -0.462 52.596 53.050 0.013 0.000 0.928 181 N CB 1.912 40.413 38.487 0.024 0.000 1.160 181 N HN 0.730 nan 8.380 nan 0.000 0.495 182 A N 2.614 125.452 122.820 0.031 0.000 2.238 182 A HA 0.183 4.486 4.320 -0.029 0.000 0.208 182 A C 0.661 178.341 177.584 0.160 0.000 1.177 182 A CA 0.562 52.644 52.037 0.075 0.000 0.804 182 A CB -0.370 18.663 19.000 0.055 0.000 0.823 182 A HN 0.561 nan 8.150 nan 0.000 0.482 183 V N -3.501 116.504 119.914 0.151 0.000 3.126 183 V HA 0.760 4.863 4.120 -0.029 0.000 0.314 183 V C 0.009 176.158 176.094 0.092 0.000 1.138 183 V CA -0.259 62.126 62.300 0.141 0.000 1.034 183 V CB 1.057 32.974 31.823 0.157 0.000 1.075 183 V HN 0.363 nan 8.190 nan 0.000 0.442 184 T N -0.332 114.285 114.554 0.104 0.000 2.919 184 T HA 0.274 4.607 4.350 -0.029 0.000 0.302 184 T C 1.011 175.698 174.700 -0.022 0.000 1.031 184 T CA 0.472 62.614 62.100 0.071 0.000 1.127 184 T CB 0.991 69.987 68.868 0.213 0.000 0.952 184 T HN 0.853 nan 8.240 nan 0.000 0.540 185 S N 1.397 116.941 115.700 -0.260 0.000 2.406 185 S HA 0.110 4.563 4.470 -0.029 0.000 0.228 185 S C 0.391 174.854 174.600 -0.229 0.000 1.020 185 S CA 0.359 58.367 58.200 -0.319 0.000 0.965 185 S CB -0.536 62.379 63.200 -0.474 0.000 0.798 185 S HN 0.685 nan 8.310 nan 0.000 0.488 186 F N 1.390 121.431 119.950 0.150 0.000 2.506 186 F HA 0.219 4.728 4.527 -0.030 0.000 0.351 186 F C 0.634 176.578 175.800 0.239 0.000 1.136 186 F CA -0.739 57.387 58.000 0.211 0.000 1.298 186 F CB 0.148 39.285 39.000 0.228 0.000 1.145 186 F HN -0.009 nan 8.300 nan 0.000 0.593 187 L N 3.669 125.202 121.223 0.516 0.000 2.401 187 L HA 0.141 4.464 4.340 -0.029 0.000 0.283 187 L C -0.304 176.799 176.870 0.387 0.000 1.151 187 L CA -0.014 55.093 54.840 0.445 0.000 0.942 187 L CB -0.485 41.920 42.059 0.575 0.000 1.283 187 L HN 0.761 nan 8.230 nan 0.000 0.442 188 D N 2.366 122.954 120.400 0.314 0.000 2.740 188 D HA 0.166 4.788 4.640 -0.029 0.000 0.301 188 D C 0.713 177.150 176.300 0.228 0.000 1.408 188 D CA 0.155 54.309 54.000 0.257 0.000 0.808 188 D CB 0.593 41.540 40.800 0.245 0.000 1.128 188 D HN 0.354 nan 8.370 nan 0.000 0.465 189 A N 0.764 123.699 122.820 0.193 0.000 2.826 189 A HA -0.284 4.018 4.320 -0.029 0.000 0.274 189 A C 1.837 179.502 177.584 0.135 0.000 1.443 189 A CA 1.308 53.426 52.037 0.135 0.000 0.833 189 A CB -2.576 16.541 19.000 0.195 0.000 1.023 189 A HN 0.900 nan 8.150 nan 0.000 0.600 190 S N -0.715 115.078 115.700 0.156 0.000 2.500 190 S HA -0.047 4.405 4.470 -0.029 0.000 0.239 190 S C 1.630 176.274 174.600 0.074 0.000 0.989 190 S CA 1.319 59.609 58.200 0.150 0.000 0.951 190 S CB -0.806 62.488 63.200 0.157 0.000 0.759 190 S HN 1.791 nan 8.310 nan 0.000 0.523 191 L N -1.382 119.855 121.223 0.023 0.000 2.341 191 L HA 0.323 4.645 4.340 -0.029 0.000 0.214 191 L C 1.879 178.725 176.870 -0.041 0.000 1.115 191 L CA 0.471 55.315 54.840 0.008 0.000 0.820 191 L CB -0.252 41.811 42.059 0.007 0.000 0.944 191 L HN 0.158 nan 8.230 nan 0.000 0.452 192 V N -0.869 118.928 119.914 -0.195 0.000 2.992 192 V HA -0.030 4.073 4.120 -0.029 0.000 0.250 192 V C 1.450 177.215 176.094 -0.549 0.000 1.090 192 V CA 0.987 63.033 62.300 -0.423 0.000 1.101 192 V CB -0.402 30.985 31.823 -0.728 0.000 0.743 192 V HN 0.435 nan 8.190 nan 0.000 0.468 193 Y N 0.510 120.785 120.300 -0.042 0.000 2.444 193 Y HA 0.592 5.124 4.550 -0.029 0.000 0.249 193 Y C 1.318 177.212 175.900 -0.011 0.000 1.134 193 Y CA -0.073 58.008 58.100 -0.033 0.000 1.261 193 Y CB 0.229 38.668 38.460 -0.035 0.000 1.143 193 Y HN 0.251 nan 8.280 nan 0.000 0.523 194 G N -0.089 108.759 108.800 0.081 0.000 2.705 194 G HA2 -0.169 3.774 3.960 -0.029 0.000 0.686 194 G HA3 -0.169 3.774 3.960 -0.029 0.000 0.686 194 G C 0.402 175.363 174.900 0.103 0.000 1.285 194 G CA -0.082 45.049 45.100 0.051 0.000 0.800 194 G HN 0.083 nan 8.290 nan 0.000 0.611 195 S N 0.579 116.343 115.700 0.107 0.000 2.511 195 S HA 0.218 4.671 4.470 -0.029 0.000 0.214 195 S C 0.771 175.439 174.600 0.113 0.000 0.997 195 S CA 0.887 59.163 58.200 0.125 0.000 0.908 195 S CB 0.263 63.549 63.200 0.144 0.000 0.803 195 S HN 0.632 nan 8.310 nan 0.000 0.504 196 E N 1.320 121.584 120.200 0.107 0.000 2.221 196 E HA 0.392 4.724 4.350 -0.029 0.000 0.268 196 E C -2.667 173.974 176.600 0.068 0.000 0.933 196 E CA -2.394 54.060 56.400 0.090 0.000 0.809 196 E CB 1.052 30.816 29.700 0.105 0.000 1.190 196 E HN -0.012 nan 8.360 nan 0.000 0.406 200 A N -0.369 122.464 122.820 0.022 0.000 2.194 200 A HA -0.135 4.168 4.320 -0.029 0.000 0.220 200 A C 2.198 179.766 177.584 -0.027 0.000 1.162 200 A CA 2.372 54.432 52.037 0.039 0.000 0.674 200 A CB -0.649 18.393 19.000 0.069 0.000 0.789 200 A HN 0.576 nan 8.150 nan 0.000 0.470 201 S N -1.225 114.450 115.700 -0.043 0.000 2.438 201 S HA -0.010 4.442 4.470 -0.029 0.000 0.220 201 S C 2.143 176.705 174.600 -0.063 0.000 1.045 201 S CA 0.573 58.725 58.200 -0.080 0.000 0.940 201 S CB -0.372 62.792 63.200 -0.060 0.000 0.863 201 S HN 0.579 nan 8.310 nan 0.000 0.539 202 R N 0.311 120.789 120.500 -0.036 0.000 2.119 202 R HA -0.098 4.224 4.340 -0.029 0.000 0.246 202 R C 1.832 178.112 176.300 -0.034 0.000 1.146 202 R CA 1.489 57.572 56.100 -0.027 0.000 0.962 202 R CB -0.616 29.676 30.300 -0.014 0.000 0.863 202 R HN 0.375 nan 8.270 nan 0.000 0.442 203 L N 0.652 121.852 121.223 -0.039 0.000 2.275 203 L HA -0.044 4.279 4.340 -0.029 0.000 0.215 203 L C 0.949 177.801 176.870 -0.029 0.000 1.119 203 L CA 1.326 56.142 54.840 -0.039 0.000 0.790 203 L CB -0.560 41.477 42.059 -0.036 0.000 0.919 203 L HN 0.067 nan 8.230 nan 0.000 0.443 204 R N 0.061 120.530 120.500 -0.051 0.000 2.528 204 R HA 0.171 4.493 4.340 -0.029 0.000 0.271 204 R C 0.200 176.475 176.300 -0.041 0.000 1.056 204 R CA -0.523 55.538 56.100 -0.065 0.000 1.117 204 R CB 0.362 30.543 30.300 -0.198 0.000 1.085 204 R HN -0.094 nan 8.270 nan 0.000 0.530 205 N N 2.681 121.372 118.700 -0.015 0.000 2.699 205 N HA 0.100 4.823 4.740 -0.029 0.000 0.232 205 N C -0.126 175.377 175.510 -0.012 0.000 1.027 205 N CA -0.127 52.923 53.050 0.001 0.000 0.920 205 N CB 0.437 38.943 38.487 0.031 0.000 1.148 205 N HN 0.548 nan 8.380 nan 0.000 0.509 206 L N 1.122 122.327 121.223 -0.029 0.000 2.611 206 L HA 0.178 4.501 4.340 -0.029 0.000 0.229 206 L C 1.518 178.381 176.870 -0.011 0.000 1.137 206 L CA -0.059 54.760 54.840 -0.034 0.000 0.901 206 L CB -0.032 41.994 42.059 -0.055 0.000 1.098 206 L HN 0.341 nan 8.230 nan 0.000 0.456 207 S N -0.355 115.346 115.700 0.002 0.000 2.547 207 S HA 0.007 4.460 4.470 -0.029 0.000 0.235 207 S C 0.598 175.208 174.600 0.017 0.000 0.980 207 S CA 0.376 58.584 58.200 0.012 0.000 0.941 207 S CB -0.045 63.168 63.200 0.021 0.000 0.763 207 S HN 0.552 nan 8.310 nan 0.000 0.532 208 S N 0.454 116.164 115.700 0.017 0.000 2.565 208 S HA 0.381 4.833 4.470 -0.029 0.000 0.269 208 S C -3.024 171.590 174.600 0.023 0.000 1.153 208 S CA -1.093 57.121 58.200 0.023 0.000 0.835 208 S CB 1.637 64.856 63.200 0.032 0.000 1.122 208 S HN -0.019 nan 8.310 nan 0.000 0.462 209 P HA 0.339 nan 4.420 nan 0.000 0.244 209 P C -0.068 177.259 177.300 0.045 0.000 1.632 209 P CA -0.069 63.050 63.100 0.033 0.000 0.944 209 P CB -0.388 31.334 31.700 0.037 0.000 1.569 210 L N -1.441 119.810 121.223 0.046 0.000 2.640 210 L HA 0.332 4.655 4.340 -0.029 0.000 0.230 210 L C 1.449 178.358 176.870 0.065 0.000 1.123 210 L CA 0.323 55.195 54.840 0.053 0.000 0.900 210 L CB -0.579 41.508 42.059 0.046 0.000 1.146 210 L HN 0.093 nan 8.230 nan 0.000 0.484 211 G N 1.494 110.339 108.800 0.075 0.000 2.341 211 G HA2 -0.279 3.664 3.960 -0.029 0.000 0.292 211 G HA3 -0.279 3.664 3.960 -0.029 0.000 0.292 211 G C 0.165 175.202 174.900 0.229 0.000 1.021 211 G CA 0.334 45.514 45.100 0.134 0.000 0.905 211 G HN 0.280 nan 8.290 nan 0.000 0.508 212 L N -1.004 120.322 121.223 0.172 0.000 2.469 212 L HA 0.690 5.013 4.340 -0.029 0.000 0.253 212 L C 1.156 178.183 176.870 0.261 0.000 1.143 212 L CA -1.238 53.733 54.840 0.218 0.000 0.804 212 L CB 0.432 42.562 42.059 0.120 0.000 1.214 212 L HN 0.018 nan 8.230 nan 0.000 0.476 213 M N 0.766 120.529 119.600 0.272 0.000 2.409 213 M HA 0.392 4.855 4.480 -0.029 0.000 0.329 213 M C -0.049 176.287 176.300 0.061 0.000 1.180 213 M CA -0.613 54.771 55.300 0.141 0.000 1.053 213 M CB 1.432 34.087 32.600 0.092 0.000 1.586 213 M HN 0.673 nan 8.290 nan 0.000 0.461 214 A N 2.430 125.257 122.820 0.012 0.000 2.450 214 A HA 0.525 4.828 4.320 -0.029 0.000 0.255 214 A C 0.060 177.612 177.584 -0.054 0.000 1.096 214 A CA -0.516 51.514 52.037 -0.012 0.000 0.778 214 A CB -0.072 18.917 19.000 -0.019 0.000 1.031 214 A HN 0.747 nan 8.150 nan 0.000 0.494 215 V N 1.012 120.881 119.914 -0.074 0.000 3.177 215 V HA 0.657 4.760 4.120 -0.029 0.000 0.319 215 V C 0.161 176.124 176.094 -0.219 0.000 1.125 215 V CA -1.137 61.059 62.300 -0.174 0.000 1.029 215 V CB 1.571 33.257 31.823 -0.230 0.000 1.119 215 V HN 0.934 nan 8.190 nan 0.000 0.452 216 N N 1.041 119.532 118.700 -0.349 0.000 2.493 216 N HA 0.285 5.007 4.740 -0.029 0.000 0.275 216 N C 0.237 175.555 175.510 -0.320 0.000 1.186 216 N CA -0.171 52.687 53.050 -0.319 0.000 0.978 216 N CB 1.655 39.872 38.487 -0.450 0.000 1.184 216 N HN 0.740 nan 8.380 nan 0.000 0.487 217 Q N 0.965 120.710 119.800 -0.092 0.000 2.316 217 Q HA 0.135 4.458 4.340 -0.029 0.000 0.235 217 Q C 0.443 176.559 176.000 0.195 0.000 0.863 217 Q CA 0.359 56.227 55.803 0.108 0.000 0.939 217 Q CB 0.343 29.165 28.738 0.139 0.000 1.108 217 Q HN 0.675 nan 8.270 nan 0.000 0.522 218 E N 0.645 120.925 120.200 0.133 0.000 2.318 218 E HA 0.225 4.558 4.350 -0.029 0.000 0.193 218 E C -0.374 176.371 176.600 0.242 0.000 0.998 218 E CA 0.284 56.816 56.400 0.220 0.000 0.859 218 E CB 0.690 30.569 29.700 0.299 0.000 0.812 218 E HN 0.217 nan 8.360 nan 0.000 0.492 219 A N -0.492 122.408 122.820 0.134 0.000 2.547 219 A HA 0.605 4.908 4.320 -0.029 0.000 0.297 219 A C -1.853 175.773 177.584 0.069 0.000 1.056 219 A CA -0.752 51.424 52.037 0.232 0.000 0.688 219 A CB 0.644 19.813 19.000 0.281 0.000 1.282 219 A HN 0.121 nan 8.150 nan 0.000 0.400 220 W N 0.343 121.742 121.300 0.165 0.000 2.781 220 W HA 0.577 5.219 4.660 -0.029 0.000 0.345 220 W C -0.660 175.748 176.519 -0.184 0.000 1.085 220 W CA -0.051 57.276 57.345 -0.028 0.000 1.198 220 W CB 1.881 31.334 29.460 -0.011 0.000 1.423 220 W HN 0.658 nan 8.180 nan 0.000 0.532 221 D N 0.858 121.079 120.400 -0.297 0.000 2.479 221 D HA 0.191 4.813 4.640 -0.029 0.000 0.247 221 D C -0.141 176.111 176.300 -0.080 0.000 1.119 221 D CA -0.149 53.594 54.000 -0.428 0.000 0.922 221 D CB -0.548 39.692 40.800 -0.933 0.000 1.014 221 D HN 0.593 nan 8.370 nan 0.000 0.510 222 H N 1.981 121.096 119.070 0.076 0.000 2.692 222 H HA -0.218 4.321 4.556 -0.029 0.000 0.316 222 H C 1.304 176.724 175.328 0.152 0.000 1.176 222 H CA 0.232 56.359 56.048 0.132 0.000 1.142 222 H CB -0.941 28.958 29.762 0.227 0.000 1.475 222 H HN 0.716 nan 8.280 nan 0.000 0.423 223 G N -0.734 108.208 108.800 0.236 0.000 2.212 223 G HA2 -0.337 3.606 3.960 -0.029 0.000 0.266 223 G HA3 -0.337 3.606 3.960 -0.029 0.000 0.266 223 G C 0.340 175.389 174.900 0.248 0.000 0.978 223 G CA 0.518 45.702 45.100 0.140 0.000 0.632 223 G HN 0.436 nan 8.290 nan 0.000 0.537 224 L N 0.519 121.865 121.223 0.205 0.000 2.375 224 L HA 0.766 5.089 4.340 -0.029 0.000 0.268 224 L C 1.071 177.943 176.870 0.005 0.000 1.058 224 L CA -0.582 54.297 54.840 0.067 0.000 0.803 224 L CB 1.467 43.447 42.059 -0.130 0.000 1.212 224 L HN 0.271 nan 8.230 nan 0.000 0.451 225 A N 1.209 123.955 122.820 -0.123 0.000 2.351 225 A HA 0.476 4.779 4.320 -0.029 0.000 0.257 225 A C -1.039 176.294 177.584 -0.418 0.000 1.087 225 A CA 0.020 51.845 52.037 -0.353 0.000 0.798 225 A CB 0.315 19.176 19.000 -0.232 0.000 1.033 225 A HN 0.629 nan 8.150 nan 0.000 0.488 226 Y N -0.341 119.673 120.300 -0.477 0.000 2.659 226 Y HA 0.511 5.043 4.550 -0.029 0.000 0.333 226 Y C 0.184 175.809 175.900 -0.458 0.000 1.064 226 Y CA -1.106 56.726 58.100 -0.447 0.000 1.141 226 Y CB 1.673 39.879 38.460 -0.422 0.000 1.316 226 Y HN 0.516 nan 8.280 nan 0.000 0.509 227 L N 2.698 123.731 121.223 -0.316 0.000 2.418 227 L HA 0.313 4.635 4.340 -0.029 0.000 0.265 227 L C -2.358 174.365 176.870 -0.245 0.000 1.143 227 L CA -1.884 52.776 54.840 -0.301 0.000 0.809 227 L CB 0.500 42.318 42.059 -0.403 0.000 1.124 227 L HN 0.273 nan 8.230 nan 0.000 0.456 228 P HA 0.070 nan 4.420 nan 0.000 0.272 228 P C -0.851 176.387 177.300 -0.105 0.000 1.230 228 P CA -0.143 62.856 63.100 -0.167 0.000 0.788 228 P CB 0.410 32.063 31.700 -0.078 0.000 0.949 229 F N 0.800 120.769 119.950 0.031 0.000 2.370 229 F HA 0.271 4.781 4.527 -0.029 0.000 0.324 229 F C 1.254 177.054 175.800 -0.001 0.000 1.116 229 F CA -0.122 57.884 58.000 0.009 0.000 1.123 229 F CB 0.180 39.168 39.000 -0.019 0.000 1.238 229 F HN 0.184 nan 8.300 nan 0.000 0.536 230 N N 1.445 120.291 118.700 0.243 0.000 2.455 230 N HA 0.048 4.771 4.740 -0.029 0.000 0.280 230 N C 0.635 176.196 175.510 0.085 0.000 1.055 230 N CA -0.100 53.024 53.050 0.123 0.000 0.961 230 N CB 0.694 39.239 38.487 0.097 0.000 1.121 230 N HN 0.765 nan 8.380 nan 0.000 0.476 231 N N 2.317 121.057 118.700 0.066 0.000 2.354 231 N HA -0.091 4.632 4.740 -0.029 0.000 0.179 231 N C 0.244 175.766 175.510 0.020 0.000 1.021 231 N CA 0.334 53.407 53.050 0.038 0.000 0.887 231 N CB 0.287 38.798 38.487 0.040 0.000 0.974 231 N HN 0.302 nan 8.380 nan 0.000 0.437 232 K N 1.436 121.854 120.400 0.029 0.000 2.472 232 K HA -0.005 4.298 4.320 -0.029 0.000 0.280 232 K C -0.867 175.732 176.600 -0.000 0.000 1.028 232 K CA 0.566 56.864 56.287 0.018 0.000 1.045 232 K CB 0.479 32.999 32.500 0.032 0.000 0.902 232 K HN 0.211 nan 8.250 nan 0.000 0.478 233 K N 4.682 125.076 120.400 -0.009 0.000 2.339 233 K HA 0.430 4.732 4.320 -0.029 0.000 0.264 233 K C -2.621 173.965 176.600 -0.023 0.000 0.986 233 K CA -1.369 54.907 56.287 -0.017 0.000 0.866 233 K CB 1.655 34.143 32.500 -0.019 0.000 1.103 233 K HN 0.455 nan 8.250 nan 0.000 0.441 234 P HA 0.027 nan 4.420 nan 0.000 0.409 234 P C -2.034 175.251 177.300 -0.024 0.000 1.747 234 P CA -0.465 62.616 63.100 -0.032 0.000 1.419 234 P CB 1.287 32.948 31.700 -0.066 0.000 2.875 235 S N 3.077 118.775 115.700 -0.004 0.000 2.500 235 S HA 0.623 5.076 4.470 -0.029 0.000 0.301 235 S C -1.630 172.977 174.600 0.012 0.000 1.092 235 S CA -1.680 56.517 58.200 -0.006 0.000 1.030 235 S CB 1.356 64.547 63.200 -0.015 0.000 1.031 235 S HN 0.240 nan 8.310 nan 0.000 0.483 236 