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 3oeh_1_S DATA FIRST_RESID 27 DATA SEQUENCE LNETGRVLAV GDGIARVFGL NNIQAEELVE FSSGVKGMAL NLEPGQVGIV DATA SEQUENCE LFGSDRLVKE GELVKRTGNI VDVPVGPGLL GRVVDALGNP IDGKGPIDAA DATA SEQUENCE GRSRAQVKAP GILPRRSVHE PVQTGLKAVD ALVPIGRGQR ELIIGDRQTG DATA SEQUENCE KTAVALDTIL NQKRWNNGSD ESKKLYCVYV AVGQKRSTVA QLVQTLEQHD DATA SEQUENCE AMKYSIIVAA TASEAAPLQY LAPFTAASIG EWFRDNGKHA LIVYDDLSKQ DATA SEQUENCE AVAYRQLSLL LRRPPGREAY PGDVFYLHSR LLERAAKLSE KEGSGSLTAL DATA SEQUENCE PVIETQGGDV SAYIPTNVIS ITDGQIFLEA ELFYKGIRPA INVGLSVSRV DATA SEQUENCE GSAAQVKALK QVAGSLKLFL AQYREVAAFA QXXXXXDAST KQTLVRGERL DATA SEQUENCE TQLLKQNQYS PLATEEQVPL IYAGVNGHLD GIELSRIGEF ESSFLSYLKS DATA SEQUENCE NHNELLTEIR EKGELSKELL ASLKSATESF VAT 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 27 L HA 0.000 nan 4.340 nan 0.000 0.249 27 L C 0.000 176.799 176.870 -0.118 0.000 1.165 27 L CA 0.000 54.779 54.840 -0.102 0.000 0.813 27 L CB 0.000 41.975 42.059 -0.140 0.000 0.961 28 N N 0.870 119.518 118.700 -0.086 0.000 2.459 28 N HA -0.049 4.691 4.740 -0.000 0.000 0.181 28 N C 0.690 176.155 175.510 -0.075 0.000 1.046 28 N CA 1.122 54.124 53.050 -0.080 0.000 0.904 28 N CB 0.375 38.828 38.487 -0.058 0.000 0.964 28 N HN 0.485 nan 8.380 nan 0.000 0.444 29 E N -0.438 119.719 120.200 -0.073 0.000 2.641 29 E HA 0.071 4.421 4.350 -0.000 0.000 0.224 29 E C 0.377 176.930 176.600 -0.079 0.000 0.951 29 E CA 0.196 56.555 56.400 -0.067 0.000 1.102 29 E CB 0.752 30.421 29.700 -0.051 0.000 1.091 29 E HN 0.213 nan 8.360 nan 0.000 0.507 30 T N -1.406 113.095 114.554 -0.089 0.000 2.916 30 T HA 0.786 5.136 4.350 -0.000 0.000 0.292 30 T C 0.215 174.848 174.700 -0.112 0.000 1.055 30 T CA -0.826 61.219 62.100 -0.092 0.000 1.009 30 T CB 2.582 71.410 68.868 -0.067 0.000 1.118 30 T HN 0.021 nan 8.240 nan 0.000 0.497 31 G N 0.470 109.205 108.800 -0.108 0.000 2.719 31 G HA2 0.596 4.556 3.960 -0.000 0.000 0.298 31 G HA3 0.596 4.556 3.960 -0.000 0.000 0.298 31 G C -1.474 173.404 174.900 -0.037 0.000 1.411 31 G CA -1.048 43.996 45.100 -0.092 0.000 0.991 31 G HN 0.648 nan 8.290 nan 0.000 0.509 32 R N 0.461 120.985 120.500 0.040 0.000 2.294 32 R HA 0.499 4.839 4.340 -0.000 0.000 0.319 32 R C 0.151 176.516 176.300 0.109 0.000 0.984 32 R CA -0.514 55.637 56.100 0.085 0.000 0.861 32 R CB 1.653 32.032 30.300 0.133 0.000 1.104 32 R HN 0.336 nan 8.270 nan 0.000 0.451 33 V N 6.219 126.193 119.914 0.101 0.000 2.458 33 V HA -0.056 4.064 4.120 -0.000 0.000 0.287 33 V C 1.551 177.708 176.094 0.105 0.000 1.009 33 V CA 0.466 62.842 62.300 0.127 0.000 1.091 33 V CB 0.353 32.278 31.823 0.171 0.000 0.960 33 V HN 0.771 nan 8.190 nan 0.000 0.476 34 L N 4.349 125.634 121.223 0.103 0.000 2.095 34 L HA 0.282 4.622 4.340 -0.000 0.000 0.204 34 L C 1.001 177.901 176.870 0.051 0.000 1.080 34 L CA 1.392 56.274 54.840 0.069 0.000 0.759 34 L CB 0.068 42.169 42.059 0.069 0.000 0.914 34 L HN 0.810 nan 8.230 nan 0.000 0.439 35 A N -1.301 121.555 122.820 0.061 0.000 2.604 35 A HA 0.607 4.927 4.320 -0.000 0.000 0.295 35 A C -1.733 175.882 177.584 0.052 0.000 1.067 35 A CA -0.380 51.684 52.037 0.044 0.000 0.683 35 A CB 1.853 20.869 19.000 0.027 0.000 1.281 35 A HN -0.220 nan 8.150 nan 0.000 0.407 36 V N 0.787 120.720 119.914 0.032 0.000 2.577 36 V HA 0.934 5.054 4.120 -0.000 0.000 0.303 36 V C -0.105 175.985 176.094 -0.006 0.000 1.042 36 V CA 0.850 63.159 62.300 0.016 0.000 0.872 36 V CB 1.557 33.387 31.823 0.011 0.000 0.998 36 V HN 2.325 nan 8.190 nan 0.000 0.423 37 G N 3.401 112.190 108.800 -0.019 0.000 2.411 37 G HA2 0.440 4.400 3.960 -0.000 0.000 0.295 37 G HA3 0.440 4.400 3.960 -0.000 0.000 0.295 37 G C -0.539 174.339 174.900 -0.036 0.000 1.542 37 G CA 0.156 45.240 45.100 -0.026 0.000 0.814 37 G HN 0.855 nan 8.290 nan 0.000 0.557 38 D N -0.797 119.580 120.400 -0.039 0.000 3.070 38 D HA -0.251 4.389 4.640 -0.000 0.000 0.220 38 D C 1.551 177.816 176.300 -0.058 0.000 1.176 38 D CA 2.601 56.574 54.000 -0.046 0.000 0.924 38 D CB -0.944 39.830 40.800 -0.045 0.000 1.124 38 D HN 2.303 nan 8.370 nan 0.000 0.411 39 G N -0.484 108.276 108.800 -0.066 0.000 2.136 39 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.242 39 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.242 39 G C 0.091 174.943 174.900 -0.080 0.000 0.989 39 G CA 0.345 45.394 45.100 -0.085 0.000 0.682 39 G HN 0.442 nan 8.290 nan 0.000 0.522 40 I N 0.432 120.969 120.570 -0.055 0.000 2.465 40 I HA 0.726 4.896 4.170 -0.000 0.000 0.291 40 I C 0.246 176.369 176.117 0.009 0.000 1.014 40 I CA -1.151 60.134 61.300 -0.025 0.000 1.093 40 I CB 1.609 39.592 38.000 -0.027 0.000 1.267 40 I HN 0.437 nan 8.210 nan 0.000 0.431 41 A N 6.965 129.825 122.820 0.067 0.000 2.323 41 A HA 0.665 4.985 4.320 -0.000 0.000 0.305 41 A C -0.163 177.507 177.584 0.142 0.000 1.275 41 A CA -0.712 51.406 52.037 0.135 0.000 0.804 41 A CB 0.586 19.751 19.000 0.275 0.000 1.152 41 A HN 0.696 nan 8.150 nan 0.000 0.487 42 R N 0.911 121.471 120.500 0.100 0.000 2.389 42 R HA 0.523 4.863 4.340 -0.000 0.000 0.295 42 R C -0.820 175.545 176.300 0.109 0.000 1.075 42 R CA 0.006 56.159 56.100 0.088 0.000 1.005 42 R CB 1.181 31.518 30.300 0.062 0.000 0.987 42 R HN 0.420 nan 8.270 nan 0.000 0.452 43 V N 4.254 124.231 119.914 0.105 0.000 2.760 43 V HA 0.308 4.428 4.120 -0.000 0.000 0.309 43 V C -0.716 175.462 176.094 0.141 0.000 1.077 43 V CA -0.961 61.403 62.300 0.107 0.000 0.910 43 V CB 1.737 33.588 31.823 0.047 0.000 1.008 43 V HN 0.615 nan 8.190 nan 0.000 0.424 44 F N 3.453 123.404 119.950 0.001 0.000 2.371 44 F HA 0.691 5.217 4.527 -0.000 0.000 0.329 44 F C 1.148 176.940 175.800 -0.012 0.000 1.107 44 F CA 1.586 59.584 58.000 -0.003 0.000 1.137 44 F CB 1.315 40.315 39.000 -0.000 0.000 1.214 44 F HN 0.942 nan 8.300 nan 0.000 0.536 45 G N 3.297 111.498 108.800 -0.998 0.000 2.523 45 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.271 45 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.271 45 G C 0.089 174.785 174.900 -0.340 0.000 1.146 45 G CA -0.194 44.440 45.100 -0.777 0.000 0.961 45 G HN 1.667 nan 8.290 nan 0.000 0.549 46 L N 0.071 121.153 121.223 -0.235 0.000 3.854 46 L HA -0.189 4.151 4.340 -0.000 0.000 0.460 46 L C 1.470 178.266 176.870 -0.124 0.000 1.228 46 L CA 1.556 56.307 54.840 -0.148 0.000 0.760 46 L CB -1.386 40.603 42.059 -0.118 0.000 1.597 46 L HN 0.666 nan 8.230 nan 0.000 0.852 47 N N -0.014 118.605 118.700 -0.135 0.000 2.142 47 N HA -0.042 4.698 4.740 -0.000 0.000 0.186 47 N C 0.925 176.395 175.510 -0.067 0.000 1.023 47 N CA 1.499 54.486 53.050 -0.104 0.000 0.852 47 N CB -0.155 38.267 38.487 -0.109 0.000 0.998 47 N HN 0.511 nan 8.380 nan 0.000 0.424 48 N N 0.797 119.460 118.700 -0.062 0.000 2.484 48 N HA 0.068 4.808 4.740 -0.000 0.000 0.245 48 N C -0.542 174.945 175.510 -0.038 0.000 1.184 48 N CA -0.099 52.925 53.050 -0.044 0.000 0.884 48 N CB -0.171 38.293 38.487 -0.040 0.000 1.182 48 N HN 0.254 nan 8.380 nan 0.000 0.493 49 I N 0.880 121.426 120.570 -0.039 0.000 2.342 49 I HA 0.079 4.249 4.170 -0.000 0.000 0.291 49 I C 0.242 176.350 176.117 -0.015 0.000 1.010 49 I CA -0.450 60.832 61.300 -0.030 0.000 1.308 49 I CB 0.771 38.751 38.000 -0.035 0.000 1.400 49 I HN 0.037 nan 8.210 nan 0.000 0.488 50 Q N 5.337 125.132 119.800 -0.008 0.000 2.354 50 Q HA 0.531 4.871 4.340 -0.000 0.000 0.244 50 Q C -0.111 175.896 176.000 0.010 0.000 0.969 50 Q CA -0.717 55.087 55.803 0.001 0.000 0.885 50 Q CB 0.979 29.718 28.738 0.002 0.000 1.241 50 Q HN 0.810 nan 8.270 nan 0.000 0.461 51 A N 2.272 125.101 122.820 0.015 0.000 2.524 51 A HA 0.054 4.374 4.320 -0.000 0.000 0.250 51 A C 0.075 177.676 177.584 0.029 0.000 1.078 51 A CA 0.201 52.252 52.037 0.023 0.000 0.761 51 A CB -0.225 18.790 19.000 0.025 0.000 1.012 51 A HN 0.951 nan 8.150 nan 0.000 0.500 52 E N -0.183 120.041 120.200 0.041 0.000 2.957 52 E HA -0.168 4.182 4.350 -0.000 0.000 0.287 52 E C -0.026 176.612 176.600 0.062 0.000 0.976 52 E CA 1.049 57.483 56.400 0.057 0.000 0.907 52 E CB -1.361 28.366 29.700 0.044 0.000 1.456 52 E HN 0.896 nan 8.360 nan 0.000 0.421 53 E N 0.918 121.149 120.200 0.051 0.000 2.283 53 E HA 0.295 4.645 4.350 -0.000 0.000 0.278 53 E C -0.236 176.398 176.600 0.056 0.000 1.027 53 E CA -0.659 55.764 56.400 0.039 0.000 0.843 53 E CB 0.823 30.533 29.700 0.016 0.000 1.062 53 E HN 0.065 nan 8.360 nan 0.000 0.401 54 L N 4.934 126.179 121.223 0.037 0.000 2.485 54 L HA 0.071 4.411 4.340 -0.000 0.000 0.275 54 L C -0.410 176.468 176.870 0.013 0.000 1.207 54 L CA 0.452 55.304 54.840 0.022 0.000 0.855 54 L CB 0.905 42.941 42.059 -0.038 0.000 1.114 54 L HN 0.387 nan 8.230 nan 0.000 0.485 55 V N 1.020 120.956 119.914 0.036 0.000 3.156 55 V HA 0.748 4.868 4.120 -0.000 0.000 0.310 55 V C -0.922 175.190 176.094 0.031 0.000 1.234 55 V CA -0.855 61.440 62.300 -0.009 0.000 1.065 55 V CB 1.869 33.642 31.823 -0.083 0.000 1.088 55 V HN 0.842 nan 8.190 nan 0.000 0.451 56 E N -0.104 120.072 120.200 -0.040 0.000 2.321 56 E HA 0.589 4.939 4.350 -0.000 0.000 0.278 56 E C -1.987 174.598 176.600 -0.024 0.000 0.902 56 E CA -0.571 55.873 56.400 0.073 0.000 0.758 56 E CB 2.342 32.066 29.700 0.040 0.000 1.213 56 E HN 0.588 nan 8.360 nan 0.000 0.426 57 F N 0.617 120.582 119.950 0.024 0.000 2.403 57 F HA 0.280 4.807 4.527 -0.000 0.000 0.326 57 F C 1.803 177.614 175.800 0.019 0.000 1.099 57 F CA -0.462 57.553 58.000 0.025 0.000 1.036 57 F CB 0.937 39.958 39.000 0.035 0.000 1.336 57 F HN 0.424 nan 8.300 nan 0.000 0.497 58 S N -0.243 115.589 115.700 0.219 0.000 2.382 58 S HA -0.157 4.313 4.470 -0.000 0.000 0.228 58 S C 2.128 176.790 174.600 0.104 0.000 1.027 58 S CA 1.560 59.832 58.200 0.120 0.000 0.991 58 S CB -0.453 62.806 63.200 0.099 0.000 0.823 58 S HN 0.685 nan 8.310 nan 0.000 0.469 59 S N 0.038 115.812 115.700 0.122 0.000 2.357 59 S HA 0.251 4.721 4.470 -0.000 0.000 0.221 59 S C 1.673 176.314 174.600 0.069 0.000 1.031 59 S CA 1.160 59.406 58.200 0.077 0.000 0.982 59 S CB -0.312 62.921 63.200 0.055 0.000 0.853 59 S HN 0.643 nan 8.310 nan 0.000 0.458 60 G N -0.050 108.805 108.800 0.092 0.000 3.465 60 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.219 60 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.219 60 G C -0.060 174.889 174.900 0.083 0.000 0.984 60 G CA -0.041 45.103 45.100 0.074 0.000 0.864 60 G HN 0.550 nan 8.290 nan 0.000 0.485 61 V N 2.050 122.015 119.914 0.086 0.000 2.775 61 V HA 0.552 4.672 4.120 -0.000 0.000 0.299 61 V C 0.428 176.622 176.094 0.168 0.000 1.062 61 V CA -0.115 62.236 62.300 0.084 0.000 1.063 61 V CB 1.313 33.157 31.823 0.036 0.000 0.994 61 V HN 0.288 nan 8.190 nan 0.000 0.483 62 K N 3.210 123.693 120.400 0.137 0.000 2.090 62 K HA 0.691 5.011 4.320 -0.000 0.000 0.249 62 K C 0.050 176.866 176.600 0.361 0.000 0.995 62 K CA 0.001 56.377 56.287 0.148 0.000 0.914 62 K CB 1.520 33.942 32.500 -0.129 0.000 1.057 62 K HN 0.896 nan 8.250 nan 0.000 0.462 63 G N 0.385 109.449 108.800 0.441 0.000 2.733 63 G HA2 0.642 4.602 3.960 -0.000 0.000 0.288 63 G HA3 0.642 4.602 3.960 -0.000 0.000 0.288 63 G C -1.711 173.521 174.900 0.554 0.000 1.373 63 G CA -0.711 44.786 45.100 0.661 0.000 0.895 63 G HN 0.498 nan 8.290 nan 0.000 0.479 64 M N 0.892 120.819 119.600 0.545 0.000 2.263 64 M HA 0.654 5.134 4.480 -0.000 0.000 0.295 64 M C -0.662 175.757 176.300 0.197 0.000 1.028 64 M CA -0.856 54.667 55.300 0.371 0.000 0.921 64 M CB 2.033 34.919 32.600 0.478 0.000 1.601 64 M HN 0.684 nan 8.290 nan 0.000 0.440 65 A N 5.517 128.417 122.820 0.132 0.000 2.415 65 A HA 0.452 4.772 4.320 -0.000 0.000 0.309 65 A C 0.009 177.629 177.584 0.061 0.000 1.356 65 A CA -0.385 51.700 52.037 0.081 0.000 0.998 65 A CB -0.171 18.859 19.000 0.050 0.000 1.145 65 A HN 1.080 nan 8.150 nan 0.000 0.545 66 L N 1.542 122.792 121.223 0.045 0.000 2.425 66 L HA 0.178 4.518 4.340 -0.000 0.000 0.215 66 L C 0.168 177.052 176.870 0.023 0.000 1.065 66 L CA 0.320 55.176 54.840 0.027 0.000 0.842 66 L CB 0.257 42.313 42.059 -0.005 0.000 1.033 66 L HN 0.596 nan 8.230 nan 0.000 0.474 67 N N 0.613 119.326 118.700 0.021 0.000 2.558 67 N HA 0.363 5.103 4.740 -0.000 0.000 0.242 67 N C -1.180 174.343 175.510 0.022 0.000 0.979 67 N CA -0.097 52.964 53.050 0.019 0.000 0.931 67 N CB 0.964 39.458 38.487 0.012 0.000 1.122 67 N HN -0.006 nan 8.380 nan 0.000 0.508 68 L N 1.842 123.077 121.223 0.021 0.000 2.268 68 L HA 0.404 4.744 4.340 -0.000 0.000 0.289 68 L C 0.531 177.412 176.870 0.018 0.000 1.064 68 L CA -0.233 54.617 54.840 0.017 0.000 0.824 68 L CB 0.505 42.572 42.059 0.012 0.000 1.202 68 L HN 0.337 nan 8.230 nan 0.000 0.433 69 E N 3.445 123.658 120.200 0.022 0.000 2.264 69 E HA 0.322 4.672 4.350 -0.000 0.000 0.260 69 E C -1.624 174.995 176.600 0.031 0.000 0.961 69 E CA -1.791 54.625 56.400 0.026 0.000 0.834 69 E CB 1.622 31.339 29.700 0.030 0.000 1.230 69 E HN 0.295 nan 8.360 nan 0.000 0.412 70 P HA -0.120 nan 4.420 nan 0.000 0.217 70 P C 0.750 178.087 177.300 0.061 0.000 1.148 70 P CA 1.154 64.276 63.100 0.038 0.000 0.828 70 P CB 0.248 31.969 31.700 0.034 0.000 0.783 71 G N -2.408 106.442 108.800 0.082 0.000 2.945 71 G HA2 0.134 4.094 3.960 -0.000 0.000 0.225 71 G HA3 0.134 4.094 3.960 -0.000 0.000 0.225 71 G C 0.224 175.242 174.900 0.197 0.000 1.046 71 G CA -0.031 45.160 45.100 0.152 0.000 0.842 71 G HN 0.435 nan 8.290 nan 0.000 0.543 72 Q N -0.846 119.023 119.800 0.116 0.000 2.626 72 Q HA 0.698 5.038 4.340 -0.000 0.000 0.300 72 Q C -1.980 174.055 176.000 0.057 0.000 0.988 72 Q CA -0.919 54.949 55.803 0.108 0.000 0.761 72 Q CB 2.213 31.018 28.738 0.112 0.000 1.494 72 Q HN -0.084 nan 8.270 nan 0.000 0.439 73 V N 0.226 120.171 119.914 0.050 0.000 2.604 73 V HA 0.684 4.804 4.120 -0.000 0.000 0.305 73 V C 0.030 176.155 176.094 0.052 0.000 1.043 73 V CA -0.372 61.949 62.300 0.036 0.000 0.888 73 V CB 1.744 33.576 31.823 0.016 0.000 0.995 73 V HN 0.876 nan 8.190 nan 0.000 0.429 74 G N 4.738 113.565 108.800 0.045 0.000 2.571 74 G HA2 0.611 4.571 3.960 -0.000 0.000 0.327 74 G HA3 0.611 4.571 3.960 -0.000 0.000 0.327 74 G C -0.522 174.414 174.900 0.059 0.000 1.008 74 G CA -0.254 44.873 45.100 0.047 0.000 1.136 74 G HN 0.615 nan 8.290 nan 0.000 0.444 75 I N 2.903 123.535 120.570 0.104 0.000 2.315 75 I HA 0.181 4.351 4.170 -0.000 0.000 0.291 75 I C 0.648 176.839 176.117 0.124 0.000 1.006 75 I CA -0.919 60.474 61.300 0.154 0.000 1.265 75 I CB 1.840 40.005 38.000 0.275 0.000 1.387 75 I HN 0.304 nan 8.210 nan 0.000 0.475 76 V N 5.956 125.910 119.914 0.066 0.000 2.686 76 V HA 0.429 4.549 4.120 -0.000 0.000 0.295 76 V C -0.074 176.004 176.094 -0.027 0.000 1.055 76 V CA -0.588 61.687 62.300 -0.041 0.000 1.050 76 V CB 0.947 32.677 31.823 -0.154 0.000 0.984 76 V HN 0.497 nan 8.190 nan 0.000 0.482 77 L N 3.669 124.828 121.223 -0.107 0.000 2.343 77 L HA 0.483 4.823 4.340 -0.000 0.000 0.275 77 L C 0.307 177.089 176.870 -0.146 0.000 1.056 77 L CA -0.307 54.494 54.840 -0.065 0.000 0.804 77 L CB 1.353 43.326 42.059 -0.144 0.000 1.203 77 L HN 0.629 nan 8.230 nan 0.000 0.440 78 F N 0.370 120.314 119.950 -0.009 0.000 2.727 78 F HA 0.334 4.861 4.527 -0.000 0.000 0.302 78 F C 1.160 176.961 175.800 0.002 0.000 1.097 78 F CA -0.117 57.895 58.000 0.019 0.000 1.330 78 F CB 0.864 39.892 39.000 0.046 0.000 1.084 78 F HN 0.536 nan 8.300 nan 0.000 0.578 79 G N -1.129 107.727 108.800 0.093 0.000 2.645 79 G HA2 0.313 4.273 3.960 -0.000 0.000 0.292 79 G HA3 0.313 4.273 3.960 -0.000 0.000 0.292 79 G C -1.205 173.684 174.900 -0.019 0.000 1.415 79 G CA -0.795 44.329 45.100 0.041 0.000 0.785 79 G HN -0.183 nan 8.290 nan 0.000 0.483 80 S N -0.390 115.299 115.700 -0.018 0.000 2.599 80 S HA 0.035 4.505 4.470 -0.000 0.000 0.303 80 S C 1.435 175.997 174.600 -0.064 0.000 1.267 80 S CA 0.720 58.900 58.200 -0.034 0.000 1.055 80 S CB 0.345 63.533 63.200 -0.020 0.000 0.790 80 S HN 0.626 nan 8.310 nan 0.000 0.500 81 D N 3.929 124.288 120.400 -0.068 0.000 2.378 81 D HA -0.102 4.538 4.640 -0.000 0.000 0.227 81 D C 1.620 177.880 176.300 -0.067 0.000 1.012 81 D CA 0.436 54.385 54.000 -0.086 0.000 0.905 81 D CB -0.212 40.545 40.800 -0.071 0.000 0.895 81 D HN 0.626 nan 8.370 nan 0.000 0.532 82 R N 0.411 120.883 120.500 -0.047 0.000 2.096 82 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 82 R C 2.034 178.316 176.300 -0.030 0.000 1.127 82 R CA 0.708 56.790 56.100 -0.030 0.000 0.968 82 R CB -0.242 30.047 30.300 -0.019 0.000 0.861 82 R HN 0.218 nan 8.270 nan 0.000 0.440 83 L N 0.663 121.861 121.223 -0.043 0.000 2.083 83 L HA -0.055 4.285 4.340 -0.000 0.000 0.209 83 L C 0.624 177.475 176.870 -0.032 0.000 1.083 83 L CA 0.514 55.334 54.840 -0.033 0.000 0.752 83 L CB -0.082 41.952 42.059 -0.041 0.000 0.899 83 L HN -0.041 nan 8.230 nan 0.000 0.433 84 V N 0.362 120.229 119.914 -0.079 0.000 2.546 84 V HA 0.203 4.323 4.120 -0.000 0.000 0.284 84 V C -0.031 176.065 176.094 0.005 0.000 1.050 84 V CA -0.403 61.865 62.300 -0.053 0.000 0.981 84 V CB 1.251 32.951 31.823 -0.206 0.000 0.990 84 V HN 0.169 nan 8.190 nan 0.000 0.474 85 K N 2.077 122.510 120.400 0.055 0.000 2.435 85 K HA 0.388 4.708 