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 1qon_1_A DATA FIRST_RESID 1 DATA SEQUENCE VIDRLVVQTS SGPVRGRSVT VQGREVHVYT GIPYAKPPVE DLRFRKPVPA DATA SEQUENCE EPWHGVLDAT GLSATcVQER YEYFPGFSGE EIWNPNTNVS EDcLYINVWA DATA SEQUENCE PAXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXNTTNG LPILIWIYGG DATA SEQUENCE GFMTGSATLD IYNADIMAAV GNVIVASFQY RVGAFGFLHL APEMPSEFAE DATA SEQUENCE EAPGNVGLWD QALAIRWLKD NAHAFGGNPE WMTLFGESAG SSSVNAQLMS DATA SEQUENCE PVTRGLVKRG MMQSGTMNAP WSHMTSEKAV EIGKALINDC NcNASMLKTN DATA SEQUENCE PAHVMScMRS VDAKTISVQQ WNSYSGILSF PSAPTIDGAF LPADPMTLMK DATA SEQUENCE TADLKDYDIL MGNVRDEGTY FLLYDFIDYF DKDDATALPR DKYLEIMNNI DATA SEQUENCE FGKATQAERE AIIFQYTSWE GNPGYQNQQQ IGRAVGDHFF TcPTNEYAQA DATA SEQUENCE LAERGASVHY YYFTHRTSTS LWGEWMGVLH GDEIEYFFGQ PLNNSLQYRP DATA SEQUENCE VERELGKRML SAVIEFAKTG NPAQDGEEWP NFSKEDPVYY IFSTDDKIEK DATA SEQUENCE LARGPLAARc SFWNDYLPKV RSW 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 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.105 176.094 0.018 0.000 1.182 1 V CA 0.000 62.315 62.300 0.024 0.000 1.235 1 V CB 0.000 31.841 31.823 0.031 0.000 1.184 2 I N 1.458 122.038 120.570 0.017 0.000 5.866 2 I HA -0.045 4.125 4.170 -0.000 0.000 0.126 2 I C -0.970 175.153 176.117 0.010 0.000 1.818 2 I CA 0.728 62.036 61.300 0.013 0.000 2.037 2 I CB -1.178 36.828 38.000 0.010 0.000 3.403 2 I HN 0.619 nan 8.210 nan 0.000 0.169 3 D N 2.528 122.935 120.400 0.012 0.000 2.891 3 D HA 0.396 5.036 4.640 -0.000 0.000 0.224 3 D C 0.568 176.873 176.300 0.008 0.000 1.321 3 D CA -0.718 53.286 54.000 0.006 0.000 0.929 3 D CB 1.235 42.042 40.800 0.012 0.000 1.551 3 D HN 0.448 nan 8.370 nan 0.000 0.574 4 R N 3.017 123.515 120.500 -0.004 0.000 2.437 4 R HA 0.277 4.616 4.340 -0.000 0.000 0.257 4 R C 0.306 176.589 176.300 -0.029 0.000 0.927 4 R CA -0.129 55.975 56.100 0.007 0.000 1.078 4 R CB 0.185 30.500 30.300 0.025 0.000 1.161 4 R HN 0.332 nan 8.270 nan 0.000 0.529 5 L N 1.376 122.547 121.223 -0.087 0.000 2.628 5 L HA 0.288 4.628 4.340 -0.000 0.000 0.229 5 L C 0.028 176.899 176.870 0.003 0.000 1.137 5 L CA -0.291 54.420 54.840 -0.215 0.000 0.909 5 L CB 0.991 42.880 42.059 -0.283 0.000 1.137 5 L HN -0.065 nan 8.230 nan 0.000 0.470 6 V N 0.331 120.281 119.914 0.060 0.000 2.686 6 V HA 0.309 4.429 4.120 -0.000 0.000 0.295 6 V C -0.054 176.105 176.094 0.107 0.000 1.057 6 V CA -0.353 62.021 62.300 0.122 0.000 1.012 6 V CB 2.683 34.550 31.823 0.073 0.000 1.006 6 V HN -0.097 nan 8.190 nan 0.000 0.477 7 V N 4.024 123.982 119.914 0.074 0.000 2.876 7 V HA 0.517 4.637 4.120 -0.000 0.000 0.312 7 V C -0.820 175.212 176.094 -0.103 0.000 1.085 7 V CA -0.569 61.651 62.300 -0.132 0.000 0.945 7 V CB 2.295 33.804 31.823 -0.524 0.000 1.017 7 V HN 0.838 nan 8.190 nan 0.000 0.428 8 Q N 3.894 123.605 119.800 -0.148 0.000 2.503 8 Q HA 0.332 4.672 4.340 -0.000 0.000 0.227 8 Q C 0.065 175.981 176.000 -0.140 0.000 1.109 8 Q CA -0.038 55.707 55.803 -0.097 0.000 0.922 8 Q CB 0.971 29.660 28.738 -0.081 0.000 1.249 8 Q HN 1.025 nan 8.270 nan 0.000 0.530 9 T N -1.963 112.551 114.554 -0.067 0.000 2.899 9 T HA 0.153 4.503 4.350 -0.000 0.000 0.284 9 T C 1.469 176.090 174.700 -0.132 0.000 1.004 9 T CA -0.013 62.056 62.100 -0.052 0.000 1.043 9 T CB 1.054 70.108 68.868 0.310 0.000 1.013 9 T HN 0.443 nan 8.240 nan 0.000 0.518 10 S N 1.234 116.805 115.700 -0.214 0.000 2.461 10 S HA -0.120 4.350 4.470 -0.000 0.000 0.246 10 S C 1.409 175.878 174.600 -0.218 0.000 1.007 10 S CA 1.089 59.161 58.200 -0.214 0.000 0.976 10 S CB -0.730 62.308 63.200 -0.270 0.000 0.763 10 S HN 0.674 nan 8.310 nan 0.000 0.508 11 S N 0.722 116.265 115.700 -0.261 0.000 2.664 11 S HA 0.645 5.115 4.470 -0.000 0.000 0.245 11 S C 0.497 174.319 174.600 -1.296 0.000 1.019 11 S CA -0.130 57.704 58.200 -0.610 0.000 0.996 11 S CB 0.515 63.406 63.200 -0.516 0.000 0.878 11 S HN 1.133 nan 8.310 nan 0.000 0.493 12 G N 2.556 110.930 108.800 -0.710 0.000 2.371 12 G HA2 0.033 3.992 3.960 -0.000 0.000 0.663 12 G HA3 0.033 3.992 3.960 -0.000 0.000 0.663 12 G C -3.637 171.258 174.900 -0.009 0.000 1.311 12 G CA -1.138 43.589 45.100 -0.621 0.000 0.985 12 G HN -0.012 nan 8.290 nan 0.000 0.566 13 P HA 0.586 nan 4.420 nan 0.000 0.285 13 P C -0.635 176.901 177.300 0.393 0.000 1.259 13 P CA -0.316 62.929 63.100 0.243 0.000 0.794 13 P CB 1.911 33.706 31.700 0.158 0.000 0.940 14 V N 4.375 124.467 119.914 0.296 0.000 2.709 14 V HA 0.515 4.635 4.120 -0.000 0.000 0.308 14 V C 0.230 176.506 176.094 0.305 0.000 1.062 14 V CA -0.794 61.696 62.300 0.316 0.000 0.901 14 V CB 2.200 34.270 31.823 0.412 0.000 1.003 14 V HN 0.605 nan 8.190 nan 0.000 0.425 15 R N 2.481 123.120 120.500 0.231 0.000 2.439 15 R HA 0.818 5.158 4.340 -0.000 0.000 0.310 15 R C 0.148 176.460 176.300 0.020 0.000 0.955 15 R CA -0.470 55.715 56.100 0.142 0.000 0.853 15 R CB 1.886 32.212 30.300 0.043 0.000 1.171 15 R HN 0.732 nan 8.270 nan 0.000 0.449 16 G N 2.704 111.356 108.800 -0.247 0.000 3.182 16 G HA2 0.473 4.433 3.960 -0.000 0.000 0.167 16 G HA3 0.473 4.433 3.960 -0.000 0.000 0.167 16 G C -0.702 173.983 174.900 -0.359 0.000 1.537 16 G CA -0.958 43.834 45.100 -0.514 0.000 1.046 16 G HN 0.688 nan 8.290 nan 0.000 0.580 17 R N -1.336 118.935 120.500 -0.381 0.000 2.604 17 R HA 0.582 4.922 4.340 -0.000 0.000 0.270 17 R C -1.336 174.872 176.300 -0.153 0.000 1.052 17 R CA -0.567 55.402 56.100 -0.219 0.000 0.902 17 R CB 1.347 31.560 30.300 -0.145 0.000 1.233 17 R HN 0.435 nan 8.270 nan 0.000 0.455 18 S N 1.329 116.990 115.700 -0.064 0.000 2.565 18 S HA 0.550 5.020 4.470 -0.000 0.000 0.274 18 S C -0.351 174.289 174.600 0.066 0.000 1.309 18 S CA -0.371 57.889 58.200 0.101 0.000 1.043 18 S CB 0.982 64.268 63.200 0.143 0.000 0.939 18 S HN 0.383 nan 8.310 nan 0.000 0.504 19 V N 3.243 123.215 119.914 0.096 0.000 3.007 19 V HA 0.546 4.666 4.120 -0.000 0.000 0.311 19 V C -0.408 175.721 176.094 0.059 0.000 1.120 19 V CA -0.764 61.575 62.300 0.065 0.000 0.980 19 V CB 2.559 34.428 31.823 0.077 0.000 1.033 19 V HN 0.901 nan 8.190 nan 0.000 0.429 20 T N 3.219 117.796 114.554 0.038 0.000 2.815 20 T HA 0.673 5.023 4.350 -0.000 0.000 0.289 20 T C -0.776 173.934 174.700 0.017 0.000 1.000 20 T CA -0.405 61.711 62.100 0.026 0.000 0.958 20 T CB 1.174 70.053 68.868 0.019 0.000 0.944 20 T HN 0.817 nan 8.240 nan 0.000 0.442 21 V N 1.525 121.448 119.914 0.014 0.000 2.888 21 V HA 0.596 4.715 4.120 -0.000 0.000 0.309 21 V C -0.249 175.840 176.094 -0.008 0.000 1.114 21 V CA -1.246 61.054 62.300 0.000 0.000 0.940 21 V CB 2.003 33.827 31.823 0.001 0.000 1.021 21 V HN 0.685 nan 8.190 nan 0.000 0.426 22 Q N 1.871 121.661 119.800 -0.017 0.000 2.435 22 Q HA -0.220 4.120 4.340 -0.000 0.000 0.286 22 Q C 1.189 177.182 176.000 -0.013 0.000 1.229 22 Q CA 1.529 57.320 55.803 -0.021 0.000 0.884 22 Q CB -1.839 26.881 28.738 -0.030 0.000 1.245 22 Q HN 2.542 nan 8.270 nan 0.000 0.488 23 G N 0.314 109.109 108.800 -0.007 0.000 2.366 23 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.299 23 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.299 23 G C -0.141 174.758 174.900 -0.001 0.000 1.020 23 G CA 0.774 45.873 45.100 -0.003 0.000 1.026 23 G HN 0.215 nan 8.290 nan 0.000 0.512 24 R N -0.509 119.993 120.500 0.002 0.000 2.584 24 R HA 0.365 4.705 4.340 -0.000 0.000 0.276 24 R C -0.635 175.670 176.300 0.009 0.000 1.046 24 R CA -0.840 55.261 56.100 0.003 0.000 0.906 24 R CB 1.566 31.867 30.300 0.000 0.000 1.215 24 R HN 0.483 nan 8.270 nan 0.000 0.449 25 E N 2.260 122.459 120.200 -0.001 0.000 2.167 25 E HA 0.368 4.718 4.350 -0.000 0.000 0.284 25 E C -1.056 175.527 176.600 -0.028 0.000 1.016 25 E CA -0.474 55.924 56.400 -0.004 0.000 0.817 25 E CB 1.189 30.876 29.700 -0.020 0.000 1.080 25 E HN 0.167 nan 8.360 nan 0.000 0.397 26 V N 5.216 125.150 119.914 0.034 0.000 2.531 26 V HA 0.203 4.323 4.120 -0.000 0.000 0.301 26 V C -0.803 175.392 176.094 0.168 0.000 1.034 26 V CA -0.687 61.663 62.300 0.084 0.000 0.865 26 V CB 1.711 33.635 31.823 0.167 0.000 0.995 26 V HN 0.763 nan 8.190 nan 0.000 0.424 27 H N 3.063 122.206 119.070 0.123 0.000 2.652 27 H HA 0.449 5.005 4.556 -0.000 0.000 0.298 27 H C -0.577 174.710 175.328 -0.068 0.000 1.076 27 H CA -0.648 55.401 56.048 0.001 0.000 1.360 27 H CB 1.550 31.385 29.762 0.123 0.000 1.421 27 H HN 0.408 nan 8.280 nan 0.000 0.464 28 V N 5.996 125.809 119.914 -0.168 0.000 2.311 28 V HA 0.069 4.188 4.120 -0.000 0.000 0.275 28 V C -0.783 175.036 176.094 -0.458 0.000 1.022 28 V CA -0.677 61.434 62.300 -0.314 0.000 0.830 28 V CB -0.343 31.330 31.823 -0.250 0.000 1.012 28 V HN 0.636 nan 8.190 nan 0.000 0.452 29 Y N 2.932 123.101 120.300 -0.220 0.000 2.385 29 Y HA 0.576 5.125 4.550 -0.000 0.000 0.341 29 Y C 0.910 176.646 175.900 -0.273 0.000 0.965 29 Y CA -0.855 57.166 58.100 -0.132 0.000 1.180 29 Y CB 1.324 39.833 38.460 0.081 0.000 1.139 29 Y HN 0.643 nan 8.280 nan 0.000 0.502 30 T N -0.972 113.509 114.554 -0.121 0.000 2.841 30 T HA 0.619 4.969 4.350 -0.000 0.000 0.283 30 T C 0.684 175.324 174.700 -0.100 0.000 1.000 30 T CA -0.526 61.481 62.100 -0.155 0.000 0.977 30 T CB 1.598 70.351 68.868 -0.191 0.000 0.979 30 T HN 1.070 nan 8.240 nan 0.000 0.446 31 G N 2.317 111.074 108.800 -0.073 0.000 2.134 31 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.209 31 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.209 31 G C -0.019 174.885 174.900 0.006 0.000 0.993 31 G CA -0.411 44.609 45.100 -0.134 0.000 0.669 31 G HN 0.931 nan 8.290 nan 0.000 0.519 32 I N 2.974 123.576 120.570 0.053 0.000 2.471 32 I HA 0.229 4.399 4.170 -0.000 0.000 0.286 32 I C -1.377 174.778 176.117 0.064 0.000 1.079 32 I CA -1.882 59.421 61.300 0.006 0.000 1.398 32 I CB 0.963 38.918 38.000 -0.075 0.000 1.403 32 I HN -0.027 nan 8.210 nan 0.000 0.530 33 P HA 0.024 nan 4.420 nan 0.000 0.280 33 P C -0.737 176.479 177.300 -0.139 0.000 1.244 33 P CA 0.056 63.060 63.100 -0.160 0.000 0.784 33 P CB 0.597 32.206 31.700 -0.152 0.000 0.913 34 Y N 1.655 121.757 120.300 -0.329 0.000 2.500 34 Y HA 0.739 5.289 4.550 -0.000 0.000 0.246 34 Y C -0.110 175.734 175.900 -0.092 0.000 1.146 34 Y CA -0.794 57.103 58.100 -0.337 0.000 1.230 34 Y CB 0.210 38.401 38.460 -0.449 0.000 1.214 34 Y HN 0.532 nan 8.280 nan 0.000 0.526 35 A N 0.395 122.976 122.820 -0.398 0.000 2.566 35 A HA 0.490 4.810 4.320 -0.000 0.000 0.290 35 A C -1.370 176.058 177.584 -0.259 0.000 1.071 35 A CA -1.333 50.533 52.037 -0.286 0.000 0.658 35 A CB 0.882 19.629 19.000 -0.422 0.000 1.285 35 A HN 0.148 nan 8.150 nan 0.000 0.427 36 K N 0.822 121.134 120.400 -0.145 0.000 2.326 36 K HA 0.379 4.699 4.320 -0.000 0.000 0.275 36 K C -2.517 173.981 176.600 -0.170 0.000 1.018 36 K CA -1.273 54.947 56.287 -0.113 0.000 0.962 36 K CB 0.189 32.657 32.500 -0.053 0.000 0.953 36 K HN 0.325 nan 8.250 nan 0.000 0.475 37 P HA -0.041 nan 4.420 nan 0.000 0.261 37 P C -2.247 174.981 177.300 -0.120 0.000 1.183 37 P CA -0.764 62.242 63.100 -0.156 0.000 0.761 37 P CB 0.047 31.692 31.700 -0.092 0.000 0.785 38 P HA 0.010 nan 4.420 nan 0.000 0.228 38 P C -0.496 176.746 177.300 -0.097 0.000 1.748 38 P CA 0.310 63.351 63.100 -0.098 0.000 0.909 38 P CB 0.017 31.665 31.700 -0.086 0.000 1.882 39 V N 0.201 120.065 119.914 -0.084 0.000 2.716 39 V HA 0.151 4.271 4.120 -0.000 0.000 0.304 39 V C 1.475 177.530 176.094 -0.064 0.000 1.053 39 V CA -0.351 61.904 62.300 -0.074 0.000 0.984 39 V CB 0.817 32.607 31.823 -0.056 0.000 1.021 39 V HN 0.337 nan 8.190 nan 0.000 0.467 40 E N 1.166 121.328 120.200 -0.063 0.000 3.317 40 E HA -0.389 3.961 4.350 -0.000 0.000 0.436 40 E C 1.166 177.737 176.600 -0.049 0.000 1.571 40 E CA 1.899 58.270 56.400 -0.047 0.000 1.219 40 E CB -0.833 28.852 29.700 -0.024 0.000 1.424 40 E HN 1.008 nan 8.360 nan 0.000 0.457 41 D N 0.440 120.825 120.400 -0.024 0.000 2.264 41 D HA -0.066 4.574 4.640 -0.000 0.000 0.208 41 D C 1.702 177.992 176.300 -0.016 0.000 0.966 41 D CA 1.019 55.015 54.000 -0.008 0.000 0.864 41 D CB -0.007 40.795 40.800 0.003 0.000 0.933 41 D HN 0.273 nan 8.370 nan 0.000 0.499 42 L N -0.228 120.971 121.223 -0.040 0.000 2.592 42 L HA 0.185 4.525 4.340 -0.000 0.000 0.227 42 L C 1.201 178.027 176.870 -0.074 0.000 1.127 42 L CA -0.357 54.456 54.840 -0.045 0.000 0.884 42 L CB -0.075 41.954 42.059 -0.050 0.000 1.065 42 L HN -0.075 nan 8.230 nan 0.000 0.457 43 R N 0.273 120.687 120.500 -0.144 0.000 2.590 43 R HA -0.033 4.307 4.340 -0.000 0.000 0.274 43 R C 0.278 176.417 176.300 -0.269 0.000 1.061 43 R CA 0.097 55.995 56.100 -0.336 0.000 1.081 43 R CB 0.297 30.238 30.300 -0.598 0.000 0.984 43 R HN 0.070 nan 8.270 nan 0.000 0.448 44 F N -0.645 119.339 119.950 0.058 0.000 2.732 44 F HA -0.331 4.196 4.527 -0.000 0.000 0.443 44 F C 0.386 176.185 175.800 -0.000 0.000 0.572 44 F CA 1.205 59.219 58.000 0.024 0.000 1.050 44 F CB -1.450 37.554 39.000 0.007 0.000 1.665 44 F HN 0.628 nan 8.300 nan 0.000 0.278 45 R N 0.938 121.507 120.500 0.116 0.000 2.549 45 R HA 0.501 4.841 4.340 -0.000 0.000 0.267 45 R C 0.437 176.722 176.300 -0.025 0.000 1.045 45 R CA -1.011 55.109 56.100 0.034 0.000 1.115 45 R CB 0.725 31.029 30.300 0.008 0.000 1.121 45 R HN 0.053 nan 8.270 nan 0.000 0.543 46 K N 2.638 122.969 120.400 -0.114 0.000 2.436 46 K HA 0.068 4.388 4.320 -0.000 0.000 0.275 46 K C -1.956 174.594 176.600 -0.082 0.000 0.999 46 K CA -1.002 55.175 56.287 -0.183 0.000 0.980 46 K CB 0.148 32.390 32.500 -0.429 0.000 0.919 46 K HN 0.381 nan 8.250 nan 0.000 0.484 47 P HA 0.004 nan 4.420 nan 0.000 0.272 47 P C -0.727 176.566 177.300 -0.011 0.000 1.223 47 P CA -0.329 62.763 63.100 -0.014 0.000 0.784 47 P CB 0.764 32.480 31.700 0.025 0.000 0.923 48 V N -1.481 118.417 119.914 -0.026 0.000 2.555 48 V HA 0.498 4.618 4.120 -0.000 0.000 0.302 48 V C -2.722 173.380 176.094 0.013 0.000 1.038 48 V CA -3.321 58.977 62.300 -0.004 0.000 0.887 48 V CB 1.065 32.880 31.823 -0.013 0.000 0.991 48 V HN 0.310 nan 8.190 nan 0.000 0.434 49 P HA 0.142 nan 4.420 nan 0.000 0.264 49 P C 0.087 177.434 177.300 0.079 0.000 1.179 49 P CA 0.782 63.944 63.100 0.104 0.000 0.763 49 P CB 0.357 32.127 31.700 0.116 0.000 0.806 50 A N 3.057 125.944 122.820 0.111 0.000 2.386 50 A HA 0.134 4.454 4.320 -0.000 0.000 0.248 50 A C 0.137 177.812 177.584 0.153 0.000 1.082 50 A CA -0.314 51.798 52.037 0.124 0.000 0.789 50 A CB -0.113 19.001 19.000 0.190 0.000 1.025 50 A HN 0.547 nan 8.150 nan 0.000 0.490 51 E N 2.439 122.731 120.200 0.154 0.000 2.360 51 E HA 0.253 4.603 4.350 -0.000 0.000 0.269 51 E C -2.062 174.648 176.600 0.184 0.000 1.022 51 E CA -1.411 55.071 56.400 0.137 0.000 0.887 51 E CB 0.271 30.050 29.700 0.131 0.000 0.990 51 E HN 0.527 nan 8.360 nan 0.000 0.426 52 P HA -0.038 nan 4.420 nan 0.000 0.269 52 P C -1.104 176.223 177.300 0.046 0.000 1.215 52 P CA -0.034 62.971 63.100 -0.160 0.000 0.780 52 P CB 0.339 31.930 31.700 -0.181 0.000 0.898 53 W N 1.238 122.569 121.300 0.051 0.000 2.762 53 W HA 0.436 5.096 4.660 -0.000 0.000 0.355 53 W C 1.542 178.044 176.519 -0.028 0.000 1.124 53 W CA -0.689 56.652 57.345 -0.005 0.000 1.141 53 W CB -0.521 28.832 29.460 -0.179 0.000 1.432 53 W HN 0.431 nan 8.180 nan 0.000 0.586 54 H N 0.293 119.551 119.070 0.313 0.000 2.343 54 H HA 0.255 4.811 4.556 -0.000 0.000 0.307 54 H C 0.832 176.286 175.328 0.210 0.000 1.045 54 H CA 1.013 57.174 56.048 0.189 0.000 1.281 54 H CB -1.286 28.562 29.762 0.143 0.000 1.425 54 H HN 0.564 nan 8.280 nan 0.000 0.540 55 G N 0.874 109.735 108.800 0.101 0.000 2.531 55 G HA2 0.409 4.369 3.960 -0.000 0.000 0.313 55 G HA3 0.409 4.369 3.960 -0.000 0.000 0.313 55 G C -0.081 174.874 174.900 0.092 0.000 1.238 55 G CA -0.099 45.081 45.100 0.132 0.000 0.994 55 G HN 0.577 nan 8.290 nan 0.000 0.493 56 V N -1.245 118.727 119.914 0.097 0.000 2.726 56 V HA 0.142 4.262 4.120 -0.000 0.000 0.304 56 V C 0.294 176.389 176.094 0.001 0.000 1.115 56 V CA -0.160 62.190 62.300 0.085 0.000 1.264 56 V CB -0.026 31.834 31.823 0.062 0.000 0.867 56 V HN 0.595 nan 8.190 nan 0.000 0.498 57 L N 3.861 125.070 121.223 -0.024 0.000 2.289 57 L HA 0.471 4.811 4.340 -0.000 0.000 0.285 57 L C 0.448 177.258 176.870 -0.101 0.000 1.049 57 L CA -0.537 54.180 54.840 -0.205 0.000 0.804 57 L CB 1.276 43.043 42.059 -0.486 0.000 1.195 57 L HN 0.903 nan 8.230 nan 0.000 0.428 58 D N 4.820 125.148 120.400 -0.120 0.000 2.422 58 D HA 0.068 4.707 4.640 -0.000 0.000 0.263 58 D C 0.045 176.288 176.300 -0.094 0.000 1.334 58 D CA 0.202 54.148 54.000 -0.090 0.000 1.105 58 D CB 0.619 41.362 40.800 -0.095 0.000 1.107 58 D HN 0.530 nan 8.370 nan 0.000 0.522 59 A N 3.246 126.039 122.820 -0.044 0.000 3.175 59 A HA 0.373 4.693 4.320 -0.000 0.000 0.289 59 A C 1.159 178.694 177.584 -0.082 0.000 1.429 59 A CA -0.184 51.839 52.037 -0.024 0.000 1.155 59 A CB -0.200 18.882 19.000 0.137 0.000 1.169 59 A HN 0.507 nan 8.150 nan 0.000 0.574 60 T N -3.182 111.307 114.554 -0.108 0.000 3.029 60 T HA 0.323 4.673 4.350 -0.000 0.000 0.256 60 T C 0.895 175.525 174.700 -0.117 0.000 0.914 60 T CA 0.673 62.699 62.100 -0.123 0.000 0.880 60 T CB -0.169 68.634 68.868 -0.109 0.000 1.246 60 T HN 0.694 nan 8.240 nan 0.000 0.523 61 G N 1.906 110.633 108.800 -0.121 0.000 2.400 61 G HA2 0.639 4.599 3.960 -0.000 0.000 0.301 61 G HA3 0.639 4.599 3.960 -0.000 0.000 0.301 61 G C -0.444 174.372 174.900 -0.140 0.000 1.154 61 G CA -0.896 44.130 45.100 -0.124 0.000 0.852 61 G HN 0.476 nan 8.290 nan 0.000 0.511 62 L N 1.608 122.758 121.223 -0.121 0.000 2.416 62 L HA 0.227 4.567 4.340 -0.000 0.000 0.272 62 L C 1.343 178.115 176.870 -0.164 0.000 1.161 62 L CA -0.465 54.308 54.840 -0.112 0.000 0.845 62 L CB 0.949 42.961 42.059 -0.079 0.000 1.119 62 L HN 0.670 nan 8.230 nan 0.000 0.464 63 S N 2.485 118.076 115.700 -0.182 0.000 2.632 63 S HA 0.589 5.059 4.470 -0.000 0.000 0.267 63 S C 0.209 174.709 174.600 -0.166 0.000 1.276 63 S CA -0.696 57.316 58.200 -0.313 0.000 0.998 63 S CB 1.429 64.390 63.200 -0.398 0.000 0.953 63 S HN 0.709 nan 8.310 nan 0.000 0.547 64 A N 1.398 124.116 122.820 -0.170 0.000 2.448 64 A HA 0.498 4.818 4.320 -0.000 0.000 0.239 64 A C 0.902 178.482 177.584 -0.007 0.000 1.080 64 A CA 0.147 52.142 52.037 -0.069 0.000 0.779 64 A CB -0.602 18.372 19.000 -0.043 0.000 1.026 64 A HN 1.327 nan 8.150 nan 0.000 0.499 65 T N -0.977 113.560 114.554 -0.029 0.000 2.907 65 T HA 0.452 4.802 4.350 -0.000 0.000 0.284 65 T C 0.151 174.828 174.700 -0.037 0.000 1.004 65 T CA -0.729 61.353 62.100 -0.031 0.000 1.063 65 T CB 0.318 69.145 68.868 -0.067 0.000 0.992 65 T HN 0.701 nan 8.240 nan 0.000 0.483 66 c N 2.684 121.265 118.600 -0.032 0.000 2.703 66 c HA 0.287 4.857 4.570 -0.000 0.000 0.411 66 c C 1.014 175.019 174.090 -0.141 0.000 1.290 66 c CA -0.933 55.346 56.329 -0.085 0.000 2.054 66 c CB -0.456 42.032 42.510 -0.037 0.000 2.732 66 c HN 0.796 nan 8.230 nan 0.000 0.650 67 V N 4.449 124.167 119.914 -0.327 0.000 2.557 67 V HA 0.172 4.292 4.120 -0.000 0.000 0.301 67 V C 0.406 176.459 176.094 -0.069 0.000 1.026 67 V CA 0.895 62.997 62.300 -0.330 0.000 1.137 67 V CB -0.586 30.746 31.823 -0.819 0.000 0.917 67 V HN 1.046 nan 8.190 nan 0.000 0.484 68 Q N 3.386 123.231 119.800 0.074 