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 1ed5_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKLQTRPSPG DATA SEQUENCE PPPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW 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 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.363 176.600 -0.395 0.000 0.988 69 K CA 0.000 56.045 56.287 -0.404 0.000 0.838 69 K CB 0.000 32.171 32.500 -0.548 0.000 1.064 70 F N 5.174 125.143 119.950 0.032 0.000 2.404 70 F HA 0.316 4.844 4.527 0.002 0.000 0.358 70 F C -1.914 173.978 175.800 0.154 0.000 1.120 70 F CA -1.884 56.159 58.000 0.072 0.000 1.144 70 F CB 0.552 39.595 39.000 0.073 0.000 1.133 70 F HN 0.072 nan 8.300 nan 0.000 0.495 71 P HA 0.108 nan 4.420 nan 0.000 0.275 71 P C -0.797 176.563 177.300 0.100 0.000 1.227 71 P CA -0.577 62.623 63.100 0.166 0.000 0.781 71 P CB 1.214 32.976 31.700 0.104 0.000 0.906 72 R N 1.977 122.448 120.500 -0.049 0.000 2.308 72 R HA 0.408 4.749 4.340 0.002 0.000 0.305 72 R C -0.991 175.165 176.300 -0.240 0.000 1.053 72 R CA -0.543 55.292 56.100 -0.443 0.000 0.957 72 R CB 0.561 30.648 30.300 -0.354 0.000 1.022 72 R HN 0.285 nan 8.270 nan 0.000 0.461 73 V N 5.214 124.964 119.914 -0.274 0.000 2.409 73 V HA 0.338 4.459 4.120 0.002 0.000 0.291 73 V C -0.260 175.749 176.094 -0.142 0.000 1.020 73 V CA -0.738 61.493 62.300 -0.116 0.000 0.848 73 V CB 1.412 33.211 31.823 -0.040 0.000 0.990 73 V HN 0.715 nan 8.190 nan 0.000 0.430 74 K N 3.884 124.217 120.400 -0.111 0.000 2.207 74 K HA 0.432 4.753 4.320 0.002 0.000 0.255 74 K C -0.598 175.915 176.600 -0.145 0.000 0.941 74 K CA -0.698 55.453 56.287 -0.228 0.000 0.825 74 K CB 1.468 33.680 32.500 -0.481 0.000 1.119 74 K HN 0.709 nan 8.250 nan 0.000 0.430 75 N N 4.105 122.714 118.700 -0.151 0.000 2.469 75 N HA 0.091 4.832 4.740 0.002 0.000 0.253 75 N C -0.262 175.219 175.510 -0.049 0.000 0.970 75 N CA -0.359 52.707 53.050 0.028 0.000 0.940 75 N CB 0.477 38.999 38.487 0.058 0.000 1.128 75 N HN 0.665 nan 8.380 nan 0.000 0.503 76 W N 2.131 123.510 121.300 0.131 0.000 2.699 76 W HA 0.086 4.747 4.660 0.002 0.000 0.249 76 W C 2.049 178.618 176.519 0.084 0.000 1.280 76 W CA -0.028 57.386 57.345 0.115 0.000 1.345 76 W CB 0.209 29.760 29.460 0.152 0.000 1.128 76 W HN 0.670 nan 8.180 nan 0.000 0.642 77 E N 0.406 120.750 120.200 0.240 0.000 2.122 77 E HA -0.104 4.247 4.350 0.002 0.000 0.190 77 E C 1.703 178.333 176.600 0.049 0.000 0.977 77 E CA 1.010 57.457 56.400 0.080 0.000 0.820 77 E CB -0.169 29.554 29.700 0.037 0.000 0.770 77 E HN 0.269 nan 8.360 nan 0.000 0.462 78 L N -1.117 120.133 121.223 0.044 0.000 2.556 78 L HA 0.346 4.687 4.340 0.002 0.000 0.226 78 L C 1.555 178.407 176.870 -0.029 0.000 1.089 78 L CA 0.405 55.250 54.840 0.009 0.000 0.864 78 L CB 0.603 42.670 42.059 0.014 0.000 1.067 78 L HN 0.416 nan 8.230 nan 0.000 0.477 79 G N 0.641 109.396 108.800 -0.074 0.000 2.179 79 G HA2 -0.304 3.657 3.960 0.002 0.000 0.260 79 G HA3 -0.304 3.657 3.960 0.002 0.000 0.260 79 G C 0.397 175.207 174.900 -0.151 0.000 0.977 79 G CA 0.417 45.431 45.100 -0.144 0.000 0.641 79 G HN 0.448 nan 8.290 nan 0.000 0.533 80 S N -0.363 115.271 115.700 -0.111 0.000 2.592 80 S HA 0.751 5.222 4.470 0.002 0.000 0.271 80 S C 0.135 174.655 174.600 -0.133 0.000 1.326 80 S CA -0.354 57.789 58.200 -0.094 0.000 1.024 80 S CB 2.117 65.285 63.200 -0.052 0.000 0.921 80 S HN 0.595 nan 8.310 nan 0.000 0.527 81 I N 1.486 121.985 120.570 -0.118 0.000 2.647 81 I HA 0.542 4.713 4.170 0.002 0.000 0.295 81 I C -0.121 175.916 176.117 -0.134 0.000 1.078 81 I CA -0.517 60.684 61.300 -0.164 0.000 1.048 81 I CB 2.696 40.581 38.000 -0.192 0.000 1.239 81 I HN 0.985 nan 8.210 nan 0.000 0.421 82 T N 0.671 115.106 114.554 -0.198 0.000 2.841 82 T HA 0.618 4.969 4.350 0.002 0.000 0.296 82 T C -1.371 173.167 174.700 -0.270 0.000 1.166 82 T CA -0.808 61.222 62.100 -0.117 0.000 1.007 82 T CB 1.707 70.547 68.868 -0.047 0.000 1.253 82 T HN 0.283 nan 8.240 nan 0.000 0.511 83 Y N 0.294 120.586 120.300 -0.014 0.000 2.350 83 Y HA 0.447 4.998 4.550 0.002 0.000 0.338 83 Y C -0.080 175.816 175.900 -0.006 0.000 0.961 83 Y CA -0.922 57.179 58.100 0.003 0.000 1.100 83 Y CB 1.724 40.173 38.460 -0.018 0.000 1.179 83 Y HN 0.723 nan 8.280 nan 0.000 0.454 84 D N 2.263 122.758 120.400 0.159 0.000 2.365 84 D HA 0.062 4.703 4.640 0.002 0.000 0.237 84 D C 0.777 177.155 176.300 0.130 0.000 1.190 84 D CA 0.219 54.293 54.000 0.124 0.000 0.867 84 D CB 1.203 42.092 40.800 0.148 0.000 1.050 84 D HN 0.794 nan 8.370 nan 0.000 0.491 85 T N 1.077 115.633 114.554 0.003 0.000 3.014 85 T HA -0.049 4.302 4.350 0.002 0.000 0.250 85 T C 1.847 176.552 174.700 0.008 0.000 1.060 85 T CA -0.242 61.802 62.100 -0.093 0.000 1.040 85 T CB 0.094 68.708 68.868 -0.425 0.000 0.971 85 T HN 0.248 nan 8.240 nan 0.000 0.497 86 L N 2.520 123.742 121.223 -0.002 0.000 2.131 86 L HA 0.036 4.377 4.340 0.002 0.000 0.210 86 L C 2.685 179.473 176.870 -0.137 0.000 1.092 86 L CA 1.340 56.181 54.840 0.002 0.000 0.759 86 L CB -0.971 41.146 42.059 0.098 0.000 0.903 86 L HN 0.672 nan 8.230 nan 0.000 0.435 87 C N -1.419 117.628 119.300 -0.420 0.000 2.401 87 C HA -0.044 4.417 4.460 0.002 0.000 0.286 87 C C 2.767 177.535 174.990 -0.370 0.000 1.332 87 C CA 0.257 58.705 59.018 -0.951 0.000 1.795 87 C CB -2.284 24.875 27.740 -0.969 0.000 1.922 87 C HN 0.580 nan 8.230 nan 0.000 0.520 88 A N -0.068 122.689 122.820 -0.105 0.000 2.121 88 A HA -0.072 4.249 4.320 0.002 0.000 0.218 88 A C 2.262 179.836 177.584 -0.016 0.000 1.154 88 A CA 1.307 53.337 52.037 -0.013 0.000 0.679 88 A CB -0.436 18.659 19.000 0.159 0.000 0.795 88 A HN 0.711 nan 8.150 nan 0.000 0.458 89 Q N 0.042 119.829 119.800 -0.022 0.000 2.451 89 Q HA 0.068 4.409 4.340 0.002 