4.320 -0.000 0.000 0.251 85 K C -0.549 176.094 176.600 0.072 0.000 0.954 85 K CA -0.867 55.450 56.287 0.049 0.000 0.820 85 K CB 2.295 34.819 32.500 0.039 0.000 1.292 85 K HN 0.683 nan 8.250 nan 0.000 0.436 86 E N 0.888 121.121 120.200 0.054 0.000 2.366 86 E HA 0.037 4.387 4.350 -0.000 0.000 0.266 86 E C 0.365 176.999 176.600 0.056 0.000 1.015 86 E CA 1.159 57.594 56.400 0.058 0.000 0.906 86 E CB 0.517 30.240 29.700 0.039 0.000 0.979 86 E HN 0.821 nan 8.360 nan 0.000 0.443 87 G N 3.838 112.679 108.800 0.068 0.000 2.176 87 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.232 87 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.232 87 G C 0.134 175.072 174.900 0.063 0.000 0.986 87 G CA 0.387 45.523 45.100 0.060 0.000 0.643 87 G HN 0.661 nan 8.290 nan 0.000 0.522 88 E N 0.261 120.508 120.200 0.080 0.000 2.349 88 E HA 0.605 4.955 4.350 -0.000 0.000 0.262 88 E C 0.204 176.842 176.600 0.064 0.000 1.088 88 E CA -0.959 55.489 56.400 0.080 0.000 0.899 88 E CB 1.494 31.258 29.700 0.106 0.000 1.044 88 E HN 0.522 nan 8.360 nan 0.000 0.420 89 L N 3.058 124.304 121.223 0.037 0.000 2.281 89 L HA 0.270 4.610 4.340 -0.000 0.000 0.285 89 L C -1.151 175.677 176.870 -0.069 0.000 1.074 89 L CA -0.644 54.191 54.840 -0.009 0.000 0.817 89 L CB 0.963 43.019 42.059 -0.005 0.000 1.168 89 L HN 0.436 nan 8.230 nan 0.000 0.434 90 V N 5.693 125.513 119.914 -0.156 0.000 2.394 90 V HA 0.378 4.498 4.120 -0.000 0.000 0.282 90 V C 0.061 176.020 176.094 -0.225 0.000 1.031 90 V CA -0.719 61.380 62.300 -0.334 0.000 0.881 90 V CB 1.439 32.957 31.823 -0.508 0.000 0.982 90 V HN 0.711 nan 8.190 nan 0.000 0.451 91 K N 4.046 124.323 120.400 -0.205 0.000 2.138 91 K HA 0.568 4.888 4.320 -0.000 0.000 0.263 91 K C -0.046 176.480 176.600 -0.122 0.000 0.965 91 K CA -0.765 55.447 56.287 -0.126 0.000 0.868 91 K CB 1.832 34.285 32.500 -0.078 0.000 1.083 91 K HN 0.559 nan 8.250 nan 0.000 0.443 92 R N -0.022 120.425 120.500 -0.089 0.000 2.649 92 R HA 0.117 4.457 4.340 -0.000 0.000 0.270 92 R C 0.962 177.232 176.300 -0.050 0.000 1.105 92 R CA 0.208 56.267 56.100 -0.068 0.000 1.193 92 R CB 0.724 30.990 30.300 -0.057 0.000 1.120 92 R HN 0.822 nan 8.270 nan 0.000 0.561 93 T N -3.919 110.612 114.554 -0.038 0.000 2.992 93 T HA 0.184 4.534 4.350 -0.000 0.000 0.255 93 T C 1.152 175.837 174.700 -0.025 0.000 0.938 93 T CA 0.289 62.370 62.100 -0.031 0.000 0.895 93 T CB 0.791 69.640 68.868 -0.031 0.000 1.221 93 T HN 0.787 nan 8.240 nan 0.000 0.512 94 G N 2.044 110.830 108.800 -0.022 0.000 2.143 94 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.248 94 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.248 94 G C -0.313 174.580 174.900 -0.012 0.000 0.991 94 G CA -0.081 45.009 45.100 -0.017 0.000 0.689 94 G HN 0.616 nan 8.290 nan 0.000 0.522 95 N N 0.432 119.125 118.700 -0.012 0.000 2.448 95 N HA 0.391 5.131 4.740 -0.000 0.000 0.279 95 N C 0.237 175.747 175.510 -0.001 0.000 1.025 95 N CA -0.647 52.398 53.050 -0.008 0.000 0.898 95 N CB 1.258 39.737 38.487 -0.015 0.000 1.303 95 N HN 0.051 nan 8.380 nan 0.000 0.495 96 I N 1.995 122.568 120.570 0.005 0.000 2.618 96 I HA -0.001 4.169 4.170 -0.000 0.000 0.284 96 I C 0.984 177.110 176.117 0.015 0.000 1.146 96 I CA -0.220 61.088 61.300 0.013 0.000 1.425 96 I CB -0.061 37.945 38.000 0.010 0.000 1.383 96 I HN 0.166 nan 8.210 nan 0.000 0.562 97 V N 7.036 126.968 119.914 0.029 0.000 2.717 97 V HA -0.143 3.977 4.120 -0.000 0.000 0.302 97 V C 0.477 176.586 176.094 0.025 0.000 1.097 97 V CA 0.461 62.782 62.300 0.035 0.000 1.262 97 V CB -0.990 30.885 31.823 0.086 0.000 0.846 97 V HN 0.919 nan 8.190 nan 0.000 0.485 98 D N 3.902 124.310 120.400 0.013 0.000 2.714 98 D HA 0.780 5.420 4.640 -0.000 0.000 0.278 98 D C -0.851 175.459 176.300 0.017 0.000 1.102 98 D CA -0.805 53.205 54.000 0.017 0.000 1.108 98 D CB 2.318 43.123 40.800 0.008 0.000 1.444 98 D HN 0.407 nan 8.370 nan 0.000 0.568 99 V N -0.711 119.215 119.914 0.019 0.000 3.147 99 V HA 0.489 4.609 4.120 -0.000 0.000 0.299 99 V C -2.885 173.210 176.094 0.002 0.000 1.302 99 V CA -1.811 60.498 62.300 0.016 0.000 1.015 99 V CB 2.527 34.372 31.823 0.037 0.000 1.086 99 V HN 0.510 nan 8.190 nan 0.000 0.437 100 P HA 0.432 nan 4.420 nan 0.000 0.275 100 P C -1.236 176.021 177.300 -0.072 0.000 1.228 100 P CA 0.051 63.123 63.100 -0.046 0.000 0.786 100 P CB 1.050 32.718 31.700 -0.055 0.000 0.927 101 V N -1.081 118.752 119.914 -0.135 0.000 3.102 101 V HA 1.027 5.147 4.120 -0.000 0.000 0.312 101 V C -0.070 175.675 176.094 -0.583 0.000 1.135 101 V CA -0.318 61.838 62.300 -0.240 0.000 1.022 101 V CB 1.337 33.112 31.823 -0.079 0.000 1.056 101 V HN 0.969 nan 8.190 nan 0.000 0.436 102 G N 1.949 110.169 108.800 -0.968 0.000 2.423 102 G HA2 0.103 4.063 3.960 -0.000 0.000 0.684 102 G HA3 0.103 4.063 3.960 -0.000 0.000 0.684 102 G C -2.218 172.057 174.900 -1.042 0.000 1.309 102 G CA -0.083 44.036 45.100 -1.634 0.000 0.950 102 G HN 0.759 nan 8.290 nan 0.000 0.587 103 P HA -0.106 nan 4.420 nan 0.000 0.218 103 P C 2.006 179.172 177.300 -0.223 0.000 1.146 103 P CA 2.071 64.903 63.100 -0.447 0.000 0.813 103 P CB -0.315 31.186 31.700 -0.331 0.000 0.778 104 G N 0.325 108.966 108.800 -0.264 0.000 2.475 104 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.220 104 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.220 104 G C 1.560 176.402 174.900 -0.097 0.000 1.125 104 G CA 0.453 45.462 45.100 -0.151 0.000 0.755 104 G HN 0.269 nan 8.290 nan 0.000 0.565 105 L N 0.030 121.186 121.223 -0.112 0.000 2.291 105 L HA 0.206 4.546 4.340 -0.000 0.000 0.214 105 L C 1.016 177.901 176.870 0.025 0.000 1.120 105 L CA -0.203 54.614 54.840 -0.039 0.000 0.799 105 L CB -0.162 41.875 42.059 -0.037 0.000 0.925 105 L HN 0.099 nan 8.230 nan 0.000 0.446 106 L N 0.697 121.954 121.223 0.056 0.000 2.534 106 L HA 0.099 4.439 4.340 -0.000 0.000 0.271 106 L C 1.230 178.140 176.870 0.066 0.000 1.178 106 L CA 0.633 55.540 54.840 0.112 0.000 0.907 106 L CB -0.145 42.021 42.059 0.179 0.000 1.164 106 L HN 0.339 nan 8.230 nan 0.000 0.482 107 G N 2.257 111.086 108.800 0.049 0.000 2.149 107 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.235 107 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.235 107 G C -0.035 174.870 174.900 0.008 0.000 1.018 107 G CA -0.579 44.527 45.100 0.010 0.000 0.728 107 G HN 0.451 nan 8.290 nan 0.000 0.508 108 R N -0.714 119.797 120.500 0.019 0.000 2.686 108 R HA 0.640 4.980 4.340 -0.000 0.000 0.286 108 R C -0.372 175.944 176.300 0.026 0.000 0.969 108 R CA -0.858 55.251 56.100 0.016 0.000 0.898 108 R CB 1.999 32.305 30.300 0.010 0.000 1.183 108 R HN 0.231 nan 8.270 nan 0.000 0.456 109 V N 3.416 123.345 119.914 0.024 0.000 2.333 109 V HA 0.324 4.444 4.120 -0.000 0.000 0.274 109 V C 0.512 176.627 176.094 0.035 0.000 1.028 109 V CA -0.703 61.618 62.300 0.036 0.000 0.851 109 V CB 1.094 32.936 31.823 0.032 0.000 1.000 109 V HN 0.570 nan 8.190 nan 0.000 0.456 110 V N 1.927 121.866 119.914 0.043 0.000 3.096 110 V HA 0.846 4.966 4.120 -0.000 0.000 0.319 110 V C -0.193 175.932 176.094 0.052 0.000 1.103 110 V CA -0.807 61.516 62.300 0.040 0.000 1.016 110 V CB 2.094 33.936 31.823 0.031 0.000 1.090 110 V HN 0.797 nan 8.190 nan 0.000 0.449 111 D N 1.273 121.704 120.400 0.051 0.000 2.478 111 D HA 0.562 5.202 4.640 -0.000 0.000 0.269 111 D C 1.169 177.514 176.300 0.075 0.000 1.232 111 D CA 0.092 54.132 54.000 0.066 0.000 1.059 111 D CB 1.182 42.023 40.800 0.068 0.000 1.104 111 D HN 0.815 nan 8.370 nan 0.000 0.566 112 A N -0.630 122.250 122.820 0.099 0.000 2.024 112 A HA -0.063 4.257 4.320 -0.000 0.000 0.220 112 A C 2.101 179.751 177.584 0.110 0.000 1.164 112 A CA 1.097 53.205 52.037 0.118 0.000 0.643 112 A CB -0.828 18.270 19.000 0.163 0.000 0.806 112 A HN 0.556 nan 8.150 nan 0.000 0.451 113 L N -2.287 118.987 121.223 0.084 0.000 2.616 113 L HA 0.306 4.646 4.340 -0.000 0.000 0.229 113 L C 1.380 178.263 176.870 0.022 0.000 1.110 113 L CA 0.576 55.441 54.840 0.043 0.000 0.884 113 L CB 0.407 42.459 42.059 -0.011 0.000 1.115 113 L HN 0.536 nan 8.230 nan 0.000 0.481 114 G N 0.356 109.173 108.800 0.028 0.000 2.151 114 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.156 114 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.156 114 G C -0.504 174.400 174.900 0.006 0.000 1.017 114 G CA -0.626 44.483 45.100 0.015 0.000 0.686 114 G HN 0.266 nan 8.290 nan 0.000 0.503 115 N N 1.811 120.519 118.700 0.013 0.000 2.437 115 N HA 0.449 5.189 4.740 -0.000 0.000 0.259 115 N C -2.749 172.771 175.510 0.016 0.000 0.983 115 N CA -1.533 51.523 53.050 0.009 0.000 0.937 115 N CB 2.117 40.609 38.487 0.008 0.000 1.122 115 N HN 0.152 nan 8.380 nan 0.000 0.499 116 P HA 0.079 nan 4.420 nan 0.000 0.265 116 P C 0.912 178.222 177.300 0.016 0.000 1.222 116 P CA -0.118 62.989 63.100 0.013 0.000 0.767 116 P CB 0.382 32.085 31.700 0.005 0.000 0.801 117 I N -0.368 120.216 120.570 0.023 0.000 3.578 117 I HA 0.020 4.190 4.170 -0.000 0.000 0.295 117 I C 1.522 177.650 176.117 0.019 0.000 1.280 117 I CA 0.265 61.579 61.300 0.023 0.000 1.347 117 I CB -0.596 37.422 38.000 0.032 0.000 1.051 117 I HN 0.181 nan 8.210 nan 0.000 0.460 118 D N 2.896 123.306 120.400 0.016 0.000 2.228 118 D HA -0.188 4.452 4.640 -0.000 0.000 0.203 118 D C 1.708 178.012 176.300 0.007 0.000 0.988 118 D CA 1.805 55.812 54.000 0.011 0.000 0.864 118 D CB -0.046 40.759 40.800 0.008 0.000 0.928 118 D HN 0.601 nan 8.370 nan 0.000 0.469 119 G N 1.125 109.929 108.800 0.007 0.000 2.272 119 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.280 119 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.280 119 G C 0.562 175.462 174.900 0.001 0.000 1.067 119 G CA 0.565 45.667 45.100 0.005 0.000 0.902 119 G HN 0.432 nan 8.290 nan 0.000 0.500 120 K N -0.550 119.850 120.400 0.000 0.000 2.619 120 K HA 0.486 4.806 4.320 -0.000 0.000 0.201 120 K C 1.121 177.719 176.600 -0.004 0.000 1.090 120 K CA 0.135 56.420 56.287 -0.002 0.000 1.063 120 K CB 0.981 33.479 32.500 -0.003 0.000 0.810 120 K HN 1.568 nan 8.250 nan 0.000 0.506 121 G N 2.613 111.411 108.800 -0.003 0.000 2.582 121 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.222 121 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.222 121 G C -2.825 172.070 174.900 -0.007 0.000 1.311 121 G CA -1.119 43.978 45.100 -0.005 0.000 0.915 121 G HN 0.026 nan 8.290 nan 0.000 0.528 122 P HA 0.556 nan 4.420 nan 0.000 0.274 122 P C -0.117 177.171 177.300 -0.020 0.000 1.237 122 P CA -0.293 62.798 63.100 -0.015 0.000 0.793 122 P CB 0.601 32.292 31.700 -0.016 0.000 0.977 123 I N 0.543 121.097 120.570 -0.027 0.000 2.377 123 I HA 0.259 4.429 4.170 -0.000 0.000 0.293 123 I C 0.262 176.347 176.117 -0.053 0.000 0.987 123 I CA -0.734 60.543 61.300 -0.038 0.000 1.185 123 I CB 0.842 38.819 38.000 -0.040 0.000 1.341 123 I HN 0.227 nan 8.210 nan 0.000 0.455 124 D N 4.315 124.677 120.400 -0.063 0.000 2.488 124 D HA 0.345 4.985 4.640 -0.000 0.000 0.238 124 D C 0.075 176.307 176.300 -0.114 0.000 1.138 124 D CA 0.716 54.668 54.000 -0.079 0.000 0.873 124 D CB 0.931 41.682 40.800 -0.082 0.000 1.183 124 D HN 0.738 nan 8.370 nan 0.000 0.458 125 A N 1.896 124.652 122.820 -0.108 0.000 2.350 125 A HA 0.676 4.996 4.320 -0.000 0.000 0.324 125 A C 0.092 177.591 177.584 -0.142 0.000 1.118 125 A CA -0.549 51.410 52.037 -0.131 0.000 0.783 125 A CB 1.732 20.680 19.000 -0.087 0.000 1.236 125 A HN 0.549 nan 8.150 nan 0.000 0.457 126 A N 1.299 123.998 122.820 -0.203 0.000 2.574 126 A HA 0.628 4.948 4.320 -0.000 0.000 0.283 126 A C 0.920 178.484 177.584 -0.033 0.000 1.270 126 A CA 0.701 52.646 52.037 -0.153 0.000 0.945 126 A CB -0.771 18.034 19.000 -0.324 0.000 1.127 126 A HN 2.725 nan 8.150 nan 0.000 0.522 127 G N -0.445 108.333 108.800 -0.037 0.000 2.384 127 G HA2 0.154 4.114 3.960 -0.000 0.000 0.668 127 G HA3 0.154 4.114 3.960 -0.000 0.000 0.668 127 G C -0.955 173.945 174.900 -0.002 0.000 1.280 127 G CA -0.956 44.150 45.100 0.011 0.000 0.992 127 G HN 0.536 nan 8.290 nan 0.000 0.512 128 R N -0.906 119.607 120.500 0.022 0.000 2.808 128 R HA 0.782 5.122 4.340 -0.000 0.000 0.272 128 R C -0.895 175.429 176.300 0.040 0.000 0.995 128 R CA -0.787 55.325 56.100 0.019 0.000 0.917 128 R CB 2.256 32.559 30.300 0.004 0.000 1.217 128 R HN 0.590 nan 8.270 nan 0.000 0.471 129 S N 1.073 116.799 115.700 0.042 0.000 2.536 129 S HA 0.463 4.933 4.470 -0.000 0.000 0.298 129 S C -0.630 173.993 174.600 0.039 0.000 1.083 129 S CA -0.959 57.271 58.200 0.050 0.000 0.995 129 S CB 1.547 64.790 63.200 0.072 0.000 1.058 129 S HN 0.291 nan 8.310 nan 0.000 0.488 130 R N 1.230 121.750 120.500 0.033 0.000 2.679 130 R HA 0.249 4.589 4.340 -0.000 0.000 0.268 130 R C 1.363 177.684 176.300 0.034 0.000 1.044 130 R CA -0.044 56.071 56.100 0.026 0.000 1.105 130 R CB -0.154 30.156 30.300 0.017 0.000 0.989 130 R HN 0.823 nan 8.270 nan 0.000 0.447 131 A N 3.458 126.293 122.820 0.025 0.000 1.877 131 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 131 A C 0.560 178.148 177.584 0.006 0.000 1.186 131 A CA 1.159 53.214 52.037 0.029 0.000 0.620 131 A CB -0.058 18.941 19.000 -0.001 0.000 0.822 131 A HN 0.566 nan 8.150 nan 0.000 0.443 132 Q N 0.638 120.407 119.800 -0.051 0.000 2.361 132 Q HA 0.425 4.765 4.340 -0.000 0.000 0.250 132 Q C -1.248 174.751 176.000 -0.002 0.000 1.023 132 Q CA 0.012 55.773 55.803 -0.070 0.000 0.915 132 Q CB 1.121 29.789 28.738 -0.117 0.000 1.238 132 Q HN 0.212 nan 8.270 nan 0.000 0.451 133 V N 3.293 123.227 119.914 0.035 0.000 2.495 133 V HA 0.256 4.376 4.120 -0.000 0.000 0.298 133 V C 0.321 176.440 176.094 0.042 0.000 1.031 133 V CA -1.065 61.260 62.300 0.041 0.000 0.871 133 V CB 1.920 33.776 31.823 0.054 0.000 0.988 133 V HN 0.509 nan 8.190 nan 0.000 0.432 134 K N 3.102 123.523 120.400 0.036 0.000 2.451 134 K HA 0.357 4.677 4.320 -0.000 0.000 0.280 134 K C 0.436 177.060 176.600 0.040 0.000 1.020 134 K CA 0.106 56.417 56.287 0.041 0.000 1.008 134 K CB 1.092 33.615 32.500 0.038 0.000 0.917 134 K HN 0.866 nan 8.250 nan 0.000 0.478 135 A N 6.090 128.936 122.820 0.044 0.000 2.498 135 A HA 0.190 4.510 4.320 -0.000 0.000 0.239 135 A C -1.722 175.882 177.584 0.034 0.000 1.068 135 A CA -1.040 51.020 52.037 0.039 0.000 0.766 135 A CB -0.544 18.478 19.000 0.038 0.000 1.003 135 A HN 0.473 nan 8.150 nan 0.000 0.497 136 P HA 0.106 nan 4.420 nan 0.000 0.266 136 P C 0.757 178.072 177.300 0.025 0.000 1.193 136 P CA 0.494 63.608 63.100 0.023 0.000 0.770 136 P CB 0.313 32.025 31.700 0.020 0.000 0.836 137 G N 1.781 110.594 108.800 0.022 0.000 2.447 137 G HA2 0.078 4.038 3.960 -0.000 0.000 0.269 137 G HA3 0.078 4.038 3.960 -0.000 0.000 0.269 137 G C 1.216 176.129 174.900 0.022 0.000 1.455 137 G CA -0.535 44.579 45.100 0.023 0.000 1.061 137 G HN 0.378 nan 8.290 nan 0.000 0.545 138 I N -0.602 119.980 120.570 0.020 0.000 2.133 138 I HA -0.064 4.106 4.170 -0.000 0.000 0.238 138 I C 2.886 179.012 176.117 0.015 0.000 1.074 138 I CA 1.098 62.409 61.300 0.018 0.000 1.342 138 I CB -1.101 36.909 38.000 0.017 0.000 1.053 138 I HN 0.266 nan 8.210 nan 0.000 0.404 139 L N 0.469 121.699 121.223 0.012 0.000 2.156 139 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 139 L C -0.393 176.482 176.870 0.008 0.000 1.095 139 L CA 1.117 55.962 54.840 0.009 0.000 0.770 139 L CB -1.597 40.465 42.059 0.006 0.000 0.914 139 L HN 0.144 nan 8.230 nan 0.000 0.439 140 P HA -0.151 nan 4.420 nan 0.000 0.223 140 P C -0.029 177.278 177.300 0.013 0.000 1.140 140 P CA 1.277 64.382 63.100 0.008 0.000 0.783 140 P CB 0.006 31.711 31.700 0.009 0.000 0.759 141 R N -0.890 119.620 120.500 0.016 0.000 2.758 141 R HA 0.581 4.921 4.340 -0.000 0.000 0.265 141 R C 0.476 176.791 176.300 0.023 0.000 1.016 141 R CA -0.835 55.279 56.100 0.024 0.000 1.040 141 R CB 1.607 31.923 30.300 0.026 0.000 1.152 141 R HN -0.102 nan 8.270 nan 0.000 0.503 142 R N -0.016 120.505 120.500 0.035 0.000 2.888 142 R HA 0.337 4.677 4.340 -0.000 0.000 0.266 142 R C -0.851 175.478 176.300 0.048 0.000 1.020 142 R CA -0.605 55.515 56.100 0.033 0.000 0.963 142 R CB 2.089 32.413 30.300 0.040 0.000 1.197 142 R HN 0.677 nan 8.270 nan 0.000 0.481 143 S N 0.829 116.550 115.700 0.034 0.000 2.552 143 S HA 0.007 4.477 4.470 -0.000 0.000 0.289 143 S C 0.044 174.718 174.600 0.122 0.000 1.304 143 S CA -0.358 57.872 58.200 0.051 0.000 1.063 143 S CB 0.658 63.870 63.200 0.020 0.000 0.848 143 S HN 0.330 nan 8.310 nan 0.000 0.499 144 V N 5.666 125.635 119.914 0.092 0.000 2.450 144 V HA 0.067 4.187 4.120 -0.000 0.000 0.281 144 V C 1.327 177.491 176.094 0.116 0.000 1.019 144 V CA 0.455 62.804 62.300 0.082 0.000 1.062 144 V CB -0.304 31.533 31.823 0.024 0.000 0.979 144 V HN 1.066 nan 8.190 nan 0.000 0.477 145 H N 2.467 121.514 119.070 -0.038 0.000 3.540 145 H HA 0.360 4.916 4.556 -0.000 0.000 0.259 145 H C 0.090 175.377 175.328 -0.068 0.000 1.197 145 H CA -0.454 55.569 56.048 -0.042 0.000 1.136 145 H CB 0.662 30.406 29.762 -0.031 0.000 1.605 145 H HN 0.579 nan 8.280 nan 0.000 0.657 146 E N 3.284 123.160 120.200 -0.540 0.000 2.151 146 E HA 0.345 4.695 4.350 -0.000 0.000 0.275 146 E C -2.759 