P HA 0.037 nan 4.420 nan 0.000 0.220 236 P C 1.113 178.439 177.300 0.043 0.000 1.152 236 P CA 0.836 63.904 63.100 -0.053 0.000 0.812 236 P CB -0.099 31.354 31.700 -0.411 0.000 0.792 237 c N 0.084 118.720 118.600 0.061 0.000 2.432 237 c HA 0.004 4.557 4.570 -0.029 0.000 0.280 237 c C 2.738 176.869 174.090 0.069 0.000 1.353 237 c CA 0.600 56.986 56.329 0.096 0.000 1.766 237 c CB -1.637 40.903 42.510 0.050 0.000 1.924 237 c HN 0.343 nan 8.230 nan 0.000 0.509 238 E N -0.163 120.064 120.200 0.044 0.000 2.076 238 E HA -0.136 4.197 4.350 -0.029 0.000 0.190 238 E C 1.783 178.415 176.600 0.054 0.000 0.979 238 E CA 0.807 57.214 56.400 0.012 0.000 0.807 238 E CB -0.180 29.516 29.700 -0.006 0.000 0.761 238 E HN 0.673 nan 8.360 nan 0.000 0.454 239 F N 1.787 121.726 119.950 -0.019 0.000 2.126 239 F HA -0.208 4.302 4.527 -0.029 0.000 0.299 239 F C 1.954 177.769 175.800 0.024 0.000 1.096 239 F CA 1.516 59.527 58.000 0.019 0.000 1.255 239 F CB -0.193 38.859 39.000 0.086 0.000 0.997 239 F HN 0.064 nan 8.300 nan 0.000 0.479 240 I N -0.990 119.611 120.570 0.051 0.000 3.241 240 I HA -0.043 4.110 4.170 -0.029 0.000 0.280 240 I C 0.078 176.147 176.117 -0.080 0.000 1.320 240 I CA 1.010 62.302 61.300 -0.013 0.000 1.413 240 I CB -0.890 37.145 38.000 0.058 0.000 1.060 240 I HN 0.293 nan 8.210 nan 0.000 0.500 241 N N 0.449 119.052 118.700 -0.162 0.000 3.357 241 N HA -0.010 4.713 4.740 -0.029 0.000 0.206 241 N C 0.453 175.804 175.510 -0.265 0.000 1.458 241 N CA 0.596 53.478 53.050 -0.280 0.000 0.776 241 N CB 0.310 38.486 38.487 -0.520 0.000 1.626 241 N HN 0.241 nan 8.380 nan 0.000 0.644 242 T N -1.754 112.659 114.554 -0.235 0.000 3.155 242 T HA -0.018 4.315 4.350 -0.029 0.000 0.264 242 T C 1.223 175.818 174.700 -0.175 0.000 1.160 242 T CA 1.182 63.176 62.100 -0.177 0.000 1.075 242 T CB -0.057 68.719 68.868 -0.152 0.000 0.921 242 T HN 0.273 nan 8.240 nan 0.000 0.533 243 T N 1.050 115.468 114.554 -0.228 0.000 3.031 243 T HA 0.403 4.736 4.350 -0.029 0.000 0.254 243 T C 2.324 176.889 174.700 -0.225 0.000 1.060 243 T CA 0.508 62.481 62.100 -0.212 0.000 1.135 243 T CB -0.179 68.549 68.868 -0.234 0.000 0.896 243 T HN 0.546 nan 8.240 nan 0.000 0.472 244 A N 1.127 123.764 122.820 -0.305 0.000 2.030 244 A HA 0.226 4.529 4.320 -0.029 0.000 0.215 244 A C 0.967 178.455 177.584 -0.160 0.000 1.164 244 A CA 0.028 51.909 52.037 -0.260 0.000 0.697 244 A CB -0.216 18.532 19.000 -0.419 0.000 0.827 244 A HN 0.423 nan 8.150 nan 0.000 0.457 245 R N -0.939 119.463 120.500 -0.163 0.000 3.092 245 R HA -0.135 4.188 4.340 -0.029 0.000 0.245 245 R C -1.228 174.964 176.300 -0.181 0.000 0.881 245 R CA 0.623 56.636 56.100 -0.145 0.000 0.614 245 R CB -1.945 28.277 30.300 -0.130 0.000 1.128 245 R HN 0.244 nan 8.270 nan 0.000 0.483 246 V N 1.951 121.770 119.914 -0.159 0.000 2.350 246 V HA 0.317 4.419 4.120 -0.029 0.000 0.285 246 V C -1.207 174.717 176.094 -0.283 0.000 1.014 246 V CA -1.691 60.457 62.300 -0.254 0.000 0.831 246 V CB 1.634 33.425 31.823 -0.053 0.000 1.000 246 V HN 0.209 nan 8.190 nan 0.000 0.433 247 P HA 0.146 nan 4.420 nan 0.000 0.273 247 P C -0.055 177.143 177.300 -0.170 0.000 1.250 247 P CA -0.274 62.658 63.100 -0.280 0.000 0.793 247 P CB 0.819 32.329 31.700 -0.315 0.000 1.011 248 c N -0.006 118.547 118.600 -0.078 0.000 2.580 248 c HA 0.324 4.877 4.570 -0.029 0.000 0.371 248 c C 0.939 174.993 174.090 -0.060 0.000 1.308 248 c CA -0.187 56.075 56.329 -0.112 0.000 2.428 248 c CB -1.201 41.346 42.510 0.061 0.000 2.529 248 c HN 0.384 nan 8.230 nan 0.000 0.657 249 F N 1.124 121.119 119.950 0.075 0.000 2.410 249 F HA 0.445 4.955 4.527 -0.028 0.000 0.334 249 F C 0.322 176.082 175.800 -0.066 0.000 1.134 249 F CA -0.566 57.418 58.000 -0.027 0.000 1.227 249 F CB 0.173 39.091 39.000 -0.137 0.000 1.194 249 F HN 0.208 nan 8.300 nan 0.000 0.571 250 L N 2.458 123.750 121.223 0.115 0.000 2.282 250 L HA 0.775 5.098 4.340 -0.029 0.000 0.288 250 L C -0.370 176.435 176.870 -0.108 0.000 1.033 250 L CA -0.260 54.571 54.840 -0.016 0.000 0.807 250 L CB 0.190 42.246 42.059 -0.006 0.000 1.209 250 L HN 0.740 nan 8.230 nan 0.000 0.423 251 A N 3.025 125.722 122.820 -0.205 0.000 2.568 251 A HA 0.621 4.923 4.320 -0.029 0.000 0.291 251 A C 0.765 178.174 177.584 -0.291 0.000 1.159 251 A CA -0.108 51.784 52.037 -0.240 0.000 0.679 251 A CB 0.349 19.160 19.000 -0.315 0.000 1.285 251 A HN 0.785 nan 8.150 nan 0.000 0.428 252 G N -0.876 107.797 108.800 -0.212 0.000 2.448 252 G HA2 0.124 4.067 3.960 -0.029 0.000 0.219 252 G HA3 0.124 4.067 3.960 -0.029 0.000 0.219 252 G C 0.231 174.994 174.900 -0.229 0.000 1.127 252 G CA 1.608 46.600 45.100 -0.179 0.000 0.766 252 G HN 0.830 nan 8.290 nan 0.000 0.552 253 D N -2.268 117.990 120.400 -0.236 0.000 2.362 253 D HA 0.467 5.090 4.640 -0.029 0.000 0.247 253 D C 0.537 176.632 176.300 -0.341 0.000 1.050 253 D CA -0.864 52.999 54.000 -0.228 0.000 0.839 253 D CB 1.152 41.898 40.800 -0.090 0.000 1.283 253 D HN -0.055 nan 8.370 nan 0.000 0.477 254 F N 1.273 121.104 119.950 -0.198 0.000 2.451 254 F HA 0.086 4.596 4.527 -0.029 0.000 0.299 254 F C 1.993 177.684 175.800 -0.182 0.000 1.101 254 F CA 0.507 58.419 58.000 -0.147 0.000 1.436 254 F CB 0.011 38.983 39.000 -0.047 0.000 1.074 254 F HN 0.282 nan 8.300 nan 0.000 0.553 255 R N -0.089 120.296 120.500 -0.191 0.000 2.310 255 R HA 0.183 4.505 4.340 -0.029 0.000 0.202 255 R C 2.240 178.485 176.300 -0.091 0.000 0.933 255 R CA 0.463 56.450 56.100 -0.188 0.000 1.054 255 R CB -0.339 29.666 30.300 -0.491 0.000 0.985 255 R HN 0.200 nan 8.270 nan 0.000 0.489 256 A N 0.859 123.582 122.820 -0.161 0.000 1.927 256 A HA -0.212 4.091 4.320 -0.029 0.000 0.220 256 A C 1.883 179.408 177.584 -0.099 0.000 1.185 256 A CA 1.925 53.776 52.037 -0.310 0.000 0.639 256 A CB -0.348 18.232 19.000 -0.700 0.000 0.820 256 A HN 0.225 nan 8.150 nan 0.000 0.451 257 S N -0.494 115.196 115.700 -0.018 0.000 2.671 257 S HA 0.036 4.489 4.470 -0.029 0.000 0.220 257 S C 1.463 175.924 174.600 -0.231 0.000 0.951 257 S CA 0.242 58.458 58.200 0.027 0.000 0.932 257 S CB -0.042 63.240 63.200 0.136 0.000 0.777 257 S HN 0.612 nan 8.310 nan 0.000 0.508 258 E N 1.748 121.738 120.200 -0.350 0.000 2.160 258 E HA -0.140 4.193 4.350 -0.029 0.000 0.195 258 E C 0.704 177.044 176.600 -0.433 0.000 0.991 258 E CA 0.951 56.939 56.400 -0.687 0.000 0.810 258 E CB 0.182 29.685 29.700 -0.327 0.000 0.742 258 E HN 0.506 nan 8.360 nan 0.000 0.466 259 Q N -0.349 119.352 119.800 -0.165 0.000 2.430 259 Q HA 0.059 4.382 4.340 -0.029 0.000 0.253 259 Q C 0.397 176.391 176.000 -0.009 0.000 0.945 259 Q CA -0.188 55.607 55.803 -0.014 0.000 0.964 259 Q CB 0.700 29.475 28.738 0.062 0.000 1.460 259 Q HN 0.172 nan 8.270 nan 0.000 0.428 260 I N 2.925 123.479 120.570 -0.027 0.000 2.290 260 I HA -0.335 3.818 4.170 -0.029 0.000 0.253 260 I C 1.434 177.540 176.117 -0.018 0.000 1.112 260 I CA 1.337 62.616 61.300 -0.034 0.000 1.377 260 I CB 0.211 38.150 38.000 -0.102 0.000 1.060 260 I HN 0.626 nan 8.210 nan 0.000 0.428 261 L N -0.549 120.663 121.223 -0.018 0.000 2.492 261 L HA -0.061 4.261 4.340 -0.029 0.000 0.223 261 L C 1.660 178.528 176.870 -0.004 0.000 1.132 261 L CA 1.158 55.990 54.840 -0.014 0.000 0.850 261 L CB -0.207 41.844 42.059 -0.012 0.000 0.966 261 L HN 0.277 nan 8.230 nan 0.000 0.454 262 L N -1.466 119.763 121.223 0.009 0.000 2.357 262 L HA 0.289 4.612 4.340 -0.029 0.000 0.211 262 L C 2.290 179.245 176.870 0.141 0.000 1.075 262 L CA 1.403 56.263 54.840 0.032 0.000 0.830 262 L CB -0.486 41.583 42.059 0.016 0.000 0.996 262 L HN 0.048 nan 8.230 nan 0.000 0.467 263 A N -1.071 121.804 122.820 0.093 0.000 1.968 263 A HA -0.079 4.224 4.320 -0.029 0.000 0.217 263 A C 2.157 179.715 177.584 -0.043 0.000 1.169 263 A CA 1.893 53.967 52.037 0.061 0.000 0.638 263 A CB -1.009 18.107 19.000 0.194 0.000 0.812 263 A HN 0.457 nan 8.150 nan 0.000 0.446 264 T N 0.297 114.839 114.554 -0.021 0.000 2.701 264 T HA -0.024 4.309 4.350 -0.029 0.000 0.263 264 T C 2.248 176.930 174.700 -0.029 0.000 1.040 264 T CA 1.592 63.662 62.100 -0.050 0.000 1.147 264 T CB -0.433 68.416 68.868 -0.031 0.000 0.865 264 T HN 0.572 nan 8.240 nan 0.000 0.426 265 A N 1.044 123.870 122.820 0.010 0.000 2.024 265 A HA -0.193 4.110 4.320 -0.029 0.000 0.220 265 A C 2.071 179.629 177.584 -0.043 0.000 1.164 265 A CA 1.401 53.457 52.037 0.031 0.000 0.643 265 A CB -0.784 18.234 19.000 0.031 0.000 0.806 265 A HN 0.571 nan 8.150 nan 0.000 0.451 266 H N -0.600 118.407 119.070 -0.104 0.000 2.357 266 H HA -0.083 4.456 4.556 -0.028 0.000 0.301 266 H C 2.284 177.498 175.328 -0.190 0.000 1.082 266 H CA 1.942 57.898 56.048 -0.154 0.000 1.342 266 H CB -0.302 29.350 29.762 -0.183 0.000 1.389 266 H HN 0.468 nan 8.280 nan 0.000 0.511 267 T N 1.577 116.072 114.554 -0.099 0.000 2.720 267 T HA -0.132 4.201 4.350 -0.029 0.000 0.268 267 T C 2.174 176.787 174.700 -0.144 0.000 1.037 267 T CA 0.806 62.806 62.100 -0.167 0.000 1.144 267 T CB -0.267 68.493 68.868 -0.179 0.000 0.864 267 T HN 0.023 nan 8.240 nan 0.000 0.444 268 L N 0.699 121.851 121.223 -0.119 0.000 2.046 268 L HA 0.021 4.344 4.340 -0.029 0.000 0.208 268 L C 2.341 179.109 176.870 -0.169 0.000 1.077 268 L CA 1.448 56.200 54.840 -0.147 0.000 0.747 268 L CB -1.101 40.886 42.059 -0.120 0.000 0.896 268 L HN 0.302 nan 8.230 nan 0.000 0.432 269 L N -1.674 119.467 121.223 -0.137 0.000 2.141 269 L HA -0.203 4.120 4.340 -0.029 0.000 0.209 269 L C 2.451 179.226 176.870 -0.158 0.000 1.094 269 L CA 0.592 55.338 54.840 -0.155 0.000 0.763 269 L CB -0.442 41.530 42.059 -0.144 0.000 0.908 269 L HN 0.261 nan 8.230 nan 0.000 0.437 270 L N -0.093 121.043 121.223 -0.146 0.000 2.027 270 L HA -0.157 4.166 4.340 -0.029 0.000 0.206 270 L C 2.796 179.624 176.870 -0.070 0.000 1.074 270 L CA 1.545 56.313 54.840 -0.119 0.000 0.745 270 L CB -0.317 41.660 42.059 -0.136 0.000 0.898 270 L HN 0.055 nan 8.230 nan 0.000 0.433 271 R N -0.570 119.860 120.500 -0.115 0.000 2.105 271 R HA -0.229 4.094 4.340 -0.029 0.000 0.239 271 R C 2.198 178.423 176.300 -0.124 0.000 1.135 271 R CA 1.557 57.586 56.100 -0.118 0.000 0.967 271 R CB -0.385 29.822 30.300 -0.155 0.000 0.861 271 R HN 0.382 nan 8.270 nan 0.000 0.442 272 E N 0.065 120.167 120.200 -0.163 0.000 2.150 272 E HA -0.199 4.134 4.350 -0.029 0.000 0.193 272 E C 1.706 178.221 176.600 -0.142 0.000 0.985 272 E CA 1.475 57.749 56.400 -0.210 0.000 0.814 272 E CB -0.099 29.397 29.700 -0.340 0.000 0.752 272 E HN 0.428 nan 8.360 nan 0.000 0.466 273 H N 0.010 118.999 119.070 -0.135 0.000 2.276 273 H HA -0.007 4.531 4.556 -0.029 0.000 0.301 273 H C 1.717 177.021 175.328 -0.040 0.000 1.073 273 H CA 2.246 58.262 56.048 -0.054 0.000 1.311 273 H CB -0.318 29.460 29.762 0.028 0.000 1.379 273 H HN 0.105 nan 8.280 nan 0.000 0.494 274 N N 0.255 118.936 118.700 -0.031 0.000 2.137 274 N HA -0.177 4.546 4.740 -0.029 0.000 0.190 274 N C 2.048 177.487 175.510 -0.119 0.000 1.017 274 N CA 1.343 54.359 53.050 -0.058 0.000 0.859 274 N CB -0.375 38.125 38.487 0.022 0.000 1.002 274 N HN 0.459 nan 8.380 nan 0.000 0.428 275 R N 0.098 120.522 120.500 -0.126 0.000 2.066 275 R HA -0.026 4.297 4.340 -0.029 0.000 0.232 275 R C 1.612 177.821 176.300 -0.152 0.000 1.131 275 R CA 0.839 56.864 56.100 -0.125 0.000 0.955 275 R CB -0.254 29.965 30.300 -0.135 0.000 0.851 275 R HN 0.033 nan 8.270 nan 0.000 0.432 276 L N 1.067 122.169 121.223 -0.203 0.000 2.042 276 L HA -0.086 4.237 4.340 -0.029 0.000 0.210 276 L C 2.532 179.283 176.870 -0.200 0.000 1.076 276 L CA 2.062 56.772 54.840 -0.217 0.000 0.749 276 L CB -1.380 40.529 42.059 -0.250 0.000 0.893 276 L HN 0.360 nan 8.230 nan 0.000 0.432 277 A N 0.168 122.834 122.820 -0.256 0.000 1.972 277 A HA -0.211 4.091 4.320 -0.029 0.000 0.219 277 A C 2.347 179.887 177.584 -0.074 0.000 1.169 277 A CA 1.689 53.615 52.037 -0.185 0.000 0.635 277 A CB -0.406 18.442 19.000 -0.253 0.000 0.810 277 A HN 0.584 nan 8.150 nan 0.000 0.446 278 R N -1.515 118.941 120.500 -0.072 0.000 2.140 278 R HA 0.088 4.411 4.340 -0.029 0.000 0.213 278 R C 1.408 177.688 176.300 -0.034 0.000 1.059 278 R CA 0.894 56.973 56.100 -0.034 0.000 1.000 278 R CB -0.368 29.916 30.300 -0.028 0.000 0.910 278 R HN 0.231 nan 8.270 nan 0.000 0.455 279 E N 1.588 121.754 120.200 -0.057 0.000 2.153 279 E HA -0.097 4.236 4.350 -0.029 0.000 0.194 279 E C 2.090 178.667 176.600 -0.039 0.000 0.988 279 E CA 0.962 57.330 56.400 -0.054 0.000 0.811 279 E CB -0.085 29.567 29.700 -0.081 0.000 0.746 279 E HN 0.415 nan 8.360 nan 0.000 0.466 280 L N 0.410 121.619 121.223 -0.024 0.000 2.072 280 L HA -0.138 4.185 4.340 -0.029 0.000 0.205 280 L C 2.480 179.372 176.870 0.037 0.000 1.079 280 L CA 0.987 55.849 54.840 0.038 0.000 0.752 280 L CB -0.353 41.792 42.059 0.143 0.000 0.906 280 L HN 0.036 nan 8.230 nan 0.000 0.436 281 K N 1.375 121.804 120.400 0.048 0.000 2.063 281 K HA -0.240 4.062 4.320 -0.029 0.000 0.208 281 K C 1.994 178.593 176.600 -0.003 0.000 1.048 281 K CA 1.627 57.940 56.287 0.043 0.000 0.928 281 K CB -0.209 32.318 32.500 0.045 0.000 0.713 281 K HN 0.047 nan 8.250 nan 0.000 0.442 282 K N -0.215 120.179 120.400 -0.009 0.000 2.515 282 K HA -0.022 4.281 4.320 -0.029 0.000 0.196 282 K C 1.373 177.957 176.600 -0.027 0.000 1.038 282 K CA 0.807 57.085 56.287 -0.014 0.000 0.967 282 K CB 0.084 32.576 32.500 -0.014 0.000 0.780 282 K HN 0.305 nan 8.250 nan 0.000 0.483 283 L N -0.422 120.768 121.223 -0.055 0.000 2.840 283 L HA 0.223 4.546 4.340 -0.029 0.000 0.249 283 L C -0.529 176.254 176.870 -0.145 0.000 1.119 283 L CA 0.312 55.108 54.840 -0.073 0.000 0.930 283 L CB 0.475 42.499 42.059 -0.058 0.000 1.295 283 L HN 0.121 nan 8.230 nan 0.000 0.534 284 N N 0.210 118.763 118.700 -0.245 0.000 2.703 284 N HA 0.178 4.901 4.740 -0.029 0.000 0.283 284 N C -2.193 173.121 175.510 -0.327 0.000 1.851 284 N CA -0.987 51.749 53.050 -0.523 0.000 0.826 284 N CB 1.345 38.950 38.487 -1.471 0.000 1.239 284 N HN -0.059 nan 8.380 nan 0.000 0.495 285 P HA -0.261 nan 4.420 nan 0.000 0.218 285 P C 1.192 178.573 177.300 0.135 0.000 1.152 285 P CA 1.452 64.609 63.100 0.094 0.000 0.857 285 P CB -0.006 31.764 31.700 0.116 0.000 0.787 286 H N -3.953 115.123 119.070 0.011 0.000 2.495 286 H HA -0.049 4.490 4.556 -0.029 0.000 0.287 286 H C 0.461 175.924 175.328 0.225 0.000 1.033 286 H CA 0.087 56.184 56.048 0.083 0.000 1.307 286 H CB -1.335 28.460 29.762 0.055 0.000 1.401 286 H HN 0.134 nan 8.280 nan 0.000 0.555 287 W N 4.272 125.380 121.300 -0.319 0.000 2.223 287 W HA 