0.000 0.206 89 Q C 0.787 176.802 176.000 0.025 0.000 0.947 89 Q CA 0.292 56.104 55.803 0.016 0.000 0.937 89 Q CB -0.265 28.495 28.738 0.038 0.000 1.025 89 Q HN 0.521 nan 8.270 nan 0.000 0.511 90 S N 0.808 116.506 115.700 -0.003 0.000 2.549 90 S HA 0.024 4.495 4.470 0.002 0.000 0.283 90 S C 0.830 175.449 174.600 0.030 0.000 1.320 90 S CA 0.069 58.295 58.200 0.043 0.000 1.058 90 S CB 0.556 63.784 63.200 0.047 0.000 0.882 90 S HN 0.109 nan 8.310 nan 0.000 0.498 91 Q N 1.689 121.515 119.800 0.043 0.000 2.185 91 Q HA 0.237 4.578 4.340 0.002 0.000 0.234 91 Q C -0.293 175.725 176.000 0.029 0.000 0.819 91 Q CA 0.034 55.856 55.803 0.032 0.000 0.961 91 Q CB 0.603 29.363 28.738 0.036 0.000 1.140 91 Q HN 0.747 nan 8.270 nan 0.000 0.492 92 Q N 1.298 121.121 119.800 0.037 0.000 2.312 92 Q HA 0.288 4.629 4.340 0.002 0.000 0.263 92 Q C -1.308 174.714 176.000 0.037 0.000 0.995 92 Q CA -0.263 55.559 55.803 0.031 0.000 0.853 92 Q CB 1.242 29.995 28.738 0.026 0.000 1.300 92 Q HN -0.170 nan 8.270 nan 0.000 0.448 93 D N 2.101 122.518 120.400 0.028 0.000 2.302 93 D HA 0.440 5.081 4.640 0.002 0.000 0.248 93 D C 0.107 176.427 176.300 0.033 0.000 1.094 93 D CA 0.172 54.190 54.000 0.029 0.000 0.897 93 D CB 1.352 42.163 40.800 0.020 0.000 1.200 93 D HN 0.681 nan 8.370 nan 0.000 0.429 94 G N 0.887 109.712 108.800 0.040 0.000 2.531 94 G HA2 0.343 4.304 3.960 0.002 0.000 0.281 94 G HA3 0.343 4.304 3.960 0.002 0.000 0.281 94 G C -1.550 173.370 174.900 0.033 0.000 1.382 94 G CA -0.628 44.496 45.100 0.040 0.000 1.045 94 G HN 0.367 nan 8.290 nan 0.000 0.533 95 P HA 0.179 nan 4.420 nan 0.000 0.257 95 P C 0.246 177.561 177.300 0.026 0.000 1.241 95 P CA -0.063 63.054 63.100 0.029 0.000 0.816 95 P CB 0.185 31.905 31.700 0.032 0.000 1.150 96 C N 0.794 120.112 119.300 0.029 0.000 2.500 96 C HA 0.646 5.107 4.460 0.002 0.000 0.367 96 C C 1.011 176.012 174.990 0.018 0.000 1.283 96 C CA 0.153 59.186 59.018 0.024 0.000 2.456 96 C CB 0.931 28.688 27.740 0.029 0.000 2.457 96 C HN 0.377 nan 8.230 nan 0.000 0.632 97 T N -2.180 112.381 114.554 0.013 0.000 2.816 97 T HA 0.404 4.755 4.350 0.002 0.000 0.299 97 T C -2.567 172.137 174.700 0.005 0.000 1.230 97 T CA -0.982 61.122 62.100 0.008 0.000 1.007 97 T CB 1.160 70.032 68.868 0.006 0.000 1.289 97 T HN 0.259 nan 8.240 nan 0.000 0.508 98 P HA 0.032 nan 4.420 nan 0.000 0.221 98 P C 1.447 178.747 177.300 -0.000 0.000 1.145 98 P CA 0.587 63.687 63.100 0.000 0.000 0.795 98 P CB 0.152 31.851 31.700 -0.003 0.000 0.775 99 R N -0.172 120.328 120.500 0.001 0.000 2.093 99 R HA -0.026 4.315 4.340 0.002 0.000 0.224 99 R C 0.537 176.837 176.300 0.000 0.000 1.101 99 R CA 0.847 56.947 56.100 0.000 0.000 0.979 99 R CB 0.229 30.529 30.300 0.000 0.000 0.877 99 R HN 0.077 nan 8.270 nan 0.000 0.441 100 R N -0.223 120.278 120.500 0.002 0.000 2.594 100 R HA 0.139 4.480 4.340 0.002 0.000 0.265 100 R C -1.768 174.536 176.300 0.006 0.000 1.070 100 R CA -0.714 55.387 56.100 0.003 0.000 0.909 100 R CB 0.110 30.412 30.300 0.003 0.000 1.243 100 R HN 0.084 nan 8.270 nan 0.000 0.455 101 C N 4.042 123.345 119.300 0.006 0.000 2.307 101 C HA 0.577 5.038 4.460 0.002 0.000 0.340 101 C C 0.719 175.719 174.990 0.017 0.000 1.275 101 C CA -0.668 58.356 59.018 0.011 0.000 1.811 101 C CB -0.763 26.979 27.740 0.004 0.000 2.372 101 C HN 0.771 nan 8.230 nan 0.000 0.531 102 L N 5.863 127.101 121.223 0.025 0.000 3.110 102 L HA 0.287 4.629 4.340 0.002 0.000 0.266 102 L C 2.013 178.912 176.870 0.048 0.000 1.257 102 L CA 0.198 55.058 54.840 0.033 0.000 1.038 102 L CB -0.110 41.967 42.059 0.030 0.000 1.395 102 L HN 1.034 nan 8.230 nan 0.000 0.566 103 G N 0.402 109.232 108.800 0.050 0.000 2.479 103 G HA2 -0.272 3.689 3.960 0.002 0.000 0.220 103 G HA3 -0.272 3.689 3.960 0.002 0.000 0.220 103 G C 1.614 176.578 174.900 0.108 0.000 1.115 103 G CA 1.194 46.337 45.100 0.071 0.000 0.757 103 G HN 0.520 nan 8.290 nan 0.000 0.560 104 S N -0.534 115.227 115.700 0.102 0.000 2.562 104 S HA 0.278 4.749 4.470 0.002 0.000 0.221 104 S C 0.751 175.440 174.600 0.149 0.000 0.975 104 S CA -0.413 57.870 58.200 0.138 0.000 0.918 104 S CB -0.070 63.190 63.200 0.099 0.000 0.772 104 S HN -0.007 nan 8.310 nan 0.000 0.531 105 L N 2.277 123.567 121.223 0.112 0.000 2.455 105 L HA 0.206 4.547 4.340 0.002 0.000 0.272 105 L C 1.441 178.394 176.870 0.139 0.000 1.174 105 L CA 0.219 55.119 54.840 0.100 0.000 0.869 105 L CB 0.598 42.694 42.059 0.061 0.000 1.130 105 L HN -0.013 nan 8.230 nan 0.000 0.474 106 V N 3.500 123.501 119.914 0.145 0.000 2.283 106 V HA -0.086 4.035 4.120 0.002 0.000 0.243 106 V C 0.844 176.954 176.094 0.026 0.000 1.039 106 V CA 1.182 63.589 62.300 0.178 0.000 1.016 106 V CB -0.292 31.638 31.823 0.177 0.000 0.650 106 V HN 0.485 nan 8.190 nan 0.000 0.449 107 L N -0.326 120.867 121.223 -0.050 0.000 2.322 107 L HA 0.487 4.828 4.340 0.002 0.000 0.269 107 L C -2.414 174.457 176.870 0.001 0.000 1.012 107 L CA -1.829 52.945 54.840 -0.111 0.000 0.815 107 L CB 0.967 42.898 42.059 -0.213 0.000 1.295 107 L HN 0.079 nan 8.230 nan 0.000 0.438 108 P HA 0.276 nan 4.420 nan 0.000 0.276 108 P C -0.259 177.051 177.300 0.016 0.000 1.244 108 P CA -0.619 62.508 63.100 0.046 0.000 0.801 108 P CB 1.026 32.769 31.700 0.072 0.000 1.006 109 R N 1.117 121.626 120.500 0.014 0.000 2.237 109 R HA 0.106 4.447 4.340 0.002 0.000 0.195 109 R C 1.374 177.675 176.300 0.002 0.000 0.956 109 R CA 1.294 57.395 56.100 0.003 0.000 1.029 109 R CB 0.099 30.401 30.300 0.004 0.000 0.972 109 R HN 0.215 nan 8.270 nan 0.000 0.493 110 K N -1.710 118.695 120.400 0.009 0.000 2.658 110 K HA 0.206 4.527 4.320 0.002 0.000 0.202 110 K C 0.245 176.852 176.600 0.011 0.000 1.563 110 K CA 0.214 56.504 56.287 0.006 0.000 1.129 110 K CB 0.181 32.684 