0.000 2.756 68 Q HA 0.524 4.864 4.340 -0.000 0.000 0.295 68 Q C -1.653 174.449 176.000 0.171 0.000 0.903 68 Q CA -1.100 54.823 55.803 0.201 0.000 0.768 68 Q CB 1.802 30.645 28.738 0.175 0.000 1.472 68 Q HN 0.473 nan 8.270 nan 0.000 0.416 69 E N 1.290 121.619 120.200 0.214 0.000 2.231 69 E HA 0.409 4.759 4.350 -0.000 0.000 0.277 69 E C -0.743 175.817 176.600 -0.067 0.000 0.999 69 E CA -0.654 55.777 56.400 0.052 0.000 0.827 69 E CB 1.608 31.304 29.700 -0.008 0.000 1.101 69 E HN 0.385 nan 8.360 nan 0.000 0.393 70 R N 1.602 122.057 120.500 -0.076 0.000 2.490 70 R HA 0.238 4.578 4.340 -0.000 0.000 0.278 70 R C -0.502 175.728 176.300 -0.117 0.000 1.069 70 R CA -0.332 55.756 56.100 -0.020 0.000 1.080 70 R CB 0.513 30.822 30.300 0.014 0.000 1.030 70 R HN 0.403 nan 8.270 nan 0.000 0.491 71 Y N 0.872 121.220 120.300 0.080 0.000 2.404 71 Y HA 0.108 4.658 4.550 -0.000 0.000 0.344 71 Y C 0.545 176.566 175.900 0.202 0.000 0.970 71 Y CA -0.171 58.036 58.100 0.179 0.000 1.180 71 Y CB 1.321 39.981 38.460 0.333 0.000 1.138 71 Y HN 0.569 nan 8.280 nan 0.000 0.510 72 E N 1.872 122.151 120.200 0.132 0.000 2.736 72 E HA 0.164 4.514 4.350 -0.000 0.000 0.208 72 E C 0.207 176.830 176.600 0.038 0.000 0.996 72 E CA -0.003 56.455 56.400 0.096 0.000 1.104 72 E CB -0.173 29.511 29.700 -0.028 0.000 1.111 72 E HN 0.680 nan 8.360 nan 0.000 0.455 73 Y N -0.771 119.642 120.300 0.188 0.000 2.333 73 Y HA -0.070 4.480 4.550 -0.000 0.000 0.290 73 Y C 0.347 175.961 175.900 -0.476 0.000 1.144 73 Y CA 0.879 58.899 58.100 -0.133 0.000 1.228 73 Y CB 0.147 38.507 38.460 -0.167 0.000 0.985 73 Y HN 0.090 nan 8.280 nan 0.000 0.542 74 F N -0.098 120.030 119.950 0.296 0.000 2.531 74 F HA 0.385 4.912 4.527 -0.000 0.000 0.333 74 F C -2.527 173.389 175.800 0.194 0.000 1.292 74 F CA -3.266 54.871 58.000 0.230 0.000 1.184 74 F CB 0.285 39.488 39.000 0.339 0.000 1.426 74 F HN -0.283 nan 8.300 nan 0.000 0.559 75 P HA 0.066 nan 4.420 nan 0.000 0.255 75 P C 0.982 178.367 177.300 0.141 0.000 1.161 75 P CA 1.409 64.582 63.100 0.122 0.000 0.768 75 P CB 0.392 32.118 31.700 0.043 0.000 0.746 76 G N 2.647 111.523 108.800 0.126 0.000 2.179 76 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.260 76 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.260 76 G C -0.063 174.933 174.900 0.160 0.000 0.977 76 G CA -0.475 44.686 45.100 0.102 0.000 0.641 76 G HN 0.536 nan 8.290 nan 0.000 0.533 77 F N 3.043 123.006 119.950 0.021 0.000 2.424 77 F HA 0.564 5.091 4.527 -0.000 0.000 0.356 77 F C 1.546 177.287 175.800 -0.098 0.000 1.110 77 F CA -0.805 57.161 58.000 -0.056 0.000 1.161 77 F CB 1.196 40.164 39.000 -0.054 0.000 1.115 77 F HN 0.242 nan 8.300 nan 0.000 0.507 78 S N 3.166 118.626 115.700 -0.401 0.000 2.442 78 S HA -0.081 4.389 4.470 -0.000 0.000 0.236 78 S C 2.057 176.128 174.600 -0.881 0.000 1.007 78 S CA 0.853 58.741 58.200 -0.521 0.000 0.965 78 S CB -1.003 62.001 63.200 -0.328 0.000 0.773 78 S HN 0.801 nan 8.310 nan 0.000 0.504 79 G N 1.541 109.155 108.800 -1.977 0.000 2.414 79 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.215 79 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.215 79 G C 1.368 175.937 174.900 -0.552 0.000 1.188 79 G CA 0.788 44.949 45.100 -1.566 0.000 0.783 79 G HN 0.641 nan 8.290 nan 0.000 0.537 80 E N -0.048 119.851 120.200 -0.501 0.000 2.107 80 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 80 E C 2.288 178.965 176.600 0.128 0.000 0.982 80 E CA 0.653 57.169 56.400 0.193 0.000 0.809 80 E CB -0.034 29.948 29.700 0.469 0.000 0.756 80 E HN 0.252 nan 8.360 nan 0.000 0.459 81 E N 1.062 121.222 120.200 -0.067 0.000 2.110 81 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 81 E C 2.268 178.766 176.600 -0.170 0.000 0.988 81 E CA 1.180 57.538 56.400 -0.070 0.000 0.804 81 E CB -0.382 29.255 29.700 -0.105 0.000 0.745 81 E HN 0.602 nan 8.360 nan 0.000 0.458 82 I N -2.895 117.466 120.570 -0.348 0.000 2.761 82 I HA -0.174 3.996 4.170 -0.000 0.000 0.266 82 I C 1.451 177.143 176.117 -0.708 0.000 1.239 82 I CA 1.154 62.108 61.300 -0.577 0.000 1.451 82 I CB -0.653 36.874 38.000 -0.787 0.000 1.096 82 I HN 0.021 nan 8.210 nan 0.000 0.465 83 W N 0.819 122.018 121.300 -0.169 0.000 3.177 83 W HA 0.258 4.918 4.660 -0.000 0.000 0.309 83 W C 0.999 177.458 176.519 -0.100 0.000 1.224 83 W CA -0.603 56.646 57.345 -0.160 0.000 1.718 83 W CB -0.159 29.203 29.460 -0.162 0.000 1.078 83 W HN -0.042 nan 8.180 nan 0.000 0.618 84 N N 1.247 120.000 118.700 0.088 0.000 2.445 84 N HA 0.166 4.906 4.740 -0.000 0.000 0.264 84 N C -2.474 173.030 175.510 -0.011 0.000 1.227 84 N CA -1.323 51.775 53.050 0.079 0.000 0.963 84 N CB -0.041 38.495 38.487 0.082 0.000 1.188 84 N HN -0.440 nan 8.380 nan 0.000 0.491 85 P HA -0.043 nan 4.420 nan 0.000 0.259 85 P C 0.453 177.709 177.300 -0.074 0.000 1.163 85 P CA 0.533 63.604 63.100 -0.048 0.000 0.760 85 P CB 0.453 32.135 31.700 -0.030 0.000 0.762 86 N N 0.730 119.371 118.700 -0.099 0.000 2.305 86 N HA -0.016 4.724 4.740 -0.000 0.000 0.179 86 N C 0.238 175.695 175.510 -0.088 0.000 1.019 86 N CA 0.780 53.765 53.050 -0.109 0.000 0.869 86 N CB 0.397 38.806 38.487 -0.129 0.000 1.000 86 N HN 0.418 nan 8.380 nan 0.000 0.431 87 T N 0.281 114.787 114.554 -0.080 0.000 2.889 87 T HA 0.252 4.602 4.350 -0.000 0.000 0.278 87 T C -0.294 174.367 174.700 -0.065 0.000 0.995 87 T CA -0.801 61.255 62.100 -0.075 0.000 0.966 87 T CB 0.850 69.670 68.868 -0.080 0.000 1.237 87 T HN 0.011 nan 8.240 nan 0.000 0.591 88 N N 1.792 120.453 118.700 -0.065 0.000 2.492 88 N HA 0.254 4.994 4.740 -0.000 0.000 0.260 88 N C -0.117 175.361 175.510 -0.054 0.000 1.215 88 N CA -0.199 52.817 53.050 -0.056 0.000 0.923 88 N CB 0.844 39.297 38.487 -0.057 0.000 1.092 88 N HN 0.541 nan 8.380 nan 0.000 0.448 89 V N -0.434 119.451 119.914 -0.049 0.000 2.465 89 V HA 0.751 4.871 4.120 -0.000 0.000 0.279 89 V C 0.263 176.316 176.094 -0.068 0.000 1.045 89 V CA -0.553 61.712 62.300 -0.058 0.000 0.938 89 V CB 0.873 32.666 31.823 -0.050 0.000 0.986 89 V HN 0.771 nan 8.190 nan 0.000 0.467 90 S N 1.868 117.516 115.700 -0.086 0.000 2.552 90 S HA 0.430 4.900 4.470 -0.000 0.000 0.272 90 S C 0.245 174.762 174.600 -0.138 0.000 1.150 90 S CA -0.421 57.723 58.200 -0.093 0.000 0.849 90 S CB 1.781 64.951 63.200 -0.050 0.000 1.113 90 S HN 0.767 nan 8.310 nan 0.000 0.458 91 E N 0.540 120.637 120.200 -0.171 0.000 2.204 91 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 91 E C -0.155 176.372 176.600 -0.122 0.000 0.990 91 E CA 0.858 57.129 56.400 -0.215 0.000 0.821 91 E CB -0.007 29.582 29.700 -0.184 0.000 0.750 91 E HN 0.628 nan 8.360 nan 0.000 0.477 92 D N 0.392 120.758 120.400 -0.057 0.000 2.435 92 D HA -0.002 4.638 4.640 -0.000 0.000 0.230 92 D C 0.224 176.598 176.300 0.123 0.000 1.215 92 D CA -0.102 53.898 54.000 0.000 0.000 0.947 92 D CB 0.205 41.033 40.800 0.047 0.000 1.048 92 D HN 0.160 nan 8.370 nan 0.000 0.512 93 c N 2.424 121.059 118.600 0.060 0.000 4.015 93 c HA 0.327 4.897 4.570 -0.000 0.000 0.323 93 c C 0.978 175.148 174.090 0.133 0.000 1.724 93 c CA -0.573 55.884 56.329 0.213 0.000 1.828 93 c CB -1.116 41.451 42.510 0.095 0.000 3.083 93 c HN 0.446 nan 8.230 nan 0.000 0.640 94 L N 2.492 123.529 121.223 -0.310 0.000 2.449 94 L HA 0.267 4.607 4.340 -0.000 0.000 0.266 94 L C -0.917 175.503 176.870 -0.750 0.000 1.321 94 L CA 0.863 55.391 54.840 -0.521 0.000 1.194 94 L CB -1.088 40.478 42.059 -0.821 0.000 1.384 94 L HN 0.403 nan 8.230 nan 0.000 0.438 95 Y N 1.010 121.406 120.300 0.161 0.000 2.512 95 Y HA 0.551 5.101 4.550 -0.000 0.000 0.348 95 Y C 0.259 176.347 175.900 0.313 0.000 0.990 95 Y CA -0.770 57.428 58.100 0.163 0.000 1.033 95 Y CB 2.094 40.575 38.460 0.035 0.000 1.259 95 Y HN 0.132 nan 8.280 nan 0.000 0.461 96 I N 1.893 122.633 120.570 0.283 0.000 2.676 96 I HA 0.354 4.524 4.170 -0.000 0.000 0.309 96 I C -1.001 175.158 176.117 0.070 0.000 0.990 96 I CA -0.800 60.586 61.300 0.144 0.000 1.168 96 I CB 1.772 39.670 38.000 -0.170 0.000 1.343 96 I HN 0.716 nan 8.210 nan 0.000 0.482 97 N N 2.818 121.564 118.700 0.077 0.000 2.295 97 N HA 0.574 5.314 4.740 -0.000 0.000 0.293 97 N C -1.570 173.861 175.510 -0.131 0.000 1.040 97 N CA -0.510 52.465 53.050 -0.125 0.000 0.840 97 N CB 2.605 40.984 38.487 -0.179 0.000 1.468 97 N HN 0.091 nan 8.380 nan 0.000 0.478 98 V N 1.316 121.061 119.914 -0.281 0.000 2.656 98 V HA 0.460 4.580 4.120 -0.000 0.000 0.307 98 V C -0.961 175.075 176.094 -0.097 0.000 1.051 98 V CA -0.725 61.486 62.300 -0.147 0.000 0.893 98 V CB 1.947 33.442 31.823 -0.547 0.000 0.999 98 V HN 0.676 nan 8.190 nan 0.000 0.426 99 W N 3.294 124.683 121.300 0.149 0.000 2.391 99 W HA 0.729 5.389 4.660 -0.000 0.000 0.312 99 W C -0.118 176.513 176.519 0.185 0.000 1.003 99 W CA -0.508 56.945 57.345 0.180 0.000 1.375 99 W CB 1.965 31.501 29.460 0.127 0.000 1.253 99 W HN 0.654 nan 8.180 nan 0.000 0.416 100 A N 5.684 128.764 122.820 0.432 0.000 2.318 100 A HA 0.798 5.118 4.320 -0.000 0.000 0.324 100 A C -2.582 175.147 177.584 0.242 0.000 1.170 100 A CA -1.590 50.663 52.037 0.361 0.000 0.810 100 A CB 1.335 20.629 19.000 0.491 0.000 1.198 100 A HN 0.160 nan 8.150 nan 0.000 0.484 101 P HA 0.445 nan 4.420 nan 0.000 0.275 101 P C -0.170 177.106 177.300 -0.040 0.000 1.228 101 P CA 0.068 63.193 63.100 0.040 0.000 0.786 101 P CB 1.379 33.103 31.700 0.040 0.000 0.927 137 T N -3.704 110.391 114.554 -0.765 0.000 3.390 137 T HA 0.710 5.060 4.350 -0.000 0.000 0.351 137 T C -0.635 173.949 174.700 -0.192 0.000 1.759 137 T CA -0.111 61.664 62.100 -0.542 0.000 1.561 137 T CB -0.047 68.710 68.868 -0.186 0.000 1.011 137 T HN 0.598 nan 8.240 nan 0.000 0.689 138 T N 1.218 115.686 114.554 -0.143 0.000 3.680 138 T HA 0.078 4.428 4.350 -0.000 0.000 0.212 138 T C 1.323 176.043 174.700 0.035 0.000 0.820 138 T CA -0.058 62.024 62.100 -0.030 0.000 1.037 138 T CB -0.392 68.441 68.868 -0.058 0.000 1.004 138 T HN 0.409 nan 8.240 nan 0.000 0.339 139 N N 2.150 120.865 118.700 0.024 0.000 2.005 139 N HA 0.129 4.869 4.740 -0.000 0.000 0.194 139 N C 1.128 176.735 175.510 0.161 0.000 1.088 139 N CA 1.782 54.889 53.050 0.095 0.000 0.889 139 N CB -0.783 37.777 38.487 0.123 0.000 1.069 139 N HN 0.578 nan 8.380 nan 0.000 0.444 140 G N -0.858 108.064 108.800 0.204 0.000 2.642 140 G HA2 0.640 4.600 3.960 -0.000 0.000 0.291 140 G HA3 0.640 4.600 3.960 -0.000 0.000 0.291 140 G C -0.610 174.483 174.900 0.322 0.000 1.345 140 G CA -0.642 44.594 45.100 0.227 0.000 1.043 140 G HN 0.133 nan 8.290 nan 0.000 0.528 141 L N 0.478 121.838 121.223 0.229 0.000 2.416 141 L HA 0.328 4.668 4.340 -0.000 0.000 0.262 141 L C -2.020 174.840 176.870 -0.017 0.000 1.093 141 L CA -1.666 53.254 54.840 0.132 0.000 0.801 141 L CB 1.921 44.006 42.059 0.043 0.000 1.191 141 L HN 0.235 nan 8.230 nan 0.000 0.459 142 P HA 0.180 nan 4.420 nan 0.000 0.271 142 P C -1.028 176.069 177.300 -0.340 0.000 1.218 142 P CA 0.186 62.768 63.100 -0.864 0.000 0.780 142 P CB 0.523 31.389 31.700 -1.389 0.000 0.901 143 I N 3.216 123.660 120.570 -0.210 0.000 2.410 143 I HA 0.291 4.461 4.170 -0.000 0.000 0.286 143 I C -0.667 175.426 176.117 -0.040 0.000 1.009 143 I CA -0.764 60.501 61.300 -0.057 0.000 1.111 143 I CB 1.142 39.161 38.000 0.031 0.000 1.262 143 I HN 0.023 nan 8.210 nan 0.000 0.443 144 L N 7.551 128.773 121.223 -0.002 0.000 2.287 144 L HA 0.537 4.877 4.340 -0.000 0.000 0.287 144 L C -0.225 176.870 176.870 0.376 0.000 1.022 144 L CA -0.108 54.770 54.840 0.064 0.000 0.814 144 L CB 1.331 43.243 42.059 -0.245 0.000 1.217 144 L HN 0.429 nan 8.230 nan 0.000 0.420 145 I N 2.696 123.544 120.570 0.463 0.000 2.377 145 I HA 0.271 4.441 4.170 -0.000 0.000 0.293 145 I C -0.795 175.560 176.117 0.397 0.000 0.987 145 I CA -0.475 61.092 61.300 0.444 0.000 1.185 145 I CB 1.420 39.620 38.000 0.334 0.000 1.341 145 I HN 0.654 nan 8.210 nan 0.000 0.455 146 W N 8.377 129.617 121.300 -0.100 0.000 2.429 146 W HA 0.583 5.242 4.660 -0.000 0.000 0.314 146 W C -1.722 174.448 176.519 -0.581 0.000 1.062 146 W CA -0.746 56.194 57.345 -0.674 0.000 1.211 146 W CB 1.230 30.255 29.460 -0.726 0.000 1.305 146 W HN 0.344 nan 8.180 nan 0.000 0.476 147 I N 8.722 128.541 120.570 -1.252 0.000 2.330 147 I HA 0.107 4.277 4.170 -0.000 0.000 0.289 147 I C -0.144 175.059 176.117 -1.523 0.000 1.001 147 I CA -1.138 59.431 61.300 -1.218 0.000 1.193 147 I CB 0.829 38.335 38.000 -0.823 0.000 1.345 147 I HN 0.312 nan 8.210 nan 0.000 0.461 148 Y N 4.632 124.419 120.300 -0.856 0.000 2.326 148 Y HA 0.719 5.269 4.550 -0.000 0.000 0.333 148 Y C 0.641 176.422 175.900 -0.197 0.000 1.240 148 Y CA -0.933 56.846 58.100 -0.536 0.000 1.365 148 Y CB 0.099 38.594 38.460 0.058 0.000 1.289 148 Y HN 0.531 nan 8.280 nan 0.000 0.548 149 G N -0.834 108.030 108.800 0.106 0.000 2.613 149 G HA2 0.508 4.468 3.960 -0.000 0.000 0.303 149 G HA3 0.508 4.468 3.960 -0.000 0.000 0.303 149 G C 0.154 175.190 174.900 0.226 0.000 1.312 149 G CA -0.920 44.227 45.100 0.079 0.000 1.036 149 G HN 1.631 nan 8.290 nan 0.000 0.513 150 G N -2.451 106.383 108.800 0.057 0.000 3.034 150 G HA2 0.445 4.405 3.960 -0.000 0.000 0.222 150 G HA3 0.445 4.405 3.960 -0.000 0.000 0.222 150 G C 0.774 175.575 174.900 -0.165 0.000 0.980 150 G CA 0.693 45.810 45.100 0.029 0.000 1.008 150 G HN 2.230 nan 8.290 nan 0.000 0.632 151 G N 0.109 108.715 108.800 -0.324 0.000 2.350 151 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.298 151 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.298 151 G C 0.919 175.606 174.900 -0.355 0.000 1.037 151 G CA 0.439 45.152 45.100 -0.645 0.000 1.074 151 G HN 1.181 nan 8.290 nan 0.000 0.511 152 F N -1.744 118.142 119.950 -0.106 0.000 2.207 152 F HA -0.334 4.193 4.527 -0.000 0.000 0.287 152 F C 2.547 178.406 175.800 0.098 0.000 0.979 152 F CA 2.005 60.039 58.000 0.057 0.000 1.411 152 F CB -0.269 38.570 39.000 -0.269 0.000 1.155 152 F HN 0.401 nan 8.300 nan 0.000 0.560 153 M N -1.305 118.354 119.600 0.100 0.000 2.502 153 M HA 0.148 4.628 4.480 -0.000 0.000 0.243 153 M C 0.498 176.943 176.300 0.242 0.000 1.130 153 M CA 0.777 56.157 55.300 0.132 0.000 1.055 153 M CB -0.586 31.962 32.600 -0.085 0.000 1.457 153 M HN -0.151 nan 8.290 nan 0.000 0.488 154 T N -0.438 114.236 114.554 0.200 0.000 2.841 154 T HA 0.756 5.106 4.350 -0.000 0.000 0.296 154 T C -0.311 174.505 174.700 0.192 0.000 1.166 154 T CA -0.231 62.002 62.100 0.221 0.000 1.007 154 T CB 2.616 71.654 68.868 0.284 0.000 1.253 154 T HN 0.362 nan 8.240 nan 0.000 0.511 155 G N 0.478 109.321 108.800 0.072 0.000 2.528 155 G HA2 0.387 4.347 3.960 -0.000 0.000 0.681 155 G HA3 0.387 4.347 3.960 -0.000 0.000 0.681 155 G C -0.922 173.491 174.900 -0.810 0.000 1.340 155 G CA -0.139 44.895 45.100 -0.109 0.000 0.855 155 G HN 1.005 nan 8.290 nan 0.000 0.649 156 S N -0.472 114.675 115.700 -0.922 0.000 2.533 156 S HA 0.797 5.267 4.470 -0.000 0.000 0.271 156 S C 0.908 175.310 174.600 -0.330 0.000 1.143 156 S CA 0.587 58.306 58.200 -0.802 0.000 0.891 156 S CB 1.540 64.563 63.200 -0.294 0.000 1.105 156 S HN 2.318 nan 8.310 nan 0.000 0.468 157 A N 2.279 125.095 122.820 -0.005 0.000 2.208 157 A HA 0.131 4.451 4.320 -0.000 0.000 0.209 157 A C 1.907 179.667 177.584 0.294 0.000 1.161 157 A CA 1.442 53.743 52.037 0.439 0.000 0.782 157 A CB -1.000 18.290 19.000 0.484 0.000 0.816 157 A HN 1.172 nan 8.150 nan 0.000 0.477 158 T N -1.463 113.149 114.554 0.097 0.000 3.023 158 T HA 0.166 4.516 4.350 -0.000 0.000 0.266 158 T C 0.793 175.443 174.700 -0.082 0.000 1.093 158 T CA -0.078 62.036 62.100 0.024 0.000 1.129 158 T CB -0.775 68.075 68.868 -0.030 0.000 0.899 158 T HN 0.286 nan 8.240 nan 0.000 0.491 159 L N 2.301 123.403 121.223 -0.201 0.000 2.593 159 L HA 0.017 4.357 4.340 -0.000 0.000 0.287 159 L C 1.192 177.809 176.870 -0.421 0.000 1.243 159 L CA -0.031 54.557 54.840 -0.420 0.000 0.890 159 L CB 0.056 41.650 42.059 -0.776 0.000 1.134 159 L HN 0.143 nan 8.230 nan 0.000 0.502 160 D N 1.789 121.953 120.400 -0.393 0.000 2.178 160 D HA -0.186 4.454 4.640 -0.000 0.000 0.201 160 D C 1.866 177.907 176.300 -0.432 0.000 0.980 160 D CA 0.980 54.779 54.000 -0.335 0.000 0.842 160 D CB 0.050 40.675 40.800 -0.291 0.000 0.948 160 D HN 0.559 nan 8.370 nan 0.000 0.472 161 I N -0.007 120.204 120.570 -0.599 0.000 2.567 161 I HA -0.239 3.931 4.170 -0.000 0.000 0.257 161 I C 0.625 176.375 176.117 -0.613 0.000 1.184 161 I CA 1.228 62.170 61.300 -0.597 0.000 1.451 161 I CB -0.183 37.358 38.000 -0.765 0.000 1.089 161 I HN 0.064 nan 8.210 nan 0.000 0.441 162 Y N -0.756 119.109 120.300 -0.727 0.000 2.468 162 Y HA 0.296 4.846 4.550 -0.000 0.000 0.268 162 Y C 0.865 176.074 175.900 -1.152 0.000 1.177 162 Y CA -1.350 56.014 58.100 -1.227 0.000 1.265 162 Y CB -1.825 36.264 38.460 -0.619 0.000 1.103 162 Y HN 0.194 nan 8.280 nan 0.000 0.522 163 N N 1.617 119.948 118.700 -0.615 0.000 2.414 163 N HA 0.108 4.848 4.740 -0.000 0.000 0.268 163 N C 0.732 175.824 175.510 -0.696 0.000 1.286 163 N CA 0.605 53.386 53.050 -0.448 0.000 0.896 163 N CB 0.805 39.145 38.487 -0.244 0.000 1.093 163 N HN 0.216 nan 8.380 nan 0.000 0.480 164 A N 3.201 125.325 122.820 -1.161 0.000 2.415 164 A HA 0.103 4.423 4.320 -0.000 0.000 0.248 164 A C 1.236 178.326 177.584 -0.822 0.000 1.299 164 A CA -0.291 51.114 52.037 -1.053 0.000 0.899 164 A CB -0.105 18.051 19.000 -1.407 0.000 0.997 164 A HN 0.754 nan 8.150 nan 0.000 0.506 165 D N 0.964 121.078 120.400 -0.475 0.000 2.120 165 D HA -0.196 4.443 4.640 -0.000 0.000 0.191 165 D C 1.806 178.058 176.300 -0.081 0.000 0.994 165 D CA 1.460 55.410 54.000 -0.083 0.000 0.838 165 D CB -0.303 40.521 40.800 0.041 0.000 0.976 165 D HN 0.486 nan 8.370 nan 0.000 0.447 166 I N 0.672 121.186 120.570 -0.093 0.000 2.145 166 I HA -0.344 3.826 4.170 -0.000 0.000 0.244 166 I C 2.621 178.689 176.117 -0.082 0.000 1.075 166 I CA 1.201 62.453 61.300 -0.079 0.000 1.332 166 I CB -0.284 37.659 38.000 -0.096 0.000 1.033 166 I HN 0.086 nan 8.210 nan 0.000 0.410 167 M N 0.708 120.250 119.600 -0.098 0.000 2.065 167 M HA -0.268 4.212 4.480 -0.000 0.000 0.259 167 M C 2.467 178.710 176.300 -0.095 0.000 1.069 167 M CA 2.506 57.740 55.300 -0.109 0.000 1.110 167 M CB -0.207 32.322 32.600 -0.118 0.000 1.328 167 M HN 0.270 nan 8.290 nan 0.000 0.405 168 A N 0.224 123.001 122.820 -0.072 0.000 1.883 168 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 168 A C 2.307 179.894 177.584 0.005 0.000 1.186 168 A CA 2.271 54.310 52.037 0.003 0.000 0.624 168 A CB -1.333 17.741 19.000 0.123 0.000 0.822 168 A HN 0.719 nan 8.150 nan 0.000 0.444 169 A N -0.687 122.136 122.820 0.005 0.000 1.832 169 A HA 0.017 4.337 4.320 -0.000 0.000 0.214 169 A C 2.247 179.818 177.584 -0.022 0.000 1.200 169 A CA 1.852 53.890 52.037 0.002 0.000 0.610 169 A CB -1.156 17.848 19.000 0.006 0.000 0.842 169 A HN 0.439 nan 8.150 nan 0.000 0.444 170 V N -0.024 119.866 119.914 -0.039 0.000 2.295 170 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 170 V C 2.752 178.814 176.094 -0.054 0.000 1.049 170 V CA 2.136 64.408 62.300 -0.047 0.000 1.024 170 V CB -1.389 30.398 31.823 -0.060 0.000 0.648 170 V HN 0.639 nan 8.190 nan 0.000 0.447 171 G N -1.246 107.510 