0.045 4.687 4.660 -0.029 0.000 0.334 287 W C 0.510 176.997 176.519 -0.052 0.000 1.334 287 W CA -0.585 56.652 57.345 -0.179 0.000 1.246 287 W CB -0.059 29.287 29.460 -0.190 0.000 1.184 287 W HN 0.349 nan 8.180 nan 0.000 0.563 288 N N 0.500 119.295 118.700 0.158 0.000 2.413 288 N HA 0.406 5.129 4.740 -0.029 0.000 0.266 288 N C 1.195 176.734 175.510 0.049 0.000 1.238 288 N CA -0.023 53.078 53.050 0.086 0.000 0.972 288 N CB -0.241 38.279 38.487 0.056 0.000 1.210 288 N HN 0.382 nan 8.380 nan 0.000 0.547 289 G N -0.493 108.330 108.800 0.038 0.000 2.476 289 G HA2 -0.365 3.578 3.960 -0.029 0.000 0.218 289 G HA3 -0.365 3.578 3.960 -0.029 0.000 0.218 289 G C 1.213 176.124 174.900 0.017 0.000 1.164 289 G CA 1.221 46.339 45.100 0.030 0.000 0.768 289 G HN 0.731 nan 8.290 nan 0.000 0.560 290 E N 0.518 120.710 120.200 -0.013 0.000 2.118 290 E HA -0.131 4.202 4.350 -0.029 0.000 0.195 290 E C 2.294 178.852 176.600 -0.070 0.000 0.992 290 E CA 1.522 57.910 56.400 -0.022 0.000 0.804 290 E CB -0.199 29.483 29.700 -0.030 0.000 0.741 290 E HN 0.459 nan 8.360 nan 0.000 0.458 291 K N -0.712 119.600 120.400 -0.147 0.000 2.103 291 K HA -0.007 4.296 4.320 -0.029 0.000 0.204 291 K C 1.810 178.194 176.600 -0.360 0.000 1.052 291 K CA 0.756 56.828 56.287 -0.358 0.000 0.945 291 K CB -0.095 32.051 32.500 -0.590 0.000 0.722 291 K HN 0.108 nan 8.250 nan 0.000 0.443 292 L N 0.436 121.579 121.223 -0.133 0.000 2.093 292 L HA -0.159 4.164 4.340 -0.029 0.000 0.208 292 L C 2.176 179.004 176.870 -0.071 0.000 1.085 292 L CA 1.633 56.448 54.840 -0.041 0.000 0.755 292 L CB -1.304 40.787 42.059 0.053 0.000 0.904 292 L HN 0.274 nan 8.230 nan 0.000 0.435 293 Y N 1.221 121.441 120.300 -0.133 0.000 2.070 293 Y HA -0.267 4.266 4.550 -0.028 0.000 0.279 293 Y C 2.782 178.549 175.900 -0.222 0.000 1.134 293 Y CA 1.714 59.769 58.100 -0.074 0.000 1.113 293 Y CB -0.251 38.153 38.460 -0.095 0.000 0.981 293 Y HN 0.179 nan 8.280 nan 0.000 0.487 294 Q N 0.305 119.809 119.800 -0.493 0.000 2.135 294 Q HA -0.196 4.127 4.340 -0.029 0.000 0.204 294 Q C 2.043 177.540 176.000 -0.838 0.000 0.981 294 Q CA 1.735 56.992 55.803 -0.910 0.000 0.856 294 Q CB -0.342 27.584 28.738 -1.354 0.000 0.902 294 Q HN 0.627 nan 8.270 nan 0.000 0.425 295 E N 0.245 120.094 120.200 -0.586 0.000 2.107 295 E HA -0.038 4.295 4.350 -0.029 0.000 0.191 295 E C 1.867 178.390 176.600 -0.129 0.000 0.982 295 E CA 0.901 57.153 56.400 -0.246 0.000 0.809 295 E CB -0.017 29.576 29.700 -0.178 0.000 0.756 295 E HN 0.306 nan 8.360 nan 0.000 0.459 296 A N 1.416 124.113 122.820 -0.205 0.000 1.897 296 A HA -0.151 4.152 4.320 -0.029 0.000 0.215 296 A C 2.190 179.734 177.584 -0.066 0.000 1.181 296 A CA 1.449 53.380 52.037 -0.177 0.000 0.620 296 A CB -0.423 18.345 19.000 -0.387 0.000 0.821 296 A HN 0.121 nan 8.150 nan 0.000 0.443 297 R N 0.030 120.389 120.500 -0.235 0.000 2.120 297 R HA -0.122 4.201 4.340 -0.029 0.000 0.234 297 R C 2.078 178.274 176.300 -0.175 0.000 1.123 297 R CA 1.837 57.682 56.100 -0.425 0.000 0.975 297 R CB -0.213 29.326 30.300 -1.269 0.000 0.866 297 R HN 0.500 nan 8.270 nan 0.000 0.446 298 K N 0.175 120.504 120.400 -0.119 0.000 2.228 298 K HA -0.013 4.290 4.320 -0.029 0.000 0.202 298 K C 1.810 178.609 176.600 0.333 0.000 1.051 298 K CA 0.825 57.161 56.287 0.082 0.000 0.960 298 K CB 0.093 32.646 32.500 0.089 0.000 0.743 298 K HN 0.215 nan 8.250 nan 0.000 0.458 299 I N 0.622 121.348 120.570 0.260 0.000 2.333 299 I HA -0.211 3.942 4.170 -0.029 0.000 0.246 299 I C 2.025 178.231 176.117 0.149 0.000 1.106 299 I CA 0.421 61.889 61.300 0.279 0.000 1.411 299 I CB -0.032 38.003 38.000 0.059 0.000 1.082 299 I HN 0.168 nan 8.210 nan 0.000 0.420 300 L N 0.917 122.199 121.223 0.099 0.000 2.131 300 L HA -0.078 4.245 4.340 -0.029 0.000 0.210 300 L C 2.257 179.237 176.870 0.183 0.000 1.092 300 L CA 1.855 56.747 54.840 0.087 0.000 0.759 300 L CB -0.931 41.221 42.059 0.154 0.000 0.903 300 L HN 0.186 nan 8.230 nan 0.000 0.435 301 G N -1.484 107.440 108.800 0.207 0.000 2.403 301 G HA2 -0.188 3.754 3.960 -0.029 0.000 0.216 301 G HA3 -0.188 3.754 3.960 -0.029 0.000 0.216 301 G C 1.626 176.625 174.900 0.166 0.000 1.154 301 G CA 0.607 45.831 45.100 0.208 0.000 0.784 301 G HN 0.555 nan 8.290 nan 0.000 0.538 302 A N 0.525 123.462 122.820 0.195 0.000 1.902 302 A HA 0.037 4.340 4.320 -0.029 0.000 0.217 302 A C 2.115 179.611 177.584 -0.147 0.000 1.181 302 A CA 1.569 53.635 52.037 0.050 0.000 0.623 302 A CB -0.563 18.501 19.000 0.108 0.000 0.818 302 A HN 0.373 nan 8.150 nan 0.000 0.443 303 F N 1.199 120.952 119.950 -0.328 0.000 2.026 303 F HA -0.221 4.289 4.527 -0.027 0.000 0.296 303 F C 2.040 177.764 175.800 -0.127 0.000 1.133 303 F CA 1.870 59.537 58.000 -0.556 0.000 1.188 303 F CB -0.313 38.255 39.000 -0.721 0.000 0.968 303 F HN 0.162 nan 8.300 nan 0.000 0.476 304 I N 0.666 121.261 120.570 0.041 0.000 2.185 304 I HA -0.349 3.803 4.170 -0.029 0.000 0.246 304 I C 2.301 178.553 176.117 0.225 0.000 1.088 304 I CA 1.651 63.085 61.300 0.223 0.000 1.347 304 I CB -1.821 36.330 38.000 0.252 0.000 1.041 304 I HN 0.435 nan 8.210 nan 0.000 0.415 305 Q N 0.068 119.933 119.800 0.107 0.000 2.123 305 Q HA -0.074 4.249 4.340 -0.029 0.000 0.199 305 Q C 2.420 178.484 176.000 0.107 0.000 0.966 305 Q CA 1.112 57.013 55.803 0.163 0.000 0.845 305 Q CB 0.049 28.667 28.738 -0.201 0.000 0.907 305 Q HN 0.511 nan 8.270 nan 0.000 0.439 306 I N 0.633 121.080 120.570 -0.205 0.000 2.233 306 I HA -0.220 3.932 4.170 -0.029 0.000 0.243 306 I C 2.076 178.144 176.117 -0.081 0.000 1.093 306 I CA 0.804 61.979 61.300 -0.208 0.000 1.380 306 I CB -0.343 37.404 38.000 -0.422 0.000 1.067 306 I HN 0.218 nan 8.210 nan 0.000 0.413 307 I N 0.736 121.159 120.570 -0.245 0.000 2.252 307 I HA -0.196 3.957 4.170 -0.029 0.000 0.245 307 I C 2.603 178.636 176.117 -0.140 0.000 1.102 307 I CA 1.591 62.699 61.300 -0.320 0.000 1.385 307 I CB -1.772 35.765 38.000 -0.771 0.000 1.064 307 I HN 0.230 nan 8.210 nan 0.000 0.414 308 T N 1.278 115.947 114.554 0.193 0.000 2.674 308 T HA -0.141 4.192 4.350 -0.029 0.000 0.265 308 T C 1.779 176.613 174.700 0.222 0.000 1.039 308 T CA 1.609 63.949 62.100 0.400 0.000 1.150 308 T CB -0.350 68.865 68.868 0.578 0.000 0.864 308 T HN 0.096 nan 8.240 nan 0.000 0.427 309 F N 0.663 120.730 119.950 0.194 0.000 2.335 309 F HA 0.243 4.753 4.527 -0.029 0.000 0.296 309 F C 2.536 178.411 175.800 0.125 0.000 1.091 309 F CA 0.447 58.566 58.000 0.197 0.000 1.399 309 F CB -0.117 39.126 39.000 0.404 0.000 1.067 309 F HN -0.053 nan 8.300 nan 0.000 0.520 310 R N 0.020 120.665 120.500 0.242 0.000 2.090 310 R HA -0.047 4.276 4.340 -0.029 0.000 0.219 310 R C 1.211 177.519 176.300 0.013 0.000 1.100 310 R CA 1.534 57.715 56.100 0.136 0.000 0.991 310 R CB -0.027 30.346 30.300 0.121 0.000 0.893 310 R HN 0.123 nan 8.270 nan 0.000 0.443 311 D N -0.975 119.371 120.400 -0.089 0.000 2.394 311 D HA -0.074 4.549 4.640 -0.029 0.000 0.226 311 D C 1.378 177.418 176.300 -0.434 0.000 0.990 311 D CA 0.560 54.422 54.000 -0.230 0.000 0.902 311 D CB -0.240 40.408 40.800 -0.255 0.000 1.038 311 D HN 0.146 nan 8.370 nan 0.000 0.499 312 Y N 2.172 122.108 120.300 -0.607 0.000 2.138 312 Y HA 0.013 4.548 4.550 -0.025 0.000 0.286 312 Y C 2.276 178.057 175.900 -0.198 0.000 1.115 312 Y CA 1.141 58.938 58.100 -0.505 0.000 1.105 312 Y CB -0.556 37.717 38.460 -0.312 0.000 1.004 312 Y HN -0.222 nan 8.280 nan 0.000 0.494 313 L N 0.326 121.373 121.223 -0.293 0.000 2.043 313 L HA -0.206 4.116 4.340 -0.029 0.000 0.212 313 L C -0.505 176.197 176.870 -0.279 0.000 1.075 313 L CA 1.657 56.254 54.840 -0.405 0.000 0.752 313 L CB -1.995 39.762 42.059 -0.502 0.000 0.891 313 L HN 0.234 nan 8.230 nan 0.000 0.432 314 P HA -0.170 nan 4.420 nan 0.000 0.221 314 P C 1.442 178.663 177.300 -0.131 0.000 1.145 314 P CA 1.378 64.409 63.100 -0.115 0.000 0.795 314 P CB -0.086 31.573 31.700 -0.069 0.000 0.775 315 I N -6.555 113.909 120.570 -0.178 0.000 3.956 315 I HA 0.119 4.272 4.170 -0.029 0.000 0.333 315 I C 1.159 177.196 176.117 -0.133 0.000 1.302 315 I CA 0.091 61.293 61.300 -0.163 0.000 1.122 315 I CB 0.014 37.900 38.000 -0.190 0.000 1.013 315 I HN -0.262 nan 8.210 nan 0.000 0.405 316 V N 0.685 120.501 119.914 -0.164 0.000 2.521 316 V HA 0.019 4.121 4.120 -0.029 0.000 0.239 316 V C 2.175 178.180 176.094 -0.148 0.000 1.053 316 V CA 0.903 63.127 62.300 -0.128 0.000 1.073 316 V CB -0.023 31.626 31.823 -0.290 0.000 0.746 316 V HN 0.272 nan 8.190 nan 0.000 0.476 317 L N 0.637 121.773 121.223 -0.145 0.000 2.156 317 L HA 0.267 4.590 4.340 -0.029 0.000 0.208 317 L C 1.828 178.678 176.870 -0.033 0.000 1.095 317 L CA 1.718 56.517 54.840 -0.068 0.000 0.770 317 L CB -1.672 40.372 42.059 -0.024 0.000 0.914 317 L HN 0.495 nan 8.230 nan 0.000 0.439 318 G N -0.035 108.730 108.800 -0.058 0.000 2.634 318 G HA2 -0.448 3.494 3.960 -0.029 0.000 0.309 318 G HA3 -0.448 3.494 3.960 -0.029 0.000 0.309 318 G C 1.196 176.085 174.900 -0.018 0.000 1.265 318 G CA 1.533 46.606 45.100 -0.045 0.000 0.998 318 G HN 0.485 nan 8.290 nan 0.000 0.551 319 S N 0.144 115.837 115.700 -0.012 0.000 2.465 319 S HA -0.028 4.425 4.470 -0.029 0.000 0.241 319 S C 1.666 176.272 174.600 0.010 0.000 1.000 319 S CA 2.072 60.268 58.200 -0.006 0.000 0.964 319 S CB -0.057 63.137 63.200 -0.009 0.000 0.763 319 S HN 0.613 nan 8.310 nan 0.000 0.512 320 E N 0.546 120.776 120.200 0.050 0.000 2.435 320 E HA 0.079 4.412 4.350 -0.029 0.000 0.195 320 E C 1.588 178.273 176.600 0.142 0.000 1.029 320 E CA 0.339 56.811 56.400 0.119 0.000 0.865 320 E CB -0.356 29.506 29.700 0.270 0.000 0.833 320 E HN 0.570 nan 8.360 nan 0.000 0.510 321 M N 1.531 121.184 119.600 0.089 0.000 2.103 321 M HA -0.277 4.186 4.480 -0.029 0.000 0.255 321 M C 1.725 178.072 176.300 0.078 0.000 1.074 321 M CA 1.970 57.321 55.300 0.084 0.000 1.090 321 M CB -0.194 32.422 32.600 0.028 0.000 1.325 321 M HN -0.007 nan 8.290 nan 0.000 0.403 322 Q N -1.414 118.397 119.800 0.019 0.000 2.444 322 Q HA -0.027 4.296 4.340 -0.029 0.000 0.206 322 Q C 1.791 177.741 176.000 -0.084 0.000 0.948 322 Q CA 0.696 56.496 55.803 -0.004 0.000 0.946 322 Q CB -0.224 28.507 28.738 -0.011 0.000 1.027 322 Q HN 0.552 nan 8.270 nan 0.000 0.513 323 K N 0.110 120.394 120.400 -0.193 0.000 2.211 323 K HA -0.032 4.270 4.320 -0.029 0.000 0.201 323 K C 0.706 176.955 176.600 -0.585 0.000 1.052 323 K CA 0.847 56.850 56.287 -0.473 0.000 0.973 323 K CB 0.224 32.293 32.500 -0.719 0.000 0.766 323 K HN 0.289 nan 8.250 nan 0.000 0.466 324 W N 0.144 121.458 121.300 0.023 0.000 2.777 324 W HA 0.313 4.954 4.660 -0.031 0.000 0.260 324 W C 0.305 176.862 176.519 0.063 0.000 1.194 324 W CA -0.423 56.944 57.345 0.038 0.000 1.447 324 W CB 0.617 30.109 29.460 0.053 0.000 1.009 324 W HN -0.229 nan 8.180 nan 0.000 0.613 325 I N 2.325 123.058 120.570 0.272 0.000 2.479 325 I HA 0.248 4.401 4.170 -0.029 0.000 0.279 325 I C -2.235 173.984 176.117 0.170 0.000 1.102 325 I CA -1.805 59.637 61.300 0.237 0.000 1.196 325 I CB 0.190 38.346 38.000 0.260 0.000 1.427 325 I HN -0.490 nan 8.210 nan 0.000 0.503 326 P HA 0.140 nan 4.420 nan 0.000 0.271 326 P C -2.347 175.029 177.300 0.127 0.000 1.244 326 P CA -0.768 62.385 63.100 0.089 0.000 0.793 326 P CB -0.252 31.478 31.700 0.049 0.000 0.984 327 P HA 0.006 nan 4.420 nan 0.000 0.268 327 P C -0.771 176.626 177.300 0.161 0.000 1.205 327 P CA 0.080 63.265 63.100 0.141 0.000 0.771 327 P CB 0.024 31.782 31.700 0.097 0.000 0.858 328 Y N 2.656 122.994 120.300 0.063 0.000 2.632 328 Y HA -0.028 4.505 4.550 -0.030 0.000 0.329 328 Y C 1.156 177.064 175.900 0.014 0.000 1.174 328 Y CA 0.807 58.923 58.100 0.026 0.000 1.469 328 Y CB 0.359 38.850 38.460 0.051 0.000 1.242 328 Y HN 0.412 nan 8.280 nan 0.000 0.540 329 Q N 4.705 124.220 119.800 -0.474 0.000 2.171 329 Q HA 0.352 4.675 4.340 -0.029 0.000 0.218 329 Q C 0.313 175.984 176.000 -0.548 0.000 0.822 329 Q CA 0.292 55.857 55.803 -0.396 0.000 0.987 329 Q CB 1.036 29.651 28.738 -0.205 0.000 1.144 329 Q HN 1.000 nan 8.270 nan 0.000 0.494 330 G N 1.161 109.298 108.800 -1.104 0.000 2.406 330 G HA2 -0.199 3.744 3.960 -0.029 0.000 0.680 330 G HA3 -0.199 3.744 3.960 -0.029 0.000 0.680 330 G C -1.612 173.112 174.900 -0.293 0.000 1.338 330 G CA -1.093 43.629 45.100 -0.629 0.000 0.941 330 G HN 0.155 nan 8.290 nan 0.000 0.633 331 Y N 2.083 122.312 120.300 -0.119 0.000 2.677 331 Y HA 0.438 4.970 4.550 -0.029 0.000 0.335 331 Y C 0.428 176.304 175.900 -0.040 0.000 1.162 331 Y CA -0.517 57.579 58.100 -0.008 0.000 1.483 331 Y CB 0.536 39.007 38.460 0.019 0.000 1.209 331 Y HN 0.560 nan 8.280 nan 0.000 0.528 332 N N 5.598 124.051 118.700 -0.410 0.000 2.437 332 N HA 0.059 4.782 4.740 -0.029 0.000 0.259 332 N C 0.368 175.467 175.510 -0.685 0.000 0.983 332 N CA -0.192 52.584 53.050 -0.457 0.000 0.937 332 N CB 0.345 38.711 38.487 -0.202 0.000 1.122 332 N HN 0.933 nan 8.380 nan 0.000 0.499 333 N N 1.023 119.279 118.700 -0.741 0.000 2.494 333 N HA -0.046 4.677 4.740 -0.029 0.000 0.182 333 N C 0.330 175.744 175.510 -0.161 0.000 1.076 333 N CA 0.034 52.793 53.050 -0.485 0.000 0.908 333 N CB 0.211 38.517 38.487 -0.302 0.000 0.967 333 N HN 0.137 nan 8.380 nan 0.000 0.449 334 S N 0.335 115.948 115.700 -0.144 0.000 2.593 334 S HA 0.126 4.578 4.470 -0.029 0.000 0.217 334 S C 0.305 174.892 174.600 -0.021 0.000 0.966 334 S CA -0.269 57.896 58.200 -0.058 0.000 0.914 334 S CB 0.287 63.452 63.200 -0.058 0.000 0.776 334 S HN 0.122 nan 8.310 nan 0.000 0.523 335 V N 2.925 122.827 119.914 -0.021 0.000 2.407 335 V HA 0.223 4.326 4.120 -0.029 0.000 0.278 335 V C -0.103 176.047 176.094 0.092 0.000 1.037 335 V CA -1.009 61.310 62.300 0.032 0.000 0.900 335 V CB 1.387 33.227 31.823 0.030 0.000 0.983 335 V HN 0.154 nan 8.190 nan 0.000 0.459 336 D N 7.986 128.449 120.400 0.104 0.000 2.344 336 D HA 0.180 4.803 4.640 -0.029 0.000 0.253 336 D C -1.100 175.287 176.300 0.145 0.000 1.255 336 D CA -1.855 52.226 54.000 0.135 0.000 0.894 336 D CB 1.481 42.371 40.800 0.150 0.000 1.067 336 D HN 0.293 nan 8.370 nan 0.000 0.492 337 P HA -0.026 nan 4.420 nan 0.000 0.241 337 P C 0.008 177.270 177.300 -0.064 0.000 1.191 337 P CA 0.061 63.219 63.100 0.097 0.000 0.771 337 P CB 0.344 32.193 31.700 0.249 0.000 0.929 338 R N 0.368 120.851 120.500 -0.029 0.000 2.590 338 R HA 0.196 4.519 4.340 -0.029 0.000 0.274 338 R C 0.623 176.851 176.300 -0.120 0.000 1.061 338 R CA -0.567 55.481 56.100 -0.085 0.000 1.081 338 R CB 0.324 30.617 30.300 -0.012 0.000 0.984 338 R HN 