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 1kzp_1_B DATA FIRST_RESID 17 DATA SEQUENCE PVWSEPLYSL RPEHARERLQ DDSVETVTSI EQAKVEEKIQ EVFSSYKFNH DATA SEQUENCE LVPRLVLQRE KHFHYLKRGL RQLTDAYECL DASRPWLCYW ILHSLELLDE DATA SEQUENCE PIPQIVATDV CQFLELCQSP DGGFGGGPGQ YPHLAPTYAA VNALCIIGTE DATA SEQUENCE EAYNVINREK LLQYLYSLKQ PDGSFLMHVG GEVDVRSAYC AASVASLTNI DATA SEQUENCE ITPDLFEGTA EWIARCQNWE GGIGGVPGME AHGGYTFCGL AALVILKKER DATA SEQUENCE SLNLKSLLQW VTSRQMRFEG GFQGRCNKLV DGCYSFWQAG LLPLLHRALH DATA SEQUENCE AQGDPALSMS HWMFHQQALQ EYILMCCQCP AGGLLDKPGK SRDFYHTCYC DATA SEQUENCE LSGLSIAQHF GSGAMLHDVV MGVPENVLQP THPVYNIGPD KVIQATTHFL DATA SEQUENCE QKPVPGF 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 17 P HA 0.000 nan 4.420 nan 0.000 0.216 17 P C 0.000 176.969 177.300 -0.551 0.000 1.155 17 P CA 0.000 62.764 63.100 -0.559 0.000 0.800 17 P CB 0.000 31.082 31.700 -1.030 0.000 0.726 18 V N 0.581 120.240 119.914 -0.423 0.000 2.591 18 V HA -0.021 4.099 4.120 -0.000 0.000 0.249 18 V C 1.197 177.186 176.094 -0.175 0.000 1.053 18 V CA 1.554 63.726 62.300 -0.213 0.000 1.068 18 V CB -0.440 31.355 31.823 -0.046 0.000 0.689 18 V HN 0.626 nan 8.190 nan 0.000 0.462 19 W N -0.249 121.046 121.300 -0.007 0.000 2.937 19 W HA 0.280 4.940 4.660 -0.000 0.000 0.245 19 W C 0.618 177.129 176.519 -0.013 0.000 1.306 19 W CA 0.018 57.359 57.345 -0.007 0.000 1.470 19 W CB -1.236 28.221 29.460 -0.004 0.000 1.132 19 W HN 0.254 nan 8.180 nan 0.000 0.675 20 S N 2.296 117.657 115.700 -0.565 0.000 2.488 20 S HA 0.079 4.549 4.470 -0.000 0.000 0.278 20 S C -0.170 174.327 174.600 -0.171 0.000 1.259 20 S CA 0.111 58.050 58.200 -0.434 0.000 1.061 20 S CB 1.044 63.858 63.200 -0.643 0.000 0.910 20 S HN 0.097 nan 8.310 nan 0.000 0.491 21 E N 4.829 124.989 120.200 -0.067 0.000 2.089 21 E HA 0.249 4.599 4.350 -0.000 0.000 0.284 21 E C -1.487 175.066 176.600 -0.079 0.000 1.023 21 E CA -2.186 54.175 56.400 -0.065 0.000 0.819 21 E CB 0.800 30.475 29.700 -0.042 0.000 1.076 21 E HN 0.238 nan 8.360 nan 0.000 0.396 22 P HA -0.046 nan 4.420 nan 0.000 0.229 22 P C -0.075 177.189 177.300 -0.060 0.000 1.160 22 P CA 0.474 63.530 63.100 -0.074 0.000 0.777 22 P CB 0.383 32.033 31.700 -0.083 0.000 0.814 23 L N 0.299 121.462 121.223 -0.099 0.000 2.261 23 L HA 0.185 4.525 4.340 -0.000 0.000 0.289 23 L C 1.847 178.637 176.870 -0.135 0.000 1.059 23 L CA -0.760 54.006 54.840 -0.122 0.000 0.816 23 L CB 0.450 42.388 42.059 -0.201 0.000 1.191 23 L HN -0.147 nan 8.230 nan 0.000 0.431 24 Y N 2.874 123.046 120.300 -0.213 0.000 2.181 24 Y HA -0.344 4.206 4.550 -0.000 0.000 0.284 24 Y C 2.313 177.922 175.900 -0.484 0.000 1.179 24 Y CA 2.204 60.166 58.100 -0.229 0.000 1.179 24 Y CB 0.281 38.653 38.460 -0.146 0.000 0.973 24 Y HN 0.653 nan 8.280 nan 0.000 0.519 25 S N -0.061 115.209 115.700 -0.718 0.000 2.489 25 S HA -0.008 4.462 4.470 -0.000 0.000 0.228 25 S C 1.600 175.431 174.600 -1.283 0.000 0.995 25 S CA 1.099 58.316 58.200 -1.639 0.000 0.934 25 S CB -0.156 61.804 63.200 -2.066 0.000 0.771 25 S HN 0.475 nan 8.310 nan 0.000 0.522 26 L N 0.360 121.178 121.223 -0.676 0.000 2.616 26 L HA 0.234 4.574 4.340 -0.000 0.000 0.229 26 L C 0.626 177.372 176.870 -0.206 0.000 1.110 26 L CA -0.056 54.565 54.840 -0.366 0.000 0.884 26 L CB -0.131 41.776 42.059 -0.253 0.000 1.115 26 L HN 0.066 nan 8.230 nan 0.000 0.481 27 R N 1.152 121.520 120.500 -0.220 0.000 2.623 27 R HA 0.018 4.358 4.340 -0.000 0.000 0.271 27 R C -1.394 174.886 176.300 -0.034 0.000 1.043 27 R CA -1.246 54.795 56.100 -0.097 0.000 1.083 27 R CB 0.074 30.308 30.300 -0.110 0.000 0.974 27 R HN -0.164 nan 8.270 nan 0.000 0.436 28 P HA -0.198 nan 4.420 nan 0.000 0.216 28 P C 0.247 177.565 177.300 0.030 0.000 1.153 28 P CA 1.347 64.467 63.100 0.032 0.000 0.858 28 P CB 0.267 31.989 31.700 0.037 0.000 0.789 29 E N -2.180 118.026 120.200 0.009 0.000 2.268 29 E HA -0.204 4.145 4.350 -0.000 0.000 0.195 29 E C 1.829 178.413 176.600 -0.027 0.000 0.995 29 E CA 0.856 57.250 56.400 -0.009 0.000 0.836 29 E CB -1.202 28.487 29.700 -0.019 0.000 0.763 29 E HN 0.446 nan 8.360 nan 0.000 0.491 30 H N 0.627 119.610 119.070 -0.146 0.000 2.457 30 H HA -0.027 4.529 4.556 -0.000 0.000 0.297 30 H C 1.856 177.208 175.328 0.040 0.000 1.092 30 H CA 1.475 57.417 56.048 -0.176 0.000 1.309 30 H CB -0.087 29.481 29.762 -0.323 0.000 1.382 30 H HN 0.224 nan 8.280 nan 0.000 0.535 31 A N 0.530 123.421 122.820 0.119 0.000 2.070 31 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 31 A C 2.287 179.887 177.584 0.027 0.000 1.159 31 A CA 1.195 53.312 52.037 0.133 0.000 0.656 31 A CB -0.355 18.710 19.000 0.109 0.000 0.800 31 A HN 0.459 nan 8.150 nan 0.000 0.453 32 R N -0.284 120.206 120.500 -0.017 0.000 2.237 32 R HA -0.047 4.293 4.340 -0.000 0.000 0.219 32 R C 0.786 177.053 176.300 -0.055 0.000 1.080 32 R CA 0.873 56.952 56.100 -0.036 0.000 0.995 32 R CB -0.025 30.255 30.300 -0.033 0.000 0.875 32 R HN 0.443 nan 8.270 nan 0.000 0.462 33 E N 0.625 120.773 120.200 -0.086 0.000 2.511 33 E HA -0.004 4.346 4.350 -0.000 0.000 0.196 33 E C 0.268 176.858 176.600 -0.017 0.000 1.066 33 E CA 0.258 56.615 56.400 -0.070 0.000 0.871 33 E CB 0.066 29.640 29.700 -0.210 0.000 0.863 33 E HN 0.091 nan 8.360 nan 0.000 0.520 34 R N 0.849 121.287 120.500 -0.102 0.000 2.694 34 R HA 0.076 4.416 4.340 -0.000 0.000 0.268 34 R C 0.530 176.739 176.300 -0.152 0.000 1.061 34 R CA -0.619 55.321 56.100 -0.267 0.000 1.133 34 R CB 0.147 30.267 30.300 -0.299 0.000 1.020 34 R HN 0.064 nan 8.270 nan 0.000 0.475 35 L N 2.178 123.304 121.223 -0.162 0.000 2.525 35 L HA -0.058 4.282 4.340 -0.000 0.000 0.278 35 L C -0.127 176.700 176.870 -0.073 0.000 1.218 35 L CA 1.092 55.876 54.840 -0.093 0.000 0.878 35 L CB 0.283 42.291 42.059 -0.086 0.000 1.127 35 L HN 0.414 nan 8.230 nan 0.000 0.492 36 Q N 3.565 123.336 119.800 -0.048 0.000 2.394 36 Q HA 0.180 4.520 4.340 -0.000 0.000 0.259 36 Q C -0.236 175.748 176.000 -0.026 0.000 1.021 36 Q CA -0.378 55.404 55.803 -0.036 0.000 0.805 36 Q CB 1.049 29.770 28.738 -0.028 0.000 1.226 36 Q HN 0.729 nan 8.270 nan 0.000 0.476 37 D N 1.796 122.180 120.400 -0.026 0.000 2.328 37 D HA -0.098 4.542 4.640 -0.000 0.000 0.226 37 D C -0.356 175.937 176.300 -0.012 0.000 1.066 37 D CA 0.000 53.989 54.000 -0.018 0.000 0.861 37 D CB 0.210 40.998 40.800 -0.020 0.000 0.912 37 D HN 0.440 nan 8.370 nan 0.000 0.521 38 D N -0.005 120.388 120.400 -0.012 0.000 2.882 38 D HA -0.243 4.397 4.640 -0.000 0.000 0.229 38 D C -0.098 176.198 176.300 -0.007 0.000 1.167 38 D CA 1.138 55.133 54.000 -0.008 0.000 0.759 38 D CB -1.802 38.996 40.800 -0.004 0.000 1.088 38 D HN 0.286 nan 8.370 nan 0.000 0.425 39 S N -2.874 112.820 115.700 -0.009 0.000 3.358 39 S HA -0.232 4.238 4.470 -0.000 0.000 0.309 39 S C 0.316 174.913 174.600 -0.005 0.000 1.247 39 S CA 0.936 59.132 58.200 -0.008 0.000 0.961 39 S CB -0.880 62.316 63.200 -0.007 0.000 1.074 39 S HN 0.384 nan 8.310 nan 0.000 0.625 40 V N 2.137 122.049 119.914 -0.004 0.000 2.293 40 V HA 0.272 4.392 4.120 -0.000 0.000 0.275 40 V C 0.345 176.438 176.094 -0.002 0.000 1.021 40 V CA -0.510 61.789 62.300 -0.002 0.000 0.815 40 V CB 1.325 33.148 31.823 0.001 0.000 1.025 40 V HN 0.320 nan 8.190 nan 0.000 0.448 41 E N 3.429 123.628 120.200 -0.002 0.000 2.200 41 E HA 0.565 4.915 4.350 -0.000 0.000 0.283 41 E C 0.029 176.630 176.600 0.002 0.000 1.015 41 E CA -0.281 56.118 56.400 -0.002 0.000 0.819 41 E CB 1.770 31.468 29.700 -0.003 0.000 1.081 41 E HN 0.774 nan 8.360 nan 0.000 0.397 42 T N -1.963 112.594 114.554 0.004 0.000 2.865 42 T HA 0.207 4.557 4.350 -0.000 0.000 0.294 42 T C 1.052 175.757 174.700 0.009 0.000 1.119 42 T CA -0.830 61.275 62.100 0.008 0.000 1.007 42 T CB 1.141 70.016 68.868 0.012 0.000 1.225 42 T HN 0.105 nan 8.240 nan 0.000 0.515 43 V N 1.286 121.207 119.914 0.013 0.000 2.317 43 V HA -0.230 3.890 4.120 -0.000 0.000 0.251 43 V C 2.915 179.018 176.094 0.015 0.000 1.065 43 V CA 2.867 65.175 62.300 0.014 0.000 1.049 43 V CB -1.401 30.433 31.823 0.019 0.000 0.651 43 V HN 1.122 nan 8.190 nan 0.000 0.450 44 T N 0.426 114.991 114.554 0.017 0.000 2.652 44 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 44 T C 2.095 176.800 174.700 0.009 0.000 1.039 44 T CA 2.175 64.286 62.100 0.017 0.000 1.153 44 T CB -0.443 68.438 68.868 0.021 0.000 0.863 44 T HN 0.765 nan 8.240 nan 0.000 0.428 45 S N 1.363 117.066 115.700 0.004 0.000 2.383 45 S HA -0.015 4.455 4.470 -0.000 0.000 0.227 45 S C 2.121 176.716 174.600 -0.009 0.000 1.026 45 S CA 0.768 58.965 58.200 -0.005 0.000 0.981 45 S CB -0.809 62.387 63.200 -0.007 0.000 0.818 45 S HN 0.482 nan 8.310 nan 0.000 0.472 46 I N 1.814 122.381 120.570 -0.004 0.000 2.179 46 I HA -0.149 4.020 4.170 -0.000 0.000 0.242 46 I C 2.897 179.012 176.117 -0.003 0.000 1.088 46 I CA 1.529 62.827 61.300 -0.005 0.000 1.357 46 I CB -0.368 37.632 38.000 -0.000 0.000 1.051 46 I HN 0.255 nan 8.210 nan 0.000 0.409 47 E N 0.284 120.486 120.200 0.004 0.000 2.106 47 E HA -0.265 4.085 4.350 -0.000 0.000 0.192 47 E C 1.997 178.601 176.600 0.007 0.000 0.984 47 E CA 1.134 57.539 56.400 0.009 0.000 0.806 47 E CB -0.325 29.385 29.700 0.017 0.000 0.750 47 E HN 0.422 nan 8.360 nan 0.000 0.458 48 Q N 0.866 120.667 119.800 0.001 0.000 2.084 48 Q HA -0.035 4.305 4.340 -0.000 0.000 0.202 48 Q C 1.965 177.954 176.000 -0.018 0.000 0.978 48 Q CA 1.964 57.765 55.803 -0.003 0.000 0.844 48 Q CB -0.460 28.272 28.738 -0.009 0.000 0.898 48 Q HN 0.187 nan 8.270 nan 0.000 0.426 49 A N 0.588 123.389 122.820 -0.031 0.000 1.902 49 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 49 A C 2.010 179.570 177.584 -0.040 0.000 1.181 49 A CA 1.778 53.784 52.037 -0.053 0.000 0.623 49 A CB -0.494 18.478 19.000 -0.047 0.000 0.818 49 A HN 0.426 nan 8.150 nan 0.000 0.443 50 K N -0.536 119.854 120.400 -0.018 0.000 2.032 50 K HA -0.095 4.225 4.320 -0.000 0.000 0.209 50 K C 1.882 178.483 176.600 0.003 0.000 1.048 50 K CA 1.503 57.786 56.287 -0.007 0.000 0.927 50 K CB -0.404 32.097 32.500 0.000 0.000 0.712 50 K HN 0.305 nan 8.250 nan 0.000 0.441 51 V N 1.866 121.789 119.914 0.014 0.000 2.343 51 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 51 V C 1.985 178.115 176.094 0.059 0.000 1.051 51 V CA 1.757 64.081 62.300 0.039 0.000 1.036 51 V CB -0.396 31.459 31.823 0.054 0.000 0.654 51 V HN 0.337 nan 8.190 nan 0.000 0.451 52 E N -0.431 119.787 120.200 0.030 0.000 2.153 52 E HA -0.246 4.103 4.350 -0.000 0.000 0.194 52 E C 2.261 178.853 176.600 -0.012 0.000 0.988 52 E CA 1.133 57.536 56.400 0.006 0.000 0.811 52 E CB -0.081 29.460 29.700 -0.266 0.000 0.746 52 E HN 0.634 nan 8.360 nan 0.000 0.466 53 E N 0.983 121.163 120.200 -0.032 0.000 2.072 53 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 53 E C 1.980 178.596 176.600 0.027 0.000 0.985 53 E CA 0.886 57.281 56.400 -0.009 0.000 0.801 53 E CB 0.172 29.863 29.700 -0.015 0.000 0.750 53 E HN -0.095 nan 8.360 nan 0.000 0.452 54 K N 0.809 121.220 120.400 0.019 0.000 2.057 54 K HA -0.086 4.234 4.320 -0.000 0.000 0.206 54 K C 1.922 178.505 176.600 -0.027 0.000 1.050 54 K CA 0.877 57.166 56.287 0.002 0.000 0.935 54 K CB -0.209 32.291 32.500 -0.001 0.000 0.715 54 K HN 0.113 nan 8.250 nan 0.000 0.439 55 I N 0.922 121.485 120.570 -0.010 0.000 2.315 55 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 55 I C 2.207 178.152 176.117 -0.287 0.000 1.117 55 I CA 1.158 62.349 61.300 -0.181 0.000 1.404 55 I CB -1.158 36.805 38.000 -0.062 0.000 1.071 55 I HN 0.321 nan 8.210 nan 0.000 0.419 56 Q N 1.642 121.516 119.800 0.124 0.000 2.096 56 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 56 Q C 2.028 178.088 176.000 0.100 0.000 0.982 56 Q CA 1.819 57.792 55.803 0.283 0.000 0.850 56 Q CB -0.188 28.742 28.738 0.321 0.000 0.901 56 Q HN 0.498 nan 8.270 nan 0.000 0.422 57 E N -0.992 119.234 120.200 0.042 0.000 2.085 57 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 57 E C 1.971 178.542 176.600 -0.048 0.000 0.994 57 E CA 1.534 57.949 56.400 0.026 0.000 0.801 57 E CB -0.081 29.637 29.700 0.030 0.000 0.743 57 E HN 0.207 nan 8.360 nan 0.000 0.453 58 V N 0.803 120.648 119.914 -0.114 0.000 2.295 58 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 58 V C 1.985 178.081 176.094 0.004 0.000 1.049 58 V CA 1.768 63.988 62.300 -0.135 0.000 1.024 58 V CB -0.606 31.088 31.823 -0.213 0.000 0.648 58 V HN 0.280 nan 8.190 nan 0.000 0.447 59 F N 0.532 120.484 119.950 0.003 0.000 2.069 59 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 59 F C 2.622 178.410 175.800 -0.019 0.000 1.113 59 F CA 1.420 59.427 58.000 0.012 0.000 1.214 59 F CB -0.396 38.579 39.000 -0.042 0.000 0.978 59 F HN 0.109 nan 8.300 nan 0.000 0.474 60 S N -0.156 115.565 115.700 0.034 0.000 2.555 60 S HA -0.134 4.336 4.470 -0.000 0.000 0.230 60 S C 2.035 176.347 174.600 -0.479 0.000 0.978 60 S CA 0.821 58.809 58.200 -0.353 0.000 0.934 60 S CB -0.451 62.315 63.200 -0.723 0.000 0.766 60 S HN 0.463 nan 8.310 nan 0.000 0.533 61 S N 1.514 117.058 115.700 -0.260 0.000 2.374 61 S HA -0.244 4.226 4.470 -0.000 0.000 0.227 61 S C 1.597 176.034 174.600 -0.272 0.000 1.037 61 S CA 1.298 59.329 58.200 -0.283 0.000 1.024 61 S CB -0.971 62.005 63.200 -0.373 0.000 0.861 61 S HN 0.597 nan 8.310 nan 0.000 0.456 62 Y N 2.416 122.654 120.300 -0.104 0.000 2.181 62 Y HA -0.017 4.533 4.550 -0.000 0.000 0.288 62 Y C 2.721 178.564 175.900 -0.095 0.000 1.146 62 Y CA 1.386 59.442 58.100 -0.074 0.000 1.164 62 Y CB -0.453 37.975 38.460 -0.052 0.000 0.982 62 Y HN 0.314 nan 8.280 nan 0.000 0.515 63 K N 0.426 120.833 120.400 0.012 0.000 2.026 63 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 63 K C 1.814 178.384 176.600 -0.049 0.000 1.048 63 K CA 1.672 57.936 56.287 -0.038 0.000 0.929 63 K CB -0.572 31.843 32.500 -0.142 0.000 0.713 63 K HN 0.351 nan 8.250 nan 0.000 0.439 64 F N 1.001 120.861 119.950 -0.150 0.000 2.365 64 F HA -0.079 4.448 4.527 -0.000 0.000 0.300 64 F C 1.831 177.316 175.800 -0.526 0.000 1.090 64 F CA -0.023 57.815 58.000 -0.269 0.000 1.408 64 F CB 0.032 38.956 39.000 -0.126 0.000 1.060 64 F HN 0.157 nan 8.300 nan 0.000 0.534 65 N N -1.177 117.392 118.700 -0.218 0.000 2.373 65 N HA -0.064 4.676 4.740 -0.000 0.000 0.181 65 N C -0.322 175.088 175.510 -0.165 0.000 1.082 65 N CA 0.535 53.469 53.050 -0.194 0.000 0.885 65 N CB -0.191 38.254 38.487 -0.069 0.000 0.977 65 N HN 0.240 nan 8.380 nan 0.000 0.462 66 H N -0.443 118.695 119.070 0.114 0.000 2.904 66 H HA -0.116 4.439 4.556 -0.000 0.000 0.333 66 H C -0.584 174.794 175.328 0.083 0.000 1.271 66 H CA 0.511 56.616 