32.500 0.005 0.000 1.507 110 K HN 0.045 nan 8.250 nan 0.000 0.581 111 L N 2.738 123.973 121.223 0.020 0.000 2.885 111 L HA 0.103 4.444 4.340 0.002 0.000 0.258 111 L C 0.948 177.834 176.870 0.027 0.000 1.146 111 L CA 0.760 55.613 54.840 0.022 0.000 0.922 111 L CB -1.538 40.539 42.059 0.029 0.000 1.138 111 L HN 0.288 nan 8.230 nan 0.000 0.431 112 Q N -0.097 119.717 119.800 0.022 0.000 2.837 112 Q HA 0.085 4.426 4.340 0.002 0.000 0.187 112 Q C 0.197 176.202 176.000 0.009 0.000 1.175 112 Q CA 0.754 56.570 55.803 0.022 0.000 1.271 112 Q CB 0.420 29.160 28.738 0.004 0.000 1.349 112 Q HN 0.207 nan 8.270 nan 0.000 0.694 113 T N 1.781 116.335 114.554 0.000 0.000 3.466 113 T HA 0.344 4.695 4.350 0.002 0.000 0.297 113 T C -0.684 174.003 174.700 -0.021 0.000 1.640 113 T CA -0.549 61.544 62.100 -0.011 0.000 1.631 113 T CB 0.173 69.035 68.868 -0.009 0.000 0.928 113 T HN 0.315 nan 8.240 nan 0.000 0.688 114 R N 2.185 122.672 120.500 -0.021 0.000 2.767 114 R HA 0.032 4.373 4.340 0.002 0.000 0.264 114 R C -2.106 174.177 176.300 -0.028 0.000 0.987 114 R CA -0.776 55.309 56.100 -0.025 0.000 1.114 114 R CB -0.338 29.950 30.300 -0.020 0.000 0.976 114 R HN 0.283 nan 8.270 nan 0.000 0.437 115 P HA -0.109 nan 4.420 nan 0.000 0.272 115 P C -0.137 177.148 177.300 -0.025 0.000 1.210 115 P CA 0.589 63.672 63.100 -0.027 0.000 0.789 115 P CB 0.420 32.106 31.700 -0.023 0.000 0.849 116 S N 1.081 116.767 115.700 -0.023 0.000 2.422 116 S HA 0.285 4.756 4.470 0.002 0.000 0.226 116 S C -1.641 172.949 174.600 -0.017 0.000 1.242 116 S CA -1.130 57.055 58.200 -0.025 0.000 1.231 116 S CB -0.256 62.923 63.200 -0.033 0.000 1.067 116 S HN 0.306 nan 8.310 nan 0.000 0.462 117 P HA 0.257 nan 4.420 nan 0.000 0.230 117 P C 0.789 178.086 177.300 -0.005 0.000 1.168 117 P CA 0.389 63.485 63.100 -0.007 0.000 0.793 117 P CB 0.150 31.847 31.700 -0.006 0.000 0.851 118 G N 1.181 109.976 108.800 -0.007 0.000 2.537 118 G HA2 0.549 4.510 3.960 0.002 0.000 0.308 118 G HA3 0.549 4.510 3.960 0.002 0.000 0.308 118 G C -2.944 171.951 174.900 -0.008 0.000 1.237 118 G CA -1.713 43.385 45.100 -0.005 0.000 0.968 118 G HN -0.139 nan 8.290 nan 0.000 0.481 119 P HA 0.237 nan 4.420 nan 0.000 0.276 119 P C -2.408 174.889 177.300 -0.004 0.000 1.235 119 P CA -0.956 62.142 63.100 -0.004 0.000 0.772 119 P CB 0.933 32.636 31.700 0.005 0.000 0.871 120 P HA 0.180 nan 4.420 nan 0.000 0.268 120 P C -2.439 174.864 177.300 0.004 0.000 1.204 120 P CA -1.373 61.723 63.100 -0.006 0.000 0.768 120 P CB -0.920 30.772 31.700 -0.014 0.000 0.842 121 P HA -0.123 nan 4.420 nan 0.000 0.252 121 P C 1.116 178.424 177.300 0.013 0.000 1.147 121 P CA 0.604 63.708 63.100 0.008 0.000 0.779 121 P CB -0.120 31.584 31.700 0.006 0.000 0.733 122 A N 5.153 127.982 122.820 0.014 0.000 1.940 122 A HA -0.291 4.030 4.320 0.002 0.000 0.221 122 A C 2.037 179.629 177.584 0.013 0.000 1.190 122 A CA 1.657 53.705 52.037 0.018 0.000 0.647 122 A CB -0.665 18.344 19.000 0.015 0.000 0.821 122 A HN 0.523 nan 8.150 nan 0.000 0.457 123 E N -1.077 119.128 120.200 0.010 0.000 2.051 123 E HA -0.265 4.086 4.350 0.002 0.000 0.192 123 E C 2.261 178.867 176.600 0.011 0.000 0.991 123 E CA 1.656 58.060 56.400 0.008 0.000 0.799 123 E CB -0.281 29.422 29.700 0.006 0.000 0.748 123 E HN 0.745 nan 8.360 nan 0.000 0.449 124 Q N 1.234 121.042 119.800 0.013 0.000 1.993 124 Q HA -0.163 4.178 4.340 0.002 0.000 0.202 124 Q C 2.196 178.212 176.000 0.026 0.000 0.984 124 Q CA 1.185 56.999 55.803 0.017 0.000 0.837 124 Q CB -0.636 28.110 28.738 0.013 0.000 0.902 124 Q HN 0.228 nan 8.270 nan 0.000 0.423 125 L N -0.041 121.200 121.223 0.030 0.000 1.990 125 L HA -0.161 4.180 4.340 0.002 0.000 0.213 125 L C 2.189 179.087 176.870 0.045 0.000 1.072 125 L CA 1.972 56.844 54.840 0.054 0.000 0.755 125 L CB -1.143 40.956 42.059 0.066 0.000 0.889 125 L HN 0.487 nan 8.230 nan 0.000 0.432 126 L N -0.596 120.635 121.223 0.014 0.000 2.079 126 L HA -0.191 4.150 4.340 0.002 0.000 0.210 126 L C 2.731 179.597 176.870 -0.006 0.000 1.081 126 L CA 2.106 56.933 54.840 -0.022 0.000 0.752 126 L CB -0.814 41.232 42.059 -0.022 0.000 0.896 126 L HN 0.646 nan 8.230 nan 0.000 0.433 127 S N -1.915 113.795 115.700 0.016 0.000 2.387 127 S HA -0.207 4.264 4.470 0.002 0.000 0.226 127 S C 1.891 176.523 174.600 0.054 0.000 1.026 127 S CA 0.975 59.192 58.200 0.029 0.000 0.972 127 S CB -0.538 62.678 63.200 0.027 0.000 0.814 127 S HN 0.637 nan 8.310 nan 0.000 0.477 128 Q N 1.016 120.854 119.800 0.064 0.000 2.123 128 Q HA 0.122 4.463 4.340 0.002 0.000 0.199 128 Q C 2.597 178.689 176.000 0.154 0.000 0.966 128 Q CA 1.280 57.143 55.803 0.100 0.000 0.845 128 Q CB -0.477 28.312 28.738 0.084 0.000 0.907 128 Q HN 0.767 nan 8.270 nan 0.000 0.439 129 A N 1.255 124.142 122.820 0.112 0.000 1.873 129 A HA -0.188 4.133 4.320 0.002 0.000 0.215 129 A C 1.987 179.642 177.584 0.117 0.000 1.186 129 A CA 1.241 53.334 52.037 0.093 0.000 0.616 129 A CB -0.373 18.440 19.000 -0.311 0.000 0.823 129 A HN 0.197 nan 8.150 nan 0.000 0.442 130 R N -0.542 119.990 120.500 0.053 0.000 2.091 130 R HA -0.177 4.164 4.340 0.002 0.000 0.238 130 R C 2.037 178.415 176.300 0.130 0.000 1.136 130 R CA 1.696 57.840 56.100 0.073 0.000 0.959 130 R CB -0.494 29.828 30.300 0.036 0.000 0.856 130 R HN 0.708 nan 8.270 nan 0.000 0.437 131 D N 0.070 120.554 120.400 0.139 0.000 2.097 131 D HA -0.211 4.430 4.640 0.002 0.000 0.195 131 D C 1.638 178.062 176.300 0.207 0.000 0.989 131 D CA 1.055 55.147 54.000 0.152 0.000 0.827 131 D CB -0.071 40.814 40.800 0.141 0.000 0.966 131 D HN 0.142 nan 8.370 nan 0.000 0.456 132 F N 0.803 120.838 119.950 0.142 0.000 2.102 132 F HA -0.090 4.438 4.527 0.002 0.000 0.298 132 F C 1.962 177.905 175.800 0.239 0.000 1.105 132 F CA 1.037 