0.021 nan 8.270 nan 0.000 0.448 339 I N 2.515 122.972 120.570 -0.189 0.000 2.533 339 I HA -0.048 4.105 4.170 -0.029 0.000 0.284 339 I C 1.151 177.102 176.117 -0.276 0.000 1.109 339 I CA 0.394 61.528 61.300 -0.276 0.000 1.412 339 I CB 0.585 38.475 38.000 -0.182 0.000 1.396 339 I HN 0.716 nan 8.210 nan 0.000 0.543 340 S N 5.549 120.937 115.700 -0.520 0.000 2.614 340 S HA 0.128 4.581 4.470 -0.029 0.000 0.265 340 S C 1.077 175.443 174.600 -0.389 0.000 1.303 340 S CA -0.517 57.237 58.200 -0.742 0.000 1.000 340 S CB 1.177 63.162 63.200 -2.025 0.000 0.935 340 S HN 0.644 nan 8.310 nan 0.000 0.551 341 N N 0.432 118.980 118.700 -0.254 0.000 2.188 341 N HA -0.114 4.609 4.740 -0.029 0.000 0.184 341 N C 1.592 177.086 175.510 -0.026 0.000 1.018 341 N CA 1.282 54.312 53.050 -0.034 0.000 0.858 341 N CB -0.605 37.954 38.487 0.120 0.000 0.989 341 N HN 0.542 nan 8.380 nan 0.000 0.426 342 V N 0.437 120.240 119.914 -0.186 0.000 2.667 342 V HA -0.105 3.997 4.120 -0.029 0.000 0.252 342 V C 1.982 177.963 176.094 -0.188 0.000 1.065 342 V CA 0.980 63.146 62.300 -0.222 0.000 1.083 342 V CB -0.779 30.582 31.823 -0.770 0.000 0.692 342 V HN 0.211 nan 8.190 nan 0.000 0.468 343 F N 2.289 121.995 119.950 -0.407 0.000 2.091 343 F HA -0.236 4.273 4.527 -0.030 0.000 0.299 343 F C 2.650 178.368 175.800 -0.137 0.000 1.103 343 F CA 2.523 60.348 58.000 -0.292 0.000 1.228 343 F CB -0.881 37.899 39.000 -0.366 0.000 0.984 343 F HN 0.389 nan 8.300 nan 0.000 0.477 344 T N -2.503 111.952 114.554 -0.166 0.000 3.077 344 T HA -0.189 4.143 4.350 -0.029 0.000 0.269 344 T C 1.517 175.864 174.700 -0.589 0.000 1.146 344 T CA 1.411 63.294 62.100 -0.362 0.000 1.091 344 T CB -1.000 67.611 68.868 -0.429 0.000 0.892 344 T HN 0.335 nan 8.240 nan 0.000 0.533 345 F N 0.146 119.991 119.950 -0.175 0.000 2.680 345 F HA 0.591 5.101 4.527 -0.029 0.000 0.290 345 F C 2.601 178.426 175.800 0.042 0.000 1.114 345 F CA -0.094 57.866 58.000 -0.067 0.000 1.333 345 F CB -0.148 38.817 39.000 -0.057 0.000 1.091 345 F HN 0.192 nan 8.300 nan 0.000 0.606 346 A N -0.181 122.664 122.820 0.042 0.000 1.929 346 A HA -0.146 4.157 4.320 -0.029 0.000 0.216 346 A C 1.835 179.498 177.584 0.132 0.000 1.176 346 A CA 1.035 53.085 52.037 0.022 0.000 0.628 346 A CB -0.910 18.016 19.000 -0.123 0.000 0.816 346 A HN 0.341 nan 8.150 nan 0.000 0.444 347 F N 0.851 120.613 119.950 -0.314 0.000 2.661 347 F HA 0.096 4.605 4.527 -0.030 0.000 0.298 347 F C 1.952 177.599 175.800 -0.254 0.000 1.137 347 F CA 0.172 58.027 58.000 -0.242 0.000 1.454 347 F CB -0.453 38.159 39.000 -0.647 0.000 1.103 347 F HN 0.190 nan 8.300 nan 0.000 0.577 348 R N -0.289 120.204 120.500 -0.012 0.000 2.328 348 R HA -0.173 4.150 4.340 -0.029 0.000 0.207 348 R C 2.072 178.340 176.300 -0.053 0.000 1.056 348 R CA 0.981 56.941 56.100 -0.232 0.000 1.016 348 R CB -0.780 29.494 30.300 -0.044 0.000 0.872 348 R HN 0.434 nan 8.270 nan 0.000 0.471 349 F N -0.913 119.099 119.950 0.102 0.000 2.287 349 F HA -0.047 4.462 4.527 -0.028 0.000 0.301 349 F C 1.858 177.714 175.800 0.093 0.000 1.069 349 F CA 1.047 59.094 58.000 0.077 0.000 1.372 349 F CB -0.914 38.123 39.000 0.062 0.000 1.056 349 F HN -0.140 nan 8.300 nan 0.000 0.523 350 G N -0.369 107.831 108.800 -1.001 0.000 2.470 350 G HA2 -0.236 3.706 3.960 -0.029 0.000 0.220 350 G HA3 -0.236 3.706 3.960 -0.029 0.000 0.220 350 G C 1.243 176.067 174.900 -0.127 0.000 1.121 350 G CA 0.949 45.622 45.100 -0.712 0.000 0.766 350 G HN 0.638 nan 8.290 nan 0.000 0.553 351 H N -0.196 118.861 119.070 -0.021 0.000 2.456 351 H HA 0.061 4.600 4.556 -0.029 0.000 0.296 351 H C 2.255 177.685 175.328 0.170 0.000 1.079 351 H CA 0.732 56.848 56.048 0.113 0.000 1.322 351 H CB 0.041 29.955 29.762 0.254 0.000 1.388 351 H HN 0.344 nan 8.280 nan 0.000 0.538 352 M N 0.079 119.852 119.600 0.289 0.000 2.563 352 M HA 0.001 4.464 4.480 -0.029 0.000 0.231 352 M C 0.828 177.255 176.300 0.211 0.000 1.136 352 M CA 0.872 56.316 55.300 0.239 0.000 1.026 352 M CB 0.311 33.019 32.600 0.180 0.000 1.597 352 M HN 0.287 nan 8.290 nan 0.000 0.495 353 E N 0.265 120.580 120.200 0.191 0.000 2.473 353 E HA 0.109 4.442 4.350 -0.029 0.000 0.204 353 E C -0.077 176.625 176.600 0.170 0.000 0.994 353 E CA -0.139 56.375 56.400 0.191 0.000 0.945 353 E CB 0.960 30.762 29.700 0.171 0.000 0.990 353 E HN 0.145 nan 8.360 nan 0.000 0.493 354 V N 4.882 124.893 119.914 0.162 0.000 2.470 354 V HA 0.093 4.196 4.120 -0.029 0.000 0.276 354 V C -1.898 174.295 176.094 0.165 0.000 1.040 354 V CA -1.171 61.219 62.300 0.150 0.000 1.008 354 V CB 0.387 32.300 31.823 0.151 0.000 0.990 354 V HN 0.106 nan 8.190 nan 0.000 0.477 355 P HA 0.150 nan 4.420 nan 0.000 0.276 355 P C 0.757 178.136 177.300 0.132 0.000 1.244 355 P CA -0.312 62.873 63.100 0.141 0.000 0.801 355 P CB 1.184 32.955 31.700 0.118 0.000 1.006 356 S N 0.025 115.804 115.700 0.132 0.000 2.453 356 S HA -0.007 4.445 4.470 -0.029 0.000 0.231 356 S C 0.984 175.628 174.600 0.073 0.000 1.005 356 S CA 1.054 59.321 58.200 0.112 0.000 0.949 356 S CB -1.047 62.221 63.200 0.114 0.000 0.774 356 S HN 0.785 nan 8.310 nan 0.000 0.510 357 T N -1.520 113.069 114.554 0.059 0.000 2.887 357 T HA 0.740 5.073 4.350 -0.029 0.000 0.292 357 T C -1.044 173.665 174.700 0.015 0.000 1.087 357 T CA -0.819 61.295 62.100 0.024 0.000 1.009 357 T CB 1.861 70.745 68.868 0.027 0.000 1.203 357 T HN 0.071 nan 8.240 nan 0.000 0.518 358 V N 1.271 121.177 119.914 -0.013 0.000 2.577 358 V HA 0.698 4.800 4.120 -0.029 0.000 0.303 358 V C -0.051 176.032 176.094 -0.019 0.000 1.042 358 V CA -0.787 61.503 62.300 -0.018 0.000 0.872 358 V CB 1.690 33.483 31.823 -0.049 0.000 0.998 358 V HN 1.094 nan 8.190 nan 0.000 0.423 359 S N 3.513 119.210 115.700 -0.005 0.000 2.549 359 S HA 0.799 5.251 4.470 -0.029 0.000 0.297 359 S C -0.462 174.122 174.600 -0.026 0.000 1.115 359 S CA -0.694 57.507 58.200 0.001 0.000 1.059 359 S CB 1.200 64.415 63.200 0.026 0.000 1.046 359 S HN 0.711 nan 8.310 nan 0.000 0.506 360 R N 2.059 122.552 120.500 -0.012 0.000 2.562 360 R HA 0.698 5.021 4.340 -0.029 0.000 0.298 360 R C -1.123 175.167 176.300 -0.015 0.000 0.961 360 R CA -0.373 55.683 56.100 -0.073 0.000 0.881 360 R CB 1.286 31.534 30.300 -0.087 0.000 1.159 360 R HN 0.489 nan 8.270 nan 0.000 0.450 361 L N 1.778 122.918 121.223 -0.137 0.000 2.370 361 L HA 0.535 4.858 4.340 -0.029 0.000 0.266 361 L C -0.397 176.381 176.870 -0.154 0.000 1.002 361 L CA -1.246 53.527 54.840 -0.111 0.000 0.818 361 L CB 1.928 43.850 42.059 -0.229 0.000 1.325 361 L HN 0.681 nan 8.230 nan 0.000 0.418 362 D N -0.030 120.386 120.400 0.026 0.000 2.466 362 D HA 0.102 4.725 4.640 -0.029 0.000 0.262 362 D C 0.761 176.987 176.300 -0.123 0.000 1.177 362 D CA -0.515 53.555 54.000 0.116 0.000 1.035 362 D CB 0.611 41.583 40.800 0.287 0.000 1.105 362 D HN 0.543 nan 8.370 nan 0.000 0.551 363 E N 0.143 120.314 120.200 -0.049 0.000 2.169 363 E HA -0.285 4.048 4.350 -0.029 0.000 0.202 363 E C 0.903 177.440 176.600 -0.105 0.000 1.016 363 E CA 1.643 57.995 56.400 -0.081 0.000 0.817 363 E CB -0.718 28.988 29.700 0.008 0.000 0.736 363 E HN 0.584 nan 8.360 nan 0.000 0.462 364 N N -0.588 118.069 118.700 -0.073 0.000 2.383 364 N HA 0.045 4.767 4.740 -0.029 0.000 0.192 364 N C -0.570 174.800 175.510 -0.234 0.000 1.141 364 N CA -0.070 52.946 53.050 -0.057 0.000 0.851 364 N CB 0.036 38.548 38.487 0.041 0.000 0.976 364 N HN 0.148 nan 8.380 nan 0.000 0.465 365 Y N -0.405 119.624 120.300 -0.451 0.000 4.490 365 Y HA -0.284 4.250 4.550 -0.026 0.000 0.233 365 Y C -0.034 175.720 175.900 -0.243 0.000 1.101 365 Y CA 0.319 58.128 58.100 -0.485 0.000 2.010 365 Y CB -1.771 36.079 38.460 -1.016 0.000 1.622 365 Y HN 0.257 nan 8.280 nan 0.000 0.675 366 Q N -0.017 119.758 119.800 -0.043 0.000 2.193 366 Q HA 0.442 4.764 4.340 -0.029 0.000 0.246 366 Q C -2.267 173.755 176.000 0.036 0.000 0.959 366 Q CA -2.112 53.700 55.803 0.015 0.000 0.904 366 Q CB 0.584 29.337 28.738 0.025 0.000 1.238 366 Q HN -0.046 nan 8.270 nan 0.000 0.469 367 P HA -0.110 nan 4.420 nan 0.000 0.262 367 P C -0.904 176.471 177.300 0.125 0.000 1.182 367 P CA 0.408 63.556 63.100 0.080 0.000 0.761 367 P CB 0.196 31.928 31.700 0.054 0.000 0.795 368 W N 5.939 127.209 121.300 -0.049 0.000 2.226 368 W HA 0.481 5.123 4.660 -0.028 0.000 0.379 368 W C 0.517 177.018 176.519 -0.029 0.000 0.923 368 W CA 1.034 58.351 57.345 -0.047 0.000 1.524 368 W CB -0.256 29.167 29.460 -0.062 0.000 1.552 368 W HN 0.773 nan 8.180 nan 0.000 0.337 369 G N 4.988 113.665 108.800 -0.205 0.000 2.566 369 G HA2 -0.229 3.714 3.960 -0.029 0.000 0.599 369 G HA3 -0.229 3.714 3.960 -0.029 0.000 0.599 369 G C -1.535 173.310 174.900 -0.091 0.000 1.292 369 G CA -0.400 44.548 45.100 -0.254 0.000 0.922 369 G HN 0.280 nan 8.290 nan 0.000 0.514 370 P HA 0.134 nan 4.420 nan 0.000 0.227 370 P C 0.458 177.756 177.300 -0.004 0.000 1.161 370 P CA 1.248 64.327 63.100 -0.036 0.000 0.788 370 P CB 0.255 31.930 31.700 -0.042 0.000 0.822 371 E N -0.429 119.778 120.200 0.012 0.000 3.846 371 E HA 0.403 4.735 4.350 -0.029 0.000 0.216 371 E C 0.869 177.508 176.600 0.064 0.000 1.092 371 E CA -0.322 56.098 56.400 0.033 0.000 1.370 371 E CB 0.707 30.428 29.700 0.035 0.000 1.227 371 E HN 0.046 nan 8.360 nan 0.000 0.442 372 A N 1.305 124.173 122.820 0.080 0.000 1.930 372 A HA -0.145 4.158 4.320 -0.029 0.000 0.217 372 A C 1.220 178.844 177.584 0.066 0.000 1.175 372 A CA 0.953 53.063 52.037 0.122 0.000 0.627 372 A CB -0.019 19.061 19.000 0.134 0.000 0.815 372 A HN 0.360 nan 8.150 nan 0.000 0.443 373 E N 0.043 120.268 120.200 0.041 0.000 2.174 373 E HA 0.546 4.879 4.350 -0.029 0.000 0.282 373 E C -1.231 175.369 176.600 0.000 0.000 0.992 373 E CA -0.410 56.002 56.400 0.020 0.000 0.803 373 E CB 0.465 30.181 29.700 0.027 0.000 1.090 373 E HN 0.390 nan 8.360 nan 0.000 0.396 374 L N 5.245 126.452 121.223 -0.026 0.000 2.370 374 L HA 0.510 4.833 4.340 -0.029 0.000 0.266 374 L C -2.326 174.494 176.870 -0.083 0.000 1.002 374 L CA -2.764 52.039 54.840 -0.062 0.000 0.818 374 L CB 2.056 44.057 42.059 -0.096 0.000 1.325 374 L HN 0.508 nan 8.230 nan 0.000 0.418 375 P HA 0.008 nan 4.420 nan 0.000 0.267 375 P C 0.807 177.984 177.300 -0.204 0.000 1.205 375 P CA -0.185 62.855 63.100 -0.100 0.000 0.765 375 P CB 0.755 32.403 31.700 -0.086 0.000 0.828 376 L N 4.582 125.733 121.223 -0.121 0.000 2.043 376 L HA -0.236 4.087 4.340 -0.029 0.000 0.212 376 L C 2.168 178.683 176.870 -0.591 0.000 1.075 376 L CA 2.175 56.884 54.840 -0.218 0.000 0.752 376 L CB -0.821 41.217 42.059 -0.034 0.000 0.891 376 L HN 0.655 nan 8.230 nan 0.000 0.432 377 H N -1.159 117.625 119.070 -0.478 0.000 2.489 377 H HA -0.125 4.413 4.556 -0.029 0.000 0.293 377 H C 1.749 176.808 175.328 -0.447 0.000 1.066 377 H CA 1.601 57.242 56.048 -0.678 0.000 1.305 377 H CB -0.747 29.044 29.762 0.048 0.000 1.386 377 H HN 0.478 nan 8.280 nan 0.000 0.551 378 T N -1.067 113.009 114.554 -0.796 0.000 3.118 378 T HA 0.118 4.451 4.350 -0.029 0.000 0.260 378 T C 1.897 176.429 174.700 -0.281 0.000 1.139 378 T CA 0.126 61.953 62.100 -0.455 0.000 1.085 378 T CB -0.331 68.285 68.868 -0.419 0.000 0.934 378 T HN 0.330 nan 8.240 nan 0.000 0.518 379 L N -0.330 120.644 121.223 -0.414 0.000 2.585 379 L HA 0.387 4.710 4.340 -0.029 0.000 0.226 379 L C -0.119 176.670 176.870 -0.135 0.000 1.113 379 L CA -0.438 54.235 54.840 -0.279 0.000 0.876 379 L CB -0.167 41.735 42.059 -0.261 0.000 1.072 379 L HN 0.192 nan 8.230 nan 0.000 0.468 380 F N 0.249 120.216 119.950 0.028 0.000 2.538 380 F HA 0.120 4.630 4.527 -0.029 0.000 0.371 380 F C 0.818 176.625 175.800 0.010 0.000 1.087 380 F CA -0.762 57.224 58.000 -0.023 0.000 1.250 380 F CB -0.509 38.589 39.000 0.164 0.000 1.110 380 F HN -0.054 nan 8.300 nan 0.000 0.570 381 F N 0.059 120.104 119.950 0.159 0.000 3.100 381 F HA -0.325 4.186 4.527 -0.028 0.000 0.284 381 F C 0.678 176.467 175.800 -0.017 0.000 0.875 381 F CA 0.326 58.352 58.000 0.042 0.000 1.039 381 F CB -1.534 37.465 39.000 -0.000 0.000 1.111 381 F HN 0.505 nan 8.300 nan 0.000 0.575 382 N N 0.840 119.574 118.700 0.056 0.000 2.558 382 N HA 0.194 4.917 4.740 -0.029 0.000 0.233 382 N C 1.057 176.497 175.510 -0.118 0.000 1.038 382 N CA 0.774 53.798 53.050 -0.044 0.000 0.934 382 N CB 0.886 39.269 38.487 -0.174 0.000 1.175 382 N HN 0.313 nan 8.380 nan 0.000 0.512 383 T N -0.190 114.305 114.554 -0.098 0.000 3.040 383 T HA -0.006 4.327 4.350 -0.029 0.000 0.252 383 T C 1.846 176.482 174.700 -0.105 0.000 1.064 383 T CA -0.280 61.702 62.100 -0.197 0.000 1.110 383 T CB -0.347 68.201 68.868 -0.534 0.000 0.921 383 T HN 0.641 nan 8.240 nan 0.000 0.480 384 W N 2.267 123.514 121.300 -0.089 0.000 2.421 384 W HA 0.052 4.696 4.660 -0.027 0.000 0.270 384 W C 1.501 178.011 176.519 -0.015 0.000 1.233 384 W CA -0.001 57.313 57.345 -0.052 0.000 1.226 384 W CB -0.667 28.760 29.460 -0.055 0.000 1.121 384 W HN 0.079 nan 8.180 nan 0.000 0.579 385 R N 1.068 121.047 120.500 -0.869 0.000 2.115 385 R HA -0.035 4.288 4.340 -0.029 0.000 0.226 385 R C 2.139 178.246 176.300 -0.322 0.000 1.100 385 R CA 1.303 56.877 56.100 -0.876 0.000 0.980 385 R CB -0.636 29.146 30.300 -0.863 0.000 0.875 385 R HN 0.398 nan 8.270 nan 0.000 0.445 386 I N -0.062 120.394 120.570 -0.190 0.000 2.277 386 I HA -0.168 3.985 4.170 -0.029 0.000 0.243 386 I C 2.223 178.340 176.117 0.001 0.000 1.094 386 I CA 0.931 62.188 61.300 -0.072 0.000 1.393 386 I CB -0.131 37.867 38.000 -0.003 0.000 1.078 386 I HN 0.008 nan 8.210 nan 0.000 0.417 387 I N 0.671 121.232 120.570 -0.014 0.000 2.233 387 I HA -0.190 3.962 4.170 -0.029 0.000 0.243 387 I C 1.548 177.772 176.117 0.179 0.000 1.093 387 I CA 1.364 62.697 61.300 0.055 0.000 1.380 387 I CB -0.173 37.851 38.000 0.040 0.000 1.067 387 I HN 0.124 nan 8.210 nan 0.000 0.413 388 K N 0.240 120.768 120.400 0.213 0.000 2.493 388 K HA 0.094 4.397 4.320 -0.029 0.000 0.207 388 K C -0.487 176.269 176.600 0.261 0.000 1.033 388 K CA 0.180 56.620 56.287 0.254 0.000 1.161 388 K CB 0.284 32.967 32.500 0.304 0.000 0.873 388 K HN 0.056 nan 8.250 nan 0.000 0.491 389 D N -0.406 120.115 120.400 0.202 0.000 3.404 389 D HA 0.149 4.772 4.640 -0.029 0.000 0.329 389 D C 0.408 176.834 176.300 0.211 0.000 1.421 389 D CA 0.417 54.564 54.000 0.246 0.000 0.742 389 D CB 0.343 41.251 40.800 0.180 0.000 1.290 389 D HN 0.243 nan 8.370 nan 0.000 0.600 390 G N -0.415 108.486 108.800 0.169 0.000 2.255 390 G HA2 0.255 4.198 3.960 -0.029 0.000 0.196 390 G HA3 0.255 4.198 3.960 -0.029 0.000 0.196 390 G