56.048 0.094 0.000 1.183 66 H CB -2.140 27.668 29.762 0.077 0.000 1.519 66 H HN 0.205 nan 8.280 nan 0.000 0.441 67 L N -0.428 120.889 121.223 0.157 0.000 2.393 67 L HA 0.544 4.884 4.340 -0.000 0.000 0.260 67 L C 0.486 177.438 176.870 0.136 0.000 1.002 67 L CA -1.318 53.608 54.840 0.143 0.000 0.818 67 L CB 2.703 44.852 42.059 0.150 0.000 1.369 67 L HN 0.083 nan 8.230 nan 0.000 0.412 68 V N 2.491 122.453 119.914 0.081 0.000 2.461 68 V HA 0.442 4.561 4.120 -0.000 0.000 0.275 68 V C -2.008 174.059 176.094 -0.044 0.000 1.047 68 V CA -1.298 61.008 62.300 0.010 0.000 0.955 68 V CB 0.853 32.670 31.823 -0.011 0.000 0.988 68 V HN 0.618 nan 8.190 nan 0.000 0.471 69 P HA 0.232 nan 4.420 nan 0.000 0.267 69 P C -1.043 176.056 177.300 -0.336 0.000 1.205 69 P CA 0.049 62.742 63.100 -0.678 0.000 0.765 69 P CB 0.231 31.223 31.700 -1.181 0.000 0.828 70 R N 2.975 123.358 120.500 -0.195 0.000 2.483 70 R HA 0.512 4.851 4.340 -0.000 0.000 0.303 70 R C -0.764 175.514 176.300 -0.037 0.000 0.987 70 R CA -0.899 55.151 56.100 -0.084 0.000 0.881 70 R CB 0.896 31.184 30.300 -0.019 0.000 1.177 70 R HN 0.297 nan 8.270 nan 0.000 0.451 71 L N 4.114 125.305 121.223 -0.052 0.000 2.282 71 L HA 0.376 4.716 4.340 -0.000 0.000 0.287 71 L C -0.570 176.303 176.870 0.005 0.000 1.075 71 L CA -0.969 53.865 54.840 -0.009 0.000 0.839 71 L CB 1.267 43.312 42.059 -0.024 0.000 1.219 71 L HN 0.438 nan 8.230 nan 0.000 0.434 72 V N 4.544 124.472 119.914 0.023 0.000 2.409 72 V HA 0.252 4.372 4.120 -0.000 0.000 0.291 72 V C 0.013 176.125 176.094 0.030 0.000 1.020 72 V CA -0.670 61.640 62.300 0.017 0.000 0.848 72 V CB 2.318 34.147 31.823 0.010 0.000 0.990 72 V HN 0.465 nan 8.190 nan 0.000 0.430 73 L N 5.444 126.690 121.223 0.038 0.000 2.385 73 L HA 0.329 4.669 4.340 -0.000 0.000 0.281 73 L C 0.854 177.744 176.870 0.035 0.000 1.106 73 L CA 0.399 55.287 54.840 0.081 0.000 0.856 73 L CB 0.756 42.870 42.059 0.091 0.000 1.186 73 L HN 0.607 nan 8.230 nan 0.000 0.453 74 Q N 5.451 125.225 119.800 -0.044 0.000 3.034 74 Q HA 0.005 4.345 4.340 -0.000 0.000 0.249 74 Q C 1.138 176.924 176.000 -0.357 0.000 1.282 74 Q CA 0.270 55.922 55.803 -0.251 0.000 0.918 74 Q CB -0.442 28.071 28.738 -0.375 0.000 1.772 74 Q HN 0.711 nan 8.270 nan 0.000 0.498 75 R N 0.458 120.916 120.500 -0.072 0.000 2.112 75 R HA -0.249 4.091 4.340 -0.000 0.000 0.242 75 R C 1.833 178.168 176.300 0.058 0.000 1.137 75 R CA 1.722 57.845 56.100 0.039 0.000 0.944 75 R CB -0.061 30.263 30.300 0.040 0.000 0.857 75 R HN 0.289 nan 8.270 nan 0.000 0.435 76 E N 1.063 121.274 120.200 0.020 0.000 2.085 76 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 76 E C 1.696 178.382 176.600 0.143 0.000 0.994 76 E CA 1.522 57.980 56.400 0.097 0.000 0.801 76 E CB 0.056 29.780 29.700 0.040 0.000 0.743 76 E HN 0.063 nan 8.360 nan 0.000 0.453 77 K N -0.172 120.219 120.400 -0.015 0.000 2.057 77 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 77 K C 2.163 178.823 176.600 0.100 0.000 1.049 77 K CA 1.422 57.697 56.287 -0.019 0.000 0.931 77 K CB -0.620 31.769 32.500 -0.185 0.000 0.714 77 K HN 0.395 nan 8.250 nan 0.000 0.440 78 H N -0.340 118.829 119.070 0.166 0.000 2.357 78 H HA -0.098 4.458 4.556 -0.000 0.000 0.301 78 H C 1.989 177.473 175.328 0.260 0.000 1.082 78 H CA 0.989 57.156 56.048 0.198 0.000 1.342 78 H CB -0.677 29.168 29.762 0.138 0.000 1.389 78 H HN 0.149 nan 8.280 nan 0.000 0.511 79 F N 1.686 121.766 119.950 0.215 0.000 2.095 79 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 79 F C 2.874 178.762 175.800 0.147 0.000 1.104 79 F CA 1.902 59.989 58.000 0.145 0.000 1.232 79 F CB -0.581 38.476 39.000 0.094 0.000 0.987 79 F HN 0.240 nan 8.300 nan 0.000 0.475 80 H N -1.136 117.941 119.070 0.011 0.000 2.319 80 H HA -0.285 4.271 4.556 -0.000 0.000 0.299 80 H C 2.257 177.562 175.328 -0.039 0.000 1.092 80 H CA 2.308 58.296 56.048 -0.100 0.000 1.302 80 H CB -1.054 28.742 29.762 0.056 0.000 1.373 80 H HN 0.451 nan 8.280 nan 0.000 0.497 81 Y N 1.380 121.619 120.300 -0.102 0.000 2.128 81 Y HA -0.220 4.330 4.550 -0.000 0.000 0.284 81 Y C 2.632 178.543 175.900 0.020 0.000 1.154 81 Y CA 1.803 59.876 58.100 -0.045 0.000 1.149 81 Y CB -0.692 37.815 38.460 0.080 0.000 0.976 81 Y HN 0.152 nan 8.280 nan 0.000 0.505 82 L N 0.165 121.356 121.223 -0.053 0.000 2.005 82 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 82 L C 2.654 179.319 176.870 -0.341 0.000 1.072 82 L CA 1.828 56.577 54.840 -0.152 0.000 0.744 82 L CB -0.726 41.307 42.059 -0.043 0.000 0.895 82 L HN 0.090 nan 8.230 nan 0.000 0.433 83 K N 0.421 120.526 120.400 -0.491 0.000 2.059 83 K HA -0.284 4.036 4.320 -0.000 0.000 0.212 83 K C 2.381 178.739 176.600 -0.403 0.000 1.050 83 K CA 1.871 57.830 56.287 -0.546 0.000 0.927 83 K CB -0.083 31.875 32.500 -0.903 0.000 0.714 83 K HN 0.130 nan 8.250 nan 0.000 0.447 84 R N -0.468 119.779 120.500 -0.422 0.000 2.062 84 R HA -0.065 4.274 4.340 -0.000 0.000 0.229 84 R C 2.372 178.493 176.300 -0.299 0.000 1.128 84 R CA 1.468 57.373 56.100 -0.325 0.000 0.960 84 R CB -0.536 29.559 30.300 -0.342 0.000 0.855 84 R HN 0.383 nan 8.270 nan 0.000 0.432 85 G N 1.296 109.887 108.800 -0.347 0.000 2.450 85 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.220 85 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.220 85 G C 1.259 175.805 174.900 -0.591 0.000 1.130 85 G CA 0.576 45.369 45.100 -0.512 0.000 0.760 85 G HN 0.310 nan 8.290 nan 0.000 0.557 86 L N -0.407 120.524 121.223 -0.486 0.000 2.362 86 L HA 0.223 4.563 4.340 -0.000 0.000 0.219 86 L C 2.470 179.145 176.870 -0.325 0.000 1.134 86 L CA 1.491 56.092 54.840 -0.398 0.000 0.807 86 L CB -0.151 41.725 42.059 -0.304 0.000 0.927 86 L HN 0.136 nan 8.230 nan 0.000 0.447 87 R N -1.273 119.052 120.500 -0.291 0.000 2.140 87 R HA 0.276 4.616 4.340 -0.000 0.000 0.200 87 R C 0.287 176.455 176.300 -0.219 0.000 1.069 87 R CA 0.436 56.397 56.100 -0.231 0.000 1.088 87 R CB 0.286 30.478 30.300 -0.179 0.000 1.012 87 R HN 0.432 nan 8.270 nan 0.000 0.500 88 Q N -0.279 119.396 119.800 -0.208 0.000 2.340 88 Q HA 0.498 4.838 4.340 -0.000 0.000 0.276 88 Q C -1.799 174.115 176.000 -0.142 0.000 1.048 88 Q CA -0.671 55.039 55.803 -0.154 0.000 0.832 88 Q CB 1.804 30.483 28.738 -0.099 0.000 1.373 88 Q HN 0.065 nan 8.270 nan 0.000 0.409 89 L N 1.188 122.355 121.223 -0.093 0.000 2.371 89 L HA 0.608 4.948 4.340 -0.000 0.000 0.262 89 L C 0.259 177.187 176.870 0.097 0.000 1.006 89 L CA -0.874 53.951 54.840 -0.024 0.000 0.818 89 L CB 2.241 44.231 42.059 -0.115 0.000 1.354 89 L HN 0.804 nan 8.230 nan 0.000 0.415 90 T N -3.615 111.062 114.554 0.205 0.000 2.754 90 T HA 0.081 4.431 4.350 -0.000 0.000 0.286 90 T C 0.709 175.532 174.700 0.205 0.000 0.997 90 T CA -0.216 61.994 62.100 0.183 0.000 0.982 90 T CB 0.673 69.648 68.868 0.178 0.000 1.027 90 T HN 0.739 nan 8.240 nan 0.000 0.529 91 D N -0.403 120.076 120.400 0.130 0.000 2.392 91 D HA 0.040 4.680 4.640 -0.000 0.000 0.228 91 D C 1.801 178.152 176.300 0.086 0.000 1.003 91 D CA 0.716 54.779 54.000 0.105 0.000 0.917 91 D CB -0.703 40.136 40.800 0.066 0.000 0.890 91 D HN 0.660 nan 8.370 nan 0.000 0.532 92 A N -0.399 122.478 122.820 0.095 0.000 2.067 92 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 92 A C 1.118 178.572 177.584 -0.216 0.000 1.158 92 A CA 0.482 52.492 52.037 -0.045 0.000 0.661 92 A CB -0.797 18.176 19.000 -0.045 0.000 0.801 92 A HN 0.325 nan 8.150 nan 0.000 0.452 93 Y N 0.211 120.576 120.300 0.109 0.000 2.532 93 Y HA 0.150 4.700 4.550 -0.000 0.000 0.283 93 Y C 1.795 177.755 175.900 0.100 0.000 1.181 93 Y CA -0.007 58.171 58.100 0.129 0.000 1.256 93 Y CB -0.057 38.496 38.460 0.155 0.000 1.112 93 Y HN 0.440 nan 8.280 nan 0.000 0.521 94 E N -0.316 119.954 120.200 0.117 0.000 2.110 94 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 94 E C 2.056 178.706 176.600 0.083 0.000 0.988 94 E CA 1.557 58.014 56.400 0.094 0.000 0.804 94 E CB -0.211 29.526 29.700 0.061 0.000 0.745 94 E HN 0.649 nan 8.360 nan 0.000 0.458 95 C N -0.384 118.949 119.300 0.055 0.000 2.466 95 C HA 0.072 4.532 4.460 -0.000 0.000 0.283 95 C C 1.719 176.767 174.990 0.096 0.000 1.472 95 C CA -0.083 58.966 59.018 0.052 0.000 1.765 95 C CB -1.029 26.719 27.740 0.013 0.000 1.724 95 C HN 0.218 nan 8.230 nan 0.000 0.560 96 L N 0.621 121.940 121.223 0.160 0.000 3.066 96 L HA 0.239 4.579 4.340 -0.000 0.000 0.265 96 L C 1.549 178.537 176.870 0.197 0.000 1.232 96 L CA 0.149 55.125 54.840 0.226 0.000 1.031 96 L CB -0.240 42.058 42.059 0.399 0.000 1.379 96 L HN 0.141 nan 8.230 nan 0.000 0.563 97 D N 1.374 121.861 120.400 0.145 0.000 2.309 97 D HA -0.121 4.519 4.640 -0.000 0.000 0.212 97 D C 1.679 178.040 176.300 0.102 0.000 0.968 97 D CA 1.030 55.102 54.000 0.119 0.000 0.882 97 D CB 0.491 41.344 40.800 0.089 0.000 0.918 97 D HN 0.289 nan 8.370 nan 0.000 0.503 98 A N -0.918 121.957 122.820 0.092 0.000 2.507 98 A HA 0.388 4.708 4.320 -0.000 0.000 0.270 98 A C 0.852 178.489 177.584 0.088 0.000 1.318 98 A CA -0.258 51.816 52.037 0.062 0.000 0.924 98 A CB 0.396 19.410 19.000 0.023 0.000 1.061 98 A HN 0.041 nan 8.150 nan 0.000 0.516 99 S N -0.762 115.027 115.700 0.147 0.000 2.977 99 S HA 0.170 4.640 4.470 -0.000 0.000 0.250 99 S C 1.152 175.862 174.600 0.183 0.000 1.005 99 S CA -0.493 57.841 58.200 0.224 0.000 1.081 99 S CB 0.054 63.401 63.200 0.245 0.000 1.018 99 S HN 0.600 nan 8.310 nan 0.000 0.539 100 R N 1.835 122.432 120.500 0.162 0.000 2.120 100 R HA -0.054 4.286 4.340 -0.000 0.000 0.234 100 R C -1.142 175.240 176.300 0.136 0.000 1.123 100 R CA 1.366 57.573 56.100 0.177 0.000 0.975 100 R CB -1.187 29.302 30.300 0.315 0.000 0.866 100 R HN 0.299 nan 8.270 nan 0.000 0.446 101 P HA -0.128 nan 4.420 nan 0.000 0.223 101 P C 0.329 177.489 177.300 -0.233 0.000 1.151 101 P CA 0.947 63.979 63.100 -0.113 0.000 0.787 101 P CB -0.027 31.515 31.700 -0.263 0.000 0.788 102 W N -0.674 120.433 121.300 -0.321 0.000 2.381 102 W HA -0.033 4.627 4.660 -0.000 0.000 0.301 102 W C 2.052 178.043 176.519 -0.881 0.000 1.205 102 W CA 0.439 57.328 57.345 -0.759 0.000 1.285 102 W CB -0.871 27.923 29.460 -1.111 0.000 1.133 102 W HN -0.150 nan 8.180 nan 0.000 0.521 103 L N -0.957 120.135 121.223 -0.218 0.000 2.083 103 L HA -0.281 4.059 4.340 -0.000 0.000 0.209 103 L C 2.351 179.151 176.870 -0.117 0.000 1.083 103 L CA 1.056 55.873 54.840 -0.039 0.000 0.752 103 L CB -0.978 41.050 42.059 -0.052 0.000 0.899 103 L HN 0.082 nan 8.230 nan 0.000 0.433 104 C N -1.341 117.890 119.300 -0.115 0.000 2.436 104 C HA -0.227 4.233 4.460 -0.000 0.000 0.277 104 C C 2.742 177.683 174.990 -0.083 0.000 1.241 104 C CA 0.671 59.624 59.018 -0.108 0.000 1.721 104 C CB -0.793 26.916 27.740 -0.050 0.000 2.043 104 C HN 0.566 nan 8.230 nan 0.000 0.472 105 Y N 0.703 120.882 120.300 -0.202 0.000 2.097 105 Y HA -0.207 4.343 4.550 -0.000 0.000 0.282 105 Y C 2.345 178.267 175.900 0.037 0.000 1.152 105 Y CA 1.563 59.564 58.100 -0.164 0.000 1.136 105 Y CB -0.764 37.512 38.460 -0.307 0.000 0.975 105 Y HN 0.383 nan 8.280 nan 0.000 0.498 106 W N 0.653 121.816 121.300 -0.228 0.000 2.321 106 W HA -0.251 4.409 4.660 -0.000 0.000 0.306 106 W C 2.462 178.811 176.519 -0.284 0.000 1.217 106 W CA 1.634 58.788 57.345 -0.319 0.000 1.257 106 W CB -1.251 28.229 29.460 0.035 0.000 1.145 106 W HN 0.229 nan 8.180 nan 0.000 0.509 107 I N -0.461 120.105 120.570 -0.005 0.000 2.193 107 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 107 I C 2.471 178.517 176.117 -0.118 0.000 1.084 107 I CA 1.044 62.275 61.300 -0.116 0.000 1.365 107 I CB -0.952 36.866 38.000 -0.304 0.000 1.064 107 I HN -0.195 nan 8.210 nan 0.000 0.410 108 L N 0.058 121.208 121.223 -0.122 0.000 2.079 108 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 108 L C 2.766 179.598 176.870 -0.064 0.000 1.081 108 L CA 1.535 56.325 54.840 -0.083 0.000 0.752 108 L CB -0.856 41.166 42.059 -0.062 0.000 0.896 108 L HN 0.362 nan 8.230 nan 0.000 0.433 109 H N -0.377 118.537 119.070 -0.259 0.000 2.357 109 H HA -0.099 4.457 4.556 -0.000 0.000 0.301 109 H C 2.399 177.613 175.328 -0.189 0.000 1.082 109 H CA 1.660 57.546 56.048 -0.269 0.000 1.342 109 H CB 0.055 29.479 29.762 -0.564 0.000 1.389 109 H HN 0.117 nan 8.280 nan 0.000 0.511 110 S N 0.030 115.571 115.700 -0.266 0.000 2.368 110 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 110 S C 2.339 176.860 174.600 -0.132 0.000 1.030 110 S CA 1.260 59.317 58.200 -0.238 0.000 0.999 110 S CB -0.299 62.835 63.200 -0.110 0.000 0.844 110 S HN 0.354 nan 8.310 nan 0.000 0.459 111 L N 1.290 122.475 121.223 -0.064 0.000 2.046 111 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 111 L C 2.765 179.627 176.870 -0.014 0.000 1.077 111 L CA 1.585 56.436 54.840 0.018 0.000 0.747 111 L CB -0.575 41.507 42.059 0.038 0.000 0.896 111 L HN 0.440 nan 8.230 nan 0.000 0.432 112 E N 0.823 120.988 120.200 -0.058 0.000 2.077 112 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 112 E C 2.323 178.879 176.600 -0.074 0.000 0.989 112 E CA 1.229 57.602 56.400 -0.045 0.000 0.800 112 E CB -0.121 29.576 29.700 -0.004 0.000 0.746 112 E HN 0.477 nan 8.360 nan 0.000 0.452 113 L N 0.508 121.624 121.223 -0.178 0.000 2.046 113 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 113 L C 2.471 179.309 176.870 -0.053 0.000 1.077 113 L CA 0.837 55.586 54.840 -0.151 0.000 0.747 113 L CB -0.208 41.687 42.059 -0.272 0.000 0.896 113 L HN 0.262 nan 8.230 nan 0.000 0.432 114 L N -0.643 120.558 121.223 -0.036 0.000 2.610 114 L HA -0.060 4.280 4.340 -0.000 0.000 0.232 114 L C 0.415 177.287 176.870 0.002 0.000 1.149 114 L CA 0.069 54.917 54.840 0.013 0.000 0.872 114 L CB -0.378 41.721 42.059 0.067 0.000 0.992 114 L HN 0.276 nan 8.230 nan 0.000 0.447 115 D N 0.919 121.314 120.400 -0.008 0.000 2.800 115 D HA -0.169 4.471 4.640 -0.000 0.000 0.232 115 D C -0.074 176.208 176.300 -0.029 0.000 1.137 115 D CA 0.617 54.608 54.000 -0.015 0.000 0.718 115 D CB -0.362 40.429 40.800 -0.016 0.000 1.084 115 D HN 0.262 nan 8.370 nan 0.000 0.432 116 E N 0.997 121.193 120.200 -0.006 0.000 2.156 116 E HA 0.358 4.708 4.350 -0.000 0.000 0.279 116 E C -1.864 174.751 176.600 0.024 0.000 0.965 116 E CA -1.557 54.839 56.400 -0.007 0.000 0.789 116 E CB 1.125 30.892 29.700 0.111 0.000 1.098 116 E HN 0.286 nan 8.360 nan 0.000 0.397 117 P HA 0.168 nan 4.420 nan 0.000 0.272 117 P C -0.245 177.073 177.300 0.029 0.000 1.223 117 P CA -0.317 62.787 63.100 0.007 0.000 0.784 117 P CB 0.907 32.602 31.700 -0.009 0.000 0.923 118 I N 3.265 123.838 120.570 0.005 0.000 2.306 118 I HA 0.264 4.434 4.170 -0.000 0.000 0.288 118 I C -2.043 174.066 176.117 -0.013 0.000 1.036 118 I CA -2.915 58.383 61.300 -0.003 0.000 1.221 118 I CB -0.016 37.969 38.000 -0.026 0.000 1.385 118 I HN 0.153 nan 8.210 nan 0.000 0.472 119 P HA 0.053 nan 4.420 nan 0.000 0.267 119 P C 0.700 177.985 177.300 -0.026 0.000 1.200 119 P CA -0.199 62.895 63.100 -0.010 0.000 0.772 119 P CB 0.672 32.370 31.700 -0.002 0.000 0.855 120 Q N 1.494 121.277 119.800 -0.028 0.000 2.364 120 Q HA -0.063 4.277 4.340 -0.000 0.000 0.207 120 Q C 1.795 177.774 176.000 -0.034 0.000 0.970 120 Q CA 1.094 56.875 55.803 -0.036 0.000 0.888 120 Q CB -0.334 28.382 28.738 -0.037 0.000 0.951 120 Q HN 0.591 nan 8.270 nan 0.000 0.469 121 I N -0.416 120.137 120.570 -0.028 0.000 2.202 121 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 121 I C 2.056 178.151 176.117 -0.036 0.000 1.091 121 I CA 0.744 62.027 61.300 -0.028 0.000 1.368 121 I CB -0.053 37.932 38.000 -0.025 0.000 1.058 121 I HN -0.012 nan 8.210 nan 0.000 0.410 122 V N 1.045 120.935 119.914 -0.040 0.000 2.261 122 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 122 V C 2.699 178.762 176.094 -0.052 0.000 1.047 122 V CA 2.005 64.273 62.300 -0.053 0.000 1.015 122 V CB -1.156 30.634 31.823 -0.056 0.000 0.642 122 V HN 0.505 nan 8.190 nan 0.000 0.446 123 A N -0.632 122.157 122.820 -0.051 0.000 1.892 123 A HA -0.324 3.996 4.320 -0.000 0.000 0.218 123 A C 2.475 180.028 177.584 -0.051 0.000 1.188 123 A CA 2.889 54.890 52.037 -0.059 0.000 0.631 123 A CB -1.174 17.784 19.000 -0.069 0.000 0.822 123 A HN 0.477 nan 8.150 nan 0.000 0.447 124 T N -0.952 113.576 114.554 -0.042 0.000 2.788 124 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 124 T C 1.502 176.195 174.700 -0.013 0.000 1.044 124 T CA 1.789 63.870 62.100 -0.031 0.000 1.139 124 T CB -0.541 68.311 68.868 -0.028 0.000 0.867 124 T HN 0.470 nan 8.240 nan 0.000 0.454 125 D N 0.424 120.815 120.400 -0.015 0.000 2.144 125 D HA -0.018 4.621 4.640 -0.000 0.000 0.200 125 D C 2.214 178.536 176.300 0.037 0.000 0.978 125 D CA 0.624 54.625 54.000 0.002 0.000 0.833 125 D CB -0.423 40.361 40.800 -0.027 0.000 0.961 125 D HN 0.288 nan 8.370 nan 0.000 0.470 126 V N 0.581 120.503 119.914 0.013 0.000 2.307 126 V HA -0.263 3.857 4.120 -0.000 0.000 0.245 126 V C 2.667 178.801 176.094 0.068 0.000 1.045 126 V CA 1.240 63.570 62.300 0.049 0.000 1.024 126 V CB -0.446 31.368 31.823 -0.015 0.000 0.651 126 V HN 0.289 nan 8.190 nan 0.000 0.449 127 C N -0.505 118.803 119.300 0.013 0.000 2.413 127 C HA -0.238 4.222 4.460 -0.000 0.000 0.277 127 C C 2.853 177.860 174.990 0.029 0.000 1.228 127 C CA 1.319 60.339 59.018 0.002 0.000 1.731 127 C CB -1.140 26.589 27.740 -0.019 0.000 2.042 127 C HN 0.602 nan 8.230 nan 0.000 0.468 128 Q N -0.778 119.048 119.800 0.043 0.000 2.124 128 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 128 Q C 1.985 178.031 176.000 0.076 0.000 0.977 128 Q CA 1.657 57.490 55.803 0.049 0.000 0.850 128 Q CB -0.326 28.440 28.738 0.047 0.000 0.901 128 Q HN 0.783 nan 8.270 nan 0.000 0.429 129 F N 0.870 120.806 119.950 -0.024 0.000 2.146 129 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 129 F C 1.595 177.395 175.800 -0.000 0.000 1.096 129 F CA 1.169 59.155 58.000 -0.023 0.000 1.275 129 F CB -0.144 38.828 39.000 -0.047 0.000 1.008 129 F HN -0.044 nan 8.300 nan 0.000 0.480 130 L N 0.062 121.161 121.223 -0.206 0.000 2.191 130 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 130 L C 2.326 179.186 176.870 -0.018 0.000 1.103 130 L CA 1.307 56.008 54.840 -0.232 0.000 0.769 130 L CB -0.725 41.236 42.059 -0.163 0.000 0.908 130 L HN 0.224 nan 8.230 nan 0.000 0.438 131 E N 0.273 120.463 120.200 -0.017 0.000 2.072 131 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 131 E C 2.337 178.887 176.600 -0.084 0.000 0.985 131 E CA 0.967 57.367 56.400 -0.000 0.000 0.801 131 E CB -0.091 29.607 29.700 -0.003 0.000 0.750 131 E HN 0.483 nan 8.360 nan 0.000 0.452 132 L N 0.315 121.455 121.223 -0.138 0.000 2.191 132 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 132 L C 2.335 179.081 176.870 -0.207 0.000 1.103 132 L CA 0.603 55.351 54.840 -0.154 0.000 0.769 132 L CB -0.248 41.736 42.059 -0.124 0.000 0.908 132 L HN 0.301 nan 8.230 nan 0.000 0.438 133 C N -1.171 117.956 119.300 -0.289 0.000 2.514 133 C HA -0.031 4.429 4.460 -0.000 0.000 0.271 133 C C 1.528 176.442 174.990 -0.128 0.000 1.399 133 C CA -0.459 58.429 59.018 -0.215 0.000 1.765 133 C CB -0.816 26.762 27.740 -0.270 0.000 1.893 133 C HN 0.408 nan 8.230 nan 0.000 0.531 134 Q N 1.634 121.318 119.800 -0.193 0.000 2.313 134 Q HA 0.168 4.508 4.340 -0.000 0.000 0.266 134 Q C 0.275 176.054 176.000 -0.368 0.000 0.989 134 Q CA 0.157 55.635 55.803 -0.542 0.000 0.890 134 Q CB 0.618 28.953 28.738 -0.670 0.000 1.200 134 Q HN 0.455 nan 8.270 nan 0.000 0.396 135 S N 3.792 119.251 115.700 -0.402 0.000 2.580 135 S HA 0.245 4.715 4.470 -0.000 0.000 0.274 135 S C -1.817 172.653 174.600 -0.217 0.000 1.329 135 S CA -1.420 56.627 58.200 -0.255 0.000 1.036 135 S CB 0.758 63.802 63.200 -0.260 0.000 0.919 135 S HN 0.603 nan 8.310 nan 0.000 0.515 136 P HA 0.007 nan 4.420 nan 0.000 0.222 136 P C 0.072 177.321 177.300 -0.086 0.000 1.147 136 P CA 0.949 63.994 63.100 -0.092 0.000 0.790 136 P CB 0.110 31.780 31.700 -0.050 0.000 0.780 137 D N -0.987 119.358 120.400 -0.092 0.000 2.368 137 D HA 0.277 4.917 4.640 -0.000 0.000 0.218 137 D C 0.858 177.109 176.300 -0.082 0.000 1.112 137 D CA 0.388 54.354 54.000 -0.057 0.000 0.834 137 D CB 0.415 41.210 40.800 -0.009 0.000 0.953 137 D HN 0.074 nan 8.370 nan 0.000 0.505 138 G N 0.014 108.695 108.800 -0.199 0.000 2.697 138 G HA2 0.365 4.325 3.960 -0.000 0.000 0.686 138 G HA3 0.365 4.325 3.960 -0.000 0.000 0.686 138 G C 0.203 174.765 174.900 -0.565 0.000 1.179 138 G CA -0.463 44.488 45.100 -0.247 0.000 0.765 138 G HN 0.599 nan 8.290 nan 0.000 0.649 139 G N -0.769 107.722 108.800 -0.515 0.000 2.795 139 G HA2 0.360 4.320 3.960 -0.000 0.000 0.664 139 G HA3 0.360 4.320 3.960 -0.000 0.000 0.664 139 G C -0.492 174.015 174.900 -0.655 0.000 1.381 139 G CA 0.095 44.870 45.100 -0.541 0.000 0.853 139 G HN 1.755 nan 8.290 nan 0.000 0.545 140 F N 0.424 120.242 119.950 -0.220 0.000 2.522 140 F HA 0.716 5.242 4.527 -0.000 0.000 0.324 140 F C 1.125 176.850 175.800 -0.126 0.000 1.077 140 F CA 0.257 58.149 58.000 -0.179 0.000 0.944 140 F CB 2.141 41.036 39.000 -0.176 0.000 1.175 140 F HN 0.809 nan 8.300 nan 0.000 0.468 141 G N 0.015 108.841 108.800 0.044 0.000 2.557 141 G HA2 0.438 4.398 3.960 -0.000 0.000 0.302 141 G HA3 0.438 4.398 3.960 -0.000 0.000 0.302 141 G C 0.835 175.749 174.900 0.024 0.000 1.311 141 G CA -0.405 44.715 45.100 0.033 0.000 1.030 141 G HN 0.888 nan 8.290 nan 0.000 0.509 142 G N -1.764 107.046 108.800 0.017 0.000 2.598 142 G HA2 0.443 4.403 3.960 -0.000 0.000 0.215 142 G HA3 0.443 4.403 3.960 -0.000 0.000 0.215 142 G C 0.675 175.607 174.900 0.054 0.000 1.131 142 G CA 1.028 46.148 45.100 0.033 0.000 0.785 142 G HN 1.247 nan 8.290 nan 0.000 0.539 143 G N -1.414 107.394 108.800 0.013 0.000 2.451 143 G HA2 0.483 4.443 3.960 -0.000 0.000 0.292 143 G HA3 0.483 4.443 3.960 -0.000 0.000 0.292 143 G C -3.447 171.425 174.900 -0.048 0.000 1.427 143 G CA -0.972 44.150 45.100 0.036 0.000 0.792 143 G HN -0.111 nan 8.290 nan 0.000 0.498 144 P HA 0.331 nan 4.420 nan 0.000 0.267 144 P C 0.999 178.263 177.300 -0.059 0.000 1.209 144 P CA 1.951 65.011 63.100 -0.066 0.000 0.763 144 P CB 1.037 32.731 31.700 -0.010 0.000 0.816 145 G N 1.875 110.623 108.800 -0.086 0.000 2.199 145 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.254 145 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.254 145 G C 0.104 174.898 174.900 -0.176 0.000 0.982 145 G CA -0.288 44.747 45.100 -0.108 0.000 0.632 145 G HN 0.560 nan 8.290 nan 0.000 0.529 146 Q N -0.511 119.202 119.800 -0.146 0.000 2.260 146 Q HA 0.554 4.894 4.340 -0.000 0.000 0.242 146 Q C -0.053 175.870 176.000 -0.128 0.000 0.932 146 Q CA -0.734 54.961 55.803 -0.182 0.000 0.891 146 Q CB 0.934 29.622 28.738 -0.083 0.000 1.222 146 Q HN 0.473 nan 8.270 nan 0.000 0.453 147 Y N 2.003 122.301 120.300 -0.004 0.000 2.457 147 Y HA 0.046 4.596 4.550 -0.000 0.000 0.341 147 Y C -1.570 174.328 175.900 -0.004 0.000 1.240 147 Y CA -1.720 56.382 58.100 0.003 0.000 1.437 147 Y CB 0.106 38.603 38.460 0.061 0.000 1.328 147 Y HN 0.426 nan 8.280 nan 0.000 0.588 148 P HA -0.025 nan 4.420 nan 0.000 0.271 148 P C -1.032 176.407 177.300 0.231 0.000 1.218 148 P CA 0.527 63.589 63.100 -0.064 0.000 0.780 148 P CB 1.042 32.376 31.700 -0.610 0.000 0.901 149 H N 2.240 121.412 119.070 0.171 0.000 2.974 149 H HA 0.197 4.753 4.556 -0.000 0.000 0.366 149 H C 0.734 176.260 175.328 0.329 0.000 1.155 149 H CA -0.592 55.640 56.048 0.307 0.000 1.186 149 H CB 1.614 31.469 29.762 0.156 0.000 1.799 149 H HN 0.215 nan 8.280 nan 0.000 0.541 150 L N 2.749 124.197 121.223 0.376 0.000 2.131 150 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 150 L C 2.455 179.558 176.870 0.389 0.000 1.092 150 L CA 1.507 56.546 54.840 0.332 0.000 0.759 150 L CB -0.413 41.729 42.059 0.139 0.000 0.903 150 L HN 0.667 nan 8.230 nan 0.000 0.435 151 A N 0.780 123.993 122.820 0.654 0.000 1.855 151 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 151 A C -0.169 177.530 177.584 0.192 0.000 1.191 151 A CA 1.384 53.787 52.037 0.609 0.000 0.613 151 A CB -1.783 17.727 19.000 0.850 0.000 0.829 151 A HN 0.272 nan 8.150 nan 0.000 0.442 152 P HA -0.068 nan 4.420 nan 0.000 0.223 152 P C 1.178 178.355 177.300 -0.205 0.000 1.151 152 P CA 1.455 64.432 63.100 -0.204 0.000 0.787 152 P CB -0.305 31.386 31.700 -0.016 0.000 0.788 153 T N -0.867 113.709 114.554 0.036 0.000 2.777 153 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 153 T C 1.698 176.326 174.700 -0.120 0.000 1.040 153 T CA 1.097 63.258 62.100 0.103 0.000 1.141 153 T CB -1.004 68.031 68.868 0.278 0.000 0.868 153 T HN 0.107 nan 8.240 nan 0.000 0.444 154 Y N 2.155 122.305 120.300 -0.250 0.000 2.145 154 Y HA -0.005 4.545 4.550 -0.000 0.000 0.286 154 Y C 2.480 178.011 175.900 -0.615 0.000 1.145 154 Y CA 1.039 58.925 58.100 -0.356 0.000 1.148 154 Y CB -0.677 37.627 38.460 -0.259 0.000 0.981 154 Y HN 0.154 nan 8.280 nan 0.000 0.507 155 A N 0.920 123.164 122.820 -0.960 0.000 1.902 155 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 155 A C 2.431 179.521 177.584 -0.823 0.000 1.181 155 A CA 1.936 53.232 52.037 -1.236 0.000 0.623 155 A CB -1.550 16.500 19.000 -1.584 0.000 0.818 155 A HN 0.666 nan 8.150 nan 0.000 0.443 156 A N -0.579 121.793 122.820 -0.747 0.000 1.877 156 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 156 A C 2.241 179.394 177.584 -0.718 0.000 1.186 156 A CA 1.812 53.366 52.037 -0.805 0.000 0.620 156 A CB -0.986 17.198 19.000 -1.360 0.000 0.822 156 A HN 0.388 nan 8.150 nan 0.000 0.443 157 V N 0.808 120.327 119.914 -0.658 0.000 2.295 157 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 157 V C 2.373 178.242 176.094 -0.375 0.000 1.049 157 V CA 2.261 64.307 62.300 -0.424 0.000 1.024 157 V CB -1.039 30.599 31.823 -0.307 0.000 0.648 157 V HN 0.549 nan 8.190 nan 0.000 0.447 158 N N 0.389 118.760 118.700 -0.548 0.000 2.120 158 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 158 N C 1.851 177.242 175.510 -0.199 0.000 1.024 158 N CA 1.709 54.484 53.050 -0.457 0.000 0.852 158 N CB -0.575 37.386 38.487 -0.876 0.000 1.003 158 N HN 0.481 nan 8.380 nan 0.000 0.424 159 A N 0.818 123.519 122.820 -0.200 0.000 1.877 159 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 159 A C 2.324 179.841 177.584 -0.112 0.000 1.186 159 A CA 1.016 53.001 52.037 -0.086 0.000 0.620 159 A CB -0.813 18.114 19.000 -0.122 0.000 0.822 159 A HN 0.264 nan 8.150 nan 0.000 0.443 160 L N -0.912 120.215 121.223 -0.161 0.000 2.131 160 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 160 L C 2.605 179.427 176.870 -0.081 0.000 1.092 160 L CA 1.098 55.867 54.840 -0.119 0.000 0.759 160 L CB -0.604 41.399 42.059 -0.092 0.000 0.903 160 L HN 0.496 nan 8.230 nan 0.000 0.435 161 C N -0.368 118.919 119.300 -0.021 0.000 2.450 161 C HA -0.048 4.411 4.460 -0.000 0.000 0.279 161 C C 2.699 177.690 174.990 0.002 0.000 1.335 161 C CA 0.108 59.169 59.018 0.072 0.000 1.749 161 C CB -0.470 27.303 27.740 0.055 0.000 1.963 161 C HN 0.425 nan 8.230 nan 0.000 0.501 162 I N 0.750 121.310 120.570 -0.017 0.000 2.286 162 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 162 I C 2.258 178.346 176.117 -0.047 0.000 1.115 162 I CA 1.685 62.986 61.300 0.002 0.000 1.392 162 I CB -0.312 37.709 38.000 0.035 0.000 1.065 162 I HN 0.318 nan 8.210 nan 0.000 0.418 163 I N 0.468 120.981 120.570 -0.095 0.000 2.163 163 I HA -0.171 3.999 4.170 -0.000 0.000 0.240 163 I C 1.856 177.844 176.117 -0.215 0.000 1.081 163 I CA 1.332 62.549 61.300 -0.138 0.000 1.353 163 I CB -0.758 37.152 38.000 -0.150 0.000 1.054 163 I HN 0.443 nan 8.210 nan 0.000 0.407 164 G N 1.661 110.253 108.800 -0.346 0.000 2.179 164 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.257 164 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.257 164 G C 0.402 174.828 174.900 -0.789 0.000 1.010 164 G CA 0.574 45.326 45.100 -0.580 0.000 0.736 164 G HN 0.520 nan 8.290 nan 0.000 0.513 165 T N -3.306 110.830 114.554 -0.696 0.000 2.927 165 T HA 0.656 5.006 4.350 -0.000 0.000 0.281 165 T C 1.085 175.422 174.700 -0.604 0.000 0.998 165 T CA 0.358 62.160 62.100 -0.495 0.000 1.019 165 T CB 2.069 70.775 68.868 -0.272 0.000 1.061 165 T HN 0.120 nan 8.240 nan 0.000 0.518 166 E N 0.297 120.311 120.200 -0.310 0.000 2.085 166 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 166 E C 1.980 178.507 176.600 -0.121 0.000 0.994 166 E CA 1.861 58.158 56.400 -0.171 0.000 0.801 166 E CB -0.254 29.406 29.700 -0.068 0.000 0.743 166 E HN 0.859 nan 8.360 nan 0.000 0.453 167 E N -0.480 119.645 120.200 -0.125 0.000 2.058 167 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 167 E C 1.942 178.496 176.600 -0.076 0.000 0.997 167 E CA 1.187 57.543 56.400 -0.073 0.000 0.801 167 E CB -0.259 29.398 29.700 -0.072 0.000 0.746 167 E HN 0.341 nan 8.360 nan 0.000 0.450 168 A N 0.472 123.184 122.820 -0.179 0.000 1.858 168 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 168 A C 2.031 179.602 177.584 -0.021 0.000 1.190 168 A CA 1.624 53.562 52.037 -0.164 0.000 0.617 168 A CB -1.226 17.588 19.000 -0.310 0.000 0.827 168 A HN 0.509 nan 8.150 nan 0.000 0.443 169 Y N 0.167 120.449 120.300 -0.031 0.000 2.207 169 Y HA -0.226 4.324 4.550 -0.000 0.000 0.287 169 Y C 2.334 178.356 175.900 0.205 0.000 