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 1i0d_1_A DATA FIRST_RESID 35 DATA SEQUENCE DRINTVRGPI TISEAGFTLT HEHICGSSAG FLRAWPEFFG SRKALAEKAV DATA SEQUENCE RGLRRARAAG VRTIVDVSTF DIGRDVSLLA EVSRAADVHI VAATGLWFDP DATA SEQUENCE PLSMRLRSVE ELTQFFLREI QYGIEDTGIR AGIIKVATTG KATPFQELVL DATA SEQUENCE KAAARASLAT GVPVTTHTAA SQRDGEQQAA IFESEGLSPS RVCIGHSDDT DATA SEQUENCE DDLSYLTALA ARGYLIGLDH IPHSAIGLED NASASALLGI RSWQTRALLI DATA SEQUENCE KALIDQGYMK QILVSNDWLF GFSSYVTNIM DVMDRVNPDG MAFIPLRVIP DATA SEQUENCE FLREKGVPQE TLAGITVTNP ARFLSPTLRA S 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 35 D HA 0.000 nan 4.640 nan 0.000 0.175 35 D C 0.000 176.271 176.300 -0.048 0.000 2.045 35 D CA 0.000 53.975 54.000 -0.041 0.000 0.868 35 D CB 0.000 40.781 40.800 -0.032 0.000 0.688 36 R N 0.091 120.558 120.500 -0.056 0.000 2.744 36 R HA 0.756 5.097 4.340 0.001 0.000 0.279 36 R C -0.958 175.296 176.300 -0.078 0.000 0.977 36 R CA -0.693 55.368 56.100 -0.064 0.000 0.906 36 R CB 2.482 32.749 30.300 -0.056 0.000 1.197 36 R HN -0.033 nan 8.270 nan 0.000 0.463 37 I N 1.706 122.223 120.570 -0.089 0.000 2.378 37 I HA 0.266 4.437 4.170 0.001 0.000 0.291 37 I C -0.368 175.693 176.117 -0.093 0.000 0.992 37 I CA -0.638 60.603 61.300 -0.098 0.000 1.154 37 I CB 1.925 39.862 38.000 -0.105 0.000 1.315 37 I HN 0.486 nan 8.210 nan 0.000 0.448 38 N N 3.996 122.644 118.700 -0.086 0.000 2.497 38 N HA 0.294 5.034 4.740 0.001 0.000 0.271 38 N C -0.264 175.211 175.510 -0.058 0.000 1.142 38 N CA -0.040 52.969 53.050 -0.069 0.000 0.965 38 N CB 0.954 39.399 38.487 -0.069 0.000 1.077 38 N HN 0.664 nan 8.380 nan 0.000 0.462 39 T N -2.382 112.149 114.554 -0.038 0.000 2.888 39 T HA 0.245 4.596 4.350 0.001 0.000 0.288 39 T C 1.197 175.902 174.700 0.008 0.000 1.063 39 T CA -0.909 61.186 62.100 -0.008 0.000 1.010 39 T CB 0.947 69.827 68.868 0.020 0.000 1.214 39 T HN 0.164 nan 8.240 nan 0.000 0.533 40 V N -0.922 119.007 119.914 0.026 0.000 3.078 40 V HA 0.196 4.317 4.120 0.001 0.000 0.265 40 V C 1.733 177.846 176.094 0.031 0.000 1.122 40 V CA 0.784 63.098 62.300 0.024 0.000 1.141 40 V CB -1.228 30.611 31.823 0.026 0.000 0.735 40 V HN 0.825 nan 8.190 nan 0.000 0.498 41 R N 0.815 121.341 120.500 0.044 0.000 2.432 41 R HA 0.543 4.883 4.340 0.001 0.000 0.260 41 R C 0.908 177.229 176.300 0.034 0.000 0.935 41 R CA 0.511 56.638 56.100 0.045 0.000 1.080 41 R CB 0.783 31.123 30.300 0.068 0.000 1.155 41 R HN 0.720 nan 8.270 nan 0.000 0.531 42 G N 1.558 110.370 108.800 0.020 0.000 2.373 42 G HA2 -0.144 3.817 3.960 0.001 0.000 0.634 42 G HA3 -0.144 3.817 3.960 0.001 0.000 0.634 42 G C -3.050 171.841 174.900 -0.014 0.000 1.267 42 G CA -1.288 43.815 45.100 0.004 0.000 1.008 42 G HN -0.141 nan 8.290 nan 0.000 0.497 43 P HA 0.562 nan 4.420 nan 0.000 0.275 43 P C 0.022 177.284 177.300 -0.063 0.000 1.227 43 P CA -0.113 62.959 63.100 -0.047 0.000 0.781 43 P CB 0.797 32.473 31.700 -0.040 0.000 0.906 44 I N -1.527 118.980 120.570 -0.105 0.000 2.892 44 I HA 0.654 4.825 4.170 0.001 0.000 0.306 44 I C 0.117 176.165 176.117 -0.115 0.000 1.078 44 I CA -1.051 60.161 61.300 -0.146 0.000 1.032 44 I CB 2.242 40.039 38.000 -0.338 0.000 1.229 44 I HN 0.231 nan 8.210 nan 0.000 0.435 45 T N 0.732 115.231 114.554 -0.092 0.000 2.849 45 T HA 0.323 4.674 4.350 0.001 0.000 0.284 45 T C 1.331 175.987 174.700 -0.074 0.000 1.004 45 T CA -0.705 61.356 62.100 -0.065 0.000 1.021 45 T CB 1.048 69.893 68.868 -0.039 0.000 1.013 45 T HN 0.504 nan 8.240 nan 0.000 0.527 46 I N 1.706 122.243 120.570 -0.055 0.000 2.194 46 I HA -0.190 3.981 4.170 0.001 0.000 0.246 46 I C 2.845 178.942 176.117 -0.033 0.000 1.093 46 I CA 1.901 63.173 61.300 -0.047 0.000 1.355 46 I CB -2.206 35.773 38.000 -0.036 0.000 1.046 46 I HN 0.904 nan 8.210 nan 0.000 0.413 47 S N 0.322 116.009 115.700 -0.021 0.000 2.442 47 S HA -0.147 4.324 4.470 0.001 0.000 0.236 47 S C 1.696 176.301 174.600 0.009 0.000 1.007 47 S CA 0.833 59.032 58.200 -0.003 0.000 0.965 47 S CB -0.555 62.647 63.200 0.003 0.000 0.773 47 S HN 0.545 nan 8.310 nan 0.000 0.504 48 E N 1.388 121.579 120.200 -0.014 0.000 2.274 48 E HA 0.108 4.458 4.350 0.001 0.000 0.194 48 E C 2.257 178.867 176.600 0.016 0.000 0.996 48 E CA 0.568 56.973 56.400 0.010 0.000 0.840 48 E CB -0.302 29.362 29.700 -0.060 0.000 0.772 48 E HN 0.706 nan 8.360 nan 0.000 0.491 49 A N 1.453 124.250 122.820 -0.038 0.000 1.908 49 A HA -0.027 4.294 4.320 0.001 0.000 0.218 49 A C 1.637 179.292 177.584 0.119 0.000 1.181 49 A CA 1.486 53.531 52.037 0.013 0.000 0.627 49 A CB -1.126 17.865 19.000 -0.015 0.000 0.818 49 A HN 0.365 nan 8.150 nan 0.000 0.445 50 G N -1.367 107.490 108.800 0.095 0.000 2.574 50 G HA2 -0.260 3.701 3.960 0.001 0.000 0.282 50 G HA3 -0.260 3.701 3.960 0.001 0.000 0.282 50 G C 0.060 175.054 174.900 0.157 0.000 1.257 50 G CA 0.142 45.319 45.100 0.128 0.000 0.956 50 G HN 1.182 nan 8.290 nan 0.000 0.560 51 F N 2.840 122.817 119.950 0.044 0.000 2.571 51 F HA 0.483 5.011 4.527 0.001 0.000 0.390 51 F C 0.900 176.730 175.800 0.051 0.000 1.043 51 F CA 0.810 58.834 58.000 0.039 0.000 1.164 51 F CB 0.180 39.197 39.000 0.029 0.000 1.049 51 F HN 0.470 nan 8.300 nan 0.000 0.552 52 T N 7.655 122.259 114.554 0.082 0.000 2.841 52 T HA 0.473 4.824 4.350 0.001 0.000 0.283 52 T C -0.402 174.357 174.700 0.097 0.000 1.000 52 T CA -0.672 61.511 62.100 0.139 0.000 0.977 52 T CB 1.306 70.214 68.868 0.068 0.000 0.979 52 T HN 0.373 nan 8.240 nan 0.000 0.446 53 L N 3.366 124.694 121.223 0.176 0.000 2.257 53 L HA 0.313 4.654 4.340 0.001 0.000 0.290 53 L C 1.686 178.619 176.870 0.106 0.000 1.044 53 L CA -0.569 54.363 54.840 0.154 0.000 0.810 53 L CB 0.965 43.139 42.059 0.191 0.000 1.193 53 L HN 0.880 nan 8.230 nan 0.000 0.425 54 T N -2.024 112.580 114.554 0.083 0.000 3.129 54 T HA -0.022 4.328 4.350 0.001 0.000 0.251 54 T C 0.436 175.192 174.700 0.093 0.000 1.117 54 T CA 0.335 62.485 62.100 0.082 0.000 1.034 54 T CB -0.315 68.588 68.868 0.058 0.000 0.968 54 T HN 0.612 nan 8.240 nan 0.000 0.526 55 H N 0.487 119.555 119.070 -0.003 0.000 3.162 55 H HA 0.456 5.013 4.556 0.002 0.000 0.309 55 H C -1.112 174.187 175.328 -0.048 0.000 1.156 55 H CA -0.533 55.488 56.048 -0.045 0.000 1.586 55 H CB 0.600 30.348 29.762 -0.023 0.000 1.740 55 H HN 0.038 nan 8.280 nan 0.000 0.525 56 E N 2.426 122.560 120.200 -0.109 0.000 2.460 56 E HA 0.379 4.730 4.350 0.001 0.000 0.277 56 E C -0.971 175.329 176.600 -0.499 0.000 1.010 56 E CA -0.903 55.447 56.400 -0.083 0.000 0.838 56 E CB 2.174 31.893 29.700 0.032 0.000 1.448 56 E HN 0.588 nan 8.360 nan 0.000 0.462 57 H N 0.286 119.325 119.070 -0.052 0.000 2.996 57 H HA 0.299 4.856 4.556 0.001 0.000 0.368 57 H C 0.795 176.069 175.328 -0.091 0.000 1.185 57 H CA -0.525 55.453 56.048 -0.116 0.000 1.160 57 H CB 1.744 31.375 29.762 -0.219 0.000 1.820 57 H HN 0.263 nan 8.280 nan 0.000 0.547 58 I N 0.376 121.014 120.570 0.113 0.000 2.400 58 I HA -0.053 4.117 4.170 0.001 0.000 0.248 58 I C 1.150 177.339 176.117 0.119 0.000 1.109 58 I CA 1.055 62.486 61.300 0.217 0.000 1.425 58 I CB 0.030 38.134 38.000 0.174 0.000 1.094 58 I HN 0.339 nan 8.210 nan 0.000 0.425 59 C N 0.662 119.964 119.300 0.004 0.000 2.701 59 C HA 0.726 5.187 4.460 0.001 0.000 0.336 59 C C 0.315 175.201 174.990 -0.173 0.000 1.123 59 C CA -0.615 58.345 59.018 -0.097 0.000 1.326 59 C CB 0.632 28.263 27.740 -0.182 0.000 1.833 59 C HN 0.511 nan 8.230 nan 0.000 0.473 60 G N 3.895 112.536 108.800 -0.265 0.000 2.475 60 G HA2 0.533 4.494 3.960 0.001 0.000 0.322 60 G HA3 0.533 4.494 3.960 0.001 0.000 0.322 60 G C -0.085 174.739 174.900 -0.127 0.000 1.044 60 G CA 0.306 45.142 45.100 -0.439 0.000 1.047 60 G HN 0.998 nan 8.290 nan 0.000 0.436 61 S N 1.271 116.867 115.700 -0.173 0.000 3.923 61 S HA 0.843 5.314 4.470 0.001 0.000 0.280 61 S C -0.092 174.410 174.600 -0.162 0.000 1.070 61 S CA -0.365 57.774 58.200 -0.101 0.000 1.300 61 S CB 1.205 64.447 63.200 0.069 0.000 1.322 61 S HN 0.537 nan 8.310 nan 0.000 0.762 62 S N 0.437 116.076 115.700 -0.102 0.000 2.569 62 S HA 0.769 5.240 4.470 0.001 0.000 0.280 62 S C -0.771 173.805 174.600 -0.041 0.000 1.111 62 S CA -0.273 57.883 58.200 -0.073 0.000 0.887 62 S CB 1.470 64.629 63.200 -0.068 0.000 1.095 62 S HN 1.043 nan 8.310 nan 0.000 0.476 63 A N 0.709 123.414 122.820 -0.192 0.000 2.567 63 A HA 0.466 4.787 4.320 0.001 0.000 0.240 63 A C 1.568 179.106 177.584 -0.075 0.000 1.053 63 A CA 0.724 52.562 52.037 -0.332 0.000 0.755 63 A CB -1.263 17.233 19.000 -0.840 0.000 0.978 63 A HN 2.071 nan 8.150 nan 0.000 0.507 64 G N 1.504 110.294 108.800 -0.016 0.000 2.220 64 G HA2 -0.392 3.569 3.960 0.001 0.000 0.269 64 G HA3 -0.392 3.569 3.960 0.001 0.000 0.269 64 G C 0.868 175.847 174.900 0.132 0.000 0.977 64 G CA 1.136 46.274 45.100 0.063 0.000 0.634 64 G HN 1.209 nan 8.290 nan 0.000 0.539 65 F N 0.673 120.648 119.950 0.042 0.000 2.075 65 F HA 0.083 4.611 4.527 0.001 0.000 0.297 65 F C 2.507 178.429 175.800 0.202 0.000 1.113 65 F CA 2.334 60.401 58.000 0.112 0.000 1.218 65 F CB -0.298 38.739 39.000 0.062 0.000 0.984 65 F HN 0.233 nan 8.300 nan 0.000 0.472 66 L N 0.910 122.351 121.223 0.364 0.000 2.079 66 L HA -0.188 4.153 4.340 0.001 0.000 0.210 66 L C 2.320 179.285 176.870 0.158 0.000 1.081 66 L CA 1.795 56.818 54.840 0.304 0.000 0.752 66 L CB -0.696 41.443 42.059 0.133 0.000 0.896 66 L HN 0.071 nan 8.230 nan 0.000 0.433 67 R N -0.772 119.788 120.500 0.101 0.000 2.153 67 R HA 0.085 4.426 4.340 0.001 0.000 0.218 67 R C 2.037 178.363 176.300 0.044 0.000 1.072 67 R CA 0.985 57.126 56.100 0.069 0.000 0.990 67 R CB -0.380 29.955 30.300 0.058 0.000 0.889 67 R HN 0.510 nan 8.270 nan 0.000 0.452 68 A N -0.510 122.314 122.820 0.007 0.000 2.081 68 A HA -0.052 4.269 4.320 0.001 0.000 0.214 68 A C 0.538 178.110 177.584 -0.021 0.000 1.158 68 A CA 0.313 52.330 52.037 -0.033 0.000 0.724 68 A CB 0.101 19.061 19.000 -0.067 0.000 0.826 68 A HN 0.419 nan 8.150 nan 0.000 0.463 69 W N 0.871 121.978 121.300 -0.321 0.000 1.485 69 W HA 0.368 5.028 4.660 0.001 0.000 0.305 69 W C -2.609 173.853 176.519 -0.095 0.000 0.879 69 W CA -2.305 54.854 57.345 -0.310 0.000 1.822 69 W CB 0.905 29.946 29.460 -0.698 0.000 1.990 69 W HN 0.122 nan 8.180 nan 0.000 0.441 70 P HA -0.209 nan 4.420 nan 0.000 0.219 70 P C 0.897 178.389 177.300 0.320 0.000 1.146 70 P CA 1.825 65.125 63.100 0.332 0.000 0.808 70 P CB 0.453 32.283 31.700 0.217 0.000 0.779 71 E N -0.979 119.377 120.200 0.260 0.000 2.333 71 E HA -0.133 4.218 4.350 0.001 0.000 0.198 71 E C 1.602 178.182 176.600 -0.032 0.000 1.007 71 E CA 0.516 57.017 56.400 0.168 0.000 0.845 71 E CB -1.211 28.630 29.700 0.235 0.000 0.766 71 E HN 0.275 nan 8.360 nan 0.000 0.507 72 F N -0.268 119.389 119.950 -0.488 0.000 2.250 72 F HA -0.119 4.409 4.527 0.001 0.000 0.301 72 F C 0.764 176.179 175.800 -0.641 0.000 1.077 72 F CA 1.051 58.533 58.000 -0.862 0.000 1.348 72 F CB 0.123 38.333 39.000 -1.317 0.000 1.040 72 F HN -0.043 nan 8.300 nan 0.000 0.509 73 F N -0.197 119.781 119.950 0.047 0.000 2.684 73 F HA 0.407 4.935 4.527 0.002 0.000 0.298 73 F C 1.501 177.297 175.800 -0.006 0.000 1.120 73 F CA 0.351 58.372 58.000 0.035 0.000 1.332 73 F CB 0.323 39.414 39.000 0.152 0.000 0.986 73 F HN 0.129 nan 8.300 nan 0.000 0.524 74 G N 0.799 109.639 108.800 0.067 0.000 4.365 74 G HA2 -0.246 3.714 3.960 0.001 0.000 0.214 74 G HA3 -0.246 3.714 3.960 0.001 0.000 0.214 74 G C 0.232 175.194 174.900 0.103 0.000 1.450 74 G CA 0.108 45.244 45.100 0.060 0.000 0.937 74 G HN 0.904 nan 8.290 nan 0.000 0.625 75 S N -1.259 114.530 115.700 0.149 0.000 2.595 75 S HA 0.661 5.132 4.470 0.001 0.000 0.270 75 S C 0.336 175.020 174.600 0.141 0.000 1.145 75 S CA 0.643 58.925 