173.646 176.600 -0.325 0.000 0.936 146 E CA -2.199 53.895 56.400 -0.510 0.000 0.777 146 E CB 2.123 31.448 29.700 -0.627 0.000 1.108 146 E HN 0.184 nan 8.360 nan 0.000 0.401 147 P HA 0.003 nan 4.420 nan 0.000 0.271 147 P C -0.727 176.401 177.300 -0.287 0.000 1.226 147 P CA -0.198 62.764 63.100 -0.229 0.000 0.765 147 P CB 0.596 32.179 31.700 -0.196 0.000 0.835 148 V N 5.420 125.204 119.914 -0.217 0.000 2.339 148 V HA 0.085 4.205 4.120 -0.000 0.000 0.261 148 V C 0.694 176.695 176.094 -0.155 0.000 1.058 148 V CA -0.003 62.170 62.300 -0.211 0.000 0.897 148 V CB -0.241 31.497 31.823 -0.142 0.000 1.052 148 V HN 0.489 nan 8.190 nan 0.000 0.480 149 Q N 2.551 122.233 119.800 -0.196 0.000 2.324 149 Q HA 0.105 4.445 4.340 -0.000 0.000 0.257 149 Q C 1.539 177.565 176.000 0.044 0.000 1.080 149 Q CA 0.192 55.967 55.803 -0.046 0.000 0.907 149 Q CB 0.957 29.716 28.738 0.034 0.000 1.274 149 Q HN 0.955 nan 8.270 nan 0.000 0.434 150 T N -0.770 113.803 114.554 0.031 0.000 2.904 150 T HA 0.014 4.364 4.350 -0.000 0.000 0.267 150 T C 1.462 176.199 174.700 0.062 0.000 1.059 150 T CA 0.867 62.990 62.100 0.038 0.000 1.137 150 T CB -0.025 68.854 68.868 0.018 0.000 0.879 150 T HN 0.829 nan 8.240 nan 0.000 0.467 151 G N 1.129 109.973 108.800 0.073 0.000 2.241 151 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.244 151 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.244 151 G C -0.017 174.907 174.900 0.041 0.000 0.998 151 G CA 0.107 45.247 45.100 0.066 0.000 0.621 151 G HN 0.664 nan 8.290 nan 0.000 0.519 152 L N 1.003 122.246 121.223 0.032 0.000 2.313 152 L HA 0.392 4.732 4.340 -0.000 0.000 0.282 152 L C 1.786 178.672 176.870 0.027 0.000 1.092 152 L CA -0.528 54.326 54.840 0.023 0.000 0.831 152 L CB 1.071 43.139 42.059 0.014 0.000 1.159 152 L HN 0.076 nan 8.230 nan 0.000 0.442 153 K N 2.546 122.963 120.400 0.028 0.000 2.009 153 K HA -0.219 4.101 4.320 -0.000 0.000 0.210 153 K C 2.024 178.640 176.600 0.028 0.000 1.049 153 K CA 1.796 58.101 56.287 0.031 0.000 0.929 153 K CB -0.145 32.373 32.500 0.031 0.000 0.714 153 K HN 0.829 nan 8.250 nan 0.000 0.440 154 A N 0.852 123.687 122.820 0.026 0.000 1.902 154 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 154 A C 2.371 179.973 177.584 0.031 0.000 1.181 154 A CA 1.600 53.655 52.037 0.029 0.000 0.623 154 A CB -0.663 18.356 19.000 0.031 0.000 0.818 154 A HN 0.088 nan 8.150 nan 0.000 0.443 155 V N 0.421 120.352 119.914 0.027 0.000 2.244 155 V HA -0.216 3.904 4.120 -0.000 0.000 0.244 155 V C 2.212 178.319 176.094 0.022 0.000 1.042 155 V CA 2.216 64.531 62.300 0.025 0.000 1.006 155 V CB -0.862 30.972 31.823 0.019 0.000 0.641 155 V HN 0.465 nan 8.190 nan 0.000 0.446 156 D N 0.246 120.659 120.400 0.022 0.000 2.178 156 D HA -0.111 4.529 4.640 -0.000 0.000 0.201 156 D C 2.106 178.419 176.300 0.021 0.000 0.980 156 D CA 1.651 55.662 54.000 0.019 0.000 0.842 156 D CB -0.132 40.683 40.800 0.026 0.000 0.948 156 D HN 0.451 nan 8.370 nan 0.000 0.472 157 A N -0.368 122.468 122.820 0.027 0.000 1.975 157 A HA 0.049 4.368 4.320 -0.000 0.000 0.215 157 A C 2.197 179.801 177.584 0.032 0.000 1.170 157 A CA 0.653 52.708 52.037 0.031 0.000 0.656 157 A CB -0.108 18.912 19.000 0.032 0.000 0.821 157 A HN 0.204 nan 8.150 nan 0.000 0.449 158 L N -1.537 119.705 121.223 0.032 0.000 2.577 158 L HA 0.158 4.498 4.340 -0.000 0.000 0.225 158 L C 0.054 176.943 176.870 0.033 0.000 1.053 158 L CA 0.219 55.081 54.840 0.036 0.000 0.866 158 L CB 0.791 42.875 42.059 0.041 0.000 1.132 158 L HN 0.069 nan 8.230 nan 0.000 0.486 159 V N 0.085 120.016 119.914 0.028 0.000 2.666 159 V HA 0.276 4.396 4.120 -0.000 0.000 0.306 159 V C -2.520 173.583 176.094 0.015 0.000 1.156 159 V CA -1.271 61.044 62.300 0.025 0.000 1.274 159 V CB -0.130 31.712 31.823 0.032 0.000 1.536 159 V HN 0.005 nan 8.190 nan 0.000 0.640 160 P HA 0.243 nan 4.420 nan 0.000 0.268 160 P C -0.259 177.034 177.300 -0.013 0.000 1.204 160 P CA 0.430 63.528 63.100 -0.003 0.000 0.768 160 P CB 0.763 32.461 31.700 -0.004 0.000 0.842 161 I N 2.131 122.685 120.570 -0.027 0.000 2.359 161 I HA 0.544 4.714 4.170 -0.000 0.000 0.294 161 I C 0.992 177.069 176.117 -0.066 0.000 0.987 161 I CA -0.266 61.011 61.300 -0.037 0.000 1.225 161 I CB 1.732 39.712 38.000 -0.033 0.000 1.366 161 I HN 0.328 nan 8.210 nan 0.000 0.466 162 G N 4.656 113.418 108.800 -0.064 0.000 2.452 162 G HA2 0.478 4.438 3.960 -0.000 0.000 0.324 162 G HA3 0.478 4.438 3.960 -0.000 0.000 0.324 162 G C -0.555 174.286 174.900 -0.099 0.000 1.214 162 G CA -0.876 44.166 45.100 -0.096 0.000 0.947 162 G HN 0.529 nan 8.290 nan 0.000 0.478 163 R N 0.832 121.238 120.500 -0.157 0.000 2.507 163 R HA 0.307 4.647 4.340 -0.000 0.000 0.341 163 R C 1.243 177.513 176.300 -0.051 0.000 0.960 163 R CA 1.190 57.206 56.100 -0.139 0.000 1.032 163 R CB 0.204 30.339 30.300 -0.274 0.000 0.933 163 R HN 1.158 nan 8.270 nan 0.000 0.418 164 G N 1.832 110.625 108.800 -0.012 0.000 2.211 164 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.201 164 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.201 164 G C 0.214 175.122 174.900 0.013 0.000 0.997 164 G CA -0.251 44.860 45.100 0.019 0.000 0.652 164 G HN 0.572 nan 8.290 nan 0.000 0.500 165 Q N 0.331 120.130 119.800 -0.002 0.000 2.443 165 Q HA 0.599 4.939 4.340 -0.000 0.000 0.232 165 Q C 0.114 176.117 176.000 0.005 0.000 1.026 165 Q CA -0.202 55.602 55.803 0.001 0.000 0.924 165 Q CB 0.395 29.127 28.738 -0.009 0.000 1.256 165 Q HN 0.444 nan 8.270 nan 0.000 0.519 166 R N 1.730 122.235 120.500 0.008 0.000 2.437 166 R HA 0.312 4.652 4.340 -0.000 0.000 0.310 166 R C -1.329 174.974 176.300 0.005 0.000 0.955 166 R CA -0.541 55.565 56.100 0.009 0.000 0.851 166 R CB 1.618 31.922 30.300 0.006 0.000 1.161 166 R HN 0.452 nan 8.270 nan 0.000 0.446 167 E N 2.920 123.122 120.200 0.003 0.000 2.244 167 E HA 0.216 4.566 4.350 -0.000 0.000 0.260 167 E C -1.639 174.961 176.600 -0.001 0.000 0.884 167 E CA -0.873 55.529 56.400 0.003 0.000 0.777 167 E CB 1.154 30.855 29.700 0.001 0.000 1.197 167 E HN 0.338 nan 8.360 nan 0.000 0.416 168 L N 5.653 126.875 121.223 -0.002 0.000 2.367 168 L HA 0.452 4.792 4.340 -0.000 0.000 0.275 168 L C -0.902 175.957 176.870 -0.018 0.000 1.129 168 L CA 0.184 55.014 54.840 -0.017 0.000 0.839 168 L CB 0.415 42.462 42.059 -0.020 0.000 1.133 168 L HN 0.648 nan 8.230 nan 0.000 0.453 169 I N 7.000 127.549 120.570 -0.035 0.000 2.315 169 I HA 0.398 4.568 4.170 -0.000 0.000 0.291 169 I C -0.266 175.788 176.117 -0.104 0.000 1.006 169 I CA -0.164 61.103 61.300 -0.054 0.000 1.265 169 I CB 1.146 39.123 38.000 -0.038 0.000 1.387 169 I HN 0.577 nan 8.210 nan 0.000 0.475 170 I N 5.304 125.765 120.570 -0.181 0.000 2.656 170 I HA 0.846 5.016 4.170 -0.000 0.000 0.292 170 I C -0.376 175.375 176.117 -0.611 0.000 1.144 170 I CA 0.049 61.168 61.300 -0.301 0.000 1.038 170 I CB 2.008 39.874 38.000 -0.223 0.000 1.244 170 I HN 0.727 nan 8.210 nan 0.000 0.420 171 G N 4.789 113.286 108.800 -0.504 0.000 2.324 171 G HA2 0.162 4.122 3.960 -0.000 0.000 0.293 171 G HA3 0.162 4.122 3.960 -0.000 0.000 0.293 171 G C -2.015 172.739 174.900 -0.244 0.000 1.297 171 G CA -0.809 43.972 45.100 -0.533 0.000 0.853 171 G HN 0.514 nan 8.290 nan 0.000 0.535 172 D N 0.363 120.665 120.400 -0.163 0.000 2.371 172 D HA 0.449 5.089 4.640 -0.000 0.000 0.242 172 D C 1.287 177.538 176.300 -0.081 0.000 1.218 172 D CA -0.141 53.812 54.000 -0.079 0.000 0.945 172 D CB 0.409 41.190 40.800 -0.031 0.000 1.137 172 D HN 0.694 nan 8.370 nan 0.000 0.464 173 R N 0.126 120.597 120.500 -0.048 0.000 2.758 173 R HA -0.010 4.330 4.340 -0.000 0.000 0.263 173 R C -0.166 176.085 176.300 -0.081 0.000 1.010 173 R CA -0.104 55.967 56.100 -0.048 0.000 1.114 173 R CB -0.349 29.939 30.300 -0.020 0.000 0.985 173 R HN 0.371 nan 8.270 nan 0.000 0.439 174 Q N -0.838 118.904 119.800 -0.097 0.000 2.435 174 Q HA -0.227 4.113 4.340 -0.000 0.000 0.286 174 Q C 0.193 176.001 176.000 -0.320 0.000 1.229 174 Q CA 1.352 57.059 55.803 -0.160 0.000 0.884 174 Q CB -1.651 27.021 28.738 -0.111 0.000 1.245 174 Q HN 0.981 nan 8.270 nan 0.000 0.488 175 T N -5.833 108.553 114.554 -0.280 0.000 3.001 175 T HA 0.450 4.800 4.350 -0.000 0.000 0.251 175 T C 1.262 175.814 174.700 -0.248 0.000 1.040 175 T CA 0.480 62.376 62.100 -0.339 0.000 0.985 175 T CB 1.167 69.923 68.868 -0.187 0.000 1.011 175 T HN 0.892 nan 8.240 nan 0.000 0.509 176 G N 1.713 110.414 108.800 -0.165 0.000 2.164 176 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.154 176 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.154 176 G C 0.728 175.608 174.900 -0.034 0.000 1.014 176 G CA 0.116 45.185 45.100 -0.050 0.000 0.683 176 G HN 0.480 nan 8.290 nan 0.000 0.500 177 K N -0.092 120.274 120.400 -0.056 0.000 2.032 177 K HA -0.065 4.255 4.320 -0.000 0.000 0.209 177 K C 2.440 179.035 176.600 -0.009 0.000 1.048 177 K CA 1.863 58.124 56.287 -0.043 0.000 0.927 177 K CB -0.325 32.137 32.500 -0.064 0.000 0.712 177 K HN 0.294 nan 8.250 nan 0.000 0.441 178 T N 1.195 115.753 114.554 0.007 0.000 2.812 178 T HA -0.073 4.277 4.350 -0.000 0.000 0.264 178 T C 2.068 176.774 174.700 0.010 0.000 1.042 178 T CA 1.126 63.253 62.100 0.046 0.000 1.140 178 T CB -0.327 68.584 68.868 0.072 0.000 0.870 178 T HN 0.343 nan 8.240 nan 0.000 0.445 179 A N 1.153 123.957 122.820 -0.026 0.000 1.954 179 A HA -0.180 4.140 4.320 -0.000 0.000 0.222 179 A C 2.533 180.078 177.584 -0.065 0.000 1.199 179 A CA 1.997 53.987 52.037 -0.079 0.000 0.657 179 A CB -1.250 17.704 19.000 -0.075 0.000 0.823 179 A HN 0.389 nan 8.150 nan 0.000 0.463 180 V N -0.818 119.080 119.914 -0.026 0.000 2.453 180 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 180 V C 2.986 179.081 176.094 0.002 0.000 1.048 180 V CA 1.793 64.086 62.300 -0.012 0.000 1.049 180 V CB -1.101 30.720 31.823 -0.003 0.000 0.672 180 V HN 0.669 nan 8.190 nan 0.000 0.457 181 A N -0.037 122.797 122.820 0.023 0.000 1.855 181 A HA -0.169 4.151 4.320 -0.000 0.000 0.215 181 A C 2.144 179.748 177.584 0.034 0.000 1.191 181 A CA 1.961 54.032 52.037 0.057 0.000 0.613 181 A CB -0.598 18.486 19.000 0.141 0.000 0.829 181 A HN 0.444 nan 8.150 nan 0.000 0.442 182 L N -0.176 121.045 121.223 -0.004 0.000 2.131 182 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 182 L C 1.436 178.289 176.870 -0.029 0.000 1.092 182 L CA 2.416 57.229 54.840 -0.045 0.000 0.759 182 L CB -0.442 41.582 42.059 -0.057 0.000 0.903 182 L HN 0.334 nan 8.230 nan 0.000 0.435 183 D N -1.561 118.817 120.400 -0.036 0.000 2.162 183 D HA -0.103 4.537 4.640 -0.000 0.000 0.203 183 D C 2.090 178.398 176.300 0.012 0.000 0.967 183 D CA 1.438 55.421 54.000 -0.028 0.000 0.840 183 D CB -0.090 40.678 40.800 -0.054 0.000 0.972 183 D HN 0.278 nan 8.370 nan 0.000 0.482 184 T N 0.690 115.255 114.554 0.018 0.000 2.684 184 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 184 T C 2.095 176.829 174.700 0.057 0.000 1.036 184 T CA 0.725 62.845 62.100 0.035 0.000 1.148 184 T CB -0.274 68.607 68.868 0.021 0.000 0.863 184 T HN 0.145 nan 8.240 nan 0.000 0.436 185 I N 0.712 121.319 120.570 0.063 0.000 2.163 185 I HA -0.153 4.017 4.170 -0.000 0.000 0.243 185 I C 2.344 178.569 176.117 0.181 0.000 1.085 185 I CA 1.256 62.626 61.300 0.117 0.000 1.347 185 I CB -0.402 37.652 38.000 0.089 0.000 1.044 185 I HN 0.207 nan 8.210 nan 0.000 0.408 186 L N 0.406 121.688 121.223 0.100 0.000 2.131 186 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 186 L C 2.164 179.109 176.870 0.124 0.000 1.092 186 L CA 1.365 56.262 54.840 0.095 0.000 0.759 186 L CB -0.721 41.318 42.059 -0.034 0.000 0.903 186 L HN 0.360 nan 8.230 nan 0.000 0.435 187 N N -0.214 118.546 118.700 0.100 0.000 2.381 187 N HA -0.173 4.567 4.740 -0.000 0.000 0.182 187 N C 1.597 177.181 175.510 0.124 0.000 1.025 187 N CA 0.686 53.795 53.050 0.098 0.000 0.888 187 N CB 0.129 38.693 38.487 0.127 0.000 0.965 187 N HN 0.189 nan 8.380 nan 0.000 0.438 188 Q N 0.174 120.052 119.800 0.129 0.000 2.557 188 Q HA -0.026 4.314 4.340 -0.000 0.000 0.217 188 Q C 1.122 177.042 176.000 -0.134 0.000 0.978 188 Q CA 0.375 56.218 55.803 0.067 0.000 0.950 188 Q CB -0.125 28.456 28.738 -0.262 0.000 0.991 188 Q HN 0.438 nan 8.270 nan 0.000 0.533 189 K N 0.719 121.098 120.400 -0.036 0.000 2.442 189 K HA -0.036 4.284 4.320 -0.000 0.000 0.198 189 K C 1.455 177.939 176.600 -0.195 0.000 1.042 189 K CA 0.374 56.663 56.287 0.004 0.000 0.958 189 K CB 0.266 32.812 32.500 0.076 0.000 0.766 189 K HN 0.190 nan 8.250 nan 0.000 0.474 190 R N -1.155 119.060 120.500 -0.476 0.000 2.161 190 R HA -0.026 4.314 4.340 -0.000 0.000 0.213 190 R C 1.372 177.147 176.300 -0.874 0.000 1.055 190 R CA 0.717 56.287 56.100 -0.884 0.000 0.996 190 R CB 0.181 29.485 30.300 -1.659 0.000 0.901 190 R HN 0.309 nan 8.270 nan 0.000 0.456 191 W N -0.240 120.977 121.300 -0.138 0.000 2.904 191 W HA 0.232 4.892 4.660 -0.000 0.000 0.265 191 W C 0.772 177.185 176.519 -0.177 0.000 1.138 191 W CA -0.509 56.748 57.345 -0.147 0.000 1.455 191 W CB -0.171 29.188 29.460 -0.168 0.000 0.924 191 W HN 0.011 nan 8.180 nan 0.000 0.619 192 N N 1.256 119.924 118.700 -0.054 0.000 2.571 192 N HA -0.079 4.661 4.740 -0.000 0.000 0.189 192 N C 0.867 176.372 175.510 -0.008 0.000 1.154 192 N CA 0.755 53.713 53.050 -0.153 0.000 0.907 192 N CB -0.374 37.821 38.487 -0.486 0.000 0.977 192 N HN 0.122 nan 8.380 nan 0.000 0.449 193 N N -0.581 118.122 118.700 0.005 0.000 2.254 193 N HA 0.092 4.832 4.740 -0.000 0.000 0.190 193 N C 0.896 176.420 175.510 0.023 0.000 1.107 193 N CA 0.114 53.181 53.050 0.028 0.000 0.869 193 N CB 0.631 39.125 38.487 0.012 0.000 0.983 193 N HN 0.118 nan 8.380 nan 0.000 0.487 194 G N -0.508 108.305 108.800 0.022 0.000 2.535 194 G HA2 0.212 4.172 3.960 -0.000 0.000 0.303 194 G HA3 0.212 4.172 3.960 -0.000 0.000 0.303 194 G C 0.878 175.808 174.900 0.050 0.000 1.237 194 G CA -0.211 44.908 45.100 0.031 0.000 0.986 194 G HN 0.064 nan 8.290 nan 0.000 0.494 195 S N -1.100 114.629 115.700 0.048 0.000 2.356 195 S HA -0.122 4.348 4.470 -0.000 0.000 0.223 195 S C 0.995 175.634 174.600 0.065 0.000 1.032 195 S CA 1.163 59.395 58.200 0.054 0.000 1.005 195 S CB -0.364 62.862 63.200 0.043 0.000 0.867 195 S HN 0.525 nan 8.310 nan 0.000 0.449 196 D N 1.659 122.099 120.400 0.067 0.000 2.349 196 D HA 0.058 4.698 4.640 -0.000 0.000 0.266 196 D C 0.833 177.177 176.300 0.074 0.000 1.293 196 D CA 0.130 54.171 54.000 0.069 0.000 0.926 196 D CB 0.715 41.556 40.800 0.067 0.000 1.090 196 D HN 0.322 nan 8.370 nan 0.000 0.502 197 E N 1.303 121.555 120.200 0.087 0.000 2.358 197 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 197 E C 1.651 178.323 176.600 0.120 0.000 1.010 197 E CA 0.318 56.788 56.400 0.117 0.000 0.856 197 E CB 0.187 29.976 29.700 0.148 0.000 0.795 197 E HN 0.503 nan 8.360 nan 0.000 0.504 198 S N -0.055 115.706 115.700 0.103 0.000 2.528 198 S HA 0.080 4.550 4.470 -0.000 0.000 0.219 198 S C 1.566 176.240 174.600 0.122 0.000 0.985 198 S CA 0.186 58.479 58.200 0.156 0.000 0.914 198 S CB 0.138 63.412 63.200 0.124 0.000 0.776 198 S HN 0.078 nan 8.310 nan 0.000 0.526 199 K N 0.747 121.149 120.400 0.004 0.000 2.354 199 K HA 0.227 4.547 4.320 -0.000 0.000 0.194 199 K C 0.038 176.515 176.600 -0.204 0.000 1.038 199 K CA 0.032 56.219 56.287 -0.167 0.000 1.052 199 K CB 0.268 32.679 32.500 -0.148 0.000 0.861 199 K HN 0.302 nan 8.250 nan 0.000 0.535 200 K N 1.710 122.052 120.400 -0.097 0.000 2.350 200 K HA 0.107 4.427 4.320 -0.000 0.000 0.279 200 K C -0.626 175.783 176.600 -0.317 0.000 1.027 200 K CA -0.199 55.945 56.287 -0.238 0.000 0.969 200 K CB 0.646 32.946 32.500 -0.334 0.000 0.954 200 K HN -0.111 nan 8.250 nan 0.000 0.474 201 L N 4.756 125.724 121.223 -0.425 0.000 2.345 201 L HA 0.275 4.615 4.340 -0.000 0.000 0.274 201 L C -1.483 175.128 176.870 -0.432 0.000 0.999 201 L CA -0.452 54.190 54.840 -0.330 0.000 0.849 201 L CB 0.476 42.382 42.059 -0.255 0.000 1.220 201 L HN 0.406 nan 8.230 nan 0.000 0.422 202 Y N 3.582 123.723 120.300 -0.264 0.000 2.402 202 Y HA 0.300 4.850 4.550 -0.000 0.000 0.333 202 Y C 0.524 176.301 175.900 -0.204 0.000 1.076 202 Y CA -0.097 57.796 58.100 -0.346 0.000 1.299 202 Y CB 0.583 38.465 38.460 -0.964 0.000 1.197 202 Y HN 0.489 nan 8.280 nan 0.000 0.517 203 C N 4.261 123.624 119.300 0.104 0.000 2.307 203 C HA 0.586 5.046 4.460 -0.000 0.000 0.340 203 C C 0.022 175.075 174.990 0.104 0.000 1.275 203 C CA -1.166 57.913 59.018 0.102 0.000 1.811 203 C CB -0.293 27.549 27.740 0.168 0.000 2.372 203 C HN 0.553 nan 8.230 nan 0.000 0.531 204 V N 4.139 124.091 119.914 0.063 0.000 2.357 204 V HA 0.283 4.403 4.120 -0.000 0.000 0.284 204 V C -0.799 175.319 176.094 0.041 0.000 1.018 204 V CA -0.521 61.816 62.300 0.061 0.000 0.841 204 V CB 0.956 32.800 31.823 0.034 0.000 0.991 204 V HN 0.800 nan 8.190 nan 0.000 0.437 205 Y N 5.142 125.417 120.300 -0.042 0.000 2.388 205 Y HA 0.609 5.159 4.550 -0.000 0.000 0.328 205 Y C -0.242 175.635 175.900 -0.039 0.000 0.963 205 Y CA -0.711 57.355 58.100 -0.057 0.000 1.240 205 Y CB 1.504 39.950 38.460 -0.024 0.000 1.118 205 Y HN 0.446 nan 8.280 nan 0.000 0.484 206 