108.800 -0.074 0.000 2.464 171 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.217 171 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.217 171 G C 0.705 175.553 174.900 -0.087 0.000 1.138 171 G CA 0.564 45.607 45.100 -0.094 0.000 0.793 171 G HN 0.662 nan 8.290 nan 0.000 0.539 172 N N -0.812 117.851 118.700 -0.062 0.000 2.726 172 N HA -0.178 4.562 4.740 -0.000 0.000 0.253 172 N C -0.473 174.994 175.510 -0.072 0.000 1.059 172 N CA 0.192 53.216 53.050 -0.043 0.000 0.701 172 N CB -1.145 37.323 38.487 -0.031 0.000 0.899 172 N HN 0.544 nan 8.380 nan 0.000 0.548 173 V N -1.433 118.437 119.914 -0.073 0.000 3.114 173 V HA 0.653 4.773 4.120 -0.000 0.000 0.308 173 V C 0.310 176.395 176.094 -0.016 0.000 1.168 173 V CA -1.268 60.964 62.300 -0.112 0.000 1.015 173 V CB 1.877 33.571 31.823 -0.215 0.000 1.050 173 V HN 0.031 nan 8.190 nan 0.000 0.433 174 I N 2.626 123.198 120.570 0.002 0.000 2.416 174 I HA 0.422 4.592 4.170 -0.000 0.000 0.288 174 I C -0.068 176.122 176.117 0.121 0.000 1.051 174 I CA 0.030 61.391 61.300 0.102 0.000 1.375 174 I CB 1.000 39.061 38.000 0.102 0.000 1.407 174 I HN 0.496 nan 8.210 nan 0.000 0.516 175 V N 5.952 126.013 119.914 0.245 0.000 2.540 175 V HA 0.799 4.919 4.120 -0.000 0.000 0.302 175 V C 0.163 176.582 176.094 0.543 0.000 1.035 175 V CA -0.651 61.835 62.300 0.310 0.000 0.873 175 V CB 1.668 33.605 31.823 0.191 0.000 0.992 175 V HN 0.889 nan 8.190 nan 0.000 0.428 176 A N 3.581 126.697 122.820 0.493 0.000 2.435 176 A HA 0.995 5.314 4.320 -0.000 0.000 0.304 176 A C -0.235 177.672 177.584 0.539 0.000 1.064 176 A CA -0.275 52.075 52.037 0.521 0.000 0.727 176 A CB 2.093 21.285 19.000 0.321 0.000 1.284 176 A HN 1.128 nan 8.150 nan 0.000 0.415 177 S N 0.021 116.067 115.700 0.576 0.000 2.704 177 S HA 0.984 5.454 4.470 -0.000 0.000 0.296 177 S C -0.732 174.096 174.600 0.378 0.000 1.138 177 S CA -0.524 57.917 58.200 0.402 0.000 0.875 177 S CB 1.535 65.064 63.200 0.548 0.000 1.151 177 S HN 1.959 nan 8.310 nan 0.000 0.500 178 F N -2.101 118.056 119.950 0.346 0.000 2.744 178 F HA 0.580 5.107 4.527 -0.000 0.000 0.311 178 F C -1.466 174.618 175.800 0.474 0.000 1.144 178 F CA -1.093 57.092 58.000 0.308 0.000 0.938 178 F CB 0.686 39.736 39.000 0.082 0.000 1.292 178 F HN 0.490 nan 8.300 nan 0.000 0.444 179 Q N 2.006 122.285 119.800 0.799 0.000 2.259 179 Q HA 0.387 4.727 4.340 -0.000 0.000 0.249 179 Q C -1.306 175.203 176.000 0.849 0.000 0.914 179 Q CA -0.350 55.896 55.803 0.738 0.000 0.904 179 Q CB 1.949 30.965 28.738 0.464 0.000 1.213 179 Q HN 0.834 nan 8.270 nan 0.000 0.428 180 Y N -2.179 118.474 120.300 0.588 0.000 2.492 180 Y HA 0.562 5.112 4.550 -0.000 0.000 0.346 180 Y C -0.385 175.726 175.900 0.351 0.000 0.997 180 Y CA -1.348 57.018 58.100 0.443 0.000 1.025 180 Y CB 1.040 39.737 38.460 0.394 0.000 1.263 180 Y HN 0.389 nan 8.280 nan 0.000 0.454 181 R N 2.430 123.097 120.500 0.278 0.000 2.502 181 R HA 0.377 4.717 4.340 -0.000 0.000 0.292 181 R C -0.289 176.163 176.300 0.253 0.000 0.998 181 R CA 0.088 56.295 56.100 0.180 0.000 1.056 181 R CB 0.383 30.771 30.300 0.147 0.000 0.939 181 R HN 0.710 nan 8.270 nan 0.000 0.411 182 V N 0.595 120.672 119.914 0.272 0.000 3.096 182 V HA 0.908 5.028 4.120 -0.000 0.000 0.319 182 V C 0.731 177.142 176.094 0.529 0.000 1.103 182 V CA -0.109 62.465 62.300 0.458 0.000 1.016 182 V CB 1.363 33.360 31.823 0.291 0.000 1.090 182 V HN 0.986 nan 8.190 nan 0.000 0.449 183 G N 1.039 110.150 108.800 0.517 0.000 2.645 183 G HA2 0.093 4.053 3.960 -0.000 0.000 0.246 183 G HA3 0.093 4.053 3.960 -0.000 0.000 0.246 183 G C 0.934 176.021 174.900 0.312 0.000 1.322 183 G CA 0.568 45.868 45.100 0.333 0.000 0.898 183 G HN 2.202 nan 8.290 nan 0.000 0.573 184 A N -1.203 121.631 122.820 0.023 0.000 1.986 184 A HA 0.101 4.421 4.320 -0.000 0.000 0.220 184 A C 2.227 179.863 177.584 0.086 0.000 1.171 184 A CA 2.754 54.754 52.037 -0.061 0.000 0.640 184 A CB -0.578 18.259 19.000 -0.272 0.000 0.811 184 A HN 1.070 nan 8.150 nan 0.000 0.451 185 F N -0.115 120.010 119.950 0.292 0.000 2.161 185 F HA -0.030 4.497 4.527 -0.000 0.000 0.300 185 F C 2.503 178.394 175.800 0.151 0.000 1.089 185 F CA 1.255 59.386 58.000 0.219 0.000 1.282 185 F CB -0.741 38.311 39.000 0.087 0.000 1.010 185 F HN 0.285 nan 8.300 nan 0.000 0.485 186 G N -2.317 106.644 108.800 0.268 0.000 2.833 186 G HA2 0.046 4.006 3.960 -0.000 0.000 0.210 186 G HA3 0.046 4.006 3.960 -0.000 0.000 0.210 186 G C 0.776 175.297 174.900 -0.631 0.000 1.139 186 G CA 0.069 45.078 45.100 -0.151 0.000 0.771 186 G HN 0.337 nan 8.290 nan 0.000 0.535 187 F N -0.346 119.702 119.950 0.163 0.000 2.781 187 F HA 0.422 4.948 4.527 -0.000 0.000 0.322 187 F C 0.316 176.147 175.800 0.052 0.000 1.108 187 F CA -1.014 57.031 58.000 0.075 0.000 1.179 187 F CB 0.596 39.593 39.000 -0.004 0.000 1.072 187 F HN -0.094 nan 8.300 nan 0.000 0.545 188 L N 1.856 123.156 121.223 0.128 0.000 2.584 188 L HA 0.068 4.407 4.340 -0.000 0.000 0.272 188 L C -0.386 176.511 176.870 0.046 0.000 1.195 188 L CA 0.351 55.170 54.840 -0.036 0.000 0.920 188 L CB -0.438 41.380 42.059 -0.402 0.000 1.173 188 L HN 0.199 nan 8.230 nan 0.000 0.489 189 H N 5.248 124.289 119.070 -0.050 0.000 2.718 189 H HA 0.474 5.030 4.556 -0.000 0.000 0.295 189 H C -0.190 175.111 175.328 -0.044 0.000 1.051 189 H CA -0.437 55.602 56.048 -0.014 0.000 1.260 189 H CB 0.653 30.433 29.762 0.030 0.000 1.403 189 H HN 0.748 nan 8.280 nan 0.000 0.488 190 L N 3.469 124.507 121.223 -0.309 0.000 2.993 190 L HA 0.346 4.686 4.340 -0.000 0.000 0.264 190 L C 2.219 178.925 176.870 -0.273 0.000 1.154 190 L CA 0.566 55.246 54.840 -0.268 0.000 0.972 190 L CB 0.109 42.053 42.059 -0.192 0.000 1.373 190 L HN 0.629 nan 8.230 nan 0.000 0.564 191 A N 1.695 124.326 122.820 -0.315 0.000 1.954 191 A HA -0.195 4.125 4.320 -0.000 0.000 0.222 191 A C -0.220 177.285 177.584 -0.132 0.000 1.199 191 A CA 2.265 54.198 52.037 -0.174 0.000 0.657 191 A CB -1.690 17.233 19.000 -0.130 0.000 0.823 191 A HN 0.271 nan 8.150 nan 0.000 0.463 192 P HA -0.083 nan 4.420 nan 0.000 0.219 192 P C 1.015 178.285 177.300 -0.051 0.000 1.150 192 P CA 0.910 63.964 63.100 -0.077 0.000 0.814 192 P CB 0.041 31.711 31.700 -0.050 0.000 0.787 193 E N -1.088 119.066 120.200 -0.078 0.000 2.494 193 E HA 0.105 4.455 4.350 -0.000 0.000 0.193 193 E C 0.595 177.162 176.600 -0.055 0.000 1.074 193 E CA 0.533 56.898 56.400 -0.059 0.000 0.867 193 E CB -0.187 29.468 29.700 -0.075 0.000 0.924 193 E HN 0.381 nan 8.360 nan 0.000 0.502 194 M N -0.063 119.518 119.600 -0.033 0.000 2.619 194 M HA 0.378 4.858 4.480 -0.000 0.000 0.297 194 M C -2.518 173.836 176.300 0.090 0.000 1.229 194 M CA -2.142 53.160 55.300 0.004 0.000 0.860 194 M CB 2.207 34.811 32.600 0.006 0.000 1.741 194 M HN -0.319 nan 8.290 nan 0.000 0.462 195 P HA 0.078 nan 4.420 nan 0.000 0.269 195 P C 0.316 177.721 177.300 0.176 0.000 1.215 195 P CA -0.104 63.111 63.100 0.192 0.000 0.780 195 P CB 0.589 32.454 31.700 0.276 0.000 0.898 196 S N 1.140 116.888 115.700 0.081 0.000 2.407 196 S HA -0.318 4.152 4.470 -0.000 0.000 0.235 196 S C 1.767 176.360 174.600 -0.011 0.000 1.036 196 S CA 1.718 59.939 58.200 0.035 0.000 1.013 196 S CB -1.014 62.193 63.200 0.012 0.000 0.820 196 S HN 0.686 nan 8.310 nan 0.000 0.476 197 E N 0.965 121.122 120.200 -0.072 0.000 2.097 197 E HA -0.194 4.155 4.350 -0.000 0.000 0.196 197 E C 0.481 176.833 176.600 -0.414 0.000 1.000 197 E CA 1.341 57.551 56.400 -0.316 0.000 0.804 197 E CB -0.283 29.086 29.700 -0.551 0.000 0.740 197 E HN 0.745 nan 8.360 nan 0.000 0.454 198 F N 0.131 120.074 119.950 -0.011 0.000 2.798 198 F HA 0.406 4.933 4.527 -0.000 0.000 0.291 198 F C 1.504 177.290 175.800 -0.024 0.000 1.174 198 F CA 0.041 58.032 58.000 -0.014 0.000 1.392 198 F CB 0.031 39.023 39.000 -0.013 0.000 0.966 198 F HN 0.088 nan 8.300 nan 0.000 0.509 199 A N 0.153 123.021 122.820 0.079 0.000 1.865 199 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 199 A C 2.040 179.641 177.584 0.028 0.000 1.191 199 A CA 1.653 53.717 52.037 0.045 0.000 0.623 199 A CB -0.460 18.550 19.000 0.017 0.000 0.826 199 A HN 0.274 nan 8.150 nan 0.000 0.444 200 E N -0.444 119.758 120.200 0.004 0.000 2.533 200 E HA -0.035 4.314 4.350 -0.000 0.000 0.201 200 E C 1.537 178.147 176.600 0.018 0.000 1.097 200 E CA 0.619 57.007 56.400 -0.020 0.000 0.887 200 E CB -0.141 29.528 29.700 -0.051 0.000 0.855 200 E HN 0.651 nan 8.360 nan 0.000 0.540 201 E N -0.005 120.234 120.200 0.065 0.000 2.076 201 E HA 0.058 4.408 4.350 -0.000 0.000 0.190 201 E C -0.154 176.498 176.600 0.086 0.000 0.979 201 E CA 1.045 57.503 56.400 0.097 0.000 0.807 201 E CB 0.229 30.017 29.700 0.148 0.000 0.761 201 E HN 0.092 nan 8.360 nan 0.000 0.454 202 A N -0.164 122.680 122.820 0.041 0.000 3.277 202 A HA 0.328 4.648 4.320 -0.000 0.000 0.281 202 A C -2.344 175.249 177.584 0.015 0.000 1.179 202 A CA -0.869 51.182 52.037 0.023 0.000 0.879 202 A CB 0.497 19.447 19.000 -0.085 0.000 1.374 202 A HN 0.047 nan 8.150 nan 0.000 0.590 203 P HA 0.157 nan 4.420 nan 0.000 0.221 203 P C 0.976 178.464 177.300 0.314 0.000 1.150 203 P CA 1.930 65.105 63.100 0.125 0.000 0.800 203 P CB 0.197 31.937 31.700 0.067 0.000 0.787 204 G N 0.006 108.962 108.800 0.259 0.000 2.712 204 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.686 204 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.686 204 G C -0.162 174.873 174.900 0.225 0.000 1.321 204 G CA -0.331 44.942 45.100 0.289 0.000 0.813 204 G HN 0.191 nan 8.290 nan 0.000 0.599 205 N N -2.420 116.332 118.700 0.087 0.000 2.753 205 N HA -0.298 4.442 4.740 -0.000 0.000 0.251 205 N C 1.774 177.231 175.510 -0.089 0.000 1.097 205 N CA 2.313 55.320 53.050 -0.072 0.000 0.786 205 N CB -2.006 36.492 38.487 0.019 0.000 1.137 205 N HN 1.927 nan 8.380 nan 0.000 0.566 206 V N -2.483 117.432 119.914 0.001 0.000 2.720 206 V HA -0.038 4.082 4.120 -0.000 0.000 0.256 206 V C 2.395 178.478 176.094 -0.018 0.000 1.082 206 V CA 2.197 64.590 62.300 0.155 0.000 1.101 206 V CB -1.025 30.834 31.823 0.059 0.000 0.693 206 V HN 0.320 nan 8.190 nan 0.000 0.479 207 G N 0.859 109.437 108.800 -0.369 0.000 2.422 207 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 207 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.218 207 G C 1.516 176.402 174.900 -0.024 0.000 1.146 207 G CA 1.242 46.237 45.100 -0.176 0.000 0.769 207 G HN 0.564 nan 8.290 nan 0.000 0.547 208 L N -1.690 119.367 121.223 -0.276 0.000 2.240 208 L HA 0.110 4.450 4.340 -0.000 0.000 0.211 208 L C 2.576 179.051 176.870 -0.659 0.000 1.106 208 L CA 0.246 54.788 54.840 -0.498 0.000 0.793 208 L CB -0.288 41.255 42.059 -0.859 0.000 0.927 208 L HN 0.257 nan 8.230 nan 0.000 0.446 209 W N 0.779 121.818 121.300 -0.435 0.000 2.436 209 W HA -0.114 4.546 4.660 -0.000 0.000 0.284 209 W C 2.233 178.728 176.519 -0.041 0.000 1.225 209 W CA 0.504 57.728 57.345 -0.202 0.000 1.271 209 W CB -0.130 29.268 29.460 -0.104 0.000 1.114 209 W HN 0.131 nan 8.180 nan 0.000 0.559 210 D N 0.035 120.553 120.400 0.197 0.000 2.078 210 D HA -0.209 4.431 4.640 -0.000 0.000 0.193 210 D C 1.971 178.326 176.300 0.091 0.000 0.990 210 D CA 1.603 55.767 54.000 0.274 0.000 0.827 210 D CB -0.820 40.192 40.800 0.354 0.000 0.975 210 D HN 0.263 nan 8.370 nan 0.000 0.451 211 Q N 0.556 120.349 119.800 -0.011 0.000 2.077 211 Q HA -0.180 4.160 4.340 -0.000 0.000 0.206 211 Q C 2.253 178.114 176.000 -0.231 0.000 0.989 211 Q CA 1.793 57.470 55.803 -0.210 0.000 0.853 211 Q CB -0.258 28.467 28.738 -0.022 0.000 0.907 211 Q HN 0.247 nan 8.270 nan 0.000 0.418 212 A N 0.835 123.627 122.820 -0.047 0.000 1.892 212 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 212 A C 2.085 179.693 177.584 0.040 0.000 1.188 212 A CA 1.545 53.619 52.037 0.062 0.000 0.631 212 A CB -0.764 18.351 19.000 0.192 0.000 0.822 212 A HN 0.350 nan 8.150 nan 0.000 0.447 213 L N -0.463 120.810 121.223 0.083 0.000 2.046 213 L HA -0.072 4.267 4.340 -0.000 0.000 0.208 213 L C 2.752 179.597 176.870 -0.042 0.000 1.077 213 L CA 2.099 57.023 54.840 0.140 0.000 0.747 213 L CB -0.737 41.512 42.059 0.317 0.000 0.896 213 L HN 0.379 nan 8.230 nan 0.000 0.432 214 A N -0.134 122.349 122.820 -0.563 0.000 1.845 214 A HA -0.215 4.105 4.320 -0.000 0.000 0.215 214 A C 2.252 179.599 177.584 -0.394 0.000 1.195 214 A CA 2.200 53.593 52.037 -1.073 0.000 0.616 214 A CB -0.968 16.637 19.000 -2.325 0.000 0.832 214 A HN 0.471 nan 8.150 nan 0.000 0.443 215 I N -1.000 119.383 120.570 -0.312 0.000 2.264 215 I HA -0.282 3.887 4.170 -0.000 0.000 0.248 215 I C 2.744 178.882 176.117 0.035 0.000 1.111 215 I CA 1.734 63.010 61.300 -0.040 0.000 1.382 215 I CB -0.382 37.627 38.000 0.015 0.000 1.060 215 I HN 0.395 nan 8.210 nan 0.000 0.418 216 R N 0.344 120.869 120.500 0.041 0.000 2.062 216 R HA -0.243 4.097 4.340 -0.000 0.000 0.231 216 R C 2.319 178.679 176.300 0.100 0.000 1.136 216 R CA 1.973 58.118 56.100 0.076 0.000 0.948 216 R CB -0.524 29.838 30.300 0.103 0.000 0.845 216 R HN 0.393 nan 8.270 nan 0.000 0.430 217 W N 1.283 122.574 121.300 -0.015 0.000 2.305 217 W HA -0.240 4.420 4.660 0.000 0.000 0.308 217 W C 1.673 178.213 176.519 0.035 0.000 1.226 217 W CA 1.698 59.059 57.345 0.028 0.000 1.253 217 W CB -0.241 29.243 29.460 0.039 0.000 1.146 217 W HN 0.118 nan 8.180 nan 0.000 0.507 218 L N 0.238 121.651 121.223 0.316 0.000 2.109 218 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 218 L C 2.494 179.387 176.870 0.037 0.000 1.086 218 L CA 1.538 56.511 54.840 0.221 0.000 0.760 218 L CB -0.773 41.429 42.059 0.238 0.000 0.910 218 L HN -0.104 nan 8.230 nan 0.000 0.437 219 K N -0.180 120.232 120.400 0.019 0.000 2.211 219 K HA -0.156 4.164 4.320 -0.000 0.000 0.203 219 K C 1.373 177.934 176.600 -0.065 0.000 1.050 219 K CA 1.129 57.408 56.287 -0.013 0.000 0.945 219 K CB 0.155 32.658 32.500 0.005 0.000 0.732 219 K HN 0.225 nan 8.250 nan 0.000 0.451 220 D N 0.199 120.521 120.400 -0.129 0.000 2.277 220 D HA -0.051 4.589 4.640 -0.000 0.000 0.208 220 D C 0.678 176.837 176.300 -0.234 0.000 0.962 220 D CA 0.753 54.643 54.000 -0.183 0.000 0.865 220 D CB 0.148 40.795 40.800 -0.255 0.000 0.939 220 D HN 0.205 nan 8.370 nan 0.000 0.510 221 N N -0.034 118.490 118.700 -0.293 0.000 2.200 221 N HA 0.178 4.918 4.740 -0.000 0.000 0.224 221 N C 1.332 176.887 175.510 0.075 0.000 1.179 221 N CA 0.035 52.968 53.050 -0.196 0.000 0.877 221 N CB 1.038 39.257 38.487 -0.446 0.000 1.072 221 N HN -0.026 nan 8.380 nan 0.000 0.519 222 A N 1.554 124.384 122.820 0.017 0.000 1.869 222 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 222 A C 1.829 179.457 177.584 0.074 0.000 1.203 222 A CA 1.437 53.498 52.037 0.039 0.000 0.638 222 A CB -0.888 18.053 19.000 -0.099 0.000 0.831 222 A HN 0.308 nan 8.150 nan 0.000 0.450 223 H N -0.501 118.610 119.070 0.069 0.000 2.353 223 H HA -0.147 4.409 4.556 -0.000 0.000 0.298 223 H C 2.539 177.875 175.328 0.013 0.000 1.103 223 H CA 1.594 57.668 56.048 0.042 0.000 1.293 223 H CB -0.811 28.951 29.762 0.001 0.000 1.372 223 H HN 0.543 nan 8.280 nan 0.000 0.501 224 A N 0.437 123.301 122.820 0.074 0.000 2.042 224 A HA -0.183 4.137 4.320 -0.000 0.000 0.222 224 A C 1.613 178.986 177.584 -0.352 0.000 1.167 224 A CA 1.582 53.512 52.037 -0.178 0.000 0.649 224 A CB -0.834 17.966 19.000 -0.334 0.000 0.809 224 A HN 0.303 nan 8.150 nan 0.000 0.457 225 F N -1.781 118.185 119.950 0.026 0.000 2.661 225 F HA 0.423 4.949 4.527 -0.000 0.000 0.306 225 F C 1.592 177.446 175.800 0.091 0.000 1.094 225 F CA 0.429 58.454 58.000 0.042 0.000 1.254 225 F CB 0.487 39.504 39.000 0.028 0.000 1.040 225 F HN 0.313 nan 8.300 nan 0.000 0.562 226 G N 0.529 109.459 108.800 0.217 0.000 2.130 226 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.216 226 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.216 226 G C 0.412 175.417 174.900 0.175 0.000 0.999 226 G CA -0.296 44.915 45.100 0.185 0.000 0.686 226 G HN 0.718 nan 8.290 nan 0.000 0.515 227 G N -0.713 108.184 108.800 0.160 0.000 2.434 227 G HA2 0.534 4.494 3.960 -0.000 0.000 0.330 227 G HA3 0.534 4.494 3.960 -0.000 0.000 0.330 227 G C -0.472 174.425 174.900 -0.006 0.000 1.155 227 G CA -0.431 44.729 45.100 0.099 0.000 0.917 227 G HN 0.358 nan 8.290 nan 0.000 0.493 228 N N 1.228 119.966 118.700 0.063 0.000 2.457 228 N HA 0.309 5.048 4.740 -0.000 0.000 0.250 228 N C -1.665 173.838 175.510 -0.012 0.000 0.982 228 N CA -2.186 50.870 53.050 0.011 0.000 0.941 228 N CB 2.168 40.800 38.487 0.242 0.000 1.120 228 N HN -0.046 nan 8.380 nan 0.000 0.505 229 P HA -0.149 nan 4.420 nan 0.000 0.218 229 P C -0.039 177.259 177.300 -0.003 0.000 1.152 229 P CA 1.506 64.554 63.100 -0.087 0.000 0.857 229 P CB 0.333 31.955 31.700 -0.131 0.000 0.787 230 E N -3.307 116.900 120.200 0.012 0.000 2.419 230 E HA -0.013 4.337 4.350 -0.000 0.000 0.190 230 E C 0.331 176.991 176.600 0.101 0.000 1.040 230 E CA -0.197 56.217 56.400 0.024 0.000 0.900 230 E CB -0.126 29.561 29.700 -0.022 0.000 1.054 230 E HN 0.306 nan 8.360 nan 0.000 0.462 231 W N 1.228 122.480 121.300 -0.081 0.000 2.693 231 W HA 0.338 4.998 4.660 0.000 0.000 0.415 231 W C -0.461 176.007 176.519 -0.085 0.000 0.932 231 W CA -0.783 56.509 57.345 -0.088 0.000 2.200 231 W CB -0.022 29.392 29.460 -0.075 0.000 1.188 231 W HN -0.080 nan 8.180 nan 0.000 0.665 232 M N 1.652 121.319 119.600 0.111 0.000 2.211 232 M HA 0.246 4.726 4.480 -0.000 0.000 0.356 232 M C 0.699 176.999 176.300 0.000 0.000 1.216 232 M CA 0.442 55.762 55.300 0.033 0.000 1.134 232 M CB 1.297 33.929 32.600 0.053 0.000 1.564 232 M HN -0.064 nan 8.290 nan 0.000 0.463 233 T N 2.731 117.278 114.554 -0.011 0.000 2.928 233 T HA 0.637 4.987 4.350 -0.000 0.000 0.296 233 T C -0.795 173.991 174.700 0.143 0.000 1.000 233 T CA -0.946 61.158 62.100 0.007 0.000 0.989 233 T CB 0.800 69.596 68.868 -0.121 0.000 1.005 233 T HN 0.570 nan 8.240 nan 0.000 0.442 234 L N 4.470 125.809 121.223 0.193 0.000 2.357 234 L HA 0.805 5.144 4.340 -0.000 0.000 0.273 234 L C -0.512 176.585 176.870 0.378 0.000 1.080 234 L CA -1.075 53.926 54.840 0.268 0.000 0.803 234 L CB 0.894 43.049 42.059 0.159 0.000 1.174 234 L HN 0.814 nan 8.230 nan 0.000 0.443 235 F N 0.218 120.195 119.950 0.044 0.000 2.615 235 F HA 0.898 5.425 4.527 0.000 0.000 0.312 235 F C -0.445 175.291 175.800 -0.106 0.000 1.119 235 F CA -1.116 56.900 58.000 0.027 0.000 0.979 235 F CB 1.240 40.284 39.000 0.074 0.000 1.266 235 F HN 0.474 nan 8.300 nan 0.000 0.444 236 G N 1.502 110.093 108.800 -0.348 0.000 2.649 236 G HA2 0.543 4.503 3.960 -0.000 0.000 0.290 236 G HA3 0.543 4.503 3.960 -0.000 0.000 0.290 236 G C -2.450 172.157 174.900 -0.489 0.000 1.426 236 G CA -0.788 43.724 45.100 -0.980 0.000 0.794 236 G HN 0.844 nan 8.290 nan 0.000 0.483 237 E N -0.033 119.852 120.200 -0.525 0.000 2.317 237 E HA 0.651 5.001 4.350 -0.000 0.000 0.270 237 E C 0.475 177.025 176.600 -0.084 0.000 0.885 237 E CA 0.102 56.439 56.400 -0.105 0.000 0.760 237 E CB 2.105 31.881 29.700 0.127 0.000 1.227 237 E HN 0.645 nan 8.360 nan 0.000 0.434 238 S N 1.396 117.136 115.700 0.067 0.000 3.961 238 S HA -0.346 4.124 4.470 -0.000 0.000 0.627 238 S C 1.329 176.101 174.600 0.287 0.000 2.148 