58.200 0.137 0.000 0.825 75 S CB 1.579 64.832 63.200 0.088 0.000 1.107 75 S HN 0.943 nan 8.310 nan 0.000 0.461 76 R N 1.057 121.626 120.500 0.115 0.000 2.096 76 R HA -0.049 4.292 4.340 0.001 0.000 0.235 76 R C 2.098 178.422 176.300 0.039 0.000 1.127 76 R CA 1.783 57.926 56.100 0.072 0.000 0.968 76 R CB -0.418 29.917 30.300 0.058 0.000 0.861 76 R HN 0.769 nan 8.270 nan 0.000 0.440 77 K N -0.117 120.308 120.400 0.041 0.000 2.057 77 K HA -0.110 4.211 4.320 0.001 0.000 0.207 77 K C 1.896 178.508 176.600 0.019 0.000 1.049 77 K CA 1.407 57.707 56.287 0.022 0.000 0.931 77 K CB -0.143 32.370 32.500 0.022 0.000 0.714 77 K HN 0.244 nan 8.250 nan 0.000 0.440 78 A N 1.196 124.039 122.820 0.039 0.000 1.933 78 A HA -0.142 4.178 4.320 0.001 0.000 0.218 78 A C 2.030 179.634 177.584 0.034 0.000 1.175 78 A CA 1.314 53.374 52.037 0.039 0.000 0.628 78 A CB -0.568 18.468 19.000 0.061 0.000 0.814 78 A HN 0.400 nan 8.150 nan 0.000 0.444 79 L N -0.252 120.998 121.223 0.045 0.000 2.056 79 L HA -0.026 4.315 4.340 0.001 0.000 0.207 79 L C 2.638 179.487 176.870 -0.034 0.000 1.078 79 L CA 2.187 57.038 54.840 0.019 0.000 0.749 79 L CB -0.778 41.256 42.059 -0.043 0.000 0.901 79 L HN 0.323 nan 8.230 nan 0.000 0.433 80 A N -0.738 122.058 122.820 -0.039 0.000 1.902 80 A HA -0.238 4.083 4.320 0.001 0.000 0.217 80 A C 2.185 179.711 177.584 -0.097 0.000 1.181 80 A CA 1.909 53.907 52.037 -0.064 0.000 0.623 80 A CB -0.671 18.305 19.000 -0.039 0.000 0.818 80 A HN 0.619 nan 8.150 nan 0.000 0.443 81 E N -0.592 119.567 120.200 -0.068 0.000 2.077 81 E HA -0.199 4.152 4.350 0.001 0.000 0.193 81 E C 2.109 178.638 176.600 -0.118 0.000 0.989 81 E CA 1.316 57.671 56.400 -0.076 0.000 0.800 81 E CB -0.122 29.555 29.700 -0.039 0.000 0.746 81 E HN 0.666 nan 8.360 nan 0.000 0.452 82 K N 0.785 121.120 120.400 -0.109 0.000 2.057 82 K HA -0.144 4.177 4.320 0.001 0.000 0.207 82 K C 2.126 178.460 176.600 -0.444 0.000 1.049 82 K CA 1.199 57.404 56.287 -0.137 0.000 0.931 82 K CB -0.091 32.410 32.500 0.002 0.000 0.714 82 K HN 0.075 nan 8.250 nan 0.000 0.440 83 A N 0.650 123.118 122.820 -0.585 0.000 1.902 83 A HA -0.093 4.228 4.320 0.001 0.000 0.217 83 A C 2.229 179.370 177.584 -0.739 0.000 1.181 83 A CA 1.517 52.838 52.037 -1.195 0.000 0.623 83 A CB -0.585 18.105 19.000 -0.517 0.000 0.818 83 A HN 0.178 nan 8.150 nan 0.000 0.443 84 V N 0.153 119.848 119.914 -0.364 0.000 2.343 84 V HA -0.282 3.839 4.120 0.001 0.000 0.247 84 V C 2.653 178.626 176.094 -0.201 0.000 1.051 84 V CA 2.252 64.420 62.300 -0.220 0.000 1.036 84 V CB -0.829 30.915 31.823 -0.133 0.000 0.654 84 V HN 0.531 nan 8.190 nan 0.000 0.451 85 R N 0.091 120.472 120.500 -0.198 0.000 2.083 85 R HA -0.132 4.209 4.340 0.001 0.000 0.237 85 R C 2.489 178.724 176.300 -0.110 0.000 1.137 85 R CA 1.624 57.651 56.100 -0.123 0.000 0.951 85 R CB -0.937 29.314 30.300 -0.082 0.000 0.851 85 R HN 0.593 nan 8.270 nan 0.000 0.434 86 G N 1.154 109.835 108.800 -0.198 0.000 2.421 86 G HA2 -0.217 3.744 3.960 0.001 0.000 0.216 86 G HA3 -0.217 3.744 3.960 0.001 0.000 0.216 86 G C 1.479 176.413 174.900 0.057 0.000 1.171 86 G CA 0.412 45.517 45.100 0.008 0.000 0.775 86 G HN 0.118 nan 8.290 nan 0.000 0.543 87 L N -0.290 120.895 121.223 -0.064 0.000 2.083 87 L HA -0.039 4.301 4.340 0.001 0.000 0.209 87 L C 3.164 180.029 176.870 -0.009 0.000 1.083 87 L CA 0.917 55.773 54.840 0.027 0.000 0.752 87 L CB -0.294 41.750 42.059 -0.025 0.000 0.899 87 L HN 0.150 nan 8.230 nan 0.000 0.433 88 R N -0.279 120.194 120.500 -0.045 0.000 2.096 88 R HA -0.128 4.213 4.340 0.001 0.000 0.235 88 R C 2.431 178.711 176.300 -0.033 0.000 1.127 88 R CA 1.191 57.266 56.100 -0.043 0.000 0.968 88 R CB -0.196 30.074 30.300 -0.050 0.000 0.861 88 R HN 0.348 nan 8.270 nan 0.000 0.440 89 R N 0.042 120.530 120.500 -0.020 0.000 2.092 89 R HA -0.020 4.321 4.340 0.001 0.000 0.231 89 R C 2.292 178.576 176.300 -0.027 0.000 1.119 89 R CA 1.258 57.347 56.100 -0.019 0.000 0.970 89 R CB -0.243 30.055 30.300 -0.002 0.000 0.864 89 R HN 0.178 nan 8.270 nan 0.000 0.440 90 A N 1.147 123.965 122.820 -0.003 0.000 1.930 90 A HA -0.165 4.156 4.320 0.001 0.000 0.217 90 A C 2.116 179.658 177.584 -0.069 0.000 1.175 90 A CA 1.221 53.245 52.037 -0.023 0.000 0.627 90 A CB -0.418 18.608 19.000 0.045 0.000 0.815 90 A HN 0.220 nan 8.150 nan 0.000 0.443 91 R N -0.260 120.212 120.500 -0.047 0.000 2.081 91 R HA -0.092 4.249 4.340 0.001 0.000 0.235 91 R C 2.228 178.479 176.300 -0.082 0.000 1.131 91 R CA 1.424 57.486 56.100 -0.064 0.000 0.960 91 R CB -0.408 29.862 30.300 -0.051 0.000 0.856 91 R HN 0.415 nan 8.270 nan 0.000 0.436 92 A N 0.613 123.391 122.820 -0.071 0.000 1.972 92 A HA -0.072 4.249 4.320 0.001 0.000 0.219 92 A C 2.163 179.688 177.584 -0.097 0.000 1.169 92 A CA 1.597 53.592 52.037 -0.071 0.000 0.635 92 A CB -0.559 18.408 19.000 -0.055 0.000 0.810 92 A HN 0.519 nan 8.150 nan 0.000 0.446 93 A N -2.087 120.658 122.820 -0.126 0.000 2.238 93 A HA 0.415 4.736 4.320 0.001 0.000 0.208 93 A C 1.709 179.125 177.584 -0.280 0.000 1.177 93 A CA 1.235 53.165 52.037 -0.178 0.000 0.804 93 A CB -0.788 18.104 19.000 -0.180 0.000 0.823 93 A HN 1.830 nan 8.150 nan 0.000 0.482 94 G N -2.024 106.622 108.800 -0.257 0.000 2.184 94 G HA2 -0.178 3.783 3.960 0.001 0.000 0.206 94 G HA3 -0.178 3.783 3.960 0.001 0.000 0.206 94 G C 0.143 174.800 174.900 -0.406 0.000 0.995 94 G CA -0.055 44.850 45.100 -0.325 0.000 0.651 94 G HN 0.690 nan 8.290 nan 0.000 0.511 95 V N 2.323 122.028 119.914 -0.349 0.000 2.508 95 V HA 0.352 4.473 4.120 0.001 0.000 0.281 95 V C 1.551 177.653 176.094 0.012 0.000 1.041 95 V CA 0.050 62.266 62.300 -0.139 0.000 1.016 95 V CB 1.302 33.099 31.823 -0.044 0.000 0.984 95 V HN 0.329 nan 8.190 nan 0.000 0.478 96 R N 2.293 122.872 120.500 0.132 0.000 2.225 96 R HA 0.237 4.577 4.340 0.001 0.000 0.194 96 R C 0.287 176.682 176.300 0.158 0.000 0.957 96 R CA 0.400 56.569 56.100 0.116 0.000 1.042 96 R CB 0.519 30.924 30.300 0.174 0.000 1.004 96 R HN 0.672 nan 8.270 nan 0.000 0.509 97 T N 1.607 116.285 114.554 0.206 0.000 2.916 97 T HA 0.596 4.947 4.350 0.001 0.000 0.305 97 T C -0.428 174.372 174.700 0.165 0.000 1.119 97 T CA -0.653 61.572 62.100 0.208 0.000 1.008 97 T CB 2.423 71.417 68.868 0.210 0.000 1.129 97 T HN 0.163 nan 8.240 nan 0.000 0.480 98 I N -1.287 119.363 120.570 0.133 0.000 2.828 98 I HA 0.894 5.065 4.170 0.001 0.000 0.302 98 I C -1.315 174.840 176.117 0.064 0.000 1.101 98 I CA -1.326 60.038 61.300 0.107 0.000 1.031 98 I CB 2.074 40.140 38.000 0.110 0.000 1.231 98 I HN 0.305 nan 8.210 nan 0.000 0.427 99 V N 3.509 123.441 119.914 0.030 0.000 2.328 99 V HA 0.263 4.384 4.120 0.001 0.000 0.278 99 V C -0.477 175.556 176.094 -0.102 0.000 1.021 99 V CA -0.225 62.063 62.300 -0.021 0.000 0.838 99 V CB 1.020 32.840 31.823 -0.005 0.000 0.999 99 V HN 0.743 nan 8.190 nan 0.000 0.447 100 D N 4.419 124.753 120.400 -0.111 0.000 2.393 100 D HA 0.108 4.749 4.640 0.001 0.000 0.232 100 D C 0.829 176.978 176.300 -0.252 0.000 1.192 100 D CA -0.267 53.620 54.000 -0.188 0.000 0.882 100 D CB 1.816 42.567 40.800 -0.081 0.000 1.038 100 D HN 0.465 nan 8.370 nan 0.000 0.499 101 V N 1.707 121.341 119.914 -0.466 0.000 3.544 101 V HA 0.198 4.319 4.120 0.001 0.000 0.304 101 V C 0.432 176.368 176.094 -0.262 0.000 1.256 101 V CA -0.493 61.556 62.300 -0.419 0.000 1.232 101 V CB -0.893 30.572 31.823 -0.597 0.000 1.065 101 V HN 0.271 nan 8.190 nan 0.000 0.423 102 S N 2.612 118.224 115.700 -0.146 0.000 2.481 102 S HA 0.421 4.892 4.470 0.001 0.000 0.276 102 S C 0.851 175.426 174.600 -0.042 0.000 1.247 102 S CA 0.204 58.384 58.200 -0.034 0.000 1.053 102 S CB 0.741 63.950 63.200 0.015 0.000 0.925 102 S HN 0.890 nan 8.310 nan 0.000 0.491 103 T N 0.721 115.258 114.554 -0.028 0.000 2.852 103 T HA 0.395 4.746 4.350 0.001 0.000 0.281 103 T C 1.009 175.808 174.700 0.165 0.000 0.993 103 T CA -0.777 61.380 62.100 0.095 0.000 0.933 103 T CB 0.101 69.073 68.868 0.174 0.000 1.187 103 T HN 0.365 nan 8.240 nan 0.000 0.559 104 F N 2.192 122.244 119.950 0.170 0.000 2.065 104 F HA -0.190 4.337 4.527 0.001 0.000 0.298 104 F C 2.146 178.033 175.800 0.144 0.000 1.112 104 F CA 2.465 60.587 58.000 0.204 0.000 1.212 104 F CB -0.582 38.620 39.000 0.338 0.000 0.975 104 F HN 0.745 nan 8.300 nan 0.000 0.476 105 D N 0.125 120.626 120.400 0.168 0.000 2.348 105 D HA -0.161 4.480 4.640 0.001 0.000 0.216 105 D C 1.855 178.143 176.300 -0.020 0.000 0.970 105 D CA 1.015 55.047 54.000 0.055 0.000 0.889 105 D CB -0.846 40.138 40.800 0.307 0.000 0.912 105 D HN 0.503 nan 8.370 nan 0.000 0.524 106 I N 0.062 120.543 120.570 -0.149 0.000 3.793 106 I HA 0.144 4.315 4.170 0.001 0.000 0.315 106 I C 1.414 177.390 176.117 -0.234 0.000 1.275 106 I CA 0.394 61.459 61.300 -0.392 0.000 1.214 106 I CB -0.077 37.568 38.000 -0.591 0.000 1.018 106 I HN 0.158 nan 8.210 nan 0.000 0.439 107 G N 2.394 111.092 108.800 -0.170 0.000 2.147 107 G HA2 -0.324 3.637 3.960 0.001 0.000 0.244 107 G HA3 -0.324 3.637 3.960 0.001 0.000 0.244 107 G C 0.521 175.383 174.900 -0.064 0.000 1.005 107 G CA -0.031 44.999 45.100 -0.116 0.000 0.713 107 G HN 0.495 nan 8.290 nan 0.000 0.515 108 R N 0.576 121.047 120.500 -0.048 0.000 2.494 108 R HA 0.161 4.502 4.340 0.001 0.000 0.291 108 R C -0.997 175.316 176.300 0.021 0.000 0.953 108 R CA 0.697 56.795 56.100 -0.005 0.000 1.098 108 R CB 0.264 30.584 30.300 0.032 0.000 0.911 108 R HN 0.135 nan 8.270 nan 0.000 0.407 109 D N 5.144 125.553 120.400 0.015 0.000 2.438 109 D HA 0.042 4.683 4.640 0.001 0.000 0.257 109 D C 0.803 177.120 176.300 0.029 0.000 1.148 109 D CA -0.365 53.652 54.000 0.028 0.000 0.902 109 D CB 1.556 42.364 40.800 0.013 0.000 1.062 109 D HN 0.377 nan 8.370 nan 0.000 0.518 110 V N 3.304 123.244 119.914 0.042 0.000 2.469 110 V HA -0.233 3.888 4.120 0.001 0.000 0.251 110 V C 1.989 178.101 176.094 0.030 0.000 1.064 110 V CA 2.189 64.510 62.300 0.036 0.000 1.066 110 V CB -0.070 31.779 31.823 0.043 0.000 0.667 110 V HN 0.498 nan 8.190 nan 0.000 0.461 111 S N -0.142 115.578 115.700 0.033 0.000 2.368 111 S HA -0.193 4.278 4.470 0.001 0.000 0.225 111 S C 1.754 176.365 174.600 0.017 0.000 1.030 111 S CA 1.781 59.997 58.200 0.027 0.000 0.999 111 S CB -0.430 62.788 63.200 0.030 0.000 0.844 111 S HN 0.524 nan 8.310 nan 0.000 0.459 112 L N 1.456 122.687 121.223 0.013 0.000 2.017 112 L HA -0.021 4.320 4.340 0.001 0.000 0.208 112 L C 1.899 178.773 176.870 0.006 0.000 1.073 112 L CA 1.503 56.344 54.840 0.003 0.000 0.745 112 L CB -0.730 41.323 42.059 -0.010 0.000 0.894 112 L HN 0.143 nan 8.230 nan 0.000 0.432 113 L N 0.041 121.273 121.223 0.015 0.000 2.012 113 L HA -0.182 4.159 4.340 0.001 0.000 0.210 113 L C 2.723 179.604 176.870 0.019 0.000 1.073 113 L CA 2.160 57.013 54.840 0.022 0.000 0.748 113 L CB -1.610 40.463 42.059 0.023 0.000 0.891 113 L HN 0.366 nan 8.230 nan 0.000 0.431 114 A N -1.035 121.795 122.820 0.018 0.000 1.908 114 A HA -0.275 4.046 4.320 0.001 0.000 0.218 114 A C 2.354 179.944 177.584 0.010 0.000 1.181 114 A CA 1.871 53.919 52.037 0.017 0.000 0.627 114 A CB -0.642 18.370 19.000 0.019 0.000 0.818 114 A HN 0.524 nan 8.150 nan 0.000 0.445 115 E N 0.119 120.322 120.200 0.005 0.000 2.051 115 E HA -0.171 4.180 4.350 0.001 0.000 0.192 115 E C 2.001 178.593 176.600 -0.013 0.000 0.991 115 E CA 2.148 58.546 56.400 -0.003 0.000 0.799 115 E CB -0.241 29.457 29.700 -0.004 0.000 0.748 115 E HN 0.557 nan 8.360 nan 0.000 0.449 116 V N -0.988 118.916 119.914 -0.016 0.000 2.548 116 V HA -0.135 3.985 4.120 0.001 0.000 0.249 116 V C 2.356 178.435 176.094 -0.025 0.000 1.055 116 V CA 1.901 64.181 62.300 -0.033 0.000 1.065 116 V CB -0.530 31.264 31.823 -0.049 0.000 0.681 116 V HN 0.240 