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 2pv0_1_B DATA FIRST_RESID 34 DATA SEQUENCE GRDLIAYEVK ANQRNIEDIC ICCGSLQVHT QHPLFEGGIC APCKDKFLDA DATA SEQUENCE LFLYDDDGYQ SYCSICCSGE TLLICGNPDC TRCYCFECVD SLVGPGTSGK DATA SEQUENCE VHAMSNWVCY LCLPSSRSGL LQRRRKWRSQ LKAFYDRESE NPLEMFETVP DATA SEQUENCE VWRRQPVRVL SLFEDIKKEL TSLGFLESGS DPGQLKHVVD VTDTVRKDVE DATA SEQUENCE EWGPFDLVYG ATPPLGHTCD RPPSWYLFQF HRLLQYARPK PGSPGPFFWM DATA SEQUENCE FVDNLVLNKE DLDVASRFLE MEPVTIPDVH GGSLQNAVRV WSNIPAIRSR DATA SEQUENCE HWALVSEEEL SLLAQNKQSS KLAAKWPTKL VKNCFLPLRE YFKYFST 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 34 G HA2 0.000 nan 3.960 nan 0.000 0.244 34 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 34 G C 0.000 174.898 174.900 -0.003 0.000 0.946 34 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 35 R N 0.922 121.417 120.500 -0.007 0.000 2.081 35 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 35 R C 2.020 178.314 176.300 -0.009 0.000 1.131 35 R CA 1.744 57.837 56.100 -0.012 0.000 0.960 35 R CB -0.096 30.193 30.300 -0.017 0.000 0.856 35 R HN 0.454 nan 8.270 nan 0.000 0.436 36 D N 0.651 121.045 120.400 -0.011 0.000 2.310 36 D HA -0.139 4.501 4.640 -0.000 0.000 0.212 36 D C 1.766 178.067 176.300 0.002 0.000 0.965 36 D CA 0.859 54.853 54.000 -0.010 0.000 0.879 36 D CB -0.312 40.476 40.800 -0.020 0.000 0.921 36 D HN 0.262 nan 8.370 nan 0.000 0.510 37 L N 0.393 121.619 121.223 0.005 0.000 2.168 37 L HA 0.119 4.459 4.340 -0.000 0.000 0.203 37 L C 2.650 179.566 176.870 0.078 0.000 1.078 37 L CA 0.455 55.310 54.840 0.024 0.000 0.780 37 L CB -0.464 41.598 42.059 0.004 0.000 0.939 37 L HN 0.017 nan 8.230 nan 0.000 0.451 38 I N -0.045 120.552 120.570 0.046 0.000 2.248 38 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 38 I C 2.523 178.670 176.117 0.050 0.000 1.107 38 I CA 1.698 63.024 61.300 0.043 0.000 1.373 38 I CB -0.326 37.679 38.000 0.009 0.000 1.055 38 I HN 0.141 nan 8.210 nan 0.000 0.418 39 A N 0.247 123.095 122.820 0.046 0.000 1.978 39 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 39 A C 2.208 179.834 177.584 0.070 0.000 1.170 39 A CA 1.889 53.949 52.037 0.038 0.000 0.636 39 A CB -1.126 17.892 19.000 0.031 0.000 0.810 39 A HN 0.758 nan 8.150 nan 0.000 0.448 40 Y N 0.413 120.703 120.300 -0.017 0.000 2.109 40 Y HA -0.140 4.410 4.550 -0.000 0.000 0.281 40 Y C 2.359 178.253 175.900 -0.010 0.000 1.113 40 Y CA 1.839 59.932 58.100 -0.012 0.000 1.098 40 Y CB -0.335 38.118 38.460 -0.011 0.000 0.996 40 Y HN 0.319 nan 8.280 nan 0.000 0.485 41 E N -0.012 120.292 120.200 0.173 0.000 2.240 41 E HA -0.324 4.026 4.350 -0.000 0.000 0.236 41 E C 2.230 178.801 176.600 -0.048 0.000 1.085 41 E CA 2.353 58.794 56.400 0.069 0.000 0.979 41 E CB -1.182 28.564 29.700 0.077 0.000 0.845 41 E HN 0.430 nan 8.360 nan 0.000 0.483 42 V N 0.972 120.866 119.914 -0.033 0.000 2.594 42 V HA -0.226 3.894 4.120 -0.000 0.000 0.253 42 V C 2.122 178.167 176.094 -0.083 0.000 1.069 42 V CA 2.039 64.311 62.300 -0.046 0.000 1.082 42 V CB -0.355 31.453 31.823 -0.026 0.000 0.680 42 V HN 0.255 nan 8.190 nan 0.000 0.469 43 K N -0.860 119.459 120.400 -0.134 0.000 2.370 43 K HA 0.334 4.654 4.320 -0.000 0.000 0.194 43 K C 1.977 178.426 176.600 -0.253 0.000 1.070 43 K CA 0.805 56.999 56.287 -0.154 0.000 0.998 43 K CB 0.342 32.769 32.500 -0.122 0.000 0.911 43 K HN 0.405 nan 8.250 nan 0.000 0.533 44 A N 2.031 124.577 122.820 -0.457 0.000 1.941 44 A HA 0.016 4.336 4.320 -0.000 0.000 0.214 44 A C 1.304 178.694 177.584 -0.324 0.000 1.368 44 A CA 0.599 52.271 52.037 -0.609 0.000 0.651 44 A CB -0.538 17.459 19.000 -1.672 0.000 1.064 44 A HN 0.203 nan 8.150 nan 0.000 0.492 45 N N 0.784 119.331 118.700 -0.256 0.000 2.567 45 N HA 0.012 4.752 4.740 -0.000 0.000 0.195 45 N C -0.659 174.812 175.510 -0.065 0.000 1.242 45 N CA 0.081 53.079 53.050 -0.087 0.000 0.884 45 N CB -0.141 38.342 38.487 -0.006 0.000 1.007 45 N HN 0.424 nan 8.380 nan 0.000 0.450 46 Q N 0.529 120.274 119.800 -0.092 0.000 2.388 46 Q HA -0.235 4.105 4.340 -0.000 0.000 0.346 46 Q C -0.483 175.498 176.000 -0.032 0.000 1.319 46 Q CA 0.769 56.536 55.803 -0.059 0.000 1.023 46 Q CB -0.927 27.782 28.738 -0.048 0.000 1.247 46 Q HN 0.511 nan 8.270 nan 0.000 0.411 47 R N 0.261 120.745 120.500 -0.027 0.000 2.549 47 R HA 0.415 4.755 4.340 -0.000 0.000 0.259 47 R C 0.049 176.347 176.300 -0.004 0.000 1.095 47 R CA -0.784 55.312 56.100 -0.008 0.000 1.148 47 R CB 0.549 30.851 30.300 0.002 0.000 1.181 47 R HN 0.088 nan 8.270 nan 0.000 0.571 48 N N 0.338 119.042 118.700 0.006 0.000 2.419 48 N HA 0.148 4.888 4.740 -0.000 0.000 0.277 48 N C 1.060 176.578 175.510 0.013 0.000 1.006 48 N CA -0.253 52.803 53.050 0.010 0.000 0.923 48 N CB 0.771 39.268 38.487 0.017 0.000 1.140 48 N HN 0.527 nan 8.380 nan 0.000 0.488 49 I N 1.351 121.927 120.570 0.011 0.000 2.300 49 I HA -0.288 3.882 4.170 -0.000 0.000 0.252 49 I C 1.458 177.587 176.117 0.020 0.000 1.119 49 I CA 1.009 62.314 61.300 0.009 0.000 1.384 49 I CB -0.238 37.765 38.000 0.004 0.000 1.062 49 I HN 0.622 nan 8.210 nan 0.000 0.426 50 E N 1.185 121.403 120.200 0.030 0.000 2.267 50 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 50 E C 1.342 177.967 176.600 0.042 0.000 0.998 50 E CA 1.247 57.673 56.400 0.042 0.000 0.830 50 E CB -0.310 29.417 29.700 0.045 0.000 0.751 50 E HN 0.630 nan 8.360 nan 0.000 0.491 51 D N 0.088 120.508 120.400 0.033 0.000 2.348 51 D HA 0.057 4.697 4.640 -0.000 0.000 0.211 51 D C 0.919 177.238 176.300 0.032 0.000 0.998 51 D CA 0.257 54.276 54.000 0.033 0.000 0.873 51 D CB 0.210 41.026 40.800 0.027 0.000 0.925 51 D HN 0.292 nan 8.370 nan 0.000 0.524 52 I N -0.909 119.678 120.570 0.027 0.000 2.433 52 I HA 0.279 4.449 4.170 -0.000 0.000 0.292 52 I C 0.086 176.215 176.117 0.020 0.000 1.001 52 I CA -1.333 59.981 61.300 0.023 0.000 1.119 52 I CB 1.900 39.910 38.000 0.016 0.000 1.289 52 I HN -0.260 nan 8.210 nan 0.000 0.438 53 C N 7.915 127.232 119.300 0.027 0.000 2.887 53 C HA 0.107 4.567 4.460 -0.000 0.000 0.392 53 C C 2.109 177.096 174.990 -0.005 0.000 1.191 53 C CA -0.465 58.570 59.018 0.028 0.000 1.252 53 C CB -2.033 25.733 27.740 0.043 0.000 1.926 53 C HN 0.876 nan 8.230 nan 0.000 0.589 54 I N 2.215 122.761 120.570 -0.041 0.000 2.874 54 I HA -0.120 4.050 4.170 -0.000 0.000 0.271 54 I C 2.003 178.058 176.117 -0.102 0.000 1.263 54 I CA 0.966 62.210 61.300 -0.094 0.000 1.443 54 I CB -1.179 36.721 38.000 -0.166 0.000 1.100 54 I HN 0.610 nan 8.210 nan 0.000 0.480 55 C N 1.604 120.872 119.300 -0.054 0.000 3.244 55 C HA -0.092 4.367 4.460 -0.000 0.000 0.291 55 C C 3.227 178.216 174.990 -0.002 0.000 1.295 55 C CA 1.167 60.176 59.018 -0.015 0.000 1.739 55 C CB -0.492 27.280 27.740 0.053 0.000 2.165 55 C HN 0.868 nan 8.230 nan 0.000 0.497 56 C N -0.051 119.259 119.300 0.017 0.000 2.563 56 C HA 0.500 4.960 4.460 -0.000 0.000 0.268 56 C C 1.894 176.888 174.990 0.008 0.000 1.365 56 C CA 0.600 59.628 59.018 0.017 0.000 1.754 56 C CB -1.012 26.747 27.740 0.030 0.000 1.932 56 C HN 1.003 nan 8.230 nan 0.000 0.536 57 G N 0.634 109.437 108.800 0.004 0.000 2.259 57 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 57 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 57 G C 0.371 175.278 174.900 0.013 0.000 1.001 57 G CA 0.423 45.525 45.100 0.003 0.000 0.627 57 G HN 1.008 nan 8.290 nan 0.000 0.501 58 S N -0.219 115.493 115.700 0.019 0.000 2.549 58 S HA 0.282 4.752 4.470 -0.000 0.000 0.278 58 S C 1.563 176.179 174.600 0.027 0.000 1.344 58 S CA 0.625 58.839 58.200 0.024 0.000 1.025 58 S CB 0.450 63.668 63.200 0.030 0.000 0.851 58 S HN 0.586 nan 8.310 nan 0.000 0.530 59 L N 2.235 123.473 121.223 0.026 0.000 2.554 59 L HA 0.214 4.554 4.340 -0.000 0.000 0.225 59 L C 1.228 178.116 176.870 0.029 0.000 1.104 59 L CA 0.662 55.519 54.840 0.027 0.000 0.866 59 L CB -0.460 41.613 42.059 0.025 0.000 1.047 59 L HN 0.780 nan 8.230 nan 0.000 0.468 60 Q N 1.088 120.907 119.800 0.030 0.000 2.810 60 Q HA 0.388 4.728 4.340 -0.000 0.000 0.236 60 Q C -0.381 175.648 176.000 0.049 0.000 1.278 60 Q CA -0.414 55.407 55.803 0.031 0.000 1.065 60 Q CB 0.356 29.107 28.738 0.021 0.000 1.364 60 Q HN 0.160 nan 8.270 nan 0.000 0.570 61 V N -0.672 119.278 119.914 0.059 0.000 2.811 61 V HA 0.039 4.159 4.120 -0.000 0.000 0.302 61 V C 0.821 176.993 176.094 0.130 0.000 1.063 61 V CA -0.262 62.093 62.300 0.093 0.000 1.088 61 V CB 0.958 32.831 31.823 0.084 0.000 0.982 61 V HN 0.706 nan 8.190 nan 0.000 0.485 62 H N 2.294 121.389 119.070 0.042 0.000 2.292 62 H HA 0.262 4.818 4.556 -0.000 0.000 0.325 62 H C 1.155 176.507 175.328 0.040 0.000 1.119 62 H CA 1.685 57.755 56.048 0.036 0.000 1.617 62 H CB 0.780 30.566 29.762 0.040 0.000 1.502 62 H HN 0.832 nan 8.280 nan 0.000 0.615 63 T N -0.568 114.108 114.554 0.203 0.000 2.768 63 T HA 0.417 4.767 4.350 -0.000 0.000 0.268 63 T C -0.572 174.189 174.700 0.101 0.000 0.969 63 T CA -0.620 61.533 62.100 0.089 0.000 1.008 63 T CB 1.059 69.873 68.868 -0.090 0.000 1.371 63 T HN 0.550 nan 8.240 nan 0.000 0.587 64 Q N 0.128 119.989 119.800 0.101 0.000 2.195 64 Q HA 0.444 4.784 4.340 -0.000 0.000 0.250 64 Q C -0.959 175.070 176.000 0.048 0.000 0.988 64 Q CA -0.819 55.038 55.803 0.090 0.000 0.911 64 Q CB 0.727 29.516 28.738 0.086 0.000 1.258 64 Q HN 0.734 nan 8.270 nan 0.000 0.475 65 H N 0.819 119.847 119.070 -0.070 0.000 2.722 65 H HA 0.155 4.711 4.556 -0.000 0.000 0.328 65 H C -2.031 173.169 175.328 -0.214 0.000 1.067 65 H CA -1.268 54.651 56.048 -0.215 0.000 1.447 65 H CB 1.307 30.993 29.762 -0.126 0.000 1.469 65 H HN 0.492 nan 8.280 nan 0.000 0.544 66 P HA -0.204 nan 4.420 nan 0.000 0.210 66 P C 1.273 178.459 177.300 -0.190 0.000 1.189 66 P CA 1.515 64.326 63.100 -0.482 0.000 0.920 66 P CB 0.261 31.518 31.700 -0.737 0.000 0.782 67 L N -3.671 117.407 121.223 -0.241 0.000 2.109 67 L HA 0.030 4.370 4.340 -0.000 0.000 0.207 67 L C 0.770 177.343 176.870 -0.494 0.000 1.086 67 L CA 0.906 55.566 54.840 -0.300 0.000 0.760 67 L CB -0.578 41.239 42.059 -0.404 0.000 0.910 67 L HN -0.075 nan 8.230 nan 0.000 0.437 68 F N -0.748 119.409 119.950 0.345 0.000 2.577 68 F HA 0.290 4.817 4.527 -0.000 0.000 0.318 68 F C 0.517 176.355 175.800 0.062 0.000 1.065 68 F CA -1.156 56.889 58.000 0.076 0.000 0.929 68 F CB 1.263 40.199 39.000 -0.108 0.000 1.237 68 F HN -0.194 nan 8.300 nan 0.000 0.468 69 E N 1.540 121.864 120.200 0.207 0.000 2.463 69 E HA 0.418 4.768 4.350 -0.000 0.000 0.248 69 E C -0.016 176.638 176.600 0.089 0.000 1.106 69 E CA 0.329 56.805 56.400 0.125 0.000 0.946 69 E CB -0.193 29.567 29.700 0.100 0.000 0.971 69 E HN 0.837 nan 8.360 nan 0.000 0.478 70 G N 2.221 111.074 108.800 0.089 0.000 2.328 70 G HA2 0.376 4.336 3.960 -0.000 0.000 0.299 70 G HA3 0.376 4.336 3.960 -0.000 0.000 0.299 70 G C -0.419 174.530 174.900 0.083 0.000 1.435 70 G CA -0.538 44.593 45.100 0.051 0.000 0.865 70 G HN 0.648 nan 8.290 nan 0.000 0.601 71 G N -1.303 107.533 108.800 0.060 0.000 2.557 71 G HA2 0.728 4.688 3.960 -0.000 0.000 0.302 71 G HA3 0.728 4.688 3.960 -0.000 0.000 0.302 71 G C -0.656 174.293 174.900 0.083 0.000 1.311 71 G CA -0.715 44.432 45.100 0.078 0.000 1.030 71 G HN 0.714 nan 8.290 nan 0.000 0.509 72 I N -0.487 120.137 120.570 0.090 0.000 2.894 72 I HA 0.318 4.488 4.170 -0.000 0.000 0.302 72 I C 0.297 176.484 176.117 0.117 0.000 1.188 72 I CA -0.724 60.629 61.300 0.088 0.000 1.014 72 I CB 1.276 39.304 38.000 0.047 0.000 1.242 72 I HN 0.783 nan 8.210 nan 0.000 0.430 73 C N 1.895 121.264 119.300 0.114 0.000 2.351 73 C HA 0.816 5.276 4.460 -0.000 0.000 0.359 73 C C 1.849 176.944 174.990 0.175 0.000 1.193 73 C CA 0.009 59.107 59.018 0.134 0.000 2.270 73 C CB 1.060 28.855 27.740 0.090 0.000 2.369 73 C HN 0.992 nan 8.230 nan 0.000 0.553 74 A N 2.194 125.139 122.820 0.208 0.000 1.849 74 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 74 A C -0.043 177.639 177.584 0.162 0.000 1.202 74 A CA 2.450 54.638 52.037 0.252 0.000 0.629 74 A CB -2.257 16.836 19.000 0.155 0.000 0.834 74 A HN 0.821 nan 8.150 nan 0.000 0.447 75 P HA -0.153 nan 4.420 nan 0.000 0.217 75 P C 1.560 178.925 177.300 0.109 0.000 1.151 75 P CA 1.534 64.691 63.100 0.094 0.000 0.849 75 P CB -0.273 31.469 31.700 0.071 0.000 0.787 76 C N -0.381 118.990 119.300 0.118 0.000 2.476 