1.156 169 Y CA 0.855 59.010 58.100 0.092 0.000 1.182 169 Y CB -0.264 38.007 38.460 -0.315 0.000 0.979 169 Y HN 0.307 nan 8.280 nan 0.000 0.521 170 N N -0.133 118.716 118.700 0.249 0.000 2.520 170 N HA -0.114 4.626 4.740 -0.000 0.000 0.185 170 N C 1.696 177.305 175.510 0.165 0.000 1.068 170 N CA 0.642 53.813 53.050 0.202 0.000 0.911 170 N CB -0.312 38.246 38.487 0.119 0.000 0.961 170 N HN 0.179 nan 8.380 nan 0.000 0.446 171 V N 1.294 121.301 119.914 0.156 0.000 2.427 171 V HA -0.087 4.033 4.120 -0.000 0.000 0.248 171 V C 1.109 177.312 176.094 0.181 0.000 1.051 171 V CA 0.697 63.081 62.300 0.141 0.000 1.048 171 V CB -0.239 31.664 31.823 0.134 0.000 0.666 171 V HN 0.199 nan 8.190 nan 0.000 0.456 172 I N 2.242 122.955 120.570 0.240 0.000 2.581 172 I HA 0.027 4.196 4.170 -0.000 0.000 0.285 172 I C 0.531 176.713 176.117 0.109 0.000 1.129 172 I CA 0.202 61.633 61.300 0.218 0.000 1.397 172 I CB -0.136 37.979 38.000 0.191 0.000 1.399 172 I HN 0.161 nan 8.210 nan 0.000 0.537 173 N N 7.117 125.826 118.700 0.014 0.000 2.482 173 N HA 0.115 4.855 4.740 -0.000 0.000 0.242 173 N C 0.968 176.473 175.510 -0.008 0.000 1.100 173 N CA 0.001 53.046 53.050 -0.007 0.000 0.946 173 N CB 0.506 38.953 38.487 -0.066 0.000 1.227 173 N HN 0.452 nan 8.380 nan 0.000 0.508 174 R N 2.022 122.533 120.500 0.017 0.000 2.096 174 R HA -0.124 4.215 4.340 -0.000 0.000 0.235 174 R C 0.920 177.227 176.300 0.012 0.000 1.127 174 R CA 1.422 57.519 56.100 -0.005 0.000 0.968 174 R CB 0.217 30.515 30.300 -0.003 0.000 0.861 174 R HN 0.499 nan 8.270 nan 0.000 0.440 175 E N 0.537 120.754 120.200 0.028 0.000 2.047 175 E HA -0.119 4.230 4.350 -0.000 0.000 0.191 175 E C 1.823 178.447 176.600 0.040 0.000 0.987 175 E CA 1.051 57.476 56.400 0.042 0.000 0.799 175 E CB 0.085 29.810 29.700 0.042 0.000 0.752 175 E HN 0.039 nan 8.360 nan 0.000 0.449 176 K N 0.350 120.760 120.400 0.016 0.000 2.097 176 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 176 K C 2.111 178.736 176.600 0.041 0.000 1.050 176 K CA 0.474 56.769 56.287 0.013 0.000 0.938 176 K CB -0.510 31.967 32.500 -0.039 0.000 0.718 176 K HN 0.125 nan 8.250 nan 0.000 0.442 177 L N 1.337 122.571 121.223 0.018 0.000 2.012 177 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 177 L C 2.130 179.056 176.870 0.094 0.000 1.073 177 L CA 1.378 56.252 54.840 0.057 0.000 0.748 177 L CB -0.773 41.297 42.059 0.018 0.000 0.891 177 L HN 0.078 nan 8.230 nan 0.000 0.431 178 L N -0.600 120.656 121.223 0.056 0.000 2.046 178 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 178 L C 2.494 179.445 176.870 0.135 0.000 1.077 178 L CA 1.751 56.617 54.840 0.044 0.000 0.747 178 L CB -0.738 41.360 42.059 0.065 0.000 0.896 178 L HN 0.438 nan 8.230 nan 0.000 0.432 179 Q N -1.866 118.033 119.800 0.164 0.000 2.061 179 Q HA -0.276 4.064 4.340 -0.000 0.000 0.204 179 Q C 2.174 178.287 176.000 0.188 0.000 0.984 179 Q CA 2.122 58.038 55.803 0.188 0.000 0.846 179 Q CB -0.459 28.349 28.738 0.116 0.000 0.902 179 Q HN 0.605 nan 8.270 nan 0.000 0.421 180 Y N 1.357 121.680 120.300 0.039 0.000 2.097 180 Y HA -0.258 4.292 4.550 -0.000 0.000 0.282 180 Y C 1.806 177.733 175.900 0.046 0.000 1.152 180 Y CA 1.505 59.620 58.100 0.026 0.000 1.136 180 Y CB -0.400 38.058 38.460 -0.003 0.000 0.975 180 Y HN 0.040 nan 8.280 nan 0.000 0.498 181 L N -1.507 119.668 121.223 -0.079 0.000 2.042 181 L HA -0.299 4.041 4.340 -0.000 0.000 0.210 181 L C 2.284 179.120 176.870 -0.056 0.000 1.076 181 L CA 1.802 56.550 54.840 -0.154 0.000 0.749 181 L CB -1.013 40.933 42.059 -0.188 0.000 0.893 181 L HN 0.261 nan 8.230 nan 0.000 0.432 182 Y N 0.401 120.670 120.300 -0.053 0.000 2.242 182 Y HA -0.253 4.297 4.550 -0.000 0.000 0.291 182 Y C 3.083 178.904 175.900 -0.132 0.000 1.137 182 Y CA 1.394 59.438 58.100 -0.093 0.000 1.181 182 Y CB -0.131 38.280 38.460 -0.083 0.000 0.989 182 Y HN 0.294 nan 8.280 nan 0.000 0.527 183 S N -0.287 115.434 115.700 0.035 0.000 2.474 183 S HA -0.119 4.351 4.470 -0.000 0.000 0.235 183 S C 1.493 176.019 174.600 -0.123 0.000 0.997 183 S CA 1.002 59.177 58.200 -0.043 0.000 0.949 183 S CB -0.619 62.569 63.200 -0.019 0.000 0.766 183 S HN 0.496 nan 8.310 nan 0.000 0.517 184 L N -0.355 120.769 121.223 -0.164 0.000 2.513 184 L HA 0.343 4.683 4.340 -0.000 0.000 0.222 184 L C 0.965 177.709 176.870 -0.209 0.000 1.096 184 L CA -0.204 54.541 54.840 -0.158 0.000 0.857 184 L CB -0.191 41.778 42.059 -0.151 0.000 1.026 184 L HN 0.117 nan 8.230 nan 0.000 0.469 185 K N 1.623 121.805 120.400 -0.364 0.000 2.451 185 K HA 0.032 4.352 4.320 -0.000 0.000 0.280 185 K C -0.178 176.119 176.600 -0.506 0.000 1.020 185 K CA 0.461 56.248 56.287 -0.833 0.000 1.008 185 K CB 0.452 32.501 32.500 -0.753 0.000 0.917 185 K HN -0.084 nan 8.250 nan 0.000 0.478 186 Q N 4.315 123.784 119.800 -0.551 0.000 2.248 186 Q HA 0.284 4.624 4.340 -0.000 0.000 0.263 186 Q C -1.822 174.010 176.000 -0.280 0.000 1.007 186 Q CA -2.228 53.367 55.803 -0.348 0.000 0.877 186 Q CB 0.909 29.443 28.738 -0.339 0.000 1.315 186 Q HN 0.443 nan 8.270 nan 0.000 0.454 187 P HA -0.137 nan 4.420 nan 0.000 0.220 187 P C 0.379 177.621 177.300 -0.097 0.000 1.148 187 P CA 1.232 64.259 63.100 -0.122 0.000 0.803 187 P CB 0.265 31.914 31.700 -0.085 0.000 0.782 188 D N -1.874 118.463 120.400 -0.104 0.000 2.349 188 D HA 0.065 4.705 4.640 -0.000 0.000 0.224 188 D C 1.437 177.720 176.300 -0.028 0.000 1.029 188 D CA 0.686 54.673 54.000 -0.022 0.000 0.879 188 D CB -0.806 40.030 40.800 0.059 0.000 0.906 188 D HN 0.233 nan 8.370 nan 0.000 0.528 189 G N -0.097 108.608 108.800 -0.157 0.000 2.234 189 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.235 189 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.235 189 G C 0.510 175.226 174.900 -0.306 0.000 0.997 189 G CA 0.368 45.391 45.100 -0.129 0.000 0.623 189 G HN 0.813 nan 8.290 nan 0.000 0.514 190 S N -0.342 114.960 115.700 -0.662 0.000 2.661 190 S HA 0.836 5.305 4.470 -0.000 0.000 0.265 190 S C -0.291 173.965 174.600 -0.574 0.000 1.225 190 S CA -0.395 57.275 58.200 -0.884 0.000 0.986 190 S CB 1.483 63.696 63.200 -1.646 0.000 1.008 190 S HN 0.583 nan 8.310 nan 0.000 0.565 191 F N -0.676 119.003 119.950 -0.451 0.000 2.588 191 F HA 0.546 5.073 4.527 -0.000 0.000 0.314 191 F C -0.080 175.557 175.800 -0.272 0.000 1.069 191 F CA -1.052 56.773 58.000 -0.292 0.000 0.931 191 F CB 1.514 40.391 39.000 -0.204 0.000 1.260 191 F HN 0.460 nan 8.300 nan 0.000 0.465 192 L N 2.778 123.969 121.223 -0.054 0.000 2.456 192 L HA 0.214 4.554 4.340 -0.000 0.000 0.257 192 L C 1.185 178.004 176.870 -0.086 0.000 1.162 192 L CA -0.722 54.050 54.840 -0.113 0.000 0.808 192 L CB 0.505 42.463 42.059 -0.168 0.000 1.136 192 L HN 0.649 nan 8.230 nan 0.000 0.466 193 M N -0.067 119.465 119.600 -0.114 0.000 2.288 193 M HA 0.030 4.510 4.480 -0.000 0.000 0.266 193 M C 0.336 176.532 176.300 -0.173 0.000 1.072 193 M CA 1.182 56.395 55.300 -0.144 0.000 1.132 193 M CB -0.919 31.600 32.600 -0.135 0.000 1.386 193 M HN 0.793 nan 8.290 nan 0.000 0.432 194 H N -4.806 114.148 119.070 -0.193 0.000 2.950 194 H HA 0.463 5.019 4.556 -0.000 0.000 0.307 194 H C -0.960 174.359 175.328 -0.015 0.000 1.403 194 H CA -1.201 54.825 56.048 -0.037 0.000 1.145 194 H CB 0.570 30.346 29.762 0.023 0.000 1.844 194 H HN -0.257 nan 8.280 nan 0.000 0.515 195 V N 1.761 121.701 119.914 0.044 0.000 2.509 195 V HA 0.262 4.382 4.120 -0.000 0.000 0.297 195 V C 1.535 177.524 176.094 -0.175 0.000 1.014 195 V CA 1.780 64.038 62.300 -0.071 0.000 1.127 195 V CB 0.060 31.873 31.823 -0.016 0.000 0.925 195 V HN 1.371 nan 8.190 nan 0.000 0.480 196 G N 3.644 112.318 108.800 -0.210 0.000 2.148 196 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.254 196 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.254 196 G C 0.481 175.192 174.900 -0.315 0.000 0.981 196 G CA 0.104 45.095 45.100 -0.182 0.000 0.670 196 G HN 1.306 nan 8.290 nan 0.000 0.528 197 G N -0.595 107.837 108.800 -0.613 0.000 2.568 197 G HA2 0.670 4.630 3.960 -0.000 0.000 0.293 197 G HA3 0.670 4.630 3.960 -0.000 0.000 0.293 197 G C 0.245 175.000 174.900 -0.243 0.000 1.347 197 G CA 0.215 44.914 45.100 -0.668 0.000 1.039 197 G HN 0.662 nan 8.290 nan 0.000 0.523 198 E N -1.087 119.055 120.200 -0.096 0.000 2.345 198 E HA 0.404 4.754 4.350 -0.000 0.000 0.259 198 E C -1.040 175.538 176.600 -0.037 0.000 1.117 198 E CA -0.477 55.907 56.400 -0.026 0.000 0.913 198 E CB 1.515 31.245 29.700 0.050 0.000 1.057 198 E HN 0.098 nan 8.360 nan 0.000 0.432 199 V N 1.777 121.676 119.914 -0.025 0.000 2.540 199 V HA 0.401 4.521 4.120 -0.000 0.000 0.302 199 V C -0.775 175.335 176.094 0.027 0.000 1.035 199 V CA -0.356 61.917 62.300 -0.045 0.000 0.873 199 V CB 1.258 33.019 31.823 -0.102 0.000 0.992 199 V HN 0.944 nan 8.190 nan 0.000 0.428 200 D N 2.448 122.881 120.400 0.055 0.000 2.725 200 D HA 0.144 4.784 4.640 -0.000 0.000 0.292 200 D C 0.221 176.663 176.300 0.237 0.000 1.288 200 D CA -0.600 53.486 54.000 0.144 0.000 0.784 200 D CB 1.666 42.444 40.800 -0.038 0.000 1.308 200 D HN 0.108 nan 8.370 nan 0.000 0.429 201 V N 0.470 120.567 119.914 0.305 0.000 2.828 201 V HA -0.192 3.928 4.120 -0.000 0.000 0.260 201 V C 2.053 178.326 176.094 0.299 0.000 1.101 201 V CA 1.884 64.414 62.300 0.383 0.000 1.123 201 V CB -0.689 31.293 31.823 0.265 0.000 0.704 201 V HN 0.548 nan 8.190 nan 0.000 0.493 202 R N 0.471 121.152 120.500 0.301 0.000 2.105 202 R HA -0.149 4.191 4.340 -0.000 0.000 0.239 202 R C 2.580 179.002 176.300 0.204 0.000 1.135 202 R CA 1.728 57.990 56.100 0.271 0.000 0.967 202 R CB -0.547 29.913 30.300 0.268 0.000 0.861 202 R HN 0.773 nan 8.270 nan 0.000 0.442 203 S N 0.693 116.477 115.700 0.139 0.000 2.368 203 S HA -0.120 4.350 4.470 -0.000 0.000 0.225 203 S C 2.254 176.817 174.600 -0.062 0.000 1.030 203 S CA 0.981 59.203 58.200 0.038 0.000 0.999 203 S CB -0.257 62.959 63.200 0.026 0.000 0.844 203 S HN 0.370 nan 8.310 nan 0.000 0.459 204 A N 1.019 123.860 122.820 0.036 0.000 1.877 204 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 204 A C 2.116 179.683 177.584 -0.028 0.000 1.186 204 A CA 1.677 53.728 52.037 0.024 0.000 0.620 204 A CB -1.343 17.774 19.000 0.196 0.000 0.822 204 A HN 0.685 nan 8.150 nan 0.000 0.443 205 Y N 0.248 120.516 120.300 -0.054 0.000 2.145 205 Y HA -0.255 4.295 4.550 -0.000 0.000 0.286 205 Y C 2.597 178.459 175.900 -0.063 0.000 1.145 205 Y CA 1.394 59.449 58.100 -0.075 0.000 1.148 205 Y CB -0.945 37.494 38.460 -0.035 0.000 0.981 205 Y HN 0.377 nan 8.280 nan 0.000 0.507 206 C N 0.570 119.745 119.300 -0.209 0.000 2.413 206 C HA -0.165 4.295 4.460 -0.000 0.000 0.276 206 C C 3.076 177.974 174.990 -0.154 0.000 1.248 206 C CA 1.283 60.175 59.018 -0.210 0.000 1.742 206 C CB -1.829 25.912 27.740 0.001 0.000 2.017 206 C HN 0.744 nan 8.230 nan 0.000 0.481 207 A N 0.508 123.200 122.820 -0.213 0.000 1.858 207 A HA 0.077 4.397 4.320 -0.000 0.000 0.216 207 A C 2.387 179.954 177.584 -0.029 0.000 1.190 207 A CA 2.129 54.030 52.037 -0.226 0.000 0.617 207 A CB -1.042 17.551 19.000 -0.677 0.000 0.827 207 A HN 0.575 nan 8.150 nan 0.000 0.443 208 A N -0.907 121.812 122.820 -0.168 0.000 1.933 208 A HA -0.098 4.221 4.320 -0.000 0.000 0.218 208 A C 2.474 179.980 177.584 -0.131 0.000 1.175 208 A CA 2.203 54.054 52.037 -0.309 0.000 0.628 208 A CB -0.968 17.698 19.000 -0.556 0.000 0.814 208 A HN 0.552 nan 8.150 nan 0.000 0.444 209 S N -0.386 115.204 115.700 -0.183 0.000 2.343 209 S HA -0.173 4.297 4.470 -0.000 0.000 0.219 209 S C 2.111 176.759 174.600 0.079 0.000 1.033 209 S CA 2.404 60.595 58.200 -0.015 0.000 1.014 209 S CB -0.849 62.275 63.200 -0.127 0.000 0.915 209 S HN 0.997 nan 8.310 nan 0.000 0.435 210 V N 0.608 120.521 119.914 -0.002 0.000 2.358 210 V HA 0.092 4.212 4.120 -0.000 0.000 0.246 210 V C 2.541 178.604 176.094 -0.052 0.000 1.047 210 V CA 1.724 63.997 62.300 -0.046 0.000 1.035 210 V CB -1.717 30.087 31.823 -0.031 0.000 0.658 210 V HN 0.515 nan 8.190 nan 0.000 0.452 211 A N 1.639 124.465 122.820 0.009 0.000 1.933 211 A HA -0.141 4.178 4.320 -0.000 0.000 0.218 211 A C 2.589 180.192 177.584 0.031 0.000 1.175 211 A CA 2.623 54.679 52.037 0.032 0.000 0.628 211 A CB -1.002 18.095 19.000 0.160 0.000 0.814 211 A HN 0.930 nan 8.150 nan 0.000 0.444 212 S N 0.076 115.814 115.700 0.063 0.000 2.357 212 S HA -0.061 4.409 4.470 -0.000 0.000 0.221 212 S C 1.917 176.520 174.600 0.005 0.000 1.031 212 S CA 1.306 59.548 58.200 0.070 0.000 0.982 212 S CB -0.796 62.485 63.200 0.134 0.000 0.853 212 S HN 0.421 nan 8.310 nan 0.000 0.458 213 L N 1.991 123.184 121.223 -0.051 0.000 2.012 213 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 213 L C 3.023 179.761 176.870 -0.220 0.000 1.073 213 L CA 1.722 56.464 54.840 -0.164 0.000 0.748 213 L CB -1.222 40.691 42.059 -0.242 0.000 0.891 213 L HN 0.606 nan 8.230 nan 0.000 0.431 214 T N -3.909 110.406 114.554 -0.397 0.000 3.148 214 T HA 0.006 4.356 4.350 -0.000 0.000 0.253 214 T C 0.863 175.355 174.700 -0.346 0.000 1.134 214 T CA 0.298 61.916 62.100 -0.803 0.000 1.051 214 T CB -0.405 68.011 68.868 -0.754 0.000 0.959 214 T HN 0.371 nan 8.240 nan 0.000 0.525 215 N N 1.138 119.764 118.700 -0.123 0.000 2.708 215 N HA -0.172 4.568 4.740 -0.000 0.000 0.255 215 N C 0.217 175.709 175.510 -0.031 0.000 1.046 215 N CA 0.892 53.925 53.050 -0.027 0.000 0.715 215 N CB -1.889 36.613 38.487 0.025 0.000 0.895 215 N HN 0.907 nan 8.380 nan 0.000 0.545 216 I N -2.676 117.875 120.570 -0.032 0.000 4.102 216 I HA 0.375 4.544 4.170 -0.000 0.000 0.325 216 I C 0.100 176.214 176.117 -0.005 0.000 1.471 216 I CA -0.623 60.665 61.300 -0.019 0.000 1.133 216 I CB 0.147 38.120 38.000 -0.044 0.000 1.184 216 I HN 0.037 nan 8.210 nan 0.000 0.451 217 I N 4.250 124.840 120.570 0.033 0.000 2.483 217 I HA 0.059 4.229 4.170 -0.000 0.000 0.291 217 I C 1.022 177.168 176.117 0.049 0.000 1.112 217 I CA 0.232 61.570 61.300 0.063 0.000 1.350 217 I CB 0.422 38.527 38.000 0.176 0.000 1.419 217 I HN 0.358 nan 8.210 nan 0.000 0.523 218 T N 4.290 118.852 114.554 0.015 0.000 2.847 218 T HA 0.285 4.635 4.350 -0.000 0.000 0.279 218 T C -1.064 173.677 174.700 0.068 0.000 0.984 218 T CA -1.568 60.571 62.100 0.065 0.000 0.988 218 T CB 1.147 70.092 68.868 0.128 0.000 1.040 218 T HN 0.408 nan 8.240 nan 0.000 0.528 219 P HA -0.090 nan 4.420 nan 0.000 0.219 219 P C 0.680 178.027 177.300 0.079 0.000 1.146 219 P CA 1.332 64.479 63.100 0.078 0.000 0.808 219 P CB 0.058 31.797 31.700 0.066 0.000 0.779 220 D N -1.434 119.014 120.400 0.080 0.000 2.441 220 D HA -0.024 4.616 4.640 -0.000 0.000 0.210 220 D C 1.835 