nan 8.190 nan 0.000 0.462 117 S N 0.686 116.383 115.700 -0.005 0.000 2.356 117 S HA -0.226 4.245 4.470 0.001 0.000 0.223 117 S C 2.263 176.851 174.600 -0.020 0.000 1.032 117 S CA 1.977 60.175 58.200 -0.003 0.000 1.005 117 S CB -0.400 62.812 63.200 0.020 0.000 0.867 117 S HN 0.690 nan 8.310 nan 0.000 0.449 118 R N 0.519 121.011 120.500 -0.012 0.000 2.066 118 R HA 0.042 4.383 4.340 0.001 0.000 0.232 118 R C 2.703 178.987 176.300 -0.027 0.000 1.131 118 R CA 1.313 57.403 56.100 -0.016 0.000 0.955 118 R CB -0.615 29.681 30.300 -0.006 0.000 0.851 118 R HN 0.517 nan 8.270 nan 0.000 0.432 119 A N 0.870 123.673 122.820 -0.029 0.000 1.930 119 A HA -0.056 4.264 4.320 0.001 0.000 0.217 119 A C 2.185 179.742 177.584 -0.045 0.000 1.175 119 A CA 1.696 53.712 52.037 -0.036 0.000 0.627 119 A CB -0.393 18.583 19.000 -0.040 0.000 0.815 119 A HN 0.399 nan 8.150 nan 0.000 0.443 120 A N -1.730 121.059 122.820 -0.051 0.000 2.195 120 A HA 0.311 4.631 4.320 0.001 0.000 0.210 120 A C 0.771 178.318 177.584 -0.062 0.000 1.165 120 A CA 1.095 53.098 52.037 -0.057 0.000 0.806 120 A CB -0.158 18.806 19.000 -0.060 0.000 0.847 120 A HN 0.568 nan 8.150 nan 0.000 0.482 121 D N -1.127 119.232 120.400 -0.068 0.000 2.718 121 D HA -0.120 4.520 4.640 0.001 0.000 0.242 121 D C -0.856 175.355 176.300 -0.148 0.000 1.123 121 D CA 0.843 54.784 54.000 -0.099 0.000 0.690 121 D CB -1.596 39.153 40.800 -0.086 0.000 1.059 121 D HN 0.215 nan 8.370 nan 0.000 0.429 122 V N 2.774 122.609 119.914 -0.131 0.000 2.588 122 V HA 0.350 4.471 4.120 0.001 0.000 0.304 122 V C 0.380 176.408 176.094 -0.111 0.000 1.042 122 V CA -0.970 61.251 62.300 -0.132 0.000 0.877 122 V CB 1.970 33.775 31.823 -0.030 0.000 0.996 122 V HN 0.250 nan 8.190 nan 0.000 0.425 123 H N 4.689 123.776 119.070 0.029 0.000 2.764 123 H HA 0.465 5.021 4.556 0.001 0.000 0.341 123 H C -0.442 174.903 175.328 0.028 0.000 1.072 123 H CA 0.308 56.371 56.048 0.024 0.000 1.444 123 H CB 1.095 30.871 29.762 0.024 0.000 1.458 123 H HN 0.436 nan 8.280 nan 0.000 0.572 124 I N 3.149 123.807 120.570 0.146 0.000 2.447 124 I HA 0.119 4.289 4.170 0.001 0.000 0.287 124 I C -0.256 175.890 176.117 0.049 0.000 1.023 124 I CA -0.806 60.544 61.300 0.083 0.000 1.083 124 I CB 2.101 40.136 38.000 0.059 0.000 1.245 124 I HN 0.128 nan 8.210 nan 0.000 0.434 125 V N 5.569 125.497 119.914 0.022 0.000 2.407 125 V HA 0.562 4.683 4.120 0.001 0.000 0.278 125 V C 0.631 176.704 176.094 -0.035 0.000 1.037 125 V CA -0.374 61.917 62.300 -0.015 0.000 0.900 125 V CB 1.360 33.165 31.823 -0.030 0.000 0.983 125 V HN 0.841 nan 8.190 nan 0.000 0.459 126 A N 4.420 127.216 122.820 -0.040 0.000 2.279 126 A HA 0.930 5.251 4.320 0.001 0.000 0.303 126 A C 0.176 177.716 177.584 -0.073 0.000 1.108 126 A CA -0.032 51.977 52.037 -0.046 0.000 0.830 126 A CB 1.088 20.073 19.000 -0.026 0.000 1.106 126 A HN 1.234 nan 8.150 nan 0.000 0.493 127 A N -0.053 122.721 122.820 -0.076 0.000 2.386 127 A HA 0.834 5.155 4.320 0.001 0.000 0.308 127 A C 0.091 177.622 177.584 -0.089 0.000 1.128 127 A CA 0.018 51.994 52.037 -0.101 0.000 0.789 127 A CB 1.393 20.325 19.000 -0.113 0.000 1.325 127 A HN 1.172 nan 8.150 nan 0.000 0.437 128 T N -1.349 113.116 114.554 -0.148 0.000 2.768 128 T HA 0.791 5.142 4.350 0.001 0.000 0.268 128 T C 0.393 174.923 174.700 -0.284 0.000 0.969 128 T CA 0.918 62.908 62.100 -0.184 0.000 1.008 128 T CB 1.033 69.747 68.868 -0.256 0.000 1.371 128 T HN 2.694 nan 8.240 nan 0.000 0.587 129 G N -0.251 108.226 108.800 -0.538 0.000 2.466 129 G HA2 0.108 4.069 3.960 0.001 0.000 0.316 129 G HA3 0.108 4.069 3.960 0.001 0.000 0.316 129 G C -1.830 173.086 174.900 0.026 0.000 1.270 129 G CA -0.366 44.283 45.100 -0.752 0.000 0.982 129 G HN 0.906 nan 8.290 nan 0.000 0.506 130 L N -1.312 120.021 121.223 0.183 0.000 2.482 130 L HA 0.613 4.954 4.340 0.001 0.000 0.263 130 L C -0.001 177.099 176.870 0.383 0.000 0.957 130 L CA -0.726 54.358 54.840 0.407 0.000 0.836 130 L CB 2.205 44.585 42.059 0.536 0.000 1.324 130 L HN 0.847 nan 8.230 nan 0.000 0.406 131 W N 2.699 124.084 121.300 0.141 0.000 1.945 131 W HA 0.325 4.986 4.660 0.001 0.000 0.606 131 W C 0.889 177.471 176.519 0.105 0.000 1.803 131 W CA -0.107 57.262 57.345 0.039 0.000 1.990 131 W CB 0.291 29.663 29.460 -0.145 0.000 2.848 131 W HN 0.364 nan 8.180 nan 0.000 0.771 132 F N 0.798 120.481 119.950 -0.444 0.000 2.645 132 F HA 0.293 4.821 4.527 0.002 0.000 0.300 132 F C 0.268 175.890 175.800 -0.296 0.000 1.115 132 F CA -0.340 57.379 58.000 -0.468 0.000 1.355 132 F CB -0.589 38.006 39.000 -0.674 0.000 1.026 132 F HN 0.059 nan 8.300 nan 0.000 0.536 133 D N 1.918 122.294 120.400 -0.040 0.000 2.891 133 D HA 0.244 4.885 4.640 0.001 0.000 0.332 133 D C -2.754 173.657 176.300 0.186 0.000 1.369 133 D CA -2.118 51.938 54.000 0.093 0.000 0.827 133 D CB 0.434 41.306 40.800 0.121 0.000 1.141 133 D HN 0.044 nan 8.370 nan 0.000 0.464 134 P HA 0.217 nan 4.420 nan 0.000 0.271 134 P C -2.575 174.794 177.300 0.114 0.000 1.216 134 P CA -1.006 62.238 63.100 0.239 0.000 0.776 134 P CB 0.769 32.638 31.700 0.282 0.000 0.881 135 P HA 0.225 nan 4.420 nan 0.000 0.279 135 P C 1.291 178.582 177.300 -0.016 0.000 1.276 135 P CA -0.534 62.609 63.100 0.072 0.000 0.801 135 P CB 1.081 32.859 31.700 0.131 0.000 1.127 136 L N -0.050 121.154 121.223 -0.033 0.000 2.043 136 L HA -0.222 4.119 4.340 0.001 0.000 0.212 136 L C 2.505 179.317 176.870 -0.096 0.000 1.075 136 L CA 1.913 56.706 54.840 -0.080 0.000 0.752 136 L CB -0.984 41.046 42.059 -0.048 0.000 0.891 136 L HN 0.373 nan 8.230 nan 0.000 0.432 137 S N -1.034 114.634 115.700 -0.052 0.000 2.440 137 S HA -0.123 4.347 4.470 0.001 0.000 0.238 137 S C 1.868 176.394 174.600 -0.123 0.000 1.010 137 S CA 1.121 59.277 58.200 -0.073 0.000 0.972 137 S CB -0.040 63.131 63.200 -0.048 0.000 0.774 137 S HN 0.307 nan 8.310 nan 0.000 0.501 138 M N 0.744 120.271 119.600 -0.122 0.000 2.556 138 M HA 0.146 4.627 4.480 0.001 0.000 0.264 138 M C 1.913 178.047 176.300 -0.276 0.000 1.163 138 M CA 0.823 56.050 55.300 -0.120 0.000 1.186 138 M CB -0.848 31.759 32.600 0.013 0.000 1.321 138 M HN 0.247 nan 8.290 nan 0.000 0.485 139 R N 0.590 120.740 120.500 -0.585 0.000 2.193 139 R HA -0.033 4.308 4.340 0.001 0.000 0.229 139 R C 1.644 177.537 176.300 -0.679 0.000 1.110 139 R CA 0.940 56.293 56.100 -1.245 0.000 0.988 139 R CB -0.572 29.221 30.300 -0.844 0.000 0.871 139 R HN 0.345 nan 8.270 nan 0.000 0.458 140 L N 0.748 121.790 121.223 -0.301 0.000 2.592 140 L HA 0.139 4.480 4.340 0.001 0.000 0.227 140 L C 0.576 177.430 176.870 -0.027 0.000 1.127 140 L CA -0.142 54.622 54.840 -0.127 0.000 0.884 140 L CB -0.085 41.919 42.059 -0.092 0.000 1.065 140 L HN 0.017 nan 8.230 nan 0.000 0.457 141 R N 0.804 121.318 120.500 0.025 0.000 2.560 141 R HA 0.272 4.612 4.340 0.001 0.000 0.270 141 R C 0.494 176.877 176.300 0.139 0.000 1.074 141 R CA -0.056 56.088 56.100 0.073 0.000 1.140 141 R CB 1.109 31.445 30.300 0.059 0.000 1.073 141 R HN 0.078 nan 8.270 nan 0.000 0.527 142 S N -0.721 115.020 115.700 0.068 0.000 2.669 142 S HA 0.086 4.556 4.470 0.001 0.000 0.270 142 S C 1.256 175.872 174.600 0.026 0.000 1.225 142 S CA -0.745 57.489 58.200 0.056 0.000 0.991 142 S CB 1.193 64.409 63.200 0.027 0.000 0.987 142 S HN 0.401 nan 8.310 nan 0.000 0.552 143 V N 1.004 120.925 119.914 0.010 0.000 2.392 143 V HA -0.167 3.954 4.120 0.001 0.000 0.249 143 V C 2.203 178.277 176.094 -0.034 0.000 1.059 143 V CA 2.481 64.769 62.300 -0.021 0.000 1.051 143 V CB -1.172 30.647 31.823 -0.007 0.000 0.658 143 V HN 0.926 nan 8.190 nan 0.000 0.455 144 E N 0.184 120.375 120.200 -0.015 0.000 2.072 144 E HA -0.189 4.162 4.350 0.001 0.000 0.191 144 E C 2.162 178.744 176.600 -0.030 0.000 0.985 144 E CA 1.767 58.158 56.400 -0.015 0.000 0.801 144 E CB -0.246 29.454 29.700 -0.001 0.000 0.750 144 E HN 0.740 nan 8.360 nan 0.000 0.452 145 E N 0.405 120.589 120.200 -0.027 0.000 2.051 145 E HA -0.151 4.200 4.350 0.001 0.000 0.192 145 E C 2.136 178.688 176.600 -0.079 0.000 0.991 145 E CA 0.849 57.230 56.400 -0.032 0.000 0.799 145 E CB -0.180 29.506 29.700 -0.023 0.000 0.748 145 E HN 0.200 nan 8.360 nan 0.000 0.449 146 L N 0.841 121.978 121.223 -0.142 0.000 2.079 146 L HA -0.208 4.133 4.340 0.001 0.000 0.210 146 L C 2.564 179.087 176.870 -0.577 0.000 1.081 146 L CA 1.254 55.869 54.840 -0.375 0.000 0.752 146 L CB -0.751 41.061 42.059 -0.412 0.000 0.896 146 L HN 0.208 nan 8.230 nan 0.000 0.433 147 T N -1.211 113.168 114.554 -0.292 0.000 2.720 147 T HA -0.196 4.154 4.350 0.001 0.000 0.268 147 T C 1.934 176.587 174.700 -0.079 0.000 1.037 147 T CA 1.064 63.071 62.100 -0.155 0.000 1.144 147 T CB -0.124 68.723 68.868 -0.035 0.000 0.864 147 T HN 0.301 nan 8.240 nan 0.000 0.444 148 Q N 0.149 119.924 119.800 -0.041 0.000 2.124 148 Q HA -0.006 4.335 4.340 0.001 0.000 0.202 148 Q C 2.031 178.075 176.000 0.073 0.000 0.977 148 Q CA 1.174 56.995 55.803 0.031 0.000 0.850 148 Q CB -0.643 28.124 28.738 0.048 0.000 0.901 148 Q HN 0.644 nan 8.270 nan 0.000 0.429 149 F N 0.332 120.211 119.950 -0.117 0.000 2.146 149 F HA -0.225 4.302 4.527 0.001 0.000 0.298 149 F C 1.699 177.568 175.800 0.115 0.000 1.096 149 F CA 0.920 58.889 58.000 -0.052 0.000 1.275 149 F CB -0.035 38.877 39.000 -0.147 0.000 1.008 149 F HN -0.075 nan 8.300 nan 0.000 0.480 150 F N 0.888 120.730 119.950 -0.180 0.000 2.134 150 F HA -0.161 4.366 4.527 0.001 0.000 0.299 150 F C 2.216 177.871 175.800 -0.241 0.000 1.097 150 F CA 0.925 58.756 58.000 -0.281 0.000 1.264 150 F CB -1.540 37.407 39.000 -0.088 0.000 1.001 150 F HN 0.013 nan 8.300 nan 0.000 0.479 151 L N -0.406 120.840 121.223 0.037 0.000 2.083 151 L HA -0.203 4.138 4.340 0.001 0.000 0.209 151 L C 2.731 179.525 176.870 -0.126 0.000 1.083 151 L CA 1.292 56.101 54.840 -0.051 0.000 0.752 151 L CB -0.593 41.453 42.059 -0.020 0.000 0.899 151 L HN 0.072 nan 8.230 nan 0.000 0.433 152 R N 0.680 121.160 120.500 -0.034 0.000 2.080 152 R HA -0.206 4.135 4.340 0.001 0.000 0.236 152 R C 2.044 178.313 176.300 -0.051 0.000 1.137 152 R CA 1.927 58.073 56.100 0.076 0.000 0.943 152 R CB -0.197 30.175 30.300 0.119 0.000 0.846 152 R HN 0.435 nan 8.270 nan 0.000 0.431 153 E N -0.029 120.062 120.200 -0.181 0.000 2.153 153 E HA -0.174 4.177 4.350 0.001 0.000 0.194 153 E C 2.068 178.583 176.600 -0.142 0.000 0.988 153 E CA 1.285 57.583 56.400 -0.171 0.000 0.811 153 E CB -0.039 29.487 29.700 -0.290 0.000 0.746 153 E HN 0.486 nan 8.360 nan 0.000 0.466 154 I N 0.674 121.141 120.570 -0.172 0.000 2.400 154 I HA -0.207 3.964 4.170 0.001 0.000 0.248 154 I C 2.353 178.341 176.117 -0.216 0.000 1.109 154 I CA 0.939 62.136 61.300 -0.172 0.000 1.425 154 I CB 0.018 37.920 38.000 -0.162 0.000 1.094 154 I HN 0.008 nan 8.210 nan 0.000 0.425 155 Q N -0.609 118.978 119.800 -0.356 0.000 2.165 155 Q HA -0.026 4.315 4.340 0.001 0.000 0.197 155 Q C 1.788 177.453 176.000 -0.560 0.000 0.952 155 Q CA 1.233 56.697 55.803 -0.566 0.000 0.848 155 Q CB 0.100 28.274 28.738 -0.940 0.000 0.931 155 Q HN 0.531 nan 8.270 nan 0.000 0.470 156 Y N -0.399 119.886 120.300 -0.024 0.000 2.396 156 Y HA 0.352 4.903 4.550 0.001 0.000 0.292 156 Y C 1.067 176.960 175.900 -0.011 0.000 1.128 156 Y CA 0.115 58.207 58.100 -0.013 0.000 1.194 156 Y CB 0.972 39.429 38.460 -0.005 0.000 1.124 156 Y HN 0.103 nan 8.280 nan 0.000 0.543 157 G N 0.310 109.169 108.800 0.099 0.000 2.317 157 G HA2 0.095 4.056 3.960 0.001 0.000 0.445 157 G HA3 0.095 4.056 3.960 0.001 0.000 0.445 157 G C -1.550 173.385 174.900 0.057 0.000 1.486 157 G CA -1.186 43.949 45.100 0.059 0.000 0.991 157 G HN 0.017 nan 8.290 nan 0.000 0.660 158 I N 2.152 122.749 120.570 0.044 0.000 2.416 158 I HA 0.326 4.497 4.170 0.001 0.000 