V N 6.080 125.728 119.914 -0.443 0.000 2.432 206 V HA 0.533 4.653 4.120 -0.000 0.000 0.271 206 V C 0.318 176.142 176.094 -0.450 0.000 1.046 206 V CA -0.466 61.660 62.300 -0.290 0.000 0.945 206 V CB 0.563 32.307 31.823 -0.132 0.000 0.992 206 V HN 0.902 nan 8.190 nan 0.000 0.471 207 A N 5.559 128.276 122.820 -0.172 0.000 2.260 207 A HA 0.691 5.011 4.320 -0.000 0.000 0.312 207 A C -0.413 177.165 177.584 -0.009 0.000 1.321 207 A CA -0.379 51.622 52.037 -0.059 0.000 0.928 207 A CB 0.543 19.626 19.000 0.138 0.000 1.158 207 A HN 0.688 nan 8.150 nan 0.000 0.542 208 V N 2.608 122.513 119.914 -0.015 0.000 2.357 208 V HA 0.591 4.711 4.120 -0.000 0.000 0.284 208 V C 1.228 177.348 176.094 0.043 0.000 1.018 208 V CA 0.505 62.821 62.300 0.026 0.000 0.841 208 V CB 0.764 32.603 31.823 0.026 0.000 0.991 208 V HN 1.743 nan 8.190 nan 0.000 0.437 209 G N 3.781 112.614 108.800 0.056 0.000 2.180 209 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.263 209 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.263 209 G C 0.286 175.218 174.900 0.053 0.000 0.989 209 G CA 0.651 45.785 45.100 0.057 0.000 0.692 209 G HN 0.665 nan 8.290 nan 0.000 0.526 210 Q N -0.246 119.589 119.800 0.058 0.000 2.414 210 Q HA 0.435 4.775 4.340 -0.000 0.000 0.206 210 Q C 0.747 176.781 176.000 0.057 0.000 1.058 210 Q CA 0.215 56.056 55.803 0.062 0.000 1.025 210 Q CB 0.419 29.209 28.738 0.086 0.000 1.196 210 Q HN 0.648 nan 8.270 nan 0.000 0.586 211 K N -0.300 120.132 120.400 0.054 0.000 2.159 211 K HA 0.337 4.657 4.320 -0.000 0.000 0.266 211 K C 0.323 176.953 176.600 0.049 0.000 0.975 211 K CA -0.631 55.684 56.287 0.046 0.000 0.865 211 K CB 1.515 34.038 32.500 0.038 0.000 1.087 211 K HN 0.377 nan 8.250 nan 0.000 0.446 212 R N 0.826 121.353 120.500 0.045 0.000 2.119 212 R HA -0.202 4.138 4.340 -0.000 0.000 0.246 212 R C 2.181 178.504 176.300 0.039 0.000 1.146 212 R CA 2.077 58.203 56.100 0.044 0.000 0.962 212 R CB -0.455 29.868 30.300 0.038 0.000 0.863 212 R HN 0.827 nan 8.270 nan 0.000 0.442 213 S N -0.607 115.113 115.700 0.033 0.000 2.400 213 S HA -0.135 4.335 4.470 -0.000 0.000 0.232 213 S C 1.633 176.251 174.600 0.031 0.000 1.025 213 S CA 1.755 59.972 58.200 0.028 0.000 0.993 213 S CB -0.100 63.114 63.200 0.025 0.000 0.808 213 S HN 0.384 nan 8.310 nan 0.000 0.478 214 T N 1.055 115.632 114.554 0.040 0.000 2.851 214 T HA 0.024 4.374 4.350 -0.000 0.000 0.262 214 T C 1.836 176.564 174.700 0.046 0.000 1.043 214 T CA 1.198 63.325 62.100 0.045 0.000 1.140 214 T CB -0.315 68.588 68.868 0.057 0.000 0.872 214 T HN 0.246 nan 8.240 nan 0.000 0.446 215 V N 1.959 121.910 119.914 0.060 0.000 2.295 215 V HA -0.166 3.954 4.120 -0.000 0.000 0.246 215 V C 2.923 179.034 176.094 0.029 0.000 1.049 215 V CA 1.772 64.112 62.300 0.066 0.000 1.024 215 V CB -1.182 30.693 31.823 0.087 0.000 0.648 215 V HN 0.519 nan 8.190 nan 0.000 0.447 216 A N -0.671 122.164 122.820 0.026 0.000 2.019 216 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 216 A C 2.149 179.733 177.584 0.000 0.000 1.164 216 A CA 2.158 54.202 52.037 0.012 0.000 0.644 216 A CB -0.461 18.547 19.000 0.014 0.000 0.805 216 A HN 0.561 nan 8.150 nan 0.000 0.449 217 Q N -0.330 119.473 119.800 0.004 0.000 2.049 217 Q HA -0.025 4.315 4.340 -0.000 0.000 0.198 217 Q C 1.925 177.913 176.000 -0.019 0.000 0.971 217 Q CA 1.665 57.467 55.803 -0.002 0.000 0.833 217 Q CB -0.467 28.279 28.738 0.014 0.000 0.896 217 Q HN 0.613 nan 8.270 nan 0.000 0.434 218 L N -0.569 120.634 121.223 -0.032 0.000 2.046 218 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 218 L C 1.965 178.779 176.870 -0.094 0.000 1.077 218 L CA 1.211 56.000 54.840 -0.086 0.000 0.747 218 L CB -0.264 41.690 42.059 -0.175 0.000 0.896 218 L HN 0.152 nan 8.230 nan 0.000 0.432 219 V N -0.219 119.654 119.914 -0.067 0.000 2.295 219 V HA -0.354 3.766 4.120 -0.000 0.000 0.246 219 V C 2.483 178.549 176.094 -0.047 0.000 1.049 219 V CA 2.198 64.465 62.300 -0.055 0.000 1.024 219 V CB -0.795 31.012 31.823 -0.027 0.000 0.648 219 V HN 0.615 nan 8.190 nan 0.000 0.447 220 Q N -0.261 119.517 119.800 -0.036 0.000 2.112 220 Q HA -0.255 4.085 4.340 -0.000 0.000 0.206 220 Q C 2.249 178.228 176.000 -0.035 0.000 0.987 220 Q CA 2.479 58.261 55.803 -0.034 0.000 0.858 220 Q CB -0.212 28.508 28.738 -0.030 0.000 0.905 220 Q HN 0.692 nan 8.270 nan 0.000 0.420 221 T N 1.288 115.820 114.554 -0.038 0.000 2.701 221 T HA -0.105 4.245 4.350 -0.000 0.000 0.263 221 T C 1.827 176.553 174.700 0.043 0.000 1.040 221 T CA 1.220 63.311 62.100 -0.016 0.000 1.147 221 T CB -0.232 68.597 68.868 -0.065 0.000 0.865 221 T HN 0.258 nan 8.240 nan 0.000 0.426 222 L N 0.693 121.895 121.223 -0.034 0.000 2.079 222 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 222 L C 2.675 179.520 176.870 -0.043 0.000 1.081 222 L CA 1.510 56.314 54.840 -0.060 0.000 0.752 222 L CB -0.567 41.421 42.059 -0.118 0.000 0.896 222 L HN 0.364 nan 8.230 nan 0.000 0.433 223 E N -0.445 119.729 120.200 -0.042 0.000 2.208 223 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 223 E C 2.118 178.694 176.600 -0.040 0.000 0.988 223 E CA 0.643 57.016 56.400 -0.047 0.000 0.828 223 E CB 0.052 29.725 29.700 -0.046 0.000 0.763 223 E HN 0.527 nan 8.360 nan 0.000 0.478 224 Q N -0.691 119.094 119.800 -0.025 0.000 2.435 224 Q HA -0.085 4.255 4.340 -0.000 0.000 0.207 224 Q C 0.695 176.572 176.000 -0.204 0.000 0.956 224 Q CA 0.777 56.520 55.803 -0.100 0.000 0.917 224 Q CB 0.219 28.883 28.738 -0.122 0.000 0.997 224 Q HN 0.357 nan 8.270 nan 0.000 0.497 225 H N -1.153 117.867 119.070 -0.084 0.000 2.893 225 H HA 0.073 4.629 4.556 -0.000 0.000 0.270 225 H C -0.693 174.602 175.328 -0.055 0.000 1.095 225 H CA -0.098 55.914 56.048 -0.059 0.000 1.186 225 H CB 0.771 30.509 29.762 -0.040 0.000 1.562 225 H HN 0.038 nan 8.280 nan 0.000 0.536 226 D N 0.427 120.832 120.400 0.007 0.000 2.746 226 D HA -0.181 4.459 4.640 -0.000 0.000 0.241 226 D C 0.558 176.792 176.300 -0.110 0.000 1.140 226 D CA 0.755 54.731 54.000 -0.040 0.000 0.707 226 D CB -1.044 39.748 40.800 -0.014 0.000 1.034 226 D HN 0.528 nan 8.370 nan 0.000 0.423 227 A N 0.915 123.592 122.820 -0.239 0.000 2.390 227 A HA 0.176 4.496 4.320 -0.000 0.000 0.225 227 A C 1.954 179.059 177.584 -0.798 0.000 1.232 227 A CA 0.132 51.778 52.037 -0.652 0.000 0.964 227 A CB 0.134 18.964 19.000 -0.282 0.000 1.064 227 A HN 0.323 nan 8.150 nan 0.000 0.525 228 M N 0.990 120.363 119.600 -0.378 0.000 2.296 228 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 228 M C 2.052 178.228 176.300 -0.206 0.000 1.064 228 M CA 1.610 56.763 55.300 -0.244 0.000 1.109 228 M CB -0.556 31.968 32.600 -0.127 0.000 1.396 228 M HN 0.664 nan 8.290 nan 0.000 0.430 229 K N 0.166 120.433 120.400 -0.220 0.000 2.439 229 K HA -0.153 4.167 4.320 -0.000 0.000 0.197 229 K C 0.787 177.425 176.600 0.063 0.000 1.041 229 K CA 1.137 57.389 56.287 -0.058 0.000 0.970 229 K CB -0.279 32.215 32.500 -0.009 0.000 0.773 229 K HN 0.471 nan 8.250 nan 0.000 0.479 230 Y N -1.104 119.251 120.300 0.090 0.000 2.612 230 Y HA 0.502 5.052 4.550 -0.000 0.000 0.250 230 Y C -0.158 175.812 175.900 0.116 0.000 1.175 230 Y CA -1.218 56.966 58.100 0.140 0.000 1.205 230 Y CB 0.111 38.600 38.460 0.049 0.000 1.201 230 Y HN -0.147 nan 8.280 nan 0.000 0.532 231 S N 1.124 116.863 115.700 0.064 0.000 2.593 231 S HA 0.736 5.206 4.470 -0.000 0.000 0.297 231 S C -0.732 173.920 174.600 0.087 0.000 1.112 231 S CA -0.575 57.672 58.200 0.079 0.000 1.043 231 S CB 1.571 64.750 63.200 -0.035 0.000 1.054 231 S HN 0.242 nan 8.310 nan 0.000 0.516 232 I N 2.481 123.115 120.570 0.107 0.000 2.499 232 I HA 0.378 4.548 4.170 -0.000 0.000 0.288 232 I C -1.157 175.026 176.117 0.110 0.000 1.048 232 I CA -0.460 60.902 61.300 0.102 0.000 1.062 232 I CB 1.580 39.657 38.000 0.128 0.000 1.238 232 I HN 0.378 nan 8.210 nan 0.000 0.426 233 I N 7.388 128.016 120.570 0.097 0.000 2.328 233 I HA 0.281 4.451 4.170 -0.000 0.000 0.287 233 I C -0.183 175.996 176.117 0.104 0.000 1.012 233 I CA -0.666 60.712 61.300 0.130 0.000 1.195 233 I CB 1.337 39.404 38.000 0.112 0.000 1.350 233 I HN 0.127 nan 8.210 nan 0.000 0.464 234 V N 6.162 126.135 119.914 0.099 0.000 2.304 234 V HA 0.532 4.652 4.120 -0.000 0.000 0.269 234 V C 0.668 176.805 176.094 0.073 0.000 1.036 234 V CA -0.589 61.756 62.300 0.074 0.000 0.840 234 V CB 1.031 32.891 31.823 0.061 0.000 1.036 234 V HN 0.813 nan 8.190 nan 0.000 0.466 235 A N 4.037 126.907 122.820 0.082 0.000 2.276 235 A HA 0.842 5.162 4.320 -0.000 0.000 0.316 235 A C 0.406 178.037 177.584 0.078 0.000 1.229 235 A CA -0.203 51.883 52.037 0.083 0.000 0.851 235 A CB 1.137 20.191 19.000 0.091 0.000 1.165 235 A HN 1.218 nan 8.150 nan 0.000 0.513 236 A N 3.237 126.102 122.820 0.075 0.000 3.204 236 A HA 0.557 4.877 4.320 -0.000 0.000 0.327 236 A C 0.657 178.284 177.584 0.073 0.000 0.998 236 A CA 0.064 52.150 52.037 0.082 0.000 0.891 236 A CB -0.822 18.234 19.000 0.093 0.000 1.061 236 A HN 1.214 nan 8.150 nan 0.000 0.478 237 T N -1.743 112.852 114.554 0.069 0.000 2.734 237 T HA 0.370 4.720 4.350 -0.000 0.000 0.314 237 T C 1.615 176.348 174.700 0.055 0.000 1.057 237 T CA 0.099 62.236 62.100 0.062 0.000 1.047 237 T CB 0.728 69.631 68.868 0.058 0.000 0.991 237 T HN 1.026 nan 8.240 nan 0.000 0.540 238 A N 1.227 124.077 122.820 0.049 0.000 1.948 238 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 238 A C 2.607 180.213 177.584 0.037 0.000 1.177 238 A CA 2.256 54.319 52.037 0.043 0.000 0.636 238 A CB -1.499 17.524 19.000 0.038 0.000 0.815 238 A HN 1.187 nan 8.150 nan 0.000 0.449 239 S N -0.407 115.314 115.700 0.035 0.000 2.481 239 S HA 0.014 4.484 4.470 -0.000 0.000 0.231 239 S C 0.584 175.201 174.600 0.030 0.000 0.996 239 S CA 0.410 58.627 58.200 0.029 0.000 0.942 239 S CB -0.228 62.988 63.200 0.027 0.000 0.768 239 S HN 0.638 nan 8.310 nan 0.000 0.520 240 E N 1.368 121.592 120.200 0.040 0.000 2.374 240 E HA 0.574 4.924 4.350 -0.000 0.000 0.260 240 E C 0.189 176.806 176.600 0.030 0.000 1.101 240 E CA -0.111 56.316 56.400 0.045 0.000 0.907 240 E CB 0.640 30.380 29.700 0.067 0.000 1.014 240 E HN 0.470 nan 8.360 nan 0.000 0.427 241 A N 1.586 124.416 122.820 0.016 0.000 2.483 241 A HA 0.279 4.599 4.320 -0.000 0.000 0.238 241 A C 1.253 178.820 177.584 -0.029 0.000 1.070 241 A CA 0.520 52.542 52.037 -0.025 0.000 0.770 241 A CB 0.269 19.230 19.000 -0.066 0.000 1.008 241 A HN 0.792 nan 8.150 nan 0.000 0.497 242 A N 2.914 125.711 122.820 -0.039 0.000 1.917 242 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 242 A C -0.129 177.466 177.584 0.018 0.000 1.182 242 A CA 2.215 54.251 52.037 -0.001 0.000 0.633 242 A CB -1.763 17.226 19.000 -0.018 0.000 0.819 242 A HN 0.645 nan 8.150 nan 0.000 0.448 243 P HA -0.165 nan 4.420 nan 0.000 0.215 243 P C 1.465 178.811 177.300 0.077 0.000 1.157 243 P CA 1.040 64.061 63.100 -0.133 0.000 0.874 243 P CB -0.177 31.127 31.700 -0.660 0.000 0.790 244 L N -0.978 120.256 121.223 0.019 0.000 2.046 244 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 244 L C 2.706 179.680 176.870 0.173 0.000 1.077 244 L CA 1.601 56.556 54.840 0.192 0.000 0.747 244 L CB -1.042 41.142 42.059 0.209 0.000 0.896 244 L HN 0.020 nan 8.230 nan 0.000 0.432 245 Q N -0.981 118.905 119.800 0.142 0.000 2.084 245 Q HA -0.264 4.076 4.340 -0.000 0.000 0.202 245 Q C 2.177 178.285 176.000 0.180 0.000 0.978 245 Q CA 2.069 57.955 55.803 0.138 0.000 0.844 245 Q CB -0.389 28.420 28.738 0.119 0.000 0.898 245 Q HN 0.565 nan 8.270 nan 0.000 0.426 246 Y N 0.972 121.333 120.300 0.101 0.000 2.181 246 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 246 Y C 1.736 177.762 175.900 0.209 0.000 1.146 246 Y CA 1.315 59.500 58.100 0.142 0.000 1.164 246 Y CB -0.180 38.364 38.460 0.139 0.000 0.982 246 Y HN -0.017 nan 8.280 nan 0.000 0.515 247 L N -0.162 121.086 121.223 0.042 0.000 2.270 247 L HA 0.023 4.363 4.340 -0.000 0.000 0.210 247 L C 2.817 179.753 176.870 0.110 0.000 1.104 247 L CA 0.662 55.513 54.840 0.017 0.000 0.804 247 L CB -0.816 41.365 42.059 0.202 0.000 0.937 247 L HN 0.356 nan 8.230 nan 0.000 0.450 248 A N 1.234 124.116 122.820 0.102 0.000 1.896 248 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 248 A C -0.139 177.486 177.584 0.068 0.000 1.206 248 A CA 2.345 54.435 52.037 0.088 0.000 0.647 248 A CB -1.961 17.084 19.000 0.076 0.000 0.828 248 A HN 0.277 nan 8.150 nan 0.000 0.455 249 P HA -0.089 nan 4.420 nan 0.000 0.216 249 P C 1.105 178.368 177.300 -0.062 0.000 1.153 249 P CA 1.077 64.164 63.100 -0.022 0.000 0.848 249 P CB -0.195 31.273 31.700 -0.386 0.000 0.787 250 F N -0.638 119.270 119.950 -0.069 0.000 2.113 250 F HA -0.150 4.377 4.527 -0.000 0.000 0.297 250 F C 2.475 178.276 175.800 0.002 0.000 1.103 250 F CA 1.574 59.533 58.000 -0.069 0.000 1.248 250 F CB -1.870 37.030 39.000 -0.167 0.000 0.999 250 F HN -0.132 nan 8.300 nan 0.000 0.475 251 T N -0.041 114.637 114.554 0.207 0.000 2.665 251 T HA -0.268 4.082 4.350 -0.000 0.000 0.268 251 T C 2.215 176.986 174.700 0.118 0.000 1.035 251 T CA 1.622 63.805 62.100 0.139 0.000 1.151 251 T CB -0.661 68.279 68.868 0.120 0.000 0.862 251 T HN 0.316 nan 8.240 nan 0.000 0.438 252 A N 0.961 123.848 122.820 0.113 0.000 1.969 252 A HA 0.259 4.579 4.320 -0.000 0.000 0.218 252 A C 2.602 180.249 177.584 0.105 0.000 1.169 252 A CA 1.682 53.774 52.037 0.092 0.000 0.635 252 A CB -0.926 18.107 19.000 0.056 0.000 0.810 252 A HN 0.511 nan 8.150 nan 0.000 0.445 253 A N -0.252 122.652 122.820 0.139 0.000 1.902 253 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 253 A C 2.422 180.089 177.584 0.139 0.000 1.181 253 A CA 2.069 54.194 52.037 0.147 0.000 0.623 253 A CB -0.841 18.254 19.000 0.157 0.000 0.818 253 A HN 0.454 nan 8.150 nan 0.000 0.443 254 S N -0.113 115.668 115.700 0.135 0.000 2.368 254 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 254 S C 1.786 176.473 174.600 0.146 0.000 1.030 254 S CA 1.438 59.714 58.200 0.128 0.000 0.999 254 S CB -0.510 62.756 63.200 0.110 0.000 0.844 254 S HN 0.541 nan 8.310 nan 0.000 0.459 255 I N 1.557 122.209 120.570 0.137 0.000 2.163 255 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 255 I C 2.682 178.962 176.117 0.272 0.000 1.085 255 I CA 1.355 62.746 61.300 0.151 0.000 1.347 255 I CB -0.768 37.306 38.000 0.124 0.000 1.044 255 I HN 0.390 nan 8.210 nan 0.000 0.408 256 G N -0.175 108.785 108.800 0.266 0.000 2.408 256 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 256 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 256 G C 1.509 176.593 174.900 0.306 0.000 1.150 256 G CA 0.441 45.740 45.100 0.332 0.000 0.776 256 G HN 0.397 nan 8.290 nan 0.000 0.542 257 E N -0.708 119.614 120.200 0.204 0.000 2.204 257 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 257 E C 1.897 178.562 176.600 0.107 0.000 0.990 257 E CA 0.551 57.032 56.400 0.135 0.000 0.821 257 E CB -0.179 29.580 29.700 0.099 0.000 0.750 257 E HN 0.667 nan 8.360 nan 0.000 0.477 258 W N 0.643 121.928 121.300 -0.024 0.000 2.315 258 W HA -0.274 4.386 4.660 -0.000 0.000 0.323 258 W C 1.653 178.078 176.519 -0.156 0.000 1.233 258 W CA 1.716 58.975 57.345 -0.143 0.000 1.267 258 W CB -0.493 28.797 29.460 -0.283 0.000 1.160 258 W HN -0.012 nan 8.180 nan 0.000 0.474 259 F N 0.433 120.585 119.950 0.337 0.000 2.091 259 F HA -0.252 4.275 4.527 -0.000 0.000 0.299 259 F C 2.767 178.517 175.800 -0.084 0.000 1.103 259 F CA 2.439 60.531 58.000 0.153 0.000 1.228 259 F CB -1.325 37.793 39.000 0.196 0.000 0.984 259 F HN -0.124 nan 8.300 nan 0.000 0.477 260 R N 0.503 121.090 120.500 0.145 0.000 2.091 260 R HA -0.186 4.154 4.340 -0.000 0.000 0.238 260 R C 1.462 177.702 176.300 -0.100 0.000 1.136 260 R CA 2.070 58.183 56.100 0.022 0.000 0.959 260 R CB -0.493 29.842 30.300 0.057 0.000 0.856 260 R HN 0.167 nan 8.270 nan 0.000 0.437 261 D N -0.039 120.253 120.400 -0.179 0.000 2.371 261 D HA -0.045 4.595 4.640 -0.000 0.000 0.221 261 D C 0.331 176.426 176.300 -0.341 0.000 0.986 261 D CA 0.726 54.580 54.000 -0.243 0.000 0.899 261 D CB -0.017 40.623 40.800 -0.267 0.000 0.902 261 D HN 0.224 nan 8.370 nan 0.000 0.530 262 N N -0.388 118.052 118.700 -0.433 0.000 2.338 262 N HA 0.155 4.895 4.740 -0.000 0.000 0.251 262 N C 0.663 176.021 175.510 -0.254 0.000 1.199 262 N CA 0.140 52.917 53.050 -0.455 0.000 0.879 262 N CB 1.408 39.368 38.487 -0.878 0.000 1.159 262 N HN 0.047 nan 8.380 nan 0.000 0.514 263 G N 1.411 110.092 108.800 -0.198 0.000 2.198 263 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 263 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 263 G C 0.113 174.885 174.900 -0.214 0.000 1.025 263 G CA 0.619 45.617 45.100 -0.171 0.000 0.769 263 G HN 0.314 nan 8.290 nan 0.000 0.507 264 K N -0.712 119.574 120.400 -0.190 0.000 2.303 264 K HA 0.665 4.985 4.320 -0.000 0.000 0.233 264 K C -0.485 175.931 176.600 -0.306 0.000 1.046 264 K CA -1.006 55.221 56.287 -0.099 0.000 0.895 264 K CB 1.109 33.803 32.500 0.324 0.000 1.220 264 K HN 0.290 nan 8.250 nan 0.000 0.470 265 H N -0.097 119.083 119.070 0.183 0.000 2.800 265 H HA 0.395 4.951 4.556 -0.000 0.000 0.322 265 H C -0.940 174.421 