178.149 176.300 0.022 0.000 1.102 220 D CA -0.268 53.775 54.000 0.072 0.000 0.840 220 D CB -0.914 39.935 40.800 0.082 0.000 0.990 220 D HN -0.016 nan 8.370 nan 0.000 0.505 221 L N 0.276 121.441 121.223 -0.097 0.000 2.021 221 L HA -0.086 4.254 4.340 -0.000 0.000 0.215 221 L C 1.102 177.688 176.870 -0.473 0.000 1.074 221 L CA 1.756 56.313 54.840 -0.471 0.000 0.760 221 L CB -0.708 40.870 42.059 -0.801 0.000 0.889 221 L HN -0.013 nan 8.230 nan 0.000 0.433 222 F N -0.729 119.260 119.950 0.065 0.000 2.730 222 F HA 0.258 4.785 4.527 -0.000 0.000 0.295 222 F C 0.759 176.601 175.800 0.070 0.000 1.143 222 F CA -0.719 57.348 58.000 0.111 0.000 1.367 222 F CB -0.212 38.850 39.000 0.104 0.000 0.970 222 F HN -0.011 nan 8.300 nan 0.000 0.514 223 E N 0.558 120.833 120.200 0.125 0.000 2.415 223 E HA 0.288 4.638 4.350 -0.000 0.000 0.260 223 E C 1.226 177.875 176.600 0.082 0.000 1.016 223 E CA 1.100 57.553 56.400 0.089 0.000 0.924 223 E CB 0.352 30.075 29.700 0.038 0.000 0.961 223 E HN 0.505 nan 8.360 nan 0.000 0.459 224 G N 3.191 112.052 108.800 0.102 0.000 2.184 224 G HA2 -0.370 3.589 3.960 -0.000 0.000 0.264 224 G HA3 -0.370 3.589 3.960 -0.000 0.000 0.264 224 G C 1.214 176.215 174.900 0.168 0.000 0.975 224 G CA 0.804 45.968 45.100 0.107 0.000 0.642 224 G HN 0.607 nan 8.290 nan 0.000 0.536 225 T N 0.767 115.448 114.554 0.212 0.000 2.777 225 T HA 0.182 4.532 4.350 -0.000 0.000 0.266 225 T C 2.787 177.648 174.700 0.269 0.000 1.040 225 T CA 2.236 64.511 62.100 0.293 0.000 1.141 225 T CB -0.385 68.745 68.868 0.437 0.000 0.868 225 T HN 1.153 nan 8.240 nan 0.000 0.444 226 A N 1.512 124.439 122.820 0.178 0.000 1.933 226 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 226 A C 2.214 179.862 177.584 0.107 0.000 1.175 226 A CA 1.620 53.725 52.037 0.114 0.000 0.628 226 A CB -0.481 18.562 19.000 0.071 0.000 0.814 226 A HN 0.409 nan 8.150 nan 0.000 0.444 227 E N -1.395 118.878 120.200 0.122 0.000 2.072 227 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 227 E C 1.567 178.223 176.600 0.094 0.000 0.985 227 E CA 1.192 57.644 56.400 0.087 0.000 0.801 227 E CB -0.380 29.372 29.700 0.086 0.000 0.750 227 E HN 0.824 nan 8.360 nan 0.000 0.452 228 W N 1.003 122.309 121.300 0.011 0.000 2.355 228 W HA -0.137 4.523 4.660 -0.000 0.000 0.309 228 W C 1.728 178.242 176.519 -0.007 0.000 1.206 228 W CA 1.561 58.907 57.345 0.003 0.000 1.284 228 W CB -0.210 29.260 29.460 0.017 0.000 1.145 228 W HN -0.012 nan 8.180 nan 0.000 0.502 229 I N 0.656 121.334 120.570 0.180 0.000 2.208 229 I HA -0.333 3.837 4.170 -0.000 0.000 0.245 229 I C 2.591 178.602 176.117 -0.176 0.000 1.097 229 I CA 1.499 62.796 61.300 -0.006 0.000 1.363 229 I CB -1.097 36.969 38.000 0.110 0.000 1.051 229 I HN 0.092 nan 8.210 nan 0.000 0.413 230 A N 0.738 123.493 122.820 -0.108 0.000 1.978 230 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 230 A C 2.344 179.815 177.584 -0.187 0.000 1.170 230 A CA 1.338 53.302 52.037 -0.121 0.000 0.636 230 A CB -0.546 18.416 19.000 -0.062 0.000 0.810 230 A HN 0.338 nan 8.150 nan 0.000 0.448 231 R N -0.991 119.351 120.500 -0.263 0.000 2.237 231 R HA -0.093 4.247 4.340 -0.000 0.000 0.219 231 R C 1.781 177.861 176.300 -0.367 0.000 1.080 231 R CA 1.229 57.148 56.100 -0.302 0.000 0.995 231 R CB -0.609 29.476 30.300 -0.359 0.000 0.875 231 R HN 0.623 nan 8.270 nan 0.000 0.462 232 C N 0.458 119.482 119.300 -0.460 0.000 2.468 232 C HA -0.010 4.450 4.460 -0.000 0.000 0.277 232 C C 1.457 176.261 174.990 -0.310 0.000 1.400 232 C CA -0.309 58.450 59.018 -0.432 0.000 1.770 232 C CB -0.790 26.654 27.740 -0.493 0.000 1.905 232 C HN 0.453 nan 8.230 nan 0.000 0.519 233 Q N 2.698 122.340 119.800 -0.264 0.000 2.289 233 Q HA 0.133 4.473 4.340 -0.000 0.000 0.273 233 Q C 0.180 176.047 176.000 -0.222 0.000 1.029 233 Q CA 0.286 55.939 55.803 -0.251 0.000 0.896 233 Q CB 0.530 29.151 28.738 -0.195 0.000 1.182 233 Q HN 0.717 nan 8.270 nan 0.000 0.385 234 N N 3.628 122.161 118.700 -0.278 0.000 2.813 234 N HA 0.131 4.871 4.740 -0.000 0.000 0.320 234 N C 0.790 176.192 175.510 -0.180 0.000 1.315 234 N CA -0.593 52.336 53.050 -0.202 0.000 0.871 234 N CB -0.395 37.947 38.487 -0.243 0.000 1.241 234 N HN 0.861 nan 8.380 nan 0.000 0.602 235 W N -0.575 120.670 121.300 -0.091 0.000 2.387 235 W HA -0.039 4.621 4.660 -0.000 0.000 0.272 235 W C 0.404 176.900 176.519 -0.039 0.000 1.224 235 W CA 0.814 58.126 57.345 -0.054 0.000 1.210 235 W CB -0.869 28.572 29.460 -0.033 0.000 1.125 235 W HN 0.575 nan 8.180 nan 0.000 0.572 236 E N 0.181 119.908 120.200 -0.788 0.000 2.285 236 E HA 0.128 4.478 4.350 -0.000 0.000 0.194 236 E C 2.127 178.538 176.600 -0.315 0.000 0.997 236 E CA 0.927 56.922 56.400 -0.675 0.000 0.845 236 E CB -0.297 28.826 29.700 -0.961 0.000 0.782 236 E HN 0.430 nan 8.360 nan 0.000 0.491 237 G N 0.652 109.234 108.800 -0.363 0.000 2.284 237 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.216 237 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.216 237 G C 0.596 175.227 174.900 -0.449 0.000 1.009 237 G CA -0.238 44.727 45.100 -0.226 0.000 0.625 237 G HN 0.520 nan 8.290 nan 0.000 0.501 238 G N -0.328 107.824 108.800 -1.080 0.000 2.535 238 G HA2 0.625 4.585 3.960 -0.000 0.000 0.282 238 G HA3 0.625 4.585 3.960 -0.000 0.000 0.282 238 G C -0.187 174.209 174.900 -0.839 0.000 1.350 238 G CA -0.472 43.742 45.100 -1.477 0.000 1.039 238 G HN 0.673 nan 8.290 nan 0.000 0.509 239 I N 0.104 120.270 120.570 -0.672 0.000 2.474 239 I HA 0.473 4.643 4.170 -0.000 0.000 0.294 239 I C 0.779 176.743 176.117 -0.254 0.000 1.005 239 I CA -0.722 60.355 61.300 -0.372 0.000 1.113 239 I CB 2.086 39.946 38.000 -0.234 0.000 1.289 239 I HN 0.586 nan 8.210 nan 0.000 0.436 240 G N 2.520 111.174 108.800 -0.244 0.000 2.521 240 G HA2 0.436 4.396 3.960 -0.000 0.000 0.323 240 G HA3 0.436 4.396 3.960 -0.000 0.000 0.323 240 G C 0.871 175.563 174.900 -0.347 0.000 1.211 240 G CA -0.195 44.785 45.100 -0.199 0.000 0.979 240 G HN 0.781 nan 8.290 nan 0.000 0.490 241 G N -1.389 107.000 108.800 -0.684 0.000 2.422 241 G HA2 0.217 4.177 3.960 -0.000 0.000 0.218 241 G HA3 0.217 4.177 3.960 -0.000 0.000 0.218 241 G C 0.650 175.277 174.900 -0.454 0.000 1.146 241 G CA 1.898 46.301 45.100 -1.162 0.000 0.769 241 G HN 1.491 nan 8.290 nan 0.000 0.547 242 V N -4.746 114.975 119.914 -0.322 0.000 3.114 242 V HA 0.651 4.771 4.120 -0.000 0.000 0.308 242 V C -3.019 172.906 176.094 -0.282 0.000 1.168 242 V CA -3.064 59.116 62.300 -0.201 0.000 1.015 242 V CB 1.789 33.609 31.823 -0.005 0.000 1.050 242 V HN -0.143 nan 8.190 nan 0.000 0.433 243 P HA 0.313 nan 4.420 nan 0.000 0.260 243 P C 1.003 178.214 177.300 -0.148 0.000 1.172 243 P CA 2.274 65.206 63.100 -0.282 0.000 0.760 243 P CB 0.547 32.080 31.700 -0.278 0.000 0.773 244 G N 2.098 110.828 108.800 -0.116 0.000 2.258 244 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.233 244 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.233 244 G C 0.229 175.115 174.900 -0.022 0.000 1.006 244 G CA -0.432 44.642 45.100 -0.043 0.000 0.620 244 G HN 0.402 nan 8.290 nan 0.000 0.511 245 M N 1.495 121.049 119.600 -0.076 0.000 2.255 245 M HA 0.379 4.859 4.480 -0.000 0.000 0.336 245 M C 0.785 177.047 176.300 -0.063 0.000 1.135 245 M CA -0.811 54.452 55.300 -0.061 0.000 1.145 245 M CB 0.853 33.387 32.600 -0.109 0.000 1.473 245 M HN 0.413 nan 8.290 nan 0.000 0.462 246 E N 1.322 121.519 120.200 -0.005 0.000 2.481 246 E HA 0.180 4.530 4.350 -0.000 0.000 0.263 246 E C -0.610 175.948 176.600 -0.070 0.000 0.992 246 E CA -0.301 56.090 56.400 -0.015 0.000 0.938 246 E CB 0.672 30.417 29.700 0.075 0.000 0.933 246 E HN 0.701 nan 8.360 nan 0.000 0.453 247 A N 5.033 127.722 122.820 -0.218 0.000 2.520 247 A HA 0.052 4.371 4.320 -0.000 0.000 0.245 247 A C -0.406 177.199 177.584 0.036 0.000 1.072 247 A CA 0.188 52.008 52.037 -0.363 0.000 0.761 247 A CB 0.249 18.702 19.000 -0.911 0.000 1.004 247 A HN 0.701 nan 8.150 nan 0.000 0.499 248 H N 1.819 120.862 119.070 -0.045 0.000 2.856 248 H HA 0.369 4.925 4.556 -0.000 0.000 0.355 248 H C 1.131 176.583 175.328 0.207 0.000 1.079 248 H CA 0.137 56.283 56.048 0.164 0.000 1.240 248 H CB 1.685 31.579 29.762 0.219 0.000 1.701 248 H HN 0.662 nan 8.280 nan 0.000 0.527 249 G N 2.655 111.502 108.800 0.079 0.000 2.469 249 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 249 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 249 G C 1.495 176.538 174.900 0.237 0.000 1.150 249 G CA 0.871 46.093 45.100 0.204 0.000 0.763 249 G HN 0.674 nan 8.290 nan 0.000 0.561 250 G N -0.212 108.667 108.800 0.131 0.000 2.418 250 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.217 250 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.217 250 G C 1.625 176.399 174.900 -0.211 0.000 1.158 250 G CA 0.859 45.745 45.100 -0.356 0.000 0.771 250 G HN 0.524 nan 8.290 nan 0.000 0.545 251 Y N 0.866 121.239 120.300 0.122 0.000 2.314 251 Y HA -0.067 4.482 4.550 -0.000 0.000 0.293 251 Y C 3.330 179.219 175.900 -0.019 0.000 1.129 251 Y CA 1.182 59.277 58.100 -0.009 0.000 1.201 251 Y CB -0.217 38.204 38.460 -0.065 0.000 0.999 251 Y HN 0.113 nan 8.280 nan 0.000 0.541 252 T N 0.521 115.167 114.554 0.154 0.000 2.708 252 T HA -0.223 4.127 4.350 -0.000 0.000 0.266 252 T C 1.560 176.273 174.700 0.022 0.000 1.037 252 T CA 1.468 63.588 62.100 0.033 0.000 1.146 252 T CB -0.666 68.219 68.868 0.029 0.000 0.865 252 T HN 0.329 nan 8.240 nan 0.000 0.435 253 F N 1.499 121.451 119.950 0.003 0.000 2.095 253 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 253 F C 2.479 178.182 175.800 -0.161 0.000 1.104 253 F CA 0.838 58.815 58.000 -0.038 0.000 1.232 253 F CB -0.809 38.260 39.000 0.114 0.000 0.987 253 F HN 0.158 nan 8.300 nan 0.000 0.475 254 C N 0.769 119.964 119.300 -0.175 0.000 2.413 254 C HA -0.134 4.326 4.460 -0.000 0.000 0.276 254 C C 3.095 177.975 174.990 -0.184 0.000 1.248 254 C CA 1.314 60.152 59.018 -0.300 0.000 1.742 254 C CB -1.959 25.789 27.740 0.013 0.000 2.017 254 C HN 0.749 nan 8.230 nan 0.000 0.481 255 G N -0.017 108.727 108.800 -0.093 0.000 2.414 255 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.215 255 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.215 255 G C 1.487 176.312 174.900 -0.125 0.000 1.188 255 G CA 0.962 46.025 45.100 -0.062 0.000 0.783 255 G HN 0.429 nan 8.290 nan 0.000 0.537 256 L N 1.529 122.636 121.223 -0.193 0.000 1.994 256 L HA 0.121 4.460 4.340 -0.000 0.000 0.208 256 L C 3.130 179.850 176.870 -0.249 0.000 1.071 256 L CA 2.303 57.026 54.840 -0.196 0.000 0.745 256 L CB -0.944 41.003 42.059 -0.187 0.000 0.892 256 L HN 0.256 nan 8.230 nan 0.000 0.431 257 A N -0.515 122.027 122.820 -0.463 0.000 1.917 257 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 257 A C 2.442 179.952 177.584 -0.125 0.000 1.182 257 A CA 2.223 54.015 52.037 -0.409 0.000 0.633 257 A CB -1.253 17.243 19.000 -0.840 0.000 0.819 257 A HN 0.616 nan 8.150 nan 0.000 0.448 258 A N -0.462 122.331 122.820 -0.044 0.000 1.898 258 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 258 A C 2.169 179.695 177.584 -0.097 0.000 1.181 258 A CA 1.442 53.468 52.037 -0.018 0.000 0.620 258 A CB -0.578 18.438 19.000 0.027 0.000 0.819 258 A HN 0.473 nan 8.150 nan 0.000 0.442 259 L N -0.528 120.648 121.223 -0.079 0.000 2.083 259 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 259 L C 2.495 179.329 176.870 -0.060 0.000 1.083 259 L CA 0.861 55.662 54.840 -0.064 0.000 0.752 259 L CB -0.456 41.573 42.059 -0.049 0.000 0.899 259 L HN 0.250 nan 8.230 nan 0.000 0.433 260 V N 0.153 120.026 119.914 -0.069 0.000 2.358 260 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 260 V C 2.291 178.365 176.094 -0.033 0.000 1.047 260 V CA 1.734 64.010 62.300 -0.040 0.000 1.035 260 V CB -0.226 31.571 31.823 -0.043 0.000 0.658 260 V HN 0.315 nan 8.190 nan 0.000 0.452 261 I N -0.402 120.126 120.570 -0.070 0.000 2.226 261 I HA -0.237 3.932 4.170 -0.000 0.000 0.245 261 I C 2.038 178.111 176.117 -0.073 0.000 1.100 261 I CA 1.591 62.848 61.300 -0.070 0.000 1.374 261 I CB -0.210 37.710 38.000 -0.133 0.000 1.057 261 I HN 0.250 nan 8.210 nan 0.000 0.413 262 L N 0.324 121.478 121.223 -0.114 0.000 2.610 262 L HA -0.010 4.330 4.340 -0.000 0.000 0.232 262 L C 0.476 177.334 176.870 -0.021 0.000 1.149 262 L CA 0.316 55.101 54.840 -0.092 0.000 0.872 262 L CB -0.394 41.587 42.059 -0.131 0.000 0.992 262 L HN 0.220 nan 8.230 nan 0.000 0.447 263 K N 0.471 120.864 120.400 -0.011 0.000 3.162 263 K HA -0.166 4.154 4.320 -0.000 0.000 0.268 263 K C 0.045 176.651 176.600 0.011 0.000 1.062 263 K CA 0.344 56.638 56.287 0.011 0.000 0.769 263 K CB -0.961 31.555 32.500 0.026 0.000 1.274 263 K HN 0.192 nan 8.250 nan 0.000 0.478 264 K N 0.012 120.412 120.400 0.000 0.000 2.619 264 K HA 0.051 4.371 4.320 -0.000 0.000 0.201 264 K C 0.271 176.869 176.600 -0.003 0.000 1.090 264 K CA -0.026 56.264 56.287 0.005 0.000 1.063 264 K CB 0.885 33.391 32.500 0.010 0.000 0.810 264 K HN 0.173 nan 8.250 nan 0.000 0.506 265 E N 0.963 121.160 120.200 -0.006 0.000 2.171 265 E HA -0.158 4.192 4.350 -0.000 0.000 0.197 265 E C 1.480 178.076 176.600 -0.007 0.000 0.997 265 E CA 1.222 57.615 56.400 -0.012 0.000 0.810 265 E CB -0.124 29.573 29.700 -0.005 0.000 0.738 265 E HN 0.197 nan 8.360 nan 0.000 0.467 266 R N 0.474 120.975 120.500 0.001 0.000 2.241 266 R HA -0.001 4.339 4.340 -0.000 0.000 0.224 266 R C 1.931 178.230 176.300 -0.001 0.000 1.101 266 R CA 1.001 57.103 56.100 0.003 0.000 0.995 266 R CB -0.203 30.102 30.300 0.008 0.000 0.870 266 R HN 0.089 nan 8.270 nan 0.000 0.463 267 S N 0.842 116.540 115.700 -0.004 0.000 2.442 267 S HA -0.013 4.457 4.470 -0.000 0.000 0.236 267 S C 0.977 175.565 174.600 -0.020 0.000 1.007 267 S CA 0.675 58.870 58.200 -0.008 0.000 0.965 267 S CB -0.035 63.163 63.200 -0.005 0.000 0.773 267 S HN 0.172 nan 8.310 nan 0.000 0.504 268 L N 1.826 123.034 121.223 -0.025 0.000 2.416 268 L HA 0.363 4.703 4.340 -0.000 0.000 0.262 268 L C 0.532 177.389 176.870 -0.023 0.000 1.093 268 L CA -0.765 54.053 54.840 -0.036 0.000 0.801 268 L CB 0.267 42.298 42.059 -0.046 0.000 1.191 268 L HN 0.014 nan 8.230 nan 0.000 0.459 269 N N 1.648 120.332 118.700 -0.027 0.000 2.719 269 N HA 0.156 4.895 4.740 -0.000 0.000 0.243 269 N C 0.630 176.139 175.510 -0.001 0.000 1.104 269 N CA 0.011 53.055 53.050 -0.009 0.000 0.981 269 N CB 0.455 38.936 38.487 -0.009 0.000 1.290 269 N HN 0.582 nan 8.380 nan 0.000 0.513 270 L N 1.697 122.926 121.223 0.009 0.000 2.191 270 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 270 L C 2.383 179.280 176.870 