0.288 158 I C 1.134 177.309 176.117 0.097 0.000 1.051 158 I CA 0.381 61.721 61.300 0.066 0.000 1.375 158 I CB 0.740 38.775 38.000 0.059 0.000 1.407 158 I HN 0.954 nan 8.210 nan 0.000 0.516 159 E N 3.565 123.845 120.200 0.134 0.000 3.374 159 E HA -0.318 4.032 4.350 0.001 0.000 0.319 159 E C -0.044 176.615 176.600 0.098 0.000 1.492 159 E CA 1.609 58.087 56.400 0.130 0.000 1.899 159 E CB -0.465 29.312 29.700 0.127 0.000 1.894 159 E HN 0.928 nan 8.360 nan 0.000 0.484 160 D N 0.162 120.611 120.400 0.081 0.000 2.463 160 D HA 0.041 4.681 4.640 0.001 0.000 0.224 160 D C 1.001 177.334 176.300 0.055 0.000 1.174 160 D CA 0.890 54.928 54.000 0.063 0.000 0.829 160 D CB -0.170 40.662 40.800 0.053 0.000 0.993 160 D HN 0.417 nan 8.370 nan 0.000 0.497 161 T N -4.405 110.183 114.554 0.058 0.000 3.067 161 T HA 0.295 4.646 4.350 0.001 0.000 0.257 161 T C 1.852 176.578 174.700 0.043 0.000 1.105 161 T CA 0.646 62.774 62.100 0.047 0.000 1.104 161 T CB -0.167 68.730 68.868 0.047 0.000 0.925 161 T HN 0.331 nan 8.240 nan 0.000 0.498 162 G N 1.483 110.313 108.800 0.051 0.000 2.184 162 G HA2 -0.230 3.731 3.960 0.001 0.000 0.264 162 G HA3 -0.230 3.731 3.960 0.001 0.000 0.264 162 G C 0.087 175.007 174.900 0.033 0.000 0.975 162 G CA 0.177 45.305 45.100 0.047 0.000 0.642 162 G HN 0.663 nan 8.290 nan 0.000 0.536 163 I N 1.735 122.322 120.570 0.029 0.000 2.436 163 I HA 0.250 4.421 4.170 0.001 0.000 0.289 163 I C 1.001 177.119 176.117 0.002 0.000 1.083 163 I CA -0.306 61.003 61.300 0.016 0.000 1.372 163 I CB 0.506 38.518 38.000 0.020 0.000 1.408 163 I HN 0.075 nan 8.210 nan 0.000 0.516 164 R N 5.321 125.810 120.500 -0.017 0.000 2.297 164 R HA 0.592 4.932 4.340 0.001 0.000 0.308 164 R C -0.031 176.232 176.300 -0.061 0.000 1.029 164 R CA -0.622 55.451 56.100 -0.046 0.000 0.929 164 R CB 1.230 31.493 30.300 -0.061 0.000 1.046 164 R HN 0.697 nan 8.270 nan 0.000 0.461 165 A N 1.551 124.322 122.820 -0.081 0.000 2.445 165 A HA 0.339 4.660 4.320 0.001 0.000 0.242 165 A C 1.066 178.583 177.584 -0.111 0.000 1.075 165 A CA 0.029 52.010 52.037 -0.094 0.000 0.777 165 A CB 0.428 19.358 19.000 -0.116 0.000 1.013 165 A HN 0.937 nan 8.150 nan 0.000 0.493 166 G N 0.390 109.123 108.800 -0.111 0.000 3.324 166 G HA2 0.458 4.419 3.960 0.001 0.000 0.251 166 G HA3 0.458 4.419 3.960 0.001 0.000 0.251 166 G C -0.003 174.795 174.900 -0.169 0.000 1.072 166 G CA 0.334 45.355 45.100 -0.131 0.000 0.787 166 G HN 0.730 nan 8.290 nan 0.000 0.537 167 I N -0.451 120.017 120.570 -0.169 0.000 2.947 167 I HA 0.482 4.653 4.170 0.001 0.000 0.301 167 I C -1.738 174.266 176.117 -0.188 0.000 1.453 167 I CA -1.302 59.880 61.300 -0.195 0.000 0.984 167 I CB 2.646 40.548 38.000 -0.163 0.000 1.333 167 I HN -0.148 nan 8.210 nan 0.000 0.475 168 I N 4.784 125.235 120.570 -0.199 0.000 2.389 168 I HA 0.380 4.551 4.170 0.001 0.000 0.288 168 I C -0.789 175.231 176.117 -0.163 0.000 0.999 168 I CA -0.608 60.549 61.300 -0.239 0.000 1.129 168 I CB 1.589 39.429 38.000 -0.266 0.000 1.288 168 I HN 0.302 nan 8.210 nan 0.000 0.444 169 K N 7.215 127.525 120.400 -0.149 0.000 2.185 169 K HA 0.714 5.034 4.320 0.001 0.000 0.269 169 K C -0.911 175.709 176.600 0.033 0.000 0.987 169 K CA -0.501 55.768 56.287 -0.031 0.000 0.865 169 K CB 1.331 33.815 32.500 -0.026 0.000 1.090 169 K HN 0.458 nan 8.250 nan 0.000 0.450 170 V N -0.105 119.895 119.914 0.144 0.000 3.158 170 V HA 1.028 5.149 4.120 0.001 0.000 0.311 170 V C -1.052 175.216 176.094 0.290 0.000 1.181 170 V CA -0.690 61.734 62.300 0.207 0.000 1.054 170 V CB 1.437 33.392 31.823 0.221 0.000 1.085 170 V HN 0.939 nan 8.190 nan 0.000 0.446 171 A N 0.871 123.852 122.820 0.268 0.000 2.605 171 A HA 0.966 5.286 4.320 0.001 0.000 0.294 171 A C -0.444 177.251 177.584 0.186 0.000 1.062 171 A CA 0.013 52.230 52.037 0.300 0.000 0.682 171 A CB 1.575 20.774 19.000 0.333 0.000 1.278 171 A HN 2.288 nan 8.150 nan 0.000 0.410 172 T N -1.719 112.942 114.554 0.178 0.000 2.864 172 T HA 0.798 5.149 4.350 0.001 0.000 0.299 172 T C -0.475 174.256 174.700 0.051 0.000 1.166 172 T CA 0.005 62.144 62.100 0.065 0.000 1.007 172 T CB 1.718 70.605 68.868 0.031 0.000 1.219 172 T HN 1.849 nan 8.240 nan 0.000 0.506 173 T N -1.379 113.129 114.554 -0.076 0.000 3.428 173 T HA 0.682 5.033 4.350 0.001 0.000 0.301 173 T C 0.681 175.325 174.700 -0.093 0.000 1.323 173 T CA 0.072 62.102 62.100 -0.116 0.000 1.647 173 T CB -0.182 68.460 68.868 -0.378 0.000 0.871 173 T HN 2.150 nan 8.240 nan 0.000 0.627 174 G N 1.869 110.641 108.800 -0.047 0.000 2.500 174 G HA2 -0.089 3.872 3.960 0.001 0.000 0.209 174 G HA3 -0.089 3.872 3.960 0.001 0.000 0.209 174 G C -0.549 174.323 174.900 -0.046 0.000 1.283 174 G CA -0.644 44.424 45.100 -0.053 0.000 0.960 174 G HN 0.773 nan 8.290 nan 0.000 0.528 175 K N 0.733 121.106 120.400 -0.046 0.000 2.550 175 K HA 0.417 4.738 4.320 0.001 0.000 0.280 175 K C 0.978 177.557 176.600 -0.036 0.000 0.987 175 K CA 0.442 56.705 56.287 -0.040 0.000 1.048 175 K CB 0.073 32.552 32.500 -0.035 0.000 0.879 175 K HN 1.514 nan 8.250 nan 0.000 0.491 176 A N 3.568 126.366 122.820 -0.037 0.000 2.445 176 A HA 0.127 4.448 4.320 0.001 0.000 0.242 176 A C 0.368 177.945 177.584 -0.012 0.000 1.075 176 A CA 0.065 52.085 52.037 -0.029 0.000 0.777 176 A CB 0.080 19.052 19.000 -0.047 0.000 1.013 176 A HN 0.876 nan 8.150 nan 0.000 0.493 177 T N -0.030 114.531 114.554 0.011 0.000 2.816 177 T HA 0.406 4.757 4.350 0.001 0.000 0.282 177 T C -1.905 172.826 174.700 0.051 0.000 0.993 177 T CA -1.233 60.891 62.100 0.039 0.000 0.994 177 T CB 0.570 69.486 68.868 0.079 0.000 1.025 177 T HN 0.331 nan 8.240 nan 0.000 0.529 178 P HA -0.050 nan 4.420 nan 0.000 0.215 178 P C 1.238 178.604 177.300 0.109 0.000 1.153 178 P CA 0.742 63.885 63.100 0.071 0.000 0.853 178 P CB -0.153 31.593 31.700 0.077 0.000 0.788 179 F N 0.653 120.616 119.950 0.022 0.000 2.134 179 F HA -0.172 4.355 4.527 0.001 0.000 0.299 179 F C 2.179 178.013 175.800 0.057 0.000 1.097 179 F CA 1.619 59.642 58.000 0.038 0.000 1.264 179 F CB -0.855 38.170 39.000 0.042 0.000 1.001 179 F HN -0.105 nan 8.300 nan 0.000 0.479 180 Q N -0.031 119.751 119.800 -0.029 0.000 2.170 180 Q HA -0.205 4.136 4.340 0.001 0.000 0.203 180 Q C 2.092 178.011 176.000 -0.135 0.000 0.976 180 Q CA 1.797 57.537 55.803 -0.106 0.000 0.858 180 Q CB -0.268 28.475 28.738 0.008 0.000 0.907 180 Q HN 0.565 nan 8.270 nan 0.000 0.433 181 E N 0.445 120.588 120.200 -0.095 0.000 2.110 181 E HA -0.168 4.183 4.350 0.001 0.000 0.193 181 E C 2.021 178.560 176.600 -0.102 0.000 0.988 181 E CA 0.796 57.142 56.400 -0.090 0.000 0.804 181 E CB -0.056 29.612 29.700 -0.053 0.000 0.745 181 E HN 0.370 nan 8.360 nan 0.000 0.458 182 L N 0.529 121.662 121.223 -0.150 0.000 2.046 182 L HA -0.171 4.170 4.340 0.001 0.000 0.208 182 L C 2.530 179.303 176.870 -0.161 0.000 1.077 182 L CA 0.756 55.505 54.840 -0.151 0.000 0.747 182 L CB -0.583 41.374 42.059 -0.171 0.000 0.896 182 L HN 0.047 nan 8.230 nan 0.000 0.432 183 V N 0.041 119.781 119.914 -0.290 0.000 2.295 183 V HA -0.288 3.832 4.120 0.001 0.000 0.246 183 V C 2.471 178.653 176.094 0.146 0.000 1.049 183 V CA 1.589 63.850 62.300 -0.065 0.000 1.024 183 V CB -0.388 31.363 31.823 -0.119 0.000 0.648 183 V HN 0.251 nan 8.190 nan 0.000 0.447 184 L N -0.349 120.909 121.223 0.058 0.000 2.083 184 L HA -0.170 4.171 4.340 0.001 0.000 0.209 184 L C 2.402 179.405 176.870 0.221 0.000 1.083 184 L CA 1.901 56.821 54.840 0.134 0.000 0.752 184 L CB -0.724 41.236 42.059 -0.167 0.000 0.899 184 L HN 0.268 nan 8.230 nan 0.000 0.433 185 K N -0.902 119.560 120.400 0.104 0.000 2.057 185 K HA -0.097 4.224 4.320 0.001 0.000 0.206 185 K C 2.166 178.858 176.600 0.153 0.000 1.050 185 K CA 1.300 57.657 56.287 0.116 0.000 0.935 185 K CB -0.353 32.176 32.500 0.048 0.000 0.715 185 K HN 0.316 nan 8.250 nan 0.000 0.439 186 A N 1.543 124.455 122.820 0.154 0.000 1.930 186 A HA -0.074 4.247 4.320 0.001 0.000 0.217 186 A C 2.371 180.171 177.584 0.361 0.000 1.175 186 A CA 1.680 53.822 52.037 0.174 0.000 0.627 186 A CB -0.617 18.391 19.000 0.014 0.000 0.815 186 A HN 0.321 nan 8.150 nan 0.000 0.443 187 A N 0.035 123.121 122.820 0.444 0.000 1.902 187 A HA 0.131 4.452 4.320 0.001 0.000 0.217 187 A C 2.511 180.201 177.584 0.176 0.000 1.181 187 A CA 2.143 54.360 52.037 0.299 0.000 0.623 187 A CB -1.043 18.088 19.000 0.218 0.000 0.818 187 A HN 1.051 nan 8.150 nan 0.000 0.443 188 A N -0.208 122.747 122.820 0.226 0.000 1.902 188 A HA -0.179 4.141 4.320 0.001 0.000 0.217 188 A C 2.249 179.888 177.584 0.093 0.000 1.181 188 A CA 1.612 53.737 52.037 0.147 0.000 0.623 188 A CB -0.468 18.683 19.000 0.252 0.000 0.818 188 A HN 0.564 nan 8.150 nan 0.000 0.443 189 R N -0.601 119.967 120.500 0.113 0.000 2.081 189 R HA -0.048 4.293 4.340 0.001 0.000 0.235 189 R C 2.455 178.791 176.300 0.060 0.000 1.131 189 R CA 1.185 57.330 56.100 0.075 0.000 0.960 189 R CB -0.435 29.908 30.300 0.071 0.000 0.856 189 R HN 0.511 nan 8.270 nan 0.000 0.436 190 A N 0.241 123.120 122.820 0.098 0.000 1.930 190 A HA -0.153 4.167 4.320 0.001 0.000 0.217 190 A C 2.171 179.755 177.584 0.000 0.000 1.175 190 A CA 1.682 53.761 52.037 0.070 0.000 0.627 190 A CB -0.516 18.578 19.000 0.158 0.000 0.815 190 A HN 0.297 nan 8.150 nan 0.000 0.443 191 S N -0.438 115.252 115.700 -0.017 0.000 2.368 191 S HA -0.085 4.386 4.470 0.001 0.000 0.225 191 S C 1.931 176.494 174.600 -0.062 0.000 1.030 191 S CA 1.372 59.528 58.200 -0.074 0.000 0.999 191 S CB -0.470 62.663 63.200 -0.112 0.000 0.844 191 S HN 0.490 nan 8.310 nan 0.000 0.459 192 L N 0.875 122.078 121.223 -0.032 0.000 2.083 192 L HA -0.060 4.281 4.340 0.001 0.000 0.209 192 L C 2.824 179.676 176.870 -0.029 0.000 1.083 192 L CA 1.255 56.079 54.840 -0.027 0.000 0.752 192 L CB -0.522 41.535 42.059 -0.004 0.000 0.899 192 L HN 0.432 nan 8.230 nan 0.000 0.433 193 A N -0.683 122.122 122.820 -0.024 0.000 2.016 193 A HA -0.114 4.207 4.320 0.001 0.000 0.217 193 A C 2.273 179.828 177.584 -0.049 0.000 1.162 193 A CA 1.717 53.736 52.037 -0.029 0.000 0.662 193 A CB -0.465 18.524 19.000 -0.019 0.000 0.812 193 A HN 0.486 nan 8.150 nan 0.000 0.450 194 T N -6.122 108.393 114.554 -0.065 0.000 2.990 194 T HA 0.427 4.778 4.350 0.001 0.000 0.249 194 T C 1.484 176.128 174.700 -0.094 0.000 1.039 194 T CA 1.131 63.179 62.100 -0.086 0.000 1.036 194 T CB 0.416 69.221 68.868 -0.105 0.000 0.994 194 T HN 1.597 nan 8.240 nan 0.000 0.489 195 G N 1.098 109.840 108.800 -0.097 0.000 2.199 195 G HA2 -0.238 3.723 3.960 0.001 0.000 0.254 195 G HA3 -0.238 3.723 3.960 0.001 0.000 0.254 195 G C 0.108 174.916 174.900 -0.153 0.000 0.982 195 G CA -0.023 45.010 45.100 -0.111 0.000 0.632 195 G HN 0.724 nan 8.290 nan 0.000 0.529 196 V N 3.560 123.375 119.914 -0.165 0.000 2.715 196 V HA 0.404 4.525 4.120 0.001 0.000 0.299 196 V C -0.779 175.152 176.094 -0.271 0.000 1.054 196 V CA -0.642 61.528 62.300 -0.217 0.000 1.077 196 V CB 1.220 32.927 31.823 -0.192 0.000 0.972 196 V HN 0.290 nan 8.190 nan 0.000 0.484 197 P HA 0.324 nan 4.420 nan 0.000 0.276 197 P C -1.015 176.080 177.300 -0.342 0.000 1.261 197 P CA -0.287 62.515 63.100 -0.497 0.000 0.800 197 P CB 1.087 32.072 31.700 -1.192 0.000 1.066 198 V N -0.170 119.605 119.914 -0.231 0.000 2.628 198 V HA 0.556 4.677 4.120 0.001 0.000 0.306 198 V C 0.361 176.493 176.094 0.063 0.000 1.045 198 V CA -0.246 61.967 62.300 -0.145 0.000 0.905 198 V CB 1.685 33.322 31.823 -0.310 0.000 0.997 198 V HN 0.653 nan 8.190 nan 0.000 0.436 199 T N 2.520 117.126 114.554 0.087 0.000 2.893 199 T HA 0.734 5.085 4.350 0.001 0.000 0.293 199 T C -0.448 174.332 174.700 0.134 0.000 1.027 199 T CA -0.095 62.100 62.100 0.158 0.000 0.988 199 T CB 1.638 70.617 68.868 0.185 0.000 