C 0.994 175.790 174.900 -0.172 0.000 0.998 390 G CA 0.370 45.432 45.100 -0.063 0.000 0.656 390 G HN 1.295 nan 8.290 nan 0.000 0.490 391 G N -0.263 108.505 108.800 -0.053 0.000 2.693 391 G HA2 0.094 4.037 3.960 -0.029 0.000 0.226 391 G HA3 0.094 4.037 3.960 -0.029 0.000 0.226 391 G C 0.755 175.603 174.900 -0.088 0.000 1.354 391 G CA 0.659 45.739 45.100 -0.035 0.000 0.873 391 G HN 1.826 nan 8.290 nan 0.000 0.562 392 I N -2.736 117.780 120.570 -0.090 0.000 3.793 392 I HA 0.385 4.538 4.170 -0.029 0.000 0.315 392 I C 1.300 177.318 176.117 -0.165 0.000 1.275 392 I CA 1.199 62.435 61.300 -0.107 0.000 1.214 392 I CB 0.304 38.264 38.000 -0.067 0.000 1.018 392 I HN 0.308 nan 8.210 nan 0.000 0.439 393 D N 2.745 123.022 120.400 -0.205 0.000 2.077 393 D HA -0.047 4.575 4.640 -0.029 0.000 0.196 393 D C -0.290 175.844 176.300 -0.277 0.000 0.986 393 D CA 1.696 55.577 54.000 -0.199 0.000 0.829 393 D CB -1.542 39.172 40.800 -0.143 0.000 0.983 393 D HN 0.269 nan 8.370 nan 0.000 0.453 394 P HA -0.086 nan 4.420 nan 0.000 0.218 394 P C 1.482 178.573 177.300 -0.349 0.000 1.146 394 P CA 0.844 63.621 63.100 -0.538 0.000 0.813 394 P CB 0.056 31.131 31.700 -1.042 0.000 0.778 395 L N -1.999 119.057 121.223 -0.278 0.000 2.179 395 L HA -0.060 4.263 4.340 -0.029 0.000 0.208 395 L C 2.133 178.945 176.870 -0.097 0.000 1.096 395 L CA 1.318 56.057 54.840 -0.170 0.000 0.779 395 L CB -0.957 41.013 42.059 -0.148 0.000 0.922 395 L HN -0.004 nan 8.230 nan 0.000 0.443 396 T N -0.781 113.719 114.554 -0.091 0.000 2.942 396 T HA -0.076 4.257 4.350 -0.029 0.000 0.265 396 T C 1.962 176.674 174.700 0.021 0.000 1.062 396 T CA 0.792 62.885 62.100 -0.013 0.000 1.139 396 T CB -0.008 68.856 68.868 -0.007 0.000 0.883 396 T HN 0.262 nan 8.240 nan 0.000 0.468 397 R N 0.514 120.972 120.500 -0.070 0.000 2.148 397 R HA 0.014 4.337 4.340 -0.029 0.000 0.227 397 R C 2.749 179.093 176.300 0.074 0.000 1.103 397 R CA 1.108 57.167 56.100 -0.067 0.000 0.983 397 R CB -0.463 29.491 30.300 -0.577 0.000 0.874 397 R HN 0.374 nan 8.270 nan 0.000 0.451 398 G N 1.168 109.966 108.800 -0.003 0.000 2.403 398 G HA2 -0.181 3.761 3.960 -0.029 0.000 0.216 398 G HA3 -0.181 3.761 3.960 -0.029 0.000 0.216 398 G C 1.464 176.415 174.900 0.085 0.000 1.154 398 G CA 0.100 45.225 45.100 0.040 0.000 0.784 398 G HN 0.101 nan 8.290 nan 0.000 0.538 399 L N -0.154 121.110 121.223 0.068 0.000 2.043 399 L HA -0.091 4.232 4.340 -0.029 0.000 0.212 399 L C 2.848 179.775 176.870 0.095 0.000 1.075 399 L CA 1.000 55.878 54.840 0.064 0.000 0.752 399 L CB -0.278 41.812 42.059 0.051 0.000 0.891 399 L HN 0.247 nan 8.230 nan 0.000 0.432 400 L N -1.390 119.940 121.223 0.179 0.000 2.162 400 L HA -0.010 4.313 4.340 -0.029 0.000 0.205 400 L C 2.650 179.715 176.870 0.326 0.000 1.086 400 L CA 0.774 55.760 54.840 0.242 0.000 0.778 400 L CB -0.556 41.727 42.059 0.373 0.000 0.928 400 L HN 0.137 nan 8.230 nan 0.000 0.446 401 A N -0.779 122.260 122.820 0.364 0.000 2.021 401 A HA 0.044 4.346 4.320 -0.029 0.000 0.216 401 A C 1.046 178.751 177.584 0.201 0.000 1.163 401 A CA 0.681 52.907 52.037 0.316 0.000 0.676 401 A CB 0.036 19.226 19.000 0.316 0.000 0.818 401 A HN 0.046 nan 8.150 nan 0.000 0.453 402 K N 0.834 121.330 120.400 0.159 0.000 2.095 402 K HA 0.492 4.795 4.320 -0.029 0.000 0.252 402 K C -0.569 176.101 176.600 0.117 0.000 0.977 402 K CA -0.319 56.041 56.287 0.122 0.000 0.900 402 K CB 0.988 33.547 32.500 0.098 0.000 1.060 402 K HN 0.234 nan 8.250 nan 0.000 0.449 403 K N 0.415 120.879 120.400 0.108 0.000 2.106 403 K HA 0.347 4.650 4.320 -0.029 0.000 0.246 403 K C 0.230 176.908 176.600 0.130 0.000 0.987 403 K CA -0.572 55.783 56.287 0.112 0.000 0.904 403 K CB 1.138 33.694 32.500 0.094 0.000 1.071 403 K HN 0.368 nan 8.250 nan 0.000 0.453 404 S N 0.512 116.311 115.700 0.164 0.000 2.681 404 S HA 0.135 4.588 4.470 -0.029 0.000 0.270 404 S C -0.314 174.387 174.600 0.170 0.000 1.209 404 S CA -0.625 57.697 58.200 0.203 0.000 0.988 404 S CB 0.743 64.145 63.200 0.337 0.000 1.006 404 S HN 0.398 nan 8.310 nan 0.000 0.558 405 K N 1.163 121.669 120.400 0.176 0.000 2.174 405 K HA 0.356 4.659 4.320 -0.029 0.000 0.275 405 K C -0.983 175.711 176.600 0.157 0.000 1.015 405 K CA -0.537 55.841 56.287 0.151 0.000 0.933 405 K CB 0.518 33.115 32.500 0.163 0.000 1.025 405 K HN 0.391 nan 8.250 nan 0.000 0.463 406 L N 4.956 126.244 121.223 0.108 0.000 2.292 406 L HA 0.235 4.558 4.340 -0.029 0.000 0.284 406 L C 0.013 176.928 176.870 0.075 0.000 1.065 406 L CA -0.223 54.674 54.840 0.095 0.000 0.806 406 L CB 1.155 43.243 42.059 0.049 0.000 1.175 406 L HN 0.738 nan 8.230 nan 0.000 0.431 407 M N 4.935 124.596 119.600 0.103 0.000 2.249 407 M HA 0.078 4.541 4.480 -0.029 0.000 0.340 407 M C -0.672 175.638 176.300 0.017 0.000 1.166 407 M CA 0.772 56.117 55.300 0.075 0.000 1.115 407 M CB -0.034 32.627 32.600 0.100 0.000 1.606 407 M HN 0.712 nan 8.290 nan 0.000 0.448 408 N N 2.854 121.541 118.700 -0.022 0.000 2.336 408 N HA 0.196 4.918 4.740 -0.029 0.000 0.290 408 N C -0.101 175.376 175.510 -0.055 0.000 1.058 408 N CA -0.275 52.743 53.050 -0.054 0.000 0.865 408 N CB 1.529 39.949 38.487 -0.112 0.000 1.581 408 N HN 0.631 nan 8.380 nan 0.000 0.480 409 Q N 0.278 120.053 119.800 -0.041 0.000 2.297 409 Q HA -0.070 4.252 4.340 -0.029 0.000 0.208 409 Q C -0.146 175.836 176.000 -0.030 0.000 0.981 409 Q CA 1.285 57.068 55.803 -0.035 0.000 0.876 409 Q CB 0.304 29.025 28.738 -0.028 0.000 0.921 409 Q HN 0.544 nan 8.270 nan 0.000 0.446 410 D N -0.535 119.835 120.400 -0.049 0.000 2.398 410 D HA 0.077 4.700 4.640 -0.029 0.000 0.210 410 D C -0.083 176.163 176.300 -0.091 0.000 1.094 410 D CA 0.320 54.297 54.000 -0.038 0.000 0.839 410 D CB 0.575 41.354 40.800 -0.035 0.000 0.963 410 D HN 0.061 nan 8.370 nan 0.000 0.506 411 K N 0.705 120.983 120.400 -0.204 0.000 3.157 411 K HA 0.319 4.622 4.320 -0.029 0.000 0.173 411 K C 0.777 177.217 176.600 -0.266 0.000 1.127 411 K CA -0.062 55.867 56.287 -0.597 0.000 0.849 411 K CB 1.230 33.069 32.500 -1.102 0.000 1.038 411 K HN -0.153 nan 8.250 nan 0.000 0.603 412 M N -0.038 119.611 119.600 0.082 0.000 2.091 412 M HA -0.036 4.427 4.480 -0.029 0.000 0.259 412 M C 0.645 177.123 176.300 0.296 0.000 1.076 412 M CA 1.378 56.770 55.300 0.153 0.000 1.111 412 M CB 0.158 32.831 32.600 0.121 0.000 1.291 412 M HN -0.006 nan 8.290 nan 0.000 0.417 413 V N 0.179 120.336 119.914 0.405 0.000 2.531 413 V HA 0.175 4.277 4.120 -0.029 0.000 0.301 413 V C 0.007 176.276 176.094 0.293 0.000 1.034 413 V CA -0.903 61.615 62.300 0.363 0.000 0.865 413 V CB 1.556 33.570 31.823 0.319 0.000 0.995 413 V HN 0.346 nan 8.190 nan 0.000 0.424 414 T N 2.929 117.638 114.554 0.258 0.000 2.946 414 T HA -0.019 4.314 4.350 -0.029 0.000 0.312 414 T C 1.516 176.206 174.700 -0.016 0.000 1.066 414 T CA 0.814 62.950 62.100 0.060 0.000 1.138 414 T CB 0.748 69.710 68.868 0.156 0.000 1.014 414 T HN 0.802 nan 8.240 nan 0.000 0.544 415 S N 3.099 118.709 115.700 -0.149 0.000 2.402 415 S HA -0.117 4.336 4.470 -0.029 0.000 0.233 415 S C 1.953 176.574 174.600 0.034 0.000 1.030 415 S CA 1.148 59.300 58.200 -0.079 0.000 1.003 415 S CB -0.283 62.846 63.200 -0.117 0.000 0.813 415 S HN 0.758 nan 8.310 nan 0.000 0.477 416 E N 0.724 120.976 120.200 0.086 0.000 2.171 416 E HA -0.113 4.220 4.350 -0.029 0.000 0.197 416 E C 1.775 178.565 176.600 0.318 0.000 0.997 416 E CA 0.897 57.419 56.400 0.203 0.000 0.810 416 E CB -0.226 29.600 29.700 0.211 0.000 0.738 416 E HN 0.490 nan 8.360 nan 0.000 0.467 417 L N -0.630 120.731 121.223 0.230 0.000 2.515 417 L HA 0.114 4.437 4.340 -0.029 0.000 0.223 417 L C 2.418 179.358 176.870 0.116 0.000 1.079 417 L CA -0.008 54.946 54.840 0.190 0.000 0.857 417 L CB 0.149 42.287 42.059 0.131 0.000 1.050 417 L HN -0.077 nan 8.230 nan 0.000 0.476 418 R N 0.196 120.757 120.500 0.101 0.000 2.127 418 R HA 0.046 4.368 4.340 -0.029 0.000 0.217 418 R C 0.911 177.250 176.300 0.065 0.000 1.074 418 R CA 0.868 57.016 56.100 0.079 0.000 0.991 418 R CB 0.236 30.569 30.300 0.056 0.000 0.895 418 R HN 0.392 nan 8.270 nan 0.000 0.450 419 N N -0.655 118.078 118.700 0.055 0.000 2.168 419 N HA 0.058 4.780 4.740 -0.029 0.000 0.216 419 N C 0.026 175.571 175.510 0.059 0.000 1.259 419 N CA 0.152 53.218 53.050 0.027 0.000 0.902 419 N CB 0.942 39.410 38.487 -0.032 0.000 1.079 419 N HN 0.028 nan 8.380 nan 0.000 0.507 420 K N 0.991 121.465 120.400 0.125 0.000 2.758 420 K HA 0.234 4.537 4.320 -0.029 0.000 0.208 420 K C -0.336 176.547 176.600 0.471 0.000 1.091 420 K CA -0.405 56.003 56.287 0.202 0.000 1.059 420 K CB 0.939 33.411 32.500 -0.046 0.000 0.801 420 K HN -0.056 nan 8.250 nan 0.000 0.470 421 L N 1.118 122.554 121.223 0.355 0.000 2.397 421 L HA 0.277 4.600 4.340 -0.029 0.000 0.271 421 L C -0.526 176.530 176.870 0.310 0.000 1.148 421 L CA -0.138 54.845 54.840 0.238 0.000 0.825 421 L CB 0.212 42.282 42.059 0.018 0.000 1.117 421 L HN 0.085 nan 8.230 nan 0.000 0.456 422 F N 4.613 124.609 119.950 0.076 0.000 2.404 422 F HA 0.411 4.920 4.527 -0.029 0.000 0.354 422 F C -0.216 175.635 175.800 0.084 0.000 1.122 422 F CA -0.397 57.661 58.000 0.096 0.000 1.080 422 F CB 0.754 39.790 39.000 0.059 0.000 1.131 422 F HN 0.443 nan 8.300 nan 0.000 0.471 423 Q N 8.508 128.007 119.800 -0.502 0.000 2.314 423 Q HA 0.216 4.539 4.340 -0.029 0.000 0.259 423 Q C -1.747 173.887 176.000 -0.610 0.000 0.951 423 Q CA -1.912 53.619 55.803 -0.452 0.000 0.909 423 Q CB 1.796 30.075 28.738 -0.765 0.000 1.236 423 Q HN 0.487 nan 8.270 nan 0.000 0.444 424 P HA -0.207 nan 4.420 nan 0.000 0.221 424 P C 0.672 177.742 177.300 -0.384 0.000 1.141 424 P CA 1.462 64.238 63.100 -0.540 0.000 0.794 424 P CB 0.390 31.838 31.700 -0.421 0.000 0.764 425 T N -1.862 112.514 114.554 -0.296 0.000 2.901 425 T HA 0.008 4.341 4.350 -0.029 0.000 0.252 425 T C 1.166 175.588 174.700 -0.464 0.000 1.035 425 T CA 0.731 62.647 62.100 -0.308 0.000 1.142 425 T CB -0.466 68.291 68.868 -0.185 0.000 0.869 425 T HN 0.310 nan 8.240 nan 0.000 0.442 426 H N 0.674 119.552 119.070 -0.320 0.000 2.530 426 H HA 0.396 4.935 4.556 -0.029 0.000 0.342 426 H C 0.659 175.719 175.328 -0.447 0.000 1.312 426 H CA -0.581 55.319 56.048 -0.246 0.000 1.376 426 H CB 1.323 31.086 29.762 0.002 0.000 1.692 426 H HN 0.066 nan 8.280 nan 0.000 0.622 427 K N 0.578 120.870 120.400 -0.181 0.000 2.400 427 K HA 0.148 4.451 4.320 -0.029 0.000 0.194 427 K C 0.859 177.590 176.600 0.218 0.000 1.033 427 K CA 0.356 56.534 56.287 -0.182 0.000 1.021 427 K CB 0.303 32.817 32.500 0.024 0.000 0.808 427 K HN 0.414 nan 8.250 nan 0.000 0.505 428 I N -2.266 118.378 120.570 0.125 0.000 2.822 428 I HA 0.298 4.451 4.170 -0.029 0.000 0.312 428 I C -0.592 175.708 176.117 0.305 0.000 1.011 428 I CA -0.999 60.469 61.300 0.280 0.000 1.105 428 I CB 1.168 39.253 38.000 0.141 0.000 1.291 428 I HN -0.116 nan 8.210 nan 0.000 0.474 429 H N 2.372 121.668 119.070 0.376 0.000 2.508 429 H HA 0.527 5.065 4.556 -0.029 0.000 0.224 429 H C 0.415 175.865 175.328 0.203 0.000 1.723 429 H CA -0.252 56.054 56.048 0.431 0.000 1.251 429 H CB 0.553 30.591 29.762 0.459 0.000 1.627 429 H HN 0.870 nan 8.280 nan 0.000 0.543 430 G N 1.099 110.003 108.800 0.173 0.000 5.302 430 G HA2 0.140 4.083 3.960 -0.029 0.000 0.223 430 G HA3 0.140 4.083 3.960 -0.029 0.000 0.223 430 G C -0.681 174.136 174.900 -0.137 0.000 0.832 430 G CA -0.202 44.903 45.100 0.007 0.000 0.714 430 G HN 0.230 nan 8.290 nan 0.000 0.444 431 F N 0.316 120.296 119.950 0.049 0.000 2.457 431 F HA 0.584 5.094 4.527 -0.029 0.000 0.330 431 F C -0.169 175.646 175.800 0.026 0.000 1.069 431 F CA -0.783 57.225 58.000 0.014 0.000 1.009 431 F CB 2.117 41.083 39.000 -0.057 0.000 1.276 431 F HN -0.025 nan 8.300 nan 0.000 0.492 432 D N 2.166 122.726 120.400 0.266 0.000 2.454 432 D HA 0.133 4.756 4.640 -0.029 0.000 0.247 432 D C 0.607 176.961 176.300 0.090 0.000 1.129 432 D CA -0.329 53.759 54.000 0.146 0.000 0.877 432 D CB 1.340 42.217 40.800 0.129 0.000 1.082 432 D HN 0.433 nan 8.370 nan 0.000 0.537 433 L N 4.666 125.902 121.223 0.022 0.000 2.081 433 L HA -0.103 4.220 4.340 -0.029 0.000 0.212 433 L C 1.991 178.793 176.870 -0.114 0.000 1.080 433 L CA 2.430 57.214 54.840 -0.094 0.000 0.754 433 L CB -0.402 41.536 42.059 -0.203 0.000 0.893 433 L HN 0.503 nan 8.230 nan 0.000 0.433 434 A N -0.803 122.008 122.820 -0.015 0.000 1.873 434 A HA -0.032 4.270 4.320 -0.029 0.000 0.215 434 A C 2.443 179.993 177.584 -0.058 0.000 1.186 434 A CA 1.592 53.624 52.037 -0.008 0.000 0.616 434 A CB -1.098 18.062 19.000 0.268 0.000 0.823 434 A HN 0.538 nan 8.150 nan 0.000 0.442 435 A N -0.077 122.752 122.820 0.014 0.000 1.902 435 A HA -0.055 4.247 4.320 -0.029 0.000 0.217 435 A C 2.120 179.659 177.584 -0.075 0.000 1.181 435 A CA 1.441 53.472 52.037 -0.010 0.000 0.623 435 A CB -0.596 18.418 19.000 0.023 0.000 0.818 435 A HN 0.489 nan 8.150 nan 0.000 0.443 436 I N -0.058 120.501 120.570 -0.019 0.000 2.163 436 I HA -0.330 3.823 4.170 -0.029 0.000 0.243 436 I C 2.337 178.481 176.117 0.045 0.000 1.085 436 I CA 1.795 63.145 61.300 0.083 0.000 1.347 436 I CB -0.624 37.437 38.000 0.103 0.000 1.044 436 I HN 0.469 nan 8.210 nan 0.000 0.408 437 N N 0.686 119.288 118.700 -0.163 0.000 2.036 437 N HA -0.208 4.515 4.740 -0.029 0.000 0.195 437 N C 1.964 177.382 175.510 -0.153 0.000 1.037 437 N CA 1.160 54.024 53.050 -0.311 0.000 0.855 437 N CB -0.149 37.640 38.487 -1.164 0.000 1.033 437 N HN 0.234 nan 8.380 nan 0.000 0.423 438 L N 0.582 121.714 121.223 -0.152 0.000 2.017 438 L HA -0.217 4.105 4.340 -0.029 0.000 0.208 438 L C 2.574 179.415 176.870 -0.050 0.000 1.073 438 L CA 1.165 56.005 54.840 -0.000 0.000 0.745 438 L CB -0.332 41.774 42.059 0.079 0.000 0.894 438 L HN 0.207 nan 8.230 nan 0.000 0.432 439 Q N -0.159 119.522 119.800 -0.198 0.000 2.226 439 Q HA -0.220 4.103 4.340 -0.029 0.000 0.204 439 Q C 2.134 178.044 176.000 -0.150 0.000 0.975 439 Q CA 1.320 56.849 55.803 -0.458 0.000 0.866 439 Q CB -0.022 27.983 28.738 -1.222 0.000 0.915 439 Q HN 0.099 nan 8.270 nan 0.000 0.440 440 R N -1.270 119.335 120.500 0.175 0.000 2.153 440 R HA 0.042 4.365 4.340 -0.029 0.000 0.218 440 R C 1.986 178.522 176.300 0.393 0.000 1.072 440 R CA 1.059 57.518 56.100 0.597 0.000 0.990 440 R CB -0.904 29.817 30.300 0.702 0.000 0.889 440 R HN 0.360 nan 8.270 nan 0.000 0.452 441 C N -0.117 119.103 119.300 -0.134 0.000 2.429 441 C HA -0.020 4.423 4.460 -0.029 0.000 0.277 441 C C 2.467 177.405 174.990 -0.088 0.000 1.262 441 C CA 0.921 59.553 59.018 -0.643 