76 C HA -0.041 4.419 4.460 -0.000 0.000 0.278 76 C C 2.669 177.767 174.990 0.179 0.000 1.274 76 C CA 0.673 59.774 59.018 0.137 0.000 1.713 76 C CB -1.274 26.539 27.740 0.121 0.000 2.039 76 C HN 0.265 nan 8.230 nan 0.000 0.484 77 K N 1.292 121.791 120.400 0.164 0.000 2.103 77 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 77 K C 1.142 177.884 176.600 0.237 0.000 1.048 77 K CA 2.110 58.521 56.287 0.207 0.000 0.930 77 K CB -0.649 31.940 32.500 0.148 0.000 0.716 77 K HN 0.393 nan 8.250 nan 0.000 0.444 78 D N 0.541 121.039 120.400 0.163 0.000 2.264 78 D HA -0.092 4.548 4.640 -0.000 0.000 0.208 78 D C 2.035 178.421 176.300 0.144 0.000 0.966 78 D CA 1.822 55.899 54.000 0.128 0.000 0.864 78 D CB -0.026 40.829 40.800 0.091 0.000 0.933 78 D HN 0.483 nan 8.370 nan 0.000 0.499 79 K N -0.048 120.456 120.400 0.173 0.000 2.305 79 K HA 0.042 4.362 4.320 -0.000 0.000 0.199 79 K C 1.757 178.470 176.600 0.188 0.000 1.047 79 K CA 0.223 56.609 56.287 0.164 0.000 0.976 79 K CB -0.974 31.624 32.500 0.164 0.000 0.765 79 K HN 0.186 nan 8.250 nan 0.000 0.474 80 F N 1.209 121.207 119.950 0.080 0.000 2.074 80 F HA 0.056 4.583 4.527 -0.000 0.000 0.293 80 F C 2.012 177.851 175.800 0.065 0.000 1.116 80 F CA 1.241 59.275 58.000 0.055 0.000 1.212 80 F CB -0.006 39.017 39.000 0.038 0.000 0.998 80 F HN 0.032 nan 8.300 nan 0.000 0.471 81 L N -0.072 121.385 121.223 0.389 0.000 2.129 81 L HA -0.288 4.052 4.340 -0.000 0.000 0.212 81 L C 1.906 178.831 176.870 0.092 0.000 1.087 81 L CA 1.478 56.467 54.840 0.249 0.000 0.757 81 L CB -0.871 41.274 42.059 0.142 0.000 0.896 81 L HN 0.230 nan 8.230 nan 0.000 0.434 82 D N 0.082 120.512 120.400 0.051 0.000 2.310 82 D HA -0.059 4.581 4.640 -0.000 0.000 0.212 82 D C 1.309 177.531 176.300 -0.130 0.000 0.965 82 D CA 1.209 55.201 54.000 -0.014 0.000 0.879 82 D CB 0.385 41.194 40.800 0.015 0.000 0.921 82 D HN 0.358 nan 8.370 nan 0.000 0.510 83 A N -0.035 122.649 122.820 -0.227 0.000 2.616 83 A HA 0.246 4.566 4.320 -0.000 0.000 0.294 83 A C 1.632 178.994 177.584 -0.371 0.000 1.091 83 A CA -0.347 51.429 52.037 -0.435 0.000 0.971 83 A CB -0.059 18.479 19.000 -0.770 0.000 1.222 83 A HN 0.068 nan 8.150 nan 0.000 0.521 84 L N -1.528 119.583 121.223 -0.188 0.000 2.079 84 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 84 L C 0.688 177.363 176.870 -0.325 0.000 1.081 84 L CA 1.558 56.287 54.840 -0.184 0.000 0.752 84 L CB -0.145 42.016 42.059 0.171 0.000 0.896 84 L HN 0.557 nan 8.230 nan 0.000 0.433 85 F N -0.910 119.034 119.950 -0.010 0.000 2.749 85 F HA 0.257 4.784 4.527 -0.000 0.000 0.380 85 F C -0.217 175.701 175.800 0.197 0.000 1.365 85 F CA -0.664 57.401 58.000 0.109 0.000 1.186 85 F CB 0.517 39.521 39.000 0.007 0.000 1.080 85 F HN -0.236 nan 8.300 nan 0.000 0.513 86 L N 1.479 122.785 121.223 0.138 0.000 2.319 86 L HA 0.228 4.568 4.340 -0.000 0.000 0.280 86 L C -0.704 176.273 176.870 0.178 0.000 1.099 86 L CA -0.031 54.859 54.840 0.082 0.000 0.828 86 L CB -0.170 41.756 42.059 -0.221 0.000 1.150 86 L HN 0.148 nan 8.230 nan 0.000 0.442 87 Y N 1.096 121.383 120.300 -0.023 0.000 2.462 87 Y HA 0.332 4.882 4.550 -0.000 0.000 0.346 87 Y C 0.593 176.517 175.900 0.040 0.000 0.976 87 Y CA -1.354 56.751 58.100 0.007 0.000 1.044 87 Y CB 1.352 39.814 38.460 0.004 0.000 1.230 87 Y HN 0.521 nan 8.280 nan 0.000 0.455 88 D N 1.906 122.387 120.400 0.135 0.000 2.400 88 D HA -0.060 4.580 4.640 -0.000 0.000 0.238 88 D C 0.396 176.774 176.300 0.129 0.000 1.157 88 D CA 0.415 54.488 54.000 0.123 0.000 0.889 88 D CB 0.919 41.779 40.800 0.100 0.000 1.199 88 D HN 0.631 nan 8.370 nan 0.000 0.436 89 D N 0.709 121.177 120.400 0.114 0.000 2.429 89 D HA -0.158 4.482 4.640 -0.000 0.000 0.230 89 D C 0.585 176.932 176.300 0.078 0.000 1.005 89 D CA 1.154 55.214 54.000 0.099 0.000 0.963 89 D CB 0.495 41.346 40.800 0.085 0.000 0.872 89 D HN 0.400 nan 8.370 nan 0.000 0.524 90 D N -1.958 118.488 120.400 0.077 0.000 2.090 90 D HA -0.015 4.625 4.640 -0.000 0.000 0.132 90 D C 1.164 177.482 176.300 0.030 0.000 1.489 90 D CA 0.665 54.694 54.000 0.049 0.000 1.067 90 D CB -0.476 40.349 40.800 0.042 0.000 2.840 90 D HN 0.104 nan 8.370 nan 0.000 0.222 91 G N 0.079 108.915 108.800 0.060 0.000 2.378 91 G HA2 0.141 4.101 3.960 -0.000 0.000 0.334 91 G HA3 0.141 4.101 3.960 -0.000 0.000 0.334 91 G C 0.305 175.224 174.900 0.031 0.000 1.339 91 G CA 0.334 45.486 45.100 0.086 0.000 1.158 91 G HN 0.163 nan 8.290 nan 0.000 0.636 92 Y N -0.675 119.578 120.300 -0.077 0.000 2.433 92 Y HA 0.230 4.780 4.550 -0.000 0.000 0.411 92 Y C 1.676 177.350 175.900 -0.377 0.000 1.383 92 Y CA -0.494 57.494 58.100 -0.186 0.000 1.896 92 Y CB -0.572 37.798 38.460 -0.151 0.000 1.750 92 Y HN 0.417 nan 8.280 nan 0.000 0.627 93 Q N -0.227 119.363 119.800 -0.349 0.000 2.479 93 Q HA 0.007 4.347 4.340 -0.000 0.000 0.267 93 Q C 0.956 176.824 176.000 -0.220 0.000 1.071 93 Q CA 0.375 55.837 55.803 -0.569 0.000 0.935 93 Q CB 0.441 28.896 28.738 -0.471 0.000 1.295 93 Q HN 0.661 nan 8.270 nan 0.000 0.476 94 S N -0.037 115.586 115.700 -0.129 0.000 2.387 94 S HA 0.043 4.513 4.470 -0.000 0.000 0.221 94 S C 0.141 174.929 174.600 0.314 0.000 1.041 94 S CA 0.474 58.762 58.200 0.146 0.000 0.959 94 S CB 0.152 63.537 63.200 0.308 0.000 0.843 94 S HN 0.437 nan 8.310 nan 0.000 0.488 95 Y N -0.046 120.147 120.300 -0.178 0.000 2.480 95 Y HA 0.360 4.910 4.550 -0.000 0.000 0.323 95 Y C 0.760 176.542 175.900 -0.197 0.000 1.267 95 Y CA -1.589 56.412 58.100 -0.164 0.000 1.336 95 Y CB 0.392 38.761 38.460 -0.151 0.000 1.361 95 Y HN 0.020 nan 8.280 nan 0.000 0.518 96 C N 2.003 121.298 119.300 -0.007 0.000 2.648 96 C HA -0.033 4.427 4.460 -0.000 0.000 0.406 96 C C 1.647 176.566 174.990 -0.118 0.000 1.406 96 C CA 0.108 59.080 59.018 -0.077 0.000 1.610 96 C CB -1.341 26.379 27.740 -0.033 0.000 2.451 96 C HN 0.948 nan 8.230 nan 0.000 0.608 97 S N 4.201 119.710 115.700 -0.318 0.000 2.441 97 S HA -0.170 4.300 4.470 -0.000 0.000 0.242 97 S C 1.470 176.089 174.600 0.031 0.000 1.018 97 S CA 1.877 59.884 58.200 -0.322 0.000 0.988 97 S CB -0.145 62.602 63.200 -0.755 0.000 0.778 97 S HN 0.871 nan 8.310 nan 0.000 0.498 98 I N -0.187 120.432 120.570 0.082 0.000 3.172 98 I HA 0.018 4.188 4.170 -0.000 0.000 0.278 98 I C 2.210 178.476 176.117 0.249 0.000 1.174 98 I CA 0.658 62.081 61.300 0.205 0.000 1.445 98 I CB 0.159 38.122 38.000 -0.062 0.000 1.175 98 I HN 0.506 nan 8.210 nan 0.000 0.447 99 C N -1.903 117.489 119.300 0.154 0.000 3.449 99 C HA 0.332 4.792 4.460 -0.000 0.000 0.404 99 C C 1.493 176.587 174.990 0.175 0.000 1.383 99 C CA -0.315 58.799 59.018 0.160 0.000 1.936 99 C CB -0.029 27.748 27.740 0.062 0.000 2.738 99 C HN 0.647 nan 8.230 nan 0.000 0.663 100 C N 2.770 122.145 119.300 0.125 0.000 4.924 100 C HA -0.090 4.370 4.460 -0.000 0.000 0.239 100 C C 0.975 176.022 174.990 0.095 0.000 1.180 100 C CA 0.472 59.595 59.018 0.175 0.000 1.530 100 C CB -3.484 24.389 27.740 0.221 0.000 1.701 100 C HN 0.994 nan 8.230 nan 0.000 0.666 101 S N 0.983 116.671 115.700 -0.020 0.000 2.589 101 S HA 0.538 5.008 4.470 -0.000 0.000 0.265 101 S C 1.160 175.579 174.600 -0.302 0.000 1.342 101 S CA 0.364 58.487 58.200 -0.127 0.000 1.005 101 S CB 1.436 64.588 63.200 -0.080 0.000 0.909 101 S HN 0.957 nan 8.310 nan 0.000 0.555 102 G N 0.876 109.463 108.800 -0.356 0.000 2.542 102 G HA2 0.187 4.147 3.960 -0.000 0.000 0.211 102 G HA3 0.187 4.147 3.960 -0.000 0.000 0.211 102 G C 0.228 174.981 174.900 -0.244 0.000 1.702 102 G CA -0.155 44.690 45.100 -0.426 0.000 0.935 102 G HN 0.963 nan 8.290 nan 0.000 0.509 103 E N 0.699 120.796 120.200 -0.171 0.000 2.485 103 E HA 0.168 4.518 4.350 -0.000 0.000 0.266 103 E C -0.052 176.476 176.600 -0.120 0.000 1.137 103 E CA 0.902 57.235 56.400 -0.113 0.000 1.010 103 E CB -0.510 29.150 29.700 -0.065 0.000 0.986 103 E HN 1.059 nan 8.360 nan 0.000 0.460 104 T N -0.768 113.723 114.554 -0.105 0.000 2.340 104 T HA -0.128 4.222 4.350 -0.000 0.000 0.534 104 T C -0.607 173.773 174.700 -0.533 0.000 0.845 104 T CA 0.469 62.448 62.100 -0.201 0.000 2.838 104 T CB -2.101 66.794 68.868 0.044 0.000 1.755 104 T HN 0.493 nan 8.240 nan 0.000 0.500 105 L N 2.792 123.689 121.223 -0.542 0.000 2.371 105 L HA 0.755 5.095 4.340 -0.000 0.000 0.262 105 L C 0.186 176.798 176.870 -0.431 0.000 1.006 105 L CA -1.445 53.119 54.840 -0.460 0.000 0.818 105 L CB 2.175 44.094 42.059 -0.234 0.000 1.354 105 L HN 0.558 nan 8.230 nan 0.000 0.415 106 L N 3.615 124.669 121.223 -0.282 0.000 2.433 106 L HA 0.379 4.719 4.340 -0.000 0.000 0.256 106 L C -0.274 176.634 176.870 0.063 0.000 1.063 106 L CA -0.618 54.124 54.840 -0.163 0.000 0.922 106 L CB 1.081 42.963 42.059 -0.296 0.000 1.238 106 L HN 0.392 nan 8.230 nan 0.000 0.466 107 I N 0.675 121.228 120.570 -0.029 0.000 2.872 107 I HA -0.140 4.030 4.170 -0.000 0.000 0.291 107 I C 0.853 177.061 176.117 0.152 0.000 1.216 107 I CA 0.212 61.450 61.300 -0.103 0.000 1.424 107 I CB 0.769 38.537 38.000 -0.387 0.000 1.351 107 I HN 0.568 nan 8.210 nan 0.000 0.592 108 C N 5.794 125.127 119.300 0.056 0.000 2.576 108 C HA 0.407 4.867 4.460 -0.000 0.000 0.401 108 C C 1.816 176.838 174.990 0.053 0.000 1.314 108 C CA -0.171 58.882 59.018 0.059 0.000 1.855 108 C CB -0.224 27.491 27.740 -0.042 0.000 2.537 108 C HN 0.995 nan 8.230 nan 0.000 0.578 109 G N 4.857 113.709 108.800 0.087 0.000 2.471 109 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.219 109 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.219 109 G C 0.849 175.796 174.900 0.078 0.000 1.125 109 G CA 0.063 45.219 45.100 0.094 0.000 0.775 109 G HN 0.838 nan 8.290 nan 0.000 0.548 110 N N 0.900 119.618 118.700 0.030 0.000 2.395 110 N HA 0.052 4.792 4.740 -0.000 0.000 0.246 110 N C -1.402 174.175 175.510 0.111 0.000 1.246 110 N CA -0.935 52.142 53.050 0.045 0.000 0.879 110 N CB 1.735 40.224 38.487 0.003 0.000 1.098 110 N HN -0.099 nan 8.380 nan 0.000 0.444 111 P HA -0.019 nan 4.420 nan 0.000 0.213 111 P C -0.325 177.033 177.300 0.097 0.000 1.169 111 P CA 1.132 64.307 63.100 0.125 0.000 0.885 111 P CB -0.017 31.763 31.700 0.134 0.000 0.779 112 D N -1.354 119.108 120.400 0.104 0.000 2.856 112 D HA 0.089 4.729 4.640 -0.000 0.000 0.242 112 D C -0.521 175.801 176.300 0.036 0.000 1.226 112 D CA -0.341 53.699 54.000 0.066 0.000 0.855 112 D CB -1.330 39.540 40.800 0.117 0.000 1.065 112 D HN -0.024 nan 8.370 nan 0.000 0.462 113 C N 1.125 120.459 119.300 0.056 0.000 2.505 113 C HA 0.447 4.907 4.460 -0.000 0.000 0.342 113 C C 1.432 176.542 174.990 0.201 0.000 1.121 113 C CA -0.195 58.876 59.018 0.088 0.000 1.306 113 C CB 0.538 28.325 27.740 0.078 0.000 1.897 113 C HN 0.515 nan 8.230 nan 0.000 0.446 114 T N 2.116 116.759 114.554 0.149 0.000 3.054 114 T HA 0.124 4.474 4.350 -0.000 0.000 0.259 114 T C 0.986 175.773 174.700 0.145 0.000 1.092 114 T CA 0.021 62.293 62.100 0.287 0.000 1.121 114 T CB -0.129 68.723 68.868 -0.028 0.000 0.912 114 T HN 0.748 nan 8.240 nan 0.000 0.489 115 R N 1.693 122.196 120.500 0.006 0.000 2.767 115 R HA 0.230 4.570 4.340 -0.000 0.000 0.264 115 R C 0.369 176.620 176.300 -0.083 0.000 0.987 115 R CA 0.612 56.649 56.100 -0.105 0.000 1.114 115 R CB -0.666 29.599 30.300 -0.058 0.000 0.976 115 R HN 0.721 nan 8.270 nan 0.000 0.437 116 C N -0.462 118.732 119.300 -0.178 0.000 3.279 116 C HA 0.552 5.012 4.460 -0.000 0.000 0.386 116 C C -1.409 173.546 174.990 -0.059 0.000 1.081 116 C CA -1.365 57.673 59.018 0.032 0.000 1.192 116 C CB 0.245 27.920 27.740 -0.108 0.000 1.552 116 C HN 0.788 nan 8.230 nan 0.000 0.559 117 Y N 0.814 121.148 120.300 0.057 0.000 2.485 117 Y HA 0.668 5.218 4.550 -0.000 0.000 0.345 117 Y C 1.148 176.960 175.900 -0.147 0.000 0.998 117 Y CA -0.862 57.243 58.100 0.008 0.000 1.059 117 Y CB 1.334 39.880 38.460 0.143 0.000 1.234 117 Y HN 1.110 nan 8.280 nan 0.000 0.461 118 C N 1.461 120.759 119.300 -0.005 0.000 2.605 118 C HA 0.329 4.789 4.460 -0.000 0.000 0.404 118 C C 1.513 176.442 174.990 -0.102 0.000 1.284 118 C CA -0.564 58.358 59.018 -0.160 0.000 2.199 118 C CB -0.848 26.834 27.740 -0.097 0.000 2.647 118 C HN 0.986 nan 8.230 nan 0.000 0.604 119 F N 1.059 120.989 119.950 -0.032 0.000 2.043 119 F HA -0.161 4.366 4.527 -0.000 0.000 0.297 119 F C 2.558 178.320 175.800 -0.063 0.000 1.121 119 F CA 2.428 60.390 