0.045 0.000 1.103 270 L CA 0.907 55.761 54.840 0.024 0.000 0.769 270 L CB -0.219 41.857 42.059 0.028 0.000 0.908 270 L HN 0.519 nan 8.230 nan 0.000 0.438 271 K N 0.560 120.986 120.400 0.043 0.000 2.001 271 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 271 K C 2.386 179.027 176.600 0.068 0.000 1.048 271 K CA 1.860 58.180 56.287 0.056 0.000 0.932 271 K CB -0.020 32.508 32.500 0.047 0.000 0.715 271 K HN 0.366 nan 8.250 nan 0.000 0.437 272 S N 1.150 116.883 115.700 0.055 0.000 2.402 272 S HA -0.140 4.330 4.470 -0.000 0.000 0.229 272 S C 2.012 176.668 174.600 0.094 0.000 1.021 272 S CA 0.821 59.062 58.200 0.067 0.000 0.974 272 S CB -0.358 62.864 63.200 0.036 0.000 0.800 272 S HN 0.307 nan 8.310 nan 0.000 0.484 273 L N 1.467 122.730 121.223 0.066 0.000 1.994 273 L HA 0.147 4.487 4.340 -0.000 0.000 0.208 273 L C 2.260 179.250 176.870 0.199 0.000 1.071 273 L CA 1.710 56.609 54.840 0.098 0.000 0.745 273 L CB -1.292 40.788 42.059 0.035 0.000 0.892 273 L HN 0.421 nan 8.230 nan 0.000 0.431 274 L N -0.288 121.022 121.223 0.145 0.000 2.042 274 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 274 L C 2.601 179.568 176.870 0.161 0.000 1.076 274 L CA 2.239 57.171 54.840 0.153 0.000 0.749 274 L CB -0.763 41.372 42.059 0.128 0.000 0.893 274 L HN 0.596 nan 8.230 nan 0.000 0.432 275 Q N -1.819 118.072 119.800 0.152 0.000 2.167 275 Q HA -0.259 4.081 4.340 -0.000 0.000 0.202 275 Q C 2.046 178.138 176.000 0.153 0.000 0.970 275 Q CA 1.955 57.839 55.803 0.135 0.000 0.855 275 Q CB -0.435 28.373 28.738 0.117 0.000 0.911 275 Q HN 0.693 nan 8.270 nan 0.000 0.438 276 W N -0.418 120.886 121.300 0.007 0.000 2.408 276 W HA -0.167 4.492 4.660 -0.000 0.000 0.311 276 W C 1.958 178.484 176.519 0.011 0.000 1.190 276 W CA 1.441 58.776 57.345 -0.018 0.000 1.321 276 W CB -0.604 28.817 29.460 -0.065 0.000 1.143 276 W HN 0.024 nan 8.180 nan 0.000 0.501 277 V N 1.506 121.496 119.914 0.127 0.000 2.332 277 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 277 V C 2.498 178.564 176.094 -0.046 0.000 1.055 277 V CA 3.406 65.633 62.300 -0.122 0.000 1.038 277 V CB -1.213 30.682 31.823 0.119 0.000 0.651 277 V HN 0.492 nan 8.190 nan 0.000 0.450 278 T N -2.747 111.843 114.554 0.060 0.000 2.833 278 T HA -0.169 4.181 4.350 -0.000 0.000 0.269 278 T C 1.853 176.541 174.700 -0.020 0.000 1.054 278 T CA 1.864 64.025 62.100 0.102 0.000 1.135 278 T CB -0.680 68.263 68.868 0.126 0.000 0.869 278 T HN 0.478 nan 8.240 nan 0.000 0.466 279 S N 1.013 116.647 115.700 -0.109 0.000 2.515 279 S HA 0.088 4.557 4.470 -0.000 0.000 0.231 279 S C 1.940 176.381 174.600 -0.266 0.000 0.987 279 S CA 0.127 58.228 58.200 -0.165 0.000 0.936 279 S CB -0.199 62.907 63.200 -0.157 0.000 0.766 279 S HN 0.433 nan 8.310 nan 0.000 0.528 280 R N 1.211 121.512 120.500 -0.332 0.000 2.299 280 R HA 0.161 4.500 4.340 -0.000 0.000 0.197 280 R C 0.878 176.979 176.300 -0.331 0.000 0.971 280 R CA 0.090 55.994 56.100 -0.327 0.000 1.030 280 R CB -0.322 29.731 30.300 -0.412 0.000 0.932 280 R HN 0.510 nan 8.270 nan 0.000 0.477 281 Q N 0.989 120.439 119.800 -0.584 0.000 2.286 281 Q HA 0.145 4.485 4.340 -0.000 0.000 0.257 281 Q C -0.494 175.226 176.000 -0.467 0.000 0.941 281 Q CA -0.176 55.010 55.803 -1.028 0.000 0.912 281 Q CB 0.770 28.875 28.738 -1.054 0.000 1.192 281 Q HN -0.134 nan 8.270 nan 0.000 0.410 282 M N 4.453 123.819 119.600 -0.390 0.000 2.146 282 M HA 0.121 4.601 4.480 -0.000 0.000 0.352 282 M C 1.092 177.330 176.300 -0.104 0.000 1.343 282 M CA 0.303 55.487 55.300 -0.192 0.000 1.115 282 M CB 0.672 33.178 32.600 -0.157 0.000 1.657 282 M HN 0.729 nan 8.290 nan 0.000 0.471 283 R N 1.663 122.138 120.500 -0.041 0.000 2.105 283 R HA -0.175 4.165 4.340 -0.000 0.000 0.239 283 R C 1.484 177.817 176.300 0.053 0.000 1.135 283 R CA 1.673 57.777 56.100 0.007 0.000 0.967 283 R CB -0.489 29.811 30.300 0.001 0.000 0.861 283 R HN 0.552 nan 8.270 nan 0.000 0.442 284 F N 1.953 121.880 119.950 -0.037 0.000 2.164 284 F HA 0.108 4.635 4.527 -0.000 0.000 0.287 284 F C 1.826 177.834 175.800 0.347 0.000 1.086 284 F CA 1.239 59.262 58.000 0.038 0.000 1.249 284 F CB 0.027 39.040 39.000 0.022 0.000 1.059 284 F HN -0.094 nan 8.300 nan 0.000 0.490 285 E N 0.183 120.474 120.200 0.153 0.000 2.110 285 E HA 0.051 4.401 4.350 -0.000 0.000 0.193 285 E C 1.883 178.528 176.600 0.074 0.000 0.988 285 E CA 1.351 57.798 56.400 0.079 0.000 0.804 285 E CB -0.636 29.022 29.700 -0.070 0.000 0.745 285 E HN 0.633 nan 8.360 nan 0.000 0.458 286 G N -0.220 108.562 108.800 -0.029 0.000 2.268 286 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.240 286 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.240 286 G C 0.655 175.471 174.900 -0.139 0.000 1.010 286 G CA 0.049 45.135 45.100 -0.024 0.000 0.618 286 G HN 0.643 nan 8.290 nan 0.000 0.516 287 G N -0.661 107.884 108.800 -0.425 0.000 2.525 287 G HA2 0.602 4.562 3.960 -0.000 0.000 0.287 287 G HA3 0.602 4.562 3.960 -0.000 0.000 0.287 287 G C -0.493 174.211 174.900 -0.327 0.000 1.350 287 G CA -0.707 44.154 45.100 -0.399 0.000 1.039 287 G HN 0.288 nan 8.290 nan 0.000 0.513 288 F N -0.449 119.415 119.950 -0.145 0.000 2.470 288 F HA 0.403 4.930 4.527 -0.000 0.000 0.329 288 F C 0.751 176.489 175.800 -0.105 0.000 1.072 288 F CA -0.613 57.313 58.000 -0.124 0.000 0.989 288 F CB 2.115 41.057 39.000 -0.096 0.000 1.193 288 F HN 0.507 nan 8.300 nan 0.000 0.481 289 Q N 0.726 120.514 119.800 -0.020 0.000 2.215 289 Q HA 0.575 4.915 4.340 -0.000 0.000 0.256 289 Q C 0.408 176.118 176.000 -0.484 0.000 0.972 289 Q CA -0.601 55.110 55.803 -0.154 0.000 0.889 289 Q CB 1.808 30.451 28.738 -0.159 0.000 1.281 289 Q HN 0.817 nan 8.270 nan 0.000 0.456 290 G N 1.165 109.455 108.800 -0.849 0.000 2.453 290 G HA2 0.048 4.008 3.960 -0.000 0.000 0.215 290 G HA3 0.048 4.008 3.960 -0.000 0.000 0.215 290 G C 0.308 174.840 174.900 -0.615 0.000 1.147 290 G CA -0.011 44.224 45.100 -1.441 0.000 0.802 290 G HN 0.480 nan 8.290 nan 0.000 0.535 291 R N -1.803 118.509 120.500 -0.312 0.000 2.774 291 R HA 0.380 4.720 4.340 -0.000 0.000 0.272 291 R C -1.151 175.106 176.300 -0.072 0.000 1.000 291 R CA -0.853 55.207 56.100 -0.067 0.000 0.906 291 R CB 1.446 31.762 30.300 0.026 0.000 1.227 291 R HN 0.084 nan 8.270 nan 0.000 0.468 292 C N 2.315 121.615 119.300 -0.001 0.000 2.642 292 C HA 0.052 4.512 4.460 -0.000 0.000 0.420 292 C C 0.775 175.769 174.990 0.006 0.000 1.349 292 C CA 0.561 59.566 59.018 -0.023 0.000 1.821 292 C CB -0.969 26.793 27.740 0.036 0.000 2.637 292 C HN 0.959 nan 8.230 nan 0.000 0.605 293 N N 2.286 120.979 118.700 -0.011 0.000 2.782 293 N HA -0.140 4.600 4.740 -0.000 0.000 0.251 293 N C -0.536 174.979 175.510 0.007 0.000 1.101 293 N CA 1.329 54.383 53.050 0.007 0.000 0.764 293 N CB -0.829 37.678 38.487 0.034 0.000 1.122 293 N HN 0.812 nan 8.380 nan 0.000 0.561 294 K N -0.079 120.314 120.400 -0.012 0.000 2.313 294 K HA 0.576 4.895 4.320 -0.000 0.000 0.235 294 K C 0.549 177.145 176.600 -0.008 0.000 1.035 294 K CA -0.812 55.475 56.287 -0.000 0.000 0.868 294 K CB 1.250 33.750 32.500 0.001 0.000 1.232 294 K HN -0.071 nan 8.250 nan 0.000 0.459 295 L N 0.951 122.187 121.223 0.021 0.000 2.439 295 L HA 0.242 4.582 4.340 -0.000 0.000 0.261 295 L C 0.551 177.445 176.870 0.039 0.000 1.153 295 L CA -0.718 54.140 54.840 0.030 0.000 0.808 295 L CB 0.746 42.837 42.059 0.054 0.000 1.126 295 L HN 0.285 nan 8.230 nan 0.000 0.460 296 V N 1.226 121.151 119.914 0.018 0.000 2.963 296 V HA 0.103 4.223 4.120 -0.000 0.000 0.306 296 V C -0.440 175.732 176.094 0.130 0.000 1.077 296 V CA 0.471 62.768 62.300 -0.004 0.000 1.124 296 V CB 1.333 33.055 31.823 -0.169 0.000 0.987 296 V HN 0.891 nan 8.190 nan 0.000 0.487 297 D N 2.897 123.436 120.400 0.232 0.000 2.931 297 D HA 0.327 4.966 4.640 -0.000 0.000 0.215 297 D C 0.699 177.222 176.300 0.372 0.000 1.297 297 D CA 0.186 54.386 54.000 0.333 0.000 0.892 297 D CB 1.654 42.705 40.800 0.419 0.000 1.642 297 D HN 0.597 nan 8.370 nan 0.000 0.560 298 G N 1.763 110.794 108.800 0.385 0.000 2.475 298 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.220 298 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.220 298 G C 1.741 176.767 174.900 0.210 0.000 1.125 298 G CA 1.395 46.707 45.100 0.353 0.000 0.755 298 G HN 0.755 nan 8.290 nan 0.000 0.565 299 C N -1.587 117.802 119.300 0.148 0.000 2.432 299 C HA 0.132 4.591 4.460 -0.000 0.000 0.280 299 C C 2.322 177.185 174.990 -0.211 0.000 1.353 299 C CA 0.160 59.072 59.018 -0.177 0.000 1.766 299 C CB -1.590 25.884 27.740 -0.444 0.000 1.924 299 C HN 0.438 nan 8.230 nan 0.000 0.509 300 Y N 2.058 122.447 120.300 0.148 0.000 2.616 300 Y HA -0.034 4.516 4.550 -0.000 0.000 0.296 300 Y C 2.728 178.572 175.900 -0.094 0.000 1.154 300 Y CA 0.840 58.998 58.100 0.096 0.000 1.325 300 Y CB -0.269 38.263 38.460 0.119 0.000 1.007 300 Y HN 0.329 nan 8.280 nan 0.000 0.542 301 S N -0.128 115.629 115.700 0.095 0.000 2.419 301 S HA -0.189 4.280 4.470 -0.000 0.000 0.233 301 S C 1.546 176.040 174.600 -0.176 0.000 1.016 301 S CA 1.320 59.539 58.200 0.032 0.000 0.974 301 S CB -0.323 62.968 63.200 0.151 0.000 0.786 301 S HN 0.556 nan 8.310 nan 0.000 0.492 302 F N 0.280 120.038 119.950 -0.321 0.000 2.298 302 F HA 0.187 4.714 4.527 -0.000 0.000 0.282 302 F C 1.613 177.120 175.800 -0.488 0.000 1.045 302 F CA 0.163 57.892 58.000 -0.451 0.000 1.280 302 F CB -0.673 38.007 39.000 -0.534 0.000 1.114 302 F HN 0.145 nan 8.300 nan 0.000 0.546 303 W N 1.142 122.217 121.300 -0.376 0.000 2.321 303 W HA -0.247 4.413 4.660 -0.000 0.000 0.306 303 W C 2.400 178.724 176.519 -0.325 0.000 1.217 303 W CA 1.139 58.251 57.345 -0.388 0.000 1.257 303 W CB -0.555 28.877 29.460 -0.047 0.000 1.145 303 W HN 0.110 nan 8.180 nan 0.000 0.509 304 Q N -0.142 119.542 119.800 -0.194 0.000 2.036 304 Q HA 0.008 4.348 4.340 -0.000 0.000 0.195 304 Q C 2.489 177.971 176.000 -0.863 0.000 0.971 304 Q CA 1.498 57.003 55.803 -0.497 0.000 0.826 304 Q CB -1.359 26.939 28.738 -0.733 0.000 0.896 304 Q HN 0.296 nan 8.270 nan 0.000 0.449 305 A N 1.143 123.166 122.820 -1.327 0.000 2.024 305 A HA -0.082 4.238 4.320 -0.000 0.000 0.220 305 A C 2.229 179.335 177.584 -0.797 0.000 1.164 305 A CA 1.676 52.930 52.037 -1.305 0.000 0.643 305 A CB -1.005 17.150 19.000 -1.408 0.000 0.806 305 A HN 0.456 nan 8.150 nan 0.000 0.451 306 G N -0.378 107.969 108.800 -0.756 0.000 2.498 306 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.219 306 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.219 306 G C 1.413 176.134 174.900 -0.298 0.000 1.119 306 G CA 0.881 45.592 45.100 -0.650 0.000 0.766 306 G HN 0.472 nan 8.290 nan 0.000 0.552 307 L N -0.338 120.749 121.223 -0.228 0.000 2.141 307 L HA 0.051 4.390 4.340 -0.000 0.000 0.209 307 L C 2.770 179.572 176.870 -0.113 0.000 1.094 307 L CA 0.285 55.063 54.840 -0.103 0.000 0.763 307 L CB -0.284 41.756 42.059 -0.030 0.000 0.908 307 L HN 0.185 nan 8.230 nan 0.000 0.437 308 L N -0.288 120.838 121.223 -0.162 0.000 2.012 308 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 308 L C -0.219 176.569 176.870 -0.136 0.000 1.073 308 L CA 1.603 56.428 54.840 -0.024 0.000 0.748 308 L CB -1.650 40.525 42.059 0.192 0.000 0.891 308 L HN 0.199 nan 8.230 nan 0.000 0.431 309 P HA -0.147 nan 4.420 nan 0.000 0.217 309 P C 1.892 179.088 177.300 -0.174 0.000 1.150 309 P CA 1.242 63.862 63.100 -0.799 0.000 0.832 309 P CB 0.089 31.184 31.700 -1.007 0.000 0.787 310 L N -1.564 119.581 121.223 -0.130 0.000 2.027 310 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 310 L C 2.420 179.310 176.870 0.033 0.000 1.074 310 L CA 1.380 56.196 54.840 -0.040 0.000 0.745 310 L CB -0.993 41.017 42.059 -0.082 0.000 0.898 310 L HN -0.027 nan 8.230 nan 0.000 0.433 311 L N -1.053 120.203 121.223 0.055 0.000 2.093 311 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 311 L C 2.630 179.598 176.870 0.162 0.000 1.085 311 L CA 1.178 56.078 54.840 0.100 0.000 0.755 311 L CB -0.569 41.559 42.059 0.115 0.000 0.904 311 L HN 0.318 nan 8.230 nan 0.000 0.435 312 H N 0.093 119.261 119.070 0.165 0.000 2.321 312 H HA -0.205 4.351 4.556 -0.000 0.000 0.300 312 H C 2.499 177.952 175.328 0.208 0.000 1.087 312 H CA 1.930 58.131 56.048 0.256 0.000 1.319 312 H CB 0.111 30.149 29.762 0.460 0.000 1.379 312 H HN 0.061 nan 8.280 nan 0.000 0.501 313 R N 0.143 120.817 120.500 0.289 0.000 2.096 313 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 313 R C 2.269 178.661 176.300 0.154 0.000 1.127 313 R CA 1.230 57.461 56.100 0.218 0.000 0.968 313 R CB -0.379 30.016 30.300 0.157 0.000 0.861 313 R HN 0.428 nan 8.270 nan 0.000 0.440 314 A N 1.204 124.088 122.820 0.106 0.000 1.854 314 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 314 A C 2.240 179.862 177.584 0.064 0.000 1.192 314 A CA 0.995 53.076 52.037 0.072 0.000 0.611 314 A CB -0.554 18.475 19.000 0.047 0.000 0.832 314 A HN 0.328 nan 8.150 nan 0.000 0.442 315 L N -1.174 120.084 121.223 0.058 0.000 2.079 315 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 315 L C 2.715 179.610 176.870 0.042 0.000 1.081 315 L CA 1.734 56.597 54.840 0.039 0.000 0.752 315 L CB -0.722 41.356 42.059 0.033 0.000 0.896 315 L HN 0.631 nan 8.230 nan 0.000 0.433 316 H N 0.204 119.227 119.070 -0.078 0.000 2.387 316 H HA -0.141 4.415 4.556 -0.000 0.000 0.299 316 H C 2.111 177.437 175.328 -0.003 0.000 1.090 316 H CA 1.304 57.314 56.048 -0.063 0.000 1.332 316 H CB 0.395 30.111 29.762 -0.078 0.000 1.386 316 H HN 0.345 nan 8.280 nan 0.000 0.516 317 A N 0.712 123.551 122.820 0.032 0.000 2.070 317 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 317 A C 2.076 179.632 177.584 -0.047 0.000 1.159 317 A CA 1.170 53.197 52.037 -0.018 0.000 0.656 317 A CB -0.298 18.729 19.000 0.044 0.000 0.800 317 A HN 0.580 nan 8.150 nan 0.000 0.453 318 Q N -1.308 118.473 119.800 -0.032 0.000 2.280 318 Q HA 0.268 4.608 4.340 -0.000 0.000 0.202 318 Q C 0.887 176.859 176.000 -0.047 0.000 0.903 318 Q CA 0.221 56.008 55.803 -0.026 0.000 0.948 318 Q CB 0.076 28.812 28.738 -0.003 0.000 1.058 318 Q HN 0.815 nan 8.270 nan 0.000 0.493 319 G N 2.139 110.877 108.800 -0.103 0.000 2.198 319 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.260 319 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.260 319 G C -0.315 174.553 174.900 -0.053 0.000 1.025 319 G CA 0.245 45.280 45.100 -0.109 0.000 0.769 319 G HN 0.393 nan 8.290 nan 0.000 0.507 320 D N 0.610 120.993 120.400 -0.028 0.000 2.412 320 D HA 0.230 4.870 4.640 -0.000 0.000 0.257 320 D C 0.156 176.477 176.300 0.035 0.000 1.217 320 D CA -1.068 52.939 54.000 0.012 0.000 