175.328 0.056 0.000 0.979 265 H CA -0.617 55.474 56.048 0.071 0.000 1.277 265 H CB 1.671 31.408 29.762 -0.041 0.000 1.484 265 H HN 0.678 nan 8.280 nan 0.000 0.512 266 A N 3.412 126.327 122.820 0.158 0.000 2.294 266 A HA 0.644 4.964 4.320 -0.000 0.000 0.330 266 A C -0.667 176.938 177.584 0.035 0.000 1.133 266 A CA -0.759 51.315 52.037 0.062 0.000 0.836 266 A CB 1.259 20.329 19.000 0.117 0.000 1.190 266 A HN 0.608 nan 8.150 nan 0.000 0.492 267 L N 1.838 123.058 121.223 -0.005 0.000 2.406 267 L HA 0.756 5.096 4.340 -0.000 0.000 0.272 267 L C -1.210 175.627 176.870 -0.056 0.000 0.980 267 L CA -0.483 54.340 54.840 -0.029 0.000 0.831 267 L CB 1.313 43.350 42.059 -0.037 0.000 1.253 267 L HN 0.713 nan 8.230 nan 0.000 0.406 268 I N 5.716 126.209 120.570 -0.129 0.000 2.362 268 I HA 0.519 4.689 4.170 -0.000 0.000 0.289 268 I C -1.183 174.668 176.117 -0.444 0.000 0.994 268 I CA -0.655 60.467 61.300 -0.296 0.000 1.158 268 I CB 1.589 39.355 38.000 -0.391 0.000 1.315 268 I HN 0.428 nan 8.210 nan 0.000 0.451 269 V N 8.331 128.018 119.914 -0.379 0.000 2.370 269 V HA 0.265 4.385 4.120 -0.000 0.000 0.279 269 V C -0.905 174.861 176.094 -0.547 0.000 1.029 269 V CA -0.358 61.739 62.300 -0.338 0.000 0.870 269 V CB 0.833 32.625 31.823 -0.052 0.000 0.984 269 V HN 0.501 nan 8.190 nan 0.000 0.451 270 Y N 2.569 122.740 120.300 -0.214 0.000 2.504 270 Y HA 0.455 5.005 4.550 -0.000 0.000 0.339 270 Y C 0.284 176.034 175.900 -0.249 0.000 0.974 270 Y CA -0.875 57.074 58.100 -0.251 0.000 1.232 270 Y CB 0.759 39.085 38.460 -0.223 0.000 1.108 270 Y HN 0.517 nan 8.280 nan 0.000 0.509 271 D N 3.624 123.900 120.400 -0.206 0.000 2.464 271 D HA 0.193 4.833 4.640 -0.000 0.000 0.243 271 D C -1.083 175.172 176.300 -0.076 0.000 1.104 271 D CA -0.395 53.509 54.000 -0.160 0.000 0.883 271 D CB 0.482 41.130 40.800 -0.254 0.000 1.050 271 D HN 0.689 nan 8.370 nan 0.000 0.524 272 D N 0.592 120.977 120.400 -0.024 0.000 2.585 272 D HA 0.282 4.922 4.640 -0.000 0.000 0.254 272 D C 0.847 177.134 176.300 -0.022 0.000 1.067 272 D CA -0.710 53.273 54.000 -0.028 0.000 1.090 272 D CB 1.155 41.942 40.800 -0.023 0.000 1.408 272 D HN 0.117 nan 8.370 nan 0.000 0.554 273 L N 0.035 121.215 121.223 -0.072 0.000 2.529 273 L HA 0.066 4.406 4.340 -0.000 0.000 0.223 273 L C 1.674 178.564 176.870 0.032 0.000 1.113 273 L CA 0.195 54.967 54.840 -0.113 0.000 0.861 273 L CB -0.188 41.588 42.059 -0.471 0.000 1.012 273 L HN 0.387 nan 8.230 nan 0.000 0.461 274 S N -0.013 115.709 115.700 0.037 0.000 2.355 274 S HA -0.116 4.354 4.470 -0.000 0.000 0.222 274 S C 1.913 176.604 174.600 0.152 0.000 1.031 274 S CA 0.972 59.237 58.200 0.109 0.000 0.993 274 S CB -0.053 63.191 63.200 0.074 0.000 0.859 274 S HN 0.301 nan 8.310 nan 0.000 0.453 275 K N 1.304 121.769 120.400 0.107 0.000 2.152 275 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 275 K C 2.245 178.932 176.600 0.144 0.000 1.048 275 K CA 0.940 57.292 56.287 0.109 0.000 0.933 275 K CB -0.321 32.222 32.500 0.073 0.000 0.721 275 K HN 0.457 nan 8.250 nan 0.000 0.447 276 Q N 0.202 120.098 119.800 0.160 0.000 2.062 276 Q HA -0.022 4.318 4.340 -0.000 0.000 0.196 276 Q C 1.971 178.140 176.000 0.281 0.000 0.967 276 Q CA 1.077 56.997 55.803 0.195 0.000 0.832 276 Q CB 0.051 28.877 28.738 0.147 0.000 0.899 276 Q HN 0.232 nan 8.270 nan 0.000 0.442 277 A N 0.228 123.232 122.820 0.307 0.000 1.972 277 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 277 A C 2.220 180.108 177.584 0.508 0.000 1.169 277 A CA 1.272 53.532 52.037 0.371 0.000 0.635 277 A CB -0.633 18.532 19.000 0.275 0.000 0.810 277 A HN 0.279 nan 8.150 nan 0.000 0.446 278 V N -0.193 119.950 119.914 0.382 0.000 2.261 278 V HA -0.276 3.843 4.120 -0.000 0.000 0.246 278 V C 3.089 179.277 176.094 0.157 0.000 1.047 278 V CA 2.079 64.522 62.300 0.237 0.000 1.015 278 V CB -1.155 30.769 31.823 0.168 0.000 0.642 278 V HN 0.621 nan 8.190 nan 0.000 0.446 279 A N -1.105 121.826 122.820 0.185 0.000 1.908 279 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 279 A C 2.180 179.879 177.584 0.192 0.000 1.181 279 A CA 2.228 54.361 52.037 0.160 0.000 0.627 279 A CB -0.837 18.275 19.000 0.186 0.000 0.818 279 A HN 0.651 nan 8.150 nan 0.000 0.445 280 Y N 0.428 120.817 120.300 0.149 0.000 2.224 280 Y HA -0.191 4.359 4.550 -0.000 0.000 0.289 280 Y C 2.447 178.362 175.900 0.025 0.000 1.146 280 Y CA 1.922 60.086 58.100 0.106 0.000 1.182 280 Y CB -0.498 38.099 38.460 0.228 0.000 0.983 280 Y HN 0.343 nan 8.280 nan 0.000 0.524 281 R N 0.079 120.557 120.500 -0.037 0.000 2.096 281 R HA -0.225 4.115 4.340 -0.000 0.000 0.235 281 R C 2.470 178.637 176.300 -0.221 0.000 1.127 281 R CA 1.733 57.701 56.100 -0.221 0.000 0.968 281 R CB -0.336 29.785 30.300 -0.299 0.000 0.861 281 R HN 0.534 nan 8.270 nan 0.000 0.440 282 Q N 0.354 120.073 119.800 -0.135 0.000 2.096 282 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 282 Q C 2.037 177.949 176.000 -0.147 0.000 0.982 282 Q CA 1.818 57.550 55.803 -0.119 0.000 0.850 282 Q CB -0.047 28.650 28.738 -0.068 0.000 0.901 282 Q HN 0.422 nan 8.270 nan 0.000 0.422 283 L N -0.541 120.576 121.223 -0.176 0.000 2.044 283 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 283 L C 2.559 179.281 176.870 -0.247 0.000 1.075 283 L CA 1.013 55.729 54.840 -0.206 0.000 0.747 283 L CB -0.417 41.498 42.059 -0.241 0.000 0.903 283 L HN 0.138 nan 8.230 nan 0.000 0.435 284 S N -0.100 115.371 115.700 -0.381 0.000 2.423 284 S HA -0.042 4.428 4.470 -0.000 0.000 0.231 284 S C 1.956 176.414 174.600 -0.236 0.000 1.014 284 S CA 0.963 58.930 58.200 -0.387 0.000 0.965 284 S CB -0.090 62.716 63.200 -0.656 0.000 0.785 284 S HN 0.236 nan 8.310 nan 0.000 0.495 285 L N 0.656 121.751 121.223 -0.213 0.000 2.049 285 L HA 0.019 4.359 4.340 -0.000 0.000 0.203 285 L C 2.158 178.958 176.870 -0.116 0.000 1.074 285 L CA 0.860 55.608 54.840 -0.152 0.000 0.749 285 L CB -0.503 41.465 42.059 -0.152 0.000 0.907 285 L HN 0.267 nan 8.230 nan 0.000 0.439 286 L N -0.210 120.944 121.223 -0.115 0.000 2.043 286 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 286 L C 2.099 178.926 176.870 -0.072 0.000 1.075 286 L CA 1.304 56.092 54.840 -0.086 0.000 0.752 286 L CB -0.443 41.565 42.059 -0.086 0.000 0.891 286 L HN 0.295 nan 8.230 nan 0.000 0.432 287 L N -0.341 120.833 121.223 -0.082 0.000 2.693 287 L HA 0.010 4.350 4.340 -0.000 0.000 0.242 287 L C 0.884 177.725 176.870 -0.049 0.000 1.157 287 L CA 0.187 54.991 54.840 -0.059 0.000 0.929 287 L CB -0.385 41.636 42.059 -0.065 0.000 1.103 287 L HN 0.266 nan 8.230 nan 0.000 0.430 288 R N -0.426 120.042 120.500 -0.054 0.000 3.953 288 R HA -0.182 4.158 4.340 -0.000 0.000 0.340 288 R C 0.107 176.381 176.300 -0.043 0.000 1.195 288 R CA 0.564 56.637 56.100 -0.044 0.000 0.929 288 R CB -1.481 28.802 30.300 -0.029 0.000 1.402 288 R HN 0.409 nan 8.270 nan 0.000 0.540 289 R N 1.352 121.818 120.500 -0.057 0.000 2.347 289 R HA 0.177 4.517 4.340 -0.000 0.000 0.304 289 R C -2.095 174.174 176.300 -0.052 0.000 1.072 289 R CA -1.476 54.594 56.100 -0.049 0.000 0.980 289 R CB 0.328 30.591 30.300 -0.062 0.000 0.986 289 R HN -0.095 nan 8.270 nan 0.000 0.448 290 P HA -0.030 nan 4.420 nan 0.000 0.263 290 P C -2.345 174.932 177.300 -0.039 0.000 1.175 290 P CA -0.580 62.502 63.100 -0.029 0.000 0.761 290 P CB 0.122 31.814 31.700 -0.012 0.000 0.794 291 P HA 0.343 nan 4.420 nan 0.000 0.290 291 P C -0.075 177.198 177.300 -0.046 0.000 1.275 291 P CA -0.205 62.858 63.100 -0.061 0.000 0.841 291 P CB 1.788 33.442 31.700 -0.077 0.000 1.042 292 G N 1.426 110.193 108.800 -0.054 0.000 3.175 292 G HA2 0.329 4.289 3.960 -0.000 0.000 0.153 292 G HA3 0.329 4.289 3.960 -0.000 0.000 0.153 292 G C -0.605 174.237 174.900 -0.097 0.000 1.216 292 G CA -0.813 44.253 45.100 -0.057 0.000 0.943 292 G HN 0.566 nan 8.290 nan 0.000 0.611 293 R N 0.606 121.012 120.500 -0.155 0.000 2.502 293 R HA 0.117 4.457 4.340 -0.000 0.000 0.292 293 R C 0.082 176.275 176.300 -0.178 0.000 0.998 293 R CA 0.955 56.952 56.100 -0.172 0.000 1.056 293 R CB -0.243 29.949 30.300 -0.180 0.000 0.939 293 R HN 0.714 nan 8.270 nan 0.000 0.411 294 E N 2.575 122.739 120.200 -0.059 0.000 3.170 294 E HA -0.338 4.012 4.350 -0.000 0.000 0.284 294 E C 0.267 176.772 176.600 -0.158 0.000 0.967 294 E CA 0.594 56.979 56.400 -0.025 0.000 0.919 294 E CB -1.053 28.739 29.700 0.153 0.000 1.469 294 E HN 0.918 nan 8.360 nan 0.000 0.444 295 A N -2.384 120.345 122.820 -0.151 0.000 3.172 295 A HA -0.301 4.019 4.320 -0.000 0.000 0.263 295 A C 0.061 177.496 177.584 -0.248 0.000 1.215 295 A CA 1.720 53.641 52.037 -0.194 0.000 1.065 295 A CB -2.058 16.818 19.000 -0.207 0.000 1.148 295 A HN 0.415 nan 8.150 nan 0.000 0.904 296 Y N 0.872 121.069 120.300 -0.172 0.000 2.397 296 Y HA 0.427 4.977 4.550 -0.000 0.000 0.335 296 Y C -1.307 174.511 175.900 -0.136 0.000 1.213 296 Y CA -1.054 56.955 58.100 -0.150 0.000 1.391 296 Y CB 0.313 38.677 38.460 -0.160 0.000 1.293 296 Y HN 0.257 nan 8.280 nan 0.000 0.557 297 P HA 0.035 nan 4.420 nan 0.000 0.271 297 P C 0.370 177.764 177.300 0.156 0.000 1.218 297 P CA -0.243 62.891 63.100 0.057 0.000 0.780 297 P CB 0.802 32.501 31.700 -0.002 0.000 0.901 298 G N 1.573 110.449 108.800 0.128 0.000 3.337 298 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.226 298 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.226 298 G C 0.425 175.466 174.900 0.235 0.000 1.295 298 G CA -0.029 45.169 45.100 0.164 0.000 1.427 298 G HN 0.709 nan 8.290 nan 0.000 0.535 299 D N -1.553 119.037 120.400 0.317 0.000 2.755 299 D HA -0.087 4.553 4.640 -0.000 0.000 0.293 299 D C 1.150 177.699 176.300 0.415 0.000 1.642 299 D CA -0.332 53.908 54.000 0.400 0.000 0.825 299 D CB -0.352 40.695 40.800 0.411 0.000 1.303 299 D HN 0.025 nan 8.370 nan 0.000 0.434 300 V N 0.218 120.380 119.914 0.413 0.000 2.759 300 V HA -0.061 4.059 4.120 -0.000 0.000 0.256 300 V C 1.845 178.034 176.094 0.159 0.000 1.080 300 V CA 1.339 63.825 62.300 0.310 0.000 1.101 300 V CB -0.826 31.189 31.823 0.319 0.000 0.698 300 V HN 0.289 nan 8.190 nan 0.000 0.477 301 F N 0.131 120.178 119.950 0.162 0.000 2.051 301 F HA -0.228 4.299 4.527 -0.000 0.000 0.296 301 F C 2.207 178.087 175.800 0.134 0.000 1.122 301 F CA 2.451 60.515 58.000 0.107 0.000 1.201 301 F CB -0.644 38.415 39.000 0.098 0.000 0.978 301 F HN 0.320 nan 8.300 nan 0.000 0.472 302 Y N 0.887 121.286 120.300 0.165 0.000 2.298 302 Y HA -0.254 4.296 4.550 -0.000 0.000 0.287 302 Y C 2.021 177.889 175.900 -0.054 0.000 1.164 302 Y CA 1.590 59.720 58.100 0.049 0.000 1.229 302 Y CB -0.860 37.690 38.460 0.150 0.000 0.977 302 Y HN 0.289 nan 8.280 nan 0.000 0.538 303 L N -0.529 120.584 121.223 -0.183 0.000 2.017 303 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 303 L C 2.228 178.931 176.870 -0.279 0.000 1.073 303 L CA 2.226 56.877 54.840 -0.315 0.000 0.745 303 L CB -0.640 41.160 42.059 -0.432 0.000 0.894 303 L HN 0.290 nan 8.230 nan 0.000 0.432 304 H N -1.945 116.961 119.070 -0.273 0.000 2.535 304 H HA -0.021 4.535 4.556 -0.000 0.000 0.273 304 H C 2.326 177.416 175.328 -0.397 0.000 0.983 304 H CA 0.672 56.505 56.048 -0.358 0.000 1.238 304 H CB 0.205 29.776 29.762 -0.317 0.000 1.412 304 H HN 0.522 nan 8.280 nan 0.000 0.562 305 S N 0.711 116.213 115.700 -0.331 0.000 2.371 305 S HA -0.109 4.361 4.470 -0.000 0.000 0.224 305 S C 2.038 176.544 174.600 -0.157 0.000 1.029 305 S CA 0.352 58.381 58.200 -0.285 0.000 0.978 305 S CB 0.005 63.025 63.200 -0.300 0.000 0.833 305 S HN 0.302 nan 8.310 nan 0.000 0.466 306 R N 0.463 120.855 120.500 -0.180 0.000 2.080 306 R HA -0.037 4.303 4.340 -0.000 0.000 0.236 306 R C 2.482 178.757 176.300 -0.042 0.000 1.137 306 R CA 1.673 57.713 56.100 -0.101 0.000 0.943 306 R CB -0.791 29.404 30.300 -0.175 0.000 0.846 306 R HN 0.484 nan 8.270 nan 0.000 0.431 307 L N 0.922 122.062 121.223 -0.139 0.000 2.017 307 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 307 L C 2.033 178.747 176.870 -0.260 0.000 1.073 307 L CA 1.643 56.267 54.840 -0.360 0.000 0.745 307 L CB -0.277 41.244 42.059 -0.896 0.000 0.894 307 L HN 0.131 nan 8.230 nan 0.000 0.432 308 L N -0.704 120.371 121.223 -0.248 0.000 2.156 308 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 308 L C 2.326 179.158 176.870 -0.064 0.000 1.095 308 L CA 0.615 55.359 54.840 -0.160 0.000 0.770 308 L CB -0.488 41.461 42.059 -0.183 0.000 0.914 308 L HN 0.293 nan 8.230 nan 0.000 0.439 309 E N 0.111 120.278 120.200 -0.056 0.000 2.478 309 E HA -0.116 4.234 4.350 -0.000 0.000 0.198 309 E C 2.061 178.667 176.600 0.010 0.000 1.046 309 E CA 0.392 56.784 56.400 -0.013 0.000 0.870 309 E CB 0.127 29.826 29.700 -0.001 0.000 0.818 309 E HN 0.481 nan 8.360 nan 0.000 0.527 310 R N 0.841 121.348 120.500 0.012 0.000 2.090 310 R HA 0.062 4.402 4.340 -0.000 0.000 0.228 310 R C 1.107 177.435 176.300 0.046 0.000 1.110 310 R CA 0.603 56.724 56.100 0.035 0.000 0.973 310 R CB -0.114 30.214 30.300 0.047 0.000 0.869 310 R HN -0.062 nan 8.270 nan 0.000 0.440 311 A N 1.293 124.144 122.820 0.050 0.000 2.548 311 A HA 0.449 4.769 4.320 -0.000 0.000 0.247 311 A C -0.104 177.505 177.584 0.041 0.000 1.067 311 A CA 0.534 52.603 52.037 0.054 0.000 0.757 311 A CB 0.030 19.065 19.000 0.058 0.000 0.996 311 A HN 0.386 nan 8.150 nan 0.000 0.504 312 A N 2.682 125.529 122.820 0.044 0.000 2.601 312 A HA 0.710 5.030 4.320 -0.000 0.000 0.291 312 A C -0.605 177.009 177.584 0.050 0.000 1.075 312 A CA -0.670 51.392 52.037 0.041 0.000 0.671 312 A CB 1.009 20.031 19.000 0.036 0.000 1.277 312 A HN 0.885 nan 8.150 nan 0.000 0.417 313 K N 1.281 121.712 120.400 0.051 0.000 2.274 313 K HA 0.712 5.032 4.320 -0.000 0.000 0.262 313 K C -1.328 175.309 176.600 0.061 0.000 0.961 313 K CA -0.474 55.855 56.287 0.069 0.000 0.833 313 K CB 0.777 33.325 32.500 0.079 0.000 1.102 313 K HN 0.624 nan 8.250 nan 0.000 0.436 314 L N 2.458 123.715 121.223 0.058 0.000 2.375 314 L HA 0.358 4.698 4.340 -0.000 0.000 0.268 314 L C 0.513 177.406 176.870 0.039 0.000 1.058 314 L CA -0.798 54.063 54.840 0.036 0.000 0.803 314 L CB 1.684 43.751 42.059 0.014 0.000 1.212 314 L HN 0.761 nan 8.230 nan 0.000 0.451 315 S N -0.456 115.257 115.700 0.022 0.000 2.608 315 S HA 0.119 4.589 4.470 -0.000 0.000 0.261 315 S C 0.801 175.408 174.600 0.012 0.000 1.314 315 S CA -0.585 57.624 58.200 0.015 0.000 0.992 315 S CB 0.798 64.001 63.200 0.005 0.000 0.935 315 S HN 0.691 nan 8.310 nan 0.000 0.564 316 E N 0.745 120.949 120.200 0.007 0.000 2.097 316 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 316 E C 1.792 178.390 176.600 -0.003 0.000 1.000 316 E CA 1.276 57.679 56.400 0.005 0.000 0.804 316 E CB -0.216 29.484 29.700 -0.001 0.000 0.740 316 E HN 0.719 nan 8.360 nan 0.000 0.454 317 K N 0.745 121.142 120.400 -0.005 0.000 2.360 317 K HA -0.205 4.114 4.320 -0.000 0.000 0.201 317 K C 1.366 177.958 176.600 -0.014 0.000 1.046 317 K CA 1.127 57.408 56.287 -0.009 0.000 0.940 317 K CB 0.142 32.637 32.500 -0.008 0.000 0.748 317 K HN -0.051 nan 8.250 nan 0.000 0.465 318 E N -2.060 118.132 120.200 -0.014 0.000 2.562 318 E HA 0.117 4.467 4.350 -0.000 0.000 0.214 318 E C 0.451 177.029 176.600 -0.037 0.000 0.979 318 E CA 0.593 56.979 56.400 -0.024 0.000 1.002 318 E CB 1.170 30.860 29.700 -0.016 0.000 1.048 318 E HN 0.385 nan 8.360 nan 0.000 0.488 319 G N -0.456 108.326 108.800 -0.029 0.000 2.253 319 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.209 319 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.209 319 G C 0.512 175.395 174.900 -0.029 0.000 0.997 319 G CA -0.021 45.054 45.100 -0.042 0.000 0.640 319 G HN 0.361 nan 8.290 nan 0.000 0.496 320 S N -0.552 115.146 115.700 -0.003 0.000 3.748 320 S HA -0.070 4.400 4.470 -0.000 0.000 0.329 320 S C 1.187 175.798 174.600 0.019 0.000 1.104 320 S CA 1.311 59.537 58.200 0.043 0.000 0.954 320 S CB -1.546 61.706 63.200 0.086 0.000 0.910 320 S HN 2.145 nan 8.310 nan 0.000 0.494 321 G N 0.653 109.427 108.800 -0.043 0.000 2.467 321 G HA2 0.526 4.486 3.960 -0.000 0.000 0.257 321 G HA3 0.526 4.486 3.960 -0.000 0.000 0.257 321 G C -0.194 174.729 174.900 0.038 0.000 1.227 321 G CA -0.119 44.921 45.100 -0.101 0.000 0.835 321 G HN 0.383 nan 8.290 nan 0.000 0.556 322 S N -0.504 115.268 115.700 0.121 0.000 2.537 322 S HA 0.574 5.044 4.470 -0.000 0.000 0.301 322 S C -0.924 173.756 174.600 0.132 0.000 1.092 322 S CA -0.431 57.895 58.200 0.209 0.000 1.048 322 S CB 1.601 65.032 63.200 0.386 0.000 1.053 322 S HN 0.499 nan 8.310 nan 0.000 0.501 323 L N 3.236 124.515 121.223 0.092 0.000 2.471 323 L HA 0.424 4.764 4.340 -0.000 0.000 0.263 323 L C -0.610 176.287 176.870 0.045 0.000 0.985 323 L CA 0.106 54.990 54.840 0.074 0.000 0.868 323 L CB 1.236 43.343 42.059 0.079 0.000 1.203 323 L HN 0.598 nan 8.230 nan 0.000 0.429 324 T N 3.633 118.200 114.554 0.021 0.000 2.817 324 T HA 0.732 5.082 4.350 -0.000 0.000 0.293 324 T C 0.112 174.805 174.700 -0.013 0.000 0.964 324 T CA -0.109 61.989 62.100 -0.003 0.000 1.085 324 T CB 1.173 70.022 68.868 -0.031 0.000 0.921 324 T HN 0.697 nan 8.240 nan 0.000 0.502 325 A N 3.479 126.302 122.820 0.006 0.000 2.317 325 A