0.000 1.733 441 C CB -0.697 26.775 27.740 -0.447 0.000 2.010 441 C HN 0.499 nan 8.230 nan 0.000 0.483 442 R N 0.421 120.990 120.500 0.115 0.000 2.081 442 R HA -0.132 4.191 4.340 -0.029 0.000 0.235 442 R C 1.947 178.456 176.300 0.349 0.000 1.131 442 R CA 1.754 58.016 56.100 0.270 0.000 0.960 442 R CB -0.472 30.048 30.300 0.367 0.000 0.856 442 R HN 0.501 nan 8.270 nan 0.000 0.436 443 D N 0.200 120.869 120.400 0.449 0.000 2.104 443 D HA -0.181 4.442 4.640 -0.029 0.000 0.194 443 D C 1.405 177.938 176.300 0.387 0.000 0.994 443 D CA 1.327 55.604 54.000 0.462 0.000 0.830 443 D CB -0.098 41.094 40.800 0.653 0.000 0.959 443 D HN 0.376 nan 8.370 nan 0.000 0.452 444 H N -1.035 118.216 119.070 0.303 0.000 2.556 444 H HA 0.167 4.707 4.556 -0.028 0.000 0.268 444 H C 1.083 176.420 175.328 0.015 0.000 0.996 444 H CA 0.634 56.833 56.048 0.252 0.000 1.157 444 H CB 0.183 30.170 29.762 0.374 0.000 1.355 444 H HN 0.302 nan 8.280 nan 0.000 0.597 445 G N 1.484 110.247 108.800 -0.063 0.000 2.221 445 G HA2 -0.273 3.670 3.960 -0.029 0.000 0.265 445 G HA3 -0.273 3.670 3.960 -0.029 0.000 0.265 445 G C 0.298 175.079 174.900 -0.198 0.000 1.041 445 G CA -0.062 44.696 45.100 -0.571 0.000 0.807 445 G HN 0.115 nan 8.290 nan 0.000 0.502 446 M N 0.036 119.619 119.600 -0.028 0.000 2.239 446 M HA 0.217 4.680 4.480 -0.029 0.000 0.348 446 M C -1.692 174.663 176.300 0.091 0.000 1.239 446 M CA -1.890 53.442 55.300 0.053 0.000 1.114 446 M CB -0.122 32.439 32.600 -0.065 0.000 1.641 446 M HN -0.010 nan 8.290 nan 0.000 0.453 447 P HA 0.204 nan 4.420 nan 0.000 0.274 447 P C 0.168 177.529 177.300 0.101 0.000 1.237 447 P CA -0.245 62.864 63.100 0.016 0.000 0.793 447 P CB 0.520 32.069 31.700 -0.252 0.000 0.977 448 G N 0.111 108.906 108.800 -0.008 0.000 2.684 448 G HA2 -0.074 3.869 3.960 -0.029 0.000 0.255 448 G HA3 -0.074 3.869 3.960 -0.029 0.000 0.255 448 G C 0.379 175.382 174.900 0.173 0.000 1.219 448 G CA -0.103 45.028 45.100 0.052 0.000 0.901 448 G HN 0.491 nan 8.290 nan 0.000 0.548 449 Y N 0.381 120.709 120.300 0.048 0.000 2.114 449 Y HA -0.237 4.295 4.550 -0.030 0.000 0.282 449 Y C 2.537 178.496 175.900 0.098 0.000 1.165 449 Y CA 2.510 60.667 58.100 0.096 0.000 1.148 449 Y CB 0.005 38.453 38.460 -0.020 0.000 0.972 449 Y HN 0.435 nan 8.280 nan 0.000 0.504 450 N N -0.439 118.247 118.700 -0.025 0.000 2.459 450 N HA -0.115 4.608 4.740 -0.029 0.000 0.181 450 N C 1.868 177.293 175.510 -0.141 0.000 1.046 450 N CA 1.132 54.097 53.050 -0.141 0.000 0.904 450 N CB -0.140 38.333 38.487 -0.022 0.000 0.964 450 N HN 0.338 nan 8.380 nan 0.000 0.444 451 S N -0.401 115.194 115.700 -0.175 0.000 2.387 451 S HA -0.043 4.409 4.470 -0.029 0.000 0.226 451 S C 1.535 175.931 174.600 -0.340 0.000 1.026 451 S CA 0.614 58.631 58.200 -0.306 0.000 0.972 451 S CB -0.132 62.775 63.200 -0.488 0.000 0.814 451 S HN 0.479 nan 8.310 nan 0.000 0.477 452 W N 1.890 123.169 121.300 -0.036 0.000 2.418 452 W HA 0.077 4.720 4.660 -0.028 0.000 0.292 452 W C 2.463 178.986 176.519 0.006 0.000 1.213 452 W CA -0.083 57.272 57.345 0.017 0.000 1.283 452 W CB -0.075 29.371 29.460 -0.024 0.000 1.119 452 W HN 0.063 nan 8.180 nan 0.000 0.542 453 R N 0.064 120.565 120.500 0.003 0.000 2.081 453 R HA -0.092 4.231 4.340 -0.029 0.000 0.235 453 R C 2.312 178.621 176.300 0.015 0.000 1.131 453 R CA 1.572 57.625 56.100 -0.078 0.000 0.960 453 R CB -1.571 28.561 30.300 -0.280 0.000 0.856 453 R HN 0.354 nan 8.270 nan 0.000 0.436 454 G N 0.146 108.946 108.800 -0.001 0.000 2.402 454 G HA2 -0.274 3.669 3.960 -0.029 0.000 0.216 454 G HA3 -0.274 3.669 3.960 -0.029 0.000 0.216 454 G C 1.355 176.294 174.900 0.064 0.000 1.162 454 G CA 0.215 45.320 45.100 0.009 0.000 0.777 454 G HN 0.281 nan 8.290 nan 0.000 0.539 455 F N 1.132 121.064 119.950 -0.030 0.000 2.161 455 F HA -0.103 4.406 4.527 -0.029 0.000 0.300 455 F C 2.111 177.961 175.800 0.084 0.000 1.089 455 F CA 1.071 59.088 58.000 0.028 0.000 1.282 455 F CB -0.114 38.962 39.000 0.126 0.000 1.010 455 F HN 0.156 nan 8.300 nan 0.000 0.485 456 c N 0.724 119.422 118.600 0.162 0.000 2.673 456 c HA 0.432 4.985 4.570 -0.029 0.000 0.274 456 c C 1.503 175.650 174.090 0.095 0.000 1.276 456 c CA 0.422 56.808 56.329 0.094 0.000 1.701 456 c CB -1.354 41.252 42.510 0.160 0.000 1.836 456 c HN 0.831 nan 8.230 nan 0.000 0.596 457 G N 1.501 110.323 108.800 0.036 0.000 2.298 457 G HA2 -0.226 3.717 3.960 -0.029 0.000 0.287 457 G HA3 -0.226 3.717 3.960 -0.029 0.000 0.287 457 G C -0.373 174.554 174.900 0.045 0.000 1.075 457 G CA 0.096 45.212 45.100 0.027 0.000 0.960 457 G HN 0.545 nan 8.290 nan 0.000 0.502 458 L N -0.087 121.159 121.223 0.039 0.000 2.323 458 L HA 0.695 5.018 4.340 -0.029 0.000 0.265 458 L C 1.123 177.999 176.870 0.010 0.000 1.012 458 L CA -0.761 54.099 54.840 0.034 0.000 0.820 458 L CB 2.027 44.112 42.059 0.043 0.000 1.334 458 L HN 0.403 nan 8.230 nan 0.000 0.427 459 S N 0.529 116.239 115.700 0.016 0.000 2.498 459 S HA 0.124 4.576 4.470 -0.029 0.000 0.281 459 S C -0.254 174.350 174.600 0.008 0.000 1.265 459 S CA -0.558 57.651 58.200 0.014 0.000 1.071 459 S CB 0.213 63.428 63.200 0.025 0.000 0.894 459 S HN 0.570 nan 8.310 nan 0.000 0.491 460 Q N 4.327 124.127 119.800 0.000 0.000 2.389 460 Q HA 0.306 4.628 4.340 -0.029 0.000 0.244 460 Q C -2.066 173.956 176.000 0.036 0.000 1.056 460 Q CA -1.653 54.150 55.803 -0.001 0.000 0.908 460 Q CB 0.604 29.334 28.738 -0.014 0.000 1.273 460 Q HN 0.609 nan 8.270 nan 0.000 0.471 461 P HA 0.111 nan 4.420 nan 0.000 0.287 461 P C -0.647 176.699 177.300 0.076 0.000 1.281 461 P CA -0.306 62.839 63.100 0.076 0.000 0.781 461 P CB 1.237 32.996 31.700 0.098 0.000 0.903 462 K N 0.935 121.369 120.400 0.057 0.000 2.373 462 K HA 0.155 4.458 4.320 -0.029 0.000 0.202 462 K C 0.604 177.236 176.600 0.053 0.000 1.025 462 K CA 0.170 56.492 56.287 0.058 0.000 1.115 462 K CB 0.602 33.132 32.500 0.050 0.000 0.858 462 K HN 0.596 nan 8.250 nan 0.000 0.525 463 T N -3.113 111.468 114.554 0.045 0.000 2.896 463 T HA 0.241 4.573 4.350 -0.029 0.000 0.297 463 T C 0.885 175.601 174.700 0.028 0.000 1.108 463 T CA -0.928 61.194 62.100 0.035 0.000 1.004 463 T CB 1.597 70.483 68.868 0.031 0.000 1.159 463 T HN -0.106 nan 8.240 nan 0.000 0.499 464 L N 0.866 122.100 121.223 0.018 0.000 1.991 464 L HA -0.192 4.131 4.340 -0.029 0.000 0.221 464 L C 2.581 179.458 176.870 0.013 0.000 1.079 464 L CA 2.176 57.022 54.840 0.010 0.000 0.778 464 L CB -0.497 41.565 42.059 0.005 0.000 0.893 464 L HN 0.929 nan 8.230 nan 0.000 0.437 465 K N -0.751 119.658 120.400 0.015 0.000 2.097 465 K HA -0.140 4.163 4.320 -0.029 0.000 0.206 465 K C 1.883 178.496 176.600 0.021 0.000 1.049 465 K CA 1.328 57.624 56.287 0.015 0.000 0.933 465 K CB -0.334 32.175 32.500 0.015 0.000 0.717 465 K HN 0.547 nan 8.250 nan 0.000 0.442 466 G N 0.785 109.601 108.800 0.027 0.000 2.402 466 G HA2 -0.225 3.718 3.960 -0.029 0.000 0.216 466 G HA3 -0.225 3.718 3.960 -0.029 0.000 0.216 466 G C 1.329 176.255 174.900 0.043 0.000 1.162 466 G CA 0.586 45.707 45.100 0.035 0.000 0.777 466 G HN 0.266 nan 8.290 nan 0.000 0.539 467 L N 0.376 121.622 121.223 0.039 0.000 2.141 467 L HA 0.023 4.346 4.340 -0.029 0.000 0.209 467 L C 2.830 179.712 176.870 0.019 0.000 1.094 467 L CA 1.667 56.527 54.840 0.034 0.000 0.763 467 L CB -0.425 41.639 42.059 0.010 0.000 0.908 467 L HN 0.289 nan 8.230 nan 0.000 0.437 468 Q N -1.363 118.446 119.800 0.015 0.000 2.084 468 Q HA -0.173 4.150 4.340 -0.029 0.000 0.202 468 Q C 1.931 177.940 176.000 0.015 0.000 0.978 468 Q CA 2.132 57.941 55.803 0.009 0.000 0.844 468 Q CB -0.222 28.521 28.738 0.008 0.000 0.898 468 Q HN 0.532 nan 8.270 nan 0.000 0.426 469 T N 0.380 114.947 114.554 0.022 0.000 2.857 469 T HA -0.077 4.256 4.350 -0.029 0.000 0.266 469 T C 2.036 176.755 174.700 0.032 0.000 1.048 469 T CA 1.022 63.136 62.100 0.024 0.000 1.139 469 T CB -0.111 68.772 68.868 0.025 0.000 0.874 469 T HN 0.032 nan 8.240 nan 0.000 0.455 470 V N 1.279 121.221 119.914 0.046 0.000 2.270 470 V HA -0.060 4.043 4.120 -0.029 0.000 0.245 470 V C 2.256 178.381 176.094 0.051 0.000 1.043 470 V CA 1.321 63.660 62.300 0.065 0.000 1.014 470 V CB -0.521 31.369 31.823 0.113 0.000 0.645 470 V HN 0.317 nan 8.190 nan 0.000 0.447 471 L N -0.556 120.686 121.223 0.031 0.000 2.478 471 L HA 0.122 4.445 4.340 -0.029 0.000 0.223 471 L C 1.245 178.117 176.870 0.004 0.000 1.140 471 L CA 0.822 55.667 54.840 0.007 0.000 0.842 471 L CB -1.157 40.888 42.059 -0.023 0.000 0.953 471 L HN 0.373 nan 8.230 nan 0.000 0.452 472 K N 0.853 121.259 120.400 0.009 0.000 3.077 472 K HA -0.235 4.068 4.320 -0.029 0.000 0.264 472 K C -0.054 176.546 176.600 -0.000 0.000 1.008 472 K CA 0.480 56.770 56.287 0.006 0.000 0.740 472 K CB -1.409 31.095 32.500 0.007 0.000 1.273 472 K HN 0.336 nan 8.250 nan 0.000 0.477 473 N N 0.203 118.902 118.700 -0.003 0.000 2.578 473 N HA 0.152 4.874 4.740 -0.029 0.000 0.282 473 N C 0.043 175.550 175.510 -0.005 0.000 1.119 473 N CA -0.549 52.498 53.050 -0.006 0.000 0.948 473 N CB 1.391 39.871 38.487 -0.011 0.000 1.546 473 N HN -0.017 nan 8.380 nan 0.000 0.525 474 K N 2.409 122.808 120.400 -0.003 0.000 2.007 474 K HA 0.202 4.505 4.320 -0.029 0.000 0.206 474 K C 1.671 178.269 176.600 -0.003 0.000 1.047 474 K CA 0.972 57.258 56.287 -0.001 0.000 0.937 474 K CB 0.240 32.741 32.500 0.000 0.000 0.718 474 K HN 0.532 nan 8.250 nan 0.000 0.438 475 I N 1.019 121.588 120.570 -0.002 0.000 2.226 475 I HA -0.268 3.885 4.170 -0.029 0.000 0.245 475 I C 2.341 178.457 176.117 -0.002 0.000 1.100 475 I CA 0.713 62.012 61.300 -0.001 0.000 1.374 475 I CB -0.204 37.797 38.000 0.002 0.000 1.057 475 I HN 0.147 nan 8.210 nan 0.000 0.413 476 L N 1.377 122.597 121.223 -0.006 0.000 1.994 476 L HA -0.137 4.185 4.340 -0.029 0.000 0.208 476 L C 2.663 179.525 176.870 -0.014 0.000 1.071 476 L CA 2.165 57.000 54.840 -0.009 0.000 0.745 476 L CB -0.778 41.270 42.059 -0.019 0.000 0.892 476 L HN 0.176 nan 8.230 nan 0.000 0.431 477 A N -0.592 122.217 122.820 -0.018 0.000 1.917 477 A HA -0.329 3.974 4.320 -0.029 0.000 0.219 477 A C 2.479 180.057 177.584 -0.011 0.000 1.182 477 A CA 2.327 54.352 52.037 -0.021 0.000 0.633 477 A CB -0.747 18.245 19.000 -0.014 0.000 0.819 477 A HN 0.524 nan 8.150 nan 0.000 0.448 478 K N -0.371 120.025 120.400 -0.006 0.000 2.097 478 K HA -0.146 4.157 4.320 -0.029 0.000 0.206 478 K C 2.019 178.617 176.600 -0.003 0.000 1.049 478 K CA 1.655 57.940 56.287 -0.005 0.000 0.933 478 K CB -0.132 32.365 32.500 -0.004 0.000 0.717 478 K HN 0.509 nan 8.250 nan 0.000 0.442 479 K N 0.163 120.564 120.400 0.002 0.000 2.103 479 K HA -0.100 4.203 4.320 -0.029 0.000 0.204 479 K C 1.991 178.604 176.600 0.023 0.000 1.052 479 K CA 0.586 56.877 56.287 0.006 0.000 0.945 479 K CB -0.035 32.471 32.500 0.012 0.000 0.722 479 K HN 0.022 nan 8.250 nan 0.000 0.443 480 L N 1.064 122.311 121.223 0.040 0.000 1.994 480 L HA -0.155 4.168 4.340 -0.029 0.000 0.208 480 L C 2.234 179.176 176.870 0.120 0.000 1.071 480 L CA 1.737 56.642 54.840 0.108 0.000 0.745 480 L CB -0.659 41.419 42.059 0.030 0.000 0.892 480 L HN 0.234 nan 8.230 nan 0.000 0.431 481 M N -0.840 118.782 119.600 0.037 0.000 2.108 481 M HA -0.213 4.250 4.480 -0.029 0.000 0.261 481 M C 1.931 178.209 176.300 -0.038 0.000 1.066 481 M CA 1.416 56.716 55.300 0.001 0.000 1.107 481 M CB -1.345 31.241 32.600 -0.022 0.000 1.356 481 M HN 0.235 nan 8.290 nan 0.000 0.406 482 D N 0.215 120.593 120.400 -0.036 0.000 2.123 482 D HA -0.111 4.512 4.640 -0.029 0.000 0.196 482 D C 2.212 178.455 176.300 -0.096 0.000 0.992 482 D CA 1.201 55.163 54.000 -0.064 0.000 0.833 482 D CB -0.146 40.627 40.800 -0.044 0.000 0.954 482 D HN 0.360 nan 8.370 nan 0.000 0.455 483 L N -1.226 119.937 121.223 -0.101 0.000 2.307 483 L HA -0.037 4.286 4.340 -0.029 0.000 0.211 483 L C 1.477 178.154 176.870 -0.322 0.000 1.099 483 L CA 0.521 55.225 54.840 -0.226 0.000 0.816 483 L CB 0.008 41.884 42.059 -0.305 0.000 0.952 483 L HN 0.012 nan 8.230 nan 0.000 0.455 484 Y N -0.879 119.365 120.300 -0.093 0.000 2.444 484 Y HA 0.096 4.629 4.550 -0.028 0.000 0.249 484 Y C 1.096 176.873 175.900 -0.205 0.000 1.134 484 Y CA -0.671 57.372 58.100 -0.096 0.000 1.261 484 Y CB 0.415 38.841 38.460 -0.057 0.000 1.143 484 Y HN -0.074 nan 8.280 nan 0.000 0.523 485 K N -0.447 119.823 120.400 -0.216 0.000 3.518 485 K HA -0.285 4.018 4.320 -0.029 0.000 0.285 485 K C 0.411 176.794 176.600 -0.361 0.000 1.081 485 K CA 1.847 57.783 56.287 -0.584 0.000 1.081 485 K CB -1.817 29.678 32.500 -1.675 0.000 1.441 485 K HN 0.382 nan 8.250 nan 0.000 0.420 486 T N -0.927 113.579 114.554 -0.081 0.000 3.012 486 T HA 0.434 4.766 4.350 -0.029 0.000 0.330 486 T C -2.662 172.074 174.700 0.060 0.000 1.321 486 T CA -1.296 60.839 62.100 0.059 0.000 1.067 486 T CB 2.156 71.156 68.868 0.221 0.000 1.235 486 T HN -0.260 nan 8.240 nan 0.000 0.479 487 P HA 0.052 nan 4.420 nan 0.000 0.228 487 P C 0.672 178.017 177.300 0.074 0.000 1.151 487 P CA 0.552 63.676 63.100 0.039 0.000 0.770 487 P CB 0.196 31.956 31.700 0.101 0.000 0.786 488 D N -0.829 119.615 120.400 0.074 0.000 2.178 488 D HA -0.087 4.536 4.640 -0.029 0.000 0.202 488 D C 1.192 177.500 176.300 0.013 0.000 0.974 488 D CA 1.063 55.095 54.000 0.054 0.000 0.841 488 D CB -0.543 40.290 40.800 0.056 0.000 0.953 488 D HN 0.152 nan 8.370 nan 0.000 0.478 489 N N -0.024 118.685 118.700 0.016 0.000 2.336 489 N HA 0.104 4.827 4.740 -0.029 0.000 0.189 489 N C 0.269 175.655 175.510 -0.206 0.000 1.113 489 N CA -0.059 52.990 53.050 -0.001 0.000 0.858 489 N CB 0.411 39.004 38.487 0.177 0.000 0.970 489 N HN 0.240 nan 8.380 nan 0.000 0.471 490 I N 1.827 122.125 120.570 -0.453 0.000 2.662 490 I HA -0.068 4.085 4.170 -0.029 0.000 0.285 490 I C 0.093 175.970 176.117 -0.400 0.000 1.161 490 I CA 0.139 60.874 61.300 -0.942 0.000 1.415 490 I CB 0.186 37.788 38.000 -0.665 0.000 1.385 490 I HN -0.083 nan 8.210 nan 0.000 0.552 491 D N 6.065 126.262 120.400 -0.338 0.000 2.458 491 D HA -0.044 4.578 4.640 -0.029 0.000 0.243 491 D C 1.166 177.496 176.300 0.050 0.000 1.146 491 D CA -0.064 53.930 54.000 -0.011 0.000 0.877 491 D CB 1.511 42.391 40.800 0.132 0.000 1.176 491 D HN 0.445 nan 8.370 nan 0.000 0.461 492 I N 3.057 123.695 120.570 0.112 0.000 2.185 492 I HA -0.255 3.898 4.170 -0.029 0.000 0.246 492 I C 1.787 177.989 176.117 0.142 0.000 1.088 492 I CA 1.442 62.829 61.300 0.145 0.000 1.347 492 I CB -0.246 37.772 38.000 0.030 0.000 1.041 492 I HN 0.623 nan 8.210 nan 0.000 0.415 493 W N 0.899 122.195 