1.043 199 T HN 1.074 nan 8.240 nan 0.000 0.461 200 T N 0.887 115.520 114.554 0.131 0.000 2.916 200 T HA 0.578 4.929 4.350 0.001 0.000 0.292 200 T C -0.907 173.853 174.700 0.100 0.000 1.064 200 T CA -0.758 61.447 62.100 0.174 0.000 1.011 200 T CB 1.403 70.397 68.868 0.211 0.000 1.152 200 T HN 0.769 nan 8.240 nan 0.000 0.510 201 H N 0.576 119.722 119.070 0.127 0.000 2.467 201 H HA 0.660 5.217 4.556 0.001 0.000 0.326 201 H C 0.026 175.452 175.328 0.163 0.000 1.094 201 H CA -0.176 55.956 56.048 0.140 0.000 1.253 201 H CB 1.202 31.280 29.762 0.526 0.000 1.439 201 H HN 1.043 nan 8.280 nan 0.000 0.479 202 T N 1.570 116.146 114.554 0.035 0.000 2.887 202 T HA 0.666 5.017 4.350 0.001 0.000 0.292 202 T C -0.550 174.196 174.700 0.078 0.000 1.087 202 T CA -0.811 61.365 62.100 0.126 0.000 1.009 202 T CB 1.441 70.358 68.868 0.081 0.000 1.203 202 T HN 0.697 nan 8.240 nan 0.000 0.518 203 A N 0.613 123.481 122.820 0.079 0.000 2.838 203 A HA 0.743 5.064 4.320 0.001 0.000 0.337 203 A C 1.558 179.131 177.584 -0.018 0.000 1.383 203 A CA -0.220 51.835 52.037 0.030 0.000 0.985 203 A CB -0.688 18.313 19.000 0.003 0.000 1.157 203 A HN 1.325 nan 8.150 nan 0.000 0.497 204 A N 1.488 124.313 122.820 0.007 0.000 1.948 204 A HA -0.162 4.159 4.320 0.001 0.000 0.220 204 A C 2.508 179.976 177.584 -0.193 0.000 1.177 204 A CA 2.488 54.523 52.037 -0.004 0.000 0.636 204 A CB -0.792 18.276 19.000 0.113 0.000 0.815 204 A HN 1.415 nan 8.150 nan 0.000 0.449 205 S N 0.078 115.708 115.700 -0.117 0.000 2.359 205 S HA -0.291 4.180 4.470 0.001 0.000 0.224 205 S C 1.729 176.209 174.600 -0.201 0.000 1.035 205 S CA 1.570 59.689 58.200 -0.134 0.000 1.018 205 S CB -0.725 62.432 63.200 -0.071 0.000 0.876 205 S HN 0.737 nan 8.310 nan 0.000 0.448 206 Q N 0.732 120.429 119.800 -0.172 0.000 2.482 206 Q HA 0.228 4.569 4.340 0.001 0.000 0.209 206 Q C -0.105 175.745 176.000 -0.250 0.000 0.961 206 Q CA 0.019 55.721 55.803 -0.168 0.000 0.945 206 Q CB -0.179 28.499 28.738 -0.101 0.000 1.012 206 Q HN 0.513 nan 8.270 nan 0.000 0.515 207 R N 0.149 120.366 120.500 -0.473 0.000 3.651 207 R HA -0.197 4.144 4.340 0.001 0.000 0.292 207 R C -0.239 175.976 176.300 -0.141 0.000 1.161 207 R CA 0.532 56.211 56.100 -0.701 0.000 0.787 207 R CB -1.796 28.171 30.300 -0.555 0.000 1.249 207 R HN 0.306 nan 8.270 nan 0.000 0.476 208 D N 0.100 120.465 120.400 -0.058 0.000 2.172 208 D HA -0.155 4.486 4.640 0.001 0.000 0.196 208 D C 2.041 178.376 176.300 0.058 0.000 0.999 208 D CA 1.890 55.898 54.000 0.013 0.000 0.856 208 D CB -0.378 40.444 40.800 0.036 0.000 0.934 208 D HN 0.617 nan 8.370 nan 0.000 0.453 209 G N 0.539 109.451 108.800 0.186 0.000 2.469 209 G HA2 -0.308 3.653 3.960 0.001 0.000 0.220 209 G HA3 -0.308 3.653 3.960 0.001 0.000 0.220 209 G C 1.475 176.357 174.900 -0.030 0.000 1.136 209 G CA 0.843 45.989 45.100 0.076 0.000 0.759 209 G HN 0.345 nan 8.290 nan 0.000 0.562 210 E N -0.359 119.892 120.200 0.085 0.000 2.072 210 E HA -0.143 4.208 4.350 0.001 0.000 0.191 210 E C 2.428 178.999 176.600 -0.049 0.000 0.985 210 E CA 0.948 57.351 56.400 0.004 0.000 0.801 210 E CB -0.169 29.570 29.700 0.066 0.000 0.750 210 E HN 0.593 nan 8.360 nan 0.000 0.452 211 Q N 0.906 120.677 119.800 -0.049 0.000 2.119 211 Q HA -0.214 4.127 4.340 0.001 0.000 0.201 211 Q C 2.114 178.014 176.000 -0.166 0.000 0.972 211 Q CA 1.239 56.991 55.803 -0.084 0.000 0.847 211 Q CB 0.140 28.835 28.738 -0.073 0.000 0.903 211 Q HN 0.318 nan 8.270 nan 0.000 0.433 212 Q N -0.193 119.488 119.800 -0.199 0.000 2.050 212 Q HA -0.171 4.170 4.340 0.001 0.000 0.202 212 Q C 2.122 177.843 176.000 -0.465 0.000 0.980 212 Q CA 1.456 57.015 55.803 -0.406 0.000 0.840 212 Q CB -0.232 28.374 28.738 -0.219 0.000 0.898 212 Q HN 0.474 nan 8.270 nan 0.000 0.424 213 A N 1.180 123.879 122.820 -0.203 0.000 1.940 213 A HA -0.177 4.143 4.320 0.001 0.000 0.219 213 A C 2.306 179.933 177.584 0.071 0.000 1.176 213 A CA 1.694 53.710 52.037 -0.034 0.000 0.631 213 A CB -0.828 17.990 19.000 -0.303 0.000 0.814 213 A HN 0.418 nan 8.150 nan 0.000 0.446 214 A N -0.013 122.787 122.820 -0.034 0.000 1.877 214 A HA -0.103 4.218 4.320 0.001 0.000 0.216 214 A C 2.127 179.700 177.584 -0.018 0.000 1.186 214 A CA 1.603 53.638 52.037 -0.003 0.000 0.620 214 A CB -0.631 18.353 19.000 -0.027 0.000 0.822 214 A HN 0.503 nan 8.150 nan 0.000 0.443 215 I N -1.552 118.938 120.570 -0.133 0.000 2.179 215 I HA -0.262 3.909 4.170 0.001 0.000 0.242 215 I C 2.358 178.457 176.117 -0.030 0.000 1.088 215 I CA 1.495 62.706 61.300 -0.148 0.000 1.357 215 I CB -0.481 37.351 38.000 -0.280 0.000 1.051 215 I HN 0.372 nan 8.210 nan 0.000 0.409 216 F N 1.011 121.001 119.950 0.066 0.000 2.126 216 F HA -0.231 4.297 4.527 0.001 0.000 0.299 216 F C 2.556 178.408 175.800 0.086 0.000 1.096 216 F CA 1.167 59.219 58.000 0.088 0.000 1.255 216 F CB -0.404 38.681 39.000 0.141 0.000 0.997 216 F HN 0.073 nan 8.300 nan 0.000 0.479 217 E N 0.008 120.383 120.200 0.293 0.000 2.204 217 E HA -0.172 4.178 4.350 0.001 0.000 0.194 217 E C 2.177 178.849 176.600 0.120 0.000 0.989 217 E CA 1.308 57.820 56.400 0.188 0.000 0.824 217 E CB -0.215 29.588 29.700 0.173 0.000 0.756 217 E HN 0.352 nan 8.360 nan 0.000 0.477 218 S N 0.652 116.411 115.700 0.099 0.000 2.474 218 S HA -0.080 4.390 4.470 0.001 0.000 0.235 218 S C 1.537 176.179 174.600 0.070 0.000 0.997 218 S CA 0.677 58.916 58.200 0.065 0.000 0.949 218 S CB 0.108 63.332 63.200 0.040 0.000 0.766 218 S HN 0.103 nan 8.310 nan 0.000 0.517 219 E N 0.493 120.754 120.200 0.101 0.000 2.481 219 E HA 0.239 4.590 4.350 0.001 0.000 0.198 219 E C 1.268 177.917 176.600 0.081 0.000 1.027 219 E CA 0.502 56.958 56.400 0.095 0.000 0.900 219 E CB 0.364 30.142 29.700 0.129 0.000 0.993 219 E HN 0.687 nan 8.360 nan 0.000 0.482 220 G N 1.810 110.659 108.800 0.081 0.000 2.141 220 G HA2 -0.274 3.687 3.960 0.001 0.000 0.242 220 G HA3 -0.274 3.687 3.960 0.001 0.000 0.242 220 G C 0.079 175.008 174.900 0.048 0.000 0.982 220 G CA 0.358 45.491 45.100 0.056 0.000 0.662 220 G HN 0.236 nan 8.290 nan 0.000 0.527 221 L N 2.270 123.538 121.223 0.076 0.000 2.380 221 L HA 0.662 5.003 4.340 0.001 0.000 0.273 221 L C 0.769 177.642 176.870 0.004 0.000 1.138 221 L CA -0.100 54.760 54.840 0.033 0.000 0.832 221 L CB 1.048 43.131 42.059 0.040 0.000 1.124 221 L HN 0.181 nan 8.230 nan 0.000 0.454 222 S N 6.672 122.343 115.700 -0.048 0.000 2.548 222 S HA 0.222 4.693 4.470 0.001 0.000 0.277 222 S C -1.734 172.767 174.600 -0.165 0.000 1.315 222 S CA -0.727 57.418 58.200 -0.092 0.000 1.050 222 S CB 0.808 63.956 63.200 -0.087 0.000 0.918 222 S HN 0.587 nan 8.310 nan 0.000 0.497 223 P HA -0.110 nan 4.420 nan 0.000 0.219 223 P C 1.480 178.526 177.300 -0.424 0.000 1.146 223 P CA 0.954 63.602 63.100 -0.753 0.000 0.808 223 P CB -0.122 30.707 31.700 -1.452 0.000 0.779 224 S N -1.261 114.296 115.700 -0.238 0.000 2.507 224 S HA -0.060 4.411 4.470 0.001 0.000 0.235 224 S C 1.689 176.300 174.600 0.017 0.000 0.988 224 S CA 0.617 58.761 58.200 -0.092 0.000 0.944 224 S CB -0.680 62.479 63.200 -0.068 0.000 0.762 224 S HN 0.040 nan 8.310 nan 0.000 0.526 225 R N 0.731 121.213 120.500 -0.031 0.000 2.317 225 R HA 0.369 4.710 4.340 0.001 0.000 0.208 225 R C -0.502 175.838 176.300 0.067 0.000 0.914 225 R CA 0.089 56.172 56.100 -0.028 0.000 1.060 225 R CB 0.203 30.431 30.300 -0.121 0.000 1.015 225 R HN 0.349 nan 8.270 nan 0.000 0.498 226 V N 0.426 120.432 119.914 0.153 0.000 2.656 226 V HA 0.240 4.361 4.120 0.001 0.000 0.307 226 V C -0.402 175.837 176.094 0.241 0.000 1.051 226 V CA -1.213 61.203 62.300 0.194 0.000 0.893 226 V CB 2.499 34.401 31.823 0.132 0.000 0.999 226 V HN 0.110 nan 8.190 nan 0.000 0.426 227 C N 6.896 126.295 119.300 0.164 0.000 2.298 227 C HA 0.597 5.058 4.460 0.001 0.000 0.323 227 C C -0.199 174.787 174.990 -0.007 0.000 1.284 227 C CA -0.637 58.326 59.018 -0.091 0.000 1.577 227 C CB -0.462 27.047 27.740 -0.386 0.000 2.249 227 C HN 0.699 nan 8.230 nan 0.000 0.497 228 I N 6.690 127.234 120.570 -0.042 0.000 2.308 228 I HA 0.287 4.458 4.170 0.001 0.000 0.293 228 I C 1.233 177.284 176.117 -0.111 0.000 1.078 228 I CA 0.465 61.731 61.300 -0.056 0.000 1.292 228 I CB 0.032 37.956 38.000 -0.125 0.000 1.423 228 I HN 0.900 nan 8.210 nan 0.000 0.493 229 G N 4.753 113.466 108.800 -0.145 0.000 2.537 229 G HA2 0.261 4.222 3.960 0.001 0.000 0.273 229 G HA3 0.261 4.222 3.960 0.001 0.000 0.273 229 G C 0.305 174.976 174.900 -0.381 0.000 1.189 229 G CA -0.134 44.768 45.100 -0.330 0.000 0.881 229 G HN 0.794 nan 8.290 nan 0.000 0.535 230 H N -0.540 118.311 119.070 -0.365 0.000 2.861 230 H HA -0.164 4.393 4.556 0.001 0.000 0.289 230 H C 1.961 177.165 175.328 -0.206 0.000 1.176 230 H CA 0.487 56.234 56.048 -0.502 0.000 1.146 230 H CB -1.807 27.595 29.762 -0.600 0.000 1.330 230 H HN 0.375 nan 8.280 nan 0.000 0.379 231 S N 0.147 115.824 115.700 -0.038 0.000 2.442 231 S HA -0.109 4.361 4.470 0.001 0.000 0.236 231 S C 1.723 176.358 174.600 0.057 0.000 1.007 231 S CA 1.100 59.317 58.200 0.027 0.000 0.965 231 S CB 0.032 63.205 63.200 -0.045 0.000 0.773 231 S HN 0.725 nan 8.310 nan 0.000 0.504 232 D N 0.607 121.029 120.400 0.038 0.000 2.349 232 D HA -0.050 4.591 4.640 0.001 0.000 0.224 232 D C 0.309 176.662 176.300 0.088 0.000 1.029 232 D CA 0.321 54.363 54.000 0.069 0.000 0.879 232 D CB -0.246 40.602 40.800 0.080 0.000 0.906 232 D HN 0.133 nan 8.370 nan 0.000 0.528 233 D N 0.201 120.656 120.400 0.092 0.000 2.371 233 D HA -0.019 4.622 4.640 0.001 0.000 0.221 233 D C 0.376 176.716 176.300 0.066 0.000 0.986 233 D CA 0.756 54.812 54.000 0.092 0.000 0.899 233 D CB 0.305 41.164 40.800 0.098 0.000 0.902 233 D HN 0.197 nan 8.370 nan 0.000 0.530 234 T N -0.986 113.614 114.554 0.077 0.000 2.907 234 T HA 0.177 4.527 4.350 0.001 0.000 0.292 234 T C -0.212 174.533 174.700 0.076 0.000 1.043 234 T CA -0.817 61.321 62.100 0.064 0.000 1.003 234 T CB 1.514 70.421 68.868 0.065 0.000 1.084 234 T HN -0.265 nan 8.240 nan 0.000 0.483 235 D N 1.539 121.972 120.400 0.056 0.000 2.339 235 D HA 0.052 4.693 4.640 0.001 0.000 0.217 235 D C 0.018 176.359 176.300 0.067 0.000 1.050 235 D CA 0.029 54.063 54.000 0.057 0.000 0.856 235 D CB 0.283 41.106 40.800 0.039 0.000 0.922 235 D HN 0.540 nan 8.370 nan 0.000 0.518 236 D N 1.696 122.145 120.400 0.083 0.000 2.429 236 D HA -0.065 4.576 4.640 0.001 0.000 0.253 236 D C 1.289 177.668 176.300 0.132 0.000 1.294 236 D CA -0.167 53.893 54.000 0.100 0.000 1.063 236 D CB 0.355 41.213 40.800 0.097 0.000 1.096 236 D HN -0.024 nan 8.370 nan 0.000 0.516 237 L N 3.056 124.334 121.223 0.090 0.000 2.191 237 L HA -0.147 4.194 4.340 0.001 0.000 0.212 237 L C 2.023 178.940 176.870 0.078 0.000 1.103 237 L CA 1.422 56.310 54.840 0.080 0.000 0.769 237 L CB -0.305 41.794 42.059 0.066 0.000 0.908 237 L HN 0.237 nan 8.230 nan 0.000 0.438 238 S N -1.247 114.506 115.700 0.088 0.000 2.356 238 S HA -0.275 4.196 4.470 0.001 0.000 0.223 238 S C 1.801 176.462 174.600 0.102 0.000 1.032 238 S CA 1.668 59.917 58.200 0.083 0.000 1.005 238 S CB -0.749 62.495 63.200 0.074 0.000 0.867 238 S HN 0.698 nan 8.310 nan 0.000 0.449 239 Y N 2.423 122.717 120.300 -0.010 0.000 2.070 239 Y HA -0.213 4.338 4.550 0.001 0.000 0.280 239 Y C 2.011 177.887 175.900 -0.040 0.000 1.148 239 Y CA 1.516 59.602 58.100 -0.025 0.000 1.125 239 Y CB -0.428 38.017 38.460 -0.025 0.000 0.975 239 Y HN 0.113 nan 8.280 nan 0.000 0.492 240 L N -0.404 120.708 121.223 -0.185 0.000 1.990 240 L HA -0.287 4.053 4.340 0.001 0.000 0.213 240 L C 2.742 179.454 176.870 -0.262 0.000 1.072 240 L CA 2.169 56.825 54.840 -0.307 0.000 0.755 240 L CB -1.170 40.817 42.059 -0.120 0.000 0.889 240 L HN 0.328 nan 8.230 nan 0.000 0.432 241 T N -0.700 113.770 114.554 -0.141 0.000 2.833 241 T HA -0.117 4.234 4.350 0.001 0.000 0.269 241 T C 1.790 176.362 174.700 -0.214 0.000 1.054 241 T CA 1.271 63.276 62.100 -0.159 0.000 1.135 241 T CB 0.011 68.906 68.868 0.045 0.000 0.869 241 T HN 0.427 nan 8.240 nan 0.000 0.466 242 A N 0.631 123.377 122.820 -0.124 0.000 1.930 242 A HA 0.166 4.487 4.320 0.001 0.000 0.217 242 A C 2.301 179.818 177.584 -0.112 0.000 1.175 242 A CA 1.052 53.042 52.037 -0.078 0.000 0.627 242 A CB -0.621 18.369 19.000 -0.017 0.000 0.815 242 A HN 0.568 nan 8.150 nan 0.000 0.443 243 L N -0.866 120.242 121.223 -0.191 0.000 2.072 243 L HA -0.130 4.211 4.340 0.001 0.000 0.205 243 L C 3.105 179.922 176.870 -0.090 0.000 1.079 243 L CA 0.934 55.697 54.840 -0.129 0.000 0.752 243 L CB -0.531 41.341 42.059 -0.311 0.000 0.906 243 L HN 0.415 nan 8.230 nan 0.000 0.436 244 A N 0.215 122.839 122.820 -0.327 0.000 1.908 244 A HA -0.241 4.080 4.320 0.001 0.000 0.218 244 A C 2.501 179.775 177.584 -0.516 0.000 1.181 244 A CA 1.880 53.601 52.037 -0.526 0.000 0.627 244 A CB -0.755 17.641 19.000 -1.006 0.000 0.818 244 A HN 0.419 nan 8.150 nan 0.000 0.445 245 A N -0.316 122.219 122.820 -0.476 0.000 1.972 245 A HA -0.151 4.169 4.320 0.001 0.000 0.219 245 A C 2.133 179.700 177.584 -0.028 0.000 1.169 245 A CA 1.516 53.477 52.037 -0.126 0.000 0.635 245 A CB -0.389 18.609 19.000 -0.004 0.000 0.810 245 A HN 0.571 nan 8.150 nan 0.000 0.446 246 R N -1.644 118.844 120.500 -0.019 0.000 2.313 246 R HA 0.220 4.561 4.340 0.001 0.000 0.199 246 R C 1.312 177.533 176.300 -0.132 0.000 0.958 246 R CA 0.598 56.702 56.100 0.006 0.000 1.047 246 R CB -0.003 30.384 30.300 0.145 0.000 0.955 246 R HN 0.670 nan 8.270 nan 0.000 0.481 247 G N -0.801 107.913 108.800 -0.144 0.000 2.201 247 G HA2 -0.266 3.695 3.960 0.001 0.000 0.212 247 G HA3 -0.266 3.695 3.960 0.001 0.000 0.212 247 G C -0.156 174.564 174.900 -0.301 0.000 0.994 247 G CA -0.623 44.345 45.100 -0.220 0.000 0.644 247 G HN 0.219 nan 8.290 nan 0.000 0.508 248 Y N 0.088 120.337 120.300 -0.086 0.000 2.379 248 Y HA 0.552 5.103 4.550 0.001 0.000 0.337 248 Y C 1.179 177.000 175.900 -0.132 0.000 1.238 248 Y CA -0.351 57.695 58.100 -0.091 0.000 1.405 248 Y CB 0.523 38.924 38.460 -0.098 0.000 1.310 248 Y HN 0.131 nan 8.280 nan 0.000 0.569 249 L N 3.607 124.849 121.223 0.032 0.000 2.334 249 L HA 0.267 4.608 4.340 0.001 0.000 0.277 249 L C -0.649 176.146 176.870 -0.126 0.000 1.075 249 L CA -0.116 54.649 54.840 -0.125 0.000 0.804 249 L CB 0.562 42.419 42.059 -0.337 0.000 1.174 249 L HN 0.383 nan 8.230 nan 0.000 0.438 250 I N 2.511 122.992 120.570 -0.149 0.000 2.330 250 I HA 0.312 4.483 4.170 0.001 0.000 0.289 250 I C 0.687 176.716 176.117 -0.147 0.000 1.001 250 I CA -0.344 60.869 61.300 -0.145 0.000 1.193 250 I CB 1.086 39.006 38.000 -0.134 0.000 1.345 250 I HN 0.614 nan 8.210 nan 0.000 0.461 251 G N 7.448 116.157 108.800 -0.152 0.000 2.393 251 G HA2 0.508 4.469 3.960 0.001 0.000 0.311 251 G HA3 0.508 4.469 3.960 0.001 0.000 0.311 251 G C -0.130 174.706 174.900 -0.107 0.000 1.067 251 G CA -0.411 44.602 45.100 -0.144 0.000 1.000 251 G HN 0.555 nan 8.290 nan 0.000 0.422 252 L N 3.299 124.485 121.223 -0.062 0.000 2.407 252 L HA 0.261 4.602 4.340 0.001 0.000 0.261 252 L C 0.008 176.882 176.870 0.006 0.000 1.108 252 L CA -0.580 54.252 54.840 -0.014 0.000 0.995 252 L CB 0.681 42.753 42.059 0.023 0.000 1.349 252 L HN 0.667 nan 8.230 nan 0.000 0.423 253 D N -2.588 117.784 120.400 -0.046 0.000 2.479 253 D HA -0.003 4.638 4.640 0.001 0.000 0.218 253 D C 0.935 177.244 176.300 0.015 0.000 1.177 253 D CA -0.043 53.942 54.000 -0.025 0.000 0.830 253 D CB 0.085 40.807 40.800 -0.130 0.000 1.014 253 D HN 0.405 nan 8.370 nan 0.000 0.503 254 H N 0.267 119.280 119.070 -0.095 0.000 2.581 254 H HA 0.199 4.756 4.556 0.001 0.000 0.275 254 H C 1.211 176.561 175.328 0.036 0.000 1.126 254 H CA -0.495 55.377 56.048 -0.292 0.000 1.097 254 H CB 0.706 30.221 29.762 -0.412 0.000 1.626 254 H HN -0.026 nan 8.280 nan 0.000 0.565 255 I N 1.954 122.677 120.570 0.256 0.000 2.103 255 I HA -0.234 3.937 4.170 0.001 0.000 0.241 255 I C -0.660 175.627 176.117 0.282 0.000 1.036 255 I CA 1.483 62.964 61.300 0.301 0.000 1.300 255 I CB -2.252 35.955 38.000 0.345 0.000 1.010 255 I HN 0.306 nan 8.210 nan 0.000 0.406 256 P HA -0.062 nan 4.420 nan 0.000 0.249 256 P C 0.195 177.464 177.300 -0.051 0.000 1.229 256 P CA 0.586 63.475 63.100 -0.350 0.000 0.788 256 P CB -0.513 30.563 31.700 -1.041 0.000 1.072 257 H N 0.484 119.548 119.070 -0.010 0.000 2.944 257 H HA 0.356 4.912 4.556 0.001 0.000 0.278 257 H C 0.093 175.413 175.328 -0.013 0.000 1.083 257 H CA 0.190 56.222 56.048 -0.026 0.000 1.479 257 H CB 0.516 30.160 29.762 -0.197 0.000 1.486 257 H HN 0.044 nan 8.280 nan 0.000 0.493 258 S N 1.956 117.692 115.700 0.060 0.000 2.548 258 S HA 0.432 4.903 4.470 0.001 0.000 0.278 258 S C -0.198 174.421 174.600 0.033 0.000 1.150 258 S CA -0.310 57.924 58.200 0.057 0.000 0.907 258 S CB 1.241 64.490 63.200 0.081 0.000 1.108 258 S HN 0.693 nan 8.310 nan 0.000 0.459 259 A N 4.512 127.351 122.820 0.031 0.000 2.500 259 A HA 0.461 4.781 4.320 0.001 0.000 0.267 259 A C 0.382 177.983 177.584 0.028 0.000 1.290 259 A CA -0.299 51.754 52.037 0.027 0.000 0.928 259 A CB -0.434 18.581 19.000 0.026 0.000 1.066 259 A HN 0.780 nan 8.150 nan 0.000 0.516 260 I N 0.404 120.993 120.570 0.032 0.000 2.668 260 I HA 0.223 4.394 4.170 0.001 0.000 0.285 260 I C 1.534 177.669 176.117 0.030 0.000 1.168 260 I CA 1.607 62.925 61.300 0.030 0.000 1.424 260 I CB 0.562 38.581 38.000 0.032 0.000 1.377 260 I HN 0.505 nan 8.210 nan 0.000 0.560 261 G N 5.338 114.153 108.800 0.025 0.000 2.194 261 G HA2 -0.234 3.727 3.960 0.001 0.000 0.236 261 G HA3 -0.234 3.727 3.960 0.001 0.000 0.236 261 G C 0.103 175.016 174.900 0.021 0.000 0.987 261 G CA -0.132 44.982 45.100 0.024 0.000 0.635 261 G HN 0.475 nan 8.290 nan 0.000 0.520 262 L N 0.122 121.358 121.223 0.021 0.000 3.366 262 L HA 0.499 4.840 4.340 0.001 0.000 0.304 262 L C 1.210 178.090 176.870 0.018 0.000 1.292 262 L CA -0.122 54.729 54.840 0.019 0.000 1.012 262 L CB 0.599 42.670 42.059 0.021 0.000 1.414 262 L HN 0.062 nan 8.230 nan 0.000 0.603 263 E N 1.125 121.335 120.200 0.016 0.000 2.284 263 E HA -0.263 4.087 4.350 0.001 0.000 0.200 263 E C 1.255 177.863 176.600 0.013 0.000 1.008 263 E CA 1.720 58.129 56.400 0.015 0.000 0.829 263 E CB -0.134 29.574 29.700 0.013 0.000 0.744 263 E HN 0.767 nan 8.360 nan 0.000 0.491 264 D N -0.757 119.649 120.400 0.011 0.000 2.355 264 D HA -0.098 4.543 4.640 0.001 0.000 0.218 264 D C 0.413 176.716 176.300 0.006 0.000 1.004 264 D CA 0.122 54.126 54.000 0.007 0.000 0.880 264 D CB 0.036 40.840 40.800 0.006 0.000 0.911 264 D HN -0.096 nan 8.370 nan 0.000 0.528 265 N N 0.411 119.117 118.700 0.010 0.000 2.546 265 N HA 0.302 5.043 4.740 0.001 0.000 0.238 265 N C 0.770 176.291 175.510 0.018 0.000 0.984 265 N CA -0.143 52.913 53.050 0.010 0.000 0.935 265 N CB 1.301 39.796 38.487 0.013 0.000 1.122 265 N HN 0.106 nan 8.380 nan 0.000 0.510 266 A N 2.937 125.764 122.820 0.011 0.000 1.883 266 A HA -0.189 4.131 4.320 0.001 0.000 0.217 266 A C 2.137 179.746 177.584 0.043 0.000 1.186 266 A CA 2.262 54.310 52.037 0.019 0.000 0.624 266 A CB -0.827 18.177 19.000 0.006 0.000 0.822 266 A HN 0.755 nan 8.150 nan 0.000 0.444 267 S N 0.251 115.970 115.700 0.031 0.000 2.368 267 S HA -0.005 4.466 4.470 0.001 0.000 0.225 267 S C 2.093 176.820 174.600 0.212 0.000 1.030 267 S CA 1.455 59.707 58.200 0.087 0.000 0.999 267 S CB -0.747 62.405 63.200 -0.080 0.000 0.844 267 S HN 0.939 nan 8.310 nan 0.000 0.459 268 A N 1.892 124.787 122.820 0.124 0.000 1.930 268 A HA 0.045 4.366 4.320 0.001 0.000 0.217 268 A C 2.437 180.064 177.584 0.072 0.000 1.175 268 A CA 1.675 53.776 52.037 0.107 0.000 0.627 268 A CB -1.094 17.941 19.000 0.059 0.000 0.815 268 A HN 0.580 nan 8.150 nan 0.000 0.443 269 S N 0.446 116.182 115.700 0.059 0.000 2.382 269 S HA -0.031 4.440 4.470 0.001 0.000 0.228 269 S C 2.264 176.892 174.600 0.046 0.000 1.027 269 S CA 1.111 59.337 58.200 0.043 0.000 0.991 269 S CB -0.506 62.715 63.200 0.033 0.000 0.823 269 S HN 0.790 nan 8.310 nan 0.000 0.469 270 A N 1.432 124.295 122.820 0.072 0.000 1.902 270 A HA -0.035 4.286 4.320 0.001 0.000 0.217 270 A C 2.167 179.783 177.584 0.053 0.000 1.181 270 A CA 1.459 53.542 52.037 0.077 0.000 0.623 270 A CB -0.646 18.431 19.000 0.128 0.000 0.818 270 A HN 0.418 nan 8.150 nan 0.000 0.443 271 L N -0.674 120.576 121.223 0.044 0.000 2.068 271 L HA 0.065 4.405 4.340 0.001 0.000 0.204 271 L C 2.123 178.966 176.870 -0.045 0.000 1.076 271 L CA 1.588 56.385 54.840 -0.071 0.000 0.753 271 L CB -0.259 41.650 42.059 -0.251 0.000 0.910 271 L HN 0.365 nan 8.230 nan 0.000 0.439 272 L N -0.695 120.521 121.223 -0.012 0.000 2.307 272 L HA 0.365 4.706 4.340 0.001 0.000 0.211 272 L C 1.132 178.011 176.870 0.014 0.000 1.099 272 L CA 0.257 55.097 54.840 0.001 0.000 0.816 272 L CB -0.927 41.129 42.059 -0.004 0.000 0.952 272 L HN 0.455 nan 8.230 nan 0.000 0.455 273 G N 1.261 110.071 108.800 0.016 0.000 2.756 273 G HA2 -0.233 3.728 3.960 0.001 0.000 0.678 273 G HA3 -0.233 3.728 3.960 0.001 0.000 0.678 273 G C -0.012 174.903 174.900 0.026 0.000 1.349 273 G CA -0.136 44.976 45.100 0.021 0.000 0.847 273 G HN 0.348 nan 8.290 nan 0.000 0.548 274 I N -2.576 118.008 120.570 0.023 0.000 4.009 274 I HA 0.511 4.681 4.170 0.001 0.000 0.331 274 I C 0.741 176.870 176.117 0.019 0.000 1.462 274 I CA -0.628 60.685 61.300 0.021 0.000 1.117 274 I CB 0.169 38.178 38.000 0.016 0.000 1.091 274 I HN 0.328 nan 8.210 nan 0.000 0.410 275 R N 1.910 122.425 120.500 0.024 0.000 2.457 275 R HA 0.455 4.796 4.340 0.001 0.000 0.284 275 R C 0.503 176.817 176.300 0.023 0.000 1.024 275 R CA -0.280 55.831 56.100 0.019 0.000 1.025 275 R CB 1.526 31.841 30.300 0.026 0.000 1.063 275 R HN 0.450 nan 8.270 nan 0.000 0.493 276 S N 2.332 118.024 115.700 -0.014 0.000 2.614 276 S HA 0.045 4.516 4.470 0.001 0.000 0.265 276 S C 1.322 175.909 174.600 -0.022 0.000 1.303 276 S CA -0.896 57.278 58.200 -0.045 0.000 1.000 276 S CB 0.500 63.598 63.200 -0.169 0.000 0.935 276 S HN 0.916 nan 8.310 nan 0.000 0.551 277 W N 1.119 122.407 121.300 -0.020 0.000 2.374 277 W HA -0.133 4.528 4.660 0.001 0.000 0.288 277 W C 1.033 177.497 176.519 -0.092 0.000 1.218 277 W CA 1.069 58.410 57.345 -0.005 0.000 1.245 277 W CB -1.105 28.397 29.460 0.069 0.000 1.126 277 W HN 0.659 nan 8.180 nan 0.000 0.545 278 Q N 1.188 120.397 119.800 -0.984 0.000 2.119 278 Q HA -0.099 4.242 4.340 0.001 0.000 0.201 278 Q C 2.372 178.154 176.000 -0.363 0.000 0.972 278 Q CA 3.059 58.207 55.803 -1.092 0.000 0.847 278 Q CB -0.877 27.185 28.738 -1.127 0.000 0.903 278 Q HN 0.129 nan 8.270 nan 0.000 0.433 279 T N 0.472 114.902 114.554 -0.206 0.000 2.708 279 T HA -0.149 4.202 4.350 0.001 0.000 0.266 279 T C 1.672 176.379 174.700 0.012 0.000 1.037 279 T CA 1.399 63.465 62.100 -0.056 0.000 1.146 279 T CB -0.131 68.714 68.868 -0.038 0.000 0.865 279 T HN 0.237 nan 8.240 nan 0.000 0.435 280 R N 1.004 121.525 120.500 0.034 0.000 2.073 280 R HA 0.043 4.384 4.340 0.001 0.000 0.234 280 R C 2.853 179.227 176.300 0.122 0.000 1.134 280 R CA 1.316 57.474 56.100 0.097 0.000 0.952 280 R CB -0.546 29.841 30.300 0.145 0.000 0.850 280 R HN 0.349 nan 8.270 nan 0.000 0.433 281 A N 1.274 124.174 122.820 0.134 0.000 1.978 281 A HA -0.133 4.188 4.320 0.001 0.000 0.220 281 A C 2.151 179.877 177.584 0.236 0.000 1.170 281 A CA 1.196 53.352 52.037 0.198 0.000 0.636 281 A CB -0.565 18.550 19.000 0.191 0.000 0.810 281 A HN 0.202 nan 8.150 nan 0.000 0.448 282 L N -0.622 120.726 121.223 0.208 0.000 2.265 282 L HA -0.162 4.178 