HA 0.696 5.016 4.320 -0.000 0.000 0.327 325 A C -0.058 177.526 177.584 -0.001 0.000 1.178 325 A CA -0.722 51.321 52.037 0.010 0.000 0.817 325 A CB 0.503 19.592 19.000 0.149 0.000 1.189 325 A HN 0.899 nan 8.150 nan 0.000 0.489 326 L N 4.320 125.519 121.223 -0.040 0.000 2.709 326 L HA 0.267 4.607 4.340 -0.000 0.000 0.236 326 L C -2.200 174.676 176.870 0.009 0.000 1.266 326 L CA -1.649 53.181 54.840 -0.017 0.000 0.987 326 L CB 0.947 42.990 42.059 -0.026 0.000 1.306 326 L HN 0.514 nan 8.230 nan 0.000 0.467 327 P HA 0.042 nan 4.420 nan 0.000 0.268 327 P C -0.442 176.849 177.300 -0.015 0.000 1.205 327 P CA 0.105 63.256 63.100 0.085 0.000 0.771 327 P CB 1.667 33.363 31.700 -0.008 0.000 0.858 328 V N 4.830 124.725 119.914 -0.032 0.000 2.459 328 V HA 0.380 4.500 4.120 -0.000 0.000 0.295 328 V C 0.448 176.493 176.094 -0.082 0.000 1.029 328 V CA -0.626 61.640 62.300 -0.056 0.000 0.874 328 V CB 1.738 33.538 31.823 -0.039 0.000 0.985 328 V HN 0.429 nan 8.190 nan 0.000 0.438 329 I N 3.344 123.860 120.570 -0.090 0.000 2.465 329 I HA 0.417 4.587 4.170 -0.000 0.000 0.291 329 I C 0.114 176.186 176.117 -0.075 0.000 1.014 329 I CA -0.394 60.857 61.300 -0.082 0.000 1.093 329 I CB 2.012 39.961 38.000 -0.086 0.000 1.267 329 I HN 0.792 nan 8.210 nan 0.000 0.431 330 E N 4.529 124.703 120.200 -0.043 0.000 2.259 330 E HA 0.320 4.670 4.350 -0.000 0.000 0.281 330 E C -0.334 176.252 176.600 -0.022 0.000 1.027 330 E CA -0.368 56.008 56.400 -0.039 0.000 0.838 330 E CB 1.015 30.709 29.700 -0.010 0.000 1.066 330 E HN 0.697 nan 8.360 nan 0.000 0.401 331 T N 1.895 116.425 114.554 -0.041 0.000 2.927 331 T HA 0.356 4.706 4.350 -0.000 0.000 0.281 331 T C -0.288 174.424 174.700 0.020 0.000 0.998 331 T CA -1.034 61.066 62.100 0.000 0.000 1.019 331 T CB 1.522 70.390 68.868 0.001 0.000 1.061 331 T HN 0.325 nan 8.240 nan 0.000 0.518 332 Q N 0.519 120.347 119.800 0.047 0.000 2.339 332 Q HA 0.478 4.818 4.340 -0.000 0.000 0.268 332 Q C 0.823 176.859 176.000 0.060 0.000 1.027 332 Q CA -0.055 55.778 55.803 0.050 0.000 0.759 332 Q CB 1.121 29.893 28.738 0.057 0.000 1.244 332 Q HN 1.360 nan 8.270 nan 0.000 0.464 333 G N 1.571 110.406 108.800 0.058 0.000 2.179 333 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.257 333 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.257 333 G C 0.786 175.739 174.900 0.088 0.000 1.010 333 G CA 0.643 45.783 45.100 0.067 0.000 0.736 333 G HN 1.331 nan 8.290 nan 0.000 0.513 334 G N -0.810 108.058 108.800 0.114 0.000 2.162 334 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.260 334 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.260 334 G C 0.232 175.242 174.900 0.184 0.000 0.976 334 G CA 0.951 46.169 45.100 0.198 0.000 0.655 334 G HN 1.445 nan 8.290 nan 0.000 0.533 335 D N 1.073 121.547 120.400 0.123 0.000 2.455 335 D HA 0.349 4.989 4.640 -0.000 0.000 0.234 335 D C 1.983 178.350 176.300 0.112 0.000 1.224 335 D CA 0.392 54.453 54.000 0.102 0.000 0.999 335 D CB 0.390 41.239 40.800 0.081 0.000 1.072 335 D HN 0.633 nan 8.370 nan 0.000 0.514 336 V N 1.093 121.086 119.914 0.132 0.000 3.241 336 V HA -0.052 4.068 4.120 -0.000 0.000 0.269 336 V C 1.492 177.631 176.094 0.075 0.000 1.151 336 V CA 1.001 63.380 62.300 0.130 0.000 1.158 336 V CB -0.289 31.625 31.823 0.151 0.000 0.764 336 V HN 0.298 nan 8.190 nan 0.000 0.508 337 S N 0.197 115.935 115.700 0.063 0.000 2.540 337 S HA 0.602 5.072 4.470 -0.000 0.000 0.218 337 S C 1.252 175.887 174.600 0.058 0.000 0.977 337 S CA 0.217 58.444 58.200 0.044 0.000 0.918 337 S CB 0.039 63.261 63.200 0.037 0.000 0.806 337 S HN 0.892 nan 8.310 nan 0.000 0.496 338 A N 0.569 123.436 122.820 0.078 0.000 2.521 338 A HA 0.184 4.504 4.320 -0.000 0.000 0.237 338 A C 0.871 178.523 177.584 0.114 0.000 1.087 338 A CA 0.161 52.266 52.037 0.112 0.000 0.777 338 A CB -0.211 18.858 19.000 0.116 0.000 1.035 338 A HN 0.438 nan 8.150 nan 0.000 0.510 339 Y N 0.666 120.997 120.300 0.051 0.000 2.070 339 Y HA -0.228 4.322 4.550 -0.000 0.000 0.280 339 Y C 1.976 177.868 175.900 -0.013 0.000 1.148 339 Y CA 2.462 60.575 58.100 0.021 0.000 1.125 339 Y CB -0.069 38.406 38.460 0.025 0.000 0.975 339 Y HN 0.512 nan 8.280 nan 0.000 0.492 340 I N 0.310 120.919 120.570 0.066 0.000 2.163 340 I HA -0.168 4.002 4.170 -0.000 0.000 0.240 340 I C -0.416 175.701 176.117 0.001 0.000 1.081 340 I CA 1.275 62.577 61.300 0.004 0.000 1.353 340 I CB -2.817 35.192 38.000 0.015 0.000 1.054 340 I HN 0.158 nan 8.210 nan 0.000 0.407 341 P HA -0.142 nan 4.420 nan 0.000 0.216 341 P C 1.831 179.138 177.300 0.011 0.000 1.154 341 P CA 1.907 65.018 63.100 0.017 0.000 0.865 341 P CB -0.172 31.555 31.700 0.045 0.000 0.789 342 T N -1.050 113.497 114.554 -0.012 0.000 2.746 342 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 342 T C 1.602 176.301 174.700 -0.002 0.000 1.039 342 T CA 1.437 63.522 62.100 -0.025 0.000 1.142 342 T CB -0.883 67.941 68.868 -0.074 0.000 0.866 342 T HN 0.107 nan 8.240 nan 0.000 0.444 343 N N 1.009 119.701 118.700 -0.014 0.000 2.013 343 N HA -0.084 4.656 4.740 -0.000 0.000 0.195 343 N C 1.931 177.537 175.510 0.159 0.000 1.051 343 N CA 0.968 54.132 53.050 0.190 0.000 0.851 343 N CB -0.996 37.603 38.487 0.186 0.000 1.044 343 N HN 0.155 nan 8.380 nan 0.000 0.422 344 V N 1.307 121.242 119.914 0.036 0.000 2.490 344 V HA -0.132 3.988 4.120 -0.000 0.000 0.250 344 V C 2.176 178.261 176.094 -0.014 0.000 1.061 344 V CA 0.998 63.268 62.300 -0.050 0.000 1.064 344 V CB -0.420 31.316 31.823 -0.144 0.000 0.670 344 V HN 0.275 nan 8.190 nan 0.000 0.461 345 I N 0.823 121.406 120.570 0.021 0.000 2.286 345 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 345 I C 2.534 178.682 176.117 0.052 0.000 1.115 345 I CA 1.841 63.163 61.300 0.036 0.000 1.392 345 I CB -0.278 37.750 38.000 0.047 0.000 1.065 345 I HN 0.485 nan 8.210 nan 0.000 0.418 346 S N 0.156 115.911 115.700 0.091 0.000 2.561 346 S HA 0.045 4.515 4.470 -0.000 0.000 0.225 346 S C 1.673 176.354 174.600 0.135 0.000 0.977 346 S CA 0.436 58.710 58.200 0.124 0.000 0.926 346 S CB -0.323 62.980 63.200 0.171 0.000 0.769 346 S HN 0.420 nan 8.310 nan 0.000 0.533 347 I N 1.661 122.279 120.570 0.079 0.000 2.685 347 I HA 0.052 4.222 4.170 -0.000 0.000 0.251 347 I C 1.611 177.727 176.117 -0.002 0.000 1.102 347 I CA 0.674 61.980 61.300 0.011 0.000 1.442 347 I CB -0.601 37.335 38.000 -0.106 0.000 1.194 347 I HN 0.355 nan 8.210 nan 0.000 0.448 348 T N -1.413 113.134 114.554 -0.011 0.000 2.701 348 T HA 0.035 4.385 4.350 -0.000 0.000 0.303 348 T C 0.385 175.091 174.700 0.011 0.000 1.030 348 T CA -0.288 61.807 62.100 -0.008 0.000 1.010 348 T CB 0.584 69.443 68.868 -0.015 0.000 1.007 348 T HN 0.081 nan 8.240 nan 0.000 0.532 349 D N 0.212 120.619 120.400 0.011 0.000 2.388 349 D HA 0.395 5.035 4.640 -0.000 0.000 0.221 349 D C 0.915 177.227 176.300 0.019 0.000 1.133 349 D CA 0.285 54.294 54.000 0.016 0.000 0.831 349 D CB 0.075 40.883 40.800 0.013 0.000 0.962 349 D HN 0.939 nan 8.370 nan 0.000 0.502 350 G N 0.333 109.147 108.800 0.022 0.000 2.359 350 G HA2 0.242 4.202 3.960 -0.000 0.000 0.293 350 G HA3 0.242 4.202 3.960 -0.000 0.000 0.293 350 G C -1.915 173.007 174.900 0.038 0.000 1.300 350 G CA -0.903 44.215 45.100 0.031 0.000 0.888 350 G HN 0.001 nan 8.290 nan 0.000 0.541 351 Q N -0.813 119.020 119.800 0.056 0.000 2.284 351 Q HA 0.639 4.979 4.340 -0.000 0.000 0.269 351 Q C -0.656 175.395 176.000 0.085 0.000 1.026 351 Q CA -0.441 55.407 55.803 0.075 0.000 0.831 351 Q CB 2.500 31.322 28.738 0.139 0.000 1.322 351 Q HN 0.648 nan 8.270 nan 0.000 0.419 352 I N 2.318 122.924 120.570 0.061 0.000 2.312 352 I HA 0.306 4.476 4.170 -0.000 0.000 0.291 352 I C -0.752 175.418 176.117 0.087 0.000 1.031 352 I CA -0.404 60.939 61.300 0.072 0.000 1.293 352 I CB 0.352 38.373 38.000 0.035 0.000 1.403 352 I HN 0.479 nan 8.210 nan 0.000 0.484 353 F N 7.841 127.795 119.950 0.006 0.000 2.385 353 F HA 0.561 5.088 4.527 -0.000 0.000 0.360 353 F C -0.630 175.173 175.800 0.005 0.000 1.122 353 F CA -0.501 57.502 58.000 0.004 0.000 1.090 353 F CB 0.739 39.741 39.000 0.003 0.000 1.150 353 F HN 0.221 nan 8.300 nan 0.000 0.472 354 L N 5.431 126.565 121.223 -0.148 0.000 2.322 354 L HA 0.505 4.845 4.340 -0.000 0.000 0.279 354 L C -0.595 176.283 176.870 0.015 0.000 1.036 354 L CA -0.465 54.360 54.840 -0.024 0.000 0.807 354 L CB 1.640 43.650 42.059 -0.081 0.000 1.226 354 L HN 0.502 nan 8.230 nan 0.000 0.433 355 E N 1.100 121.348 120.200 0.080 0.000 2.260 355 E HA 0.315 4.665 4.350 -0.000 0.000 0.266 355 E C 0.061 176.637 176.600 -0.040 0.000 0.887 355 E CA -0.419 56.026 56.400 0.075 0.000 0.777 355 E CB 2.118 31.898 29.700 0.133 0.000 1.205 355 E HN 0.736 nan 8.360 nan 0.000 0.414 356 A N 3.541 126.287 122.820 -0.123 0.000 1.869 356 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 356 A C 1.689 178.795 177.584 -0.797 0.000 1.203 356 A CA 1.597 53.405 52.037 -0.382 0.000 0.638 356 A CB -0.276 18.622 19.000 -0.170 0.000 0.831 356 A HN 0.646 nan 8.150 nan 0.000 0.450 357 E N -0.390 119.569 120.200 -0.402 0.000 2.204 357 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 357 E C 1.996 178.492 176.600 -0.173 0.000 0.990 357 E CA 0.984 57.225 56.400 -0.265 0.000 0.821 357 E CB -0.276 29.399 29.700 -0.042 0.000 0.750 357 E HN 0.701 nan 8.360 nan 0.000 0.477 358 L N -0.444 120.711 121.223 -0.114 0.000 2.131 358 L HA -0.076 4.264 4.340 -0.000 0.000 0.206 358 L C 2.365 179.221 176.870 -0.025 0.000 1.087 358 L CA 0.471 55.292 54.840 -0.031 0.000 0.767 358 L CB -0.354 41.718 42.059 0.022 0.000 0.917 358 L HN 0.045 nan 8.230 nan 0.000 0.441 359 F N 0.564 120.386 119.950 -0.215 0.000 2.046 359 F HA -0.327 4.200 4.527 -0.000 0.000 0.297 359 F C 2.424 178.209 175.800 -0.025 0.000 1.123 359 F CA 1.869 59.786 58.000 -0.137 0.000 1.199 359 F CB -0.292 38.611 39.000 -0.160 0.000 0.972 359 F HN 0.002 nan 8.300 nan 0.000 0.474 360 Y N 0.078 120.510 120.300 0.220 0.000 2.293 360 Y HA -0.089 4.461 4.550 -0.000 0.000 0.291 360 Y C 2.314 178.221 175.900 0.012 0.000 1.137 360 Y CA 0.956 59.121 58.100 0.107 0.000 1.202 360 Y CB -1.555 36.992 38.460 0.145 0.000 0.990 360 Y HN 0.059 nan 8.280 nan 0.000 0.537 361 K N 0.004 120.474 120.400 0.116 0.000 2.360 361 K HA -0.063 4.257 4.320 -0.000 0.000 0.201 361 K C 1.499 178.104 176.600 0.008 0.000 1.046 361 K CA 1.239 57.562 56.287 0.060 0.000 0.940 361 K CB -0.416 32.107 32.500 0.038 0.000 0.748 361 K HN 0.577 nan 8.250 nan 0.000 0.465 362 G N 0.047 108.813 108.800 -0.055 0.000 2.253 362 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.209 362 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.209 362 G C 0.134 174.955 174.900 -0.132 0.000 0.997 362 G CA -0.026 45.009 45.100 -0.108 0.000 0.640 362 G HN 0.197 nan 8.290 nan 0.000 0.496 363 I N 2.760 123.278 120.570 -0.087 0.000 2.460 363 I HA 0.296 4.466 4.170 -0.000 0.000 0.297 363 I C 0.640 176.712 176.117 -0.075 0.000 1.139 363 I CA 0.339 61.608 61.300 -0.052 0.000 1.340 363 I CB 0.023 38.024 38.000 0.001 0.000 1.444 363 I HN 0.075 nan 8.210 nan 0.000 0.557 364 R N 6.627 127.069 120.500 -0.098 0.000 2.451 364 R HA 0.439 4.779 4.340 -0.000 0.000 0.307 364 R C -2.686 173.602 176.300 -0.021 0.000 0.965 364 R CA -1.993 54.061 56.100 -0.077 0.000 0.865 364 R CB 1.296 31.463 30.300 -0.222 0.000 1.174 364 R HN 0.163 nan 8.270 nan 0.000 0.455 365 P HA -0.026 nan 4.420 nan 0.000 0.265 365 P C -0.258 177.087 177.300 0.076 0.000 1.193 365 P CA -0.021 63.114 63.100 0.060 0.000 0.765 365 P CB 0.750 32.474 31.700 0.040 0.000 0.823 366 A N 4.492 127.394 122.820 0.137 0.000 3.029 366 A HA 0.162 4.482 4.320 -0.000 0.000 0.251 366 A C 0.446 178.091 177.584 0.102 0.000 1.749 366 A CA -0.203 51.913 52.037 0.131 0.000 1.386 366 A CB -1.480 17.652 19.000 0.220 0.000 1.043 366 A HN 0.494 nan 8.150 nan 0.000 0.638 367 I N 1.069 121.691 120.570 0.086 0.000 2.441 367 I HA 0.045 4.215 4.170 -0.000 0.000 0.287 367 I C 0.529 176.709 176.117 0.105 0.000 1.049 367 I CA -0.384 60.974 61.300 0.097 0.000 1.381 367 I CB 0.789 38.834 38.000 0.076 0.000 1.409 367 I HN 0.350 nan 8.210 nan 0.000 0.523 368 N N 6.467 125.253 118.700 0.143 0.000 2.482 368 N HA 0.073 4.813 4.740 -0.000 0.000 0.242 368 N C 0.776 176.329 175.510 0.072 0.000 1.100 368 N CA -0.032 53.078 53.050 0.101 0.000 0.946 368 N CB 1.189 39.738 38.487 0.102 0.000 1.227 368 N HN 0.423 nan 8.380 nan 0.000 0.508 369 V N 2.968 122.919 119.914 0.062 0.000 2.469 369 V HA -0.151 3.969 4.120 -0.000 0.000 0.251 369 V C 2.181 178.298 176.094 0.039 0.000 1.064 369 V CA 2.205 64.539 62.300 0.058 0.000 1.066 369 V CB -0.668 31.196 31.823 0.068 0.000 0.667 369 V HN 0.694 nan 8.190 nan 0.000 0.461 370 G N -0.918 107.893 108.800 0.018 0.000 2.459 370 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.213 370 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.213 370 G C 1.461 176.343 174.900 -0.030 0.000 1.155 370 G CA 0.099 45.197 45.100 -0.004 0.000 0.811 370 G HN 0.464 nan 8.290 nan 0.000 0.534 371 L N 1.216 122.402 121.223 -0.062 0.000 2.478 371 L HA 0.168 4.508 4.340 -0.000 0.000 0.223 371 L C 0.647 177.509 176.870 -0.014 0.000 1.140 371 L CA -0.063 54.707 54.840 -0.116 0.000 0.842 371 L CB 0.100 41.952 42.059 -0.346 0.000 0.953 371 L HN 0.050 nan 8.230 nan 0.000 0.452 372 S N -0.275 115.449 115.700 0.040 0.000 2.578 372 S HA 0.611 5.081 4.470 -0.000 0.000 0.283 372 S C -0.342 174.287 174.600 0.048 0.000 1.195 372 S CA -0.596 57.649 58.200 0.076 0.000 1.050 372 S CB 2.050 65.305 63.200 0.093 0.000 1.012 372 S HN 0.031 nan 8.310 nan 0.000 0.511 373 V N -0.345 119.598 119.914 0.048 0.000 3.048 373 V HA 0.741 4.861 4.120 -0.000 0.000 0.303 373 V C -0.494 175.620 176.094 0.033 0.000 1.214 373 V CA -0.844 61.477 62.300 0.035 0.000 0.984 373 V CB 1.811 33.650 31.823 0.027 0.000 1.054 373 V HN 0.691 nan 8.190 nan 0.000 0.430 374 S N 1.445 117.160 115.700 0.026 0.000 2.528 374 S HA 0.421 4.891 4.470 -0.000 0.000 0.303 374 S C 0.968 175.578 174.600 0.018 0.000 1.123 374 S CA -0.583 57.629 58.200 0.020 0.000 1.138 374 S CB 0.477 63.686 63.200 0.015 0.000 0.984 374 S HN 0.799 nan 8.310 nan 0.000 0.474 375 R N 2.454 122.965 120.500 0.018 0.000 2.133 375 R HA -0.125 4.215 4.340 -0.000 0.000 0.247 375 R C 1.802 178.111 176.300 0.016 0.000 1.151 375 R CA 1.990 58.101 56.100 0.018 0.000 0.971 375 R CB -0.461 29.851 30.300 0.019 0.000 0.866 375 R HN 0.594 nan 8.270 nan 0.000 0.447 376 V N -0.258 119.664 119.914 0.014 0.000 2.295 376 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 376 V C 1.625 177.727 176.094 0.013 0.000 1.049 376 V CA 1.761 64.068 62.300 0.013 0.000 1.024 376 V CB -1.002 30.826 31.823 0.008 0.000 0.648 376 V HN 0.805 nan 8.190 nan 0.000 0.447 377 G N -0.262 108.545 108.800 0.012 0.000 2.562 377 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.250 377 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.250 377 G C 0.840 175.747 174.900 0.012 0.000 1.269 377 G CA 0.365 45.473 45.100 0.014 0.000 0.919 377 G HN 0.449 nan 8.290 nan 0.000 0.574 378 S N 0.252 115.962 115.700 0.016 0.000 2.409 378 S HA -0.186 4.284 4.470 -0.000 0.000 0.237 378 S C 2.890 177.498 174.600 0.014 0.000 1.060 378 S CA 3.085 61.295 58.200 0.016 0.000 1.052 378 S CB -0.965 62.246 63.200 0.020 0.000 0.871 378 S HN 1.962 nan 8.310 nan 0.000 0.465 379 A N 1.700 124.530 122.820 0.017 0.000 1.915 379 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 379 A C 2.415 180.011 177.584 0.020 0.000 1.198 379 A CA 2.400 54.452 52.037 0.025 0.000 0.647 379 A CB -1.311 17.707 19.000 0.030 0.000 0.825 379 A HN 0.670 nan 8.150 nan 0.000 0.456 380 A N -1.348 121.471 122.820 -0.001 0.000 1.898 380 A HA 0.051 4.371 4.320 -0.000 0.000 0.214 380 A C 1.449 179.005 177.584 -0.047 0.000 1.183 380 A CA 0.913 52.928 52.037 -0.036 0.000 0.622 380 A CB -0.472 18.500 19.000 -0.047 0.000 0.824 380 A HN 0.673 nan 8.150 nan 0.000 0.444 381 Q N 0.423 120.208 119.800 -0.026 0.000 2.352 381 Q HA 0.136 4.476 4.340 -0.000 0.000 0.326 381 Q C -0.672 175.316 176.000 -0.020 0.000 1.135 381 Q CA -0.031 55.760 55.803 -0.020 0.000 1.000 381 Q CB 0.402 29.140 28.738 -0.000 0.000 1.237 381 Q HN 0.290 nan 8.270 nan 0.000 0.409 382 V N 4.732 124.635 119.914 -0.018 0.000 2.572 382 V HA -0.062 4.058 4.120 -0.000 0.000 0.291 382 V C 1.339 177.437 176.094 0.006 0.000 1.039 382 V CA 0.228 62.522 62.300 -0.011 0.000 1.055 382 V CB 1.085 32.907 31.823 -0.002 0.000 0.969 382 V HN 0.887 nan 8.190 nan 0.000 0.482 383 K N 3.967 124.371 120.400 0.007 0.000 2.074 383 K HA -0.216 4.104 4.320 -0.000 0.000 0.209 383 K C 2.138 178.750 176.600 0.020 0.000 1.048 383 K CA 1.842 58.137 56.287 0.014 0.000 0.926 383 K CB -0.307 32.200 32.500 0.013 0.000 0.713 383 K HN 0.877 nan 8.250 nan 0.000 0.444 384 A N 0.456 123.286 122.820 0.017 0.000 1.940 384 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 384 A C 1.994 179.597 177.584 0.032 0.000 1.176 384 A CA 1.320 53.369 52.037 0.019 0.000 0.631 384 A CB -0.509 18.498 19.000 0.012 0.000 0.814 384 A HN 0.286 nan 8.150 nan 0.000 0.446 385 L N -0.260 