59.157 58.000 0.200 0.000 1.239 132 F CB -0.276 38.846 39.000 0.202 0.000 0.991 132 F HN -0.016 nan 8.300 nan 0.000 0.474 133 I N 1.044 121.657 120.570 0.072 0.000 2.208 133 I HA -0.324 3.847 4.170 0.002 0.000 0.245 133 I C 2.055 178.200 176.117 0.046 0.000 1.097 133 I CA 1.280 62.608 61.300 0.047 0.000 1.363 133 I CB -1.646 36.481 38.000 0.211 0.000 1.051 133 I HN 0.256 nan 8.210 nan 0.000 0.413 134 N N 0.799 119.548 118.700 0.082 0.000 2.120 134 N HA -0.188 4.553 4.740 0.002 0.000 0.188 134 N C 1.853 177.318 175.510 -0.075 0.000 1.024 134 N CA 1.086 54.161 53.050 0.041 0.000 0.852 134 N CB -0.300 38.261 38.487 0.124 0.000 1.003 134 N HN 0.506 nan 8.380 nan 0.000 0.424 135 Q N -0.505 119.267 119.800 -0.047 0.000 2.061 135 Q HA -0.189 4.152 4.340 0.002 0.000 0.204 135 Q C 1.823 177.651 176.000 -0.286 0.000 0.984 135 Q CA 1.324 57.112 55.803 -0.025 0.000 0.846 135 Q CB -0.265 28.582 28.738 0.182 0.000 0.902 135 Q HN 0.445 nan 8.270 nan 0.000 0.421 136 Y N 0.048 119.952 120.300 -0.660 0.000 2.097 136 Y HA -0.302 4.249 4.550 0.002 0.000 0.282 136 Y C 1.718 177.103 175.900 -0.857 0.000 1.152 136 Y CA 1.680 59.112 58.100 -1.113 0.000 1.136 136 Y CB -0.541 37.331 38.460 -0.980 0.000 0.975 136 Y HN 0.104 nan 8.280 nan 0.000 0.498 137 Y N -0.342 119.534 120.300 -0.708 0.000 2.421 137 Y HA -0.183 4.369 4.550 0.002 0.000 0.292 137 Y C 2.703 178.276 175.900 -0.545 0.000 1.136 137 Y CA 1.566 59.240 58.100 -0.710 0.000 1.255 137 Y CB -0.384 37.594 38.460 -0.805 0.000 0.991 137 Y HN 0.104 nan 8.280 nan 0.000 0.552 138 S N -0.838 114.658 115.700 -0.341 0.000 2.387 138 S HA -0.183 4.288 4.470 0.002 0.000 0.226 138 S C 2.264 176.709 174.600 -0.258 0.000 1.026 138 S CA 1.179 59.249 58.200 -0.216 0.000 0.972 138 S CB -0.504 62.622 63.200 -0.124 0.000 0.814 138 S HN 0.632 nan 8.310 nan 0.000 0.477 139 S N 2.672 118.124 115.700 -0.413 0.000 2.399 139 S HA -0.061 4.410 4.470 0.002 0.000 0.231 139 S C 1.590 175.970 174.600 -0.367 0.000 1.022 139 S CA 1.082 59.063 58.200 -0.365 0.000 0.983 139 S CB -0.816 62.027 63.200 -0.594 0.000 0.803 139 S HN 0.718 nan 8.310 nan 0.000 0.480 140 I N -2.247 118.004 120.570 -0.532 0.000 3.855 140 I HA 0.427 4.598 4.170 0.002 0.000 0.327 140 I C 0.080 176.046 176.117 -0.251 0.000 1.359 140 I CA -0.603 60.450 61.300 -0.411 0.000 1.142 140 I CB -0.624 37.028 38.000 -0.580 0.000 1.041 140 I HN 0.017 nan 8.210 nan 0.000 0.403 141 K N 1.674 121.953 120.400 -0.201 0.000 3.016 141 K HA -0.190 4.132 4.320 0.002 0.000 0.262 141 K C 0.312 176.865 176.600 -0.079 0.000 1.043 141 K CA 0.832 57.050 56.287 -0.115 0.000 0.761 141 K CB -1.321 31.129 32.500 -0.084 0.000 1.230 141 K HN 0.611 nan 8.250 nan 0.000 0.485 142 R N 0.115 120.570 120.500 -0.075 0.000 2.629 142 R HA 0.093 4.434 4.340 0.002 0.000 0.386 142 R C 0.147 176.495 176.300 0.080 0.000 1.071 142 R CA -0.192 55.924 56.100 0.026 0.000 1.104 142 R CB 1.133 31.487 30.300 0.091 0.000 1.370 142 R HN 0.127 nan 8.270 nan 0.000 0.574 143 S N -0.003 115.709 115.700 0.020 0.000 2.558 143 S HA 0.122 4.593 4.470 0.002 0.000 0.291 143 S C 1.489 176.179 174.600 0.150 0.000 1.306 143 S CA 1.379 59.617 58.200 0.064 0.000 1.056 143 S CB 0.490 63.705 63.200 0.026 0.000 0.836 143 S HN 0.700 nan 8.310 nan 0.000 0.504 144 G N 2.833 111.842 108.800 0.348 0.000 2.196 144 G HA2 -0.323 3.638 3.960 0.002 0.000 0.268 144 G HA3 -0.323 3.638 3.960 0.002 0.000 0.268 144 G C 0.381 175.283 174.900 0.004 0.000 0.975 144 G CA 0.893 46.041 45.100 0.079 0.000 0.648 144 G HN 1.648 nan 8.290 nan 0.000 0.538 145 S N -1.074 114.646 115.700 0.033 0.000 2.634 145 S HA 0.370 4.841 4.470 0.002 0.000 0.254 145 S C 1.409 175.980 174.600 -0.049 0.000 1.299 145 S CA 0.720 58.920 58.200 -0.000 0.000 0.974 145 S CB 0.961 64.184 63.200 0.039 0.000 1.001 145 S HN 0.588 nan 8.310 nan 0.000 0.584 146 Q N 0.276 120.058 119.800 -0.031 0.000 2.046 146 Q HA -0.087 4.254 4.340 0.002 0.000 0.200 146 Q C 2.273 178.239 176.000 -0.056 0.000 0.975 146 Q CA 1.378 57.156 55.803 -0.042 0.000 0.836 146 Q CB -0.817 27.913 28.738 -0.014 0.000 0.896 146 Q HN 0.896 nan 8.270 nan 0.000 0.428 147 A N 0.531 123.340 122.820 -0.018 0.000 1.908 147 A HA -0.271 4.050 4.320 0.002 0.000 0.218 147 A C 1.928 179.376 177.584 -0.226 0.000 1.181 147 A CA 1.810 53.855 52.037 0.013 0.000 0.627 147 A CB -1.198 17.928 19.000 0.209 0.000 0.818 147 A HN 0.738 nan 8.150 nan 0.000 0.445 148 H N -1.017 117.600 119.070 -0.756 0.000 2.290 148 H HA -0.163 4.394 4.556 0.002 0.000 0.298 148 H C 2.229 177.238 175.328 -0.532 0.000 1.087 148 H CA 1.609 56.894 56.048 -1.273 0.000 1.291 148 H CB -0.027 29.162 29.762 -0.954 0.000 1.369 148 H HN 0.626 nan 8.280 nan 0.000 0.492 149 E N 0.047 120.042 120.200 -0.341 0.000 2.085 149 E HA -0.181 4.170 4.350 0.002 0.000 0.194 149 E C 2.161 178.666 176.600 -0.159 0.000 0.994 149 E CA 1.435 57.662 56.400 -0.288 0.000 0.801 149 E CB 0.126 29.702 29.700 -0.207 0.000 0.743 149 E HN 0.654 nan 8.360 nan 0.000 0.453 150 E N -0.046 120.091 120.200 -0.105 0.000 2.106 150 E HA -0.197 4.154 4.350 0.002 0.000 0.192 150 E C 2.180 178.775 176.600 -0.007 0.000 0.984 150 E CA 0.598 56.973 56.400 -0.042 0.000 0.806 150 E CB -0.070 29.623 29.700 -0.012 0.000 0.750 150 E HN -0.023 nan 8.360 nan 0.000 0.458 151 R N 1.591 122.097 120.500 0.009 0.000 2.081 151 R HA -0.091 4.250 4.340 0.002 0.000 0.235 151 R C 2.134 178.471 176.300 0.061 0.000 1.131 151 R CA 1.146 57.302 56.100 0.093 0.000 0.960 151 R CB -0.690 29.750 30.300 0.233 0.000 0.856 151 R HN 0.156 nan 8.270 nan 0.000 0.436 152 L N 0.313 121.544 121.223 0.013 0.000 2.042 152 L HA -0.232 4.109 4.340 0.002 0.000 0.210 152 L C 2.554 179.405 176.870 -0.031 0.000 1.076 152 L CA 1.799 56.631 