121.300 -0.007 0.000 2.322 493 W HA -0.234 4.409 4.660 -0.028 0.000 0.326 493 W C 2.521 179.077 176.519 0.062 0.000 1.224 493 W CA 2.389 59.769 57.345 0.058 0.000 1.257 493 W CB -0.802 28.724 29.460 0.108 0.000 1.174 493 W HN 0.165 nan 8.180 nan 0.000 0.460 494 I N 0.796 121.385 120.570 0.032 0.000 2.567 494 I HA -0.131 4.022 4.170 -0.029 0.000 0.257 494 I C 2.132 178.123 176.117 -0.211 0.000 1.184 494 I CA 1.635 62.798 61.300 -0.228 0.000 1.451 494 I CB -0.900 37.124 38.000 0.040 0.000 1.089 494 I HN 0.217 nan 8.210 nan 0.000 0.441 495 G N 0.157 108.871 108.800 -0.143 0.000 2.434 495 G HA2 -0.209 3.734 3.960 -0.029 0.000 0.214 495 G HA3 -0.209 3.734 3.960 -0.029 0.000 0.214 495 G C 1.582 176.430 174.900 -0.086 0.000 1.202 495 G CA 0.640 45.592 45.100 -0.246 0.000 0.788 495 G HN 0.483 nan 8.290 nan 0.000 0.539 496 G N 0.405 109.240 108.800 0.059 0.000 2.443 496 G HA2 -0.160 3.782 3.960 -0.029 0.000 0.219 496 G HA3 -0.160 3.782 3.960 -0.029 0.000 0.219 496 G C 1.608 176.481 174.900 -0.045 0.000 1.131 496 G CA 0.986 46.127 45.100 0.068 0.000 0.775 496 G HN 0.528 nan 8.290 nan 0.000 0.547 497 N N 0.192 118.789 118.700 -0.171 0.000 2.424 497 N HA 0.209 4.932 4.740 -0.029 0.000 0.178 497 N C 2.111 177.533 175.510 -0.147 0.000 1.060 497 N CA 0.508 53.443 53.050 -0.191 0.000 0.901 497 N CB 0.113 38.371 38.487 -0.381 0.000 0.979 497 N HN 0.300 nan 8.380 nan 0.000 0.451 498 A N 0.559 123.289 122.820 -0.151 0.000 2.169 498 A HA 0.034 4.336 4.320 -0.029 0.000 0.212 498 A C 0.579 178.121 177.584 -0.071 0.000 1.153 498 A CA 0.302 52.268 52.037 -0.118 0.000 0.756 498 A CB 0.042 18.952 19.000 -0.150 0.000 0.813 498 A HN 0.233 nan 8.150 nan 0.000 0.471 499 E N 1.166 121.341 120.200 -0.041 0.000 2.383 499 E HA 0.252 4.585 4.350 -0.029 0.000 0.264 499 E C -2.412 174.185 176.600 -0.004 0.000 1.050 499 E CA -1.913 54.490 56.400 0.005 0.000 0.896 499 E CB 0.318 30.052 29.700 0.058 0.000 0.982 499 E HN 0.240 nan 8.360 nan 0.000 0.424 500 P HA 0.009 nan 4.420 nan 0.000 0.274 500 P C -0.500 176.799 177.300 -0.002 0.000 1.231 500 P CA 0.043 63.142 63.100 -0.002 0.000 0.790 500 P CB 0.514 32.215 31.700 0.002 0.000 0.951 501 M N 1.182 120.778 119.600 -0.007 0.000 2.248 501 M HA 0.122 4.585 4.480 -0.029 0.000 0.337 501 M C 0.735 177.030 176.300 -0.009 0.000 1.121 501 M CA -0.379 54.912 55.300 -0.014 0.000 1.155 501 M CB 0.292 32.884 32.600 -0.014 0.000 1.514 501 M HN 0.183 nan 8.290 nan 0.000 0.452 502 V N -0.195 119.713 119.914 -0.011 0.000 3.264 502 V HA 0.197 4.300 4.120 -0.029 0.000 0.304 502 V C 0.345 176.433 176.094 -0.011 0.000 1.086 502 V CA -0.891 61.409 62.300 -0.000 0.000 1.090 502 V CB 0.698 32.530 31.823 0.015 0.000 1.112 502 V HN 0.917 nan 8.190 nan 0.000 0.472 503 E N 2.297 122.492 120.200 -0.008 0.000 2.603 503 E HA -0.021 4.312 4.350 -0.029 0.000 0.242 503 E C 0.403 176.986 176.600 -0.027 0.000 1.083 503 E CA 0.477 56.867 56.400 -0.016 0.000 0.950 503 E CB -0.193 29.499 29.700 -0.012 0.000 0.952 503 E HN 0.728 nan 8.360 nan 0.000 0.498 504 R N 0.957 121.435 120.500 -0.037 0.000 3.954 504 R HA -0.166 4.157 4.340 -0.029 0.000 0.422 504 R C 0.361 176.621 176.300 -0.066 0.000 1.091 504 R CA 0.815 56.883 56.100 -0.053 0.000 1.168 504 R CB -2.041 28.230 30.300 -0.048 0.000 1.752 504 R HN 0.621 nan 8.270 nan 0.000 0.547 505 G N -0.621 108.145 108.800 -0.056 0.000 2.971 505 G HA2 0.592 4.535 3.960 -0.029 0.000 0.235 505 G HA3 0.592 4.535 3.960 -0.029 0.000 0.235 505 G C 0.408 175.273 174.900 -0.059 0.000 1.351 505 G CA -0.434 44.626 45.100 -0.067 0.000 1.039 505 G HN 0.021 nan 8.290 nan 0.000 0.563 506 R N -0.784 119.686 120.500 -0.051 0.000 2.569 506 R HA 0.275 4.598 4.340 -0.029 0.000 0.422 506 R C -0.322 175.934 176.300 -0.075 0.000 0.980 506 R CA -0.017 56.087 56.100 0.007 0.000 1.164 506 R CB 0.318 30.734 30.300 0.194 0.000 1.520 506 R HN 0.575 nan 8.270 nan 0.000 0.567 507 V N -4.057 115.771 119.914 -0.144 0.000 3.147 507 V HA 0.906 5.008 4.120 -0.029 0.000 0.306 507 V C 0.341 176.377 176.094 -0.096 0.000 1.209 507 V CA -1.016 61.169 62.300 -0.192 0.000 1.023 507 V CB 1.718 33.302 31.823 -0.398 0.000 1.059 507 V HN 0.050 nan 8.190 nan 0.000 0.435 508 G N 0.558 109.318 108.800 -0.066 0.000 2.588 508 G HA2 0.536 4.479 3.960 -0.029 0.000 0.278 508 G HA3 0.536 4.479 3.960 -0.029 0.000 0.278 508 G C -1.784 173.120 174.900 0.006 0.000 1.307 508 G CA -0.772 44.320 45.100 -0.014 0.000 1.016 508 G HN 0.660 nan 8.290 nan 0.000 0.503 509 P HA -0.083 nan 4.420 nan 0.000 0.216 509 P C 2.077 179.418 177.300 0.069 0.000 1.153 509 P CA 0.335 63.488 63.100 0.088 0.000 0.848 509 P CB 0.122 31.880 31.700 0.097 0.000 0.787 510 L N -1.106 120.149 121.223 0.054 0.000 2.005 510 L HA -0.120 4.203 4.340 -0.029 0.000 0.207 510 L C 2.065 178.920 176.870 -0.025 0.000 1.072 510 L CA 1.946 56.809 54.840 0.038 0.000 0.744 510 L CB -1.558 40.547 42.059 0.076 0.000 0.895 510 L HN -0.153 nan 8.230 nan 0.000 0.433 511 L N -0.042 121.155 121.223 -0.042 0.000 2.083 511 L HA -0.100 4.223 4.340 -0.029 0.000 0.209 511 L C 2.686 179.464 176.870 -0.153 0.000 1.083 511 L CA 1.885 56.667 54.840 -0.098 0.000 0.752 511 L CB -1.642 40.342 42.059 -0.126 0.000 0.899 511 L HN 0.372 nan 8.230 nan 0.000 0.433 512 A N -1.433 121.302 122.820 -0.143 0.000 1.908 512 A HA -0.317 3.986 4.320 -0.029 0.000 0.218 512 A C 2.611 179.925 177.584 -0.450 0.000 1.181 512 A CA 1.948 53.888 52.037 -0.161 0.000 0.627 512 A CB -1.428 17.581 19.000 0.015 0.000 0.818 512 A HN 0.599 nan 8.150 nan 0.000 0.445 513 c N -0.492 117.740 118.600 -0.613 0.000 2.453 513 c HA 0.007 4.560 4.570 -0.029 0.000 0.277 513 c C 2.595 176.285 174.090 -0.667 0.000 1.262 513 c CA 1.148 56.690 56.329 -1.313 0.000 1.718 513 c CB -1.537 40.467 42.510 -0.843 0.000 2.031 513 c HN 0.571 nan 8.230 nan 0.000 0.480 514 L N 0.405 121.496 121.223 -0.219 0.000 2.046 514 L HA -0.120 4.203 4.340 -0.029 0.000 0.208 514 L C 2.762 179.709 176.870 0.129 0.000 1.077 514 L CA 1.446 56.324 54.840 0.065 0.000 0.747 514 L CB -0.679 41.374 42.059 -0.010 0.000 0.896 514 L HN 0.429 nan 8.230 nan 0.000 0.432 515 L N -0.517 120.718 121.223 0.020 0.000 1.988 515 L HA -0.132 4.190 4.340 -0.029 0.000 0.207 515 L C 2.722 179.724 176.870 0.219 0.000 1.071 515 L CA 1.578 56.519 54.840 0.168 0.000 0.744 515 L CB -1.230 40.857 42.059 0.046 0.000 0.893 515 L HN 0.300 nan 8.230 nan 0.000 0.433 516 G N -0.386 108.416 108.800 0.004 0.000 2.469 516 G HA2 -0.277 3.666 3.960 -0.029 0.000 0.219 516 G HA3 -0.277 3.666 3.960 -0.029 0.000 0.219 516 G C 1.703 176.709 174.900 0.177 0.000 1.150 516 G CA 0.670 45.832 45.100 0.104 0.000 0.763 516 G HN 0.259 nan 8.290 nan 0.000 0.561 517 R N -0.358 120.160 120.500 0.031 0.000 2.082 517 R HA -0.123 4.200 4.340 -0.029 0.000 0.234 517 R C 2.678 179.087 176.300 0.182 0.000 1.136 517 R CA 1.693 57.849 56.100 0.093 0.000 0.935 517 R CB -0.594 29.670 30.300 -0.059 0.000 0.842 517 R HN 0.395 nan 8.270 nan 0.000 0.430 518 Q N 0.339 120.309 119.800 0.283 0.000 2.112 518 Q HA -0.162 4.160 4.340 -0.029 0.000 0.206 518 Q C 1.706 177.604 176.000 -0.170 0.000 0.987 518 Q CA 1.818 57.648 55.803 0.046 0.000 0.858 518 Q CB -0.272 28.190 28.738 -0.460 0.000 0.905 518 Q HN 0.237 nan 8.270 nan 0.000 0.420 519 F N 0.274 120.250 119.950 0.043 0.000 2.407 519 F HA -0.035 4.477 4.527 -0.024 0.000 0.299 519 F C 2.358 178.311 175.800 0.254 0.000 1.097 519 F CA 1.179 59.252 58.000 0.123 0.000 1.422 519 F CB -0.247 38.751 39.000 -0.003 0.000 1.067 519 F HN 0.281 nan 8.300 nan 0.000 0.539 520 Q N 0.495 120.501 119.800 0.342 0.000 2.245 520 Q HA -0.150 4.173 4.340 -0.029 0.000 0.201 520 Q C 1.647 177.746 176.000 0.165 0.000 0.955 520 Q CA 1.233 57.197 55.803 0.270 0.000 0.870 520 Q CB -0.072 28.805 28.738 0.231 0.000 0.945 520 Q HN 0.472 nan 8.270 nan 0.000 0.461 521 Q N 0.299 120.186 119.800 0.146 0.000 2.212 521 Q HA 0.020 4.343 4.340 -0.029 0.000 0.199 521 Q C 2.170 178.237 176.000 0.112 0.000 0.950 521 Q CA 1.137 57.008 55.803 0.113 0.000 0.863 521 Q CB 0.124 28.940 28.738 0.130 0.000 0.944 521 Q HN 0.562 nan 8.270 nan 0.000 0.465 522 I N -1.999 118.634 120.570 0.105 0.000 3.059 522 I HA -0.026 4.127 4.170 -0.029 0.000 0.270 522 I C 2.327 178.525 176.117 0.136 0.000 1.238 522 I CA 0.619 62.010 61.300 0.151 0.000 1.478 522 I CB -0.260 37.812 38.000 0.121 0.000 1.097 522 I HN 0.034 nan 8.210 nan 0.000 0.455 523 R N 1.887 122.325 120.500 -0.105 0.000 2.066 523 R HA -0.094 4.228 4.340 -0.029 0.000 0.224 523 R C 1.492 177.559 176.300 -0.389 0.000 1.122 523 R CA 1.724 57.355 56.100 -0.780 0.000 0.974 523 R CB -0.243 29.292 30.300 -1.275 0.000 0.871 523 R HN 0.278 nan 8.270 nan 0.000 0.435 524 D N -0.233 120.118 120.400 -0.082 0.000 2.219 524 D HA -0.051 4.572 4.640 -0.029 0.000 0.205 524 D C 1.458 177.880 176.300 0.205 0.000 0.970 524 D CA 1.418 55.471 54.000 0.088 0.000 0.851 524 D CB -0.272 40.554 40.800 0.044 0.000 0.943 524 D HN 0.506 nan 8.370 nan 0.000 0.488 525 G N -0.320 108.620 108.800 0.233 0.000 3.042 525 G HA2 -0.057 3.886 3.960 -0.029 0.000 0.212 525 G HA3 -0.057 3.886 3.960 -0.029 0.000 0.212 525 G C 0.035 175.265 174.900 0.549 0.000 1.166 525 G CA -0.255 45.066 45.100 0.368 0.000 0.767 525 G HN 0.022 nan 8.290 nan 0.000 0.546 526 D N 0.244 120.904 120.400 0.433 0.000 2.347 526 D HA 0.173 4.795 4.640 -0.029 0.000 0.235 526 D C 1.521 177.819 176.300 -0.004 0.000 1.149 526 D CA -0.599 53.571 54.000 0.284 0.000 0.850 526 D CB 0.900 41.955 40.800 0.426 0.000 1.061 526 D HN 0.107 nan 8.370 nan 0.000 0.487 527 R N 2.830 123.055 120.500 -0.459 0.000 2.285 527 R HA -0.048 4.275 4.340 -0.029 0.000 0.213 527 R C 0.471 176.295 176.300 -0.792 0.000 1.068 527 R CA 1.048 56.472 56.100 -1.126 0.000 1.004 527 R CB -0.029 29.564 30.300 -1.177 0.000 0.873 527 R HN 0.400 nan 8.270 nan 0.000 0.467 528 F N -0.764 119.081 119.950 -0.175 0.000 2.668 528 F HA 0.188 4.697 4.527 -0.029 0.000 0.301 528 F C 0.313 176.192 175.800 0.131 0.000 1.106 528 F CA -0.864 57.104 58.000 -0.054 0.000 1.289 528 F CB 0.104 39.045 39.000 -0.097 0.000 1.006 528 F HN 0.081 nan 8.300 nan 0.000 0.535 529 W N 2.854 124.208 121.300 0.090 0.000 2.293 529 W HA -0.166 4.475 4.660 -0.032 0.000 0.342 529 W C 1.371 177.996 176.519 0.176 0.000 1.274 529 W CA -0.385 57.020 57.345 0.101 0.000 1.290 529 W CB 0.460 29.880 29.460 -0.067 0.000 1.176 529 W HN 0.494 nan 8.180 nan 0.000 0.570 530 W N 4.269 125.257 121.300 -0.519 0.000 2.392 530 W HA -0.157 4.484 4.660 -0.032 0.000 0.279 530 W C 0.803 177.313 176.519 -0.015 0.000 1.225 530 W CA 1.360 58.660 57.345 -0.075 0.000 1.233 530 W CB -0.631 28.689 29.460 -0.233 0.000 1.122 530 W HN 0.483 nan 8.180 nan 0.000 0.561 531 E N 0.684 120.203 120.200 -1.134 0.000 2.385 531 E HA -0.105 4.227 4.350 -0.029 0.000 0.194 531 E C 0.326 176.912 176.600 -0.024 0.000 1.013 531 E CA -0.170 55.740 56.400 -0.817 0.000 0.866 531 E CB -0.287 28.850 29.700 -0.938 0.000 0.832 531 E HN 0.008 nan 8.360 nan 0.000 0.500 532 N N 2.618 121.433 118.700 0.191 0.000 2.414 532 N HA -0.014 4.709 4.740 -0.029 0.000 0.268 532 N C -2.641 172.939 175.510 0.117 0.000 1.286 532 N CA -1.300 51.932 53.050 0.303 0.000 0.896 532 N CB 0.452 39.095 38.487 0.261 0.000 1.093 532 N HN -0.237 nan 8.380 nan 0.000 0.480 533 P HA 0.008 nan 4.420 nan 0.000 0.259 533 P C 0.704 178.008 177.300 0.006 0.000 1.155 533 P CA 1.073 64.196 63.100 0.039 0.000 0.759 533 P CB 0.233 31.949 31.700 0.027 0.000 0.753 534 G N 1.390 110.194 108.800 0.006 0.000 2.195 534 G HA2 -0.294 3.649 3.960 -0.029 0.000 0.246 534 G HA3 -0.294 3.649 3.960 -0.029 0.000 0.246 534 G C 0.921 175.790 174.900 -0.053 0.000 0.984 534 G CA 0.171 45.256 45.100 -0.025 0.000 0.633 534 G HN 0.416 nan 8.290 nan 0.000 0.525 535 V N -0.685 119.205 119.914 -0.040 0.000 2.488 535 V HA 0.356 4.459 4.120 -0.029 0.000 0.246 535 V C 1.284 177.217 176.094 -0.268 0.000 1.046 535 V CA 1.919 64.145 62.300 -0.123 0.000 1.053 535 V CB -0.363 31.433 31.823 -0.045 0.000 0.679 535 V HN 0.326 nan 8.190 nan 0.000 0.458 536 F N -0.906 119.076 119.950 0.054 0.000 2.691 536 F HA 0.543 5.054 4.527 -0.027 0.000 0.334 536 F C 0.443 176.218 175.800 -0.043 0.000 1.107 536 F CA -0.737 57.277 58.000 0.023 0.000 0.991 536 F CB 1.564 40.624 39.000 0.101 0.000 1.400 536 F HN -0.186 nan 8.300 nan 0.000 0.503 537 T N -2.844 111.776 114.554 0.109 0.000 2.929 537 T HA 0.314 4.647 4.350 -0.029 0.000 0.284 537 T C 0.601 175.306 174.700 0.009 0.000 1.014 537 T CA -0.620 61.486 62.100 0.010 0.000 1.051 537 T CB 1.662 70.490 68.868 -0.067 0.000 1.028 537 T HN 0.660 nan 8.240 nan 0.000 0.485 538 E N 0.429 120.635 120.200 0.009 0.000 2.208 538 E HA -0.245 4.088 4.350 -0.029 0.000 0.202 538 E C 1.881 178.481 176.600 -0.001 0.000 1.014 538 E CA 1.606 58.013 56.400 0.011 0.000 0.819 538 E CB -0.036 29.668 29.700 0.006 0.000 0.735 538 E HN 0.721 nan 8.360 nan 0.000 0.469 539 K N 0.055 120.436 120.400 -0.033 0.000 2.137 539 K HA -0.084 4.219 4.320 -0.029 0.000 0.202 539 K C 2.080 178.632 176.600 -0.080 0.000 1.052 539 K CA 0.827 57.087 56.287 -0.044 0.000 0.961 539 K CB 0.172 32.641 32.500 -0.052 0.000 0.741 539 K HN 0.036 nan 8.250 nan 0.000 0.452 540 Q N 0.147 119.835 119.800 -0.186 0.000 2.030 540 Q HA -0.143 4.180 4.340 -0.029 0.000 0.204 540 Q C 2.094 178.038 176.000 -0.093 0.000 0.986 540 Q CA 1.668 57.254 55.803 -0.361 0.000 0.843 540 Q CB -0.025 28.364 28.738 -0.582 0.000 0.904 540 Q HN 0.216 nan 8.270 nan 0.000 0.420 541 R N 0.465 120.969 120.500 0.008 0.000 2.117 541 R HA -0.188 4.135 4.340 -0.029 0.000 0.243 541 R C 1.679 178.048 176.300 0.114 0.000 1.143 541 R CA 1.694 57.892 56.100 0.163 0.000 0.968 541 R CB -0.267 30.168 30.300 0.225 0.000 0.863 541 R HN 0.340 nan 8.270 nan 0.000 0.444 542 D N -0.320 120.111 120.400 0.052 0.000 2.178 542 D HA -0.096 4.526 4.640 -0.029 0.000 0.201 542 D C 1.733 178.023 176.300 -0.016 0.000 0.980 542 D CA 1.248 55.267 54.000 0.031 0.000 0.842 542 D CB 0.157 40.969 40.800 0.021 0.000 0.948 542 D HN 0.057 nan 8.370 nan 0.000 0.472 543 S N -0.609 115.078 115.700 -0.021 0.000 2.362 543 S HA 0.002 4.455 4.470 -0.029 0.000 0.221 543 S C 2.002 176.406 174.600 -0.326 0.000 1.032 543 S CA 0.367 58.528 58.200 -0.064 0.000 0.973 543 S CB -0.089 63.204 63.200 0.156 0.000 0.849 543 S HN 0.228 nan 8.310 nan 0.000 0.465 544 L N 1.322 122.314 121.223 -0.385 0.000 2.046 544 L HA -0.144 4.179 4.340 -0.029 0.000 0.208 544 L C 2.601 179.058 