58.000 -0.062 0.000 1.199 119 F CB -0.306 38.646 39.000 -0.080 0.000 0.968 119 F HN 0.741 nan 8.300 nan 0.000 0.478 120 E N -0.471 119.819 120.200 0.150 0.000 2.038 120 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 120 E C 2.270 178.875 176.600 0.009 0.000 1.000 120 E CA 1.598 58.031 56.400 0.054 0.000 0.803 120 E CB -0.820 28.898 29.700 0.029 0.000 0.750 120 E HN 0.418 nan 8.360 nan 0.000 0.448 121 C N 0.800 120.096 119.300 -0.006 0.000 2.363 121 C HA -0.199 4.261 4.460 -0.000 0.000 0.274 121 C C 2.838 177.773 174.990 -0.093 0.000 1.183 121 C CA 1.088 60.073 59.018 -0.054 0.000 1.771 121 C CB -0.913 26.804 27.740 -0.037 0.000 2.059 121 C HN 0.274 nan 8.230 nan 0.000 0.455 122 V N 1.114 120.996 119.914 -0.054 0.000 2.214 122 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 122 V C 2.200 178.254 176.094 -0.067 0.000 1.051 122 V CA 2.528 64.783 62.300 -0.075 0.000 1.003 122 V CB -0.938 30.885 31.823 0.000 0.000 0.635 122 V HN 0.508 nan 8.190 nan 0.000 0.447 123 D N 0.723 121.109 120.400 -0.024 0.000 2.133 123 D HA -0.169 4.471 4.640 -0.000 0.000 0.195 123 D C 2.404 178.678 176.300 -0.043 0.000 0.997 123 D CA 2.094 56.076 54.000 -0.030 0.000 0.840 123 D CB -0.323 40.463 40.800 -0.023 0.000 0.947 123 D HN 0.640 nan 8.370 nan 0.000 0.452 124 S N -0.085 115.587 115.700 -0.047 0.000 2.402 124 S HA -0.076 4.394 4.470 -0.000 0.000 0.229 124 S C 2.169 176.727 174.600 -0.069 0.000 1.021 124 S CA 0.687 58.858 58.200 -0.050 0.000 0.974 124 S CB -0.303 62.869 63.200 -0.046 0.000 0.800 124 S HN 0.234 nan 8.310 nan 0.000 0.484 125 L N 0.144 121.301 121.223 -0.110 0.000 2.435 125 L HA 0.345 4.685 4.340 -0.000 0.000 0.195 125 L C 2.581 179.368 176.870 -0.138 0.000 1.072 125 L CA 0.458 55.213 54.840 -0.142 0.000 0.833 125 L CB -0.552 41.370 42.059 -0.229 0.000 1.081 125 L HN 0.260 nan 8.230 nan 0.000 0.485 126 V N -0.085 119.733 119.914 -0.159 0.000 2.667 126 V HA 0.263 4.383 4.120 -0.000 0.000 0.252 126 V C 0.789 176.857 176.094 -0.044 0.000 1.065 126 V CA 1.395 63.630 62.300 -0.109 0.000 1.083 126 V CB -0.112 31.665 31.823 -0.078 0.000 0.692 126 V HN 0.540 nan 8.190 nan 0.000 0.468 127 G N -0.139 108.635 108.800 -0.043 0.000 2.347 127 G HA2 0.176 4.136 3.960 -0.000 0.000 0.321 127 G HA3 0.176 4.136 3.960 -0.000 0.000 0.321 127 G C -3.437 171.447 174.900 -0.025 0.000 1.412 127 G CA -0.293 44.792 45.100 -0.024 0.000 0.990 127 G HN 0.193 nan 8.290 nan 0.000 0.637 128 P HA 0.514 nan 4.420 nan 0.000 0.288 128 P C 0.826 178.107 177.300 -0.032 0.000 1.267 128 P CA 1.075 64.158 63.100 -0.029 0.000 0.815 128 P CB 1.494 33.179 31.700 -0.025 0.000 0.989 129 G N 2.199 110.972 108.800 -0.045 0.000 2.141 129 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.242 129 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.242 129 G C 0.698 175.568 174.900 -0.050 0.000 0.982 129 G CA 0.641 45.710 45.100 -0.052 0.000 0.662 129 G HN 0.657 nan 8.290 nan 0.000 0.527 130 T N -1.686 112.842 114.554 -0.043 0.000 3.010 130 T HA 0.152 4.502 4.350 -0.000 0.000 0.252 130 T C 2.708 177.372 174.700 -0.060 0.000 1.047 130 T CA 1.671 63.747 62.100 -0.040 0.000 1.140 130 T CB -0.477 68.384 68.868 -0.012 0.000 0.885 130 T HN 1.217 nan 8.240 nan 0.000 0.464 131 S N 2.086 117.763 115.700 -0.038 0.000 2.387 131 S HA -0.027 4.443 4.470 -0.000 0.000 0.230 131 S C 2.352 176.914 174.600 -0.064 0.000 1.035 131 S CA 1.302 59.515 58.200 0.021 0.000 1.014 131 S CB -1.537 61.715 63.200 0.087 0.000 0.836 131 S HN 0.653 nan 8.310 nan 0.000 0.466 132 G N 1.990 110.710 108.800 -0.133 0.000 2.433 132 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 132 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 132 G C 1.512 176.376 174.900 -0.059 0.000 1.186 132 G CA 0.837 45.862 45.100 -0.125 0.000 0.779 132 G HN 0.563 nan 8.290 nan 0.000 0.543 133 K N -0.039 120.320 120.400 -0.068 0.000 2.020 133 K HA -0.102 4.218 4.320 -0.000 0.000 0.212 133 K C 2.605 179.142 176.600 -0.105 0.000 1.050 133 K CA 1.442 57.689 56.287 -0.066 0.000 0.929 133 K CB -0.578 31.888 32.500 -0.057 0.000 0.714 133 K HN 0.207 nan 8.250 nan 0.000 0.443 134 V N 0.777 120.579 119.914 -0.187 0.000 2.220 134 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 134 V C 2.234 178.182 176.094 -0.244 0.000 1.049 134 V CA 2.344 64.405 62.300 -0.399 0.000 1.003 134 V CB -0.683 30.728 31.823 -0.687 0.000 0.634 134 V HN 0.410 nan 8.190 nan 0.000 0.444 135 H N 0.213 119.186 119.070 -0.161 0.000 2.466 135 H HA -0.188 4.368 4.556 -0.000 0.000 0.297 135 H C 1.977 177.272 175.328 -0.055 0.000 1.113 135 H CA 1.779 57.801 56.048 -0.043 0.000 1.273 135 H CB -0.089 29.709 29.762 0.059 0.000 1.371 135 H HN 0.427 nan 8.280 nan 0.000 0.528 136 A N 0.316 123.124 122.820 -0.020 0.000 1.970 136 A HA 0.089 4.409 4.320 -0.000 0.000 0.216 136 A C 1.277 178.821 177.584 -0.068 0.000 1.170 136 A CA 0.302 52.319 52.037 -0.033 0.000 0.645 136 A CB -0.233 18.762 19.000 -0.007 0.000 0.816 136 A HN 0.375 nan 8.150 nan 0.000 0.447 137 M N 0.034 119.588 119.600 -0.078 0.000 2.240 137 M HA 0.076 4.556 4.480 -0.000 0.000 0.317 137 M C 1.091 177.376 176.300 -0.026 0.000 1.087 137 M CA -0.002 55.277 55.300 -0.035 0.000 1.176 137 M CB 0.707 33.303 32.600 -0.008 0.000 1.439 137 M HN 0.233 nan 8.290 nan 0.000 0.452 138 S N 0.228 115.935 115.700 0.012 0.000 2.468 138 S HA 0.132 4.602 4.470 -0.000 0.000 0.226 138 S C 0.317 174.949 174.600 0.053 0.000 1.051 138 S CA 0.259 58.469 58.200 0.017 0.000 0.943 138 S CB 0.273 63.482 63.200 0.015 0.000 0.810 138 S HN 0.646 nan 8.310 nan 0.000 0.509 139 N N 0.716 119.463 118.700 0.078 0.000 2.746 139 N HA 0.239 4.979 4.740 -0.000 0.000 0.250 139 N C -1.808 173.790 175.510 0.147 0.000 1.146 139 N CA -0.191 52.915 53.050 0.094 0.000 0.828 139 N CB 1.089 39.612 38.487 0.060 0.000 1.158 139 N HN 0.318 nan 8.380 nan 0.000 0.519 140 W N 2.907 124.180 121.300 -0.046 0.000 2.496 140 W HA 0.513 5.173 4.660 -0.000 0.000 0.327 140 W C -0.844 175.629 176.519 -0.078 0.000 1.086 140 W CA -0.615 56.685 57.345 -0.076 0.000 1.222 140 W CB 1.000 30.402 29.460 -0.096 0.000 1.304 140 W HN -0.031 nan 8.180 nan 0.000 0.547 141 V N 8.069 127.532 119.914 -0.752 0.000 2.357 141 V HA 0.133 4.253 4.120 -0.000 0.000 0.284 141 V C 0.883 176.097 176.094 -1.468 0.000 1.018 141 V CA -1.194 60.636 62.300 -0.783 0.000 0.841 141 V CB -0.080 31.506 31.823 -0.396 0.000 0.991 141 V HN 0.875 nan 8.190 nan 0.000 0.437 142 C N 5.104 123.564 119.300 -1.399 0.000 2.934 142 C HA 0.039 4.499 4.460 -0.000 0.000 0.289 142 C C 1.492 175.944 174.990 -0.897 0.000 1.390 142 C CA 0.364 58.510 59.018 -1.454 0.000 1.947 142 C CB -0.387 27.078 27.740 -0.459 0.000 2.186 142 C HN 0.790 nan 8.230 nan 0.000 0.702 143 Y N -0.305 119.823 120.300 -0.286 0.000 2.262 143 Y HA 0.187 4.737 4.550 -0.000 0.000 0.295 143 Y C 2.431 178.354 175.900 0.037 0.000 1.121 143 Y CA 1.030 59.110 58.100 -0.034 0.000 1.144 143 Y CB -0.549 37.995 38.460 0.141 0.000 1.043 143 Y HN 0.422 nan 8.280 nan 0.000 0.528 144 L N -1.403 119.944 121.223 0.207 0.000 2.349 144 L HA -0.247 4.093 4.340 -0.000 0.000 0.220 144 L C 1.918 178.857 176.870 0.116 0.000 1.130 144 L CA 0.571 55.397 54.840 -0.024 0.000 0.791 144 L CB -0.611 41.264 42.059 -0.307 0.000 0.918 144 L HN 0.419 nan 8.230 nan 0.000 0.444 145 C N -0.524 118.803 119.300 0.045 0.000 2.793 145 C HA 0.116 4.576 4.460 -0.000 0.000 0.285 145 C C 1.425 176.429 174.990 0.024 0.000 1.325 145 C CA -0.701 58.335 59.018 0.031 0.000 1.694 145 C CB -0.546 27.139 27.740 -0.092 0.000 2.151 145 C HN 0.371 nan 8.230 nan 0.000 0.532 146 L N 1.246 122.420 121.223 -0.082 0.000 2.503 146 L HA 0.221 4.561 4.340 -0.000 0.000 0.287 146 L C -1.724 175.164 176.870 0.029 0.000 1.252 146 L CA -0.345 54.460 54.840 -0.058 0.000 0.835 146 L CB -1.443 40.533 42.059 -0.138 0.000 1.099 146 L HN 0.081 nan 8.230 nan 0.000 0.516 147 P HA -0.131 nan 4.420 nan 0.000 0.203 147 P C 0.218 177.561 177.300 0.071 0.000 0.968 147 P CA 1.017 64.147 63.100 0.051 0.000 0.904 147 P CB -0.194 31.522 31.700 0.026 0.000 0.646 148 S N -1.245 114.491 115.700 0.061 0.000 2.593 148 S HA -0.092 4.378 4.470 -0.000 0.000 0.303 148 S C 1.583 176.248 174.600 0.109 0.000 1.267 148 S CA 0.594 58.840 58.200 0.076 0.000 1.047 148 S CB -0.240 63.000 63.200 0.067 0.000 0.777 148 S HN 0.215 nan 8.310 nan 0.000 0.498 149 S N 2.989 118.759 115.700 0.117 0.000 2.441 149 S HA 0.177 4.647 4.470 -0.000 0.000 0.224 149 S C 0.865 175.562 174.600 0.162 0.000 1.043 149 S CA 0.006 58.295 58.200 0.148 0.000 0.948 149 S CB -0.072 63.206 63.200 0.130 0.000 0.810 149 S HN 0.731 nan 8.310 nan 0.000 0.504 150 R N 1.620 122.193 120.500 0.121 0.000 2.491 150 R HA 0.361 4.701 4.340 -0.000 0.000 0.283 150 R C -1.110 175.259 176.300 0.116 0.000 1.072 150 R CA 0.500 56.661 56.100 0.102 0.000 1.048 150 R CB 0.527 30.870 30.300 0.072 0.000 0.983 150 R HN 0.124 nan 8.270 nan 0.000 0.450 151 S N 2.723 118.479 115.700 0.093 0.000 2.413 151 S HA 0.395 4.865 4.470 -0.000 0.000 0.170 151 S C 0.242 174.856 174.600 0.024 0.000 1.294 151 S CA -0.212 58.049 58.200 0.102 0.000 1.201 151 S CB 1.035 64.359 63.200 0.206 0.000 1.328 151 S HN 1.003 nan 8.310 nan 0.000 0.418 152 G N 2.491 111.305 108.800 0.024 0.000 3.879 152 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.318 152 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.318 152 G C 0.466 175.357 174.900 -0.016 0.000 1.344 152 G CA 0.854 45.953 45.100 -0.002 0.000 1.024 152 G HN 0.600 nan 8.290 nan 0.000 0.681 153 L N -0.133 121.062 121.223 -0.047 0.000 2.840 153 L HA 0.447 4.787 4.340 -0.000 0.000 0.249 153 L C 0.784 177.613 176.870 -0.069 0.000 1.119 153 L CA -0.311 54.500 54.840 -0.047 0.000 0.930 153 L CB 0.467 42.493 42.059 -0.054 0.000 1.295 153 L HN 0.350 nan 8.230 nan 0.000 0.534 154 L N 2.078 123.217 121.223 -0.139 0.000 2.500 154 L HA 0.115 4.455 4.340 -0.000 0.000 0.272 154 L C 0.003 176.876 176.870 0.004 0.000 1.149 154 L CA 0.708 55.414 54.840 -0.223 0.000 0.897 154 L CB 0.268 41.996 42.059 -0.552 0.000 1.178 154 L HN 0.068 nan 8.230 nan 0.000 0.473 155 Q N 4.663 124.559 119.800 0.160 0.000 2.327 155 Q HA 0.371 4.711 4.340 -0.000 0.000 0.270 155 Q C -0.862 175.333 176.000 0.325 0.000 1.022 155 Q CA -0.421 55.508 55.803 0.210 0.000 0.773 155 Q CB 1.080 29.891 28.738 0.123 0.000 1.251 155 Q HN 0.594 nan 8.270 nan 0.000 0.457 156 R N 3.451 124.086 120.500 0.225 0.000 2.298 156 R HA 0.368 4.708 4.340 -0.000 0.000 0.310 156 R C -0.533 175.760 176.300 -0.013 0.000 1.068 156 R CA -0.317 55.721 56.100 -0.102 0.000 0.957 156 R CB 0.583 30.830 30.300 -0.090 0.000 1.003 156 R HN 0.642 nan 8.270 nan 0.000 0.454 157 R N 1.633 122.105 120.500 -0.046 0.000 2.641 157 R HA 0.138 4.478 4.340 -0.000 0.000 0.269 157 R C 0.211 176.629 176.300 0.195 0.000 1.074 157 R CA 0.023 56.178 56.100 0.092 0.000 1.133 157 R CB 0.382 30.744 30.300 0.103 0.000 1.029 157 R HN 0.605 nan 8.270 nan 0.000 0.488 158 R N 1.576 122.172 120.500 0.160 0.000 2.340 158 R HA 0.383 4.723 4.340 -0.000 0.000 0.300 158 R C 0.601 176.985 176.300 0.141 0.000 1.069 158 R CA 0.081 56.279 56.100 0.163 0.000 0.984 158 R CB -0.388 29.981 30.300 0.114 0.000 1.003 158 R HN 0.830 nan 8.270 nan 0.000 0.459 159 K N 2.051 122.512 120.400 0.102 0.000 3.585 159 K HA -0.111 4.209 4.320 -0.000 0.000 0.275 159 K C 0.605 177.219 176.600 0.023 0.000 1.026 159 K CA 1.793 58.078 56.287 -0.002 0.000 0.800 159 K CB -2.752 29.764 32.500 0.027 0.000 1.401 159 K HN 1.525 nan 8.250 nan 0.000 0.453 160 W N -0.388 120.908 121.300 -0.006 0.000 2.574 160 W HA 0.018 4.678 4.660 -0.000 0.000 0.282 160 W C 1.619 178.126 176.519 -0.019 0.000 1.197 160 W CA 0.619 57.942 57.345 -0.038 0.000 1.376 160 W CB -0.194 29.201 29.460 -0.107 0.000 1.091 160 W HN 0.467 nan 8.180 nan 0.000 0.569 161 R N 1.378 121.323 120.500 -0.926 0.000 2.154 161 R HA -0.201 4.139 4.340 -0.000 0.000 0.248 161 R C 2.695 178.875 176.300 -0.200 0.000 1.155 161 R CA 2.371 58.023 56.100 -0.748 0.000 0.979 161 R CB -0.556 29.158 30.300 -0.977 0.000 0.869 161 R HN 0.231 nan 8.270 nan 0.000 0.452 162 S N 0.557 116.165 115.700 -0.153 0.000 2.338 162 S HA -0.208 4.262 4.470 -0.000 0.000 0.218 162 S C 1.969 176.609 174.600 0.068 0.000 1.032 162 S