54.840 -0.013 0.000 0.749 152 L CB -0.472 41.543 42.059 -0.073 0.000 0.893 152 L HN 0.349 nan 8.230 nan 0.000 0.432 153 Q N -0.372 119.407 119.800 -0.034 0.000 2.124 153 Q HA -0.222 4.119 4.340 0.002 0.000 0.202 153 Q C 2.066 178.063 176.000 -0.005 0.000 0.977 153 Q CA 1.400 57.188 55.803 -0.026 0.000 0.850 153 Q CB -0.144 28.578 28.738 -0.026 0.000 0.901 153 Q HN 0.564 nan 8.270 nan 0.000 0.429 154 E N 0.275 120.484 120.200 0.015 0.000 2.038 154 E HA -0.185 4.166 4.350 0.002 0.000 0.195 154 E C 2.178 178.798 176.600 0.033 0.000 1.000 154 E CA 1.530 57.953 56.400 0.040 0.000 0.803 154 E CB -0.085 29.657 29.700 0.070 0.000 0.750 154 E HN 0.116 nan 8.360 nan 0.000 0.448 155 V N 1.988 121.902 119.914 -0.000 0.000 2.287 155 V HA -0.266 3.855 4.120 0.002 0.000 0.248 155 V C 2.263 178.298 176.094 -0.100 0.000 1.053 155 V CA 1.819 64.057 62.300 -0.103 0.000 1.027 155 V CB -0.514 31.165 31.823 -0.241 0.000 0.646 155 V HN 0.244 nan 8.190 nan 0.000 0.447 156 E N 0.332 120.491 120.200 -0.068 0.000 2.058 156 E HA -0.248 4.103 4.350 0.002 0.000 0.194 156 E C 2.392 178.984 176.600 -0.014 0.000 0.997 156 E CA 1.631 58.003 56.400 -0.046 0.000 0.801 156 E CB -0.512 29.167 29.700 -0.036 0.000 0.746 156 E HN 0.591 nan 8.360 nan 0.000 0.450 157 A N 1.365 124.186 122.820 0.002 0.000 1.908 157 A HA -0.245 4.076 4.320 0.002 0.000 0.218 157 A C 2.104 179.712 177.584 0.041 0.000 1.181 157 A CA 1.799 53.848 52.037 0.021 0.000 0.627 157 A CB -0.517 18.498 19.000 0.025 0.000 0.818 157 A HN 0.246 nan 8.150 nan 0.000 0.445 158 E N -0.559 119.679 120.200 0.063 0.000 2.072 158 E HA -0.104 4.247 4.350 0.002 0.000 0.191 158 E C 1.969 178.631 176.600 0.104 0.000 0.985 158 E CA 1.208 57.673 56.400 0.108 0.000 0.801 158 E CB -0.077 29.734 29.700 0.186 0.000 0.750 158 E HN 0.367 nan 8.360 nan 0.000 0.452 159 V N 1.004 120.964 119.914 0.077 0.000 2.307 159 V HA -0.251 3.870 4.120 0.002 0.000 0.245 159 V C 2.344 178.466 176.094 0.046 0.000 1.045 159 V CA 1.773 64.115 62.300 0.069 0.000 1.024 159 V CB -0.668 31.172 31.823 0.029 0.000 0.651 159 V HN 0.364 nan 8.190 nan 0.000 0.449 160 A N -0.538 122.300 122.820 0.030 0.000 1.972 160 A HA -0.184 4.137 4.320 0.002 0.000 0.219 160 A C 2.411 180.012 177.584 0.029 0.000 1.169 160 A CA 2.325 54.376 52.037 0.023 0.000 0.635 160 A CB -0.438 18.570 19.000 0.014 0.000 0.810 160 A HN 0.529 nan 8.150 nan 0.000 0.446 161 S N -1.558 114.165 115.700 0.038 0.000 2.470 161 S HA -0.010 4.461 4.470 0.002 0.000 0.222 161 S C 1.817 176.445 174.600 0.046 0.000 1.024 161 S CA 1.290 59.514 58.200 0.039 0.000 0.931 161 S CB 0.094 63.319 63.200 0.041 0.000 0.791 161 S HN 0.881 nan 8.310 nan 0.000 0.513 162 T N -2.764 111.826 114.554 0.060 0.000 2.975 162 T HA 0.459 4.810 4.350 0.002 0.000 0.261 162 T C 1.422 176.156 174.700 0.058 0.000 0.984 162 T CA 0.811 62.950 62.100 0.065 0.000 0.911 162 T CB 0.506 69.430 68.868 0.093 0.000 1.127 162 T HN 0.487 nan 8.240 nan 0.000 0.514 163 G N 0.326 109.159 108.800 0.056 0.000 2.159 163 G HA2 -0.166 3.795 3.960 0.002 0.000 0.256 163 G HA3 -0.166 3.795 3.960 0.002 0.000 0.256 163 G C 0.163 175.096 174.900 0.054 0.000 0.977 163 G CA 0.569 45.696 45.100 0.046 0.000 0.652 163 G HN 1.046 nan 8.290 nan 0.000 0.531 164 T N -1.584 113.018 114.554 0.080 0.000 2.665 164 T HA 0.699 5.051 4.350 0.002 0.000 0.303 164 T C -1.160 173.645 174.700 0.175 0.000 1.334 164 T CA 0.431 62.575 62.100 0.074 0.000 1.011 164 T CB 1.375 70.208 68.868 -0.058 0.000 1.573 164 T HN 1.569 nan 8.240 nan 0.000 0.492 165 Y N -0.840 119.375 120.300 -0.142 0.000 2.853 165 Y HA 0.837 5.388 4.550 0.002 0.000 0.326 165 Y C -1.681 174.021 175.900 -0.328 0.000 1.384 165 Y CA -1.186 56.876 58.100 -0.064 0.000 1.077 165 Y CB 0.895 39.366 38.460 0.020 0.000 1.395 165 Y HN 0.777 nan 8.280 nan 0.000 0.451 166 H N 0.448 119.525 119.070 0.011 0.000 2.768 166 H HA 0.643 5.200 4.556 0.002 0.000 0.371 166 H C -1.117 174.243 175.328 0.054 0.000 1.151 166 H CA -0.786 55.212 56.048 -0.084 0.000 1.165 166 H CB 2.044 31.809 29.762 0.006 0.000 1.722 166 H HN 0.710 nan 8.280 nan 0.000 0.543 167 L N 1.960 123.243 121.223 0.099 0.000 2.399 167 L HA 0.515 4.856 4.340 0.002 0.000 0.266 167 L C 0.492 177.435 176.870 0.122 0.000 1.114 167 L CA -0.733 54.198 54.840 0.151 0.000 0.804 167 L CB 0.837 42.958 42.059 0.103 0.000 1.146 167 L HN 0.416 nan 8.230 nan 0.000 0.451 168 R N 0.544 121.094 120.500 0.083 0.000 2.500 168 R HA 0.086 4.427 4.340 0.002 0.000 0.277 168 R C 0.891 177.188 176.300 -0.004 0.000 1.026 168 R CA -0.487 55.633 56.100 0.034 0.000 1.058 168 R CB 1.251 31.555 30.300 0.007 0.000 1.078 168 R HN 0.649 nan 8.270 nan 0.000 0.509 169 E N 1.243 121.440 120.200 -0.005 0.000 2.097 169 E HA -0.263 4.088 4.350 0.002 0.000 0.196 169 E C 1.416 178.003 176.600 -0.022 0.000 1.000 169 E CA 2.246 58.634 56.400 -0.020 0.000 0.804 169 E CB 0.120 29.812 29.700 -0.013 0.000 0.740 169 E HN 0.680 nan 8.360 nan 0.000 0.454 170 S N 0.124 115.806 115.700 -0.029 0.000 2.382 170 S HA -0.205 4.266 4.470 0.002 0.000 0.228 170 S C 1.782 176.344 174.600 -0.062 0.000 1.027 170 S CA 1.357 59.551 58.200 -0.010 0.000 0.991 170 S CB -0.349 62.861 63.200 0.018 0.000 0.823 170 S HN 0.383 nan 8.310 nan 0.000 0.469 171 E N 0.898 120.949 120.200 -0.248 0.000 2.107 171 E HA -0.003 4.348 4.350 0.002 0.000 0.191 171 E C 2.023 178.756 176.600 0.221 0.000 0.982 171 E CA 0.918 57.201 56.400 -0.194 0.000 0.809 171 E CB -0.309 29.300 29.700 -0.151 0.000 0.756 171 E HN 0.430 nan 8.360 nan 0.000 0.459 172 L N 0.792 122.053 121.223 0.063 0.000 2.046 172 L HA -0.151 4.190 4.340 0.002 0.000 0.208 172 L C 2.189 179.053 176.870 -0.009 0.000 1.077 172 L CA 1.343 56.164 54.840 -0.032 0.000 0.747 172 L CB -0.245 41.734 42.059 -0.134 0.000 0.896 172 L HN -0.061 nan 8.230 nan 0.000 0.432 173 V N -0.455 119.480 119.914 0.036 0.000 2.295 173 V HA -0.308 3.813 4.120 0.002 0.000 0.246 173 V C 2.331 178.519 176.094 0.156 0.000 1.049 173 V CA 2.135 64.469 62.300 0.055 0.000 1.024 173 V CB -0.964 30.892 31.823 0.056 0.000 0.648 173 V HN 0.571 nan 8.190 nan 0.000 0.447 174 F N 2.160 122.187 119.950 0.127 0.000 2.134 174 F HA -0.023 4.505 4.527 0.002 0.000 0.299 174 F C 2.161 178.105 175.800 0.240 0.000 1.097 174 F CA 1.666 59.794 58.000 0.214 0.000 1.264 174 F CB -0.911 38.275 39.000 0.309 0.000 1.001 174 F HN 0.121 nan 8.300 nan 0.000 0.479 175 G N -0.227 108.653 108.800 0.133 0.000 2.422 175 G HA2 -0.190 3.771 3.960 0.002 0.000 0.218 175 G HA3 -0.190 3.771 3.960 0.002 0.000 0.218 175 G C 1.810 176.602 174.900 -0.181 0.000 1.146 175 G CA 0.790 45.869 45.100 -0.036 0.000 0.769 175 G HN 0.633 nan 8.290 nan 0.000 0.547 176 A N 0.882 123.626 122.820 -0.126 0.000 1.898 176 A HA 0.035 4.356 4.320 0.002 0.000 0.216 176 A C 2.304 179.907 177.584 0.031 0.000 1.181 176 A CA 1.877 53.849 52.037 -0.109 0.000 0.620 176 A CB -0.318 18.642 19.000 -0.065 0.000 0.819 176 A HN 0.370 nan 8.150 nan 0.000 0.442 177 K N -0.643 119.808 120.400 0.085 0.000 2.097 177 K HA -0.132 4.189 4.320 0.002 0.000 0.206 177 K C 2.247 178.940 176.600 0.155 0.000 1.049 177 K CA 1.325 57.767 56.287 0.259 0.000 0.933 177 K CB -0.133 32.550 32.500 0.306 0.000 0.717 177 K HN 0.384 nan 8.250 nan 0.000 0.442 178 Q N 0.167 119.882 119.800 -0.142 0.000 2.119 178 Q HA -0.063 4.278 4.340 0.002 0.000 0.201 178 Q C 2.183 178.060 176.000 -0.206 0.000 0.972 178 Q CA 1.405 57.026 55.803 -0.305 0.000 0.847 178 Q CB -0.225 28.219 28.738 -0.490 0.000 0.903 178 Q HN 0.327 nan 8.270 nan 0.000 0.433 179 A N 0.167 122.881 122.820 -0.178 0.000 1.902 179 A HA -0.177 4.144 4.320 0.002 0.000 0.217 179 A C 1.809 179.451 177.584 0.096 0.000 1.181 179 A CA 1.326 53.229 52.037 -0.224 0.000 0.623 179 A CB -0.901 17.679 19.000 -0.700 0.000 0.818 179 A HN 0.526 nan 8.150 nan 0.000 0.443 180 W N 0.999 122.331 121.300 0.053 0.000 2.381 180 W HA -0.104 4.557 4.660 0.002 0.000 0.301 180 W C 2.310 178.793 176.519 -0.060 0.000 1.205 180 W CA 1.434 58.829 57.345 0.083 0.000 1.285 180 W CB -0.659 28.840 29.460 0.067 0.000 1.133 180 W HN 0.367 nan 8.180 nan 0.000 0.521 181 R N 0.381 120.800 120.500 -0.135 0.000 2.105 181 R HA -0.187 4.154 4.340 0.002 0.000 0.239 181 R C 1.539 177.666 176.300 -0.288 0.000 1.135 181 R CA 1.885 57.674 56.100 -0.519 0.000 0.967 181 R CB -0.569 29.106 30.300 -1.042 0.000 0.861 181 R HN 0.101 nan 8.270 nan 0.000 0.442 182 N N 0.338 118.933 118.700 -0.175 0.000 2.412 182 N HA 0.018 4.759 4.740 0.002 0.000 0.184 182 N C -0.312 175.156 175.510 -0.069 0.000 1.101 182 N CA 0.638 53.614 53.050 -0.125 0.000 0.881 182 N CB 0.419 38.838 38.487 -0.113 0.000 0.969 182 N HN 0.170 nan 8.380 nan 0.000 0.459 183 A N 2.253 125.078 122.820 0.007 0.000 2.489 183 A HA 0.208 4.529 4.320 0.002 0.000 0.289 183 A C -1.214 176.351 177.584 -0.032 0.000 1.216 183 A CA -0.892 51.151 52.037 0.009 0.000 0.883 183 A CB 0.230 19.280 19.000 0.083 0.000 1.110 183 A HN 0.009 nan 8.150 nan 0.000 0.523 184 P HA -0.134 nan 4.420 nan 0.000 0.219 184 P C 1.062 178.312 177.300 -0.083 0.000 1.146 184 P CA 1.188 64.233 63.100 -0.092 0.000 0.808 184 P CB 0.151 31.767 31.700 -0.141 0.000 0.779 185 R N -2.198 118.219 120.500 -0.139 0.000 2.317 185 R HA 0.157 4.498 4.340 0.002 0.000 0.208 185 R C 0.194 176.493 176.300 -0.002 0.000 0.914 185 R CA -0.156 55.879 56.100 -0.108 0.000 1.060 185 R CB -0.392 29.655 30.300 -0.420 0.000 1.015 185 R HN 0.181 nan 8.270 nan 0.000 0.498 186 C N 0.484 119.770 119.300 -0.024 0.000 2.285 186 C HA 0.243 4.704 4.460 0.002 0.000 0.335 186 C C 1.785 176.726 174.990 -0.082 0.000 1.267 186 C CA -0.674 58.352 59.018 0.013 0.000 1.762 186 C CB 0.702 28.512 27.740 0.117 0.000 2.365 186 C HN 0.283 nan 8.230 nan 0.000 0.527 187 V N 5.957 125.786 119.914 -0.142 0.000 3.541 187 V HA 0.239 4.360 4.120 0.002 0.000 0.267 187 V C 1.674 177.780 176.094 0.020 0.000 1.213 187 V CA 1.916 64.039 62.300 -0.295 0.000 1.149 187 V CB -0.082 31.587 31.823 -0.257 0.000 0.822 187 V HN 1.076 nan 8.190 nan 0.000 0.462 188 G N -0.629 108.222 108.800 0.085 0.000 3.434 188 G HA2 0.077 4.039 3.960 0.002 0.000 0.258 188 G HA3 0.077 4.039 3.960 0.002 0.000 0.258 188 G C 1.174 176.120 174.900 0.076 0.000 1.128 188 G CA -0.366 44.806 45.100 0.119 0.000 0.792 188 G HN 0.417 nan 8.290 nan 0.000 0.539 189 R N -0.142 120.326 120.500 -0.054 0.000 2.341 189 R HA 0.105 4.446 4.340 0.002 0.000 0.213 189 R C 1.951 177.855 176.300 -0.660 0.000 1.082 189 R CA 0.185 55.968 56.100 -0.528 0.000 1.017 189 R CB -0.143 29.814 30.300 -0.571 0.000 0.860 189 R HN 0.458 nan 8.270 nan 0.000 0.473 190 I N 0.789 121.157 120.570 -0.337 0.000 2.756 190 I HA -0.231 3.940 4.170 0.002 0.000 0.262 190 I C 1.324 177.361 176.117 -0.133 0.000 1.225 190 I CA 1.208 62.439 61.300 -0.116 0.000 1.472 190 I CB 0.179 38.207 38.000 0.048 0.000 1.094 190 I HN 0.193 nan 8.210 nan 0.000 0.454 191 Q N 0.496 120.159 119.800 -0.229 0.000 2.360 191 Q HA -0.101 4.240 4.340 0.002 0.000 0.202 191 Q C 1.660 177.285 176.000 -0.625 0.000 0.915 191 Q CA 0.423 56.087 55.803 -0.232 0.000 0.943 191 Q CB -0.218 28.550 28.738 0.051 0.000 1.064 191 Q HN 0.786 nan 8.270 nan 0.000 0.511 192 W N 0.392 120.980 121.300 -1.186 0.000 2.296 192 W HA -0.188 4.473 4.660 0.002 0.000 0.296 192 W C 1.153 177.402 176.519 -0.451 0.000 1.220 192 W CA 1.296 57.840 57.345 -1.335 0.000 1.223 192 W CB -1.340 27.524 29.460 -0.993 0.000 1.139 192 W HN 0.084 nan 8.180 nan 0.000 0.534 193 G N 1.090 109.269 108.800 -1.035 0.000 2.650 193 G HA2 -0.169 3.792 3.960 0.002 0.000 0.214 193 G HA3 -0.169 3.792 3.960 0.002 0.000 0.214 193 G C 0.777 175.489 174.900 -0.314 0.000 1.136 193 G CA 0.124 44.703 45.100 -0.867 0.000 0.789 193 G HN 0.273 nan 8.290 nan 0.000 0.536 194 K N 0.188 120.497 120.400 -0.151 0.000 2.419 194 K HA 0.544 4.865 4.320 0.002 0.000 0.244 194 K C -1.660 175.056 176.600 0.193 0.000 1.045 194 K CA -0.703 55.598 56.287 0.023 0.000 1.004 194 K CB 0.401 32.935 32.500 0.055 0.000 1.376 194 K HN 0.054 nan 8.250 nan 0.000 0.460 195 L N 3.231 124.546 121.223 0.152 0.000 2.476 195 L HA 0.318 4.659 4.340 0.002 0.000 0.269 195 L C -1.359 175.507 176.870 -0.007 0.000 0.965 195 L CA -0.387 54.550 54.840 0.162 0.000 0.845 195 L CB 1.945 44.177 42.059 0.288 0.000 1.259 195 L HN 0.505 nan 8.230 nan 0.000 0.403 196 Q N 3.343 123.083 119.800 -0.100 0.000 2.307 196 Q HA 0.482 4.823 4.340 0.002 0.000 0.259 196 Q C -1.503 174.161 176.000 -0.559 0.000 0.998 196 Q CA -0.030 55.549 55.803 -0.373 0.000 0.923 196 Q CB 1.120 29.546 28.738 -0.521 0.000 1.196 196 Q HN 0.521 nan 8.270 nan 0.000 0.416 197 V N 6.428 126.043 119.914 -0.497 0.000 2.333 197 V HA 0.363 4.484 4.120 0.002 0.000 0.274 197 V C -0.658 175.152 176.094 -0.473 0.000 1.028 197 V CA -0.538 61.525 62.300 -0.395 0.000 0.851 197 V CB 0.120 31.827 31.823 -0.193 0.000 1.000 197 V HN 0.623 nan 8.190 nan 0.000 0.456 198 F N 2.745 122.590 119.950 -0.174 0.000 2.391 198 F HA 0.362 4.890 4.527 0.002 0.000 0.359 198 F C 0.563 176.235 175.800 -0.213 0.000 1.122 198 F CA -1.084 56.812 58.000 -0.173 0.000 1.120 198 F CB 0.905 39.810 39.000 -0.157 0.000 1.142 198 F HN 0.424 nan 8.300 nan 0.000 0.483 199 D N 3.151 123.555 120.400 0.007 0.000 2.352 199 D HA 0.372 5.013 4.640 0.002 0.000 0.245 199 D C 0.155 176.353 176.300 -0.169 0.000 1.224 199 D CA 0.077 54.012 54.000 -0.109 0.000 0.879 199 D CB 1.133 41.897 40.800 -0.060 0.000 1.057 199 D HN 0.613 nan 8.370 nan 0.000 0.491 200 A N 4.590 127.147 122.820 -0.439 0.000 2.637 200 A HA 0.157 4.478 4.320 0.002 0.000 0.293 200 A C 1.574 178.868 177.584 -0.483 0.000 1.216 200 A CA -0.389 51.147 52.037 -0.835 0.000 0.956 200 A CB 0.039 18.060 19.000 -1.632 0.000 1.174 200 A HN 0.557 nan 8.150 nan 0.000 0.525 201 R N 0.007 120.357 120.500 -0.250 0.000 2.316 201 R HA -0.073 4.268 4.340 0.002 0.000 0.202 201 R C 0.251 176.502 176.300 -0.083 0.000 1.029 201 R CA 1.052 57.071 56.100 -0.134 0.000 1.018 201 R CB -0.012 30.266 30.300 -0.037 0.000 0.888 201 R HN 0.463 nan 8.270 nan 0.000 0.471 202 D N 0.106 120.478 120.400 -0.046 0.000 2.889 202 D HA 0.017 4.658 4.640 0.002 0.000 0.243 202 D C -1.147 175.217 176.300 0.107 0.000 1.270 202 D CA -0.257 53.771 54.000 0.047 0.000 0.838 202 D CB -0.108 40.747 40.800 0.093 0.000 1.040 202 D HN 0.038 nan 8.370 nan 0.000 0.480 203 C N 0.644 119.964 119.300 0.033 0.000 2.382 203 C HA 0.694 5.155 4.460 0.002 0.000 0.327 203 C C 1.051 176.147 174.990 0.177 0.000 1.250 203 C CA -0.214 58.882 59.018 0.130 0.000 1.707 203 C CB 0.682 28.471 27.740 0.082 0.000 2.272 203 C HN 0.463 nan 8.230 nan 0.000 0.506 204 S N 2.138 118.003 115.700 0.275 0.000 2.900 204 S HA 0.358 4.830 4.470 0.002 0.000 0.253 204 S C -0.148 174.619 174.600 0.278 0.000 1.029 204 S CA 0.212 58.611 58.200 0.332 0.000 1.096 204 S CB -0.304 63.022 63.200 0.210 0.000 1.067 204 S HN 1.436 nan 8.310 nan 0.000 0.610 205 S N -0.401 115.463 115.700 0.273 0.000 2.547 205 S HA 0.790 5.261 4.470 0.002 0.000 0.270 205 S C 0.845 175.535 174.600 0.150 0.000 1.150 205 S CA -0.304 57.999 58.200 0.171 0.000 0.850 205 S CB 0.963 64.244 63.200 0.136 0.000 1.118 205 S HN 0.613 nan 8.310 nan 0.000 0.461 206 A N 1.275 124.157 122.820 0.104 0.000 1.908 206 A HA -0.149 4.172 4.320 0.002 0.000 0.218 206 A C 2.130 179.697 177.584 -0.029 0.000 1.181 206 A CA 2.099 54.175 52.037 0.064 0.000 0.627 206 A CB -1.237 17.869 19.000 0.176 0.000 0.818 206 A HN 0.965 nan 8.150 nan 0.000 0.445 207 Q N -0.404 119.469 119.800 0.122 0.000 2.096 207 Q HA -0.247 4.094 4.340 0.002 0.000 0.204 207 Q C 1.874 177.904 176.000 0.051 0.000 0.982 207 Q CA 1.985 57.846 55.803 0.097 0.000 0.850 207 Q CB -0.170 28.697 28.738 0.216 0.000 0.901 207 Q HN 0.793 nan 8.270 nan 0.000 0.422 208 E N -0.256 120.008 120.200 0.108 0.000 2.150 208 E HA -0.153 4.198 4.350 0.002 0.000 0.193 208 E C 2.049 178.805 176.600 0.261 0.000 0.985 208 E CA 1.091 57.592 56.400 0.169 0.000 0.814 208 E CB -0.023 29.819 29.700 0.236 0.000 0.752 208 E HN 0.472 nan 8.360 nan 0.000 0.466 209 M N -0.081 119.600 119.600 0.136 0.000 2.117 209 M HA -0.143 4.339 4.480 0.002 0.000 0.262 209 M C 2.161 178.503 176.300 0.070 0.000 1.065 209 M CA 1.398 56.726 55.300 0.048 0.000 1.114 209 M CB -0.314 32.090 32.600 -0.326 0.000 1.361 209 M HN 0.138 nan 8.290 nan 0.000 0.408 210 F N 1.005 120.756 119.950 -0.331 0.000 2.126 210 F HA -0.258 4.270 4.527 0.002 0.000 0.299 210 F C 2.238 177.943 175.800 -0.159 0.000 1.096 210 F CA 1.749 59.500 58.000 -0.416 0.000 1.255 210 F CB -0.144 38.289 39.000 -0.946 0.000 0.997 210 F HN 0.054 nan 8.300 nan 0.000 0.479 211 T N -0.496 113.943 114.554 -0.192 0.000 2.708 211 T HA -0.227 4.124 4.350 0.002 0.000 0.266 211 T C 1.537 176.098 174.700 -0.232 0.000 1.037 211 T CA 1.822 63.757 62.100 -0.276 0.000 1.146 211 T CB -0.726 68.032 68.868 -0.185 0.000 0.865 211 T HN 0.346 nan 8.240 nan 0.000 0.435 212 Y N 0.923 121.172 120.300 -0.085 0.000 2.181 212 Y HA -0.048 4.503 4.550 0.002 0.000 0.288 212 Y C 2.272 178.125 175.900 -0.078 0.000 1.146 212 Y CA 0.915 58.976 58.100 -0.065 0.000 1.164 212 Y CB -0.382 38.138 38.460 0.100 0.000 0.982 212 Y HN 0.167 nan 8.280 nan 0.000 0.515 213 I N -1.591 119.064 120.570 0.141 0.000 2.226 213 I