120.982 121.223 0.032 0.000 2.072 385 L HA -0.015 4.325 4.340 -0.000 0.000 0.205 385 L C 2.275 179.171 176.870 0.043 0.000 1.079 385 L CA 2.276 57.140 54.840 0.040 0.000 0.752 385 L CB -0.676 41.404 42.059 0.034 0.000 0.906 385 L HN 0.477 nan 8.230 nan 0.000 0.436 386 K N -1.003 119.418 120.400 0.035 0.000 2.160 386 K HA -0.237 4.083 4.320 -0.000 0.000 0.206 386 K C 2.011 178.640 176.600 0.048 0.000 1.047 386 K CA 1.675 57.984 56.287 0.037 0.000 0.930 386 K CB 0.017 32.534 32.500 0.028 0.000 0.720 386 K HN 0.483 nan 8.250 nan 0.000 0.450 387 Q N -0.202 119.628 119.800 0.051 0.000 2.049 387 Q HA -0.112 4.228 4.340 -0.000 0.000 0.198 387 Q C 2.113 178.167 176.000 0.090 0.000 0.971 387 Q CA 1.719 57.561 55.803 0.064 0.000 0.833 387 Q CB 0.131 28.904 28.738 0.057 0.000 0.896 387 Q HN 0.353 nan 8.270 nan 0.000 0.434 388 V N -2.994 116.979 119.914 0.099 0.000 2.788 388 V HA 0.155 4.275 4.120 -0.000 0.000 0.251 388 V C 1.621 177.763 176.094 0.079 0.000 1.068 388 V CA 1.321 63.697 62.300 0.127 0.000 1.090 388 V CB -0.309 31.615 31.823 0.169 0.000 0.710 388 V HN 0.212 nan 8.190 nan 0.000 0.467 389 A N 0.597 123.457 122.820 0.067 0.000 2.390 389 A HA 0.540 4.860 4.320 -0.000 0.000 0.232 389 A C 2.014 179.640 177.584 0.069 0.000 1.233 389 A CA 0.585 52.655 52.037 0.055 0.000 0.907 389 A CB -0.465 18.563 19.000 0.046 0.000 0.967 389 A HN 0.563 nan 8.150 nan 0.000 0.512 390 G N 0.676 109.520 108.800 0.074 0.000 2.448 390 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.219 390 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.219 390 G C 1.610 176.567 174.900 0.096 0.000 1.127 390 G CA 1.592 46.736 45.100 0.074 0.000 0.766 390 G HN 0.789 nan 8.290 nan 0.000 0.552 391 S N -0.481 115.303 115.700 0.141 0.000 2.517 391 S HA 0.178 4.648 4.470 -0.000 0.000 0.214 391 S C 1.976 176.776 174.600 0.334 0.000 0.991 391 S CA 0.196 58.540 58.200 0.239 0.000 0.906 391 S CB 0.064 63.484 63.200 0.366 0.000 0.789 391 S HN 0.122 nan 8.310 nan 0.000 0.513 392 L N 2.324 123.664 121.223 0.195 0.000 2.131 392 L HA 0.149 4.488 4.340 -0.000 0.000 0.210 392 L C 2.370 179.326 176.870 0.143 0.000 1.092 392 L CA 1.705 56.634 54.840 0.148 0.000 0.759 392 L CB -0.640 41.452 42.059 0.054 0.000 0.903 392 L HN 0.338 nan 8.230 nan 0.000 0.435 393 K N -1.076 119.390 120.400 0.111 0.000 2.097 393 K HA -0.211 4.109 4.320 -0.000 0.000 0.206 393 K C 2.013 178.664 176.600 0.085 0.000 1.049 393 K CA 1.732 58.070 56.287 0.084 0.000 0.933 393 K CB -0.203 32.334 32.500 0.060 0.000 0.717 393 K HN 0.315 nan 8.250 nan 0.000 0.442 394 L N -0.112 121.166 121.223 0.091 0.000 2.034 394 L HA 0.083 4.423 4.340 -0.000 0.000 0.203 394 L C 1.787 178.676 176.870 0.033 0.000 1.074 394 L CA 1.456 56.312 54.840 0.028 0.000 0.748 394 L CB -0.649 41.388 42.059 -0.037 0.000 0.905 394 L HN 0.116 nan 8.230 nan 0.000 0.439 395 F N -0.125 119.830 119.950 0.008 0.000 2.087 395 F HA -0.289 4.238 4.527 -0.000 0.000 0.299 395 F C 2.273 178.097 175.800 0.040 0.000 1.100 395 F CA 2.122 60.123 58.000 0.002 0.000 1.226 395 F CB -0.490 38.491 39.000 -0.032 0.000 0.983 395 F HN 0.055 nan 8.300 nan 0.000 0.479 396 L N -1.483 119.890 121.223 0.250 0.000 2.270 396 L HA -0.046 4.294 4.340 -0.000 0.000 0.210 396 L C 2.545 179.535 176.870 0.199 0.000 1.104 396 L CA 0.692 55.669 54.840 0.229 0.000 0.804 396 L CB -0.768 41.391 42.059 0.166 0.000 0.937 396 L HN 0.107 nan 8.230 nan 0.000 0.450 397 A N -0.280 122.615 122.820 0.126 0.000 1.873 397 A HA -0.218 4.102 4.320 -0.000 0.000 0.215 397 A C 2.141 179.766 177.584 0.068 0.000 1.186 397 A CA 1.313 53.395 52.037 0.076 0.000 0.616 397 A CB -0.367 18.659 19.000 0.043 0.000 0.823 397 A HN 0.438 nan 8.150 nan 0.000 0.442 398 Q N -2.271 117.566 119.800 0.062 0.000 2.472 398 Q HA -0.075 4.265 4.340 -0.000 0.000 0.208 398 Q C 1.565 177.631 176.000 0.110 0.000 0.958 398 Q CA 0.771 56.598 55.803 0.040 0.000 0.932 398 Q CB -0.102 28.617 28.738 -0.032 0.000 1.007 398 Q HN 0.842 nan 8.270 nan 0.000 0.508 399 Y N 0.850 121.164 120.300 0.024 0.000 2.365 399 Y HA 0.001 4.551 4.550 -0.000 0.000 0.293 399 Y C 1.666 177.593 175.900 0.045 0.000 1.119 399 Y CA 1.037 59.160 58.100 0.039 0.000 1.203 399 Y CB 0.236 38.729 38.460 0.056 0.000 1.026 399 Y HN -0.131 nan 8.280 nan 0.000 0.549 400 R N 0.006 120.476 120.500 -0.051 0.000 2.193 400 R HA -0.058 4.282 4.340 -0.000 0.000 0.213 400 R C 1.472 177.724 176.300 -0.081 0.000 1.055 400 R CA 1.256 57.275 56.100 -0.136 0.000 0.995 400 R CB -0.083 30.191 30.300 -0.042 0.000 0.893 400 R HN 0.379 nan 8.270 nan 0.000 0.459 401 E N -0.100 120.093 120.200 -0.012 0.000 2.479 401 E HA 0.006 4.356 4.350 -0.000 0.000 0.193 401 E C 0.570 177.265 176.600 0.158 0.000 1.049 401 E CA 0.098 56.527 56.400 0.049 0.000 0.870 401 E CB 0.799 30.531 29.700 0.053 0.000 0.944 401 E HN 0.043 nan 8.360 nan 0.000 0.492 402 V N -0.790 119.187 119.914 0.106 0.000 3.451 402 V HA 0.202 4.322 4.120 -0.000 0.000 0.288 402 V C 1.684 177.865 176.094 0.145 0.000 1.502 402 V CA 0.663 63.108 62.300 0.242 0.000 1.026 402 V CB 0.775 32.615 31.823 0.028 0.000 0.840 402 V HN 0.230 nan 8.190 nan 0.000 0.437 403 A N 1.120 123.877 122.820 -0.106 0.000 1.940 403 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 403 A C 2.312 179.865 177.584 -0.052 0.000 1.176 403 A CA 2.198 54.108 52.037 -0.212 0.000 0.631 403 A CB -0.442 18.330 19.000 -0.380 0.000 0.814 403 A HN 0.621 nan 8.150 nan 0.000 0.446 404 A N -1.593 121.207 122.820 -0.034 0.000 2.015 404 A HA 0.078 4.398 4.320 -0.000 0.000 0.219 404 A C 1.823 179.360 177.584 -0.078 0.000 1.163 404 A CA 1.066 53.055 52.037 -0.080 0.000 0.646 404 A CB -0.712 18.196 19.000 -0.153 0.000 0.806 404 A HN 0.467 nan 8.150 nan 0.000 0.448 405 F N 0.284 120.209 119.950 -0.041 0.000 2.333 405 F HA -0.079 4.448 4.527 -0.000 0.000 0.300 405 F C 2.501 178.294 175.800 -0.010 0.000 1.083 405 F CA 0.739 58.726 58.000 -0.021 0.000 1.395 405 F CB -0.144 38.847 39.000 -0.015 0.000 1.056 405 F HN 0.265 nan 8.300 nan 0.000 0.529 406 A N -0.891 122.022 122.820 0.154 0.000 2.285 406 A HA -0.114 4.206 4.320 -0.000 0.000 0.214 406 A C 0.858 178.483 177.584 0.069 0.000 1.188 406 A CA 1.114 53.213 52.037 0.103 0.000 0.707 406 A CB -0.585 18.462 19.000 0.077 0.000 0.771 406 A HN 0.386 nan 8.150 nan 0.000 0.488 414 A N -0.413 122.384 122.820 -0.039 0.000 1.935 414 A HA 0.218 4.538 4.320 -0.000 0.000 0.202 414 A C 1.655 179.211 177.584 -0.047 0.000 1.772 414 A CA 1.291 53.307 52.037 -0.036 0.000 1.013 414 A CB -0.725 18.257 19.000 -0.030 0.000 1.077 414 A HN 0.426 nan 8.150 nan 0.000 0.565 415 S N 0.768 116.431 115.700 -0.061 0.000 2.355 415 S HA -0.161 4.309 4.470 -0.000 0.000 0.222 415 S C 1.943 176.491 174.600 -0.088 0.000 1.031 415 S CA 2.262 60.420 58.200 -0.070 0.000 0.993 415 S CB -1.316 61.839 63.200 -0.076 0.000 0.859 415 S HN 0.749 nan 8.310 nan 0.000 0.453 416 T N -0.455 114.023 114.554 -0.127 0.000 2.985 416 T HA 0.179 4.529 4.350 -0.000 0.000 0.266 416 T C 1.678 176.320 174.700 -0.096 0.000 1.076 416 T CA 0.965 62.965 62.100 -0.168 0.000 1.135 416 T CB -0.305 68.351 68.868 -0.355 0.000 0.890 416 T HN 0.445 nan 8.240 nan 0.000 0.480 417 K N 0.737 121.098 120.400 -0.066 0.000 2.217 417 K HA -0.066 4.254 4.320 -0.000 0.000 0.202 417 K C 2.535 179.130 176.600 -0.009 0.000 1.051 417 K CA 0.870 57.144 56.287 -0.021 0.000 0.952 417 K CB -0.111 32.379 32.500 -0.015 0.000 0.736 417 K HN 0.284 nan 8.250 nan 0.000 0.453 418 Q N 0.273 120.060 119.800 -0.021 0.000 2.124 418 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 418 Q C 1.463 177.467 176.000 0.007 0.000 0.977 418 Q CA 2.250 58.044 55.803 -0.014 0.000 0.850 418 Q CB -0.441 28.284 28.738 -0.022 0.000 0.901 418 Q HN 0.207 nan 8.270 nan 0.000 0.429 419 T N 0.824 115.386 114.554 0.014 0.000 2.821 419 T HA -0.026 4.324 4.350 -0.000 0.000 0.267 419 T C 1.634 176.392 174.700 0.097 0.000 1.046 419 T CA 1.182 63.317 62.100 0.058 0.000 1.139 419 T CB -0.147 68.748 68.868 0.045 0.000 0.871 419 T HN 0.231 nan 8.240 nan 0.000 0.454 420 L N 0.664 121.953 121.223 0.111 0.000 2.056 420 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 420 L C 2.656 179.543 176.870 0.028 0.000 1.078 420 L CA 0.815 55.757 54.840 0.170 0.000 0.749 420 L CB -0.859 41.296 42.059 0.159 0.000 0.901 420 L HN 0.131 nan 8.230 nan 0.000 0.433 421 V N -0.085 119.827 119.914 -0.003 0.000 2.231 421 V HA -0.356 3.764 4.120 -0.000 0.000 0.250 421 V C 2.763 178.793 176.094 -0.107 0.000 1.058 421 V CA 1.894 64.166 62.300 -0.047 0.000 1.022 421 V CB -0.681 31.117 31.823 -0.042 0.000 0.640 421 V HN 0.433 nan 8.190 nan 0.000 0.445 422 R N 0.009 120.448 120.500 -0.102 0.000 2.070 422 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 422 R C 2.526 178.655 176.300 -0.286 0.000 1.138 422 R CA 1.706 57.715 56.100 -0.152 0.000 0.936 422 R CB -1.310 28.976 30.300 -0.022 0.000 0.839 422 R HN 0.603 nan 8.270 nan 0.000 0.429 423 G N 1.211 109.746 108.800 -0.441 0.000 2.469 423 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.219 423 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.219 423 G C 1.263 175.553 174.900 -1.016 0.000 1.150 423 G CA 0.861 45.286 45.100 -1.125 0.000 0.763 423 G HN 0.408 nan 8.290 nan 0.000 0.561 424 E N -0.265 119.569 120.200 -0.611 0.000 2.118 424 E HA -0.111 4.239 4.350 -0.000 0.000 0.195 424 E C 2.702 179.190 176.600 -0.187 0.000 0.992 424 E CA 0.732 56.990 56.400 -0.236 0.000 0.804 424 E CB -0.052 29.603 29.700 -0.076 0.000 0.741 424 E HN 0.335 nan 8.360 nan 0.000 0.458 425 R N -0.235 120.135 120.500 -0.217 0.000 2.210 425 R HA 0.099 4.439 4.340 -0.000 0.000 0.203 425 R C 2.206 178.391 176.300 -0.192 0.000 1.010 425 R CA 0.129 56.117 56.100 -0.187 0.000 1.008 425 R CB 0.207 30.387 30.300 -0.201 0.000 0.923 425 R HN 0.114 nan 8.270 nan 0.000 0.469 426 L N -0.487 120.601 121.223 -0.226 0.000 2.072 426 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 426 L C 2.029 178.828 176.870 -0.118 0.000 1.079 426 L CA 1.304 56.033 54.840 -0.185 0.000 0.752 426 L CB -0.446 41.489 42.059 -0.206 0.000 0.906 426 L HN 0.169 nan 8.230 nan 0.000 0.436 427 T N -1.205 113.279 114.554 -0.118 0.000 2.720 427 T HA -0.283 4.067 4.350 -0.000 0.000 0.268 427 T C 1.836 176.516 174.700 -0.032 0.000 1.037 427 T CA 1.454 63.531 62.100 -0.037 0.000 1.144 427 T CB -0.157 68.721 68.868 0.017 0.000 0.864 427 T HN 0.170 nan 8.240 nan 0.000 0.444 428 Q N 0.510 120.277 119.800 -0.056 0.000 2.124 428 Q HA 0.069 4.409 4.340 -0.000 0.000 0.202 428 Q C 2.097 178.076 176.000 -0.035 0.000 0.977 428 Q CA 1.186 56.963 55.803 -0.042 0.000 0.850 428 Q CB -0.603 28.101 28.738 -0.057 0.000 0.901 428 Q HN 0.488 nan 8.270 nan 0.000 0.429 429 L N -0.530 120.662 121.223 -0.053 0.000 2.017 429 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 429 L C 1.790 178.657 176.870 -0.005 0.000 1.073 429 L CA 1.028 55.850 54.840 -0.031 0.000 0.745 429 L CB -0.229 41.796 42.059 -0.057 0.000 0.894 429 L HN 0.316 nan 8.230 nan 0.000 0.432 430 L N -0.600 120.616 121.223 -0.011 0.000 2.622 430 L HA -0.090 4.250 4.340 -0.000 0.000 0.233 430 L C 0.765 177.639 176.870 0.007 0.000 1.156 430 L CA 0.346 55.189 54.840 0.004 0.000 0.866 430 L CB -0.547 41.517 42.059 0.008 0.000 0.980 430 L HN 0.125 nan 8.230 nan 0.000 0.448 431 K N 1.548 121.949 120.400 0.000 0.000 2.379 431 K HA 0.192 4.512 4.320 -0.000 0.000 0.284 431 K C -0.167 176.435 176.600 0.003 0.000 1.044 431 K CA 0.206 56.490 56.287 -0.006 0.000 0.974 431 K CB 0.768 33.260 32.500 -0.014 0.000 0.962 431 K HN 0.067 nan 8.250 nan 0.000 0.474 432 Q N 2.309 122.108 119.800 -0.003 0.000 2.356 432 Q HA 0.202 4.542 4.340 -0.000 0.000 0.270 432 Q C -0.945 175.051 176.000 -0.007 0.000 1.058 432 Q CA -0.875 54.930 55.803 0.004 0.000 0.802 432 Q CB 1.491 30.232 28.738 0.005 0.000 1.303 432 Q HN 0.453 nan 8.270 nan 0.000 0.444 433 N N 2.275 120.979 118.700 0.008 0.000 2.492 433 N HA -0.017 4.723 4.740 -0.000 0.000 0.260 433 N C -0.609 174.891 175.510 -0.017 0.000 1.215 433 N CA 0.280 53.336 53.050 0.011 0.000 0.923 433 N CB 0.865 39.379 38.487 0.044 0.000 1.092 433 N HN 0.589 nan 8.380 nan 0.000 0.448 434 Q N 1.001 120.760 119.800 -0.068 0.000 2.454 434 Q HA -0.046 4.294 4.340 -0.000 0.000 0.247 434 Q C -0.232 175.675 176.000 -0.155 0.000 1.028 434 Q CA 0.019 55.663 55.803 -0.265 0.000 0.910 434 Q CB 0.289 28.710 28.738 -0.528 0.000 1.276 434 Q HN 0.609 nan 8.270 nan 0.000 0.489 435 Y N -0.778 119.519 120.300 -0.005 0.000 4.753 435 Y HA -0.262 4.288 4.550 -0.000 0.000 0.232 435 Y C 0.072 175.982 175.900 0.016 0.000 1.029 435 Y CA 0.922 58.999 58.100 -0.039 0.000 1.996 435 Y CB -1.966 36.505 38.460 0.018 0.000 1.602 435 Y HN 0.333 nan 8.280 nan 0.000 0.621 436 S N 0.702 116.463 115.700 0.101 0.000 2.143 436 S HA 0.364 4.834 4.470 -0.000 0.000 0.188 436 S C -2.390 172.237 174.600 0.045 0.000 1.431 436 S CA -0.986 57.266 58.200 0.086 0.000 1.253 436 S CB 0.770 64.018 63.200 0.079 0.000 1.137 436 S HN -0.005 nan 8.310 nan 0.000 0.457 437 P HA 0.265 nan 4.420 nan 0.000 0.275 437 P C -0.496 176.818 177.300 0.024 0.000 1.227 437 P CA -0.331 62.786 63.100 0.029 0.000 0.781 437 P CB 0.681 32.401 31.700 0.033 0.000 0.906 438 L N 1.305 122.544 121.223 0.026 0.000 2.352 438 L HA 0.674 5.014 4.340 -0.000 0.000 0.269 438 L C 0.678 177.557 176.870 0.015 0.000 1.034 438 L CA -1.188 53.661 54.840 0.016 0.000 0.806 438 L CB 1.369 43.443 42.059 0.024 0.000 1.244 438 L HN 0.362 nan 8.230 nan 0.000 0.447 439 A N 0.486 123.299 122.820 -0.011 0.000 2.322 439 A HA 0.333 4.653 4.320 -0.000 0.000 0.269 439 A C 1.056 178.657 177.584 0.028 0.000 1.094 439 A CA -0.268 51.764 52.037 -0.008 0.000 0.807 439 A CB 0.647 19.610 19.000 -0.062 0.000 1.047 439 A HN 0.859 nan 8.150 nan 0.000 0.487 440 T N 1.363 115.956 114.554 0.064 0.000 2.699 440 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 440 T C 1.533 176.250 174.700 0.028 0.000 1.036 440 T CA 2.423 64.557 62.100 0.057 0.000 1.147 440 T CB -0.367 68.545 68.868 0.074 0.000 0.862 440 T HN 0.832 nan 8.240 nan 0.000 0.446 441 E N 1.422 121.628 120.200 0.009 0.000 2.070 441 E HA -0.173 4.177 4.350 -0.000 0.000 0.197 441 E C 2.224 178.806 176.600 -0.030 0.000 1.004 441 E CA 1.376 57.764 56.400 -0.020 0.000 0.805 441 E CB -0.234 29.442 29.700 -0.039 0.000 0.744 441 E HN 0.635 nan 8.360 nan 0.000 0.451 442 E N 0.525 120.709 120.200 -0.026 0.000 2.347 442 E HA -0.131 4.219 4.350 -0.000 0.000 0.196 442 E C 1.965 178.577 176.600 0.019 0.000 1.008 442 E CA 0.536 56.921 56.400 -0.025 0.000 0.852 442 E CB -0.007 29.678 29.700 -0.025 0.000 0.783 442 E HN 0.377 nan 8.360 nan 0.000 0.505 443 Q N 0.387 120.206 119.800 0.031 0.000 2.250 443 Q HA -0.053 4.286 4.340 -0.000 0.000 0.200 443 Q C 2.581 178.624 176.000 0.072 0.000 0.941 443 Q CA 1.028 56.864 55.803 0.055 0.000 0.872 443 Q CB 0.310 29.077 28.738 0.049 0.000 0.965 443 Q HN 0.277 nan 8.270 nan 0.000 0.480 444 V N -1.364 118.587 119.914 0.060 0.000 2.379 444 V HA -0.044 4.076 4.120 -0.000 0.000 0.245 444 V C -1.030 175.145 176.094 0.134 0.000 1.044 444 V CA 0.880 63.227 62.300 0.078 0.000 1.036 444 V CB -1.885 29.962 31.823 0.041 0.000 0.664 444 V HN 0.137 nan 8.190 nan 0.000 0.453 445 P HA 0.018 nan 4.420 nan 0.000 0.218 445 P C 2.130 179.684 177.300 0.424 0.000 1.152 445 P CA 1.191 64.451 63.100 0.266 0.000 0.826 445 P CB -0.065 31.720 31.700 0.142 0.000 0.790 446 L N -1.067 120.353 121.223 0.328 0.000 2.012 446 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 446 L C 2.459 179.431 176.870 0.171 0.000 1.073 446 L CA 1.588 56.608 54.840 0.300 0.000 0.748 446 L CB -0.734 41.455 42.059 0.218 0.000 0.891 446 L HN -0.097 nan 8.230 nan 0.000 0.431 447 I N -1.872 118.779 120.570 0.135 0.000 2.252 447 I HA -0.322 3.848 4.170 -0.000 0.000 0.245 447 I C 2.484 178.641 176.117 0.066 0.000 1.102 447 I CA 1.064 62.404 61.300 0.067 0.000 1.385 447 I CB -0.295 37.741 38.000 0.060 0.000 1.064 447 I HN 0.207 nan 8.210 nan 0.000 0.414 448 Y N 1.933 122.249 120.300 0.028 0.000 2.081 448 Y HA -0.382 4.168 4.550 -0.000 0.000 0.280 448 Y C 2.532 178.442 175.900 0.017 0.000 1.163 448 Y CA 1.733 59.848 58.100 0.024 0.000 1.135 448 Y CB -0.529 37.959 38.460 0.048 0.000 0.970 448 Y HN 0.142 nan 8.280 nan 0.000 0.498 449 A N -0.013 122.817 122.820 0.017 0.000 1.883 449 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 449 A C 2.498 179.986 177.584 -0.161 0.000 1.186 449 A CA 1.917 53.903 52.037 -0.084 0.000 0.624 449 A CB -1.732 17.225 19.000 -0.071 0.000 0.822 449 A HN 0.619 nan 8.150 nan 0.000 0.444 450 G N -1.087 107.593 108.800 -0.200 0.000 2.422 450 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.218 450 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.218 450 G C 1.442 176.126 174.900 -0.361 0.000 1.140 450 G CA 1.165 46.103 45.100 -0.270 0.000 0.775 450 G HN 0.327 nan 8.290 nan 0.000 0.545 451 V N 1.168 120.860 119.914 -0.370 0.000 2.488 451 V HA -0.038 4.082 4.120 -0.000 0.000 0.246 451 V C 1.669 177.465 176.094 -0.495 0.000 1.046 451 V CA 