CA 1.115 59.303 58.200 -0.019 0.000 0.999 162 S CB -0.065 63.123 63.200 -0.019 0.000 0.905 162 S HN 0.322 nan 8.310 nan 0.000 0.439 163 Q N 0.229 120.084 119.800 0.090 0.000 2.234 163 Q HA -0.057 4.283 4.340 -0.000 0.000 0.206 163 Q C 2.147 178.262 176.000 0.193 0.000 0.980 163 Q CA 1.272 57.157 55.803 0.136 0.000 0.869 163 Q CB -0.287 28.529 28.738 0.129 0.000 0.912 163 Q HN 0.637 nan 8.270 nan 0.000 0.436 164 L N 0.596 121.941 121.223 0.204 0.000 1.970 164 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 164 L C 2.500 179.578 176.870 0.346 0.000 1.071 164 L CA 1.756 56.751 54.840 0.258 0.000 0.751 164 L CB -0.319 41.909 42.059 0.281 0.000 0.889 164 L HN 0.162 nan 8.230 nan 0.000 0.432 165 K N -0.172 120.388 120.400 0.267 0.000 2.009 165 K HA -0.235 4.085 4.320 -0.000 0.000 0.210 165 K C 1.996 178.757 176.600 0.268 0.000 1.049 165 K CA 1.503 57.949 56.287 0.265 0.000 0.929 165 K CB -0.315 32.285 32.500 0.166 0.000 0.714 165 K HN 0.408 nan 8.250 nan 0.000 0.440 166 A N 1.223 124.163 122.820 0.201 0.000 1.929 166 A HA -0.261 4.059 4.320 -0.000 0.000 0.221 166 A C 2.060 179.748 177.584 0.173 0.000 1.211 166 A CA 2.043 54.174 52.037 0.157 0.000 0.657 166 A CB -1.145 17.935 19.000 0.135 0.000 0.827 166 A HN 0.606 nan 8.150 nan 0.000 0.462 167 F N -1.079 118.923 119.950 0.087 0.000 2.046 167 F HA -0.221 4.306 4.527 -0.000 0.000 0.297 167 F C 2.197 178.054 175.800 0.096 0.000 1.123 167 F CA 2.276 60.305 58.000 0.049 0.000 1.199 167 F CB -0.806 38.205 39.000 0.019 0.000 0.972 167 F HN 0.380 nan 8.300 nan 0.000 0.474 168 Y N 1.679 122.108 120.300 0.215 0.000 2.102 168 Y HA -0.335 4.215 4.550 -0.000 0.000 0.280 168 Y C 2.300 178.180 175.900 -0.033 0.000 1.178 168 Y CA 2.265 60.434 58.100 0.116 0.000 1.146 168 Y CB -1.015 37.579 38.460 0.224 0.000 0.968 168 Y HN 0.182 nan 8.280 nan 0.000 0.504 169 D N -0.128 120.466 120.400 0.324 0.000 2.087 169 D HA -0.232 4.408 4.640 -0.000 0.000 0.192 169 D C 2.365 178.642 176.300 -0.038 0.000 0.993 169 D CA 1.869 55.976 54.000 0.179 0.000 0.828 169 D CB -0.573 40.308 40.800 0.135 0.000 0.968 169 D HN 0.416 nan 8.370 nan 0.000 0.448 170 R N 0.758 121.204 120.500 -0.091 0.000 2.080 170 R HA -0.147 4.193 4.340 -0.000 0.000 0.236 170 R C 1.758 177.895 176.300 -0.271 0.000 1.137 170 R CA 1.325 57.331 56.100 -0.157 0.000 0.943 170 R CB 0.061 30.274 30.300 -0.145 0.000 0.846 170 R HN 0.007 nan 8.270 nan 0.000 0.431 171 E N 0.674 120.576 120.200 -0.497 0.000 2.285 171 E HA 0.002 4.352 4.350 -0.000 0.000 0.194 171 E C 0.817 177.189 176.600 -0.381 0.000 0.997 171 E CA 0.274 56.342 56.400 -0.552 0.000 0.845 171 E CB -0.083 28.990 29.700 -1.044 0.000 0.782 171 E HN 0.172 nan 8.360 nan 0.000 0.491 172 S N 0.401 115.861 115.700 -0.400 0.000 2.634 172 S HA 0.065 4.535 4.470 -0.000 0.000 0.261 172 S C 1.009 175.492 174.600 -0.196 0.000 1.271 172 S CA -0.155 57.848 58.200 -0.329 0.000 0.985 172 S CB 0.726 63.617 63.200 -0.515 0.000 0.968 172 S HN 0.236 nan 8.310 nan 0.000 0.568 173 E N 0.039 120.158 120.200 -0.135 0.000 2.562 173 E HA 0.176 4.526 4.350 -0.000 0.000 0.214 173 E C -0.331 176.236 176.600 -0.054 0.000 0.979 173 E CA -0.278 56.076 56.400 -0.077 0.000 1.002 173 E CB -0.060 29.610 29.700 -0.049 0.000 1.048 173 E HN 0.564 nan 8.360 nan 0.000 0.488 174 N N 0.872 119.535 118.700 -0.062 0.000 2.651 174 N HA 0.235 4.975 4.740 -0.000 0.000 0.277 174 N C -2.936 172.575 175.510 0.003 0.000 1.787 174 N CA -1.316 51.721 53.050 -0.021 0.000 0.818 174 N CB 0.250 38.730 38.487 -0.011 0.000 1.316 174 N HN -0.106 nan 8.380 nan 0.000 0.503 175 P HA 0.058 nan 4.420 nan 0.000 0.266 175 P C 0.177 177.589 177.300 0.185 0.000 1.186 175 P CA 0.199 63.389 63.100 0.149 0.000 0.767 175 P CB 0.913 32.693 31.700 0.133 0.000 0.820 176 L N 0.180 121.576 121.223 0.288 0.000 2.211 176 L HA 0.434 4.774 4.340 -0.000 0.000 0.259 176 L C 0.674 177.528 176.870 -0.025 0.000 1.031 176 L CA -1.128 53.773 54.840 0.101 0.000 0.877 176 L CB 0.715 42.825 42.059 0.084 0.000 1.457 176 L HN 0.313 nan 8.230 nan 0.000 0.466 177 E N 1.591 121.730 120.200 -0.101 0.000 2.328 177 E HA 0.109 4.459 4.350 -0.000 0.000 0.265 177 E C -1.011 175.362 176.600 -0.378 0.000 1.057 177 E CA -0.164 56.085 56.400 -0.252 0.000 0.916 177 E CB 0.641 30.201 29.700 -0.233 0.000 0.993 177 E HN 0.303 nan 8.360 nan 0.000 0.446 178 M N 6.592 125.918 119.600 -0.456 0.000 2.053 178 M HA 0.330 4.810 4.480 -0.000 0.000 0.297 178 M C -2.054 174.035 176.300 -0.352 0.000 0.921 178 M CA -0.282 54.757 55.300 -0.434 0.000 0.918 178 M CB 0.577 32.855 32.600 -0.537 0.000 1.499 178 M HN 0.297 nan 8.290 nan 0.000 0.422 179 F N 2.554 122.451 119.950 -0.088 0.000 2.410 179 F HA 0.318 4.845 4.527 -0.000 0.000 0.348 179 F C 0.935 176.825 175.800 0.150 0.000 1.106 179 F CA -0.397 57.558 58.000 -0.075 0.000 1.163 179 F CB 0.786 39.569 39.000 -0.361 0.000 1.129 179 F HN 0.558 nan 8.300 nan 0.000 0.516 180 E N 2.524 122.914 120.200 0.317 0.000 2.442 180 E HA 0.028 4.378 4.350 -0.000 0.000 0.262 180 E C -0.144 176.689 176.600 0.388 0.000 1.004 180 E CA -0.533 56.021 56.400 0.257 0.000 0.928 180 E CB 0.703 30.482 29.700 0.133 0.000 0.937 180 E HN 0.676 nan 8.360 nan 0.000 0.446 181 T N 0.518 115.210 114.554 0.229 0.000 2.766 181 T HA 0.292 4.642 4.350 -0.000 0.000 0.295 181 T C 0.124 174.792 174.700 -0.054 0.000 1.024 181 T CA -0.911 61.215 62.100 0.042 0.000 1.018 181 T CB 1.004 69.771 68.868 -0.169 0.000 1.002 181 T HN 0.239 nan 8.240 nan 0.000 0.532 182 V N 2.109 121.943 119.914 -0.134 0.000 2.448 182 V HA 0.386 4.506 4.120 -0.000 0.000 0.295 182 V C -2.414 173.474 176.094 -0.344 0.000 1.025 182 V CA -2.377 59.817 62.300 -0.177 0.000 0.859 182 V CB 1.067 32.852 31.823 -0.062 0.000 0.988 182 V HN 0.755 nan 8.190 nan 0.000 0.431 183 P HA -0.030 nan 4.420 nan 0.000 0.265 183 P C 0.976 177.818 177.300 -0.763 0.000 1.187 183 P CA 0.461 62.987 63.100 -0.957 0.000 0.766 183 P CB 0.843 31.613 31.700 -1.551 0.000 0.820 184 V N 4.572 124.147 119.914 -0.565 0.000 2.407 184 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 184 V C 1.210 177.259 176.094 -0.075 0.000 1.055 184 V CA 1.772 63.953 62.300 -0.198 0.000 1.049 184 V CB -1.106 30.708 31.823 -0.016 0.000 0.662 184 V HN 0.752 nan 8.190 nan 0.000 0.455 185 W N 0.536 121.865 121.300 0.049 0.000 2.961 185 W HA 0.109 4.769 4.660 -0.000 0.000 0.240 185 W C 1.715 178.266 176.519 0.053 0.000 1.305 185 W CA 0.223 57.598 57.345 0.050 0.000 1.465 185 W CB -0.620 28.866 29.460 0.043 0.000 1.135 185 W HN 0.079 nan 8.180 nan 0.000 0.688 186 R N 0.495 120.938 120.500 -0.095 0.000 2.543 186 R HA 0.237 4.577 4.340 -0.000 0.000 0.323 186 R C 0.091 176.405 176.300 0.022 0.000 1.002 186 R CA -0.434 55.671 56.100 0.009 0.000 1.106 186 R CB 0.181 30.427 30.300 -0.090 0.000 1.280 186 R HN 0.043 nan 8.270 nan 0.000 0.549 187 R N 1.873 122.389 120.500 0.028 0.000 2.210 187 R HA 0.128 4.468 4.340 -0.000 0.000 0.338 187 R C -0.225 176.156 176.300 0.135 0.000 1.062 187 R CA 0.038 56.190 56.100 0.087 0.000 0.902 187 R CB 0.792 31.129 30.300 0.062 0.000 1.050 187 R HN 0.080 nan 8.270 nan 0.000 0.461 188 Q N 3.195 123.103 119.800 0.180 0.000 2.260 188 Q HA 0.272 4.612 4.340 -0.000 0.000 0.238 188 Q C -2.215 173.878 176.000 0.156 0.000 0.948 188 Q CA -2.089 53.808 55.803 0.156 0.000 0.895 188 Q CB 0.605 29.419 28.738 0.128 0.000 1.218 188 Q HN 0.275 nan 8.270 nan 0.000 0.470 189 P HA -0.068 nan 4.420 nan 0.000 0.268 189 P C -0.814 176.466 177.300 -0.034 0.000 1.205 189 P CA -0.008 63.175 63.100 0.138 0.000 0.771 189 P CB 0.493 32.335 31.700 0.237 0.000 0.858 190 V N 4.934 124.770 119.914 -0.132 0.000 2.715 190 V HA 0.134 4.254 4.120 -0.000 0.000 0.299 190 V C 0.375 176.325 176.094 -0.239 0.000 1.054 190 V CA 0.012 62.001 62.300 -0.518 0.000 1.077 190 V CB 0.057 31.536 31.823 -0.573 0.000 0.972 190 V HN 0.412 nan 8.190 nan 0.000 0.484 191 R N 4.837 125.198 120.500 -0.232 0.000 2.288 191 R HA 0.589 4.929 4.340 -0.000 0.000 0.326 191 R C -1.272 175.047 176.300 0.032 0.000 0.959 191 R CA -0.491 55.613 56.100 0.007 0.000 0.834 191 R CB 1.718 32.083 30.300 0.109 0.000 1.157 191 R HN 0.566 nan 8.270 nan 0.000 0.470 192 V N 4.523 124.416 119.914 -0.036 0.000 2.581 192 V HA 0.433 4.553 4.120 -0.000 0.000 0.303 192 V C -0.649 175.222 176.094 -0.372 0.000 1.041 192 V CA -0.983 61.209 62.300 -0.181 0.000 0.907 192 V CB 1.857 33.571 31.823 -0.183 0.000 0.994 192 V HN 0.500 nan 8.190 nan 0.000 0.442 193 L N 4.645 125.492 121.223 -0.627 0.000 2.372 193 L HA 0.777 5.117 4.340 -0.000 0.000 0.274 193 L C -0.064 176.628 176.870 -0.297 0.000 0.988 193 L CA 0.065 54.452 54.840 -0.755 0.000 0.833 193 L CB 1.912 43.034 42.059 -1.561 0.000 1.236 193 L HN 0.719 nan 8.230 nan 0.000 0.410 194 S N 5.907 121.510 115.700 -0.161 0.000 2.498 194 S HA 0.744 5.214 4.470 -0.000 0.000 0.317 194 S C -0.588 174.002 174.600 -0.016 0.000 1.090 194 S CA -0.792 57.402 58.200 -0.010 0.000 1.089 194 S CB 0.828 64.014 63.200 -0.023 0.000 0.997 194 S HN 0.651 nan 8.310 nan 0.000 0.470 195 L N 4.196 125.367 121.223 -0.087 0.000 2.325 195 L HA 0.569 4.909 4.340 -0.000 0.000 0.279 195 L C 0.606 177.289 176.870 -0.312 0.000 1.054 195 L CA -0.881 53.737 54.840 -0.370 0.000 0.804 195 L CB -0.048 41.484 42.059 -0.879 0.000 1.200 195 L HN 0.993 nan 8.230 nan 0.000 0.436 196 F N -1.488 118.664 119.950 0.336 0.000 2.555 196 F HA -0.308 4.219 4.527 -0.000 0.000 0.693 196 F C 1.046 177.010 175.800 0.274 0.000 0.487 196 F CA 0.990 59.191 58.000 0.335 0.000 0.748 196 F CB -0.831 38.363 39.000 0.324 0.000 1.624 196 F HN 0.510 nan 8.300 nan 0.000 0.266 197 E N 1.277 121.607 120.200 0.218 0.000 2.264 197 E HA 0.380 4.730 4.350 -0.000 0.000 0.260 197 E C -1.119 175.274 176.600 -0.344 0.000 0.961 197 E CA -0.422 55.949 56.400 -0.048 0.000 0.834 197 E CB 1.451 30.985 29.700 -0.277 0.000 1.230 197 E HN 0.126 nan 8.360 nan 0.000 0.412 198 D N 0.786 120.955 120.400 -0.385 0.000 2.505 198 D HA 0.299 4.939 4.640 -0.000 0.000 0.249 198 D C -0.072 176.070 176.300 -0.264 0.000 1.082 198 D CA -0.563 53.137 54.000 -0.500 0.000 0.839 198 D CB 0.749 41.281 40.800 -0.447 0.000 1.317 198 D HN 0.462 nan 8.370 nan 0.000 0.497 199 I N 0.944 121.332 120.570 -0.303 0.000 3.569 199 I HA 0.274 4.444 4.170 -0.000 0.000 0.334 199 I C 1.280 177.257 176.117 -0.232 0.000 1.570 199 I CA -0.647 60.469 61.300 -0.307 0.000 1.082 199 I CB 0.366 38.005 38.000 -0.601 0.000 1.323 199 I HN 0.179 nan 8.210 nan 0.000 0.489 200 K N 1.458 121.764 120.400 -0.158 0.000 2.057 200 K HA -0.017 4.303 4.320 -0.000 0.000 0.206 200 K C 2.097 178.660 176.600 -0.063 0.000 1.050 200 K CA 1.557 57.783 56.287 -0.101 0.000 0.935 200 K CB -0.506 31.957 32.500 -0.063 0.000 0.715 200 K HN 0.322 nan 8.250 nan 0.000 0.439 201 K N 2.091 122.462 120.400 -0.048 0.000 1.991 201 K HA -0.184 4.136 4.320 -0.000 0.000 0.212 201 K C 2.026 178.617 176.600 -0.015 0.000 1.049 201 K CA 2.023 58.299 56.287 -0.018 0.000 0.932 201 K CB -1.104 31.395 32.500 -0.001 0.000 0.717 201 K HN 0.482 nan 8.250 nan 0.000 0.441 202 E N 1.016 121.197 120.200 -0.032 0.000 2.070 202 E HA -0.165 4.185 4.350 -0.000 0.000 0.197 202 E C 2.170 178.763 176.600 -0.011 0.000 1.004 202 E CA 1.525 57.916 56.400 -0.015 0.000 0.805 202 E CB -0.600 29.079 29.700 -0.035 0.000 0.744 202 E HN 0.615 nan 8.360 nan 0.000 0.451 203 L N 0.756 121.939 121.223 -0.066 0.000 2.156 203 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 203 L C 2.464 179.403 176.870 0.115 0.000 1.095 203 L CA 1.187 56.062 54.840 0.057 0.000 0.770 203 L CB -0.553 41.473 42.059 -0.056 0.000 0.914 203 L HN 0.100 nan 8.230 nan 0.000 0.439 204 T N -1.239 113.343 114.554 0.046 0.000 2.821 204 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 204 T C 2.140 176.861 174.700 0.035 0.000 1.046 204 T CA 1.648 63.777 62.100 0.048 0.000 1.139 204 T CB -0.047 68.830 68.868 0.015 0.000 0.871 204 T HN 0.326 nan 8.240 nan 0.000 0.454 205 S N 0.586 116.301 115.700 0.025 0.000 2.423 205 S HA 0.090 4.560 4.470 -0.000 0.000 0.231 205 S C 1.679 176.285 174.600 0.011 0.000 1.014 205 S CA 0.597 58.810 58.200 0.021 0.000 0.965 205 S CB -0.318 62.898 63.200 0.026 0.000 0.785 205 S HN 0.478 nan 8.310 nan 0.000 0.495 206 L N 0.529 121.743 121.223 -0.015 0.000 2.607 206 L HA 0.342 4.682 4.340 -0.000 0.000 0.228 206 L C 1.478 178.213 176.870 -0.225 0.000 1.123 206 L CA 0.329 55.089 54.840 -0.133 0.000 0.890 206 L CB -0.262 41.684 42.059 -0.189 0.000 1.103 206 L HN 0.525 nan 8.230 nan 0.000 0.468 207 G N -0.305 108.442 108.800 -0.089 0.000 2.171 207 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.238 207 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.238 207 G C 0.349 175.218 174.900 -0.051 0.000 1.039 207 G CA 0.068 45.130 45.100 -0.063 0.000 0.759 207 G HN 0.367 nan 8.290 nan 0.000 0.501 208 F N -0.637 119.409 119.950 0.160 0.000 2.559 208 F HA 0.404 4.931 4.527 -0.000 0.000 0.286 208 F C 1.463 177.407 175.800 0.240 0.000 1.108 208 F CA 0.016 58.088 58.000 0.120 0.000 1.436 208 F CB 0.391 39.422 39.000 0.050 0.000 1.130 208 F HN 0.073 nan 8.300 nan 0.000 0.584 209 L N 2.065 123.535 121.223 0.411 0.000 2.295 209 L HA 0.249 4.589 4.340 -0.000 0.000 0.281 209 L C -0.244 176.723 176.870 0.162 0.000 1.018 209 L CA -0.705 54.299 54.840 0.274 0.000 0.841 209 L CB 0.918 43.046 42.059 0.115 0.000 1.218 209 L HN 0.124 nan 8.230 nan 0.000 0.424 210 E N 2.292 122.442 120.200 -0.083 0.000 2.292 210 E HA 0.115 4.465 4.350 -0.000 0.000 0.265 210 E C 0.202 176.636 176.600 -0.277 0.000 1.093 210 E CA -0.261 55.794 56.400 -0.575 0.000 0.922 210 E CB 1.083 29.885 29.700 -1.497 0.000 1.001 210 E HN 0.480 nan 8.360 nan 0.000 0.444 211 S N 3.168 118.763 115.700 -0.175 0.000 2.687 211 S HA 0.294 4.764 4.470 -0.000 0.000 0.248 211 S C 1.364 175.891 174.600 -0.122 0.000 1.390 211 S CA 0.702 58.837 58.200 -0.110 0.000 0.963 211 S CB -0.025 63.129 63.200 -0.076 0.000 0.957 211 S HN 1.056 nan 8.310 nan 0.000 0.584 212 G N 0.925 109.676 108.800 -0.081 0.000 4.430 212 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.332 212 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.332 212 G C 0.457 175.313 174.900 -0.073 0.000 1.338 212 G CA 0.506 45.563 45.100 -0.073 0.000 1.024 212 G HN 1.393 nan 8.290 nan 0.000 0.750 213 S N 1.944 117.586 115.700 -0.097 0.000 2.702 213 S HA 0.267 4.737 4.470 -0.000 0.000 0.314 213 S C 0.628 175.190 174.600 -0.064 0.000 1.244 213 S CA 1.006 59.156 58.200 -0.083 0.000 1.058 213 S CB 0.939 64.071 63.200 -0.113 0.000 0.783 213 S HN 0.574 nan 8.310 nan 0.000 0.503 214 D N 2.521 122.896 120.400 -0.042 0.000 2.463 214 D HA 0.240 4.880 4.640 -0.000 0.000 0.224 214 D C -1.433 174.856 176.300 -0.019 0.000 1.174 214 D CA -1.461 52.522 54.000 -0.029 0.000 0.829 214 D CB -0.186 40.601 40.800 -0.022 0.000 0.993 214 D HN 0.301 nan 8.370 nan 0.000 0.497 215 P HA 0.103 nan 4.420 nan 0.000 0.236 215 P C 0.484 177.785 177.300 0.003 0.000 1.172 215 P CA 0.567 63.664 63.100 -0.004 0.000 0.759 215 P CB 0.013 31.713 31.700 -0.000 0.000 0.843 216 G N 1.302 110.100 108.800 -0.004 0.000 2.325 216 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.274 216 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.274 216 G C 0.693 175.604 174.900 0.019 0.000 0.921 216 G CA -0.202 44.898 45.100 0.000 0.000 1.340 216 G HN 0.166 nan 8.290 nan 0.000 0.447 217 Q N -1.191 118.624 119.800 0.026 0.000 2.541 217 Q HA 0.098 4.438 4.340 -0.000 0.000 0.215 217 Q C 1.357 177.384 176.000 0.044 0.000 0.977 217 Q CA 0.745 56.577 55.803 0.047 0.000 0.934 217 Q CB 0.180 28.950 28.738 0.053 0.000 0.988 217 Q HN 0.833 nan 8.270 nan 0.000 0.521 218 L N 0.149 121.380 121.223 0.013 0.000 2.385 218 L HA 0.442 4.782 4.340 -0.000 0.000 0.273 218 L C -0.918 175.934 176.870 -0.029 0.000 0.990 218 L CA -0.673 54.151 54.840 -0.026 0.000 0.821 218 L CB 1.745 43.766 42.059 -0.063 0.000 1.279 218 L HN -0.209 nan 8.230 nan 0.000 0.412 219 K N 3.958 124.320 120.400 -0.063 0.000 2.292 219 K HA 0.405 4.725 4.320 -0.000 0.000 0.257 219 K C -1.580 174.959 176.600 -0.101 0.000 0.940 219 K CA -0.624 55.599 56.287 -0.108 0.000 0.811 219 K CB 1.240 33.644 32.500 -0.159 0.000 1.120 219 K HN 0.838 nan 8.250 nan 0.000 0.428 220 H N 2.416 121.371 119.070 -0.192 0.000 2.533 220 H HA 0.609 5.165 4.556 -0.000 0.000 0.343 220 H C -1.427 173.792 175.328 -0.181 0.000 1.160 220 H CA -1.131 54.828 56.048 -0.148 0.000 1.218 220 H CB 1.671 31.386 29.762 -0.078 0.000 1.566 220 H HN 0.313 nan 8.280 nan 0.000 0.522 221 V N 5.729 125.654 119.914 0.019 0.000 2.655 221 V HA 0.042 4.162 4.120 -0.000 0.000 0.301 221 V C 0.396 176.486 176.094 -0.006 0.000 1.082 221 V CA -0.591 61.639 62.300 -0.117 0.000 0.899 221 V CB 1.246 33.023 31.823 -0.076 0.000 1.014 221 V HN 0.699 nan 8.190 nan 0.000 0.429 222 V N 1.619 121.504 119.914 -0.048 0.000 2.326 222 V HA 0.080 4.200 4.120 -0.000 0.000 0.238 222 V C 0.762 177.078 176.094 0.371 0.000 1.038 222 V CA 1.108 63.517 62.300 0.181 0.000 1.032 222 V CB 0.005 31.877 31.823 0.082 0.000 0.675 222 V HN 0.927 nan 8.190 nan 0.000 0.467 223 D N 0.481 121.039 120.400 0.263 0.000 2.280 223 D HA 0.316 4.956 4.640 -0.000 0.000 0.243 223 D C 0.348 176.844 176.300 0.327 0.000 1.129 223 D CA 0.129 54.326 54.000 0.329 0.000 0.848 223 D CB 1.627 42.550 40.800 0.205 0.000 1.107 223 D HN 0.146 nan 8.370 nan 0.000 0.471 224 V N 1.280 121.441 119.914 0.412 0.000 3.253 224 V HA 0.167 4.287 4.120 -0.000 0.000 0.320 224 V C 1.766 178.024 176.094 0.272 0.000 1.442 224 V CA 0.246 62.730 62.300 0.306 0.000 1.097 224 V CB -0.181 31.784 31.823 0.238 0.000 1.008 224 V HN 0.570 nan 8.190 nan 0.000 0.463 225 T N 0.857 115.635 114.554 0.374 0.000 2.721 225 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 225 T C 1.254 176.071 174.700 0.194 0.000 1.038 225 T CA 2.567 64.881 62.100 0.358 0.000 1.145 225 T CB -0.349 68.715 68.868 0.328 0.000 0.858 225 T HN 0.640 nan 8.240 nan 0.000 0.459 226 D N 0.534 121.025 120.400 0.150 0.000 2.402 226 D HA 0.187 4.827 4.640 -0.000 0.000 0.216 226 D C 0.276 176.612 176.300 0.060 0.000 1.128 226 D CA 0.068 54.120 54.000 0.088 0.000 0.833 226 D CB 0.399 41.240 40.800 0.067 0.000 0.971 226 D HN 0.342 nan 8.370 nan 0.000 0.503 227 T N 0.545 115.153 114.554 0.089 0.000 2.900 227 T HA 0.300 4.650 4.350 -0.000 0.000 0.307 227 T C 0.372 175.048 174.700 -0.040 0.000 1.065 227 T CA -0.010 62.107 62.100 0.028 0.000 1.105 227 T CB 1.825 70.759 68.868 0.110 0.000 0.979 227 T HN -0.248 nan 8.240 nan 0.000 0.544 228 V N 2.835 122.626 119.914 -0.206 0.000 2.925 228 V HA 0.401 4.521 4.120 -0.000 0.000 0.311 228 V C 1.448 177.163 176.094 -0.631 0.000 1.104 228 V CA -1.065 61.026 62.300 -0.349 0.000 0.954 228 V CB 1.913 33.562 31.823 -0.289 0.000 1.022 228 V HN 0.878 nan 8.190 nan 0.000 0.427 229 R N 2.306 122.080 120.500 -1.211 0.000 2.189 229 R HA -0.281 4.059 4.340 -0.000 0.000 0.252 229 R C 1.936 177.881 176.300 -0.591 0.000 1.134 229 R CA 2.769 58.126 56.100 -1.240 0.000 0.954 229 R CB -0.193 29.423 30.300 -1.140 0.000 0.890 229 R HN 0.724 nan 8.270 nan 0.000 0.443 230 K N -0.318 119.798 120.400 -0.474 0.000 2.211 230 K HA -0.162 4.158 4.320 -0.000 0.000 0.204 230 K C 1.289 177.641 176.600 -0.414 0.000 1.047 230 K CA 1.889 57.963 56.287 -0.355 0.000 0.935 230 K CB 0.031 32.367 32.500 -0.272 0.000 0.728 230 K HN 0.340 nan 8.250 nan 0.000 0.452 231 D N -0.005 120.059 120.400 -0.559 0.000 2.084 231 D HA -0.138 4.502 4.640 -0.000 0.000 0.199 231 D C 2.015 177.637 176.300 -1.129 0.000 0.981 231 D CA 1.276 54.734 54.000 -0.904 0.000 0.841 231 D CB -0.466 39.677 40.800 -1.094 0.000 0.997 231 D HN -0.011 nan 8.370 nan 0.000 0.454 232 V N 1.956 121.358 119.914 -0.854 0.000 2.250 232 V HA -0.285 3.835 4.120 -0.000 0.000 0.250 232 V C 2.373 178.374 176.094 -0.156 0.000 1.060 232 V CA 1.932 64.085 62.300 -0.244 0.000 1.030 232 V CB -0.678 31.188 31.823 0.071 0.000 0.643 232 V HN 0.228 nan 8.190 nan 0.000 0.445 233 E N -0.244 119.820 120.200 -0.227 0.000 2.070 233 E HA -0.310 4.040 4.350 -0.000 0.000 0.197 233 E C 2.311 178.796 176.600 -0.192 0.000 1.004 233 E CA 1.676 57.958 56.400 -0.196 0.000 0.805 233 E CB -0.226 29.356 29.700 -0.198 0.000 0.744 233 E HN 0.709 nan 8.360 nan 0.000 0.451 234 E N 0.168 120.232 120.200 -0.228 0.000 2.058 234 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 234 E C 0.925 177.521 176.600 -0.006 0.000 0.997 234 E CA 0.665 56.977 56.400 -0.146 0.000 0.801 234 E CB -0.025 29.561 29.700 -0.189 0.000 0.746 234 E HN 0.317 nan 8.360 nan 0.000 0.450 235 W N 1.622 122.856 121.300 -0.110 0.000 3.204 235 W HA 0.112 4.772 4.660 -0.000 0.000 0.290 235 W C 0.853 177.203 176.519 -0.281 0.000 1.331 235 W CA 1.200 58.487 57.345 -0.097 0.000 1.421 235 W CB -1.780 27.716 29.460 0.060 0.000 1.031 235 W HN 0.196 nan 8.180 nan 0.000 0.703 236 G N 1.155 109.902 108.800 -0.087 0.000 2.825 236 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.684 236 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.684 236 G C -2.304 172.289 174.900 -0.511 0.000 1.528 236 G CA -1.143 43.833 45.100 -0.206 0.000 0.963 236 G HN -0.030 nan 8.290 nan 0.000 0.577 237 P HA 0.604 nan 4.420 nan 0.000 0.277 237 P C -0.511 176.595 177.300 -0.323 0.000 1.240 237 P CA -0.234 62.645 63.100 -0.368 0.000 0.798 237 P CB 0.654 32.263 31.700 -0.153 0.000 0.979 238 F N -0.092 119.924 119.950 0.110 0.000 2.538 238 F HA 0.314 4.841 4.527 -0.000 0.000 0.325 238 F C 1.372 177.299 175.800 0.212 0.000 1.066 238 F CA -0.606 57.483 58.000 0.148 0.000 0.946 238 F CB 2.217 41.352 39.000 0.225 0.000 1.199 238 F HN 0.210 nan 8.300 nan 0.000 0.473 239 D N 0.998 121.568 120.400 0.284 0.000 2.470 239 D HA 0.110 4.750 4.640 -0.000 0.000 0.238 239 D C -0.425 175.876 176.300 0.002 0.000 1.054 239 D CA 0.651 54.715 54.000 0.107 0.000 0.896 239 D CB 1.344 41.976 40.800 -0.280 0.000 1.118 239 D HN 0.154 nan 8.370 nan 0.000 0.497 240 L N 1.595 122.796 121.223 -0.036 0.000 2.404 240 L HA 0.358 4.698 4.340 -0.000 0.000 0.272 240 L C -1.485 175.348 176.870 -0.061 0.000 0.980 240 L CA -0.637 54.170 54.840 -0.055 0.000 0.836 240 L CB 2.192 44.239 42.059 -0.021 0.000 1.238 240 L HN -0.358 nan 8.230 nan 0.000 0.408 241 V N 5.795 125.699 119.914 -0.016 0.000 2.347 241 V HA 0.389 4.509 4.120 -0.000 0.000 0.280 241 V C -0.883 175.425 176.094 0.358 0.000 1.021 241 V CA -0.463 61.889 62.300 0.087 0.000 0.847 241 V CB 1.103 32.985 31.823 0.098 0.000 0.990 241 V HN 0.717 nan 8.190 nan 0.000 0.444 242 Y N 3.661 124.076 120.300 0.192 0.000 2.468 242 Y HA 0.859 5.409 4.550 -0.000 0.000 0.342 242 Y C 0.248 176.331 175.900 0.305 0.000 1.021 242 Y CA -0.325 57.942 58.100 0.278 0.000 1.079 242 Y CB 2.242 40.784 38.460 0.137 0.000 1.226 242 Y HN 0.711 nan 8.280 nan 0.000 0.460 243 G N 1.933 110.388 108.800 -0.575 0.000 2.703 243 G HA2 0.740 4.700 3.960 -0.000 0.000 0.294 243 G HA3 0.740 4.700 3.960 -0.000 0.000 0.294 243 G C -2.268 172.418 174.900 -0.356 0.000 1.451 243 G CA -0.347 44.604 45.100 -0.247 0.000 0.869 243 G HN 1.103 nan 8.290 nan 0.000 0.516 244 A N 0.231 123.065 122.820 0.024 0.000 2.604 244 A HA 0.909 5.229 4.320 -0.000 0.000 0.295 244 A C 0.199 177.746 177.584 -0.062 0.000 1.067 244 A CA 0.103 52.005 52.037 -0.225 0.000 0.683 244 A CB 0.949 19.622 19.000 -0.543 0.000 1.281 244 A HN 1.994 nan 8.150 nan 0.000 0.407 245 T N -0.168 114.256 114.554 -0.217 0.000 2.726 245 T HA 0.581 4.931 4.350 -0.000 0.000 0.294 245 T C -2.457 172.018 174.700 -0.374 0.000 1.013 245 T CA -1.099 60.832 62.100 -0.281 0.000 0.996 245 T CB 0.010 68.812 68.868 -0.109 0.000 1.016 245 T HN 0.342 nan 8.240 nan 0.000 0.529 246 P HA 0.343 nan 4.420 nan 0.000 0.274 246 P C -2.478 174.920 177.300 0.163 0.000 1.237 246 P CA -1.350 61.648 63.100 -0.170 0.000 0.793 246 P CB -0.430 31.150 31.700 -0.201 0.000 0.977 247 P HA 0.130 nan 4.420 nan 0.000 0.274 247 P C -0.360 177.044 177.300 0.173 0.000 1.237 247 P CA -0.208 63.137 63.100 0.408 0.000 0.793 247 P CB 0.348 32.290 31.700 0.404 0.000 0.977 248 L N 1.875 123.156 121.223 0.098 0.000 2.698 248 L HA 0.215 4.555 4.340 -0.000 0.000 0.272 248 L C 1.262 178.163 176.870 0.051 0.000 1.154 248 L CA 0.985 55.856 54.840 0.052 0.000 0.964 248 L CB -1.212 40.855 42.059 0.013 0.000 1.272 248 L HN 0.800 nan 8.230 nan 0.000 0.483 249 G N 0.668 109.499 108.800 0.051 0.000 2.542 249 G HA2 0.021 3.981 3.960 -0.000 0.000 0.223 249 G HA3 0.021 3.981 3.960 -0.000 0.000 0.223 249 G C 0.370 175.299 174.900 0.048 0.000 