238 S CA 1.426 59.772 58.200 0.242 0.000 4.099 238 S CB -1.556 61.734 63.200 0.149 0.000 0.219 238 S HN 0.918 nan 8.310 nan 0.000 0.744 239 A N 0.756 123.644 122.820 0.113 0.000 1.978 239 A HA 0.101 4.421 4.320 -0.000 0.000 0.220 239 A C 2.308 179.710 177.584 -0.303 0.000 1.170 239 A CA 2.516 54.448 52.037 -0.176 0.000 0.636 239 A CB -1.409 17.192 19.000 -0.664 0.000 0.810 239 A HN 1.452 nan 8.150 nan 0.000 0.448 240 G N -1.161 107.473 108.800 -0.277 0.000 2.422 240 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.218 240 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.218 240 G C 1.865 176.549 174.900 -0.360 0.000 1.140 240 G CA 1.373 46.205 45.100 -0.447 0.000 0.775 240 G HN 0.557 nan 8.290 nan 0.000 0.545 241 S N 0.351 115.931 115.700 -0.199 0.000 2.345 241 S HA -0.082 4.387 4.470 -0.000 0.000 0.219 241 S C 2.678 177.247 174.600 -0.052 0.000 1.031 241 S CA 1.718 59.859 58.200 -0.097 0.000 0.984 241 S CB -0.426 62.788 63.200 0.023 0.000 0.874 241 S HN 0.286 nan 8.310 nan 0.000 0.451 242 S N 1.307 117.004 115.700 -0.005 0.000 2.387 242 S HA -0.086 4.384 4.470 -0.000 0.000 0.230 242 S C 2.124 176.733 174.600 0.014 0.000 1.035 242 S CA 1.487 59.677 58.200 -0.017 0.000 1.014 242 S CB -0.504 62.706 63.200 0.016 0.000 0.836 242 S HN 0.612 nan 8.310 nan 0.000 0.466 243 S N 1.075 116.759 115.700 -0.026 0.000 2.356 243 S HA -0.068 4.402 4.470 -0.000 0.000 0.223 243 S C 2.050 176.636 174.600 -0.023 0.000 1.032 243 S CA 1.090 59.275 58.200 -0.026 0.000 1.005 243 S CB -0.498 62.566 63.200 -0.226 0.000 0.867 243 S HN 0.342 nan 8.310 nan 0.000 0.449 244 V N 3.204 123.078 119.914 -0.068 0.000 2.324 244 V HA -0.246 3.874 4.120 -0.000 0.000 0.250 244 V C 2.477 178.603 176.094 0.053 0.000 1.060 244 V CA 2.049 64.346 62.300 -0.005 0.000 1.042 244 V CB -0.894 30.924 31.823 -0.007 0.000 0.650 244 V HN 0.471 nan 8.190 nan 0.000 0.450 245 N N 0.555 119.275 118.700 0.034 0.000 2.069 245 N HA -0.161 4.579 4.740 -0.000 0.000 0.191 245 N C 1.794 177.338 175.510 0.057 0.000 1.031 245 N CA 2.064 55.141 53.050 0.045 0.000 0.852 245 N CB -0.396 38.049 38.487 -0.071 0.000 1.018 245 N HN 0.434 nan 8.380 nan 0.000 0.423 246 A N 0.701 123.558 122.820 0.063 0.000 1.858 246 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 246 A C 2.072 179.727 177.584 0.119 0.000 1.190 246 A CA 1.430 53.538 52.037 0.117 0.000 0.617 246 A CB -0.698 18.432 19.000 0.217 0.000 0.827 246 A HN 0.381 nan 8.150 nan 0.000 0.443 247 Q N -0.250 119.634 119.800 0.140 0.000 2.226 247 Q HA -0.071 4.269 4.340 -0.000 0.000 0.204 247 Q C 2.083 178.128 176.000 0.075 0.000 0.975 247 Q CA 1.070 56.944 55.803 0.119 0.000 0.866 247 Q CB -0.496 28.311 28.738 0.114 0.000 0.915 247 Q HN 0.740 nan 8.270 nan 0.000 0.440 248 L N -0.791 120.499 121.223 0.111 0.000 2.095 248 L HA -0.064 4.276 4.340 -0.000 0.000 0.204 248 L C 2.141 179.114 176.870 0.171 0.000 1.080 248 L CA 0.662 55.618 54.840 0.194 0.000 0.759 248 L CB -0.249 41.975 42.059 0.276 0.000 0.914 248 L HN 0.212 nan 8.230 nan 0.000 0.439 249 M N -0.967 118.674 119.600 0.070 0.000 2.357 249 M HA 0.053 4.533 4.480 -0.000 0.000 0.266 249 M C 1.376 177.613 176.300 -0.105 0.000 1.095 249 M CA 0.357 55.651 55.300 -0.011 0.000 1.156 249 M CB -0.890 31.716 32.600 0.010 0.000 1.365 249 M HN 0.053 nan 8.290 nan 0.000 0.447 250 S N 3.444 119.020 115.700 -0.207 0.000 2.642 250 S HA -0.011 4.459 4.470 -0.000 0.000 0.308 250 S C -1.205 173.175 174.600 -0.366 0.000 1.255 250 S CA -0.824 57.107 58.200 -0.449 0.000 1.057 250 S CB 0.496 63.024 63.200 -1.120 0.000 0.785 250 S HN 0.143 nan 8.310 nan 0.000 0.500 251 P HA -0.062 nan 4.420 nan 0.000 0.222 251 P C 1.381 178.567 177.300 -0.190 0.000 1.147 251 P CA 0.723 63.715 63.100 -0.180 0.000 0.790 251 P CB -0.026 31.602 31.700 -0.119 0.000 0.780 252 V N 0.717 120.422 119.914 -0.349 0.000 2.667 252 V HA -0.115 4.005 4.120 -0.000 0.000 0.252 252 V C 2.508 178.494 176.094 -0.180 0.000 1.065 252 V CA 2.512 64.656 62.300 -0.258 0.000 1.083 252 V CB -1.537 30.003 31.823 -0.471 0.000 0.692 252 V HN 0.360 nan 8.190 nan 0.000 0.468 253 T N -3.737 110.661 114.554 -0.259 0.000 2.975 253 T HA 0.192 4.542 4.350 -0.000 0.000 0.257 253 T C 0.836 175.508 174.700 -0.047 0.000 1.003 253 T CA -0.419 61.617 62.100 -0.106 0.000 0.932 253 T CB -0.014 68.804 68.868 -0.083 0.000 1.087 253 T HN 0.242 nan 8.240 nan 0.000 0.512 254 R N 1.400 121.864 120.500 -0.060 0.000 2.478 254 R HA 0.289 4.629 4.340 -0.000 0.000 0.281 254 R C 1.554 177.882 176.300 0.046 0.000 0.939 254 R CA 1.710 57.823 56.100 0.021 0.000 1.120 254 R CB -0.249 30.053 30.300 0.004 0.000 0.885 254 R HN 0.657 nan 8.270 nan 0.000 0.415 255 G N 1.886 110.739 108.800 0.088 0.000 3.597 255 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.202 255 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.202 255 G C 0.846 175.749 174.900 0.005 0.000 1.702 255 G CA 0.033 45.162 45.100 0.047 0.000 1.354 255 G HN 0.517 nan 8.290 nan 0.000 0.609 256 L N 0.728 121.958 121.223 0.012 0.000 2.113 256 L HA -0.182 4.158 4.340 -0.000 0.000 0.237 256 L C 1.251 178.113 176.870 -0.013 0.000 1.113 256 L CA 2.441 57.285 54.840 0.007 0.000 0.837 256 L CB -0.692 41.382 42.059 0.024 0.000 0.929 256 L HN 0.421 nan 8.230 nan 0.000 0.449 257 V N -1.369 118.534 119.914 -0.018 0.000 2.604 257 V HA 0.243 4.363 4.120 -0.000 0.000 0.305 257 V C -0.011 175.981 176.094 -0.170 0.000 1.043 257 V CA -0.686 61.583 62.300 -0.052 0.000 0.888 257 V CB 1.761 33.592 31.823 0.012 0.000 0.995 257 V HN 0.202 nan 8.190 nan 0.000 0.429 258 K N 2.605 122.810 120.400 -0.325 0.000 2.564 258 K HA 0.366 4.686 4.320 -0.000 0.000 0.201 258 K C 0.146 176.480 176.600 -0.443 0.000 1.086 258 K CA -0.340 55.455 56.287 -0.820 0.000 1.062 258 K CB 1.166 33.036 32.500 -1.050 0.000 0.849 258 K HN 0.565 nan 8.250 nan 0.000 0.529 259 R N 0.545 120.949 120.500 -0.161 0.000 2.538 259 R HA 0.523 4.863 4.340 -0.000 0.000 0.292 259 R C -1.302 175.074 176.300 0.126 0.000 1.008 259 R CA -0.515 55.556 56.100 -0.047 0.000 0.896 259 R CB 1.687 31.858 30.300 -0.214 0.000 1.187 259 R HN 0.202 nan 8.270 nan 0.000 0.440 260 G N 2.874 111.889 108.800 0.359 0.000 2.673 260 G HA2 0.395 4.355 3.960 -0.000 0.000 0.292 260 G HA3 0.395 4.355 3.960 -0.000 0.000 0.292 260 G C -1.809 173.276 174.900 0.308 0.000 1.450 260 G CA -0.789 44.528 45.100 0.363 0.000 0.837 260 G HN 0.519 nan 8.290 nan 0.000 0.505 261 M N 1.540 121.262 119.600 0.203 0.000 2.181 261 M HA 0.700 5.180 4.480 -0.000 0.000 0.323 261 M C -1.163 175.171 176.300 0.056 0.000 1.004 261 M CA -0.710 54.596 55.300 0.010 0.000 0.941 261 M CB 1.364 33.926 32.600 -0.063 0.000 1.579 261 M HN 0.427 nan 8.290 nan 0.000 0.427 262 M N 5.079 124.690 119.600 0.017 0.000 2.043 262 M HA 0.338 4.818 4.480 -0.000 0.000 0.322 262 M C -1.091 175.234 176.300 0.042 0.000 0.962 262 M CA -0.250 55.066 55.300 0.025 0.000 0.927 262 M CB 1.768 34.384 32.600 0.026 0.000 1.466 262 M HN 0.556 nan 8.290 nan 0.000 0.412 263 Q N 1.798 121.658 119.800 0.100 0.000 2.390 263 Q HA 0.376 4.716 4.340 -0.000 0.000 0.249 263 Q C -0.200 175.893 176.000 0.154 0.000 0.996 263 Q CA -0.494 55.429 55.803 0.200 0.000 0.899 263 Q CB 0.884 29.795 28.738 0.289 0.000 1.216 263 Q HN 0.811 nan 8.270 nan 0.000 0.465 264 S N 1.245 117.038 115.700 0.154 0.000 3.608 264 S HA -0.134 4.336 4.470 -0.000 0.000 0.382 264 S C 0.035 174.906 174.600 0.451 0.000 0.945 264 S CA 0.473 58.832 58.200 0.264 0.000 1.256 264 S CB -1.216 62.080 63.200 0.160 0.000 0.913 264 S HN 0.981 nan 8.310 nan 0.000 0.518 265 G N 0.602 109.609 108.800 0.344 0.000 2.455 265 G HA2 0.552 4.511 3.960 -0.000 0.000 0.298 265 G HA3 0.552 4.511 3.960 -0.000 0.000 0.298 265 G C -0.769 174.181 174.900 0.084 0.000 1.349 265 G CA 0.137 45.471 45.100 0.389 0.000 1.220 265 G HN 0.875 nan 8.290 nan 0.000 0.598 266 T N 0.648 115.147 114.554 -0.091 0.000 2.933 266 T HA 0.454 4.804 4.350 -0.000 0.000 0.305 266 T C 1.433 175.857 174.700 -0.461 0.000 1.092 266 T CA -0.889 61.024 62.100 -0.311 0.000 1.008 266 T CB 1.785 70.473 68.868 -0.301 0.000 1.102 266 T HN 0.192 nan 8.240 nan 0.000 0.469 267 M N 2.634 121.929 119.600 -0.507 0.000 2.108 267 M HA -0.155 4.325 4.480 -0.000 0.000 0.257 267 M C 2.279 178.371 176.300 -0.347 0.000 1.071 267 M CA 2.030 57.099 55.300 -0.386 0.000 1.093 267 M CB -1.491 30.898 32.600 -0.351 0.000 1.345 267 M HN 0.922 nan 8.290 nan 0.000 0.403 268 N N 1.084 119.536 118.700 -0.413 0.000 2.348 268 N HA -0.052 4.688 4.740 -0.000 0.000 0.185 268 N C 0.558 175.972 175.510 -0.160 0.000 1.019 268 N CA 0.921 53.806 53.050 -0.275 0.000 0.880 268 N CB -0.787 37.622 38.487 -0.130 0.000 0.965 268 N HN 0.266 nan 8.380 nan 0.000 0.437 269 A N 2.435 125.055 122.820 -0.333 0.000 2.555 269 A HA 0.106 4.426 4.320 -0.000 0.000 0.233 269 A C -0.713 176.564 177.584 -0.511 0.000 1.060 269 A CA -0.733 50.993 52.037 -0.518 0.000 0.759 269 A CB 0.079 18.522 19.000 -0.929 0.000 0.995 269 A HN 0.206 nan 8.150 nan 0.000 0.506 270 P HA -0.167 nan 4.420 nan 0.000 0.216 270 P C 1.202 178.254 177.300 -0.412 0.000 1.150 270 P CA 1.931 64.797 63.100 -0.390 0.000 0.837 270 P CB -0.186 31.305 31.700 -0.348 0.000 0.786 271 W N -0.776 120.391 121.300 -0.223 0.000 3.139 271 W HA 0.337 4.997 4.660 -0.000 0.000 0.260 271 W C 1.248 177.768 176.519 0.002 0.000 1.312 271 W CA 0.294 57.546 57.345 -0.155 0.000 1.606 271 W CB -1.436 27.910 29.460 -0.189 0.000 1.118 271 W HN -0.047 nan 8.180 nan 0.000 0.675 272 S N 0.728 115.960 115.700 -0.779 0.000 2.593 272 S HA -0.009 4.461 4.470 -0.000 0.000 0.217 272 S C 0.497 175.033 174.600 -0.106 0.000 0.966 272 S CA 0.068 57.980 58.200 -0.479 0.000 0.914 272 S CB -0.526 62.126 63.200 -0.914 0.000 0.776 272 S HN 0.438 nan 8.310 nan 0.000 0.523 273 H N -1.226 117.717 119.070 -0.211 0.000 2.990 273 H HA 0.663 5.218 4.556 -0.000 0.000 0.343 273 H C -1.160 174.089 175.328 -0.132 0.000 1.270 273 H CA -1.124 54.819 56.048 -0.175 0.000 1.118 273 H CB 1.095 30.754 29.762 -0.171 0.000 1.861 273 H HN 0.294 nan 8.280 nan 0.000 0.544 274 M N 1.872 121.443 119.600 -0.049 0.000 2.414 274 M HA 0.258 4.738 4.480 -0.000 0.000 0.287 274 M C -1.081 175.202 176.300 -0.028 0.000 1.181 274 M CA -0.388 54.862 55.300 -0.083 0.000 0.933 274 M CB 2.472 35.004 32.600 -0.113 0.000 1.732 274 M HN 0.934 nan 8.290 nan 0.000 0.486 275 T N 0.243 114.790 114.554 -0.011 0.000 2.860 275 T HA 0.153 4.503 4.350 -0.000 0.000 0.299 275 T C 0.882 175.565 174.700 -0.028 0.000 1.045 275 T CA 0.009 62.108 62.100 -0.001 0.000 1.071 275 T CB 1.294 70.172 68.868 0.017 0.000 0.985 275 T HN 0.726 nan 8.240 nan 0.000 0.537 276 S N 0.245 115.939 115.700 -0.010 0.000 2.383 276 S HA -0.126 4.344 4.470 -0.000 0.000 0.227 276 S C 1.762 176.442 174.600 0.133 0.000 1.026 276 S CA 1.361 59.583 58.200 0.036 0.000 0.981 276 S CB -0.630 62.679 63.200 0.182 0.000 0.818 276 S HN 0.771 nan 8.310 nan 0.000 0.472 277 E N 1.458 121.705 120.200 0.079 0.000 2.038 277 E HA -0.085 4.265 4.350 -0.000 0.000 0.195 277 E C 2.129 178.759 176.600 0.051 0.000 1.000 277 E CA 1.361 57.799 56.400 0.063 0.000 0.803 277 E CB -0.171 29.553 29.700 0.040 0.000 0.750 277 E HN 0.504 nan 8.360 nan 0.000 0.448 278 K N 0.041 120.459 120.400 0.031 0.000 2.283 278 K HA 0.049 4.369 4.320 -0.000 0.000 0.202 278 K C 1.989 178.604 176.600 0.025 0.000 1.048 278 K CA 0.808 57.105 56.287 0.017 0.000 0.948 278 K CB 0.004 32.502 32.500 -0.004 0.000 0.742 278 K HN 0.106 nan 8.250 nan 0.000 0.458 279 A N 0.903 123.750 122.820 0.046 0.000 1.897 279 A HA -0.072 4.247 4.320 -0.000 0.000 0.215 279 A C 2.309 179.959 177.584 0.110 0.000 1.181 279 A CA 0.997 53.077 52.037 0.072 0.000 0.620 279 A CB -0.394 18.635 19.000 0.049 0.000 0.821 279 A HN 0.039 nan 8.150 nan 0.000 0.443 280 V N 0.308 120.303 119.914 0.135 0.000 2.307 280 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 280 V C 2.363 178.467 176.094 0.016 0.000 1.045 280 V CA 2.199 64.534 62.300 0.059 0.000 1.024 280 V CB -0.933 30.913 31.823 0.039 0.000 0.651 280 V HN 0.624 nan 8.190 nan 0.000 0.449 281 E N 0.066 120.279 120.200 0.022 0.000 2.085 281 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 281 E C 2.124 178.725 176.600 0.002 0.000 0.994 281 E CA 1.648 58.053 56.400 0.008 0.000 0.801 281 E CB -0.227 29.480 29.700 0.012 0.000 0.743 281 E HN 0.570 nan 8.360 nan 0.000 0.453 282 I N 0.630 121.204 120.570 0.007 0.000 2.439 282 I HA -0.116 4.054 4.170 -0.000 0.000 0.251 282 I C 2.463 178.566 176.117 -0.022 0.000 1.139 282 I CA 0.766 62.066 61.300 -0.001 0.000 1.438 282 I CB -0.385 37.618 38.000 0.005 0.000 1.085 282 I HN 0.135 nan 8.210 nan 0.000 0.427 283 G N 1.323 110.107 108.800 -0.026 0.000 2.453 283 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.215 283 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.215 283 G C 1.685 176.533 174.900 -0.087 0.000 1.201 283 G CA 0.532 45.589 45.100 -0.072 0.000 0.784 283 G HN 0.283 nan 8.290 nan 0.000 0.545 284 K N 0.813 121.174 120.400 -0.065 0.000 2.074 284 K HA -0.059 4.261 4.320 -0.000 0.000 0.209 284 K C 2.919 179.491 176.600 -0.047 0.000 1.048 284 K CA 1.082 57.333 56.287 -0.061 0.000 0.926 284 K CB -0.325 32.149 32.500 -0.043 0.000 0.713 284 K HN 0.269 nan 8.250 nan 0.000 0.444 285 A N 1.784 124.585 122.820 -0.031 0.000 1.873 285 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 285 A C 2.186 179.756 177.584 -0.024 0.000 1.193 285 A CA 1.695 53.722 52.037 -0.016 0.000 0.629 285 A CB -0.768 18.231 19.000 -0.002 0.000 0.826 285 A HN 0.283 nan 8.150 nan 0.000 0.447 286 L N -0.024 121.173 121.223 -0.043 0.000 2.012 286 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 286 L C 2.235 179.070 176.870 -0.058 0.000 1.073 286 L CA 1.783 56.589 54.840 -0.056 0.000 0.748 286 L CB -0.425 41.574 42.059 -0.100 0.000 0.891 286 L HN 0.413 nan 8.230 nan 0.000 0.431 287 I N 0.226 120.747 120.570 -0.081 0.000 2.053 287 I HA -0.379 3.791 4.170 -0.000 0.000 0.236 287 I C 2.335 178.425 176.117 -0.046 0.000 1.038 287 I CA 1.880 63.133 61.300 -0.077 0.000 1.304 287 I CB -1.628 36.319 38.000 -0.090 0.000 1.023 287 I HN 0.430 nan 8.210 nan 0.000 0.395 288 N N 1.031 119.710 118.700 -0.036 0.000 2.036 288 N HA -0.215 4.525 4.740 -0.000 0.000 0.195 288 N C 1.527 177.032 175.510 -0.008 0.000 1.037 288 N CA 1.559 54.597 53.050 -0.020 0.000 0.855 288 N CB -0.651 37.828 38.487 -0.013 0.000 1.033 288 N HN 0.419 nan 8.380 nan 0.000 0.423 289 D N 0.305 120.702 120.400 -0.004 0.000 2.203 289 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 289 D C 0.966 177.273 176.300 0.012 0.000 0.997 289 D CA 0.844 54.850 54.000 0.010 0.000 0.863 289 D CB 0.033 40.842 40.800 0.016 0.000 0.928 289 D HN 0.298 nan 8.370 nan 0.000 0.458 290 C N 0.346 119.647 119.300 0.001 0.000 2.754 290 C HA 0.141 4.601 4.460 -0.000 0.000 0.276 290 C C 0.116 175.108 174.990 0.003 0.000 1.264 290 C CA -0.526 58.497 59.018 0.009 0.000 1.700 290 C CB -1.470 26.276 27.740 0.010 0.000 1.885 290 C HN 0.311 nan 8.230 nan 0.000 0.607 291 N N -0.942 117.756 118.700 -0.003 0.000 2.590 291 N HA -0.157 4.583 4.740 -0.000 0.000 0.273 291 N C -0.492 175.004 175.510 -0.023 0.000 1.210 291 N CA 0.654 53.700 53.050 -0.006 0.000 0.676 291 N CB -1.423 37.065 38.487 0.002 0.000 0.881 291 N HN 0.538 nan 8.380 nan 0.000 0.550 292 c N 0.924 119.503 118.600 -0.036 0.000 3.905 292 c HA 0.151 4.721 4.570 -0.000 0.000 0.330 292 c C -0.309 173.743 174.090 -0.063 0.000 2.776 292 c CA -0.833 55.456 56.329 -0.068 0.000 1.565 292 c CB -0.806 41.655 42.510 -0.082 0.000 3.175 292 c HN 0.789 nan 8.230 nan 0.000 0.359 293 N N 1.103 119.783 118.700 -0.033 0.000 2.650 293 N HA -0.206 4.534 4.740 -0.000 0.000 0.300 293 N C 0.854 176.343 175.510 -0.035 0.000 1.197 293 N CA 0.878 53.915 53.050 -0.022 0.000 0.746 293 N CB -0.343 38.144 38.487 -0.001 0.000 0.976 293 N HN 0.787 nan 8.380 nan 0.000 0.558 294 A N 1.303 124.100 122.820 -0.039 0.000 2.259 294 A HA -0.112 4.208 4.320 -0.000 0.000 0.212 294 A C 2.070 179.628 177.584 -0.042 0.000 1.178 294 A CA 1.252 53.258 52.037 -0.051 0.000 0.734 294 A CB -0.300 18.670 19.000 -0.050 0.000 0.774 294 A HN 0.801 nan 8.150 nan 0.000 0.481 295 S N -1.260 114.424 115.700 -0.027 0.000 2.481 295 S HA -0.006 4.464 4.470 -0.000 0.000 0.231 295 S C 1.574 176.160 174.600 -0.023 0.000 0.996 295 S CA 1.199 59.387 58.200 -0.021 0.000 0.942 295 S CB -0.411 62.783 63.200 -0.010 0.000 0.768 295 S HN 0.516 nan 8.310 nan 0.000 0.520 296 M N 0.627 120.214 119.600 -0.023 0.000 2.495 296 M HA 0.361 4.841 4.480 -0.000 0.000 0.237 296 M C 1.371 177.635 176.300 -0.060 0.000 1.131 296 M CA 0.065 55.352 55.300 -0.021 0.000 1.032 296 M CB -0.251 32.365 32.600 0.025 0.000 1.513 296 M HN 0.293 nan 8.290 nan 0.000 0.488 297 L N 0.249 121.426 121.223 -0.078 0.000 2.064 297 L HA -0.309 4.031 4.340 -0.000 0.000 0.216 297 L C 2.464 179.251 176.870 -0.138 0.000 1.077 297 L CA 1.380 56.150 54.840 -0.117 0.000 0.766 297 L CB -0.665 41.333 42.059 -0.101 0.000 0.890 297 L HN 0.280 nan 8.230 nan 0.000 0.435 298 K N -0.143 120.202 120.400 -0.092 0.000 2.099 298 K HA -0.080 4.239 4.320 -0.000 0.000 0.203 298 K C 2.028 178.581 176.600 -0.079 0.000 1.047 298 K CA 1.769 58.008 56.287 -0.079 0.000 0.963 298 K CB -0.615 31.861 32.500 -0.040 0.000 0.759 298 K HN 0.397 nan 8.250 nan 0.000 0.451 299 T N -0.915 113.604 114.554 -0.059 0.000 2.564 299 T HA -0.094 4.256 4.350 -0.000 0.000 0.259 299 T C 0.985 175.645 174.700 -0.068 0.000 1.087 299 T CA 1.156 63.230 62.100 -0.044 0.000 1.184 299 T CB -0.573 68.279 68.868 -0.027 0.000 0.864 299 T HN 0.148 nan 8.240 nan 0.000 0.403 300 N N 2.098 120.755 118.700 -0.072 0.000 2.898 300 N HA 0.350 5.090 4.740 -0.000 0.000 0.245 300 N C -2.399 173.028 175.510 -0.139 0.000 1.185 300 N CA -2.046 50.957 53.050 -0.079 0.000 0.879 300 N CB 1.653 40.133 38.487 -0.012 0.000 1.157 300 N HN 0.135 nan 8.380 nan 0.000 0.503 301 P HA -0.070 nan 4.420 nan 0.000 0.213 301 P C 1.147 178.272 177.300 -0.292 0.000 1.170 301 P CA 1.409 64.225 63.100 -0.474 0.000 0.893 301 P CB 0.253 31.276 31.700 -1.127 0.000 0.784 302 A N -0.715 121.943 122.820 -0.271 0.000 2.009 302 A HA -0.328 3.992 4.320 -0.000 0.000 0.222 302 A C 2.333 179.953 177.584 0.061 0.000 1.175 302 A CA 2.090 54.130 52.037 0.006 0.000 0.651 302 A CB -1.982 17.100 19.000 0.137 0.000 0.815 302 A HN 0.320 nan 8.150 nan 0.000 0.459 303 H N -0.276 118.760 119.070 -0.056 0.000 2.333 303 H HA -0.091 4.465 4.556 -0.000 0.000 0.302 303 H C 2.232 177.544 175.328 -0.026 0.000 1.075 303 H CA 2.208 58.239 56.048 -0.029 0.000 1.348 303 H CB 0.023 29.765 29.762 -0.033 0.000 1.393 303 H HN 0.412 nan 8.280 nan 0.000 0.509 304 V N -0.480 119.345 119.914 -0.149 0.000 2.295 304 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 304 V C 2.517 178.536 176.094 -0.124 0.000 1.049 304 V CA 1.452 63.636 62.300 -0.195 0.000 1.024 304 V CB -0.733 31.013 31.823 -0.128 0.000 0.648 304 V HN 0.252 nan 8.190 nan 0.000 0.447 305 M N 2.314 121.873 119.600 -0.069 0.000 2.080 305 M HA -0.129 4.351 4.480 -0.000 0.000 0.260 305 