0.897 320 D CB 1.132 41.946 40.800 0.024 0.000 1.132 320 D HN 0.271 nan 8.370 nan 0.000 0.493 321 P HA 0.059 nan 4.420 nan 0.000 0.235 321 P C 0.615 177.946 177.300 0.053 0.000 1.177 321 P CA 0.134 63.261 63.100 0.044 0.000 0.785 321 P CB 0.436 32.153 31.700 0.028 0.000 0.885 322 A N -0.055 122.795 122.820 0.049 0.000 2.251 322 A HA 0.167 4.487 4.320 -0.000 0.000 0.209 322 A C 1.209 178.833 177.584 0.067 0.000 1.187 322 A CA -0.168 51.899 52.037 0.050 0.000 0.823 322 A CB -0.846 18.180 19.000 0.043 0.000 0.846 322 A HN 0.140 nan 8.150 nan 0.000 0.486 323 L N 1.298 122.571 121.223 0.085 0.000 2.499 323 L HA 0.058 4.398 4.340 -0.000 0.000 0.273 323 L C 1.109 178.072 176.870 0.155 0.000 1.195 323 L CA -0.257 54.656 54.840 0.122 0.000 0.882 323 L CB 0.710 42.801 42.059 0.053 0.000 1.133 323 L HN 0.319 nan 8.230 nan 0.000 0.483 324 S N 3.331 119.125 115.700 0.156 0.000 2.573 324 S HA 0.085 4.554 4.470 -0.000 0.000 0.277 324 S C 0.810 175.409 174.600 -0.001 0.000 1.346 324 S CA -0.329 57.888 58.200 0.028 0.000 1.034 324 S CB 0.554 63.725 63.200 -0.050 0.000 0.879 324 S HN 0.579 nan 8.310 nan 0.000 0.528 325 M N 3.206 122.698 119.600 -0.180 0.000 2.405 325 M HA 0.180 4.660 4.480 -0.000 0.000 0.292 325 M C 0.998 176.884 176.300 -0.690 0.000 1.111 325 M CA 0.177 55.351 55.300 -0.210 0.000 0.979 325 M CB -0.360 32.212 32.600 -0.047 0.000 1.426 325 M HN 0.836 nan 8.290 nan 0.000 0.509 326 S N -2.317 112.687 115.700 -1.161 0.000 2.661 326 S HA 0.243 4.713 4.470 -0.000 0.000 0.275 326 S C 0.102 173.656 174.600 -1.745 0.000 1.075 326 S CA -0.352 57.025 58.200 -1.372 0.000 1.251 326 S CB 0.623 63.316 63.200 -0.845 0.000 1.167 326 S HN 0.448 nan 8.310 nan 0.000 0.648 327 H N -0.971 117.276 119.070 -1.372 0.000 2.961 327 H HA 0.579 5.135 4.556 -0.000 0.000 0.371 327 H C -1.387 173.726 175.328 -0.358 0.000 1.190 327 H CA -0.768 54.836 56.048 -0.740 0.000 1.138 327 H CB 0.768 30.287 29.762 -0.404 0.000 1.816 327 H HN 0.302 nan 8.280 nan 0.000 0.551 328 W N 1.757 123.167 121.300 0.184 0.000 2.183 328 W HA 0.250 4.910 4.660 -0.000 0.000 0.348 328 W C 0.631 177.256 176.519 0.177 0.000 1.257 328 W CA -0.734 56.764 57.345 0.254 0.000 1.324 328 W CB 0.581 30.211 29.460 0.283 0.000 1.144 328 W HN 0.365 nan 8.180 nan 0.000 0.622 329 M N 3.241 123.194 119.600 0.589 0.000 3.435 329 M HA 0.142 4.622 4.480 -0.000 0.000 0.205 329 M C -1.098 175.478 176.300 0.460 0.000 1.324 329 M CA 0.363 55.902 55.300 0.398 0.000 1.455 329 M CB -0.975 31.825 32.600 0.333 0.000 1.240 329 M HN 0.309 nan 8.290 nan 0.000 0.477 330 F N -3.837 116.274 119.950 0.269 0.000 2.686 330 F HA 0.408 4.935 4.527 -0.000 0.000 0.311 330 F C -0.522 175.387 175.800 0.180 0.000 1.128 330 F CA -1.324 56.824 58.000 0.247 0.000 0.946 330 F CB 0.827 40.067 39.000 0.399 0.000 1.336 330 F HN -0.091 nan 8.300 nan 0.000 0.457 331 H N 2.927 122.088 119.070 0.152 0.000 3.224 331 H HA 0.154 4.710 4.556 -0.000 0.000 0.265 331 H C 0.668 175.953 175.328 -0.072 0.000 1.461 331 H CA 0.841 56.840 56.048 -0.083 0.000 1.509 331 H CB 0.819 30.487 29.762 -0.156 0.000 1.686 331 H HN 0.865 nan 8.280 nan 0.000 0.514 332 Q N 2.340 121.961 119.800 -0.299 0.000 2.096 332 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 332 Q C 2.192 178.240 176.000 0.080 0.000 0.982 332 Q CA 1.674 57.356 55.803 -0.202 0.000 0.850 332 Q CB 0.136 28.722 28.738 -0.253 0.000 0.901 332 Q HN 0.701 nan 8.270 nan 0.000 0.422 333 Q N 0.095 119.926 119.800 0.051 0.000 2.061 333 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 333 Q C 2.009 178.086 176.000 0.128 0.000 0.984 333 Q CA 1.517 57.371 55.803 0.085 0.000 0.846 333 Q CB -0.176 28.586 28.738 0.040 0.000 0.902 333 Q HN 0.396 nan 8.270 nan 0.000 0.421 334 A N 0.702 123.619 122.820 0.162 0.000 1.930 334 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 334 A C 1.972 179.651 177.584 0.158 0.000 1.175 334 A CA 1.217 53.240 52.037 -0.023 0.000 0.627 334 A CB -0.644 18.105 19.000 -0.418 0.000 0.815 334 A HN 0.489 nan 8.150 nan 0.000 0.443 335 L N -0.039 121.346 121.223 0.271 0.000 2.017 335 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 335 L C 2.457 179.516 176.870 0.315 0.000 1.073 335 L CA 2.333 57.393 54.840 0.367 0.000 0.745 335 L CB -0.813 41.588 42.059 0.571 0.000 0.894 335 L HN 0.504 nan 8.230 nan 0.000 0.432 336 Q N -0.576 119.368 119.800 0.241 0.000 2.135 336 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 336 Q C 2.087 178.165 176.000 0.130 0.000 0.981 336 Q CA 2.036 57.935 55.803 0.160 0.000 0.856 336 Q CB -0.219 28.582 28.738 0.104 0.000 0.902 336 Q HN 0.659 nan 8.270 nan 0.000 0.425 337 E N -0.146 120.131 120.200 0.130 0.000 2.077 337 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 337 E C 1.747 178.458 176.600 0.185 0.000 0.989 337 E CA 1.008 57.473 56.400 0.109 0.000 0.800 337 E CB -0.178 29.546 29.700 0.040 0.000 0.746 337 E HN 0.339 nan 8.360 nan 0.000 0.452 338 Y N 1.589 121.978 120.300 0.148 0.000 2.128 338 Y HA -0.233 4.317 4.550 -0.000 0.000 0.284 338 Y C 1.942 177.915 175.900 0.121 0.000 1.154 338 Y CA 1.493 59.694 58.100 0.167 0.000 1.149 338 Y CB -0.244 38.305 38.460 0.149 0.000 0.976 338 Y HN -0.059 nan 8.280 nan 0.000 0.505 339 I N -0.427 120.135 120.570 -0.012 0.000 2.113 339 I HA -0.347 3.823 4.170 -0.000 0.000 0.238 339 I C 2.393 178.454 176.117 -0.093 0.000 1.070 339 I CA 1.600 62.846 61.300 -0.091 0.000 1.332 339 I CB -0.620 37.415 38.000 0.059 0.000 1.044 339 I HN 0.230 nan 8.210 nan 0.000 0.402 340 L N -0.273 120.946 121.223 -0.007 0.000 2.046 340 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 340 L C 2.624 179.500 176.870 0.011 0.000 1.077 340 L CA 1.558 56.407 54.840 0.015 0.000 0.747 340 L CB -0.391 41.691 42.059 0.037 0.000 0.896 340 L HN 0.288 nan 8.230 nan 0.000 0.432 341 M N -1.950 117.664 119.600 0.023 0.000 2.334 341 M HA -0.101 4.379 4.480 -0.000 0.000 0.266 341 M C 1.814 178.082 176.300 -0.054 0.000 1.082 341 M CA 0.990 56.328 55.300 0.064 0.000 1.141 341 M CB -0.020 32.708 32.600 0.214 0.000 1.380 341 M HN 0.373 nan 8.290 nan 0.000 0.440 342 C N -1.821 117.348 119.300 -0.217 0.000 3.230 342 C HA 0.171 4.631 4.460 -0.000 0.000 0.300 342 C C 1.822 176.612 174.990 -0.333 0.000 1.292 342 C CA -0.522 58.299 59.018 -0.329 0.000 1.707 342 C CB -0.418 27.005 27.740 -0.529 0.000 2.181 342 C HN 0.568 nan 8.230 nan 0.000 0.655 343 C N 0.911 120.023 119.300 -0.312 0.000 3.104 343 C HA 0.211 4.671 4.460 -0.000 0.000 0.284 343 C C 0.594 175.504 174.990 -0.132 0.000 1.326 343 C CA -0.174 58.709 59.018 -0.225 0.000 1.725 343 C CB -1.560 26.045 27.740 -0.226 0.000 2.156 343 C HN 0.600 nan 8.230 nan 0.000 0.638 344 Q N 0.341 120.089 119.800 -0.086 0.000 2.271 344 Q HA 0.341 4.681 4.340 -0.000 0.000 0.258 344 Q C -0.461 175.522 176.000 -0.028 0.000 0.936 344 Q CA -0.087 55.712 55.803 -0.008 0.000 0.909 344 Q CB 1.850 30.636 28.738 0.079 0.000 1.253 344 Q HN 0.453 nan 8.270 nan 0.000 0.440 345 C N 4.400 123.683 119.300 -0.029 0.000 2.435 345 C HA 0.287 4.747 4.460 -0.000 0.000 0.375 345 C C -1.256 173.698 174.990 -0.059 0.000 1.281 345 C CA -1.766 57.202 59.018 -0.082 0.000 1.963 345 C CB 0.071 27.712 27.740 -0.165 0.000 2.490 345 C HN 0.736 nan 8.230 nan 0.000 0.557 346 P HA -0.058 nan 4.420 nan 0.000 0.216 346 P C 1.083 178.334 177.300 -0.082 0.000 1.150 346 P CA 1.848 64.906 63.100 -0.070 0.000 0.837 346 P CB 0.072 31.735 31.700 -0.063 0.000 0.786 347 A N -1.186 121.580 122.820 -0.090 0.000 2.238 347 A HA 0.472 4.792 4.320 -0.000 0.000 0.208 347 A C 1.023 178.550 177.584 -0.094 0.000 1.177 347 A CA 0.786 52.774 52.037 -0.082 0.000 0.804 347 A CB -0.992 17.963 19.000 -0.075 0.000 0.823 347 A HN 0.322 nan 8.150 nan 0.000 0.482 348 G N -2.793 105.934 108.800 -0.121 0.000 2.576 348 G HA2 0.537 4.497 3.960 -0.000 0.000 0.686 348 G HA3 0.537 4.497 3.960 -0.000 0.000 0.686 348 G C 0.377 175.114 174.900 -0.272 0.000 1.242 348 G CA -0.221 44.845 45.100 -0.056 0.000 0.819 348 G HN 2.407 nan 8.290 nan 0.000 0.655 349 G N -1.215 107.616 108.800 0.051 0.000 2.712 349 G HA2 0.343 4.303 3.960 -0.000 0.000 0.686 349 G HA3 0.343 4.303 3.960 -0.000 0.000 0.686 349 G C -0.574 174.190 174.900 -0.227 0.000 1.321 349 G CA 0.128 45.029 45.100 -0.333 0.000 0.813 349 G HN 1.653 nan 8.290 nan 0.000 0.599 350 L N 0.254 121.348 121.223 -0.216 0.000 2.286 350 L HA 0.965 5.305 4.340 -0.000 0.000 0.265 350 L C 0.522 177.322 176.870 -0.116 0.000 1.012 350 L CA -0.962 53.772 54.840 -0.175 0.000 0.818 350 L CB 1.827 43.762 42.059 -0.205 0.000 1.337 350 L HN 0.986 nan 8.230 nan 0.000 0.438 351 L N -3.112 118.038 121.223 -0.122 0.000 2.389 351 L HA 0.703 5.043 4.340 -0.000 0.000 0.249 351 L C 0.380 177.110 176.870 -0.235 0.000 1.083 351 L CA -0.689 54.033 54.840 -0.198 0.000 0.876 351 L CB 0.466 42.404 42.059 -0.203 0.000 1.489 351 L HN 0.438 nan 8.230 nan 0.000 0.412 352 D N 0.007 120.110 120.400 -0.495 0.000 2.075 352 D HA -0.061 4.579 4.640 -0.000 0.000 0.196 352 D C 0.031 176.332 176.300 0.002 0.000 0.985 352 D CA 2.230 56.057 54.000 -0.288 0.000 0.834 352 D CB 0.348 40.918 40.800 -0.384 0.000 0.987 352 D HN 0.715 nan 8.370 nan 0.000 0.452 353 K N -2.009 118.370 120.400 -0.034 0.000 2.615 353 K HA 0.506 4.826 4.320 -0.000 0.000 0.291 353 K C -3.035 173.543 176.600 -0.038 0.000 1.017 353 K CA -1.645 54.666 56.287 0.041 0.000 0.882 353 K CB 1.232 33.813 32.500 0.135 0.000 1.522 353 K HN -0.303 nan 8.250 nan 0.000 0.412 354 P HA 0.029 nan 4.420 nan 0.000 0.262 354 P C 0.465 177.739 177.300 -0.043 0.000 1.182 354 P CA 1.787 64.850 63.100 -0.062 0.000 0.761 354 P CB 0.563 32.224 31.700 -0.066 0.000 0.795 355 G N 1.523 110.292 108.800 -0.053 0.000 2.213 355 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.226 355 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.226 355 G C 0.139 175.011 174.900 -0.047 0.000 0.992 355 G CA -0.289 44.786 45.100 -0.041 0.000 0.632 355 G HN 0.470 nan 8.290 nan 0.000 0.511 356 K N 1.320 121.682 120.400 -0.065 0.000 2.095 356 K HA 0.662 4.982 4.320 -0.000 0.000 0.252 356 K C 0.625 177.167 176.600 -0.097 0.000 0.977 356 K CA 0.166 56.404 56.287 -0.082 0.000 0.900 356 K CB 1.535 33.964 32.500 -0.117 0.000 1.060 356 K HN 0.539 nan 8.250 nan 0.000 0.449 357 S N 0.765 116.411 115.700 -0.090 0.000 2.616 357 S HA 0.404 4.873 4.470 -0.000 0.000 0.277 357 S C 0.273 174.810 174.600 -0.104 0.000 1.234 357 S CA -1.002 57.145 58.200 -0.087 0.000 1.028 357 S CB 1.227 64.392 63.200 -0.059 0.000 0.988 357 S HN 0.580 nan 8.310 nan 0.000 0.522 358 R N 0.405 120.832 120.500 -0.120 0.000 2.774 358 R HA 0.500 4.840 4.340 -0.000 0.000 0.269 358 R C -1.055 175.227 176.300 -0.030 0.000 1.068 358 R CA -0.300 55.720 56.100 -0.134 0.000 1.180 358 R CB -0.359 29.765 30.300 -0.293 0.000 1.077 358 R HN 0.856 nan 8.270 nan 0.000 0.513 359 D N -0.666 119.750 120.400 0.026 0.000 2.694 359 D HA 0.109 4.749 4.640 -0.000 0.000 0.260 359 D C -0.395 175.917 176.300 0.021 0.000 1.250 359 D CA -0.800 53.267 54.000 0.113 0.000 0.763 359 D CB 0.034 40.962 40.800 0.214 0.000 1.311 359 D HN 0.377 nan 8.370 nan 0.000 0.420 360 F N -0.657 119.445 119.950 0.253 0.000 2.293 360 F HA -0.033 4.494 4.527 -0.000 0.000 0.300 360 F C 1.964 177.604 175.800 -0.267 0.000 1.086 360 F CA 0.567 58.599 58.000 0.053 0.000 1.375 360 F CB -0.364 38.690 39.000 0.090 0.000 1.045 360 F HN 0.488 nan 8.300 nan 0.000 0.516 361 Y N 0.476 120.426 120.300 -0.583 0.000 2.145 361 Y HA -0.265 4.285 4.550 -0.000 0.000 0.286 361 Y C 2.385 177.945 175.900 -0.566 0.000 1.145 361 Y CA 1.971 59.342 58.100 -1.214 0.000 1.148 361 Y CB -0.914 36.829 38.460 -1.195 0.000 0.981 361 Y HN 0.061 nan 8.280 nan 0.000 0.507 362 H N -1.176 117.677 119.070 -0.362 0.000 2.428 362 H HA -0.061 4.495 4.556 -0.000 0.000 0.296 362 H C 2.153 177.305 175.328 -0.293 0.000 1.062 362 H CA 1.819 57.666 56.048 -0.334 0.000 1.350 362 H CB -0.183 29.505 29.762 -0.123 0.000 1.403 362 H HN 0.301 nan 8.280 nan 0.000 0.533 363 T N -0.576 113.901 114.554 -0.128 0.000 2.746 363 T HA -0.232 4.118 4.350 -0.000 0.000 0.267 363 T C 2.333 176.890 174.700 -0.239 0.000 1.039 363 T CA 1.328 63.347 62.100 -0.135 0.000 1.142 363 T CB -0.662 68.220 68.868 0.023 0.000 0.866 363 T HN 0.566 nan 8.240 nan 0.000 0.444 364 C N 0.552 119.638 119.300 -0.355 0.000 2.453 364 C HA -0.055 4.405 4.460 -0.000 0.000 0.277 364 C C 2.326 176.903 174.990 -0.688 0.000 1.262 364 C CA 0.382 59.091 59.018 -0.515 0.000 1.718 364 C CB -1.428 25.948 27.740 -0.605 0.000 2.031 364 C HN 0.648 nan 8.230 nan 0.000 0.480 365 Y N -0.433 119.564 120.300 -0.505 0.000 2.420 365 Y HA 0.009 4.559 4.550 -0.000 0.000 0.292 365 Y C 2.855 178.570 175.900 -0.309 0.000 1.119 365 Y CA 1.195 58.969 58.100 -0.544 0.000 1.229 365 Y CB -0.505 37.432 38.460 -0.871 0.000 1.026 365 Y HN 0.375 nan 8.280 nan 0.000 0.554 366 C N -0.103 119.114 119.300 -0.139 0.000 2.446 366 C HA -0.125 4.335 4.460 -0.000 0.000 0.277 366 C C 2.664 177.620 174.990 -0.057 0.000 1.275 366 C CA 0.869 59.856 59.018 -0.051 0.000 1.727 366 C CB -1.148 26.556 27.740 -0.059 0.000 2.010 366 C HN 0.522 nan 8.230 nan 0.000 0.486 367 L N 0.426 121.570 121.223 -0.131 0.000 2.056 367 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 367 L C 2.664 179.492 176.870 -0.069 0.000 1.078 367 L CA 1.406 56.177 54.840 -0.116 0.000 0.749 367 L CB -0.661 41.288 42.059 -0.184 0.000 0.901 367 L HN 0.301 nan 8.230 nan 0.000 0.433 368 S N 0.078 115.716 115.700 -0.105 0.000 2.359 368 S HA -0.154 4.316 4.470 -0.000 0.000 0.224 368 S C 2.027 176.747 174.600 0.201 0.000 1.035 368 S CA 1.360 59.569 58.200 0.015 0.000 1.018 368 S CB -0.696 62.381 63.200 -0.205 0.000 0.876 368 S HN 0.615 nan 8.310 nan 0.000 0.448 369 G N 1.471 110.377 108.800 0.176 0.000 2.422 369 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 369 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 369 G C 1.384 176.384 174.900 0.168 0.000 1.146 369 G CA 0.781 45.976 45.100 0.160 0.000 0.769 369 G HN 0.401 nan 8.290 nan 0.000 0.547 370 L N 1.018 122.317 121.223 0.126 0.000 2.046 370 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 370 L C 2.886 179.828 176.870 0.119 0.000 1.077 370 L CA 2.415 57.326 54.840 0.119 0.000 0.747 370 L CB -0.819 41.278 42.059 0.062 0.000 0.896 370 L HN 0.222 nan 8.230 nan 0.000 0.432 371 S N -0.785 114.993 115.700 0.129 0.000 2.368 371 S HA -0.145 4.325 4.470 -0.000 0.000 0.225 371 S C 2.039 176.796 174.600 0.263 0.000 1.030 371 S CA 1.360 59.670 58.200 0.184 0.000 0.999 371 S CB -0.300 63.030 