1.041 249 G CA -0.172 44.956 45.100 0.046 0.000 0.928 249 G HN 1.139 nan 8.290 nan 0.000 0.558 250 H N -0.585 118.513 119.070 0.047 0.000 2.092 250 H HA -0.159 4.397 4.556 -0.000 0.000 0.328 250 H C 1.968 177.325 175.328 0.048 0.000 0.925 250 H CA 2.107 58.182 56.048 0.046 0.000 1.084 250 H CB -2.132 27.654 29.762 0.041 0.000 1.580 250 H HN 0.732 nan 8.280 nan 0.000 0.346 251 T N -1.713 112.875 114.554 0.057 0.000 2.946 251 T HA 0.122 4.472 4.350 -0.000 0.000 0.271 251 T C 1.313 176.049 174.700 0.061 0.000 1.104 251 T CA 1.437 63.574 62.100 0.062 0.000 1.114 251 T CB -0.137 68.777 68.868 0.077 0.000 0.867 251 T HN 1.014 nan 8.240 nan 0.000 0.513 252 C N 2.115 121.454 119.300 0.065 0.000 3.090 252 C HA 0.543 5.003 4.460 -0.000 0.000 0.305 252 C C -1.622 173.407 174.990 0.065 0.000 1.292 252 C CA -1.264 57.797 59.018 0.071 0.000 1.482 252 C CB 1.551 29.361 27.740 0.117 0.000 1.897 252 C HN 0.571 nan 8.230 nan 0.000 0.469 253 D N 1.493 121.911 120.400 0.029 0.000 2.274 253 D HA 0.691 5.331 4.640 -0.000 0.000 0.239 253 D C -0.207 176.062 176.300 -0.052 0.000 1.104 253 D CA 0.089 54.089 54.000 -0.001 0.000 0.840 253 D CB 0.710 41.493 40.800 -0.028 0.000 1.100 253 D HN 1.028 nan 8.370 nan 0.000 0.477 254 R N 1.953 122.443 120.500 -0.018 0.000 6.121 254 R HA 0.346 4.686 4.340 -0.000 0.000 0.268 254 R C -3.260 173.094 176.300 0.090 0.000 0.887 254 R CA -1.314 54.718 56.100 -0.114 0.000 1.615 254 R CB -1.492 28.593 30.300 -0.358 0.000 1.213 254 R HN 0.436 nan 8.270 nan 0.000 0.738 255 P HA 0.093 nan 4.420 nan 0.000 0.250 255 P C -1.836 175.629 177.300 0.275 0.000 1.161 255 P CA -0.475 62.710 63.100 0.141 0.000 0.863 255 P CB 0.800 32.563 31.700 0.105 0.000 0.827 256 P HA -0.362 nan 4.420 nan 0.000 0.230 256 P C 1.350 178.877 177.300 0.379 0.000 1.124 256 P CA 2.064 65.396 63.100 0.387 0.000 0.985 256 P CB -0.365 31.454 31.700 0.198 0.000 0.774 257 S N -2.857 112.977 115.700 0.223 0.000 2.428 257 S HA -0.256 4.214 4.470 -0.000 0.000 0.240 257 S C 1.472 176.193 174.600 0.202 0.000 1.036 257 S CA 1.434 59.692 58.200 0.096 0.000 1.009 257 S CB -1.214 62.069 63.200 0.139 0.000 0.803 257 S HN 0.332 nan 8.310 nan 0.000 0.486 258 W N 1.764 123.131 121.300 0.112 0.000 2.322 258 W HA -0.246 4.414 4.660 -0.000 0.000 0.326 258 W C 1.821 178.303 176.519 -0.062 0.000 1.224 258 W CA 1.470 58.821 57.345 0.010 0.000 1.257 258 W CB -1.132 28.195 29.460 -0.222 0.000 1.174 258 W HN 0.289 nan 8.180 nan 0.000 0.460 259 Y N 0.345 120.633 120.300 -0.020 0.000 2.062 259 Y HA -0.409 4.141 4.550 -0.000 0.000 0.273 259 Y C 2.664 178.393 175.900 -0.285 0.000 1.206 259 Y CA 2.015 59.885 58.100 -0.383 0.000 1.125 259 Y CB -1.657 36.659 38.460 -0.241 0.000 0.951 259 Y HN 0.084 nan 8.280 nan 0.000 0.501 260 L N -0.254 120.871 121.223 -0.163 0.000 1.955 260 L HA -0.273 4.067 4.340 -0.000 0.000 0.213 260 L C 2.220 178.823 176.870 -0.444 0.000 1.072 260 L CA 2.160 56.627 54.840 -0.622 0.000 0.755 260 L CB -1.373 40.352 42.059 -0.556 0.000 0.888 260 L HN 0.303 nan 8.230 nan 0.000 0.432 261 F N 0.265 120.006 119.950 -0.348 0.000 2.087 261 F HA -0.326 4.201 4.527 -0.000 0.000 0.299 261 F C 2.887 178.491 175.800 -0.327 0.000 1.100 261 F CA 1.534 59.333 58.000 -0.335 0.000 1.226 261 F CB -0.327 38.468 39.000 -0.343 0.000 0.983 261 F HN 0.272 nan 8.300 nan 0.000 0.479 262 Q N -0.113 119.513 119.800 -0.290 0.000 1.993 262 Q HA -0.235 4.105 4.340 -0.000 0.000 0.202 262 Q C 2.150 178.026 176.000 -0.207 0.000 0.984 262 Q CA 1.808 57.392 55.803 -0.366 0.000 0.837 262 Q CB -1.300 27.035 28.738 -0.670 0.000 0.902 262 Q HN 0.468 nan 8.270 nan 0.000 0.423 263 F N 1.301 121.133 119.950 -0.196 0.000 2.087 263 F HA -0.331 4.196 4.527 -0.000 0.000 0.299 263 F C 2.411 178.041 175.800 -0.283 0.000 1.100 263 F CA 2.392 60.223 58.000 -0.282 0.000 1.226 263 F CB -0.583 38.125 39.000 -0.487 0.000 0.983 263 F HN 0.374 nan 8.300 nan 0.000 0.479 264 H N 0.079 118.952 119.070 -0.327 0.000 2.289 264 H HA -0.232 4.324 4.556 -0.000 0.000 0.296 264 H C 2.690 177.756 175.328 -0.437 0.000 1.091 264 H CA 1.767 57.610 56.048 -0.341 0.000 1.274 264 H CB -0.283 29.412 29.762 -0.112 0.000 1.364 264 H HN 0.287 nan 8.280 nan 0.000 0.490 265 R N 0.027 120.225 120.500 -0.504 0.000 2.113 265 R HA -0.174 4.166 4.340 -0.000 0.000 0.231 265 R C 2.574 178.298 176.300 -0.961 0.000 1.129 265 R CA 1.896 57.582 56.100 -0.689 0.000 0.915 265 R CB -0.285 29.744 30.300 -0.452 0.000 0.837 265 R HN 0.260 nan 8.270 nan 0.000 0.430 266 L N 1.009 121.792 121.223 -0.733 0.000 2.187 266 L HA -0.194 4.146 4.340 -0.000 0.000 0.213 266 L C 2.244 178.806 176.870 -0.513 0.000 1.100 266 L CA 0.979 55.457 54.840 -0.604 0.000 0.765 266 L CB -0.659 41.252 42.059 -0.247 0.000 0.904 266 L HN 0.311 nan 8.230 nan 0.000 0.437 267 L N -0.678 120.171 121.223 -0.623 0.000 1.976 267 L HA -0.218 4.121 4.340 -0.000 0.000 0.209 267 L C 2.520 179.206 176.870 -0.306 0.000 1.071 267 L CA 1.760 56.319 54.840 -0.469 0.000 0.746 267 L CB -0.867 40.785 42.059 -0.678 0.000 0.890 267 L HN 0.288 nan 8.230 nan 0.000 0.432 268 Q N -0.724 118.815 119.800 -0.436 0.000 2.217 268 Q HA -0.271 4.069 4.340 -0.000 0.000 0.209 268 Q C 2.205 178.108 176.000 -0.163 0.000 0.988 268 Q CA 2.242 57.854 55.803 -0.318 0.000 0.878 268 Q CB -0.930 27.581 28.738 -0.380 0.000 0.909 268 Q HN 0.706 nan 8.270 nan 0.000 0.424 269 Y N 0.205 120.401 120.300 -0.173 0.000 2.163 269 Y HA -0.154 4.396 4.550 -0.000 0.000 0.288 269 Y C 2.398 178.231 175.900 -0.111 0.000 1.136 269 Y CA 0.463 58.478 58.100 -0.142 0.000 1.147 269 Y CB -0.167 38.215 38.460 -0.130 0.000 0.987 269 Y HN 0.163 nan 8.280 nan 0.000 0.509 270 A N 0.668 123.558 122.820 0.117 0.000 2.168 270 A HA -0.048 4.272 4.320 -0.000 0.000 0.215 270 A C 0.922 178.410 177.584 -0.160 0.000 1.152 270 A CA 0.095 52.228 52.037 0.161 0.000 0.716 270 A CB -0.537 18.751 19.000 0.479 0.000 0.794 270 A HN 0.275 nan 8.150 nan 0.000 0.465 271 R N 0.379 120.634 120.500 -0.409 0.000 2.679 271 R HA 0.257 4.597 4.340 -0.000 0.000 0.268 271 R C -2.456 173.547 176.300 -0.495 0.000 1.044 271 R CA -1.406 54.191 56.100 -0.838 0.000 1.105 271 R CB -0.468 29.503 30.300 -0.548 0.000 0.989 271 R HN 0.118 nan 8.270 nan 0.000 0.447 272 P HA -0.019 nan 4.420 nan 0.000 0.270 272 P C -0.767 176.429 177.300 -0.173 0.000 1.223 272 P CA 0.001 62.953 63.100 -0.246 0.000 0.785 272 P CB 0.515 32.102 31.700 -0.189 0.000 0.923 273 K N 3.154 123.483 120.400 -0.119 0.000 2.382 273 K HA 0.135 4.455 4.320 -0.000 0.000 0.286 273 K C -2.148 174.409 176.600 -0.072 0.000 1.062 273 K CA -1.298 54.934 56.287 -0.091 0.000 1.000 273 K CB -0.912 31.544 32.500 -0.073 0.000 0.954 273 K HN 0.343 nan 8.250 nan 0.000 0.470 274 P HA -0.158 nan 4.420 nan 0.000 0.261 274 P C 0.311 177.591 177.300 -0.034 0.000 1.140 274 P CA 1.272 64.343 63.100 -0.049 0.000 0.757 274 P CB 0.226 31.898 31.700 -0.046 0.000 0.735 275 G N 1.362 110.150 108.800 -0.021 0.000 2.638 275 G HA2 0.022 3.982 3.960 -0.000 0.000 0.269 275 G HA3 0.022 3.982 3.960 -0.000 0.000 0.269 275 G C -0.162 174.731 174.900 -0.011 0.000 1.141 275 G CA -0.075 45.018 45.100 -0.011 0.000 1.081 275 G HN 0.779 nan 8.290 nan 0.000 0.527 276 S N 0.682 116.380 115.700 -0.004 0.000 2.603 276 S HA 0.773 5.243 4.470 -0.000 0.000 0.274 276 S C -0.185 174.427 174.600 0.021 0.000 1.168 276 S CA -0.006 58.192 58.200 -0.003 0.000 0.963 276 S CB 1.639 64.823 63.200 -0.027 0.000 1.078 276 S HN 0.413 nan 8.310 nan 0.000 0.477 277 P HA 0.175 nan 4.420 nan 0.000 0.199 277 P C 0.907 178.220 177.300 0.021 0.000 1.146 277 P CA 0.809 63.940 63.100 0.051 0.000 0.905 277 P CB -1.193 30.530 31.700 0.039 0.000 0.737 278 G N 3.200 111.979 108.800 -0.034 0.000 2.941 278 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.316 278 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.316 278 G C -2.005 172.653 174.900 -0.404 0.000 0.221 278 G CA -0.234 44.789 45.100 -0.128 0.000 1.224 278 G HN 0.466 nan 8.290 nan 0.000 0.282 279 P HA 0.226 nan 4.420 nan 0.000 0.265 279 P C -0.772 175.883 177.300 -1.076 0.000 1.193 279 P CA 0.113 62.059 63.100 -1.923 0.000 0.765 279 P CB 0.780 31.585 31.700 -1.491 0.000 0.823 280 F N 4.403 123.547 119.950 -1.343 0.000 2.539 280 F HA 0.528 5.055 4.527 -0.000 0.000 0.328 280 F C -1.578 173.965 175.800 -0.428 0.000 1.148 280 F CA -1.078 56.632 58.000 -0.482 0.000 0.940 280 F CB 0.884 39.811 39.000 -0.122 0.000 1.194 280 F HN 0.106 nan 8.300 nan 0.000 0.438 281 F N 5.691 125.381 119.950 -0.434 0.000 2.538 281 F HA 0.635 5.162 4.527 -0.000 0.000 0.325 281 F C -0.611 175.023 175.800 -0.277 0.000 1.066 281 F CA -0.896 56.950 58.000 -0.258 0.000 0.946 281 F CB 1.497 40.417 39.000 -0.133 0.000 1.199 281 F HN 0.526 nan 8.300 nan 0.000 0.473 282 W N 2.307 123.627 121.300 0.034 0.000 3.062 282 W HA 0.791 5.451 4.660 -0.000 0.000 0.336 282 W C -2.034 174.637 176.519 0.253 0.000 1.224 282 W CA -1.339 56.083 57.345 0.127 0.000 1.159 282 W CB 1.938 31.505 29.460 0.179 0.000 1.454 282 W HN 0.636 nan 8.180 nan 0.000 0.569 283 M N 3.391 123.395 119.600 0.673 0.000 2.342 283 M HA 0.324 4.804 4.480 -0.000 0.000 0.260 283 M C -2.658 173.745 176.300 0.171 0.000 1.023 283 M CA -0.271 55.242 55.300 0.355 0.000 0.919 283 M CB 1.978 34.693 32.600 0.191 0.000 2.048 283 M HN 0.500 nan 8.290 nan 0.000 0.479 284 F N 5.433 125.329 119.950 -0.090 0.000 2.480 284 F HA 0.842 5.369 4.527 -0.000 0.000 0.329 284 F C -1.610 174.179 175.800 -0.019 0.000 1.091 284 F CA -0.594 57.088 58.000 -0.530 0.000 0.972 284 F CB 1.541 40.019 39.000 -0.871 0.000 1.150 284 F HN 0.294 nan 8.300 nan 0.000 0.467 285 V N 5.079 124.587 119.914 -0.677 0.000 2.789 285 V HA 0.362 4.482 4.120 -0.000 0.000 0.311 285 V C -1.189 174.652 176.094 -0.421 0.000 1.073 285 V CA -0.905 61.218 62.300 -0.294 0.000 0.921 285 V CB 1.936 33.826 31.823 0.113 0.000 1.009 285 V HN 0.745 nan 8.190 nan 0.000 0.426 286 D N 2.846 123.195 120.400 -0.086 0.000 2.629 286 D HA 0.204 4.844 4.640 -0.000 0.000 0.250 286 D C -0.555 175.815 176.300 0.116 0.000 1.126 286 D CA -0.541 53.475 54.000 0.028 0.000 0.852 286 D CB 1.955 42.819 40.800 0.107 0.000 1.335 286 D HN 0.554 nan 8.370 nan 0.000 0.518 287 N N 4.570 123.398 118.700 0.213 0.000 3.091 287 N HA 0.132 4.872 4.740 -0.000 0.000 0.301 287 N C -0.230 175.267 175.510 -0.021 0.000 1.325 287 N CA -0.140 52.881 53.050 -0.048 0.000 1.143 287 N CB -0.851 37.496 38.487 -0.234 0.000 1.450 287 N HN 0.530 nan 8.380 nan 0.000 0.542 288 L N -0.628 120.595 121.223 0.001 0.000 3.671 288 L HA -0.216 4.124 4.340 -0.000 0.000 0.609 288 L C 0.076 176.967 176.870 0.034 0.000 1.251 288 L CA -0.017 54.828 54.840 0.008 0.000 0.934 288 L CB -1.543 40.503 42.059 -0.022 0.000 1.496 288 L HN 0.216 nan 8.230 nan 0.000 0.854 289 V N 1.100 121.051 119.914 0.062 0.000 3.509 289 V HA 0.312 4.432 4.120 -0.000 0.000 0.286 289 V C 0.387 176.530 176.094 0.081 0.000 1.618 289 V CA 0.143 62.483 62.300 0.066 0.000 1.088 289 V CB 0.695 32.560 31.823 0.070 0.000 0.909 289 V HN 0.329 nan 8.190 nan 0.000 0.429 290 L N 3.218 124.500 121.223 0.099 0.000 2.276 290 L HA 0.473 4.813 4.340 -0.000 0.000 0.286 290 L C 0.408 177.338 176.870 0.100 0.000 1.024 290 L CA -0.465 54.444 54.840 0.115 0.000 0.826 290 L CB 1.477 43.637 42.059 0.168 0.000 1.211 290 L HN 0.507 nan 8.230 nan 0.000 0.422 291 N N 2.427 121.177 118.700 0.083 0.000 2.260 291 N HA -0.073 4.667 4.740 -0.000 0.000 0.230 291 N C 0.877 176.435 175.510 0.080 0.000 1.323 291 N CA -0.250 52.843 53.050 0.071 0.000 0.897 291 N CB 0.456 38.981 38.487 0.062 0.000 1.146 291 N HN 0.582 nan 8.380 nan 0.000 0.460 292 K N -1.410 119.032 120.400 0.070 0.000 2.280 292 K HA -0.197 4.123 4.320 -0.000 0.000 0.202 292 K C 1.527 178.175 176.600 0.080 0.000 1.047 292 K CA 1.414 57.746 56.287 0.075 0.000 0.942 292 K CB -0.082 32.455 32.500 0.061 0.000 0.739 292 K HN 0.738 nan 8.250 nan 0.000 0.457 293 E N 1.063 121.306 120.200 0.072 0.000 2.051 293 E HA -0.157 4.193 4.350 -0.000 0.000 0.189 293 E C 1.120 177.762 176.600 0.069 0.000 0.979 293 E CA 1.202 57.644 56.400 0.071 0.000 0.803 293 E CB 0.121 29.860 29.700 0.065 0.000 0.761 293 E HN 0.394 nan 8.360 nan 0.000 0.451 294 D N 0.733 121.170 120.400 0.062 0.000 2.183 294 D HA -0.135 4.505 4.640 -0.000 0.000 0.203 294 D C 2.032 178.359 176.300 0.044 0.000 0.969 294 D CA 0.392 54.408 54.000 0.027 0.000 0.842 294 D CB -0.087 40.733 40.800 0.033 0.000 0.957 294 D HN 0.184 nan 8.370 nan 0.000 0.484 295 L N 1.501 122.795 121.223 0.118 0.000 2.017 295 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 295 L C 1.649 178.657 176.870 0.230 0.000 1.073 295 L CA 1.714 56.689 54.840 0.224 0.000 0.745 295 L CB -0.444 41.737 42.059 0.204 0.000 0.894 295 L HN -0.118 nan 8.230 nan 0.000 0.432 296 D N -1.331 119.161 120.400 0.154 0.000 2.264 296 D HA -0.110 4.530 4.640 -0.000 0.000 0.208 296 D C 2.219 178.596 176.300 0.128 0.000 0.966 296 D CA 0.997 55.084 54.000 0.146 0.000 0.864 296 D CB 0.311 41.176 40.800 0.109 0.000 0.933 296 D HN 0.224 nan 8.370 nan 0.000 0.499 297 V N 1.560 121.521 119.914 0.078 0.000 2.255 297 V HA -0.186 3.934 4.120 -0.000 0.000 0.243 297 V C 2.661 178.749 176.094 -0.010 0.000 1.038 297 V CA 1.616 63.944 62.300 0.047 0.000 1.008 297 V CB -0.854 30.922 31.823 -0.079 0.000 0.645 297 V HN 0.136 nan 8.190 nan 0.000 0.449 298 A N 0.106 122.821 122.820 -0.175 0.000 1.971 298 A HA -0.306 4.014 4.320 -0.000 0.000 0.222 298 A C 2.415 179.844 177.584 -0.260 0.000 1.182 298 A CA 2.738 54.544 52.037 -0.385 0.000 0.649 298 A CB -0.880 17.778 19.000 -0.570 0.000 0.818 298 A HN 0.549 nan 8.150 nan 0.000 0.458 299 S N -0.858 114.893 115.700 0.086 0.000 2.402 299 S HA -0.095 4.375 4.470 -0.000 0.000 0.229 299 S C 1.979 176.669 174.600 0.150 0.000 1.021 299 S CA 1.106 59.476 58.200 0.284 0.000 0.974 299 S CB -0.230 63.210 63.200 0.400 0.000 0.800 299 S HN 0.642 nan 8.310 nan 0.000 0.484 300 R N -0.259 120.311 120.500 0.116 0.000 2.119 300 R HA 0.117 4.457 4.340 -0.000 0.000 0.222 300 R C 1.638 177.903 176.300 -0.059 0.000 1.088 300 R CA 0.783 56.916 56.100 0.054 0.000 0.984 300 R CB -0.375 29.970 30.300 0.076 0.000 0.884 300 R HN 0.362 nan 8.270 nan 0.000 0.447 301 F N 1.031 120.856 119.950 -0.208 0.000 2.163 301 F HA -0.017 4.510 4.527 -0.000 0.000 0.297 301 F C 2.050 177.566 175.800 -0.473 0.000 1.094 301 F CA 1.073 58.833 58.000 -0.400 0.000 1.290 301 F CB -0.106 38.566 39.000 -0.546 0.000 1.017 301 F HN -0.119 nan 8.300 nan 0.000 0.483 302 L N -0.457 120.655 121.223 -0.185 0.000 2.558 302 L HA 0.014 4.353 4.340 -0.000 0.000 0.225 302 L C 0.251 177.185 176.870 0.107 0.000 1.128 302 L CA 0.406 55.172 54.840 -0.124 0.000 0.868 302 L CB -0.530 41.453 42.059 -0.127 0.000 1.006 302 L HN 0.154 nan 8.230 nan 0.000 0.454 303 E N 0.777 121.018 120.200 0.068 0.000 2.416 303 E HA -0.234 4.116 4.350 -0.000 0.000 0.249 303 E C -0.145 176.573 176.600 0.197 0.000 1.124 303 E CA 0.658 57.123 56.400 0.108 0.000 0.732 303 E CB -1.371 28.377 29.700 0.079 0.000 1.286 303 E HN 0.607 nan 8.360 nan 0.000 0.394 304 M N -2.467 117.291 119.600 0.264 0.000 2.529 304 M HA 0.372 4.852 4.480 -0.000 0.000 0.291 304 M C -1.228 175.259 176.300 0.312 0.000 1.093 304 M CA -0.984 54.470 55.300 0.257 0.000 0.890 304 M CB 1.730 34.496 32.600 0.276 0.000 1.794 304 M HN -0.240 nan 8.290 nan 0.000 0.524 305 E N 2.354 122.638 120.200 0.141 0.000 2.373 305 E HA 0.526 4.876 4.350 -0.000 0.000 0.263 305 E C -2.391 174.115 176.600 -0.157 0.000 1.073 305 E CA -1.196 55.243 56.400 0.064 0.000 0.894 305 E CB 0.564 30.262 29.700 -0.004 0.000 1.008 305 E HN 0.494 nan 8.360 nan 0.000 0.420 306 P HA 0.103 nan 4.420 nan 0.000 0.282 306 P C -0.746 176.166 177.300 -0.646 0.000 1.286 306 P CA -0.306 62.292 63.100 -0.837 0.000 0.777 306 P CB 0.544 31.640 31.700 -1.006 0.000 1.184 307 V N 0.067 119.609 119.914 -0.620 0.000 2.498 307 V HA 0.164 4.284 4.120 -0.000 0.000 0.283 307 V C -0.602 175.396 176.094 -0.160 0.000 1.015 307 V CA -0.416 61.562 62.300 -0.538 0.000 0.867 307 V CB 1.423 33.003 31.823 -0.405 0.000 1.025 307 V HN 0.466 nan 8.190 nan 0.000 0.441 308 T N 6.476 121.111 114.554 0.135 0.000 2.761 308 T HA 0.533 4.883 4.350 -0.000 0.000 0.296 308 T C 0.021 174.838 174.700 0.195 0.000 0.934 308 T CA 0.098 62.264 62.100 0.110 0.000 1.091 308 T CB 0.370 69.309 68.868 0.119 0.000 0.896 308 T HN 0.642 nan 8.240 nan 0.000 0.515 309 I N 2.236 122.882 120.570 0.126 0.000 2.382 309 I HA 0.574 4.744 4.170 -0.000 0.000 0.285 309 I C -2.734 173.436 176.117 0.089 0.000 1.007 309 I CA -2.994 58.445 61.300 0.232 0.000 1.142 309 I CB 2.044 40.172 38.000 0.214 0.000 1.289 309 I HN 0.295 nan 8.210 nan 0.000 0.453 310 P HA 0.210 nan 4.420 nan 0.000 0.279 310 P C -1.136 176.072 177.300 -0.154 0.000 1.252 310 P CA -0.115 62.934 63.100 -0.085 0.000 0.811 310 P CB 1.379 33.003 31.700 -0.127 0.000 1.035 311 D N 0.451 120.770 120.400 -0.135 0.000 2.210 311 D HA 0.194 4.834 4.640 -0.000 0.000 0.249 311 D C 0.013 176.227 176.300 -0.143 0.000 1.062 311 D CA -0.511 53.408 54.000 -0.135 0.000 0.891 311 D CB 0.995 41.729 40.800 -0.109 0.000 1.186 311 D HN -0.028 nan 8.370 nan 0.000 0.432 312 V N 3.705 123.533 119.914 -0.145 0.000 3.367 312 V HA -0.076 4.044 4.120 -0.000 0.000 0.304 312 V C 0.839 176.899 176.094 -0.056 0.000 1.131 312 V CA 0.057 62.296 62.300 -0.102 0.000 1.233 312 V CB 0.135 31.896 31.823 -0.103 0.000 1.021 312 V HN 0.668 nan 8.190 nan 0.000 0.497 313 H N 1.875 120.875 119.070 -0.118 0.000 3.017 313 H HA 0.177 4.733 4.556 -0.000 0.000 0.276 313 H C 0.866 176.153 175.328 -0.070 0.000 1.062 313 H CA -0.240 55.754 56.048 -0.089 0.000 1.486 313 H CB 0.338 30.052 29.762 -0.082 0.000 1.507 313 H HN 0.710 nan 8.280 nan 0.000 0.508 314 G N 1.669 110.392 108.800 -0.129 0.000 3.314 314 G HA2 0.324 4.284 3.960 -0.000 0.000 0.238 314 G HA3 0.324 4.284 3.960 -0.000 0.000 0.238 314 G C 0.994 175.841 174.900 -0.088 0.000 1.184 314 G CA 0.002 45.011 45.100 -0.151 0.000 0.806 314 G HN 1.012 nan 8.290 nan 0.000 0.536 315 G N -1.091 107.698 108.800 -0.019 0.000 3.288 315 G HA2 0.119 4.079 3.960 -0.000 0.000 0.219 315 G HA3 0.119 4.079 3.960 -0.000 0.000 0.219 315 G C 0.607 175.551 174.900 0.073 0.000 0.944 315 G CA 0.906 46.030 45.100 0.041 0.000 0.854 315 G HN 1.399 nan 8.290 nan 0.000 0.632 316 S N -2.030 113.723 115.700 0.088 0.000 2.365 316 S HA 0.364 4.834 4.470 -0.000 0.000 0.126 316 S C -0.413 174.207 174.600 0.034 0.000 0.626 316 S CA 0.742 58.971 58.200 0.050 0.000 1.493 316 S CB 0.413 63.620 63.200 0.011 0.000 0.946 316 S HN 1.856 nan 8.310 nan 0.000 0.277 317 L N 0.590 121.821 121.223 0.012 0.000 3.028 317 L HA 0.447 4.787 4.340 -0.000 0.000 0.244 317 L C -1.224 175.624 176.870 -0.037 0.000 0.986 317 L CA -0.316 54.512 54.840 -0.019 0.000 1.031 317 L CB 1.166 43.205 42.059 -0.033 0.000 1.502 317 L HN 0.324 nan 8.230 nan 0.000 0.414 318 Q N 1.432 121.199 119.800 -0.055 0.000 2.418 318 Q HA 0.367 4.707 4.340 -0.000 0.000 0.176 318 Q C -0.219 175.743 176.000 -0.064 0.000 0.747 318 Q CA 0.266 56.032 55.803 -0.061 0.000 0.776 318 Q CB 0.533 29.226 28.738 -0.074 0.000 1.118 318 Q HN 0.837 nan 8.270 nan 0.000 0.570 319 N N -0.456 118.196 118.700 -0.081 0.000 2.902 319 N HA 0.678 5.418 4.740 -0.000 0.000 0.268 319 N C -1.256 174.196 175.510 -0.096 0.000 1.450 319 N CA -0.397 52.600 53.050 -0.087 0.000 0.819 319 N CB 1.972 40.395 38.487 -0.105 0.000 1.540 319 N HN 0.201 nan 8.380 nan 0.000 0.545 320 A N -0.466 122.295 122.820 -0.098 0.000 2.475 320 A HA 0.815 5.135 4.320 -0.000 0.000 0.281 320 A C -1.393 176.121 177.584 -0.115 0.000 1.263 320 A CA -0.666 51.318 52.037 -0.089 0.000 0.776 320 A CB 1.493 20.460 19.000 -0.056 0.000 1.347 320 A HN 0.429 nan 8.150 nan 0.000 0.443 321 V N 0.386 120.247 119.914 -0.089 0.000 2.817 321 V HA 0.424 4.544 4.120 -0.000 0.000 0.303 321 V C -0.787 175.252 176.094 -0.092 0.000 1.151 321 V CA -0.533 61.707 62.300 -0.101 0.000 0.929 321 V CB 2.100 33.855 31.823 -0.114 0.000 1.030 321 V HN 0.909 nan 8.190 nan 0.000 0.427 322 R N 2.746 123.170 120.500 -0.126 0.000 2.368 322 R HA 0.841 5.181 4.340 -0.000 0.000 0.302 322 R C -1.293 174.807 176.300 -0.334 0.000 1.002 322 R CA -0.557 55.378 56.100 -0.275 0.000 0.929 322 R CB 2.086 32.191 30.300 -0.325 0.000 1.073 322 R HN 0.436 nan 8.270 nan 0.000 0.464 323 V N 3.313 122.941 119.914 -0.476 0.000 2.733 323 V HA 0.401 4.521 4.120 -0.000 0.000 0.306 323 V C -0.966 174.909 176.094 -0.365 0.000 1.084 323 V CA -0.793 61.326 62.300 -0.302 0.000 0.905 323 V CB 2.044 33.771 31.823 -0.160 0.000 1.010 323 V HN 0.686 nan 8.190 nan 0.000 0.424 324 W N 2.949 124.227 121.300 -0.037 0.000 2.606 324 W HA 0.792 5.452 4.660 -0.000 0.000 0.332 324 W C 0.255 176.687 176.519 -0.145 0.000 1.052 324 W CA -0.368 56.994 57.345 0.027 0.000 1.223 324 W CB 2.092 31.724 29.460 0.286 0.000 1.383 324 W HN 0.652 nan 8.180 nan 0.000 0.524 325 S N 0.961 116.501 115.700 -0.265 0.000 2.663 325 S HA 0.124 4.594 4.470 -0.000 0.000 0.264 325 S C -0.331 173.753 174.600 -0.861 0.000 1.112 325 S CA -0.528 57.163 58.200 -0.849 0.000 0.823 325 S CB 0.558 63.501 63.200 -0.430 0.000 1.111 325 S HN 0.572 nan 8.310 nan 0.000 0.476 326 N N 0.978 119.146 118.700 -0.887 0.000 2.159 326 N HA 0.201 4.941 4.740 -0.000 0.000 0.217 326 N C -0.084 175.328 175.510 -0.163 0.000 1.223 326 N CA -0.176 52.611 53.050 -0.437 0.000 0.896 326 N CB -0.204 38.067 38.487 -0.360 0.000 1.064 326 N HN 0.660 nan 8.380 nan 0.000 0.518 327 I N 3.352 123.792 120.570 -0.215 0.000 2.598 327 I HA 0.109 4.279 4.170 -0.000 0.000 0.284 327 I C -1.720 174.217 176.117 -0.301 0.000 1.140 327 I CA -1.399 59.743 61.300 -0.263 0.000 1.420 327 I CB 0.123 37.892 38.000 -0.384 0.000 1.387 327 I HN -0.148 nan 8.210 nan 0.000 0.553 328 P HA -0.154 nan 4.420 nan 0.000 0.265 328 P C 0.091 177.222 177.300 -0.282 0.000 1.167 328 P CA 0.232 63.042 63.100 -0.484 0.000 0.760 328 P CB 0.445 31.379 31.700 -1.276 0.000 0.783 329 A N 2.424 125.171 122.820 -0.122 0.000 2.251 329 A HA -0.209 4.111 4.320 -0.000 0.000 0.283 329 A C 0.657 178.170 177.584 -0.119 0.000 1.415 329 A CA 0.780 52.789 52.037 -0.046 0.000 0.742 329 A CB -2.282 16.757 19.000 0.065 0.000 1.151 329 A HN 0.598 nan 8.150 nan 0.000 0.354 330 I N -1.090 119.388 120.570 -0.154 0.000 4.187 330 I HA 0.211 4.381 4.170 -0.000 0.000 0.326 330 I C 1.654 177.661 176.117 -0.183 0.000 1.302 330 I CA 0.712 61.899 61.300 -0.188 0.000 1.196 330 I CB -0.027 37.838 38.000 -0.226 0.000 1.095 330 I HN 0.462 nan 8.210 nan 0.000 0.411 331 R N -0.609 119.797 120.500 -0.155 0.000 2.300 331 R HA 0.239 4.579 4.340 -0.000 0.000 0.199 331 R C 1.663 177.885 176.300 -0.129 0.000 0.920 331 R CA 0.649 56.654 56.100 -0.157 0.000 1.046 331 R CB 0.028 30.253 30.300 -0.124 0.000 0.984 331 R HN 0.204 nan 8.270 nan 0.000 0.493 332 S N 0.530 116.145 115.700 -0.141 0.000 2.528 332 S HA 0.107 4.577 4.470 -0.000 0.000 0.219 332 S C 1.131 175.544 174.600 -0.312 0.000 0.985 332 S CA 0.308 58.407 58.200 -0.169 0.000 0.914 332 S CB 0.281 63.414 63.200 -0.112 0.000 0.776 332 S HN 0.233 nan 8.310 nan 0.000 0.526 333 R N 1.340 121.632 120.500 -0.346 0.000 2.586 333 R HA 0.200 4.540 4.340 -0.000 0.000 0.306 333 R C -0.521 175.320 176.300 -0.765 0.000 1.079 333 R CA -0.059 55.679 56.100 -0.603 0.000 1.083 333 R CB -0.166 29.955 30.300 -0.299 0.000 1.306 333 R HN 0.290 nan 8.270 nan 0.000 0.567 334 H N 0.033 118.689 119.070 -0.690 0.000 2.519 334 H HA 0.149 4.705 4.556 -0.000 0.000 0.316 334 H C -0.875 174.155 175.328 -0.496 0.000 1.065 334 H CA -0.507 55.272 56.048 -0.447 0.000 1.264 334 H CB 0.501 30.108 29.762 -0.258 0.000 1.413 334 H HN 0.124 nan 8.280 nan 0.000 0.465 335 W N 5.387 126.466 121.300 -0.367 0.000 2.347 335 W HA 0.338 4.998 4.660 -0.000 0.000 0.321 335 W C 0.611 176.860 176.519 -0.449 0.000 0.971 335 W CA -0.594 56.561 57.345 -0.316 0.000 1.508 335 W CB 0.628 29.991 29.460 -0.161 0.000 1.299 335 W HN 0.892 nan 8.180 nan 0.000 0.399 336 A N 2.401 125.017 122.820 -0.340 0.000 2.139 336 A HA -0.233 4.087 4.320 -0.000 0.000 0.221 336 A C 2.038 179.576 177.584 -0.076 0.000 1.159 336 A CA 1.173 53.066 52.037 -0.240 0.000 0.662 336 A CB -0.321 18.601 19.000 -0.131 0.000 0.796 336 A HN 0.580 nan 8.150 nan 0.000 0.463 337 L N -0.268 120.954 121.223 -0.001 0.000 2.151 337 L HA -0.186 4.154 4.340 -0.000 0.000 0.219 337 L C 0.867 177.731 176.870 -0.010 0.000 1.083 337 L CA 1.657 56.509 54.840 0.020 0.000 0.782 337 L CB -0.593 41.500 42.059 