M C 2.677 179.004 176.300 0.045 0.000 1.068 305 M CA 2.595 57.900 55.300 0.010 0.000 1.109 305 M CB -1.793 30.828 32.600 0.036 0.000 1.342 305 M HN 0.820 nan 8.290 nan 0.000 0.405 306 S N -0.642 115.070 115.700 0.019 0.000 2.419 306 S HA -0.170 4.300 4.470 -0.000 0.000 0.235 306 S C 2.313 176.911 174.600 -0.005 0.000 1.019 306 S CA 1.373 59.591 58.200 0.029 0.000 0.982 306 S CB -1.427 61.804 63.200 0.051 0.000 0.789 306 S HN 0.603 nan 8.310 nan 0.000 0.490 307 c N 1.470 120.023 118.600 -0.078 0.000 2.466 307 c HA 0.171 4.741 4.570 -0.000 0.000 0.278 307 c C 2.753 176.839 174.090 -0.007 0.000 1.288 307 c CA 0.720 56.991 56.329 -0.096 0.000 1.722 307 c CB -1.267 41.115 42.510 -0.212 0.000 2.017 307 c HN 0.574 nan 8.230 nan 0.000 0.488 308 M N 0.320 119.946 119.600 0.043 0.000 2.296 308 M HA -0.043 4.437 4.480 -0.000 0.000 0.265 308 M C 2.077 178.500 176.300 0.205 0.000 1.064 308 M CA 1.424 56.821 55.300 0.162 0.000 1.109 308 M CB -0.968 31.778 32.600 0.243 0.000 1.396 308 M HN 0.481 nan 8.290 nan 0.000 0.430 309 R N -1.071 119.505 120.500 0.127 0.000 2.276 309 R HA 0.085 4.425 4.340 -0.000 0.000 0.196 309 R C 2.154 178.470 176.300 0.026 0.000 0.961 309 R CA 0.487 56.608 56.100 0.037 0.000 1.024 309 R CB -0.006 30.308 30.300 0.023 0.000 0.940 309 R HN 0.217 nan 8.270 nan 0.000 0.480 310 S N 0.671 116.392 115.700 0.036 0.000 2.388 310 S HA -0.009 4.461 4.470 -0.000 0.000 0.223 310 S C 1.053 175.673 174.600 0.033 0.000 1.034 310 S CA 0.341 58.557 58.200 0.027 0.000 0.963 310 S CB 0.019 63.230 63.200 0.017 0.000 0.827 310 S HN 0.248 nan 8.310 nan 0.000 0.481 311 V N 2.643 122.584 119.914 0.045 0.000 2.763 311 V HA 0.180 4.300 4.120 -0.000 0.000 0.306 311 V C -0.534 175.600 176.094 0.066 0.000 1.059 311 V CA -0.949 61.382 62.300 0.052 0.000 1.138 311 V CB -0.205 31.654 31.823 0.060 0.000 0.940 311 V HN 0.131 nan 8.190 nan 0.000 0.489 312 D N 3.443 123.881 120.400 0.064 0.000 2.400 312 D HA 0.441 5.081 4.640 -0.000 0.000 0.238 312 D C 1.212 177.586 176.300 0.124 0.000 1.157 312 D CA 0.653 54.697 54.000 0.074 0.000 0.889 312 D CB 1.091 41.925 40.800 0.058 0.000 1.199 312 D HN 0.861 nan 8.370 nan 0.000 0.436 313 A N 2.171 125.081 122.820 0.151 0.000 1.940 313 A HA -0.219 4.100 4.320 -0.000 0.000 0.219 313 A C 1.991 179.749 177.584 0.290 0.000 1.176 313 A CA 1.197 53.406 52.037 0.288 0.000 0.631 313 A CB -0.291 18.803 19.000 0.158 0.000 0.814 313 A HN 0.343 nan 8.150 nan 0.000 0.446 314 K N -0.466 120.032 120.400 0.164 0.000 2.097 314 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 314 K C 2.081 178.766 176.600 0.142 0.000 1.049 314 K CA 1.784 58.156 56.287 0.142 0.000 0.933 314 K CB -0.787 31.763 32.500 0.084 0.000 0.717 314 K HN 0.535 nan 8.250 nan 0.000 0.442 315 T N 1.757 116.382 114.554 0.119 0.000 2.708 315 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 315 T C 2.031 176.791 174.700 0.100 0.000 1.037 315 T CA 1.350 63.507 62.100 0.094 0.000 1.146 315 T CB -0.137 68.775 68.868 0.073 0.000 0.865 315 T HN 0.160 nan 8.240 nan 0.000 0.435 316 I N 0.977 121.613 120.570 0.109 0.000 2.226 316 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 316 I C 2.795 178.944 176.117 0.054 0.000 1.100 316 I CA 0.954 62.271 61.300 0.028 0.000 1.374 316 I CB -0.452 37.488 38.000 -0.100 0.000 1.057 316 I HN 0.244 nan 8.210 nan 0.000 0.413 317 S N 0.342 116.182 115.700 0.233 0.000 2.383 317 S HA -0.143 4.327 4.470 -0.000 0.000 0.229 317 S C 1.947 176.723 174.600 0.293 0.000 1.030 317 S CA 1.562 59.956 58.200 0.323 0.000 1.002 317 S CB -0.122 63.287 63.200 0.348 0.000 0.829 317 S HN 0.250 nan 8.310 nan 0.000 0.467 318 V N 1.374 121.423 119.914 0.225 0.000 2.374 318 V HA 0.007 4.127 4.120 -0.000 0.000 0.241 318 V C 2.600 178.826 176.094 0.220 0.000 1.034 318 V CA 1.106 63.549 62.300 0.239 0.000 1.037 318 V CB -0.611 31.298 31.823 0.142 0.000 0.682 318 V HN 0.383 nan 8.190 nan 0.000 0.463 319 Q N 0.851 120.730 119.800 0.131 0.000 2.234 319 Q HA -0.267 4.073 4.340 -0.000 0.000 0.206 319 Q C 2.255 178.300 176.000 0.075 0.000 0.980 319 Q CA 1.929 57.789 55.803 0.095 0.000 0.869 319 Q CB -0.545 28.225 28.738 0.053 0.000 0.912 319 Q HN 0.933 nan 8.270 nan 0.000 0.436 320 Q N -1.398 118.417 119.800 0.024 0.000 2.167 320 Q HA -0.156 4.183 4.340 -0.000 0.000 0.202 320 Q C 1.450 177.407 176.000 -0.071 0.000 0.970 320 Q CA 1.131 56.884 55.803 -0.083 0.000 0.855 320 Q CB -0.686 27.926 28.738 -0.210 0.000 0.911 320 Q HN 0.361 nan 8.270 nan 0.000 0.438 321 W N 1.445 122.797 121.300 0.087 0.000 2.611 321 W HA 0.013 4.673 4.660 -0.000 0.000 0.251 321 W C 1.318 177.926 176.519 0.149 0.000 1.265 321 W CA 0.509 57.922 57.345 0.113 0.000 1.295 321 W CB 0.031 29.525 29.460 0.058 0.000 1.129 321 W HN 0.274 nan 8.180 nan 0.000 0.630 322 N N -0.362 118.511 118.700 0.288 0.000 2.223 322 N HA -0.142 4.598 4.740 -0.000 0.000 0.185 322 N C 1.489 177.122 175.510 0.204 0.000 1.016 322 N CA 1.556 54.737 53.050 0.219 0.000 0.863 322 N CB -0.667 37.899 38.487 0.133 0.000 0.983 322 N HN -0.145 nan 8.380 nan 0.000 0.429 323 S N -0.433 115.368 115.700 0.168 0.000 2.660 323 S HA -0.069 4.401 4.470 -0.000 0.000 0.228 323 S C -0.028 174.689 174.600 0.196 0.000 0.966 323 S CA -0.087 58.190 58.200 0.129 0.000 0.940 323 S CB -0.518 62.720 63.200 0.063 0.000 0.773 323 S HN 0.379 nan 8.310 nan 0.000 0.535 324 Y N 3.247 123.652 120.300 0.175 0.000 2.627 324 Y HA 0.279 4.828 4.550 -0.000 0.000 0.347 324 Y C 1.279 177.264 175.900 0.141 0.000 1.099 324 Y CA -1.147 57.088 58.100 0.225 0.000 1.408 324 Y CB -0.151 38.612 38.460 0.506 0.000 1.247 324 Y HN 0.195 nan 8.280 nan 0.000 0.506 325 S N 2.769 118.352 115.700 -0.195 0.000 2.303 325 S HA 0.274 4.744 4.470 -0.000 0.000 0.207 325 S C 1.115 175.495 174.600 -0.368 0.000 1.025 325 S CA 0.367 58.447 58.200 -0.201 0.000 0.953 325 S CB -0.818 62.312 63.200 -0.116 0.000 0.932 325 S HN 0.676 nan 8.310 nan 0.000 0.472 326 G N 1.065 109.615 108.800 -0.415 0.000 2.531 326 G HA2 0.609 4.569 3.960 -0.000 0.000 0.313 326 G HA3 0.609 4.569 3.960 -0.000 0.000 0.313 326 G C -0.303 174.235 174.900 -0.604 0.000 1.238 326 G CA -0.935 43.933 45.100 -0.386 0.000 0.994 326 G HN 0.830 nan 8.290 nan 0.000 0.493 327 I N -1.383 118.963 120.570 -0.374 0.000 2.529 327 I HA 0.352 4.522 4.170 -0.000 0.000 0.284 327 I C 0.565 176.333 176.117 -0.581 0.000 1.082 327 I CA -0.255 60.853 61.300 -0.321 0.000 1.406 327 I CB 0.409 38.357 38.000 -0.088 0.000 1.405 327 I HN 0.622 nan 8.210 nan 0.000 0.548 328 L N 4.441 125.283 121.223 -0.634 0.000 3.717 328 L HA -0.197 4.143 4.340 -0.000 0.000 0.411 328 L C 0.255 176.579 176.870 -0.911 0.000 1.233 328 L CA 0.836 55.021 54.840 -1.093 0.000 0.917 328 L CB -1.740 39.402 42.059 -1.529 0.000 1.902 328 L HN 0.915 nan 8.230 nan 0.000 0.894 329 S N 0.026 115.264 115.700 -0.769 0.000 2.112 329 S HA 0.524 4.994 4.470 -0.000 0.000 0.151 329 S C -0.001 174.465 174.600 -0.222 0.000 1.723 329 S CA -0.655 57.291 58.200 -0.424 0.000 1.263 329 S CB 0.049 63.070 63.200 -0.299 0.000 1.194 329 S HN 0.198 nan 8.310 nan 0.000 0.419 330 F N 2.930 123.029 119.950 0.249 0.000 2.506 330 F HA 0.323 4.849 4.527 -0.000 0.000 0.351 330 F C -0.642 175.210 175.800 0.086 0.000 1.136 330 F CA -1.914 56.237 58.000 0.252 0.000 1.298 330 F CB 0.025 39.144 39.000 0.198 0.000 1.145 330 F HN 0.269 nan 8.300 nan 0.000 0.593 331 P HA -0.069 nan 4.420 nan 0.000 0.223 331 P C -0.177 177.129 177.300 0.009 0.000 1.151 331 P CA 0.789 63.920 63.100 0.052 0.000 0.787 331 P CB 0.135 31.823 31.700 -0.021 0.000 0.788 332 S N -0.756 114.943 115.700 -0.002 0.000 2.456 332 S HA 0.761 5.231 4.470 -0.000 0.000 0.316 332 S C -0.264 174.121 174.600 -0.358 0.000 1.089 332 S CA -0.654 57.466 58.200 -0.133 0.000 1.101 332 S CB 2.046 65.225 63.200 -0.035 0.000 0.995 332 S HN 0.266 nan 8.310 nan 0.000 0.468 333 A N 3.598 126.040 122.820 -0.629 0.000 2.504 333 A HA 0.948 5.267 4.320 -0.000 0.000 0.285 333 A C -2.356 174.531 177.584 -1.162 0.000 1.261 333 A CA -1.958 49.580 52.037 -0.831 0.000 0.741 333 A CB 0.086 18.917 19.000 -0.282 0.000 1.327 333 A HN 0.529 nan 8.150 nan 0.000 0.441 334 P HA 0.013 nan 4.420 nan 0.000 0.218 334 P C -0.067 177.168 177.300 -0.108 0.000 1.149 334 P CA 1.770 64.635 63.100 -0.392 0.000 0.817 334 P CB -0.383 31.213 31.700 -0.174 0.000 0.785 335 T N -0.156 114.317 114.554 -0.135 0.000 0.546 335 T HA -0.206 4.144 4.350 -0.000 0.000 0.773 335 T C 0.219 174.868 174.700 -0.084 0.000 0.992 335 T CA 0.097 62.119 62.100 -0.131 0.000 4.074 335 T CB -1.291 67.439 68.868 -0.230 0.000 2.301 335 T HN 0.102 nan 8.240 nan 0.000 0.397 336 I N 3.757 124.280 120.570 -0.077 0.000 2.349 336 I HA 0.095 4.265 4.170 -0.000 0.000 0.302 336 I C 1.159 177.265 176.117 -0.018 0.000 1.180 336 I CA 0.004 61.290 61.300 -0.024 0.000 1.405 336 I CB 0.115 38.111 38.000 -0.007 0.000 1.474 336 I HN 0.676 nan 8.210 nan 0.000 0.632 337 D N 3.048 123.470 120.400 0.037 0.000 2.349 337 D HA 0.095 4.734 4.640 -0.000 0.000 0.214 337 D C 1.503 177.899 176.300 0.159 0.000 1.063 337 D CA 0.243 54.323 54.000 0.134 0.000 0.847 337 D CB 0.428 41.359 40.800 0.218 0.000 0.933 337 D HN 0.569 nan 8.370 nan 0.000 0.513 338 G N -0.362 108.503 108.800 0.109 0.000 2.196 338 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.268 338 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.268 338 G C 0.922 175.891 174.900 0.115 0.000 0.975 338 G CA 0.833 45.989 45.100 0.094 0.000 0.648 338 G HN 0.813 nan 8.290 nan 0.000 0.538 339 A N -0.843 122.081 122.820 0.174 0.000 2.213 339 A HA 0.731 5.051 4.320 -0.000 0.000 0.220 339 A C 1.669 179.355 177.584 0.170 0.000 2.232 339 A CA 1.194 53.370 52.037 0.231 0.000 1.017 339 A CB -0.423 18.814 19.000 0.395 0.000 1.372 339 A HN 0.682 nan 8.150 nan 0.000 0.614 340 F N 0.048 120.042 119.950 0.072 0.000 2.113 340 F HA 0.248 4.775 4.527 -0.000 0.000 0.297 340 F C 0.727 176.465 175.800 -0.103 0.000 1.103 340 F CA 1.207 59.106 58.000 -0.170 0.000 1.248 340 F CB 0.217 38.973 39.000 -0.406 0.000 0.999 340 F HN 0.074 nan 8.300 nan 0.000 0.475 341 L N 1.044 122.347 121.223 0.133 0.000 2.371 341 L HA 0.236 4.575 4.340 -0.000 0.000 0.262 341 L C -1.897 174.990 176.870 0.029 0.000 1.054 341 L CA -1.826 53.044 54.840 0.050 0.000 0.924 341 L CB 0.996 43.099 42.059 0.074 0.000 1.295 341 L HN -0.088 nan 8.230 nan 0.000 0.441 342 P HA -0.095 nan 4.420 nan 0.000 0.213 342 P C 0.210 177.511 177.300 0.002 0.000 1.170 342 P CA 0.955 64.059 63.100 0.007 0.000 0.898 342 P CB 0.380 32.072 31.700 -0.014 0.000 0.787 343 A N -1.414 121.395 122.820 -0.018 0.000 2.464 343 A HA 0.469 4.789 4.320 -0.000 0.000 0.268 343 A C -0.569 176.987 177.584 -0.047 0.000 1.244 343 A CA -0.395 51.627 52.037 -0.024 0.000 0.871 343 A CB -0.149 18.835 19.000 -0.026 0.000 1.400 343 A HN -0.013 nan 8.150 nan 0.000 0.455 344 D N -0.754 119.609 120.400 -0.063 0.000 2.399 344 D HA 0.265 4.905 4.640 -0.000 0.000 0.241 344 D C -1.755 174.455 176.300 -0.150 0.000 1.133 344 D CA -1.541 52.386 54.000 -0.123 0.000 0.890 344 D CB 0.945 41.676 40.800 -0.114 0.000 1.201 344 D HN 0.020 nan 8.370 nan 0.000 0.432 345 P HA -0.154 nan 4.420 nan 0.000 0.218 345 P C 1.102 178.364 177.300 -0.063 0.000 1.146 345 P CA 1.432 64.411 63.100 -0.202 0.000 0.820 345 P CB 0.154 31.622 31.700 -0.385 0.000 0.778 346 M N -2.501 117.048 119.600 -0.086 0.000 2.516 346 M HA 0.066 4.546 4.480 -0.000 0.000 0.259 346 M C 1.634 177.921 176.300 -0.022 0.000 1.146 346 M CA 1.344 56.635 55.300 -0.015 0.000 1.122 346 M CB -1.627 30.957 32.600 -0.026 0.000 1.341 346 M HN 0.016 nan 8.290 nan 0.000 0.478 347 T N -2.094 112.436 114.554 -0.041 0.000 3.088 347 T HA 0.156 4.506 4.350 -0.000 0.000 0.259 347 T C 1.831 176.512 174.700 -0.032 0.000 1.122 347 T CA 0.375 62.456 62.100 -0.033 0.000 1.095 347 T CB -0.284 68.564 68.868 -0.033 0.000 0.930 347 T HN 0.253 nan 8.240 nan 0.000 0.508 348 L N -0.225 120.980 121.223 -0.031 0.000 2.131 348 L HA 0.145 4.485 4.340 -0.000 0.000 0.206 348 L C 2.835 179.683 176.870 -0.037 0.000 1.087 348 L CA 0.682 55.502 54.840 -0.033 0.000 0.767 348 L CB -0.506 41.536 42.059 -0.029 0.000 0.917 348 L HN 0.184 nan 8.230 nan 0.000 0.441 349 M N -0.052 119.532 119.600 -0.027 0.000 2.254 349 M HA -0.125 4.355 4.480 -0.000 0.000 0.265 349 M C 2.122 178.386 176.300 -0.060 0.000 1.066 349 M CA 1.457 56.722 55.300 -0.057 0.000 1.123 349 M CB -0.763 31.797 32.600 -0.067 0.000 1.388 349 M HN 0.180 nan 8.290 nan 0.000 0.425 350 K N 0.232 120.605 120.400 -0.045 0.000 2.113 350 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 350 K C 1.186 177.760 176.600 -0.044 0.000 1.047 350 K CA 1.844 58.107 56.287 -0.041 0.000 0.928 350 K CB -0.529 31.953 32.500 -0.031 0.000 0.716 350 K HN 0.468 nan 8.250 nan 0.000 0.446 351 T N -1.926 112.600 114.554 -0.046 0.000 3.313 351 T HA 0.569 4.919 4.350 -0.000 0.000 0.263 351 T C -0.281 174.384 174.700 -0.057 0.000 0.983 351 T CA -0.783 61.291 62.100 -0.044 0.000 0.963 351 T CB 0.682 69.529 68.868 -0.035 0.000 1.141 351 T HN 0.126 nan 8.240 nan 0.000 0.526 352 A N 0.623 123.398 122.820 -0.075 0.000 2.317 352 A HA 0.706 5.026 4.320 -0.000 0.000 0.327 352 A C -0.806 176.716 177.584 -0.103 0.000 1.178 352 A CA -0.693 51.282 52.037 -0.103 0.000 0.817 352 A CB 1.136 20.056 19.000 -0.133 0.000 1.189 352 A HN 0.371 nan 8.150 nan 0.000 0.489 353 D N 2.232 122.570 120.400 -0.103 0.000 2.438 353 D HA 0.421 5.061 4.640 -0.000 0.000 0.257 353 D C -0.269 175.969 176.300 -0.103 0.000 1.148 353 D CA -0.090 53.862 54.000 -0.080 0.000 0.902 353 D CB 0.591 41.368 40.800 -0.038 0.000 1.062 353 D HN 0.371 nan 8.370 nan 0.000 0.518 354 L N 3.355 124.482 121.223 -0.161 0.000 2.939 354 L HA 0.225 4.565 4.340 -0.000 0.000 0.239 354 L C 2.125 179.040 176.870 0.075 0.000 1.325 354 L CA -0.162 54.548 54.840 -0.217 0.000 1.170 354 L CB -0.140 41.697 42.059 -0.370 0.000 1.538 354 L HN 0.284 nan 8.230 nan 0.000 0.452 355 K N 0.752 121.202 120.400 0.082 0.000 2.103 355 K HA -0.162 4.157 4.320 -0.000 0.000 0.207 355 K C 0.587 177.273 176.600 0.144 0.000 1.048 355 K CA 1.412 57.755 56.287 0.094 0.000 0.930 355 K CB 0.269 32.804 32.500 0.058 0.000 0.716 355 K HN 0.431 nan 8.250 nan 0.000 0.444 356 D N -0.197 120.333 120.400 0.217 0.000 2.358 356 D HA 0.003 4.643 4.640 -0.000 0.000 0.224 356 D C -0.669 175.709 176.300 0.130 0.000 1.123 356 D CA 0.168 54.255 54.000 0.144 0.000 0.833 356 D CB -0.012 40.835 40.800 0.078 0.000 0.946 356 D HN 0.103 nan 8.370 nan 0.000 0.505 357 Y N 1.199 121.519 120.300 0.033 0.000 2.323 357 Y HA 0.247 4.797 4.550 -0.000 0.000 0.331 357 Y C 0.487 176.438 175.900 0.087 0.000 1.092 357 Y CA -0.766 57.367 58.100 0.054 0.000 1.150 357 Y CB 1.143 39.635 38.460 0.053 0.000 1.200 357 Y HN -0.227 nan 8.280 nan 0.000 0.472 358 D N 4.367 124.877 120.400 0.184 0.000 2.425 358 D HA 0.383 5.022 4.640 -0.000 0.000 0.240 358 D C -0.970 175.602 176.300 0.452 0.000 1.080 358 D CA -0.176 53.982 54.000 0.264 0.000 0.836 358 D CB 1.942 42.802 40.800 0.100 0.000 1.125 358 D HN 0.259 nan 8.370 nan 0.000 0.525 359 I N 2.097 122.898 120.570 0.384 0.000 2.433 359 I HA 0.270 4.440 4.170 -0.000 0.000 0.292 359 I C -0.767 175.354 176.117 0.006 0.000 1.001 359 I CA -0.845 60.608 61.300 0.254 0.000 1.119 359 I CB 1.980 40.087 38.000 0.179 0.000 1.289 359 I HN 0.155 nan 8.210 nan 0.000 0.438 360 L N 8.468 129.466 121.223 -0.373 0.000 2.342 360 L HA 0.794 5.134 4.340 -0.000 0.000 0.276 360 L C -0.679 176.048 176.870 -0.240 0.000 0.997 360 L CA -0.298 54.217 54.840 -0.543 0.000 0.838 360 L CB 0.796 42.045 42.059 -1.351 0.000 1.224 360 L HN 0.675 nan 8.230 nan 0.000 0.416 361 M N 3.026 122.511 119.600 -0.193 0.000 2.664 361 M HA 1.036 5.516 4.480 -0.000 0.000 0.279 361 M C -0.524 175.156 176.300 -1.033 0.000 1.275 361 M CA -0.378 54.707 55.300 -0.358 0.000 0.829 361 M CB 2.110 34.520 32.600 -0.315 0.000 1.727 361 M HN 0.619 nan 8.290 nan 0.000 0.459 362 G N 0.497 108.561 108.800 -1.227 0.000 2.427 362 G HA2 0.492 4.452 3.960 -0.000 0.000 0.306 362 G HA3 0.492 4.452 3.960 -0.000 0.000 0.306 362 G C -2.255 172.313 174.900 -0.553 0.000 1.280 362 G CA -0.703 43.423 45.100 -1.624 0.000 0.837 362 G HN 0.818 nan 8.290 nan 0.000 0.482 363 N N -1.420 117.235 118.700 -0.075 0.000 2.647 363 N HA 0.664 5.404 4.740 -0.000 0.000 0.266 363 N C -0.631 175.074 175.510 0.325 0.000 1.373 363 N CA -0.276 52.925 53.050 0.252 0.000 0.807 363 N CB 2.396 41.105 38.487 0.371 0.000 1.513 363 N HN 0.955 nan 8.380 nan 0.000 0.505 364 V N -1.421 118.620 119.914 0.211 0.000 2.975 364 V HA 0.487 4.607 4.120 -0.000 0.000 0.318 364 V C 1.575 177.582 176.094 -0.146 0.000 1.077 364 V CA -0.706 61.650 62.300 0.094 0.000 1.000 364 V CB 2.055 34.010 31.823 0.220 0.000 1.066 364 V HN 0.744 nan 8.190 nan 0.000 0.452 365 R N -0.097 120.198 120.500 -0.341 0.000 2.159 365 R HA -0.056 4.284 4.340 -0.000 0.000 0.237 365 R C -0.020 176.305 176.300 0.043 0.000 1.131 365 R CA 1.809 57.773 56.100 -0.227 0.000 0.982 365 R CB 0.109 30.288 30.300 -0.201 0.000 0.868 365 R HN 0.931 nan 8.270 nan 0.000 0.453 366 D N 0.331 120.744 120.400 0.022 0.000 2.772 366 D HA 0.047 4.687 4.640 -0.000 0.000 0.326 366 D C 0.177 176.481 176.300 0.007 0.000 1.207 366 D CA -0.204 53.820 54.000 0.039 0.000 0.777 366 D CB 1.143 41.940 40.800 -0.005 0.000 1.169 366 D HN 0.098 nan 8.370 nan 0.000 0.506 367 E N 0.917 121.148 120.200 0.052 0.000 2.035 367 E HA -0.172 4.178 4.350 -0.000 0.000 0.204 367 E C 1.973 178.512 176.600 -0.102 0.000 1.025 367 E CA 1.313 57.691 56.400 -0.037 0.000 0.835 367 E CB -0.142 29.582 29.700 0.040 0.000 0.764 367 E HN 0.425 nan 8.360 nan 0.000 0.457 368 G N 1.110 109.944 108.800 0.057 0.000 2.679 368 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.212 368 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.212 368 G C 1.584 176.448 174.900 -0.060 0.000 1.137 368 G CA 1.355 46.498 45.100 0.073 0.000 0.787 368 G HN 0.365 nan 8.290 nan 0.000 0.534 369 T N 0.436 114.915 114.554 -0.126 0.000 2.544 369 T HA -0.390 3.960 4.350 -0.000 0.000 0.264 369 T C 2.208 176.764 174.700 -0.241 0.000 1.096 369 T CA 1.761 63.751 62.100 -0.183 0.000 1.181 369 T CB -0.877 67.805 68.868 -0.310 0.000 0.864 369 T HN 0.592 nan 8.240 nan 0.000 0.415 370 Y N 1.523 121.554 120.300 -0.449 0.000 2.333 370 Y HA 0.115 4.665 4.550 -0.000 0.000 0.290 370 Y C 1.844 177.575 175.900 -0.280 0.000 1.144 370 Y CA -0.012 57.794 58.100 -0.490 0.000 1.228 370 Y CB -1.277 36.677 38.460 -0.844 0.000 0.985 370 Y HN 0.189 nan 8.280 nan 0.000 0.542 371 F N -0.057 119.597 119.950 -0.493 0.000 2.325 371 F HA -0.045 4.481 4.527 -0.000 0.000 0.299 371 F C 2.122 177.904 175.800 -0.031 0.000 1.090 371 F CA 0.985 58.794 58.000 -0.319 0.000 1.392 371 F CB -0.520 38.187 39.000 -0.489 0.000 1.053 371 F HN 0.279 nan 8.300 nan 0.000 0.521 372 L N -0.369 120.923 121.223 0.115 0.000 2.127 372 L HA -0.010 4.330 4.340 -0.000 0.000 0.203 372 L C 2.152 179.140 176.870 0.196 0.000 1.080 372 L CA 1.279 56.172 54.840 0.089 0.000 0.768 372 L CB -0.807 41.157 42.059 -0.158 0.000 0.924 372 L HN 