63.200 0.217 0.000 0.844 371 S HN 0.418 nan 8.310 nan 0.000 0.459 372 I N 2.020 122.757 120.570 0.279 0.000 2.163 372 I HA -0.170 4.000 4.170 -0.000 0.000 0.243 372 I C 2.796 179.203 176.117 0.483 0.000 1.085 372 I CA 1.585 63.076 61.300 0.319 0.000 1.347 372 I CB -1.826 36.270 38.000 0.160 0.000 1.044 372 I HN 0.371 nan 8.210 nan 0.000 0.408 373 A N -0.059 123.030 122.820 0.448 0.000 2.015 373 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 373 A C 2.210 179.902 177.584 0.179 0.000 1.163 373 A CA 1.265 53.573 52.037 0.452 0.000 0.646 373 A CB -0.472 18.790 19.000 0.437 0.000 0.806 373 A HN 0.554 nan 8.150 nan 0.000 0.448 374 Q N -1.056 118.759 119.800 0.025 0.000 2.302 374 Q HA 0.017 4.357 4.340 -0.000 0.000 0.202 374 Q C -0.259 175.531 176.000 -0.350 0.000 0.936 374 Q CA 0.525 56.174 55.803 -0.257 0.000 0.886 374 Q CB 0.181 28.612 28.738 -0.511 0.000 0.986 374 Q HN 0.724 nan 8.270 nan 0.000 0.487 375 H N -0.762 118.409 119.070 0.169 0.000 2.539 375 H HA 0.232 4.788 4.556 -0.000 0.000 0.332 375 H C -1.547 173.901 175.328 0.199 0.000 1.031 375 H CA -0.692 55.433 56.048 0.130 0.000 1.206 375 H CB 0.750 30.591 29.762 0.131 0.000 1.446 375 H HN 0.026 nan 8.280 nan 0.000 0.496 376 F N 2.144 122.014 119.950 -0.135 0.000 2.436 376 F HA 0.599 5.126 4.527 -0.000 0.000 0.340 376 F C -0.261 175.334 175.800 -0.340 0.000 1.113 376 F CA -0.374 57.238 58.000 -0.646 0.000 1.022 376 F CB 1.618 40.028 39.000 -0.983 0.000 1.128 376 F HN 0.578 nan 8.300 nan 0.000 0.466 377 G N 2.560 110.683 108.800 -1.127 0.000 2.741 377 G HA2 0.446 4.406 3.960 -0.000 0.000 0.293 377 G HA3 0.446 4.406 3.960 -0.000 0.000 0.293 377 G C -1.687 172.783 174.900 -0.717 0.000 1.457 377 G CA -0.728 44.012 45.100 -0.601 0.000 1.098 377 G HN 0.704 nan 8.290 nan 0.000 0.536 378 S N 1.620 117.048 115.700 -0.453 0.000 2.440 378 S HA 0.576 5.046 4.470 -0.000 0.000 0.142 378 S C 0.937 175.497 174.600 -0.067 0.000 1.578 378 S CA 0.936 58.989 58.200 -0.246 0.000 1.260 378 S CB -0.611 62.467 63.200 -0.203 0.000 1.407 378 S HN 2.531 nan 8.310 nan 0.000 0.392 379 G N 2.906 111.689 108.800 -0.028 0.000 2.527 379 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.262 379 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.262 379 G C 1.103 176.017 174.900 0.024 0.000 1.153 379 G CA 0.077 45.192 45.100 0.026 0.000 0.954 379 G HN 1.511 nan 8.290 nan 0.000 0.552 380 A N 0.068 122.913 122.820 0.042 0.000 1.969 380 A HA 0.332 4.652 4.320 -0.000 0.000 0.218 380 A C 1.688 179.296 177.584 0.040 0.000 1.169 380 A CA 2.063 54.123 52.037 0.038 0.000 0.635 380 A CB -0.437 18.589 19.000 0.043 0.000 0.810 380 A HN 0.807 nan 8.150 nan 0.000 0.445 381 M N 0.605 120.239 119.600 0.056 0.000 2.246 381 M HA 0.375 4.855 4.480 -0.000 0.000 0.350 381 M C -0.885 175.476 176.300 0.103 0.000 1.406 381 M CA 0.864 56.218 55.300 0.090 0.000 1.089 381 M CB -0.316 32.376 32.600 0.152 0.000 1.782 381 M HN 0.157 nan 8.290 nan 0.000 0.457 382 L N 3.464 124.753 121.223 0.111 0.000 2.470 382 L HA 0.451 4.791 4.340 -0.000 0.000 0.268 382 L C -1.124 175.841 176.870 0.157 0.000 0.964 382 L CA -0.543 54.365 54.840 0.114 0.000 0.839 382 L CB 2.249 44.336 42.059 0.046 0.000 1.276 382 L HN 0.744 nan 8.230 nan 0.000 0.403 383 H N 1.539 120.637 119.070 0.047 0.000 3.017 383 H HA 0.442 4.998 4.556 -0.000 0.000 0.340 383 H C -1.653 173.620 175.328 -0.090 0.000 1.014 383 H CA -0.463 55.530 56.048 -0.093 0.000 1.341 383 H CB 1.495 31.076 29.762 -0.301 0.000 1.739 383 H HN 0.439 nan 8.280 nan 0.000 0.506 384 D N 3.218 123.261 120.400 -0.595 0.000 2.217 384 D HA 0.449 5.089 4.640 -0.000 0.000 0.248 384 D C -0.519 175.410 176.300 -0.619 0.000 1.008 384 D CA -0.444 53.293 54.000 -0.438 0.000 0.914 384 D CB 2.347 43.058 40.800 -0.148 0.000 1.182 384 D HN 0.240 nan 8.370 nan 0.000 0.451 385 V N 1.755 121.449 119.914 -0.366 0.000 2.445 385 V HA 0.202 4.322 4.120 -0.000 0.000 0.283 385 V C -0.546 175.454 176.094 -0.157 0.000 1.014 385 V CA -0.722 61.439 62.300 -0.232 0.000 0.852 385 V CB 1.800 33.538 31.823 -0.141 0.000 1.021 385 V HN 0.283 nan 8.190 nan 0.000 0.435 386 V N 5.744 125.585 119.914 -0.123 0.000 2.293 386 V HA 0.418 4.537 4.120 -0.000 0.000 0.275 386 V C 0.336 176.397 176.094 -0.055 0.000 1.021 386 V CA -0.479 61.768 62.300 -0.088 0.000 0.815 386 V CB 1.296 33.074 31.823 -0.075 0.000 1.025 386 V HN 0.696 nan 8.190 nan 0.000 0.448 387 M N 3.196 122.773 119.600 -0.038 0.000 2.243 387 M HA 0.476 4.956 4.480 -0.000 0.000 0.341 387 M C 1.086 177.370 176.300 -0.026 0.000 1.130 387 M CA 1.063 56.346 55.300 -0.027 0.000 1.162 387 M CB 0.371 32.965 32.600 -0.009 0.000 1.497 387 M HN 0.930 nan 8.290 nan 0.000 0.456 388 G N 1.354 110.133 108.800 -0.035 0.000 2.593 388 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.237 388 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.237 388 G C -0.305 174.577 174.900 -0.030 0.000 1.312 388 G CA -0.326 44.753 45.100 -0.035 0.000 0.896 388 G HN 1.198 nan 8.290 nan 0.000 0.574 389 V N -0.860 119.040 119.914 -0.023 0.000 2.763 389 V HA 0.445 4.565 4.120 -0.000 0.000 0.306 389 V C 0.060 176.144 176.094 -0.017 0.000 1.059 389 V CA 0.184 62.472 62.300 -0.020 0.000 1.138 389 V CB 0.963 32.778 31.823 -0.014 0.000 0.940 389 V HN 0.834 nan 8.190 nan 0.000 0.489 390 P HA -0.127 nan 4.420 nan 0.000 0.221 390 P C 0.968 178.263 177.300 -0.008 0.000 1.145 390 P CA 1.284 64.375 63.100 -0.016 0.000 0.795 390 P CB 0.332 32.023 31.700 -0.016 0.000 0.775 391 E N -0.281 119.915 120.200 -0.006 0.000 2.418 391 E HA -0.077 4.273 4.350 -0.000 0.000 0.197 391 E C 1.661 178.265 176.600 0.006 0.000 1.026 391 E CA 0.393 56.792 56.400 -0.002 0.000 0.862 391 E CB -0.844 28.852 29.700 -0.006 0.000 0.799 391 E HN 0.225 nan 8.360 nan 0.000 0.518 392 N N 0.117 118.820 118.700 0.005 0.000 2.453 392 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 392 N C 0.206 175.725 175.510 0.014 0.000 1.041 392 N CA 0.212 53.270 53.050 0.013 0.000 0.900 392 N CB -0.051 38.439 38.487 0.005 0.000 0.961 392 N HN 0.076 nan 8.380 nan 0.000 0.443 393 V N 2.158 122.079 119.914 0.013 0.000 2.540 393 V HA 0.010 4.130 4.120 -0.000 0.000 0.297 393 V C 0.148 176.288 176.094 0.076 0.000 1.024 393 V CA 0.047 62.366 62.300 0.032 0.000 1.105 393 V CB -0.111 31.744 31.823 0.054 0.000 0.938 393 V HN 0.032 nan 8.190 nan 0.000 0.482 394 L N 5.731 127.026 121.223 0.120 0.000 2.376 394 L HA 0.549 4.888 4.340 -0.000 0.000 0.267 394 L C 0.094 177.096 176.870 0.220 0.000 1.035 394 L CA -1.016 53.902 54.840 0.130 0.000 0.800 394 L CB 1.068 43.182 42.059 0.092 0.000 1.290 394 L HN 0.458 nan 8.230 nan 0.000 0.462 395 Q N 1.827 121.691 119.800 0.105 0.000 2.340 395 Q HA 0.267 4.607 4.340 -0.000 0.000 0.249 395 Q C -2.237 173.809 176.000 0.076 0.000 0.957 395 Q CA -1.680 54.154 55.803 0.052 0.000 0.882 395 Q CB 0.747 29.496 28.738 0.018 0.000 1.235 395 Q HN 0.256 nan 8.270 nan 0.000 0.439 396 P HA 0.024 nan 4.420 nan 0.000 0.272 396 P C -0.445 176.942 177.300 0.144 0.000 1.223 396 P CA -0.073 63.043 63.100 0.026 0.000 0.784 396 P CB 0.835 32.446 31.700 -0.148 0.000 0.923 397 T N 0.574 115.262 114.554 0.223 0.000 2.876 397 T HA 0.174 4.524 4.350 -0.000 0.000 0.289 397 T C -0.615 174.269 174.700 0.306 0.000 1.014 397 T CA -0.501 61.778 62.100 0.298 0.000 0.986 397 T CB 0.271 69.355 68.868 0.359 0.000 1.021 397 T HN 0.378 nan 8.240 nan 0.000 0.458 398 H N 6.281 125.512 119.070 0.269 0.000 2.899 398 H HA 0.194 4.750 4.556 -0.000 0.000 0.303 398 H C -1.552 173.980 175.328 0.340 0.000 1.042 398 H CA -1.574 54.645 56.048 0.286 0.000 1.479 398 H CB 1.759 31.724 29.762 0.338 0.000 1.493 398 H HN 0.444 nan 8.280 nan 0.000 0.534 399 P HA -0.126 nan 4.420 nan 0.000 0.225 399 P C 1.209 178.794 177.300 0.475 0.000 1.148 399 P CA 0.551 63.816 63.100 0.276 0.000 0.779 399 P CB 0.629 32.323 31.700 -0.011 0.000 0.780 400 V N -1.748 118.507 119.914 0.567 0.000 2.492 400 V HA -0.080 4.040 4.120 -0.000 0.000 0.241 400 V C 2.195 178.510 176.094 0.368 0.000 1.041 400 V CA 1.400 63.890 62.300 0.316 0.000 1.057 400 V CB -1.040 30.780 31.823 -0.005 0.000 0.711 400 V HN -0.039 nan 8.190 nan 0.000 0.468 401 Y N -0.575 120.069 120.300 0.575 0.000 2.509 401 Y HA 0.250 4.800 4.550 -0.000 0.000 0.270 401 Y C 1.420 177.550 175.900 0.382 0.000 1.103 401 Y CA 0.316 58.664 58.100 0.415 0.000 1.278 401 Y CB 0.073 38.584 38.460 0.085 0.000 1.087 401 Y HN 0.358 nan 8.280 nan 0.000 0.542 402 N N 0.947 119.961 118.700 0.523 0.000 2.756 402 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 402 N C -0.939 174.507 175.510 -0.107 0.000 1.062 402 N CA 0.961 54.128 53.050 0.196 0.000 0.696 402 N CB -1.501 36.921 38.487 -0.109 0.000 0.946 402 N HN 0.630 nan 8.380 nan 0.000 0.548 403 I N -4.301 116.360 120.570 0.152 0.000 3.074 403 I HA 0.741 4.911 4.170 -0.000 0.000 0.310 403 I C 0.999 177.276 176.117 0.267 0.000 1.153 403 I CA -1.019 60.368 61.300 0.145 0.000 0.993 403 I CB 1.573 39.629 38.000 0.093 0.000 1.237 403 I HN 0.000 nan 8.210 nan 0.000 0.443 404 G N 2.472 111.415 108.800 0.238 0.000 2.321 404 G HA2 0.255 4.215 3.960 -0.000 0.000 0.237 404 G HA3 0.255 4.215 3.960 -0.000 0.000 0.237 404 G C -1.946 173.070 174.900 0.193 0.000 1.282 404 G CA -0.658 44.559 45.100 0.196 0.000 0.886 404 G HN 0.610 nan 8.290 nan 0.000 0.528 405 P HA -0.135 nan 4.420 nan 0.000 0.217 405 P C 1.584 178.980 177.300 0.161 0.000 1.148 405 P CA 1.539 64.799 63.100 0.267 0.000 0.828 405 P CB 0.201 32.025 31.700 0.206 0.000 0.783 406 D N -0.630 119.834 120.400 0.108 0.000 2.144 406 D HA -0.158 4.482 4.640 -0.000 0.000 0.200 406 D C 1.408 177.745 176.300 0.060 0.000 0.978 406 D CA 1.116 55.159 54.000 0.072 0.000 0.833 406 D CB -0.504 40.327 40.800 0.052 0.000 0.961 406 D HN 0.103 nan 8.370 nan 0.000 0.470 407 K N 0.916 121.353 120.400 0.063 0.000 2.097 407 K HA -0.000 4.320 4.320 -0.000 0.000 0.205 407 K C 2.512 179.118 176.600 0.010 0.000 1.050 407 K CA 0.278 56.596 56.287 0.051 0.000 0.938 407 K CB -0.668 31.863 32.500 0.051 0.000 0.718 407 K HN 0.163 nan 8.250 nan 0.000 0.442 408 V N 2.137 122.028 119.914 -0.038 0.000 2.261 408 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 408 V C 2.424 178.458 176.094 -0.101 0.000 1.047 408 V CA 1.626 63.815 62.300 -0.186 0.000 1.015 408 V CB -0.425 31.238 31.823 -0.267 0.000 0.642 408 V HN 0.173 nan 8.190 nan 0.000 0.446 409 I N -0.454 120.112 120.570 -0.008 0.000 2.163 409 I HA -0.341 3.829 4.170 -0.000 0.000 0.243 409 I C 2.683 178.803 176.117 0.005 0.000 1.085 409 I CA 2.011 63.321 61.300 0.016 0.000 1.347 409 I CB -0.441 37.589 38.000 0.049 0.000 1.044 409 I HN 0.405 nan 8.210 nan 0.000 0.408 410 Q N 0.818 120.632 119.800 0.023 0.000 2.061 410 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 410 Q C 2.340 178.329 176.000 -0.018 0.000 0.984 410 Q CA 2.131 57.956 55.803 0.036 0.000 0.846 410 Q CB -0.107 28.685 28.738 0.089 0.000 0.902 410 Q HN 0.561 nan 8.270 nan 0.000 0.421 411 A N 0.364 123.177 122.820 -0.013 0.000 1.858 411 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 411 A C 2.306 179.842 177.584 -0.079 0.000 1.190 411 A CA 2.351 54.298 52.037 -0.150 0.000 0.617 411 A CB -1.436 17.602 19.000 0.063 0.000 0.827 411 A HN 0.686 nan 8.150 nan 0.000 0.443 412 T N -2.700 111.837 114.554 -0.028 0.000 2.665 412 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 412 T C 1.819 176.511 174.700 -0.013 0.000 1.035 412 T CA 2.309 64.413 62.100 0.007 0.000 1.151 412 T CB -1.331 67.524 68.868 -0.022 0.000 0.862 412 T HN 0.334 nan 8.240 nan 0.000 0.438 413 T N 0.870 115.400 114.554 -0.040 0.000 2.720 413 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 413 T C 1.751 176.386 174.700 -0.108 0.000 1.037 413 T CA 1.902 63.972 62.100 -0.050 0.000 1.144 413 T CB -0.630 68.222 68.868 -0.027 0.000 0.864 413 T HN 0.803 nan 8.240 nan 0.000 0.444 414 H N 0.107 118.989 119.070 -0.314 0.000 2.353 414 H HA 0.021 4.577 4.556 -0.000 0.000 0.300 414 H C 1.672 176.690 175.328 -0.516 0.000 1.090 414 H CA 1.516 57.266 56.048 -0.497 0.000 1.327 414 H CB -0.485 28.738 29.762 -0.898 0.000 1.383 414 H HN 0.438 nan 8.280 nan 0.000 0.508 415 F N -0.292 119.460 119.950 -0.331 0.000 2.558 415 F HA 0.045 4.572 4.527 -0.000 0.000 0.298 415 F C 1.936 177.601 175.800 -0.226 0.000 1.119 415 F CA 0.165 57.981 58.000 -0.308 0.000 1.451 415 F CB 0.102 38.992 39.000 -0.183 0.000 1.091 415 F HN 0.134 nan 8.300 nan 0.000 0.563 416 L N -0.255 120.941 121.223 -0.046 0.000 2.551 416 L HA -0.152 4.188 4.340 -0.000 0.000 0.228 416 L C 1.936 178.749 176.870 -0.095 0.000 1.153 416 L CA 0.834 55.646 54.840 -0.046 0.000 0.851 416 L CB -0.427 41.612 42.059 -0.033 0.000 0.959 416 L HN 0.247 nan 8.230 nan 0.000 0.451 417 Q N -0.379 119.320 119.800 -0.168 0.000 2.245 417 Q HA -0.019 4.321 4.340 -0.000 0.000 0.201 417 Q C 0.271 176.175 176.000 -0.161 0.000 0.955 417 Q CA 0.628 56.325 55.803 -0.176 0.000 0.870 417 Q CB 0.277 28.867 28.738 -0.246 0.000 0.945 417 Q HN 0.290 nan 8.270 nan 0.000 0.461 418 K N 1.675 121.983 120.400 -0.153 0.000 2.098 418 K HA 0.341 4.661 4.320 -0.000 0.000 0.257 418 K C -2.340 174.194 176.600 -0.110 0.000 0.999 418 K CA -1.879 54.343 56.287 -0.108 0.000 0.924 418 K CB 0.226 32.705 32.500 -0.036 0.000 1.028 418 K HN -0.065 nan 8.250 nan 0.000 0.466 419 P HA 0.190 nan 4.420 nan 0.000 0.293 419 P C -0.327 176.917 177.300 -0.093 0.000 1.291 419 P CA -0.689 62.284 63.100 -0.212 0.000 0.867 419 P CB 0.970 32.357 31.700 -0.521 0.000 1.074 420 V N 4.341 124.227 119.914 -0.048 0.000 2.539 420 V HA -0.036 4.084 4.120 -0.000 0.000 0.300 420 V C -1.810 174.333 176.094 0.082 0.000 1.019 420 V CA -0.492 61.820 62.300 0.020 0.000 1.160 420 V CB -1.034 30.811 31.823 0.037 0.000 0.901 420 V HN 0.584 nan 8.190 nan 0.000 0.481 421 P HA 0.035 nan 4.420 nan 0.000 0.257 421 P C 1.040 178.447 177.300 0.178 0.000 1.153 421 P CA 1.907 65.090 63.100 0.137 0.000 0.762 421 P CB 0.103 31.861 31.700 0.097 0.000 0.743 422 G N 2.181 111.129 108.800 0.246 0.000 2.284 422 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.230 422 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.230 422 G C 0.324 175.416 174.900 0.320 0.000 1.021 422 G CA -0.120 45.081 45.100 0.169 0.000 0.619 422 G HN 0.586 nan 8.290 nan 0.000 0.510 423 F N 0.000 119.959 119.950 0.015 0.000 2.286 423 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 423 F CA 0.000 58.008 58.000 0.014 0.000 1.383 423 F CB 0.000 39.005 39.000 0.008 0.000 1.145 423 F HN 0.000 nan 8.300 nan 0.000 0.574