0.058 0.000 0.891 337 L HN 0.190 nan 8.230 nan 0.000 0.439 338 V N -0.396 119.510 119.914 -0.013 0.000 2.607 338 V HA 0.353 4.473 4.120 -0.000 0.000 0.289 338 V C 0.407 176.493 176.094 -0.013 0.000 1.053 338 V CA -0.079 62.210 62.300 -0.017 0.000 0.996 338 V CB 1.194 33.009 31.823 -0.014 0.000 0.995 338 V HN 0.327 nan 8.190 nan 0.000 0.476 339 S N 2.360 118.055 115.700 -0.009 0.000 2.501 339 S HA 0.517 4.987 4.470 -0.000 0.000 0.301 339 S C 1.179 175.781 174.600 0.003 0.000 1.096 339 S CA 0.195 58.395 58.200 -0.001 0.000 1.063 339 S CB 1.754 64.953 63.200 -0.002 0.000 1.042 339 S HN 1.005 nan 8.310 nan 0.000 0.494 340 E N 3.102 123.307 120.200 0.010 0.000 2.108 340 E HA -0.300 4.050 4.350 -0.000 0.000 0.203 340 E C 1.507 178.112 176.600 0.010 0.000 1.022 340 E CA 2.442 58.850 56.400 0.013 0.000 0.823 340 E CB -1.444 28.267 29.700 0.020 0.000 0.744 340 E HN 0.982 nan 8.360 nan 0.000 0.456 341 E N 0.020 120.224 120.200 0.008 0.000 2.110 341 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 341 E C 2.102 178.702 176.600 0.001 0.000 0.988 341 E CA 1.142 57.546 56.400 0.006 0.000 0.804 341 E CB -0.160 29.543 29.700 0.006 0.000 0.745 341 E HN 0.547 nan 8.360 nan 0.000 0.458 342 E N 1.156 121.355 120.200 -0.002 0.000 2.085 342 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 342 E C 2.323 178.918 176.600 -0.010 0.000 0.994 342 E CA 1.023 57.419 56.400 -0.008 0.000 0.801 342 E CB -0.249 29.444 29.700 -0.013 0.000 0.743 342 E HN 0.412 nan 8.360 nan 0.000 0.453 343 L N 0.819 122.037 121.223 -0.007 0.000 2.005 343 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 343 L C 2.477 179.344 176.870 -0.005 0.000 1.072 343 L CA 1.074 55.909 54.840 -0.009 0.000 0.744 343 L CB -0.495 41.561 42.059 -0.006 0.000 0.895 343 L HN -0.021 nan 8.230 nan 0.000 0.433 344 S N 0.296 115.998 115.700 0.002 0.000 2.461 344 S HA -0.189 4.281 4.470 -0.000 0.000 0.249 344 S C 1.875 176.477 174.600 0.003 0.000 1.012 344 S CA 1.245 59.449 58.200 0.007 0.000 0.982 344 S CB -0.452 62.754 63.200 0.011 0.000 0.764 344 S HN 0.297 nan 8.310 nan 0.000 0.506 345 L N 0.030 121.252 121.223 -0.001 0.000 2.068 345 L HA -0.024 4.316 4.340 -0.000 0.000 0.204 345 L C 1.832 178.698 176.870 -0.006 0.000 1.076 345 L CA 0.684 55.522 54.840 -0.003 0.000 0.753 345 L CB -0.618 41.437 42.059 -0.006 0.000 0.910 345 L HN 0.255 nan 8.230 nan 0.000 0.439 346 L N 0.328 121.544 121.223 -0.012 0.000 2.447 346 L HA -0.145 4.195 4.340 -0.000 0.000 0.225 346 L C 2.615 179.478 176.870 -0.012 0.000 1.148 346 L CA 1.489 56.319 54.840 -0.017 0.000 0.808 346 L CB -1.392 40.651 42.059 -0.027 0.000 0.928 346 L HN 0.174 nan 8.230 nan 0.000 0.448 347 A N -0.529 122.288 122.820 -0.005 0.000 1.835 347 A HA -0.200 4.120 4.320 -0.000 0.000 0.215 347 A C 1.806 179.392 177.584 0.004 0.000 1.199 347 A CA 1.020 53.058 52.037 0.002 0.000 0.615 347 A CB -0.570 18.435 19.000 0.009 0.000 0.838 347 A HN 0.409 nan 8.150 nan 0.000 0.444 348 Q N 0.530 120.333 119.800 0.004 0.000 2.336 348 Q HA 0.168 4.508 4.340 -0.000 0.000 0.231 348 Q C -0.010 175.991 176.000 0.002 0.000 0.900 348 Q CA 0.566 56.372 55.803 0.005 0.000 0.966 348 Q CB -0.196 28.546 28.738 0.006 0.000 1.219 348 Q HN 0.745 nan 8.270 nan 0.000 0.412 349 N N -1.110 117.589 118.700 -0.001 0.000 3.400 349 N HA 0.039 4.779 4.740 -0.000 0.000 0.246 349 N C 1.475 176.981 175.510 -0.006 0.000 1.034 349 N CA 0.806 53.853 53.050 -0.005 0.000 1.158 349 N CB -0.558 37.924 38.487 -0.009 0.000 1.349 349 N HN 0.089 nan 8.380 nan 0.000 0.865 350 K N 1.413 121.807 120.400 -0.011 0.000 2.218 350 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 350 K C 1.776 178.375 176.600 -0.002 0.000 1.046 350 K CA 1.928 58.208 56.287 -0.012 0.000 0.933 350 K CB -0.929 31.557 32.500 -0.024 0.000 0.728 350 K HN 0.432 nan 8.250 nan 0.000 0.454 351 Q N -0.081 119.720 119.800 0.003 0.000 2.061 351 Q HA 0.014 4.354 4.340 -0.000 0.000 0.195 351 Q C 0.491 176.497 176.000 0.010 0.000 0.967 351 Q CA 1.060 56.870 55.803 0.011 0.000 0.829 351 Q CB 0.323 29.069 28.738 0.014 0.000 0.900 351 Q HN 0.488 nan 8.270 nan 0.000 0.450 352 S N 1.765 117.469 115.700 0.007 0.000 4.139 352 S HA 0.222 4.692 4.470 -0.000 0.000 0.215 352 S C -0.779 173.824 174.600 0.004 0.000 1.390 352 S CA 0.054 58.258 58.200 0.007 0.000 0.885 352 S CB -0.149 63.054 63.200 0.006 0.000 1.560 352 S HN 0.477 nan 8.310 nan 0.000 0.449 353 S N -0.777 114.927 115.700 0.006 0.000 2.688 353 S HA 0.568 5.038 4.470 -0.000 0.000 0.266 353 S C -0.480 174.124 174.600 0.007 0.000 1.061 353 S CA -0.907 57.295 58.200 0.004 0.000 0.844 353 S CB 0.700 63.900 63.200 0.000 0.000 1.103 353 S HN 0.360 nan 8.310 nan 0.000 0.471 354 K N -0.016 120.387 120.400 0.006 0.000 3.216 354 K HA 0.721 5.041 4.320 -0.000 0.000 0.277 354 K C 0.697 177.303 176.600 0.009 0.000 1.246 354 K CA 0.356 56.648 56.287 0.008 0.000 1.227 354 K CB -1.675 30.830 32.500 0.007 0.000 1.487 354 K HN 1.624 nan 8.250 nan 0.000 0.341 355 L N -0.381 120.848 121.223 0.009 0.000 2.479 355 L HA 0.906 5.246 4.340 -0.000 0.000 0.248 355 L C 0.854 177.735 176.870 0.018 0.000 1.205 355 L CA -0.497 54.349 54.840 0.009 0.000 0.817 355 L CB 0.420 42.483 42.059 0.005 0.000 1.162 355 L HN 0.848 nan 8.230 nan 0.000 0.486 356 A N -0.126 122.706 122.820 0.021 0.000 2.356 356 A HA 0.738 5.058 4.320 -0.000 0.000 0.323 356 A C 0.879 178.493 177.584 0.049 0.000 1.119 356 A CA -0.032 52.026 52.037 0.034 0.000 0.790 356 A CB 0.860 19.879 19.000 0.031 0.000 1.273 356 A HN 2.507 nan 8.150 nan 0.000 0.452 357 A N 0.938 123.799 122.820 0.069 0.000 2.150 357 A HA 0.461 4.781 4.320 -0.000 0.000 0.220 357 A C 1.095 178.761 177.584 0.138 0.000 1.356 357 A CA 0.844 52.944 52.037 0.105 0.000 1.145 357 A CB -1.680 17.385 19.000 0.109 0.000 0.826 357 A HN 1.348 nan 8.150 nan 0.000 0.524 358 K N 1.027 121.485 120.400 0.097 0.000 2.351 358 K HA 0.077 4.397 4.320 -0.000 0.000 0.287 358 K C -0.147 176.519 176.600 0.111 0.000 1.068 358 K CA -0.428 55.918 56.287 0.098 0.000 0.998 358 K CB -0.274 32.252 32.500 0.042 0.000 0.968 358 K HN 0.656 nan 8.250 nan 0.000 0.464 359 W N 5.619 126.940 121.300 0.034 0.000 2.446 359 W HA 0.163 4.823 4.660 -0.000 0.000 0.316 359 W C -2.187 174.354 176.519 0.037 0.000 1.376 359 W CA -2.337 55.032 57.345 0.040 0.000 1.300 359 W CB 0.949 30.446 29.460 0.062 0.000 1.351 359 W HN 0.506 nan 8.180 nan 0.000 0.530 360 P HA -0.137 nan 4.420 nan 0.000 0.311 360 P C 1.529 178.647 177.300 -0.303 0.000 1.543 360 P CA 1.017 63.849 63.100 -0.447 0.000 0.766 360 P CB -0.462 30.928 31.700 -0.517 0.000 1.711 361 T N -2.766 111.734 114.554 -0.091 0.000 2.751 361 T HA -0.276 4.074 4.350 -0.000 0.000 0.268 361 T C 1.626 176.370 174.700 0.072 0.000 1.045 361 T CA 1.310 63.488 62.100 0.129 0.000 1.142 361 T CB -0.477 68.521 68.868 0.217 0.000 0.851 361 T HN 0.075 nan 8.240 nan 0.000 0.474 362 K N 0.895 121.304 120.400 0.015 0.000 2.218 362 K HA 0.094 4.414 4.320 -0.000 0.000 0.205 362 K C 2.126 178.734 176.600 0.013 0.000 1.046 362 K CA 0.552 56.848 56.287 0.016 0.000 0.933 362 K CB -0.695 31.797 32.500 -0.013 0.000 0.728 362 K HN 0.266 nan 8.250 nan 0.000 0.454 363 L N 0.089 121.300 121.223 -0.020 0.000 1.976 363 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 363 L C 2.230 179.119 176.870 0.031 0.000 1.071 363 L CA 1.907 56.737 54.840 -0.017 0.000 0.746 363 L CB -1.216 40.798 42.059 -0.075 0.000 0.890 363 L HN 0.182 nan 8.230 nan 0.000 0.432 364 V N -3.639 116.312 119.914 0.061 0.000 3.052 364 V HA -0.068 4.052 4.120 -0.000 0.000 0.254 364 V C 2.463 178.598 176.094 0.068 0.000 1.100 364 V CA 0.785 63.114 62.300 0.049 0.000 1.112 364 V CB -0.533 31.365 31.823 0.125 0.000 0.738 364 V HN 0.355 nan 8.190 nan 0.000 0.469 365 K N 1.372 121.877 120.400 0.175 0.000 2.056 365 K HA -0.347 3.973 4.320 -0.000 0.000 0.225 365 K C 1.954 178.696 176.600 0.237 0.000 1.053 365 K CA 2.695 59.138 56.287 0.259 0.000 0.966 365 K CB -0.438 32.157 32.500 0.158 0.000 0.735 365 K HN 0.576 nan 8.250 nan 0.000 0.455 366 N N 0.359 119.125 118.700 0.110 0.000 2.520 366 N HA -0.105 4.635 4.740 -0.000 0.000 0.185 366 N C 1.690 177.183 175.510 -0.028 0.000 1.068 366 N CA 1.032 54.124 53.050 0.069 0.000 0.911 366 N CB -0.463 38.066 38.487 0.070 0.000 0.961 366 N HN 0.362 nan 8.380 nan 0.000 0.446 367 C N -0.105 119.100 119.300 -0.159 0.000 2.419 367 C HA -0.032 4.428 4.460 -0.000 0.000 0.281 367 C C 2.119 176.858 174.990 -0.417 0.000 1.336 367 C CA 0.043 58.857 59.018 -0.340 0.000 1.770 367 C CB -1.674 25.762 27.740 -0.507 0.000 1.929 367 C HN 0.337 nan 8.230 nan 0.000 0.509 368 F N 0.787 120.719 119.950 -0.030 0.000 2.802 368 F HA 0.080 4.607 4.527 -0.000 0.000 0.300 368 F C 2.004 177.809 175.800 0.009 0.000 1.168 368 F CA 0.393 58.381 58.000 -0.021 0.000 1.433 368 F CB -0.627 38.438 39.000 0.109 0.000 1.115 368 F HN 0.177 nan 8.300 nan 0.000 0.582 369 L N 0.475 121.696 121.223 -0.004 0.000 2.131 369 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 369 L C -0.463 176.119 176.870 -0.480 0.000 1.092 369 L CA 1.065 55.778 54.840 -0.212 0.000 0.759 369 L CB -1.721 40.121 42.059 -0.362 0.000 0.903 369 L HN 0.081 nan 8.230 nan 0.000 0.435 370 P HA -0.120 nan 4.420 nan 0.000 0.225 370 P C 1.818 178.991 177.300 -0.210 0.000 1.156 370 P CA 0.996 63.900 63.100 -0.326 0.000 0.787 370 P CB 0.075 31.619 31.700 -0.259 0.000 0.802 371 L N -0.647 120.469 121.223 -0.178 0.000 2.191 371 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 371 L C 2.611 179.487 176.870 0.009 0.000 1.103 371 L CA 1.095 55.820 54.840 -0.192 0.000 0.769 371 L CB -0.553 41.327 42.059 -0.299 0.000 0.908 371 L HN -0.059 nan 8.230 nan 0.000 0.438 372 R N 0.294 120.919 120.500 0.207 0.000 2.293 372 R HA -0.197 4.143 4.340 -0.000 0.000 0.219 372 R C 1.712 178.006 176.300 -0.009 0.000 1.091 372 R CA 0.882 57.102 56.100 0.200 0.000 1.004 372 R CB 0.128 30.431 30.300 0.006 0.000 0.865 372 R HN 0.214 nan 8.270 nan 0.000 0.469 373 E N -1.378 118.725 120.200 -0.162 0.000 2.474 373 E HA -0.039 4.311 4.350 -0.000 0.000 0.194 373 E C 0.324 176.637 176.600 -0.479 0.000 1.041 373 E CA 0.693 56.913 56.400 -0.300 0.000 0.874 373 E CB 0.250 29.748 29.700 -0.336 0.000 0.914 373 E HN 0.446 nan 8.360 nan 0.000 0.498 374 Y N -2.122 118.016 120.300 -0.271 0.000 2.607 374 Y HA 0.291 4.841 4.550 -0.000 0.000 0.276 374 Y C 0.435 176.021 175.900 -0.523 0.000 1.117 374 Y CA -0.391 57.403 58.100 -0.510 0.000 1.273 374 Y CB 0.583 38.528 38.460 -0.858 0.000 1.282 374 Y HN -0.134 nan 8.280 nan 0.000 0.514 375 F N -0.024 120.044 119.950 0.197 0.000 2.611 375 F HA 0.443 4.970 4.527 -0.000 0.000 0.374 375 F C 0.137 175.992 175.800 0.092 0.000 1.110 375 F CA -1.666 56.410 58.000 0.126 0.000 1.090 375 F CB 0.559 39.612 39.000 0.089 0.000 1.388 375 F HN -0.470 nan 8.300 nan 0.000 0.501 376 K N 0.518 121.060 120.400 0.236 0.000 2.350 376 K HA 0.117 4.437 4.320 -0.000 0.000 0.279 376 K C -1.573 174.877 176.600 -0.249 0.000 1.027 376 K CA 0.010 56.259 56.287 -0.063 0.000 0.969 376 K CB 0.184 32.567 32.500 -0.195 0.000 0.954 376 K HN 0.470 nan 8.250 nan 0.000 0.474 377 Y N 4.618 124.669 120.300 -0.414 0.000 2.360 377 Y HA 0.424 4.974 4.550 -0.000 0.000 0.337 377 Y C -1.409 174.197 175.900 -0.489 0.000 1.039 377 Y CA -1.294 56.556 58.100 -0.417 0.000 1.109 377 Y CB 0.728 39.065 38.460 -0.204 0.000 1.201 377 Y HN 0.546 nan 8.280 nan 0.000 0.458 378 F N 4.983 124.486 119.950 -0.745 0.000 2.311 378 F HA 0.274 4.801 4.527 -0.000 0.000 0.371 378 F C 0.397 175.675 175.800 -0.871 0.000 1.083 378 F CA -1.059 56.578 58.000 -0.605 0.000 1.113 378 F CB 0.879 39.713 39.000 -0.276 0.000 1.349 378 F HN 0.524 nan 8.300 nan 0.000 0.470 379 S N 1.923 117.265 115.700 -0.596 0.000 2.552 379 S HA 0.257 4.727 4.470 -0.000 0.000 0.289 379 S C 0.423 174.945 174.600 -0.129 0.000 1.304 379 S CA -0.567 57.427 58.200 -0.343 0.000 1.063 379 S CB 0.576 63.730 63.200 -0.076 0.000 0.848 379 S HN 0.757 nan 8.310 nan 0.000 0.499 380 T N 0.000 114.518 114.554 -0.060 0.000 3.816 380 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 380 T CA 0.000 62.087 62.100 -0.021 0.000 1.349 380 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 380 T HN 0.000 nan 8.240 nan 0.000 0.658