1.119 63.096 62.300 -0.538 0.000 1.053 451 V CB -0.259 31.355 31.823 -0.348 0.000 0.679 451 V HN 0.368 nan 8.190 nan 0.000 0.458 452 N N 0.389 118.851 118.700 -0.397 0.000 2.346 452 N HA 0.141 4.881 4.740 -0.000 0.000 0.225 452 N C 1.360 176.665 175.510 -0.341 0.000 1.144 452 N CA 0.827 53.679 53.050 -0.330 0.000 0.837 452 N CB 0.770 38.988 38.487 -0.448 0.000 1.069 452 N HN 0.567 nan 8.380 nan 0.000 0.487 453 G N 0.815 109.422 108.800 -0.321 0.000 2.155 453 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.257 453 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.257 453 G C 0.575 175.272 174.900 -0.337 0.000 0.983 453 G CA 0.556 45.471 45.100 -0.308 0.000 0.676 453 G HN 0.538 nan 8.290 nan 0.000 0.528 454 H N -0.707 118.228 119.070 -0.226 0.000 2.502 454 H HA 0.338 4.894 4.556 -0.000 0.000 0.283 454 H C 2.621 177.801 175.328 -0.247 0.000 1.015 454 H CA 1.164 57.100 56.048 -0.186 0.000 1.298 454 H CB 0.080 29.755 29.762 -0.145 0.000 1.411 454 H HN 0.429 nan 8.280 nan 0.000 0.556 455 L N 0.262 121.342 121.223 -0.238 0.000 2.418 455 L HA -0.076 4.264 4.340 -0.000 0.000 0.218 455 L C 1.191 177.907 176.870 -0.257 0.000 1.125 455 L CA 0.310 54.923 54.840 -0.379 0.000 0.835 455 L CB 0.049 41.831 42.059 -0.462 0.000 0.953 455 L HN 0.271 nan 8.230 nan 0.000 0.454 456 D N 0.483 120.763 120.400 -0.199 0.000 2.149 456 D HA -0.175 4.465 4.640 -0.000 0.000 0.198 456 D C 2.096 178.326 176.300 -0.117 0.000 0.990 456 D CA 1.500 55.409 54.000 -0.152 0.000 0.839 456 D CB -0.392 40.326 40.800 -0.137 0.000 0.948 456 D HN 0.311 nan 8.370 nan 0.000 0.460 457 G N -0.407 108.330 108.800 -0.106 0.000 2.598 457 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.215 457 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.215 457 G C 0.570 175.432 174.900 -0.063 0.000 1.131 457 G CA 0.002 45.057 45.100 -0.074 0.000 0.785 457 G HN 0.166 nan 8.290 nan 0.000 0.539 458 I N 1.317 121.837 120.570 -0.084 0.000 2.385 458 I HA 0.217 4.387 4.170 -0.000 0.000 0.294 458 I C 0.259 176.339 176.117 -0.063 0.000 0.988 458 I CA -0.845 60.419 61.300 -0.061 0.000 1.265 458 I CB 1.669 39.632 38.000 -0.061 0.000 1.388 458 I HN 0.209 nan 8.210 nan 0.000 0.480 459 E N 5.056 125.235 120.200 -0.035 0.000 2.392 459 E HA 0.032 4.382 4.350 -0.000 0.000 0.259 459 E C 0.750 177.333 176.600 -0.028 0.000 1.108 459 E CA -0.579 55.803 56.400 -0.030 0.000 0.916 459 E CB 0.864 30.555 29.700 -0.016 0.000 0.989 459 E HN 0.421 nan 8.360 nan 0.000 0.432 460 L N 2.533 123.739 121.223 -0.027 0.000 2.079 460 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 460 L C 2.359 179.221 176.870 -0.014 0.000 1.081 460 L CA 2.490 57.313 54.840 -0.029 0.000 0.752 460 L CB -0.598 41.449 42.059 -0.021 0.000 0.896 460 L HN 0.753 nan 8.230 nan 0.000 0.433 461 S N -2.083 113.617 115.700 0.001 0.000 2.470 461 S HA -0.061 4.408 4.470 -0.000 0.000 0.225 461 S C 2.059 176.678 174.600 0.030 0.000 1.006 461 S CA -0.006 58.201 58.200 0.013 0.000 0.934 461 S CB -0.428 62.781 63.200 0.014 0.000 0.778 461 S HN 0.350 nan 8.310 nan 0.000 0.517 462 R N 0.731 121.252 120.500 0.034 0.000 2.285 462 R HA 0.146 4.486 4.340 -0.000 0.000 0.213 462 R C 1.580 177.949 176.300 0.116 0.000 1.068 462 R CA 0.351 56.493 56.100 0.070 0.000 1.004 462 R CB -0.518 29.821 30.300 0.064 0.000 0.873 462 R HN 0.442 nan 8.270 nan 0.000 0.467 463 I N -0.514 120.092 120.570 0.060 0.000 2.361 463 I HA -0.144 4.026 4.170 -0.000 0.000 0.251 463 I C 2.304 178.499 176.117 0.130 0.000 1.133 463 I CA 1.263 62.592 61.300 0.049 0.000 1.413 463 I CB -1.558 36.411 38.000 -0.051 0.000 1.073 463 I HN 0.151 nan 8.210 nan 0.000 0.424 464 G N 1.600 110.458 108.800 0.097 0.000 2.404 464 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.215 464 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.215 464 G C 1.434 176.414 174.900 0.134 0.000 1.174 464 G CA 0.813 45.972 45.100 0.099 0.000 0.780 464 G HN 0.629 nan 8.290 nan 0.000 0.537 465 E N -0.718 119.563 120.200 0.136 0.000 2.427 465 E HA 0.050 4.400 4.350 -0.000 0.000 0.196 465 E C 1.939 178.654 176.600 0.193 0.000 1.028 465 E CA -0.020 56.461 56.400 0.135 0.000 0.864 465 E CB -0.357 29.403 29.700 0.101 0.000 0.813 465 E HN 0.417 nan 8.360 nan 0.000 0.514 466 F N 2.236 122.246 119.950 0.100 0.000 2.102 466 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 466 F C 2.324 178.221 175.800 0.161 0.000 1.105 466 F CA 2.030 60.119 58.000 0.147 0.000 1.239 466 F CB 0.022 39.064 39.000 0.070 0.000 0.991 466 F HN 0.038 nan 8.300 nan 0.000 0.474 467 E N -0.135 120.287 120.200 0.370 0.000 2.058 467 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 467 E C 2.183 178.861 176.600 0.129 0.000 0.997 467 E CA 1.849 58.403 56.400 0.257 0.000 0.801 467 E CB -0.201 29.615 29.700 0.194 0.000 0.746 467 E HN 0.454 nan 8.360 nan 0.000 0.450 468 S N 0.290 116.051 115.700 0.103 0.000 2.348 468 S HA -0.139 4.331 4.470 -0.000 0.000 0.221 468 S C 2.192 176.813 174.600 0.035 0.000 1.033 468 S CA 1.388 59.625 58.200 0.062 0.000 1.010 468 S CB -0.249 62.992 63.200 0.067 0.000 0.891 468 S HN 0.208 nan 8.310 nan 0.000 0.442 469 S N 0.888 116.622 115.700 0.056 0.000 2.406 469 S HA 0.082 4.552 4.470 -0.000 0.000 0.228 469 S C 1.467 175.959 174.600 -0.180 0.000 1.020 469 S CA 0.592 58.840 58.200 0.079 0.000 0.965 469 S CB -0.325 63.058 63.200 0.304 0.000 0.798 469 S HN 0.479 nan 8.310 nan 0.000 0.488 470 F N 2.147 121.738 119.950 -0.598 0.000 2.293 470 F HA 0.197 4.724 4.527 -0.000 0.000 0.297 470 F C 1.651 177.222 175.800 -0.383 0.000 1.089 470 F CA 0.476 57.928 58.000 -0.915 0.000 1.377 470 F CB -0.389 38.092 39.000 -0.864 0.000 1.051 470 F HN 0.092 nan 8.300 nan 0.000 0.511 471 L N -0.485 120.608 121.223 -0.217 0.000 2.027 471 L HA -0.193 4.147 4.340 -0.000 0.000 0.206 471 L C 2.558 179.313 176.870 -0.192 0.000 1.074 471 L CA 1.611 56.325 54.840 -0.210 0.000 0.745 471 L CB -0.911 41.098 42.059 -0.083 0.000 0.898 471 L HN 0.183 nan 8.230 nan 0.000 0.433 472 S N -1.524 114.104 115.700 -0.119 0.000 2.461 472 S HA -0.202 4.268 4.470 -0.000 0.000 0.228 472 S C 1.862 176.414 174.600 -0.080 0.000 1.005 472 S CA 0.453 58.603 58.200 -0.082 0.000 0.942 472 S CB -0.626 62.557 63.200 -0.029 0.000 0.776 472 S HN 0.450 nan 8.310 nan 0.000 0.514 473 Y N 2.186 122.342 120.300 -0.240 0.000 2.220 473 Y HA 0.179 4.729 4.550 -0.000 0.000 0.291 473 Y C 1.854 177.621 175.900 -0.221 0.000 1.129 473 Y CA 1.066 59.038 58.100 -0.214 0.000 1.161 473 Y CB -0.346 37.924 38.460 -0.316 0.000 0.997 473 Y HN 0.178 nan 8.280 nan 0.000 0.522 474 L N 0.103 121.113 121.223 -0.356 0.000 2.217 474 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 474 L C 2.344 179.051 176.870 -0.272 0.000 1.107 474 L CA 1.209 55.836 54.840 -0.355 0.000 0.783 474 L CB -0.336 41.444 42.059 -0.464 0.000 0.919 474 L HN 0.132 nan 8.230 nan 0.000 0.442 475 K N -0.684 119.572 120.400 -0.239 0.000 2.062 475 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 475 K C 2.232 178.715 176.600 -0.194 0.000 1.051 475 K CA 1.477 57.655 56.287 -0.182 0.000 0.941 475 K CB 0.009 32.425 32.500 -0.139 0.000 0.719 475 K HN 0.171 nan 8.250 nan 0.000 0.440 476 S N 1.013 116.579 115.700 -0.222 0.000 2.414 476 S HA -0.022 4.448 4.470 -0.000 0.000 0.227 476 S C 1.268 175.689 174.600 -0.298 0.000 1.022 476 S CA 1.160 59.232 58.200 -0.212 0.000 0.958 476 S CB -0.057 63.046 63.200 -0.161 0.000 0.797 476 S HN 0.291 nan 8.310 nan 0.000 0.493 477 N N -0.045 118.368 118.700 -0.479 0.000 2.516 477 N HA 0.096 4.836 4.740 -0.000 0.000 0.197 477 N C 0.119 175.174 175.510 -0.759 0.000 1.064 477 N CA 0.577 53.219 53.050 -0.681 0.000 0.866 477 N CB 0.185 38.059 38.487 -1.020 0.000 1.255 477 N HN 0.313 nan 8.380 nan 0.000 0.447 478 H N -0.220 118.658 119.070 -0.321 0.000 2.534 478 H HA 0.301 4.857 4.556 -0.000 0.000 0.250 478 H C 0.256 175.469 175.328 -0.192 0.000 1.256 478 H CA -0.154 55.756 56.048 -0.229 0.000 1.000 478 H CB 0.195 29.818 29.762 -0.232 0.000 1.801 478 H HN 0.136 nan 8.280 nan 0.000 0.569 479 N N 1.011 119.642 118.700 -0.115 0.000 2.381 479 N HA -0.109 4.631 4.740 -0.000 0.000 0.182 479 N C 1.442 176.909 175.510 -0.070 0.000 1.025 479 N CA 0.835 53.824 53.050 -0.101 0.000 0.888 479 N CB 0.358 38.779 38.487 -0.110 0.000 0.965 479 N HN 0.438 nan 8.380 nan 0.000 0.438 480 E N -0.615 119.554 120.200 -0.053 0.000 2.482 480 E HA -0.015 4.335 4.350 -0.000 0.000 0.196 480 E C 1.348 177.927 176.600 -0.035 0.000 1.047 480 E CA 0.157 56.533 56.400 -0.039 0.000 0.869 480 E CB 0.192 29.874 29.700 -0.030 0.000 0.836 480 E HN 0.440 nan 8.360 nan 0.000 0.520 481 L N -0.106 121.094 121.223 -0.037 0.000 2.071 481 L HA -0.085 4.255 4.340 -0.000 0.000 0.201 481 L C 2.258 179.089 176.870 -0.064 0.000 1.076 481 L CA 0.625 55.431 54.840 -0.056 0.000 0.755 481 L CB -0.401 41.612 42.059 -0.077 0.000 0.915 481 L HN 0.163 nan 8.230 nan 0.000 0.445 482 L N -0.311 120.866 121.223 -0.076 0.000 2.043 482 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 482 L C 2.655 179.490 176.870 -0.057 0.000 1.075 482 L CA 1.663 56.457 54.840 -0.076 0.000 0.752 482 L CB -0.906 41.096 42.059 -0.095 0.000 0.891 482 L HN 0.292 nan 8.230 nan 0.000 0.432 483 T N -1.167 113.355 114.554 -0.054 0.000 2.708 483 T HA -0.256 4.093 4.350 -0.000 0.000 0.266 483 T C 1.819 176.500 174.700 -0.031 0.000 1.037 483 T CA 1.689 63.764 62.100 -0.043 0.000 1.146 483 T CB -0.112 68.730 68.868 -0.043 0.000 0.865 483 T HN 0.380 nan 8.240 nan 0.000 0.435 484 E N 0.351 120.532 120.200 -0.032 0.000 2.077 484 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 484 E C 2.091 178.678 176.600 -0.021 0.000 0.989 484 E CA 0.957 57.342 56.400 -0.025 0.000 0.800 484 E CB -0.207 29.476 29.700 -0.029 0.000 0.746 484 E HN 0.518 nan 8.360 nan 0.000 0.452 485 I N 0.443 120.997 120.570 -0.027 0.000 2.179 485 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 485 I C 2.823 178.939 176.117 -0.001 0.000 1.088 485 I CA 1.257 62.546 61.300 -0.018 0.000 1.357 485 I CB -0.413 37.570 38.000 -0.027 0.000 1.051 485 I HN 0.084 nan 8.210 nan 0.000 0.409 486 R N 1.273 121.772 120.500 -0.002 0.000 2.083 486 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 486 R C 2.210 178.527 176.300 0.029 0.000 1.137 486 R CA 1.853 57.964 56.100 0.018 0.000 0.951 486 R CB -0.149 30.148 30.300 -0.005 0.000 0.851 486 R HN 0.403 nan 8.270 nan 0.000 0.434 487 E N -0.254 119.953 120.200 0.012 0.000 2.106 487 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 487 E C 1.957 178.567 176.600 0.016 0.000 0.984 487 E CA 1.217 57.625 56.400 0.015 0.000 0.806 487 E CB 0.179 29.881 29.700 0.003 0.000 0.750 487 E HN 0.366 nan 8.360 nan 0.000 0.458 488 K N -0.982 119.424 120.400 0.009 0.000 2.190 488 K HA 0.088 4.408 4.320 -0.000 0.000 0.202 488 K C 1.017 177.623 176.600 0.010 0.000 1.045 488 K CA 0.636 56.927 56.287 0.008 0.000 0.976 488 K CB 0.571 33.071 32.500 0.001 0.000 0.849 488 K HN 0.177 nan 8.250 nan 0.000 0.468 489 G N 2.595 111.401 108.800 0.011 0.000 2.256 489 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.272 489 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.272 489 G C -0.503 174.401 174.900 0.007 0.000 1.076 489 G CA 0.243 45.350 45.100 0.012 0.000 0.882 489 G HN 0.260 nan 8.290 nan 0.000 0.497 490 E N -1.061 119.140 120.200 0.003 0.000 2.381 490 E HA 0.297 4.647 4.350 -0.000 0.000 0.286 490 E C -0.601 175.996 176.600 -0.005 0.000 0.960 490 E CA -0.764 55.637 56.400 0.002 0.000 0.793 490 E CB 1.419 31.121 29.700 0.003 0.000 1.225 490 E HN 0.186 nan 8.360 nan 0.000 0.420 491 L N 2.988 124.208 121.223 -0.004 0.000 2.417 491 L HA 0.195 4.535 4.340 -0.000 0.000 0.258 491 L C 0.535 177.399 176.870 -0.010 0.000 1.088 491 L CA -0.461 54.369 54.840 -0.016 0.000 0.975 491 L CB 0.619 42.666 42.059 -0.020 0.000 1.341 491 L HN 0.411 nan 8.230 nan 0.000 0.431 492 S N 0.123 115.816 115.700 -0.012 0.000 2.563 492 S HA 0.029 4.499 4.470 -0.000 0.000 0.284 492 S C 1.198 175.791 174.600 -0.011 0.000 1.331 492 S CA -0.563 57.633 58.200 -0.007 0.000 1.047 492 S CB 1.279 64.475 63.200 -0.008 0.000 0.859 492 S HN 0.499 nan 8.310 nan 0.000 0.514 493 K N 1.702 122.101 120.400 -0.001 0.000 2.144 493 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 493 K C 1.917 178.512 176.600 -0.008 0.000 1.047 493 K CA 2.202 58.490 56.287 0.002 0.000 0.927 493 K CB -0.345 32.161 32.500 0.011 0.000 0.716 493 K HN 0.791 nan 8.250 nan 0.000 0.454 494 E N -0.207 119.987 120.200 -0.011 0.000 2.150 494 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 494 E C 1.747 178.327 176.600 -0.034 0.000 0.985 494 E CA 0.788 57.179 56.400 -0.016 0.000 0.814 494 E CB -0.010 29.684 29.700 -0.011 0.000 0.752 494 E HN 0.221 nan 8.360 nan 0.000 0.466 495 L N -0.184 121.012 121.223 -0.045 0.000 2.095 495 L HA -0.049 4.291 4.340 -0.000 0.000 0.204 495 L C 2.183 178.981 176.870 -0.119 0.000 1.080 495 L CA 0.566 55.362 54.840 -0.073 0.000 0.759 495 L CB -0.081 41.938 42.059 -0.067 0.000 0.914 495 L HN 0.167 nan 8.230 nan 0.000 0.439 496 L N -0.799 120.361 121.223 -0.105 0.000 2.201 496 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 496 L C 2.525 179.329 176.870 -0.109 0.000 1.105 496 L CA 1.062 55.813 54.840 -0.149 0.000 0.775 496 L CB -0.177 41.852 42.059 -0.050 0.000 0.913 496 L HN 0.229 nan 8.230 nan 0.000 0.440 497 A N -1.846 120.944 122.820 -0.050 0.000 1.930 497 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 497 A C 2.389 179.951 177.584 -0.037 0.000 1.176 497 A CA 1.599 53.627 52.037 -0.015 0.000 0.632 497 A CB -0.385 18.617 19.000 0.002 0.000 0.819 497 A HN 0.377 nan 8.150 nan 0.000 0.445 498 S N -0.713 114.946 115.700 -0.070 0.000 2.414 498 S HA -0.020 4.450 4.470 -0.000 0.000 0.227 498 S C 1.735 176.250 174.600 -0.141 0.000 1.022 498 S CA 0.963 59.111 58.200 -0.086 0.000 0.958 498 S CB -0.200 62.954 63.200 -0.077 0.000 0.797 498 S HN 0.429 nan 8.310 nan 0.000 0.493 499 L N 2.016 123.115 121.223 -0.206 0.000 2.156 499 L HA 0.101 4.441 4.340 -0.000 0.000 0.208 499 L C 2.082 178.814 176.870 -0.230 0.000 1.095 499 L CA 1.628 56.287 54.840 -0.302 0.000 0.770 499 L CB -0.401 41.327 42.059 -0.552 0.000 0.914 499 L HN 0.103 nan 8.230 nan 0.000 0.439 500 K N -0.700 119.619 120.400 -0.135 0.000 1.973 500 K HA -0.187 4.133 4.320 -0.000 0.000 0.212 500 K C 2.249 178.892 176.600 0.072 0.000 1.047 500 K CA 1.864 58.229 56.287 0.130 0.000 0.937 500 K CB -0.241 32.370 32.500 0.185 0.000 0.721 500 K HN 0.533 nan 8.250 nan 0.000 0.440 501 S N 0.388 116.109 115.700 0.035 0.000 2.383 501 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 501 S C 2.142 176.766 174.600 0.039 0.000 1.030 501 S CA 1.218 59.443 58.200 0.042 0.000 1.002 501 S CB -0.378 62.837 63.200 0.025 0.000 0.829 501 S HN 0.404 nan 8.310 nan 0.000 0.467 502 A N 1.368 124.173 122.820 -0.025 0.000 2.014 502 A HA 0.083 4.403 4.320 -0.000 0.000 0.218 502 A C 2.330 180.044 177.584 0.217 0.000 1.163 502 A CA 1.581 53.602 52.037 -0.027 0.000 0.652 502 A CB -1.252 17.520 19.000 -0.379 0.000 0.808 502 A HN 0.574 nan 8.150 nan 0.000 0.449 503 T N 0.034 114.691 114.554 0.173 0.000 2.737 503 T HA -0.101 4.249 4.350 -0.000 0.000 0.265 503 T C 1.753 176.503 174.700 0.084 0.000 1.038 503 T CA 1.704 63.882 62.100 0.129 0.000 1.144 503 T CB -0.205 68.594 68.868 -0.114 0.000 0.866 503 T HN 0.603 nan 8.240 nan 0.000 0.434 504 E N 0.994 121.238 120.200 0.073 0.000 2.110 504 E HA -0.066 4.284 4.350 -0.000 0.000 0.193 504 E C 2.420 179.086 176.600 0.111 0.000 0.988 504 E CA 0.868 57.338 56.400 0.117 0.000 0.804 504 E CB -0.209 29.567 29.700 0.128 0.000 0.745 504 E HN 0.239 nan 8.360 nan 0.000 0.458 505 S N -0.932 114.856 115.700 0.146 0.000 2.402 505 S HA -0.114 4.356 4.470 -0.000 0.000 0.229 505 S C 1.469 176.135 174.600 0.110 0.000 1.021 505 S CA 0.743 59.042 58.200 0.165 0.000 0.974 505 S CB -0.149 63.215 63.200 0.274 0.000 0.800 505 S HN 0.308 nan 8.310 nan 0.000 0.484 506 F N 1.145 121.044 119.950 -0.084 0.000 2.262 506 F HA 0.163 4.690 4.527 -0.000 0.000 0.292 506 F C 1.949 177.643 175.800 -0.177 0.000 1.081 506 F CA 0.646 58.469 58.000 -0.294 0.000 1.355 506 F CB -0.275 38.508 39.000 -0.362 0.000 1.069 506 F HN -0.027 nan 8.300 nan 0.000 0.506 507 V N 0.557 120.460 119.914 -0.019 0.000 2.626 507 V HA -0.248 3.872 4.120 -0.000 0.000 0.252 507 V C 2.676 178.723 176.094 -0.078 0.000 1.067 507 V CA 1.386 63.678 62.300 -0.014 0.000 1.081 507 V CB -1.491 30.404 31.823 0.119 0.000 0.686 507 V HN 0.433 nan 8.190 nan 0.000 0.468 508 A N -0.353 122.428 122.820 -0.066 0.000 1.948 508 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 508 A C 1.638 179.149 177.584 -0.121 0.000 1.177 508 A CA 2.157 54.156 52.037 -0.063 0.000 0.636 508 A CB -0.549 18.434 19.000 -0.028 0.000 0.815 508 A HN 0.541 nan 8.150 nan 0.000 0.449 509 T N 0.000 114.414 114.554 -0.234 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 509 T CA 0.000 61.929 62.100 -0.284 0.000 1.349 509 T CB 0.000 68.653 68.868 -0.358 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658