0.182 nan 8.230 nan 0.000 0.444 373 L N -1.594 119.741 121.223 0.188 0.000 2.012 373 L HA -0.275 4.064 4.340 -0.000 0.000 0.210 373 L C 2.385 179.464 176.870 0.350 0.000 1.073 373 L CA 1.713 56.760 54.840 0.344 0.000 0.748 373 L CB -0.399 41.858 42.059 0.328 0.000 0.891 373 L HN 0.265 nan 8.230 nan 0.000 0.431 374 Y N 0.487 120.892 120.300 0.175 0.000 2.163 374 Y HA -0.250 4.300 4.550 -0.000 0.000 0.288 374 Y C 2.169 178.095 175.900 0.043 0.000 1.136 374 Y CA 1.968 60.071 58.100 0.004 0.000 1.147 374 Y CB -0.405 37.967 38.460 -0.146 0.000 0.987 374 Y HN 0.323 nan 8.280 nan 0.000 0.509 375 D N -1.528 119.077 120.400 0.341 0.000 2.363 375 D HA -0.035 4.605 4.640 -0.000 0.000 0.220 375 D C -0.338 175.861 176.300 -0.170 0.000 0.994 375 D CA 0.894 54.968 54.000 0.124 0.000 0.890 375 D CB -0.080 40.793 40.800 0.121 0.000 0.906 375 D HN 0.213 nan 8.370 nan 0.000 0.530 376 F N -0.350 119.805 119.950 0.341 0.000 2.556 376 F HA 0.342 4.869 4.527 -0.000 0.000 0.384 376 F C 1.079 177.188 175.800 0.515 0.000 1.493 376 F CA -0.645 57.663 58.000 0.515 0.000 1.119 376 F CB -0.094 39.373 39.000 0.778 0.000 1.280 376 F HN -0.135 nan 8.300 nan 0.000 0.525 377 I N 0.226 121.033 120.570 0.395 0.000 2.264 377 I HA -0.311 3.859 4.170 -0.000 0.000 0.248 377 I C 1.791 178.028 176.117 0.200 0.000 1.111 377 I CA 1.506 62.981 61.300 0.291 0.000 1.382 377 I CB -0.055 38.010 38.000 0.109 0.000 1.060 377 I HN 0.305 nan 8.210 nan 0.000 0.418 378 D N 0.594 121.039 120.400 0.074 0.000 2.126 378 D HA -0.262 4.378 4.640 -0.000 0.000 0.190 378 D C 2.032 178.238 176.300 -0.157 0.000 1.001 378 D CA 2.011 55.940 54.000 -0.118 0.000 0.841 378 D CB -0.569 40.033 40.800 -0.330 0.000 0.949 378 D HN 0.410 nan 8.370 nan 0.000 0.446 379 Y N -0.045 120.212 120.300 -0.071 0.000 2.220 379 Y HA -0.025 4.525 4.550 -0.000 0.000 0.291 379 Y C 1.251 176.756 175.900 -0.658 0.000 1.129 379 Y CA 0.575 58.399 58.100 -0.460 0.000 1.161 379 Y CB -0.309 37.656 38.460 -0.826 0.000 0.997 379 Y HN -0.117 nan 8.280 nan 0.000 0.522 380 F N -0.746 119.343 119.950 0.232 0.000 2.585 380 F HA 0.399 4.926 4.527 -0.000 0.000 0.350 380 F C -0.105 175.795 175.800 0.167 0.000 1.074 380 F CA -1.645 56.414 58.000 0.098 0.000 1.032 380 F CB 0.670 39.705 39.000 0.058 0.000 1.330 380 F HN -0.274 nan 8.300 nan 0.000 0.495 381 D N 0.100 120.738 120.400 0.397 0.000 2.671 381 D HA 0.162 4.802 4.640 -0.000 0.000 0.232 381 D C 0.180 176.849 176.300 0.614 0.000 1.114 381 D CA -0.449 53.791 54.000 0.400 0.000 0.858 381 D CB 2.461 43.397 40.800 0.227 0.000 1.544 381 D HN 0.620 nan 8.370 nan 0.000 0.471 382 K N 2.170 122.882 120.400 0.521 0.000 2.097 382 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 382 K C 0.438 177.212 176.600 0.289 0.000 1.050 382 K CA 1.642 58.161 56.287 0.386 0.000 0.938 382 K CB 0.224 32.781 32.500 0.094 0.000 0.718 382 K HN 0.315 nan 8.250 nan 0.000 0.442 383 D N 0.460 120.993 120.400 0.222 0.000 2.320 383 D HA -0.010 4.630 4.640 -0.000 0.000 0.228 383 D C -0.114 176.338 176.300 0.254 0.000 0.978 383 D CA 0.800 54.888 54.000 0.145 0.000 0.905 383 D CB 0.213 41.029 40.800 0.027 0.000 1.051 383 D HN 0.229 nan 8.370 nan 0.000 0.471 384 D N 0.566 121.104 120.400 0.231 0.000 2.277 384 D HA 0.484 5.124 4.640 -0.000 0.000 0.250 384 D C -0.056 176.275 176.300 0.051 0.000 1.032 384 D CA -0.543 53.546 54.000 0.149 0.000 0.947 384 D CB 1.545 42.369 40.800 0.040 0.000 1.159 384 D HN 0.062 nan 8.370 nan 0.000 0.460 385 A N 0.766 123.484 122.820 -0.171 0.000 2.346 385 A HA 0.479 4.799 4.320 -0.000 0.000 0.252 385 A C 0.420 177.726 177.584 -0.464 0.000 1.089 385 A CA -0.221 51.439 52.037 -0.627 0.000 0.797 385 A CB 0.306 18.872 19.000 -0.723 0.000 1.047 385 A HN 0.582 nan 8.150 nan 0.000 0.494 386 T N -1.287 113.036 114.554 -0.385 0.000 2.848 386 T HA 0.617 4.967 4.350 -0.000 0.000 0.285 386 T C -0.339 174.435 174.700 0.124 0.000 0.995 386 T CA 0.045 62.095 62.100 -0.083 0.000 0.970 386 T CB 1.209 70.002 68.868 -0.126 0.000 0.976 386 T HN 1.593 nan 8.240 nan 0.000 0.441 387 A N 4.479 127.442 122.820 0.239 0.000 2.544 387 A HA 0.524 4.843 4.320 -0.000 0.000 0.301 387 A C 0.109 177.717 177.584 0.039 0.000 1.368 387 A CA -0.530 51.594 52.037 0.145 0.000 1.045 387 A CB -0.730 18.278 19.000 0.013 0.000 1.129 387 A HN 0.887 nan 8.150 nan 0.000 0.540 388 L N 5.823 127.069 121.223 0.039 0.000 2.281 388 L HA 0.428 4.768 4.340 -0.000 0.000 0.285 388 L C -2.139 174.738 176.870 0.012 0.000 1.074 388 L CA -1.560 53.285 54.840 0.009 0.000 0.817 388 L CB 0.698 42.785 42.059 0.046 0.000 1.168 388 L HN 0.370 nan 8.230 nan 0.000 0.434 389 P HA 0.078 nan 4.420 nan 0.000 0.273 389 P C 0.176 177.495 177.300 0.032 0.000 1.258 389 P CA -0.300 62.806 63.100 0.010 0.000 0.802 389 P CB 0.461 32.173 31.700 0.020 0.000 1.040 390 R N 1.090 121.602 120.500 0.020 0.000 2.200 390 R HA -0.067 4.273 4.340 -0.000 0.000 0.208 390 R C 1.255 177.618 176.300 0.106 0.000 1.033 390 R CA 1.367 57.489 56.100 0.037 0.000 1.000 390 R CB -0.842 29.451 30.300 -0.011 0.000 0.906 390 R HN 0.583 nan 8.270 nan 0.000 0.462 391 D N -0.478 119.967 120.400 0.075 0.000 2.213 391 D HA -0.119 4.521 4.640 -0.000 0.000 0.205 391 D C 1.277 177.619 176.300 0.071 0.000 0.961 391 D CA 0.536 54.582 54.000 0.076 0.000 0.853 391 D CB 0.012 40.849 40.800 0.060 0.000 0.967 391 D HN -0.038 nan 8.370 nan 0.000 0.496 392 K N 0.300 120.736 120.400 0.059 0.000 2.062 392 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 392 K C 2.179 178.743 176.600 -0.060 0.000 1.051 392 K CA 0.604 56.892 56.287 0.002 0.000 0.941 392 K CB -0.850 31.648 32.500 -0.002 0.000 0.719 392 K HN 0.301 nan 8.250 nan 0.000 0.440 393 Y N 1.984 122.232 120.300 -0.087 0.000 2.081 393 Y HA -0.238 4.312 4.550 -0.000 0.000 0.280 393 Y C 2.055 177.924 175.900 -0.053 0.000 1.163 393 Y CA 1.577 59.631 58.100 -0.077 0.000 1.135 393 Y CB -0.482 37.942 38.460 -0.059 0.000 0.970 393 Y HN -0.080 nan 8.280 nan 0.000 0.498 394 L N 0.274 121.494 121.223 -0.004 0.000 2.046 394 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 394 L C 2.625 179.443 176.870 -0.087 0.000 1.077 394 L CA 1.896 56.701 54.840 -0.059 0.000 0.747 394 L CB -0.676 41.439 42.059 0.093 0.000 0.896 394 L HN 0.330 nan 8.230 nan 0.000 0.432 395 E N 0.640 120.812 120.200 -0.048 0.000 2.097 395 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 395 E C 2.199 178.773 176.600 -0.044 0.000 1.000 395 E CA 1.545 57.938 56.400 -0.011 0.000 0.804 395 E CB -0.019 29.701 29.700 0.032 0.000 0.740 395 E HN 0.464 nan 8.360 nan 0.000 0.454 396 I N 0.066 120.515 120.570 -0.201 0.000 2.206 396 I HA -0.246 3.924 4.170 -0.000 0.000 0.239 396 I C 2.515 178.533 176.117 -0.165 0.000 1.078 396 I CA 0.586 61.731 61.300 -0.258 0.000 1.367 396 I CB -0.289 37.376 38.000 -0.557 0.000 1.078 396 I HN 0.219 nan 8.210 nan 0.000 0.413 397 M N 0.589 120.037 119.600 -0.253 0.000 2.143 397 M HA -0.261 4.219 4.480 -0.000 0.000 0.258 397 M C 1.924 178.303 176.300 0.132 0.000 1.071 397 M CA 1.773 57.028 55.300 -0.074 0.000 1.088 397 M CB -1.549 30.850 32.600 -0.335 0.000 1.360 397 M HN 0.342 nan 8.290 nan 0.000 0.404 398 N N 0.076 118.803 118.700 0.046 0.000 2.270 398 N HA -0.111 4.628 4.740 -0.000 0.000 0.181 398 N C 1.473 177.057 175.510 0.124 0.000 1.016 398 N CA 0.942 54.052 53.050 0.101 0.000 0.870 398 N CB -0.426 38.101 38.487 0.067 0.000 0.979 398 N HN 0.602 nan 8.380 nan 0.000 0.431 399 N N 1.219 119.990 118.700 0.119 0.000 2.083 399 N HA -0.038 4.702 4.740 -0.000 0.000 0.190 399 N C 1.902 177.483 175.510 0.118 0.000 1.047 399 N CA 0.604 53.746 53.050 0.154 0.000 0.845 399 N CB 0.047 38.706 38.487 0.287 0.000 1.025 399 N HN -0.002 nan 8.380 nan 0.000 0.428 400 I N 0.155 120.778 120.570 0.087 0.000 2.113 400 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 400 I C 0.733 176.666 176.117 -0.307 0.000 1.057 400 I CA 1.564 62.776 61.300 -0.146 0.000 1.314 400 I CB -0.356 37.423 38.000 -0.369 0.000 1.022 400 I HN 0.194 nan 8.210 nan 0.000 0.408 401 F N 0.539 120.553 119.950 0.107 0.000 2.819 401 F HA 0.288 4.815 4.527 -0.000 0.000 0.294 401 F C 1.823 177.662 175.800 0.065 0.000 1.166 401 F CA -0.159 57.894 58.000 0.089 0.000 1.374 401 F CB -0.509 38.530 39.000 0.065 0.000 0.956 401 F HN -0.100 nan 8.300 nan 0.000 0.509 402 G N 0.643 109.539 108.800 0.160 0.000 2.559 402 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 402 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 402 G C 1.848 176.806 174.900 0.096 0.000 1.126 402 G CA 0.439 45.610 45.100 0.118 0.000 0.778 402 G HN 0.255 nan 8.290 nan 0.000 0.543 403 K N 0.500 120.959 120.400 0.099 0.000 2.444 403 K HA 0.394 4.714 4.320 -0.000 0.000 0.193 403 K C 0.679 177.331 176.600 0.086 0.000 1.024 403 K CA 0.351 56.684 56.287 0.077 0.000 1.077 403 K CB -0.072 32.465 32.500 0.062 0.000 0.833 403 K HN 0.161 nan 8.250 nan 0.000 0.517 404 A N 1.742 124.632 122.820 0.116 0.000 2.306 404 A HA 0.470 4.790 4.320 -0.000 0.000 0.330 404 A C -0.046 177.575 177.584 0.062 0.000 1.146 404 A CA -0.369 51.723 52.037 0.093 0.000 0.827 404 A CB 0.407 19.480 19.000 0.121 0.000 1.178 404 A HN 0.406 nan 8.150 nan 0.000 0.490 405 T N -0.527 114.047 114.554 0.032 0.000 2.939 405 T HA -0.016 4.334 4.350 -0.000 0.000 0.319 405 T C 0.907 175.619 174.700 0.021 0.000 1.082 405 T CA 0.717 62.827 62.100 0.017 0.000 1.133 405 T CB 0.375 69.240 68.868 -0.005 0.000 1.019 405 T HN 0.732 nan 8.240 nan 0.000 0.548 406 Q N 1.554 121.367 119.800 0.022 0.000 2.234 406 Q HA -0.153 4.187 4.340 -0.000 0.000 0.206 406 Q C 2.452 178.461 176.000 0.015 0.000 0.980 406 Q CA 1.424 57.244 55.803 0.027 0.000 0.869 406 Q CB -0.638 28.117 28.738 0.027 0.000 0.912 406 Q HN 0.965 nan 8.270 nan 0.000 0.436 407 A N 1.660 124.478 122.820 -0.003 0.000 1.883 407 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 407 A C 1.764 179.330 177.584 -0.031 0.000 1.186 407 A CA 1.870 53.894 52.037 -0.020 0.000 0.624 407 A CB -0.612 18.363 19.000 -0.041 0.000 0.822 407 A HN 0.695 nan 8.150 nan 0.000 0.444 408 E N -0.928 119.243 120.200 -0.049 0.000 2.371 408 E HA -0.059 4.291 4.350 -0.000 0.000 0.194 408 E C 2.047 178.625 176.600 -0.037 0.000 1.012 408 E CA 0.527 56.880 56.400 -0.079 0.000 0.860 408 E CB -0.238 29.389 29.700 -0.122 0.000 0.811 408 E HN 0.604 nan 8.360 nan 0.000 0.502 409 R N 1.200 121.701 120.500 0.002 0.000 2.115 409 R HA -0.077 4.263 4.340 -0.000 0.000 0.226 409 R C 1.795 178.115 176.300 0.034 0.000 1.100 409 R CA 1.313 57.426 56.100 0.022 0.000 0.980 409 R CB 0.161 30.500 30.300 0.065 0.000 0.875 409 R HN 0.233 nan 8.270 nan 0.000 0.445 410 E N -0.121 120.109 120.200 0.051 0.000 2.046 410 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 410 E C 1.969 178.650 176.600 0.134 0.000 0.982 410 E CA 0.956 57.407 56.400 0.084 0.000 0.800 410 E CB -0.071 29.663 29.700 0.057 0.000 0.756 410 E HN 0.366 nan 8.360 nan 0.000 0.449 411 A N 1.491 124.389 122.820 0.130 0.000 1.883 411 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 411 A C 2.203 179.968 177.584 0.302 0.000 1.186 411 A CA 1.215 53.407 52.037 0.259 0.000 0.624 411 A CB -0.687 18.464 19.000 0.252 0.000 0.822 411 A HN 0.128 nan 8.150 nan 0.000 0.444 412 I N -0.284 120.403 120.570 0.195 0.000 2.099 412 I HA -0.285 3.885 4.170 -0.000 0.000 0.239 412 I C 2.356 178.501 176.117 0.048 0.000 1.066 412 I CA 1.617 62.946 61.300 0.048 0.000 1.324 412 I CB -0.395 37.416 38.000 -0.314 0.000 1.037 412 I HN 0.312 nan 8.210 nan 0.000 0.401 413 I N -0.035 120.578 120.570 0.072 0.000 2.194 413 I HA -0.351 3.818 4.170 -0.000 0.000 0.246 413 I C 2.521 178.766 176.117 0.215 0.000 1.093 413 I CA 1.640 63.045 61.300 0.175 0.000 1.355 413 I CB -0.425 37.680 38.000 0.175 0.000 1.046 413 I HN 0.185 nan 8.210 nan 0.000 0.413 414 F N 1.819 121.796 119.950 0.045 0.000 2.084 414 F HA -0.281 4.245 4.527 -0.000 0.000 0.296 414 F C 2.702 178.443 175.800 -0.100 0.000 1.111 414 F CA 2.046 60.055 58.000 0.016 0.000 1.224 414 F CB -0.514 38.518 39.000 0.054 0.000 0.991 414 F HN -0.004 nan 8.300 nan 0.000 0.471 415 Q N -0.601 119.090 119.800 -0.181 0.000 2.308 415 Q HA -0.240 4.100 4.340 -0.000 0.000 0.209 415 Q C 0.536 176.080 176.000 -0.759 0.000 0.985 415 Q CA 1.803 57.228 55.803 -0.630 0.000 0.881 415 Q CB -0.631 27.305 28.738 -1.337 0.000 0.917 415 Q HN 0.622 nan 8.270 nan 0.000 0.443 416 Y N -0.260 119.860 120.300 -0.299 0.000 2.720 416 Y HA 0.276 4.826 4.550 -0.000 0.000 0.268 416 Y C -0.259 175.528 175.900 -0.188 0.000 1.142 416 Y CA -0.137 57.867 58.100 -0.160 0.000 1.193 416 Y CB 0.508 38.971 38.460 0.005 0.000 1.176 416 Y HN -0.007 nan 8.280 nan 0.000 0.542 417 T N -1.626 112.689 114.554 -0.398 0.000 2.859 417 T HA 0.696 5.046 4.350 -0.000 0.000 0.281 417 T C 0.012 174.087 174.700 -1.041 0.000 1.005 417 T CA -0.825 60.810 62.100 -0.775 0.000 1.025 417 T CB 1.991 70.352 68.868 -0.846 0.000 0.977 417 T HN 0.119 nan 8.240 nan 0.000 0.458 418 S N 1.522 116.639 115.700 -0.972 0.000 2.542 418 S HA 0.587 5.057 4.470 -0.000 0.000 0.293 418 S C -0.592 173.571 174.600 -0.728 0.000 1.089 418 S CA -1.075 56.672 58.200 -0.755 0.000 0.961 418 S CB 1.290 64.292 63.200 -0.330 0.000 1.062 418 S HN 0.901 nan 8.310 nan 0.000 0.483 419 W N 1.809 123.024 121.300 -0.142 0.000 2.506 419 W HA 0.301 4.961 4.660 -0.000 0.000 0.394 419 W C 0.324 176.795 176.519 -0.081 0.000 0.920 419 W CA -0.375 56.906 57.345 -0.107 0.000 2.221 419 W CB -0.021 29.380 29.460 -0.097 0.000 1.197 419 W HN 0.894 nan 8.180 nan 0.000 0.627 420 E N -0.873 119.377 120.200 0.083 0.000 2.288 420 E HA 0.470 4.820 4.350 -0.000 0.000 0.268 420 E C 0.948 177.557 176.600 0.014 0.000 0.885 420 E CA -0.604 55.829 56.400 0.055 0.000 0.767 420 E CB 1.795 31.527 29.700 0.054 0.000 1.220 420 E HN 0.069 nan 8.360 nan 0.000 0.427 421 G N 3.278 112.089 108.800 0.017 0.000 2.337 421 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.290 421 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.290 421 G C 0.148 175.039 174.900 -0.015 0.000 1.003 421 G CA 1.370 46.475 45.100 0.008 0.000 0.825 421 G HN 1.644 nan 8.290 nan 0.000 0.509 422 N N -2.970 115.711 118.700 -0.032 0.000 5.255 422 N HA -0.086 4.654 4.740 -0.000 0.000 0.377 422 N C -2.457 172.995 175.510 -0.098 0.000 1.714 422 N CA 0.447 53.453 53.050 -0.072 0.000 2.565 422 N CB -1.191 37.228 38.487 -0.113 0.000 0.532 422 N HN 0.376 nan 8.380 nan 0.000 0.648 423 P HA 0.451 nan 4.420 nan 0.000 0.346 423 P C 1.323 178.541 177.300 -0.138 0.000 1.325 423 P CA 1.444 64.463 63.100 -0.135 0.000 0.803 423 P CB -0.084 31.539 31.700 -0.129 0.000 1.856 424 G N -0.257 108.478 108.800 -0.109 0.000 3.729 424 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.327 424 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.327 424 G C 1.131 176.085 174.900 0.091 0.000 1.293 424 G CA 0.895 45.941 45.100 -0.091 0.000 1.011 424 G HN 0.404 nan 8.290 nan 0.000 0.673 425 Y N 1.456 121.744 120.300 -0.020 0.000 2.373 425 Y HA 0.125 4.675 4.550 -0.000 0.000 0.293 425 Y C 3.056 178.967 175.900 0.018 0.000 1.129 425 Y CA 1.585 59.682 58.100 -0.004 0.000 1.226 425 Y CB -0.621 37.849 38.460 0.017 0.000 1.000 425 Y HN 0.425 nan 8.280 nan 0.000 0.549 426 Q N 0.020 119.901 119.800 0.134 0.000 2.331 426 Q HA -0.085 4.255 4.340 -0.000 0.000 0.203 426 Q C 1.491 177.513 176.000 0.036 0.000 0.944 426 Q CA 0.366 56.210 55.803 0.070 0.000 0.892 426 Q CB 0.069 28.807 28.738 -0.000 0.000 0.983 426 Q HN 0.462 nan 8.270 nan 0.000 0.482 427 N N 0.705 119.415 118.700 0.017 0.000 2.216 427 N HA -0.155 4.584 4.740 -0.000 0.000 0.183 427 N C 1.647 177.268 175.510 0.186 0.000 1.017 427 N CA 0.845 53.911 53.050 0.026 0.000 0.861 427 N CB -0.036 38.450 38.487 -0.001 0.000 0.986 427 N HN 0.351 nan 8.380 nan 0.000 0.428 428 Q N 0.747 120.650 119.800 0.173 0.000 2.119 428 Q HA -0.101 4.239 4.340 -0.000 0.000 0.201 428 Q C 1.502 177.591 176.000 0.149 0.000 0.972 428 Q CA 1.279 57.197 55.803 0.193 0.000 0.847 428 Q CB 0.081 28.883 28.738 0.106 0.000 0.903 428 Q HN 0.384 nan 8.270 nan 0.000 0.433 429 Q N -0.899 119.005 119.800 0.173 0.000 2.389 429 Q HA -0.060 4.280 4.340 -0.000 0.000 0.204 429 Q C 2.032 178.146 176.000 0.189 0.000 0.944 429 Q CA 0.403 56.324 55.803 0.196 0.000 0.908 429 Q CB 0.396 29.258 28.738 0.206 0.000 1.002 429 Q HN 0.352 nan 8.270 nan 0.000 0.493 430 Q N 0.267 120.186 119.800 0.197 0.000 2.079 430 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 430 Q C 1.976 178.120 176.000 0.241 0.000 0.974 430 Q CA 1.085 57.050 55.803 0.271 0.000 0.840 430 Q CB 0.045 28.934 28.738 0.252 0.000 0.898 430 Q HN 0.471 nan 8.270 nan 0.000 0.430 431 I N -0.035 120.650 120.570 0.191 0.000 2.493 431 I HA -0.163 4.006 4.170 -0.000 0.000 0.254 431 I C 2.198 178.328 176.117 0.021 0.000 1.160 431 I CA 0.978 62.310 61.300 0.053 0.000 1.445 431 I CB -0.461 37.519 38.000 -0.033 0.000 1.086 431 I HN 0.179 nan 8.210 nan 0.000 0.433 432 G N 0.838 109.675 108.800 0.061 0.000 2.404 432 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.215 432 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.215 432 G C 1.782 176.751 174.900 0.115 0.000 1.174 432 G CA 0.293 45.436 45.100 0.071 0.000 0.780 432 G HN 0.253 nan 8.290 nan 0.000 0.537 433 R N 0.602 121.202 120.500 0.166 0.000 2.105 433 R HA 0.020 4.360 4.340 -0.000 0.000 0.239 433 R C 2.971 179.386 176.300 0.192 0.000 1.135 433 R CA 1.242 57.490 56.100 0.248 0.000 0.967 433 R CB -0.346 30.182 30.300 0.381 0.000 0.861 433 R HN 0.353 nan 8.270 nan 0.000 0.442 434 A N 0.500 123.241 122.820 -0.132 0.000 1.902 434 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 434 A C 2.342 180.019 177.584 0.155 0.000 1.181 434 A CA 1.414 53.216 52.037 -0.392 0.000 0.623 434 A CB -0.566 18.010 19.000 -0.706 0.000 0.818 434 A HN 0.114 nan 8.150 nan 0.000 0.443 435 V N 0.009 120.046 119.914 0.205 0.000 2.261 435 V HA -0.205 3.914 4.120 -0.000 0.000 0.246 435 V C 2.870 179.168 176.094 0.340 0.000 1.047 435 V CA 2.116 64.605 62.300 0.315 0.000 1.015 435 V CB -1.590 30.312 31.823 0.132 0.000 0.642 435 V HN 0.604 nan 8.190 nan 0.000 0.446 436 G N -0.271 108.687 108.800 0.265 0.000 2.446 436 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 436 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 436 G C 1.257 176.329 174.900 0.286 0.000 1.168 436 G CA 1.183 46.484 45.100 0.335 0.000 0.771 436 G HN 0.520 nan 8.290 nan 0.000 0.551 437 D N -0.348 120.163 120.400 0.184 0.000 2.117 437 D HA -0.084 4.556 4.640 -0.000 0.000 0.198 437 D C 2.107 178.180 176.300 -0.378 0.000 0.982 437 D CA 1.311 55.349 54.000 0.063 0.000 0.828 437 D CB -0.396 40.593 40.800 0.315 0.000 0.967 437 D HN 0.423 nan 8.370 nan 0.000 0.464 438 H N -0.414 118.167 119.070 -0.816 0.000 2.363 438 H HA -0.027 4.528 4.556 -0.000 0.000 0.301 438 H C 1.507 176.306 175.328 -0.882 0.000 1.074 438 H CA 1.350 56.595 56.048 -1.338 0.000 1.354 438 H CB -0.387 28.516 29.762 -1.432 0.000 1.397 438 H HN 0.054 nan 8.280 nan 0.000 0.516 439 F N -1.717 117.909 119.950 -0.540 0.000 2.698 439 F HA 0.172 4.699 4.527 -0.000 0.000 0.295 439 