4.340 0.001 0.000 0.215 282 L C 2.308 179.258 176.870 0.133 0.000 1.117 282 L CA 0.602 55.565 54.840 0.205 0.000 0.782 282 L CB -0.431 41.724 42.059 0.161 0.000 0.914 282 L HN 0.396 nan 8.230 nan 0.000 0.441 283 L N -0.586 120.704 121.223 0.113 0.000 2.131 283 L HA -0.226 4.114 4.340 0.001 0.000 0.210 283 L C 2.393 179.315 176.870 0.087 0.000 1.092 283 L CA 1.197 56.090 54.840 0.089 0.000 0.759 283 L CB -0.370 41.736 42.059 0.078 0.000 0.903 283 L HN 0.250 nan 8.230 nan 0.000 0.435 284 I N -0.020 120.614 120.570 0.105 0.000 2.179 284 I HA -0.332 3.839 4.170 0.001 0.000 0.242 284 I C 2.696 178.863 176.117 0.083 0.000 1.088 284 I CA 1.495 62.850 61.300 0.092 0.000 1.357 284 I CB -0.386 37.681 38.000 0.113 0.000 1.051 284 I HN 0.239 nan 8.210 nan 0.000 0.409 285 K N 1.532 121.989 120.400 0.096 0.000 2.097 285 K HA -0.178 4.143 4.320 0.001 0.000 0.206 285 K C 2.227 178.858 176.600 0.053 0.000 1.049 285 K CA 1.404 57.730 56.287 0.064 0.000 0.933 285 K CB -0.114 32.420 32.500 0.057 0.000 0.717 285 K HN 0.283 nan 8.250 nan 0.000 0.442 286 A N 1.676 124.534 122.820 0.064 0.000 1.865 286 A HA -0.166 4.154 4.320 0.001 0.000 0.217 286 A C 2.155 179.782 177.584 0.072 0.000 1.191 286 A CA 1.576 53.649 52.037 0.060 0.000 0.623 286 A CB -0.778 18.260 19.000 0.065 0.000 0.826 286 A HN 0.348 nan 8.150 nan 0.000 0.444 287 L N -0.746 120.529 121.223 0.086 0.000 2.083 287 L HA -0.186 4.154 4.340 0.001 0.000 0.209 287 L C 2.536 179.473 176.870 0.111 0.000 1.083 287 L CA 1.194 56.112 54.840 0.129 0.000 0.752 287 L CB -0.509 41.614 42.059 0.107 0.000 0.899 287 L HN 0.408 nan 8.230 nan 0.000 0.433 288 I N -0.175 120.432 120.570 0.062 0.000 2.179 288 I HA -0.306 3.865 4.170 0.001 0.000 0.242 288 I C 2.117 178.229 176.117 -0.008 0.000 1.088 288 I CA 1.274 62.589 61.300 0.026 0.000 1.357 288 I CB -0.356 37.656 38.000 0.020 0.000 1.051 288 I HN 0.265 nan 8.210 nan 0.000 0.409 289 D N 0.423 120.825 120.400 0.003 0.000 2.182 289 D HA -0.192 4.449 4.640 0.001 0.000 0.201 289 D C 2.055 178.330 176.300 -0.043 0.000 0.986 289 D CA 1.050 55.041 54.000 -0.016 0.000 0.847 289 D CB -0.259 40.541 40.800 -0.000 0.000 0.942 289 D HN 0.316 nan 8.370 nan 0.000 0.467 290 Q N -0.662 119.120 119.800 -0.029 0.000 2.482 290 Q HA 0.125 4.466 4.340 0.001 0.000 0.209 290 Q C 1.271 177.055 176.000 -0.360 0.000 0.961 290 Q CA 0.713 56.466 55.803 -0.083 0.000 0.945 290 Q CB 0.563 29.358 28.738 0.094 0.000 1.012 290 Q HN 0.406 nan 8.270 nan 0.000 0.515 291 G N 0.181 108.791 108.800 -0.316 0.000 2.144 291 G HA2 -0.262 3.699 3.960 0.001 0.000 0.218 291 G HA3 -0.262 3.699 3.960 0.001 0.000 0.218 291 G C -0.093 174.511 174.900 -0.493 0.000 0.988 291 G CA -0.147 44.697 45.100 -0.427 0.000 0.659 291 G HN 0.346 nan 8.290 nan 0.000 0.522 292 Y N 0.821 121.112 120.300 -0.015 0.000 2.801 292 Y HA 0.393 4.944 4.550 0.001 0.000 0.318 292 Y C 2.363 178.247 175.900 -0.026 0.000 1.073 292 Y CA 0.089 58.176 58.100 -0.021 0.000 1.360 292 Y CB -0.425 38.022 38.460 -0.022 0.000 1.220 292 Y HN 0.470 nan 8.280 nan 0.000 0.536 293 M N -1.229 118.404 119.600 0.056 0.000 2.202 293 M HA -0.168 4.313 4.480 0.001 0.000 0.262 293 M C 1.165 177.479 176.300 0.023 0.000 1.063 293 M CA 1.876 57.194 55.300 0.031 0.000 1.097 293 M CB -0.317 32.284 32.600 0.002 0.000 1.382 293 M HN 0.090 nan 8.290 nan 0.000 0.413 294 K N 0.576 120.994 120.400 0.031 0.000 2.504 294 K HA 0.004 4.325 4.320 0.001 0.000 0.195 294 K C 1.109 177.714 176.600 0.008 0.000 1.036 294 K CA 0.598 56.894 56.287 0.015 0.000 0.984 294 K CB 0.083 32.593 32.500 0.016 0.000 0.788 294 K HN 0.620 nan 8.250 nan 0.000 0.488 295 Q N 0.210 120.025 119.800 0.026 0.000 2.179 295 Q HA 0.235 4.576 4.340 0.001 0.000 0.213 295 Q C 0.075 176.036 176.000 -0.064 0.000 0.833 295 Q CA 0.094 55.883 55.803 -0.023 0.000 0.990 295 Q CB 0.741 29.468 28.738 -0.018 0.000 1.132 295 Q HN 0.262 nan 8.270 nan 0.000 0.493 296 I N 1.578 122.119 120.570 -0.048 0.000 2.392 296 I HA 0.346 4.517 4.170 0.001 0.000 0.295 296 I C -0.426 175.627 176.117 -0.106 0.000 0.985 296 I CA -0.713 60.548 61.300 -0.066 0.000 1.221 296 I CB 1.312 39.299 38.000 -0.022 0.000 1.366 296 I HN -0.080 nan 8.210 nan 0.000 0.467 297 L N 6.484 127.628 121.223 -0.131 0.000 2.385 297 L HA 0.615 4.956 4.340 0.001 0.000 0.273 297 L C -0.835 175.986 176.870 -0.082 0.000 0.990 297 L CA -0.822 53.931 54.840 -0.144 0.000 0.821 297 L CB 2.149 44.063 42.059 -0.241 0.000 1.279 297 L HN 0.256 nan 8.230 nan 0.000 0.412 298 V N 1.645 121.529 119.914 -0.051 0.000 2.715 298 V HA 0.755 4.876 4.120 0.001 0.000 0.310 298 V C -0.150 175.970 176.094 0.044 0.000 1.054 298 V CA -0.225 62.078 62.300 0.005 0.000 0.928 298 V CB 2.014 33.848 31.823 0.019 0.000 1.007 298 V HN 0.863 nan 8.190 nan 0.000 0.437 299 S N 1.438 117.192 115.700 0.090 0.000 2.703 299 S HA 0.443 4.914 4.470 0.001 0.000 0.273 299 S C 0.001 174.716 174.600 0.192 0.000 1.178 299 S CA -0.580 57.706 58.200 0.143 0.000 0.838 299 S CB 1.819 65.110 63.200 0.152 0.000 1.178 299 S HN 0.790 nan 8.310 nan 0.000 0.494 300 N N 0.756 119.605 118.700 0.248 0.000 2.273 300 N HA 0.100 4.841 4.740 0.001 0.000 0.192 300 N C -0.768 175.051 175.510 0.515 0.000 1.132 300 N CA 0.275 53.528 53.050 0.338 0.000 0.887 300 N CB 0.196 38.851 38.487 0.281 0.000 1.048 300 N HN 0.743 nan 8.380 nan 0.000 0.490 301 D N 0.295 120.951 120.400 0.427 0.000 2.689 301 D HA -0.189 4.452 4.640 0.001 0.000 0.237 301 D C -0.519 176.101 176.300 0.533 0.000 1.148 301 D CA 0.418 54.718 54.000 0.500 0.000 0.656 301 D CB -1.105 39.891 40.800 0.328 0.000 1.050 301 D HN 0.372 nan 8.370 nan 0.000 0.426 302 W N -0.485 120.894 121.300 0.133 0.000 2.225 302 W HA 0.550 5.210 4.660 0.001 0.000 0.377 302 W C -0.064 176.342 176.519 -0.188 0.000 1.418 302 W CA -0.646 56.659 57.345 -0.066 0.000 1.562 302 W CB 0.686 30.055 29.460 -0.152 0.000 1.297 302 W HN 0.057 nan 8.180 nan 0.000 0.686 303 L N -0.568 120.234 121.223 -0.702 0.000 2.838 303 L HA 0.383 4.724 4.340 0.001 0.000 0.266 303 L C -0.585 175.821 176.870 -0.773 0.000 1.040 303 L CA -0.689 53.764 54.840 -0.646 0.000 0.906 303 L CB 0.432 42.186 42.059 -0.509 0.000 1.501 303 L HN 0.301 nan 8.230 nan 0.000 0.407 304 F N -0.462 119.475 119.950 -0.022 0.000 2.717 304 F HA 0.697 5.224 4.527 0.001 0.000 0.297 304 F C 1.162 176.989 175.800 0.044 0.000 1.113 304 F CA -0.010 58.010 58.000 0.032 0.000 1.319 304 F CB 0.894 39.920 39.000 0.043 0.000 1.097 304 F HN 0.664 nan 8.300 nan 0.000 0.595 305 G N -0.409 108.476 108.800 0.142 0.000 2.667 305 G HA2 0.510 4.471 3.960 0.001 0.000 0.298 305 G HA3 0.510 4.471 3.960 0.001 0.000 0.298 305 G C -2.142 172.950 174.900 0.319 0.000 1.377 305 G CA -0.380 44.885 45.100 0.274 0.000 0.964 305 G HN -0.164 nan 8.290 nan 0.000 0.493 306 F N 2.537 122.669 119.950 0.303 0.000 3.051 306 F HA 0.413 4.940 4.527 0.001 0.000 0.363 306 F C 0.755 176.668 175.800 0.189 0.000 1.257 306 F CA -1.624 56.450 58.000 0.124 0.000 1.126 306 F CB 1.701 40.688 39.000 -0.023 0.000 1.476 306 F HN 0.489 nan 8.300 nan 0.000 0.576 307 S N 0.843 116.729 115.700 0.310 0.000 2.502 307 S HA 0.004 4.475 4.470 0.001 0.000 0.215 307 S C 1.231 175.592 174.600 -0.398 0.000 1.009 307 S CA 0.618 58.619 58.200 -0.331 0.000 0.908 307 S CB -0.205 62.318 63.200 -1.129 0.000 0.801 307 S HN 0.490 nan 8.310 nan 0.000 0.505 308 S N 0.166 115.815 115.700 -0.085 0.000 2.840 308 S HA 0.349 4.820 4.470 0.001 0.000 0.235 308 S C -0.235 174.411 174.600 0.077 0.000 0.968 308 S CA -0.539 57.661 58.200 -0.001 0.000 1.026 308 S CB -0.773 62.529 63.200 0.170 0.000 0.788 308 S HN 0.615 nan 8.310 nan 0.000 0.487 309 Y N 0.291 120.366 120.300 -0.376 0.000 3.059 309 Y HA 0.534 5.085 4.550 0.001 0.000 0.301 309 Y C -0.394 175.324 175.900 -0.304 0.000 1.677 309 Y CA -1.455 56.406 58.100 -0.399 0.000 1.079 309 Y CB 0.779 38.790 38.460 -0.749 0.000 1.534 309 Y HN 0.131 nan 8.280 nan 0.000 0.473 310 V N 0.658 120.131 119.914 -0.735 0.000 2.963 310 V HA 0.329 4.450 4.120 0.001 0.000 0.306 310 V C 0.010 175.963 176.094 -0.234 0.000 1.077 310 V CA -0.401 61.624 62.300 -0.458 0.000 1.124 310 V CB 0.052 31.576 31.823 -0.500 0.000 0.987 310 V HN 0.728 nan 8.190 nan 0.000 0.487 311 T N 4.317 118.789 114.554 -0.137 0.000 2.932 311 T HA 0.206 4.557 4.350 0.001 0.000 0.312 311 T C 0.866 175.490 174.700 -0.126 0.000 1.071 311 T CA 1.045 63.090 62.100 -0.093 0.000 1.128 311 T CB -0.163 68.647 68.868 -0.097 0.000 0.984 311 T HN 1.147 nan 8.240 nan 0.000 0.549 312 N N -0.958 117.662 118.700 -0.134 0.000 2.980 312 N HA -0.188 4.553 4.740 0.001 0.000 0.219 312 N C 0.831 176.305 175.510 -0.059 0.000 0.883 312 N CA 0.724 53.716 53.050 -0.097 0.000 1.018 312 N CB -1.503 36.931 38.487 -0.089 0.000 1.041 312 N HN 0.578 nan 8.380 nan 0.000 0.592 313 I N 0.590 121.116 120.570 -0.074 0.000 2.264 313 I HA -0.155 4.016 4.170 0.001 0.000 0.248 313 I C 2.153 178.274 176.117 0.006 0.000 1.111 313 I CA 1.685 62.961 61.300 -0.040 0.000 1.382 313 I CB -0.156 37.786 38.000 -0.096 0.000 1.060 313 I HN 0.388 nan 8.210 nan 0.000 0.418 314 M N 0.540 120.161 119.600 0.035 0.000 2.080 314 M HA -0.231 4.249 4.480 0.001 0.000 0.260 314 M C 1.725 178.053 176.300 0.046 0.000 1.068 314 M CA 2.027 57.367 55.300 0.066 0.000 1.109 314 M CB -0.644 32.032 32.600 0.126 0.000 1.342 314 M HN 0.245 nan 8.290 nan 0.000 0.405 315 D N -0.603 119.816 120.400 0.031 0.000 2.123 315 D HA -0.153 4.488 4.640 0.001 0.000 0.196 315 D C 2.151 178.476 176.300 0.042 0.000 0.992 315 D CA 1.641 55.663 54.000 0.036 0.000 0.833 315 D CB -0.652 40.154 40.800 0.010 0.000 0.954 315 D HN 0.295 nan 8.370 nan 0.000 0.455 316 V N 0.963 120.892 119.914 0.025 0.000 2.287 316 V HA -0.263 3.858 4.120 0.001 0.000 0.248 316 V C 2.529 178.652 176.094 0.047 0.000 1.053 316 V CA 1.505 63.822 62.300 0.028 0.000 1.027 316 V CB -0.410 31.423 31.823 0.017 0.000 0.646 316 V HN 0.202 nan 8.190 nan 0.000 0.447 317 M N -0.532 119.089 119.600 0.036 0.000 2.132 317 M HA -0.168 4.312 4.480 0.001 0.000 0.263 317 M C 1.937 178.407 176.300 0.282 0.000 1.065 317 M CA 1.715 57.053 55.300 0.063 0.000 1.122 317 M CB -0.586 31.876 32.600 -0.230 0.000 1.365 317 M HN 0.300 nan 8.290 nan 0.000 0.411 318 D N -0.020 120.520 120.400 0.232 0.000 2.218 318 D HA -0.102 4.539 4.640 0.001 0.000 0.204 318 D C 2.019 178.415 176.300 0.159 0.000 0.976 318 D CA 1.082 55.252 54.000 0.282 0.000 0.853 318 D CB -0.177 40.753 40.800 0.216 0.000 0.939 318 D HN 0.330 nan 8.370 nan 0.000 0.481 319 R N 0.009 120.572 120.500 0.105 0.000 2.093 319 R HA -0.005 4.335 4.340 0.001 0.000 0.224 319 R C 2.348 178.674 176.300 0.044 0.000 1.101 319 R CA 0.337 56.473 56.100 0.061 0.000 0.979 319 R CB -0.069 30.258 30.300 0.045 0.000 0.877 319 R HN 0.025 nan 8.270 nan 0.000 0.441 320 V N 1.117 121.064 119.914 0.056 0.000 2.358 320 V HA -0.171 3.950 4.120 0.001 0.000 0.246 320 V C 0.593 176.648 176.094 -0.065 0.000 1.047 320 V CA 1.376 63.687 62.300 0.017 0.000 1.035 320 V CB -0.400 31.444 31.823 0.036 0.000 0.658 320 V HN 0.332 nan 8.190 nan 0.000 0.452 321 N N -0.239 118.415 118.700 -0.077 0.000 2.762 321 N HA 0.258 4.999 4.740 0.001 0.000 0.252 321 N C -2.018 173.341 175.510 -0.252 0.000 1.269 321 N CA -1.800 51.045 53.050 -0.342 0.000 0.799 321 N CB 1.621 39.600 38.487 -0.847 0.000 1.173 321 N HN -0.002 nan 8.380 nan 0.000 0.516 322 P HA -0.033 nan 4.420 nan 0.000 0.222 322 P C 0.271 177.521 177.300 -0.084 0.000 1.147 322 P CA 0.932 64.004 63.100 -0.046 0.000 0.790 322 P CB 0.473 32.166 31.700 -0.013 0.000 0.780 323 D N -0.794 119.520 120.400 -0.143 0.000 2.269 323 D HA 0.009 4.650 4.640 0.001 0.000 0.208 323 D C 1.702 177.867 176.300 -0.225 0.000 0.963 323 D CA 1.309 55.237 54.000 -0.120 0.000 0.864 323 D CB -0.467 40.313 40.800 -0.032 0.000 0.936 323 D HN 0.115 nan 8.370 nan 0.000 0.505 324 G N 1.315 109.790 108.800 -0.542 0.000 2.611 324 G HA2 -0.416 3.544 3.960 0.001 0.000 0.301 324 G HA3 -0.416 3.544 3.960 0.001 0.000 0.301 324 G C 1.117 175.621 174.900 -0.660 0.000 1.233 324 G CA 0.590 45.109 45.100 -0.968 0.000 0.993 324 G HN 0.267 nan 8.290 nan 0.000 0.553 325 M N 1.083 120.539 119.600 -0.241 0.000 2.446 325 M HA 0.050 4.530 4.480 0.001 0.000 0.263 325 M C 2.763 179.057 176.300 -0.011 0.000 1.066 325 M CA 1.712 56.995 55.300 -0.028 0.000 1.087 325 M CB -0.270 32.404 32.600 0.124 0.000 1.406 325 M HN 0.711 nan 8.290 nan 0.000 0.459 326 A N -0.502 122.290 122.820 -0.048 0.000 2.206 326 A HA -0.078 4.242 4.320 0.001 0.000 0.211 326 A C 1.785 179.321 177.584 -0.080 0.000 1.158 326 A CA 0.347 52.346 52.037 -0.064 0.000 0.761 326 A CB -0.870 18.087 19.000 -0.071 0.000 0.801 326 A HN 0.491 nan 8.150 nan 0.000 0.473 327 F N 0.889 120.690 119.950 -0.249 0.000 2.126 327 F HA -0.233 4.295 4.527 0.001 0.000 0.299 327 F C 1.894 177.571 175.800 -0.204 0.000 1.096 327 F CA 1.539 59.362 58.000 -0.295 0.000 1.255 327 F CB -0.024 38.730 39.000 -0.410 0.000 0.997 327 F HN 0.192 nan 8.300 nan 0.000 0.479 328 I N 1.565 122.110 120.570 -0.042 0.000 2.099 328 I HA -0.216 3.954 4.170 0.001 0.000 0.239 328 I C -0.310 175.774 176.117 -0.056 0.000 1.066 328 I CA 1.812 63.099 61.300 -0.021 0.000 1.324 328 I CB -2.957 35.145 38.000 0.170 0.000 1.037 328 I HN 0.122 nan 8.210 nan 0.000 0.401 329 P HA -0.065 nan 4.420 nan 0.000 0.220 329 P C 2.207 179.415 177.300 -0.154 0.000 1.152 329 P CA 1.275 64.322 63.100 -0.090 0.000 0.812 329 P CB 0.063 31.564 31.700 -0.331 0.000 0.792 330 L N -1.452 119.637 121.223 -0.224 0.000 2.209 330 L HA 0.037 4.378 4.340 0.001 0.000 0.207 330 L C 2.660 179.344 176.870 -0.310 0.000 1.094 330 L CA 0.998 55.700 54.840 -0.230 0.000 0.790 330 L CB -0.280 41.650 42.059 -0.215 0.000 0.932 330 L HN -0.098 nan 8.230 nan 0.000 0.447 331 R N -1.270 118.891 120.500 -0.564 0.000 2.215 331 R HA 0.141 4.482 4.340 0.001 0.000 0.190 331 R C 2.100 178.100 176.300 -0.500 0.000 0.968 331 R CA 0.542 56.211 56.100 -0.719 0.000 1.122 331 R CB -0.385 28.991 30.300 -1.539 0.000 1.151 331 R HN 0.055 nan 8.270 nan 0.000 0.582 332 V N 2.489 122.072 119.914 -0.552 0.000 2.307 332 V HA -0.184 3.937 4.120 0.001 0.000 0.245 332 V C 2.447 178.615 176.094 0.123 0.000 1.045 332 V CA 1.477 63.718 62.300 -0.097 0.000 1.024 332 V CB -0.413 31.377 31.823 -0.054 0.000 0.651 332 V HN 0.082 nan 8.190 nan 0.000 0.449 333 I N 0.214 120.818 120.570 0.056 0.000 2.163 333 I HA -0.121 4.050 4.170 0.001 0.000 0.243 333 I C 0.104 176.282 176.117 0.101 0.000 1.085 333 I CA 1.751 63.112 61.300 0.102 0.000 1.347 333 I CB -2.745 35.330 38.000 0.124 0.000 1.044 333 I HN 0.338 nan 8.210 nan 0.000 0.408 334 P HA -0.173 nan 4.420 nan 0.000 0.217 334 P C 2.042 179.424 177.300 0.137 0.000 1.150 334 P CA 1.193 64.340 63.100 0.077 0.000 0.832 334 P CB -0.207 31.518 31.700 0.042 0.000 0.787 335 F N 0.290 120.284 119.950 0.074 0.000 2.134 335 F HA -0.154 4.374 4.527 0.001 0.000 0.299 335 F C 1.890 177.744 175.800 0.090 0.000 1.097 335 F CA 1.472 59.554 58.000 0.137 0.000 1.264 335 F CB -0.806 38.387 39.000 0.320 0.000 1.001 335 F HN -0.266 nan 8.300 nan 0.000 0.479 336 L N 0.067 121.391 121.223 0.169 0.000 2.093 336 L HA -0.162 4.179 4.340 0.001 0.000 0.208 336 L C 2.727 179.563 176.870 -0.057 0.000 1.085 336 L CA 1.427 56.282 54.840 0.025 0.000 0.755 336 L CB -0.711 41.428 42.059 0.133 0.000 0.904 336 L HN 0.118 nan 8.230 nan 0.000 0.435 337 R N 0.962 121.455 120.500 -0.011 0.000 2.081 337 R HA -0.209 4.132 4.340 0.001 0.000 0.235 337 R C 2.182 178.443 176.300 -0.066 0.000 1.131 337 R CA 1.875 57.961 56.100 -0.023 0.000 0.960 337 R CB -0.082 30.220 30.300 0.004 0.000 0.856 337 R HN 0.568 nan 8.270 nan 0.000 0.436 338 E N 0.236 120.378 120.200 -0.097 0.000 2.204 338 E HA -0.162 4.189 4.350 0.001 0.000 0.195 338 E C 1.140 177.630 176.600 -0.184 0.000 0.990 338 E CA 0.989 57.314 56.400 -0.126 0.000 0.821 338 E CB -0.023 29.612 29.700 -0.108 0.000 0.750 338 E HN 0.122 nan 8.360 nan 0.000 0.477 339 K N 0.080 120.321 120.400 -0.266 0.000 2.458 339 K HA 0.109 4.429 4.320 0.001 0.000 0.194 339 K C 0.973 177.492 176.600 -0.134 0.000 1.024 339 K CA 0.690 56.826 56.287 -0.252 0.000 1.108 339 K CB 0.875 33.150 32.500 -0.374 0.000 0.846 339 K HN 0.426 nan 8.250 nan 0.000 0.518 340 G N 0.723 109.464 108.800 -0.098 0.000 2.179 340 G HA2 -0.233 3.728 3.960 0.001 0.000 0.220 340 G HA3 -0.233 3.728 3.960 0.001 0.000 0.220 340 G C 0.173 175.048 174.900 -0.043 0.000 0.990 340 G CA -0.088 44.976 45.100 -0.061 0.000 0.646 340 G HN 0.111 nan 8.290 nan 0.000 0.517 341 V N 3.180 123.070 119.914 -0.040 0.000 2.521 341 V HA 0.369 4.489 4.120 0.001 0.000 0.286 341 V C -1.214 174.874 176.094 -0.012 0.000 1.034 341 V CA -0.929 61.360 62.300 -0.018 0.000 1.045 341 V CB 0.962 32.784 31.823 -0.001 0.000 0.974 341 V HN 0.201 nan 8.190 nan 0.000 0.480 342 P HA 0.107 nan 4.420 nan 0.000 0.272 342 P C 0.555 177.855 177.300 0.001 0.000 1.223 342 P CA -0.269 62.827 63.100 -0.006 0.000 0.784 342 P CB 0.676 32.371 31.700 -0.009 0.000 0.923 343 Q N 2.202 122.004 119.800 0.004 0.000 2.096 343 Q HA -0.284 4.056 4.340 0.001 0.000 0.208 343 Q C 1.305 177.312 176.000 0.011 0.000 0.993 343 Q CA 2.413 58.223 55.803 0.012 0.000 0.862 343 Q CB -0.684 28.061 28.738 0.010 0.000 0.915 343 Q HN 0.391 nan 8.270 nan 0.000 0.416 344 E N -0.514 119.689 120.200 0.004 0.000 2.204 344 E HA -0.092 4.258 4.350 0.001 0.000 0.194 344 E C 1.923 178.520 176.600 -0.004 0.000 0.989 344 E CA 1.592 57.992 56.400 0.001 0.000 0.824 344 E CB -0.211 29.488 29.700 -0.002 0.000 0.756 344 E HN 0.429 nan 8.360 nan 0.000 0.477 345 T N 0.572 115.123 114.554 -0.004 0.000 2.896 345 T HA 0.018 4.369 4.350 0.001 0.000 0.263 345 T C 1.797 176.491 174.700 -0.010 0.000 1.050 345 T CA 0.549 62.644 62.100 -0.008 0.000 1.140 345 T CB -0.121 68.743 68.868 -0.006 0.000 0.877 345 T HN 0.064 nan 8.240 nan 0.000 0.457 346 L N 0.938 122.161 121.223 0.000 0.000 2.046 346 L HA -0.076 4.265 4.340 0.001 0.000 0.208 346 L C 3.039 179.896 176.870 -0.021 0.000 1.077 346 L CA 1.284 56.126 54.840 0.003 0.000 0.747 346 L CB -0.665 41.413 42.059 0.032 0.000 0.896 346 L HN 0.231 nan 8.230 nan 0.000 0.432 347 A N 0.290 123.106 122.820 -0.007 0.000 1.930 347 A HA -0.084 4.237 4.320 0.001 0.000 0.217 347 A C 2.420 179.975 177.584 -0.048 0.000 1.175 347 A CA 1.576 53.604 52.037 -0.015 0.000 0.627 347 A CB -1.204 17.803 19.000 0.012 0.000 0.815 347 A HN 0.433 nan 8.150 nan 0.000 0.443 348 G N 0.104 108.882 108.800 -0.036 0.000 2.418 348 G HA2 -0.201 3.760 3.960 0.001 0.000 0.217 348 G HA3 -0.201 3.760 3.960 0.001 0.000 0.217 348 G C 1.525 176.387 174.900 -0.063 0.000 1.158 348 G CA 1.171 46.248 45.100 -0.039 0.000 0.771 348 G HN 0.474 nan 8.290 nan 0.000 0.545 349 I N 1.376 121.903 120.570 -0.073 0.000 2.252 349 I HA -0.134 4.036 4.170 0.001 0.000 0.245 349 I C 3.053 179.069 176.117 -0.168 0.000 1.102 349 I CA 1.726 62.970 61.300 -0.094 0.000 1.385 349 I CB -0.264 37.695 38.000 -0.068 0.000 1.064 349 I HN 0.333 nan 8.210 nan 0.000 0.414 350 T N -2.918 111.478 114.554 -0.264 0.000 3.067 350 T HA 0.108 4.459 4.350 0.001 0.000 0.257 350 T C 1.409 175.843 174.700 -0.442 0.000 1.105 350 T CA 0.450 62.229 62.100 -0.536 0.000 1.104 350 T CB 0.170 68.405 68.868 -1.056 0.000 0.925 350 T HN 0.127 nan 8.240 nan 0.000 0.498 351 V N 0.610 120.392 119.914 -0.221 0.000 3.029 351 V HA 0.055 4.176 4.120 0.001 0.000 0.230 351 V C 2.760 178.820 176.094 -0.058 0.000 1.254 351 V CA 1.043 63.278 62.300 -0.109 0.000 1.276 351 V CB -0.250 31.547 31.823 -0.044 0.000 1.080 351 V HN 0.364 nan 8.190 nan 0.000 0.495 352 T N 1.153 115.676 114.554 -0.050 0.000 2.701 352 T HA -0.149 4.202 4.350 0.001 0.000 0.263 352 T C 1.796 176.484 174.700 -0.020 0.000 1.040 352 T CA 1.905 63.989 62.100 -0.027 0.000 1.147 352 T CB -0.336 68.518 68.868 -0.022 0.000 0.865 352 T HN 0.332 nan 8.240 nan 0.000 0.426 353 N N 1.563 120.242 118.700 -0.035 0.000 2.069 353 N HA -0.059 4.682 4.740 0.001 0.000 0.191 353 N C -0.964 174.554 175.510 0.014 0.000 1.031 353 N CA 1.267 54.302 53.050 -0.025 0.000 0.852 353 N CB -1.558 36.892 38.487 -0.062 0.000 1.018 353 N HN 0.335 nan 8.380 nan 0.000 0.423 354 P HA -0.039 nan 4.420 nan 0.000 0.216 354 P C 1.083 178.437 177.300 0.091 0.000 1.153 354 P CA 1.548 64.688 63.100 0.067 0.000 0.848 354 P CB -0.101 31.609 31.700 0.016 0.000 0.787 355 A N 0.114 122.955 122.820 0.035 0.000 1.877 355 A HA -0.224 4.097 4.320 0.001 0.000 0.216 355 A C 2.469 180.067 177.584 0.024 0.000 1.186 355 A CA 1.727 53.774 52.037 0.018 0.000 0.620 355 A CB -1.265 17.735 19.000 0.001 0.000 0.822 355 A HN 0.026 nan 8.150 nan 0.000 0.443 356 R N -1.917 118.607 120.500 0.040 0.000 2.096 356 R HA -0.140 4.201 4.340 0.001 0.000 0.235 356 R C 1.969 178.317 176.300 0.080 0.000 1.127 356 R CA 1.718 57.842 56.100 0.041 0.000 0.968 356 R CB -0.397 29.926 30.300 0.038 0.000 0.861 356 R HN 0.508 nan 8.270 nan 0.000 0.440 357 F N 1.228 121.145 119.950 -0.055 0.000 2.113 357 F HA -0.103 4.425 4.527 0.002 0.000 0.297 357 F C 1.770 177.531 175.800 -0.065 0.000 1.103 357 F CA 1.407 59.370 58.000 -0.061 0.000 1.248 357 F CB -0.325 38.641 39.000 -0.057 0.000 0.999 357 F HN -0.042 nan 8.300 nan 0.000 0.475 358 L N -0.550 120.614 121.223 -0.099 0.000 2.217 358 L HA -0.072 4.269 4.340 0.001 0.000 0.211 358 L C 1.393 178.156 176.870 -0.177 0.000 1.107 358 L CA 0.587 55.300 54.840 -0.211 0.000 0.783 358 L CB -0.855 41.150 42.059 -0.090 0.000 0.919 358 L HN 0.041 nan 8.230 nan 0.000 0.442 359 S N 0.986 116.618 115.700 -0.113 0.000 2.546 359 S HA 0.099 4.570 4.470 0.001 0.000 0.290 359 S C -2.177 172.348 174.600 -0.125 0.000 1.262 359 S CA -1.326 56.814 58.200 -0.099 0.000 1.083 359 S CB 0.281 63.442 63.200 -0.065 0.000 0.859 359 S HN -0.082 nan 8.310 nan 0.000 0.495 360 P HA 0.189 nan 4.420 nan 0.000 0.267 360 P C -1.012 176.227 177.300 -0.102 0.000 1.209 360 P CA 0.039 63.063 63.100 -0.127 0.000 0.763 360 P CB 0.610 32.242 31.700 -0.114 0.000 0.816 361 T N 4.243 118.733 114.554 -0.107 0.000 2.949 361 T HA 0.403 4.754 4.350 0.001 0.000 0.300 361 T C -0.064 174.590 174.700 -0.076 0.000 0.988 361 T CA -0.532 61.519 62.100 -0.082 0.000 0.993 361 T CB 0.434 69.256 68.868 -0.078 0.000 0.984 361 T HN 0.115 nan 8.240 nan 0.000 0.442 362 L N 2.647 123.834 121.223 -0.061 0.000 2.350 362 L HA 0.543 4.884 4.340 0.001 0.000 0.275 362 L C 0.971 177.814 176.870 -0.044 0.000 1.099 362 L CA -1.049 53.760 54.840 -0.052 0.000 0.808 362 L CB 0.778 42.810 42.059 -0.044 0.000 1.149 362 L HN 0.542 nan 8.230 nan 0.000 0.442 363 R N 2.587 123.063 120.500 -0.039 0.000 2.537 363 R HA 0.356 4.697 4.340 0.001 0.000 0.280 363 R C -0.124 176.161 176.300 -0.026 0.000 1.058 363 R CA -0.187 55.893 56.100 -0.033 0.000 1.057 363 R CB 0.725 31.008 30.300 -0.028 0.000 0.973 363 R HN 0.712 nan 8.270 nan 0.000 0.438 364 A N 3.882 126.687 122.820 -0.024 0.000 2.483 364 A HA 0.215 4.536 4.320 0.001 0.000 0.238 364 A C -0.029 177.546 177.584 -0.015 0.000 1.070 364 A CA -0.036 51.989 52.037 -0.019 0.000 0.770 364 A CB 0.171 19.160 19.000 -0.018 0.000 1.008 364 A HN 0.959 nan 8.150 nan 0.000 0.497 365 S N 0.000 115.692 115.700 -0.013 0.000 2.498 365 S HA 0.000 4.471 4.470 0.001 0.000 0.327 365 S CA 0.000 58.194 58.200 -0.009 0.000 1.107 365 S CB 0.000 63.195 63.200 -0.008 0.000 0.593 365 S HN 0.000 nan 8.310 nan 0.000 0.517