176.870 -0.689 0.000 1.077 544 L CA 1.183 55.499 54.840 -0.873 0.000 0.747 544 L CB -0.568 41.158 42.059 -0.556 0.000 0.896 544 L HN 0.299 nan 8.230 nan 0.000 0.432 545 Q N 0.188 119.792 119.800 -0.325 0.000 2.376 545 Q HA -0.206 4.117 4.340 -0.029 0.000 0.211 545 Q C 1.710 177.630 176.000 -0.134 0.000 0.986 545 Q CA 1.343 57.059 55.803 -0.145 0.000 0.886 545 Q CB 0.096 28.859 28.738 0.042 0.000 0.927 545 Q HN 0.400 nan 8.270 nan 0.000 0.457 546 K N -0.878 119.391 120.400 -0.219 0.000 2.404 546 K HA 0.087 4.389 4.320 -0.029 0.000 0.194 546 K C -0.360 176.200 176.600 -0.067 0.000 1.023 546 K CA -0.367 55.845 56.287 -0.126 0.000 1.094 546 K CB 0.345 32.772 32.500 -0.122 0.000 0.841 546 K HN 0.081 nan 8.250 nan 0.000 0.523 547 F N 1.737 121.667 119.950 -0.033 0.000 2.626 547 F HA -0.135 4.374 4.527 -0.031 0.000 0.354 547 F C 1.094 176.920 175.800 0.043 0.000 1.168 547 F CA 0.260 58.282 58.000 0.038 0.000 1.368 547 F CB 0.497 39.566 39.000 0.114 0.000 1.092 547 F HN -0.024 nan 8.300 nan 0.000 0.612 548 S N 1.891 117.794 115.700 0.339 0.000 2.537 548 S HA 0.286 4.739 4.470 -0.029 0.000 0.271 548 S C -0.208 174.540 174.600 0.248 0.000 1.148 548 S CA -0.928 57.396 58.200 0.208 0.000 0.868 548 S CB 0.748 64.010 63.200 0.104 0.000 1.115 548 S HN 0.550 nan 8.310 nan 0.000 0.461 549 F N 2.398 122.397 119.950 0.081 0.000 2.293 549 F HA 0.039 4.549 4.527 -0.029 0.000 0.300 549 F C 2.353 178.163 175.800 0.017 0.000 1.086 549 F CA 1.781 59.820 58.000 0.065 0.000 1.375 549 F CB -0.241 38.691 39.000 -0.112 0.000 1.045 549 F HN 0.690 nan 8.300 nan 0.000 0.516 550 S N 0.135 115.895 115.700 0.100 0.000 2.359 550 S HA -0.254 4.199 4.470 -0.029 0.000 0.224 550 S C 1.991 176.568 174.600 -0.038 0.000 1.035 550 S CA 1.470 59.685 58.200 0.025 0.000 1.018 550 S CB -0.404 62.794 63.200 -0.004 0.000 0.876 550 S HN 0.279 nan 8.310 nan 0.000 0.448 551 R N 1.330 121.812 120.500 -0.030 0.000 2.091 551 R HA -0.002 4.321 4.340 -0.029 0.000 0.238 551 R C 2.168 178.383 176.300 -0.141 0.000 1.136 551 R CA 1.131 57.200 56.100 -0.053 0.000 0.959 551 R CB -1.015 29.284 30.300 -0.002 0.000 0.856 551 R HN 0.385 nan 8.270 nan 0.000 0.437 552 L N 0.204 121.283 121.223 -0.240 0.000 2.043 552 L HA -0.152 4.171 4.340 -0.029 0.000 0.212 552 L C 2.052 178.705 176.870 -0.362 0.000 1.075 552 L CA 1.830 56.417 54.840 -0.421 0.000 0.752 552 L CB -0.299 41.337 42.059 -0.704 0.000 0.891 552 L HN 0.314 nan 8.230 nan 0.000 0.432 553 I N -1.796 118.581 120.570 -0.323 0.000 2.252 553 I HA -0.347 3.805 4.170 -0.029 0.000 0.245 553 I C 2.484 178.529 176.117 -0.121 0.000 1.102 553 I CA 1.210 62.393 61.300 -0.194 0.000 1.385 553 I CB -0.495 37.460 38.000 -0.074 0.000 1.064 553 I HN 0.388 nan 8.210 nan 0.000 0.414 554 c N 0.847 119.394 118.600 -0.088 0.000 2.429 554 c HA -0.167 4.386 4.570 -0.029 0.000 0.277 554 c C 2.157 176.201 174.090 -0.076 0.000 1.262 554 c CA 0.863 57.161 56.329 -0.050 0.000 1.733 554 c CB -0.974 41.520 42.510 -0.027 0.000 2.010 554 c HN 0.519 nan 8.230 nan 0.000 0.483 555 D N 0.224 120.557 120.400 -0.112 0.000 2.349 555 D HA 0.001 4.624 4.640 -0.029 0.000 0.224 555 D C 0.976 177.186 176.300 -0.150 0.000 1.029 555 D CA 0.693 54.622 54.000 -0.118 0.000 0.879 555 D CB -0.432 40.292 40.800 -0.127 0.000 0.906 555 D HN 0.610 nan 8.370 nan 0.000 0.528 556 N N -0.004 118.588 118.700 -0.181 0.000 2.184 556 N HA 0.021 4.744 4.740 -0.029 0.000 0.234 556 N C 0.011 175.379 175.510 -0.236 0.000 1.282 556 N CA 0.177 53.104 53.050 -0.204 0.000 0.877 556 N CB 1.896 40.252 38.487 -0.218 0.000 1.184 556 N HN 0.165 nan 8.380 nan 0.000 0.510 557 T N -3.264 111.142 114.554 -0.247 0.000 2.739 557 T HA 0.305 4.638 4.350 -0.029 0.000 0.303 557 T C -0.372 174.165 174.700 -0.272 0.000 1.389 557 T CA -0.490 61.435 62.100 -0.292 0.000 1.001 557 T CB 1.463 70.230 68.868 -0.169 0.000 1.436 557 T HN 0.034 nan 8.240 nan 0.000 0.500 558 H N 0.006 119.070 119.070 -0.011 0.000 2.537 558 H HA 0.386 4.925 4.556 -0.029 0.000 0.295 558 H C 0.408 175.743 175.328 0.012 0.000 1.054 558 H CA -0.686 55.368 56.048 0.011 0.000 1.156 558 H CB 0.044 29.833 29.762 0.044 0.000 1.468 558 H HN 0.328 nan 8.280 nan 0.000 0.551 559 I N 1.382 122.001 120.570 0.082 0.000 2.696 559 I HA -0.040 4.113 4.170 -0.029 0.000 0.284 559 I C 1.526 177.712 176.117 0.116 0.000 1.129 559 I CA 0.478 61.831 61.300 0.090 0.000 1.410 559 I CB 1.011 39.067 38.000 0.093 0.000 1.399 559 I HN 0.271 nan 8.210 nan 0.000 0.579 560 T N 1.125 115.767 114.554 0.147 0.000 2.958 560 T HA 0.226 4.559 4.350 -0.029 0.000 0.256 560 T C 0.544 175.349 174.700 0.176 0.000 0.983 560 T CA -0.231 61.950 62.100 0.135 0.000 0.924 560 T CB 0.396 69.331 68.868 0.112 0.000 1.136 560 T HN 0.487 nan 8.240 nan 0.000 0.506 561 K N 2.341 122.906 120.400 0.275 0.000 2.450 561 K HA 0.659 4.961 4.320 -0.029 0.000 0.257 561 K C -1.061 175.867 176.600 0.548 0.000 0.953 561 K CA -0.745 55.764 56.287 0.371 0.000 0.844 561 K CB 2.799 35.559 32.500 0.435 0.000 1.103 561 K HN 0.257 nan 8.250 nan 0.000 0.429 562 V N -0.452 119.693 119.914 0.384 0.000 3.007 562 V HA 0.624 4.726 4.120 -0.029 0.000 0.311 562 V C -2.767 173.224 176.094 -0.172 0.000 1.120 562 V CA -2.659 59.790 62.300 0.248 0.000 0.980 562 V CB 2.032 33.940 31.823 0.141 0.000 1.033 562 V HN 0.539 nan 8.190 nan 0.000 0.429 563 P HA 0.207 nan 4.420 nan 0.000 0.274 563 P C 0.122 177.247 177.300 -0.292 0.000 1.231 563 P CA -0.163 62.576 63.100 -0.601 0.000 0.790 563 P CB 1.551 32.853 31.700 -0.663 0.000 0.951 564 L N 1.573 122.619 121.223 -0.294 0.000 2.492 564 L HA 0.070 4.393 4.340 -0.029 0.000 0.223 564 L C 0.809 177.313 176.870 -0.610 0.000 1.132 564 L CA 1.134 55.734 54.840 -0.401 0.000 0.850 564 L CB -1.062 40.728 42.059 -0.449 0.000 0.966 564 L HN 0.435 nan 8.230 nan 0.000 0.454 565 H N -1.415 117.627 119.070 -0.047 0.000 2.651 565 H HA 0.376 4.928 4.556 -0.006 0.000 0.252 565 H C 1.101 176.425 175.328 -0.008 0.000 1.365 565 H CA 0.243 56.299 56.048 0.014 0.000 1.539 565 H CB 0.699 30.470 29.762 0.016 0.000 1.621 565 H HN 0.009 nan 8.280 nan 0.000 0.526 566 A N 1.684 124.524 122.820 0.032 0.000 1.986 566 A HA -0.173 4.130 4.320 -0.029 0.000 0.220 566 A C 1.451 178.931 177.584 -0.172 0.000 1.171 566 A CA 1.256 53.226 52.037 -0.112 0.000 0.640 566 A CB -0.599 18.284 19.000 -0.195 0.000 0.811 566 A HN 0.406 nan 8.150 nan 0.000 0.451 567 F N 0.274 120.239 119.950 0.025 0.000 2.558 567 F HA 0.014 4.522 4.527 -0.032 0.000 0.298 567 F C 1.676 177.493 175.800 0.028 0.000 1.119 567 F CA 0.934 58.970 58.000 0.061 0.000 1.451 567 F CB -0.107 38.952 39.000 0.097 0.000 1.091 567 F HN 0.475 nan 8.300 nan 0.000 0.563 568 Q N 0.721 120.611 119.800 0.150 0.000 2.199 568 Q HA 0.649 4.972 4.340 -0.029 0.000 0.232 568 Q C -0.309 175.716 176.000 0.043 0.000 0.969 568 Q CA -0.990 54.846 55.803 0.055 0.000 0.925 568 Q CB 1.201 29.955 28.738 0.025 0.000 1.198 568 Q HN 0.042 nan 8.270 nan 0.000 0.494 569 A N 1.845 124.681 122.820 0.027 0.000 2.484 569 A HA 0.203 4.506 4.320 -0.029 0.000 0.268 569 A C -0.895 176.724 177.584 0.059 0.000 1.114 569 A CA -0.298 51.769 52.037 0.048 0.000 0.780 569 A CB -0.824 18.198 19.000 0.038 0.000 1.061 569 A HN 0.753 nan 8.150 nan 0.000 0.505 570 N N 2.831 121.582 118.700 0.085 0.000 2.443 570 N HA 0.234 4.956 4.740 -0.029 0.000 0.269 570 N C -1.053 174.622 175.510 0.275 0.000 0.985 570 N CA -0.613 52.496 53.050 0.098 0.000 0.921 570 N CB 1.198 39.620 38.487 -0.109 0.000 1.195 570 N HN 0.636 nan 8.380 nan 0.000 0.492 571 N N 1.572 120.423 118.700 0.250 0.000 2.499 571 N HA 0.091 4.814 4.740 -0.029 0.000 0.281 571 N C -1.181 174.546 175.510 0.361 0.000 1.098 571 N CA -0.080 53.128 53.050 0.263 0.000 0.979 571 N CB 1.144 39.721 38.487 0.149 0.000 1.121 571 N HN 0.514 nan 8.380 nan 0.000 0.466 572 Y N 3.725 124.061 120.300 0.060 0.000 2.323 572 Y HA 0.357 4.890 4.550 -0.029 0.000 0.331 572 Y C -1.320 174.537 175.900 -0.072 0.000 1.092 572 Y CA -1.265 56.706 58.100 -0.215 0.000 1.150 572 Y CB 1.240 39.181 38.460 -0.864 0.000 1.200 572 Y HN 0.480 nan 8.280 nan 0.000 0.472 573 P HA 0.077 nan 4.420 nan 0.000 0.282 573 P C 0.539 177.688 177.300 -0.253 0.000 1.327 573 P CA 0.403 62.931 63.100 -0.954 0.000 0.949 573 P CB 0.188 31.015 31.700 -1.455 0.000 1.445 574 H N 2.152 121.147 119.070 -0.125 0.000 2.252 574 H HA -0.159 4.377 4.556 -0.033 0.000 0.292 574 H C 1.209 176.536 175.328 -0.002 0.000 1.082 574 H CA 2.525 58.544 56.048 -0.047 0.000 1.229 574 H CB -0.228 29.525 29.762 -0.015 0.000 1.353 574 H HN -0.094 nan 8.280 nan 0.000 0.488 575 D N -0.288 120.211 120.400 0.164 0.000 2.378 575 D HA -0.077 4.546 4.640 -0.029 0.000 0.222 575 D C -0.355 175.875 176.300 -0.116 0.000 0.980 575 D CA 0.534 54.559 54.000 0.042 0.000 0.907 575 D CB -0.215 40.638 40.800 0.089 0.000 0.899 575 D HN 0.225 nan 8.370 nan 0.000 0.527 576 F N 0.924 120.782 119.950 -0.153 0.000 2.405 576 F HA 0.201 4.713 4.527 -0.024 0.000 0.355 576 F C 0.803 176.530 175.800 -0.122 0.000 1.121 576 F CA -1.084 56.845 58.000 -0.118 0.000 1.112 576 F CB 1.155 40.090 39.000 -0.109 0.000 1.126 576 F HN -0.311 nan 8.300 nan 0.000 0.481 577 V N -0.349 119.584 119.914 0.031 0.000 3.193 577 V HA 0.536 4.639 4.120 -0.029 0.000 0.320 577 V C -0.391 175.741 176.094 0.063 0.000 1.112 577 V CA -0.985 61.320 62.300 0.008 0.000 1.026 577 V CB 1.832 33.629 31.823 -0.044 0.000 1.128 577 V HN 0.658 nan 8.190 nan 0.000 0.452 578 D N -0.511 119.915 120.400 0.043 0.000 2.210 578 D HA 0.180 4.803 4.640 -0.029 0.000 0.249 578 D C 0.942 177.267 176.300 0.042 0.000 1.062 578 D CA -0.237 53.799 54.000 0.060 0.000 0.891 578 D CB 2.012 42.840 40.800 0.045 0.000 1.186 578 D HN 0.729 nan 8.370 nan 0.000 0.432 579 c N 1.739 120.371 118.600 0.053 0.000 2.395 579 c HA -0.187 4.366 4.570 -0.029 0.000 0.287 579 c C 2.647 176.745 174.090 0.013 0.000 1.281 579 c CA 1.487 57.835 56.329 0.032 0.000 1.818 579 c CB -1.504 41.028 42.510 0.036 0.000 1.990 579 c HN 0.688 nan 8.230 nan 0.000 0.516 580 S N -0.844 114.865 115.700 0.014 0.000 2.447 580 S HA -0.127 4.326 4.470 -0.029 0.000 0.233 580 S C 1.292 175.890 174.600 -0.003 0.000 1.006 580 S CA 1.697 59.900 58.200 0.005 0.000 0.957 580 S CB -0.588 62.617 63.200 0.008 0.000 0.773 580 S HN 0.646 nan 8.310 nan 0.000 0.507 581 T N 1.891 116.442 114.554 -0.006 0.000 3.163 581 T HA 0.357 4.689 4.350 -0.029 0.000 0.252 581 T C -0.030 174.654 174.700 -0.026 0.000 1.056 581 T CA -0.134 61.956 62.100 -0.017 0.000 0.947 581 T CB 0.006 68.861 68.868 -0.022 0.000 1.016 581 T HN 0.225 nan 8.240 nan 0.000 0.554 582 V N 1.875 121.775 119.914 -0.022 0.000 2.417 582 V HA 0.332 4.435 4.120 -0.029 0.000 0.291 582 V C -0.353 175.730 176.094 -0.019 0.000 1.024 582 V CA -1.570 60.712 62.300 -0.029 0.000 0.861 582 V CB 1.430 33.237 31.823 -0.027 0.000 0.985 582 V HN 0.177 nan 8.190 nan 0.000 0.436 583 D N 3.695 124.083 120.400 -0.019 0.000 2.586 583 D HA 0.072 4.694 4.640 -0.029 0.000 0.234 583 D C 0.260 176.552 176.300 -0.014 0.000 1.132 583 D CA 0.771 54.762 54.000 -0.016 0.000 0.860 583 D CB 0.550 41.339 40.800 -0.017 0.000 1.159 583 D HN 0.434 nan 8.370 nan 0.000 0.490 584 K N 1.203 121.591 120.400 -0.020 0.000 2.098 584 K HA 0.294 4.597 4.320 -0.029 0.000 0.257 584 K C -0.217 176.359 176.600 -0.039 0.000 0.999 584 K CA -1.059 55.214 56.287 -0.024 0.000 0.924 584 K CB 1.166 33.652 32.500 -0.024 0.000 1.028 584 K HN 0.243 nan 8.250 nan 0.000 0.466 585 L N 3.006 124.204 121.223 -0.043 0.000 2.363 585 L HA 0.083 4.406 4.340 -0.029 0.000 0.286 585 L C -0.552 176.274 176.870 -0.073 0.000 1.106 585 L CA 0.079 54.864 54.840 -0.091 0.000 0.859 585 L CB -0.138 41.898 42.059 -0.037 0.000 1.223 585 L HN 0.398 nan 8.230 nan 0.000 0.446 586 D N 4.302 124.674 120.400 -0.047 0.000 2.342 586 D HA 0.049 4.672 4.640 -0.029 0.000 0.260 586 D C 0.764 177.116 176.300 0.088 0.000 1.278 586 D CA 0.301 54.310 54.000 0.015 0.000 0.910 586 D CB 0.509 41.328 40.800 0.032 0.000 1.079 586 D HN 0.655 nan 8.370 nan 0.000 0.496 587 L N 3.030 124.284 121.223 0.052 0.000 2.629 587 L HA -0.005 4.318 4.340 -0.029 0.000 0.230 587 L C 2.013 179.051 176.870 0.281 0.000 1.151 587 L CA 0.074 54.977 54.840 0.105 0.000 0.924 587 L CB -0.327 41.675 42.059 -0.094 0.000 1.137 587 L HN 0.440 nan 8.230 nan 0.000 0.457 588 S N 0.221 116.044 115.700 0.206 0.000 2.382 588 S HA -0.067 4.386 4.470 -0.029 0.000 0.228 588 S C -0.552 174.166 174.600 0.197 0.000 1.027 588 S CA 0.542 58.837 58.200 0.160 0.000 0.991 588 S CB -1.498 61.756 63.200 0.089 0.000 0.823 588 S HN 0.230 nan 8.310 nan 0.000 0.469 589 P HA -0.007 nan 4.420 nan 0.000 0.236 589 P C 0.455 177.767 177.300 0.019 0.000 1.172 589 P CA 0.733 63.874 63.100 0.069 0.000 0.759 589 P CB -0.222 31.451 31.700 -0.046 0.000 0.843 590 W N -0.700 120.648 121.300 0.080 0.000 3.278 590 W HA 0.413 5.055 4.660 -0.030 0.000 0.308 590 W C 0.644 177.182 176.519 0.032 0.000 1.253 590 W CA -0.497 56.925 57.345 0.128 0.000 1.759 590 W CB 0.064 29.628 29.460 0.173 0.000 1.093 590 W HN -0.137 nan 8.180 nan 0.000 0.648 591 A N 1.001 123.912 122.820 0.151 0.000 2.425 591 A HA 0.356 4.659 4.320 -0.029 0.000 0.242 591 A C 0.057 177.637 177.584 -0.006 0.000 1.077 591 A CA 0.522 52.569 52.037 0.016 0.000 0.781 591 A CB 0.684 19.696 19.000 0.021 0.000 1.020 591 A HN -0.025 nan 8.150 nan 0.000 0.494 592 S N 0.058 115.723 115.700 -0.059 0.000 2.572 592 S HA 0.600 5.052 4.470 -0.029 0.000 0.274 592 S C -0.844 173.777 174.600 0.035 0.000 1.150 592 S CA -0.667 57.544 58.200 0.017 0.000 0.944 592 S CB 0.785 64.017 63.200 0.052 0.000 1.071 592 S HN 0.703 nan 8.310 nan 0.000 0.479 593 R N 2.611 123.125 120.500 0.022 0.000 2.513 593 R HA 0.335 4.658 4.340 -0.029 0.000 0.301 593 R C 0.136 176.434 176.300 -0.003 0.000 0.968 593 R CA -0.645 55.439 56.100 -0.027 0.000 0.872 593 R CB 1.586 31.867 30.300 -0.033 0.000 1.177 593 R HN 0.604 nan 8.270 nan 0.000 0.444 594 E N 1.219 121.398 120.200 -0.035 0.000 2.015 594 E HA -0.105 4.228 4.350 -0.029 0.000 0.191 594 E C 0.371 176.973 176.600 0.003 0.000 0.991 594 E CA 0.744 57.144 56.400 -0.001 0.000 0.802 594 E CB -0.033 29.653 29.700 -0.023 0.000 0.759 594 E HN 0.432 nan 8.360 nan 0.000 0.447 595 N N 0.000 118.692 118.700 -0.014 0.000 1.763 595 N HA 0.000 4.723 4.740 -0.029 0.000 0.220 595 N CA 0.000 53.046 53.050 -0.007 0.000 0.885 595 N CB 0.000 38.479 38.487 -0.014 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667