F C 0.837 176.199 175.800 -0.729 0.000 1.124 439 F CA 0.147 57.715 58.000 -0.721 0.000 1.426 439 F CB 0.305 38.763 39.000 -0.904 0.000 1.120 439 F HN 0.113 nan 8.300 nan 0.000 0.583 440 F N -2.127 117.893 119.950 0.117 0.000 1.881 440 F HA 0.054 4.581 4.527 -0.000 0.000 0.233 440 F C 2.211 178.090 175.800 0.133 0.000 1.186 440 F CA 0.448 58.562 58.000 0.190 0.000 1.298 440 F CB -0.922 38.207 39.000 0.215 0.000 1.756 440 F HN -0.470 nan 8.300 nan 0.000 0.431 441 T N 0.598 115.375 114.554 0.373 0.000 2.597 441 T HA -0.260 4.090 4.350 -0.000 0.000 0.267 441 T C 1.928 176.747 174.700 0.197 0.000 1.053 441 T CA 2.183 64.452 62.100 0.282 0.000 1.165 441 T CB -0.976 68.057 68.868 0.275 0.000 0.863 441 T HN 0.352 nan 8.240 nan 0.000 0.427 442 c N 1.322 119.994 118.600 0.119 0.000 2.440 442 c HA 0.024 4.594 4.570 -0.000 0.000 0.278 442 c C -0.004 174.145 174.090 0.099 0.000 1.295 442 c CA 0.324 56.721 56.329 0.114 0.000 1.738 442 c CB -1.516 41.054 42.510 0.101 0.000 1.987 442 c HN 0.479 nan 8.230 nan 0.000 0.492 443 P HA -0.106 nan 4.420 nan 0.000 0.215 443 P C 1.879 179.237 177.300 0.096 0.000 1.157 443 P CA 2.598 65.705 63.100 0.013 0.000 0.859 443 P CB -0.328 31.307 31.700 -0.108 0.000 0.786 444 T N -3.180 111.451 114.554 0.129 0.000 2.915 444 T HA -0.149 4.201 4.350 -0.000 0.000 0.269 444 T C 1.805 176.648 174.700 0.237 0.000 1.071 444 T CA 1.577 63.775 62.100 0.163 0.000 1.132 444 T CB -1.186 67.756 68.868 0.122 0.000 0.878 444 T HN -0.039 nan 8.240 nan 0.000 0.479 445 N N 1.198 120.045 118.700 0.245 0.000 2.106 445 N HA -0.089 4.651 4.740 -0.000 0.000 0.188 445 N C 1.966 177.621 175.510 0.242 0.000 1.029 445 N CA 1.610 54.799 53.050 0.233 0.000 0.848 445 N CB -0.309 38.262 38.487 0.141 0.000 1.007 445 N HN 0.646 nan 8.380 nan 0.000 0.423 446 E N -1.221 119.104 120.200 0.207 0.000 2.051 446 E HA -0.250 4.100 4.350 -0.000 0.000 0.192 446 E C 1.583 178.307 176.600 0.207 0.000 0.991 446 E CA 1.007 57.521 56.400 0.190 0.000 0.799 446 E CB -0.240 29.550 29.700 0.150 0.000 0.748 446 E HN 0.488 nan 8.360 nan 0.000 0.449 447 Y N 0.604 120.951 120.300 0.078 0.000 2.224 447 Y HA -0.196 4.354 4.550 -0.000 0.000 0.289 447 Y C 2.022 177.983 175.900 0.102 0.000 1.146 447 Y CA 1.400 59.534 58.100 0.056 0.000 1.182 447 Y CB -0.507 37.963 38.460 0.018 0.000 0.983 447 Y HN 0.140 nan 8.280 nan 0.000 0.524 448 A N -0.051 122.896 122.820 0.213 0.000 1.865 448 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 448 A C 2.133 179.921 177.584 0.340 0.000 1.191 448 A CA 2.111 54.265 52.037 0.195 0.000 0.623 448 A CB -0.799 18.232 19.000 0.052 0.000 0.826 448 A HN 0.623 nan 8.150 nan 0.000 0.444 449 Q N -0.776 119.286 119.800 0.436 0.000 2.050 449 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 449 Q C 2.469 178.516 176.000 0.079 0.000 0.980 449 Q CA 1.453 57.428 55.803 0.287 0.000 0.840 449 Q CB -0.424 28.430 28.738 0.194 0.000 0.898 449 Q HN 0.684 nan 8.270 nan 0.000 0.424 450 A N 0.695 123.515 122.820 -0.001 0.000 1.908 450 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 450 A C 2.015 179.488 177.584 -0.185 0.000 1.181 450 A CA 1.177 53.148 52.037 -0.110 0.000 0.627 450 A CB -0.551 18.349 19.000 -0.166 0.000 0.818 450 A HN 0.257 nan 8.150 nan 0.000 0.445 451 L N -0.525 120.545 121.223 -0.256 0.000 2.046 451 L HA -0.113 4.226 4.340 -0.000 0.000 0.208 451 L C 2.910 179.739 176.870 -0.069 0.000 1.077 451 L CA 1.863 56.565 54.840 -0.229 0.000 0.747 451 L CB -1.021 40.917 42.059 -0.202 0.000 0.896 451 L HN 0.409 nan 8.230 nan 0.000 0.432 452 A N -1.065 121.763 122.820 0.014 0.000 1.855 452 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 452 A C 2.118 179.695 177.584 -0.011 0.000 1.191 452 A CA 1.383 53.440 52.037 0.034 0.000 0.613 452 A CB -0.475 18.567 19.000 0.070 0.000 0.829 452 A HN 0.417 nan 8.150 nan 0.000 0.442 453 E N 0.060 120.244 120.200 -0.027 0.000 2.114 453 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 453 E C 1.695 178.268 176.600 -0.045 0.000 1.008 453 E CA 0.983 57.361 56.400 -0.038 0.000 0.810 453 E CB -0.381 29.294 29.700 -0.042 0.000 0.739 453 E HN 0.349 nan 8.360 nan 0.000 0.456 454 R N -0.312 120.148 120.500 -0.066 0.000 2.346 454 R HA 0.010 4.350 4.340 -0.000 0.000 0.199 454 R C 1.350 177.617 176.300 -0.055 0.000 1.015 454 R CA 0.720 56.774 56.100 -0.076 0.000 1.058 454 R CB -0.382 29.845 30.300 -0.122 0.000 0.921 454 R HN 0.401 nan 8.270 nan 0.000 0.475 455 G N -0.474 108.309 108.800 -0.028 0.000 2.195 455 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.246 455 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.246 455 G C 0.398 175.315 174.900 0.030 0.000 0.984 455 G CA 0.130 45.230 45.100 -0.001 0.000 0.633 455 G HN 0.609 nan 8.290 nan 0.000 0.525 456 A N 0.156 122.994 122.820 0.030 0.000 2.425 456 A HA 0.648 4.968 4.320 -0.000 0.000 0.242 456 A C 0.969 178.614 177.584 0.101 0.000 1.077 456 A CA 1.177 53.270 52.037 0.094 0.000 0.781 456 A CB 0.608 19.664 19.000 0.093 0.000 1.020 456 A HN 1.571 nan 8.150 nan 0.000 0.494 457 S N 1.447 117.230 115.700 0.139 0.000 2.473 457 S HA 0.435 4.905 4.470 -0.000 0.000 0.312 457 S C -0.396 174.293 174.600 0.148 0.000 1.087 457 S CA -0.556 57.719 58.200 0.126 0.000 1.077 457 S CB -0.748 62.547 63.200 0.159 0.000 1.065 457 S HN 0.576 nan 8.310 nan 0.000 0.510 458 V N 5.748 125.706 119.914 0.074 0.000 2.539 458 V HA 0.442 4.562 4.120 -0.000 0.000 0.292 458 V C -0.583 175.454 176.094 -0.096 0.000 1.045 458 V CA -0.637 61.715 62.300 0.087 0.000 0.945 458 V CB 1.351 33.292 31.823 0.196 0.000 0.993 458 V HN 0.846 nan 8.190 nan 0.000 0.464 459 H N 2.990 122.098 119.070 0.064 0.000 2.906 459 H HA 0.452 5.008 4.556 -0.000 0.000 0.324 459 H C -1.345 174.102 175.328 0.198 0.000 0.973 459 H CA -0.288 55.769 56.048 0.015 0.000 1.321 459 H CB 1.188 30.649 29.762 -0.501 0.000 1.535 459 H HN 0.635 nan 8.280 nan 0.000 0.518 460 Y N 3.978 124.524 120.300 0.411 0.000 2.361 460 Y HA 0.345 4.895 4.550 -0.000 0.000 0.332 460 Y C -1.023 175.247 175.900 0.617 0.000 1.101 460 Y CA -0.818 57.425 58.100 0.237 0.000 1.137 460 Y CB 0.631 38.997 38.460 -0.157 0.000 1.207 460 Y HN 0.605 nan 8.280 nan 0.000 0.463 461 Y N 2.874 123.528 120.300 0.589 0.000 2.581 461 Y HA 0.653 5.203 4.550 -0.000 0.000 0.345 461 Y C -2.371 173.889 175.900 0.599 0.000 1.036 461 Y CA -2.172 56.282 58.100 0.591 0.000 1.042 461 Y CB 1.014 39.848 38.460 0.624 0.000 1.289 461 Y HN 0.514 nan 8.280 nan 0.000 0.471 462 Y N 3.188 123.864 120.300 0.626 0.000 2.346 462 Y HA 0.501 5.051 4.550 -0.000 0.000 0.332 462 Y C -1.973 174.278 175.900 0.585 0.000 0.985 462 Y CA -2.520 55.872 58.100 0.486 0.000 1.112 462 Y CB 1.286 39.912 38.460 0.277 0.000 1.170 462 Y HN 0.731 nan 8.280 nan 0.000 0.447 463 F N 5.904 125.971 119.950 0.195 0.000 2.371 463 F HA 0.377 4.904 4.527 -0.000 0.000 0.363 463 F C 0.554 176.237 175.800 -0.194 0.000 1.122 463 F CA -0.359 57.690 58.000 0.082 0.000 1.129 463 F CB 0.927 39.980 39.000 0.088 0.000 1.173 463 F HN 0.547 nan 8.300 nan 0.000 0.489 464 T N 1.359 115.557 114.554 -0.595 0.000 3.296 464 T HA 0.154 4.504 4.350 -0.000 0.000 0.285 464 T C -0.174 174.216 174.700 -0.517 0.000 1.014 464 T CA -0.219 61.581 62.100 -0.499 0.000 0.920 464 T CB -0.710 68.023 68.868 -0.225 0.000 1.143 464 T HN 0.613 nan 8.240 nan 0.000 0.522 465 H N 1.642 120.087 119.070 -1.040 0.000 2.511 465 H HA 0.453 5.009 4.556 -0.000 0.000 0.328 465 H C -0.565 174.497 175.328 -0.444 0.000 1.044 465 H CA -0.656 54.989 56.048 -0.670 0.000 1.212 465 H CB 1.347 30.722 29.762 -0.644 0.000 1.428 465 H HN 0.221 nan 8.280 nan 0.000 0.483 466 R N 4.586 124.716 120.500 -0.616 0.000 2.210 466 R HA 0.129 4.469 4.340 -0.000 0.000 0.338 466 R C -0.571 175.616 176.300 -0.188 0.000 1.062 466 R CA -0.388 55.553 56.100 -0.266 0.000 0.902 466 R CB 0.234 30.409 30.300 -0.207 0.000 1.050 466 R HN 0.610 nan 8.270 nan 0.000 0.461 467 T N 2.844 117.544 114.554 0.243 0.000 2.905 467 T HA -0.107 4.243 4.350 -0.000 0.000 0.299 467 T C 1.672 176.483 174.700 0.184 0.000 1.024 467 T CA 0.685 63.036 62.100 0.418 0.000 1.151 467 T CB 0.826 69.948 68.868 0.424 0.000 0.987 467 T HN 0.798 nan 8.240 nan 0.000 0.535 468 S N 2.248 118.071 115.700 0.205 0.000 2.402 468 S HA -0.164 4.306 4.470 -0.000 0.000 0.233 468 S C 1.760 176.368 174.600 0.014 0.000 1.030 468 S CA 1.466 59.715 58.200 0.082 0.000 1.003 468 S CB -0.667 62.593 63.200 0.100 0.000 0.813 468 S HN 0.880 nan 8.310 nan 0.000 0.477 469 T N -0.952 113.583 114.554 -0.031 0.000 3.223 469 T HA 0.357 4.707 4.350 -0.000 0.000 0.259 469 T C 0.296 174.965 174.700 -0.051 0.000 1.015 469 T CA -0.128 61.923 62.100 -0.081 0.000 0.908 469 T CB -0.101 68.654 68.868 -0.188 0.000 1.054 469 T HN 0.242 nan 8.240 nan 0.000 0.567 470 S N 1.348 117.059 115.700 0.017 0.000 2.516 470 S HA 0.266 4.736 4.470 -0.000 0.000 0.282 470 S C 0.441 175.063 174.600 0.035 0.000 1.286 470 S CA -0.702 57.539 58.200 0.069 0.000 1.066 470 S CB 0.052 63.341 63.200 0.149 0.000 0.884 470 S HN 0.451 nan 8.310 nan 0.000 0.491 471 L N 7.159 128.371 121.223 -0.019 0.000 3.001 471 L HA 0.499 4.839 4.340 -0.000 0.000 0.234 471 L C -0.856 175.940 176.870 -0.123 0.000 1.321 471 L CA -0.081 54.728 54.840 -0.050 0.000 1.138 471 L CB -0.714 41.343 42.059 -0.002 0.000 1.503 471 L HN 0.718 nan 8.230 nan 0.000 0.487 472 W N -1.106 120.224 121.300 0.050 0.000 2.804 472 W HA 0.624 5.284 4.660 -0.000 0.000 0.352 472 W C 0.941 177.376 176.519 -0.141 0.000 1.153 472 W CA -1.089 56.230 57.345 -0.042 0.000 1.119 472 W CB 0.993 30.403 29.460 -0.084 0.000 1.448 472 W HN 0.132 nan 8.180 nan 0.000 0.600 473 G N 0.550 109.414 108.800 0.107 0.000 2.432 473 G HA2 0.126 4.086 3.960 -0.000 0.000 0.239 473 G HA3 0.126 4.086 3.960 -0.000 0.000 0.239 473 G C 0.514 175.322 174.900 -0.153 0.000 1.291 473 G CA -0.296 44.756 45.100 -0.081 0.000 0.863 473 G HN 0.470 nan 8.290 nan 0.000 0.560 474 E N 1.533 121.740 120.200 0.011 0.000 2.110 474 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 474 E C 2.034 178.647 176.600 0.021 0.000 0.988 474 E CA 1.774 58.185 56.400 0.019 0.000 0.804 474 E CB -0.183 29.553 29.700 0.060 0.000 0.745 474 E HN 0.853 nan 8.360 nan 0.000 0.458 475 W N -0.713 120.582 121.300 -0.008 0.000 2.525 475 W HA 0.059 4.719 4.660 -0.000 0.000 0.259 475 W C 1.476 177.995 176.519 -0.001 0.000 1.253 475 W CA 0.538 57.874 57.345 -0.014 0.000 1.262 475 W CB -0.754 28.686 29.460 -0.033 0.000 1.122 475 W HN 0.243 nan 8.180 nan 0.000 0.607 476 M N 1.460 120.582 119.600 -0.798 0.000 2.659 476 M HA 0.149 4.629 4.480 -0.000 0.000 0.243 476 M C 1.742 177.847 176.300 -0.326 0.000 1.111 476 M CA 1.170 55.984 55.300 -0.809 0.000 1.070 476 M CB -0.640 31.370 32.600 -0.984 0.000 1.525 476 M HN 0.107 nan 8.290 nan 0.000 0.517 477 G N 0.735 109.430 108.800 -0.176 0.000 2.602 477 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.306 477 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.306 477 G C -0.111 174.737 174.900 -0.088 0.000 1.301 477 G CA -0.103 44.941 45.100 -0.092 0.000 0.974 477 G HN 0.243 nan 8.290 nan 0.000 0.547 478 V N 2.507 122.377 119.914 -0.073 0.000 2.313 478 V HA 0.424 4.544 4.120 -0.000 0.000 0.252 478 V C 1.122 177.219 176.094 0.005 0.000 1.112 478 V CA 0.457 62.737 62.300 -0.033 0.000 0.984 478 V CB -0.544 31.213 31.823 -0.111 0.000 1.157 478 V HN 0.751 nan 8.190 nan 0.000 0.493 479 L N 0.959 122.175 121.223 -0.012 0.000 2.475 479 L HA 0.573 4.913 4.340 -0.000 0.000 0.253 479 L C 0.708 177.594 176.870 0.027 0.000 1.198 479 L CA -0.716 54.099 54.840 -0.041 0.000 0.814 479 L CB -0.015 41.955 42.059 -0.148 0.000 1.134 479 L HN 0.503 nan 8.230 nan 0.000 0.478 480 H N 0.348 119.323 119.070 -0.158 0.000 3.216 480 H HA 0.297 4.853 4.556 -0.000 0.000 0.283 480 H C 0.998 176.265 175.328 -0.102 0.000 0.921 480 H CA 1.533 57.459 56.048 -0.204 0.000 1.419 480 H CB 0.239 29.712 29.762 -0.483 0.000 1.460 480 H HN 0.906 nan 8.280 nan 0.000 0.553 481 G N 4.255 112.884 108.800 -0.284 0.000 2.284 481 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.216 481 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.216 481 G C 1.201 176.161 174.900 0.101 0.000 1.009 481 G CA 0.260 45.267 45.100 -0.156 0.000 0.625 481 G HN 0.621 nan 8.290 nan 0.000 0.501 482 D N 1.524 121.999 120.400 0.125 0.000 2.354 482 D HA -0.044 4.596 4.640 -0.000 0.000 0.216 482 D C 2.423 178.714 176.300 -0.015 0.000 0.970 482 D CA 1.354 55.489 54.000 0.224 0.000 0.905 482 D CB -0.028 40.990 40.800 0.363 0.000 0.903 482 D HN 0.788 nan 8.370 nan 0.000 0.508 483 E N 1.112 121.107 120.200 -0.342 0.000 2.158 483 E HA -0.119 4.230 4.350 -0.000 0.000 0.191 483 E C 2.290 178.712 176.600 -0.296 0.000 0.982 483 E CA 0.192 56.036 56.400 -0.926 0.000 0.823 483 E CB -0.579 28.653 29.700 -0.781 0.000 0.766 483 E HN 0.294 nan 8.360 nan 0.000 0.468 484 I N 1.857 122.491 120.570 0.105 0.000 2.091 484 I HA -0.371 3.798 4.170 -0.000 0.000 0.240 484 I C 2.556 178.832 176.117 0.264 0.000 1.046 484 I CA 2.231 63.727 61.300 0.327 0.000 1.306 484 I CB -0.529 37.780 38.000 0.513 0.000 1.018 484 I HN 0.128 nan 8.210 nan 0.000 0.404 485 E N 0.123 120.424 120.200 0.167 0.000 2.055 485 E HA -0.294 4.056 4.350 -0.000 0.000 0.209 485 E C 2.202 178.738 176.600 -0.107 0.000 1.036 485 E CA 2.311 58.719 56.400 0.013 0.000 0.849 485 E CB -0.495 29.174 29.700 -0.051 0.000 0.767 485 E HN 0.477 nan 8.360 nan 0.000 0.461 486 Y N -0.365 119.790 120.300 -0.240 0.000 2.114 486 Y HA -0.220 4.330 4.550 -0.000 0.000 0.282 486 Y C 2.212 177.888 175.900 -0.373 0.000 1.165 486 Y CA 1.176 59.043 58.100 -0.389 0.000 1.148 486 Y CB -0.499 37.611 38.460 -0.583 0.000 0.972 486 Y HN 0.056 nan 8.280 nan 0.000 0.504 487 F N -2.292 117.555 119.950 -0.171 0.000 2.365 487 F HA -0.129 4.398 4.527 -0.000 0.000 0.300 487 F C 1.675 177.251 175.800 -0.373 0.000 1.090 487 F CA 0.756 58.577 58.000 -0.298 0.000 1.408 487 F CB -0.877 37.940 39.000 -0.305 0.000 1.060 487 F HN -0.004 nan 8.300 nan 0.000 0.534 488 F N -0.474 119.442 119.950 -0.057 0.000 2.776 488 F HA 0.307 4.834 4.527 -0.000 0.000 0.300 488 F C 1.955 177.632 175.800 -0.206 0.000 1.116 488 F CA 0.623 58.524 58.000 -0.166 0.000 1.375 488 F CB -0.219 38.634 39.000 -0.245 0.000 1.109 488 F HN 0.021 nan 8.300 nan 0.000 0.585 489 G N -0.000 108.747 108.800 -0.087 0.000 2.143 489 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.248 489 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.248 489 G C 1.200 175.948 174.900 -0.254 0.000 0.991 489 G CA 0.494 45.488 45.100 -0.177 0.000 0.689 489 G HN 0.231 nan 8.290 nan 0.000 0.522 490 Q N -0.473 119.160 119.800 -0.278 0.000 2.197 490 Q HA -0.114 4.226 4.340 -0.000 0.000 0.207 490 Q C -0.063 175.599 176.000 -0.564 0.000 0.984 490 Q CA 2.014 57.623 55.803 -0.323 0.000 0.869 490 Q CB -1.202 27.386 28.738 -0.250 0.000 0.906 490 Q HN 0.521 nan 8.270 nan 0.000 0.426 491 P HA -0.088 nan 4.420 nan 0.000 0.225 491 P C 1.048 178.006 177.300 -0.569 0.000 1.148 491 P CA 0.732 63.085 63.100 -1.245 0.000 0.779 491 P CB 0.040 31.065 31.700 -1.126 0.000 0.780 492 L N -1.524 119.478 121.223 -0.369 0.000 2.552 492 L HA 0.048 4.388 4.340 -0.000 0.000 0.227 492 L C 0.837 177.613 176.870 -0.157 0.000 1.146 492 L CA 0.888 55.602 54.840 -0.211 0.000 0.858 492 L CB -1.158 40.804 42.059 -0.162 0.000 0.969 492 L HN 0.060 nan 8.230 nan 0.000 0.451 493 N N 0.794 119.389 118.700 -0.175 0.000 2.415 493 N HA -0.012 4.727 4.740 -0.000 0.000 0.246 493 N C 0.735 176.213 175.510 -0.053 0.000 1.078 493 N CA 0.152 53.142 53.050 -0.100 0.000 0.942 493 N CB 0.486 38.916 38.487 -0.095 0.000 1.140 493 N HN 0.087 nan 8.380 nan 0.000 0.501 494 N N 0.906 119.583 118.700 -0.038 0.000 2.364 494 N HA -0.084 4.656 4.740 -0.000 0.000 0.183 494 N C 0.997 176.508 175.510 0.001 0.000 1.022 494 N CA 0.858 53.900 53.050 -0.012 0.000 0.883 494 N CB 0.233 38.710 38.487 -0.016 0.000 0.965 494 N HN 0.429 nan 8.380 nan 0.000 0.438 495 S N 0.051 115.745 115.700 -0.009 0.000 2.481 495 S HA 0.047 4.517 4.470 -0.000 0.000 0.231 495 S C 0.583 175.180 174.600 -0.004 0.000 0.996 495 S CA 0.497 58.689 58.200 -0.013 0.000 0.942 495 S CB 0.061 63.246 63.200 -0.025 0.000 0.768 495 S HN 0.227 nan 8.310 nan 0.000 0.520 496 L N 1.630 122.872 121.223 0.031 0.000 2.325 496 L HA 0.349 4.689 4.340 -0.000 0.000 0.279 496 L C 0.361 177.297 176.870 0.109 0.000 1.054 496 L CA -0.474 54.406 54.840 0.067 0.000 0.804 496 L CB 1.107 43.276 42.059 0.184 0.000 1.200 496 L HN 0.100 nan 8.230 nan 0.000 0.436 497 Q N 2.692 122.473 119.800 -0.032 0.000 2.323 497 Q HA 0.289 4.629 4.340 -0.000 0.000 0.257 497 Q C -1.876 174.018 176.000 -0.178 0.000 1.022 497 Q CA -0.035 55.731 55.803 -0.061 0.000 0.919 497 Q CB 0.452 29.127 28.738 -0.106 0.000 1.220 497 Q HN 0.438 nan 8.270 nan 0.000 0.427 498 Y N 1.443 121.724 120.300 -0.032 0.000 2.544 498 Y HA 0.367 4.917 4.550 0.000 0.000 0.342 498 Y C -0.246 175.657 175.900 0.005 0.000 1.062 498 Y CA -0.992 57.099 58.100 -0.015 0.000 1.023 498 Y CB 1.559 39.984 38.460 -0.059 0.000 1.308 498 Y HN 0.526 nan 8.280 nan 0.000 0.457 499 R N 2.544 123.159 120.500 0.192 0.000 2.738 499 R HA 0.123 4.463 4.340 -0.000 0.000 0.268 499 R C -1.799 174.566 176.300 0.107 0.000 1.062 499 R CA -1.268 54.908 56.100 0.126 0.000 1.158 499 R CB 0.132 30.509 30.300 0.129 0.000 1.046 499 R HN 0.376 nan 8.270 nan 0.000 0.493 500 P HA -0.207 nan 4.420 nan 0.000 0.216 500 P C 1.185 178.509 177.300 0.040 0.000 1.150 500 P CA 1.215 64.342 63.100 0.045 0.000 0.843 500 P CB 0.099 31.821 31.700 0.037 0.000 0.787 501 V N -2.754 117.191 119.914 0.051 0.000 2.719 501 V HA -0.101 4.019 4.120 -0.000 0.000 0.252 501 V C 1.837 177.944 176.094 0.022 0.000 1.065 501 V CA 1.429 63.752 62.300 0.038 0.000 1.086 501 V CB -1.423 30.429 31.823 0.048 0.000 0.700 501 V HN 0.081 nan 8.190 nan 0.000 0.467 502 E N 0.599 120.833 120.200 0.058 0.000 2.274 502 E HA -0.053 4.297 4.350 -0.000 0.000 0.194 502 E C 2.340 178.953 176.600 0.022 0.000 0.996 502 E CA 0.756 57.218 56.400 0.104 0.000 0.840 502 E CB -0.082 29.788 29.700 0.284 0.000 0.772 502 E HN 0.611 nan 8.360 nan 0.000 0.491 503 R N 0.477 120.957 120.500 -0.032 0.000 2.161 503 R HA -0.002 4.338 4.340 -0.000 0.000 0.213 503 R C 2.025 178.283 176.300 -0.071 0.000 1.055 503 R CA 0.421 56.447 56.100 -0.122 0.000 0.996 503 R CB 0.147 30.395 30.300 -0.086 0.000 0.901 503 R HN 0.020 nan 8.270 nan 0.000 0.456 504 E N 0.899 121.087 120.200 -0.020 0.000 2.208 504 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 504 E C 1.719 178.325 176.600 0.010 0.000 0.988 504 E CA 0.708 57.108 56.400 -0.001 0.000 0.828 504 E CB 0.203 29.914 29.700 0.018 0.000 0.763 504 E HN 0.116 nan 8.360 nan 0.000 0.478 505 L N -0.164 121.068 121.223 0.015 0.000 2.127 505 L HA 0.115 4.455 4.340 -0.000 0.000 0.203 505 L C 2.140 179.015 176.870 0.008 0.000 1.080 505 L CA 1.903 56.754 54.840 0.018 0.000 0.768 505 L CB -0.808 41.234 42.059 -0.029 0.000 0.924 505 L HN 0.091 nan 8.230 nan 0.000 0.444 506 G N -0.741 108.081 108.800 0.036 0.000 2.432 506 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.219 506 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.219 506 G C 1.704 176.533 174.900 -0.118 0.000 1.135 506 G CA 0.817 45.860 45.100 -0.095 0.000 0.767 506 G HN 0.412 nan 8.290 nan 0.000 0.550 507 K N 0.219 120.569 120.400 -0.083 0.000 2.103 507 K HA 0.040 4.360 4.320 -0.000 0.000 0.204 507 K C 2.600 179.184 176.600 -0.027 0.000 1.052 507 K CA 0.406 56.658 56.287 -0.059 0.000 0.945 507 K CB -0.132 32.345 32.500 -0.038 0.000 0.722 507 K HN 0.180 nan 8.250 nan 0.000 0.443 508 R N -0.027 120.469 120.500 -0.006 0.000 2.062 508 R HA 0.034 4.374 4.340 -0.000 0.000 0.229 508 R C 2.389 178.693 176.300 0.007 0.000 1.128 508 R CA 1.544 57.678 56.100 0.056 0.000 0.960 508 R CB -0.147 30.245 30.300 0.154 0.000 0.855 508 R HN 0.238 nan 8.270 nan 0.000 0.432 509 M N 0.535 120.017 119.600 -0.197 0.000 2.296 509 M HA -0.109 4.371 4.480 -0.000 0.000 0.265 509 M C 2.192 178.488 176.300 -0.007 0.000 1.064 509 M CA 0.991 56.084 55.300 -0.345 0.000 1.109 509 M CB -0.053 32.027 32.600 -0.868 0.000 1.396 509 M HN 0.179 nan 8.290 nan 0.000 0.430 510 L N -0.831 120.357 121.223 -0.057 0.000 2.179 510 L HA -0.084 4.255 4.340 -0.000 0.000 0.208 510 L C 2.309 179.146 176.870 -0.055 0.000 1.096 510 L CA 1.472 56.273 54.840 -0.064 0.000 0.779 510 L CB -0.439 41.560 42.059 -0.101 0.000 0.922 510 L HN 0.244 nan 8.230 nan 0.000 0.443 511 S N -0.318 115.372 115.700 -0.016 0.000 2.387 511 S HA -0.059 4.411 4.470 -0.000 0.000 0.226 511 S C 2.131 176.751 174.600 0.033 0.000 1.026 511 S CA 1.052 59.253 58.200 0.001 0.000 0.972 511 S CB 0.025 63.242 63.200 0.028 0.000 0.814 511 S HN 0.576 nan 8.310 nan 0.000 0.477 512 A N 0.996 123.878 122.820 0.103 0.000 1.877 512 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 512 A C 2.299 179.899 177.584 0.027 0.000 1.186 512 A CA 1.790 53.922 52.037 0.159 0.000 0.620 512 A CB -1.107 18.160 19.000 0.446 0.000 0.822 512 A HN 0.431 nan 8.150 nan 0.000 0.443 513 V N 0.723 120.604 119.914 -0.056 0.000 2.255 513 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 513 V C 2.479 178.486 176.094 -0.146 0.000 1.051 513 V CA 1.917 64.102 62.300 -0.192 0.000 1.018 513 V CB -0.733 30.880 31.823 -0.351 0.000 0.641 513 V HN 0.508 nan 8.190 nan 0.000 0.445 514 I N -0.214 120.262 120.570 -0.156 0.000 2.127 514 I HA -0.174 3.996 4.170 -0.000 0.000 0.241 514 I C 2.661 178.701 176.117 -0.128 0.000 1.075 514 I CA 1.568 62.765 61.300 -0.172 0.000 1.334 514 I CB -1.376 36.538 38.000 -0.144 0.000 1.040 514 I HN 0.361 nan 8.210 nan 0.000 0.405 515 E N 0.240 120.403 120.200 -0.061 0.000 2.118 515 E HA -0.246 4.103 4.350 -0.000 0.000 0.195 515 E C 2.097 178.675 176.600 -0.036 0.000 0.992 515 E CA 1.085 57.462 56.400 -0.038 0.000 0.804 515 E CB -0.484 29.211 29.700 -0.009 0.000 0.741 515 E HN 0.454 nan 8.360 nan 0.000 0.458 516 F N 1.231 121.074 119.950 -0.177 0.000 2.113 516 F HA -0.124 4.403 4.527 0.000 0.000 0.297 516 F C 2.188 177.894 175.800 -0.156 0.000 1.103 516 F CA 1.511 59.398 58.000 -0.188 0.000 1.248 516 F CB -0.432 38.436 39.000 -0.220 0.000 0.999 516 F HN -0.026 nan 8.300 nan 0.000 0.475 517 A N -0.004 122.629 122.820 -0.311 0.000 1.969 517 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 517 A C 2.221 179.563 177.584 -0.405 0.000 1.169 517 A CA 1.613 53.386 52.037 -0.440 0.000 0.635 517 A CB -0.579 18.183 19.000 -0.396 0.000 0.810 517 A HN 0.476 nan 8.150 nan 0.000 0.445 518 K N -1.244 118.996 120.400 -0.266 0.000 2.186 518 K HA -0.022 4.297 4.320 -0.000 0.000 0.202 518 K C 1.415 178.134 176.600 0.197 0.000 1.052 518 K CA 1.499 57.761 56.287 -0.042 0.000 0.965 518 K CB 0.113 32.584 32.500 -0.049 0.000 0.746 518 K HN 0.657 nan 8.250 nan 0.000 0.457 519 T N -4.680 109.876 114.554 0.004 0.000 3.130 519 T HA 0.213 4.563 4.350 -0.000 0.000 0.288 519 T C 1.034 175.679 174.700 -0.092 0.000 0.936 519 T CA 0.313 62.414 62.100 0.002 0.000 0.897 519 T CB 0.999 69.870 68.868 0.004 0.000 1.178 519 T HN 0.221 nan 8.240 nan 0.000 0.543 520 G N 1.685 110.322 108.800 -0.270 0.000 2.153 520 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.252 520 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.252 520 G C -0.162 174.713 174.900 -0.041 0.000 0.994 520 G CA 0.157 45.040 45.100 -0.362 0.000 0.698 520 G HN 0.795 nan 8.290 nan 0.000 0.521 521 N N -0.313 118.364 118.700 -0.038 0.000 2.500 521 N HA 0.346 5.086 4.740 -0.000 0.000 0.291 521 N C -1.504 173.897 175.510 -0.181 0.000 1.092 521 N CA -1.119 51.836 53.050 -0.159 0.000 0.890 521 N CB 2.412 40.805 38.487 -0.157 0.000 1.466 521 N HN -0.035 nan 8.380 nan 0.000 0.507 522 P HA -0.037 nan 4.420 nan 0.000 0.220 522 P C 0.222 177.423 177.300 -0.165 0.000 1.148 522 P CA 0.544 63.451 63.100 -0.322 0.000 0.803 522 P CB 0.394 31.609 31.700 -0.809 0.000 0.782 523 A N 0.495 123.171 122.820 -0.240 0.000 2.401 523 A HA 0.332 4.652 4.320 -0.000 0.000 0.259 523 A C 0.152 177.751 177.584 0.025 0.000 1.103 523 A CA -0.251 51.795 52.037 0.015 0.000 0.789 523 A CB 0.065 19.110 19.000 0.074 0.000 1.035 523 A HN 0.114 nan 8.150 nan 0.000 0.491 524 Q N 1.026 120.868 119.800 0.071 0.000 2.240 524 Q HA 0.502 4.842 4.340 -0.000 0.000 0.260 524 Q C -0.611 175.432 176.000 0.073 0.000 1.018 524 Q CA -0.799 55.039 55.803 0.059 0.000 0.898 524 Q CB 0.216 28.991 28.738 0.061 0.000 1.301 524 Q HN 0.771 nan 8.270 nan 0.000 0.469 525 D N -0.759 119.677 120.400 0.061 0.000 2.390 525 D HA 0.317 4.957 4.640 -0.000 0.000 0.236 525 D C 1.010 177.354 176.300 0.074 0.000 1.189 525 D CA 0.511 54.549 54.000 0.064 0.000 0.887 525 D CB 0.135 40.966 40.800 0.051 0.000 1.198 525 D HN 0.739 nan 8.370 nan 0.000 0.444 526 G N 0.360 109.205 108.800 0.076 0.000 2.550 526 G HA2 -0.369 3.590 3.960 -0.000 0.000 0.233 526 G HA3 -0.369 3.590 3.960 -0.000 0.000 0.233 526 G C 0.257 175.217 174.900 0.100 0.000 1.170 526 G CA 0.378 45.525 45.100 0.078 0.000 0.693 526 G HN 0.881 nan 8.290 nan 0.000 0.512 527 E N 1.620 121.891 120.200 0.119 0.000 2.194 527 E HA 0.375 4.725 4.350 -0.000 0.000 0.284 527 E C -0.517 176.199 176.600 0.194 0.000 1.035 527 E CA -0.406 56.091 56.400 0.161 0.000 0.836 527 E CB 0.369 30.167 29.700 0.163 0.000 1.070 527 E HN 0.278 nan 8.360 nan 0.000 0.401 528 E N 4.086 124.414 120.200 0.213 0.000 2.229 528 E HA 0.106 4.456 4.350 -0.000 0.000 0.283 528 E C -1.111 175.714 176.600 0.375 0.000 1.030 528 E CA -0.186 56.358 56.400 0.241 0.000 0.836 528 E CB 0.727 30.533 29.700 0.176 0.000 1.068 528 E HN 0.480 nan 8.360 nan 0.000 0.401 529 W N 6.813 128.216 121.300 0.172 0.000 2.534 529 W HA 0.311 4.971 4.660 -0.000 0.000 0.292 529 W C -2.744 173.959 176.519 0.306 0.000 1.027 529 W CA -2.652 54.837 57.345 0.239 0.000 1.304 529 W CB 0.724 30.259 29.460 0.125 0.000 1.187 529 W HN 0.276 nan 8.180 nan 0.000 0.356 530 P HA 0.060 nan 4.420 nan 0.000 0.271 530 P C 0.407 177.880 177.300 0.288 0.000 1.218 530 P CA 0.378 63.693 63.100 0.359 0.000 0.780 530 P CB 0.875 32.720 31.700 0.242 0.000 0.901 531 N N 1.046 119.772 118.700 0.044 0.000 2.381 531 N HA 0.048 4.788 4.740 -0.000 0.000 0.241 531 N C -0.631 174.914 175.510 0.058 0.000 1.279 531 N CA 0.379 53.306 53.050 -0.206 0.000 0.896 531 N CB 0.202 38.598 38.487 -0.151 0.000 1.118 531 N HN 0.360 nan 8.380 nan 0.000 0.438 532 F N 1.059 120.976 119.950 -0.056 0.000 2.436 532 F HA 0.397 4.924 4.527 -0.000 0.000 0.340 532 F C -0.110 175.706 175.800 0.027 0.000 1.113 532 F CA -0.432 57.605 58.000 0.061 0.000 1.022 532 F CB 0.821 39.933 39.000 0.188 0.000 1.128 532 F HN 0.415 nan 8.300 nan 0.000 0.466 533 S N 4.810 120.147 115.700 -0.605 0.000 2.625 533 S HA 0.293 4.763 4.470 -0.000 0.000 0.271 533 S C 0.328 174.561 174.600 -0.612 0.000 1.161 533 S CA -0.853 57.102 58.200 -0.409 0.000 0.820 533 S CB 1.774 64.871 63.200 -0.172 0.000 1.137 533 S HN 0.857 nan 8.310 nan 0.000 0.470 534 K N 0.404 120.606 120.400 -0.331 0.000 2.103 534 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 534 K C 1.256 177.728 176.600 -0.214 0.000 1.048 534 K CA 2.104 58.242 56.287 -0.249 0.000 0.930 534 K CB -0.345 32.091 32.500 -0.106 0.000 0.716 534 K HN 0.642 nan 8.250 nan 0.000 0.444 535 E N 0.820 120.915 120.200 -0.175 0.000 2.085 535 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 535 E C 0.175 176.694 176.600 -0.135 0.000 0.994 535 E CA 1.413 57.740 56.400 -0.123 0.000 0.801 535 E CB -0.036 29.609 29.700 -0.092 0.000 0.743 535 E HN 0.322 nan 8.360 nan 0.000 0.453 536 D N -1.266 119.018 120.400 -0.194 0.000 2.364 536 D HA 0.177 4.817 4.640 -0.000 0.000 0.251 536 D C -2.686 173.449 176.300 -0.276 0.000 1.282 536 D CA -2.203 51.697 54.000 -0.165 0.000 0.927 536 D CB 0.913 41.658 40.800 -0.091 0.000 1.267 536 D HN -0.225 nan 8.370 nan 0.000 0.531 537 P HA 0.072 nan 4.420 nan 0.000 0.232 537 P C -0.325 177.063 177.300 0.148 0.000 1.738 537 P CA -0.189 62.666 63.100 -0.407 0.000 0.948 537 P CB 0.022 31.626 31.700 -0.160 0.000 1.943 538 V N 1.439 121.456 119.914 0.171 0.000 2.583 538 V HA 0.290 4.410 4.120 -0.000 0.000 0.287 538 V C 0.126 176.512 176.094 0.486 0.000 1.051 538 V CA -0.496 61.925 62.300 0.203 0.000 1.010 538 V CB -0.551 31.367 31.823 0.159 0.000 0.988 538 V HN 0.305 nan 8.190 nan 0.000 0.478 539 Y N 2.169 122.622 120.300 0.254 0.000 2.545 539 Y HA 0.720 5.270 4.550 -0.000 0.000 0.348 539 Y C -1.048 174.910 175.900 0.096 0.000 1.002 539 Y CA -1.979 56.312 58.100 0.318 0.000 1.039 539 Y CB 1.263 39.886 38.460 0.272 0.000 1.271 539 Y HN 0.542 nan 8.280 nan 0.000 0.467 540 Y N 3.689 123.938 120.300 -0.085 0.000 2.313 540 Y HA 0.517 5.067 4.550 -0.000 0.000 0.332 540 Y C -0.456 175.259 175.900 -0.309 0.000 1.071 540 Y CA -1.025 56.684 58.100 -0.652 0.000 1.169 540 Y CB 0.704 38.010 38.460 -1.923 0.000 1.192 540 Y HN 0.577 nan 8.280 nan 0.000 0.487 541 I N 6.939 127.181 120.570 -0.547 0.000 2.365 541 I HA 0.082 4.252 4.170 -0.000 0.000 0.291 541 I C -0.797 175.141 176.117 -0.297 0.000 1.004 541 I CA -0.446 60.749 61.300 -0.175 0.000 1.311 541 I CB 0.371 38.316 38.000 -0.093 0.000 1.401 541 I HN 0.510 nan 8.210 nan 0.000 0.491 542 F N 4.419 124.429 119.950 0.099 0.000 2.361 542 F HA 0.460 4.987 4.527 -0.000 0.000 0.364 542 F C 0.591 176.330 175.800 -0.103 0.000 1.117 542 F CA -0.224 57.827 58.000 0.084 0.000 1.071 542 F CB 1.326 40.466 39.000 0.232 0.000 1.188 542 F HN 0.414 nan 8.300 nan 0.000 0.464 543 S N 0.797 116.566 115.700 0.114 0.000 2.587 543 S HA 0.377 4.847 4.470 -0.000 0.000 0.269 543 S C 0.557 175.173 174.600 0.027 0.000 1.154 543 S CA -0.022 58.180 58.200 0.003 0.000 0.824 543 S CB 1.114 64.305 63.200 -0.013 0.000 1.118 543 S HN 0.635 nan 8.310 nan 0.000 0.462 544 T N -0.825 113.769 114.554 0.067 0.000 3.035 544 T HA 0.134 4.484 4.350 -0.000 0.000 0.259 544 T C 0.494 175.234 174.700 0.067 0.000 1.078 544 T CA 0.510 62.642 62.100 0.054 0.000 1.132 544 T CB -0.429 68.494 68.868 0.091 0.000 0.900 544 T HN 0.518 nan 8.240 nan 0.000 0.480 545 D N 3.497 123.938 120.400 0.069 0.000 2.412 545 D HA 0.001 4.640 4.640 -0.000 0.000 0.257 545 D C 0.511 176.821 176.300 0.017 0.000 1.217 545 D CA -0.033 53.989 54.000 0.037 0.000 0.897 545 D CB 0.668 41.480 40.800 0.020 0.000 1.132 545 D HN 0.469 nan 8.370 nan 0.000 0.493 546 D N 2.710 123.120 120.400 0.018 0.000 2.339 546 D HA -0.055 4.585 4.640 -0.000 0.000 0.217 546 D C 0.841 177.140 176.300 -0.002 0.000 1.050 546 D CA 0.135 54.141 54.000 0.009 0.000 0.856 546 D CB 0.082 40.895 40.800 0.020 0.000 0.922 546 D HN 0.366 nan 8.370 nan 0.000 0.518 547 K N 0.324 120.723 120.400 -0.002 0.000 2.305 547 K HA 0.122 4.442 4.320 -0.000 0.000 0.199 547 K C 1.179 177.769 176.600 -0.017 0.000 1.047 547 K CA 0.134 56.418 56.287 -0.005 0.000 0.976 547 K CB 0.080 32.580 32.500 0.001 0.000 0.765 547 K HN 0.322 nan 8.250 nan 0.000 0.474 548 I N -0.763 119.791 120.570 -0.026 0.000 3.079 548 I HA 0.134 4.304 4.170 -0.000 0.000 0.295 548 I C 0.064 176.139 176.117 -0.070 0.000 1.094 548 I CA -0.756 60.519 61.300 -0.041 0.000 1.295 548 I CB 0.509 38.486 38.000 -0.039 0.000 1.443 548 I HN -0.224 nan 8.210 nan 0.000 0.607 549 E N 2.775 122.925 120.200 -0.084 0.000 2.129 549 E HA 0.132 4.482 4.350 -0.000 0.000 0.283 549 E C 0.460 176.941 176.600 -0.199 0.000 1.080 549 E CA -0.189 56.141 56.400 -0.116 0.000 0.867 549 E CB 0.591 30.230 29.700 -0.102 0.000 1.056 549 E HN 0.489 nan 8.360 nan 0.000 0.404 550 K N 2.783 123.031 120.400 -0.253 0.000 2.071 550 K HA -0.174 4.146 4.320 -0.000 0.000 0.217 550 K C 0.661 176.900 176.600 -0.602 0.000 1.054 550 K CA 1.558 57.542 56.287 -0.504 0.000 0.937 550 K CB -0.965 31.233 32.500 -0.503 0.000 0.719 550 K HN 0.527 nan 8.250 nan 0.000 0.454 551 L N -2.986 117.998 121.223 -0.398 0.000 2.346 551 L HA 0.766 5.106 4.340 -0.000 0.000 0.276 551 L C -0.443 176.211 176.870 -0.360 0.000 1.006 551 L CA -0.782 53.831 54.840 -0.379 0.000 0.817 551 L CB 2.380 44.304 42.059 -0.226 0.000 1.272 551 L HN -0.000 nan 8.230 nan 0.000 0.421 552 A N 2.497 124.948 122.820 -0.614 0.000 2.564 552 A HA 0.935 5.254 4.320 -0.000 0.000 0.288 552 A C 0.050 177.087 177.584 -0.910 0.000 1.164 552 A CA -0.681 50.993 52.037 -0.606 0.000 0.712 552 A CB 1.683 20.405 19.000 -0.464 0.000 1.303 552 A HN 0.897 nan 8.150 nan 0.000 0.418 553 R N -0.159 120.099 120.500 -0.403 0.000 2.504 553 R HA 0.195 4.535 4.340 -0.000 0.000 0.341 553 R C 0.920 177.273 176.300 0.089 0.000 0.905 553 R CA 0.601 56.648 56.100 -0.089 0.000 1.133 553 R CB 0.137 30.408 30.300 -0.049 0.000 1.704 553 R HN 0.763 nan 8.270 nan 0.000 0.503 554 G N 2.735 111.559 108.800 0.040 0.000 2.439 554 G HA2 0.009 3.969 3.960 -0.000 0.000 0.212 554 G HA3 0.009 3.969 3.960 -0.000 0.000 0.212 554 G C -0.860 174.099 174.900 0.099 0.000 1.199 554 G CA 0.354 45.490 45.100 0.060 0.000 0.807 554 G HN 0.132 nan 8.290 nan 0.000 0.537 555 P HA -0.066 nan 4.420 nan 0.000 0.215 555 P C 2.080 179.408 177.300 0.046 0.000 1.157 555 P CA 0.798 63.955 63.100 0.095 0.000 0.874 555 P CB -0.079 31.690 31.700 0.116 0.000 0.790 556 L N -1.354 119.865 121.223 -0.007 0.000 2.056 556 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 556 L C 2.448 179.319 176.870 0.002 0.000 1.078 556 L CA 1.506 56.250 54.840 -0.160 0.000 0.749 556 L CB -1.155 40.575 42.059 -0.549 0.000 0.901 556 L HN -0.036 nan 8.230 nan 0.000 0.433 557 A N 0.250 123.110 122.820 0.067 0.000 1.883 557 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 557 A C 2.533 180.169 177.584 0.086 0.000 1.186 557 A CA 2.038 54.123 52.037 0.080 0.000 0.624 557 A CB -0.784 18.260 19.000 0.073 0.000 0.822 557 A HN 0.424 nan 8.150 nan 0.000 0.444 558 A N -0.549 122.314 122.820 0.073 0.000 1.902 558 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 558 A C 2.271 179.915 177.584 0.099 0.000 1.181 558 A CA 1.602 53.679 52.037 0.066 0.000 0.623 558 A CB -0.496 18.527 19.000 0.039 0.000 0.818 558 A HN 0.557 nan 8.150 nan 0.000 0.443 559 R N -0.963 119.609 120.500 0.121 0.000 2.082 559 R HA -0.166 4.173 4.340 -0.000 0.000 0.234 559 R C 2.187 178.708 176.300 0.370 0.000 1.136 559 R CA 1.838 58.062 56.100 0.207 0.000 0.935 559 R CB -0.767 29.664 30.300 0.218 0.000 0.842 559 R HN 0.597 nan 8.270 nan 0.000 0.430 560 c N -0.088 118.708 118.600 0.327 0.000 2.456 560 c HA 0.017 4.587 4.570 -0.000 0.000 0.279 560 c C 2.885 177.169 174.090 0.324 0.000 1.427 560 c CA 0.363 56.928 56.329 0.395 0.000 1.778 560 c CB -0.709 41.956 42.510 0.258 0.000 1.842 560 c HN 0.561 nan 8.230 nan 0.000 0.531 561 S N 0.772 116.613 115.700 0.234 0.000 2.370 561 S HA -0.223 4.247 4.470 -0.000 0.000 0.226 561 S C 1.623 176.347 174.600 0.207 0.000 1.033 561 S CA 1.686 59.992 58.200 0.177 0.000 1.011 561 S CB -0.461 62.814 63.200 0.124 0.000 0.852 561 S HN 0.615 nan 8.310 nan 0.000 0.457 562 F N 0.666 120.662 119.950 0.076 0.000 2.046 562 F HA -0.054 4.473 4.527 -0.000 0.000 0.297 562 F C 1.686 177.486 175.800 0.000 0.000 1.123 562 F CA 1.869 59.865 58.000 -0.006 0.000 1.199 562 F CB -0.852 38.019 39.000 -0.215 0.000 0.972 562 F HN 0.319 nan 8.300 nan 0.000 0.474 563 W N 0.600 121.962 121.300 0.103 0.000 2.418 563 W HA -0.092 4.568 4.660 -0.000 0.000 0.292 563 W C 1.900 178.393 176.519 -0.042 0.000 1.213 563 W CA 1.026 58.351 57.345 -0.033 0.000 1.283 563 W CB -0.549 29.021 29.460 0.183 0.000 1.119 563 W HN -0.021 nan 8.180 nan 0.000 0.542 564 N N -0.493 118.358 118.700 0.252 0.000 2.280 564 N HA -0.018 4.722 4.740 -0.000 0.000 0.192 564 N C 0.238 175.797 175.510 0.082 0.000 1.109 564 N CA 0.853 53.995 53.050 0.154 0.000 0.855 564 N CB 0.139 38.724 38.487 0.164 0.000 0.974 564 N HN 0.257 nan 8.380 nan 0.000 0.482 565 D N -1.014 119.423 120.400 0.061 0.000 2.954 565 D HA -0.022 4.618 4.640 -0.000 0.000 0.266 565 D C 1.384 177.701 176.300 0.027 0.000 1.277 565 D CA -0.032 53.998 54.000 0.049 0.000 1.130 565 D CB -0.117 40.731 40.800 0.081 0.000 1.440 565 D HN 0.026 nan 8.370 nan 0.000 0.427 566 Y N 2.073 122.301 120.300 -0.120 0.000 2.130 566 Y HA -0.045 4.505 4.550 -0.000 0.000 0.287 566 Y C 2.208 177.950 175.900 -0.263 0.000 1.124 566 Y CA 1.042 59.045 58.100 -0.161 0.000 1.118 566 Y CB -0.494 37.891 38.460 -0.125 0.000 0.994 566 Y HN -0.147 nan 8.280 nan 0.000 0.497 567 L N 1.050 121.890 121.223 -0.639 0.000 2.081 567 L HA -0.147 4.192 4.340 -0.000 0.000 0.212 567 L C -0.921 175.690 176.870 -0.432 0.000 1.080 567 L CA 2.065 56.464 54.840 -0.735 0.000 0.754 567 L CB -1.658 39.902 42.059 -0.833 0.000 0.893 567 L HN 0.144 nan 8.230 nan 0.000 0.433 568 P HA -0.162 nan 4.420 nan 0.000 0.220 568 P C 1.309 178.503 177.300 -0.178 0.000 1.148 568 P CA 1.499 64.503 63.100 -0.159 0.000 0.803 568 P CB 0.051 31.700 31.700 -0.086 0.000 0.782 569 K N -0.904 119.351 120.400 -0.242 0.000 2.076 569 K HA -0.021 4.298 4.320 -0.000 0.000 0.204 569 K C 1.935 178.377 176.600 -0.263 0.000 1.051 569 K CA 0.959 57.117 56.287 -0.214 0.000 0.949 569 K CB -0.854 31.529 32.500 -0.194 0.000 0.726 569 K HN -0.034 nan 8.250 nan 0.000 0.443 570 V N 1.714 121.367 119.914 -0.434 0.000 2.332 570 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 570 V C 2.357 178.321 176.094 -0.216 0.000 1.055 570 V CA 1.716 63.796 62.300 -0.368 0.000 1.038 570 V CB -0.504 31.029 31.823 -0.483 0.000 0.651 570 V HN 0.296 nan 8.190 nan 0.000 0.450 571 R N 0.425 120.801 120.500 -0.206 0.000 2.154 571 R HA -0.136 4.204 4.340 -0.000 0.000 0.248 571 R C 1.121 177.368 176.300 -0.090 0.000 1.155 571 R CA 1.178 57.203 56.100 -0.125 0.000 0.979 571 R CB -0.290 29.945 30.300 -0.108 0.000 0.869 571 R HN 0.478 nan 8.270 nan 0.000 0.452 572 S N 0.351 115.993 115.700 -0.097 0.000 2.560 572 S HA 0.002 4.472 4.470 -0.000 0.000 0.323 572 S C 0.424 174.990 174.600 -0.057 0.000 1.191 572 S CA 0.288 58.447 58.200 -0.068 0.000 1.231 572 S CB -1.103 62.057 63.200 -0.068 0.000 1.224 572 S HN 0.436 nan 8.310 nan 0.000 0.545 573 W N 0.000 121.275 121.300 -0.042 0.000 2.388 573 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 573 W CA 0.000 57.326 57.345 -0.032 0.000 1.226 573 W CB 0.000 29.447 29.460 -0.022 0.000 1.126 573 W HN 0.000 nan 8.180 nan 0.000 0.535