HA -0.350 3.821 4.170 0.002 0.000 0.245 213 I C 2.259 178.321 176.117 -0.092 0.000 1.100 213 I CA 0.889 62.213 61.300 0.040 0.000 1.374 213 I CB -0.458 37.557 38.000 0.024 0.000 1.057 213 I HN 0.317 nan 8.210 nan 0.000 0.413 214 C N 0.677 119.808 119.300 -0.282 0.000 2.440 214 C HA -0.112 4.349 4.460 0.002 0.000 0.278 214 C C 2.600 177.492 174.990 -0.164 0.000 1.295 214 C CA 0.751 59.590 59.018 -0.298 0.000 1.738 214 C CB -1.336 26.097 27.740 -0.512 0.000 1.987 214 C HN 0.542 nan 8.230 nan 0.000 0.492 215 N N -0.141 118.448 118.700 -0.185 0.000 2.244 215 N HA -0.125 4.616 4.740 0.002 0.000 0.183 215 N C 1.432 176.848 175.510 -0.157 0.000 1.016 215 N CA 1.235 54.167 53.050 -0.196 0.000 0.866 215 N CB -0.687 37.611 38.487 -0.315 0.000 0.980 215 N HN 0.751 nan 8.380 nan 0.000 0.430 216 H N 0.771 119.711 119.070 -0.216 0.000 2.321 216 H HA 0.083 4.640 4.556 0.002 0.000 0.300 216 H C 2.148 177.514 175.328 0.062 0.000 1.087 216 H CA 1.472 57.466 56.048 -0.090 0.000 1.319 216 H CB -0.027 29.727 29.762 -0.014 0.000 1.379 216 H HN 0.064 nan 8.280 nan 0.000 0.501 217 I N 0.704 121.428 120.570 0.257 0.000 2.226 217 I HA -0.272 3.899 4.170 0.002 0.000 0.245 217 I C 2.310 178.501 176.117 0.123 0.000 1.100 217 I CA 1.421 62.831 61.300 0.183 0.000 1.374 217 I CB -0.254 37.781 38.000 0.058 0.000 1.057 217 I HN 0.344 nan 8.210 nan 0.000 0.413 218 K N 0.019 120.460 120.400 0.069 0.000 2.026 218 K HA -0.235 4.086 4.320 0.002 0.000 0.208 218 K C 2.241 178.888 176.600 0.079 0.000 1.048 218 K CA 1.752 58.068 56.287 0.048 0.000 0.929 218 K CB -0.495 32.013 32.500 0.013 0.000 0.713 218 K HN 0.262 nan 8.250 nan 0.000 0.439 219 Y N 1.668 121.970 120.300 0.004 0.000 2.145 219 Y HA -0.257 4.294 4.550 0.002 0.000 0.286 219 Y C 2.317 178.261 175.900 0.073 0.000 1.145 219 Y CA 1.581 59.710 58.100 0.048 0.000 1.148 219 Y CB -0.372 38.149 38.460 0.101 0.000 0.981 219 Y HN 0.060 nan 8.280 nan 0.000 0.507 220 A N -0.566 122.388 122.820 0.223 0.000 1.877 220 A HA -0.193 4.129 4.320 0.002 0.000 0.216 220 A C 2.223 179.855 177.584 0.081 0.000 1.186 220 A CA 2.386 54.522 52.037 0.164 0.000 0.620 220 A CB -1.398 17.754 19.000 0.253 0.000 0.822 220 A HN 0.525 nan 8.150 nan 0.000 0.443 221 T N -0.439 114.166 114.554 0.086 0.000 2.708 221 T HA -0.153 4.198 4.350 0.002 0.000 0.266 221 T C 1.048 175.753 174.700 0.007 0.000 1.037 221 T CA 1.193 63.334 62.100 0.068 0.000 1.146 221 T CB -0.571 68.336 68.868 0.066 0.000 0.865 221 T HN 0.750 nan 8.240 nan 0.000 0.435 222 N N 0.714 119.388 118.700 -0.044 0.000 2.714 222 N HA -0.280 4.461 4.740 0.002 0.000 0.252 222 N C -0.592 174.890 175.510 -0.047 0.000 1.014 222 N CA 0.181 53.181 53.050 -0.084 0.000 0.735 222 N CB -0.556 37.840 38.487 -0.151 0.000 0.924 222 N HN 0.413 nan 8.380 nan 0.000 0.540 223 R N -2.186 118.300 120.500 -0.023 0.000 3.641 223 R HA -0.249 4.092 4.340 0.002 0.000 0.286 223 R C 1.226 177.513 176.300 -0.021 0.000 1.153 223 R CA 1.131 57.219 56.100 -0.020 0.000 0.775 223 R CB -2.048 28.236 30.300 -0.026 0.000 1.215 223 R HN 0.823 nan 8.270 nan 0.000 0.474 224 G N -0.397 108.398 108.800 -0.008 0.000 2.238 224 G HA2 -0.338 3.623 3.960 0.002 0.000 0.217 224 G HA3 -0.338 3.623 3.960 0.002 0.000 0.217 224 G C -0.038 174.855 174.900 -0.011 0.000 0.996 224 G CA 0.071 45.168 45.100 -0.005 0.000 0.632 224 G HN 0.481 nan 8.290 nan 0.000 0.503 225 N N 1.213 119.892 118.700 -0.034 0.000 3.229 225 N HA 0.441 5.182 4.740 0.002 0.000 0.275 225 N C 0.208 175.691 175.510 -0.045 0.000 1.225 225 N CA -0.714 52.299 53.050 -0.062 0.000 1.119 225 N CB -0.088 38.356 38.487 -0.072 0.000 1.392 225 N HN 0.135 nan 8.380 nan 0.000 0.520 226 L N 2.183 123.411 121.223 0.008 0.000 2.543 226 L HA 0.019 4.360 4.340 0.002 0.000 0.285 226 L C 0.659 177.634 176.870 0.175 0.000 1.236 226 L CA 1.117 56.030 54.840 0.122 0.000 0.871 226 L CB 0.134 42.359 42.059 0.277 0.000 1.121 226 L HN 0.366 nan 8.230 nan 0.000 0.501 227 R N 1.413 122.026 120.500 0.189 0.000 2.532 227 R HA 0.421 4.762 4.340 0.002 0.000 0.297 227 R C -0.628 175.841 176.300 0.281 0.000 0.984 227 R CA -0.672 55.563 56.100 0.226 0.000 0.884 227 R CB 1.701 31.999 30.300 -0.004 0.000 1.182 227 R HN 0.571 nan 8.270 nan 0.000 0.442 228 S N 1.571 117.446 115.700 0.291 0.000 2.537 228 S HA 0.419 4.890 4.470 0.002 0.000 0.286 228 S C -0.229 174.427 174.600 0.093 0.000 1.299 228 S CA -0.110 58.158 58.200 0.114 0.000 1.067 228 S CB 1.071 64.289 63.200 0.029 0.000 0.864 228 S HN 0.691 nan 8.310 nan 0.000 0.494 229 A N 2.878 125.715 122.820 0.028 0.000 2.606 229 A HA 0.837 5.158 4.320 0.002 0.000 0.293 229 A C -1.261 176.369 177.584 0.077 0.000 1.082 229 A CA -0.666 51.337 52.037 -0.057 0.000 0.685 229 A CB 1.214 20.121 19.000 -0.155 0.000 1.284 229 A HN 0.791 nan 8.150 nan 0.000 0.408 230 I N 0.266 120.874 120.570 0.063 0.000 2.722 230 I HA 0.638 4.809 4.170 0.002 0.000 0.295 230 I C -1.205 175.026 176.117 0.191 0.000 1.161 230 I CA -0.126 61.313 61.300 0.232 0.000 1.032 230 I CB 2.443 40.531 38.000 0.146 0.000 1.244 230 I HN 0.604 nan 8.210 nan 0.000 0.421 231 T N 6.181 120.862 114.554 0.212 0.000 2.786 231 T HA 0.452 4.803 4.350 0.002 0.000 0.283 231 T C -0.808 173.697 174.700 -0.325 0.000 0.992 231 T CA -0.357 61.726 62.100 -0.028 0.000 0.954 231 T CB 1.535 70.374 68.868 -0.049 0.000 0.934 231 T HN 0.259 nan 8.240 nan 0.000 0.440 232 V N 5.188 124.849 119.914 -0.422 0.000 2.328 232 V HA 0.465 4.586 4.120 0.002 0.000 0.278 232 V C -0.340 175.435 176.094 -0.531 0.000 1.021 232 V CA -0.790 61.257 62.300 -0.423 0.000 0.838 232 V CB -0.149 31.396 31.823 -0.464 0.000 0.999 232 V HN 0.709 nan 8.190 nan 0.000 0.447 233 F N 5.179 125.028 119.950 -0.167 0.000 2.362 233 F HA 0.488 5.016 4.527 0.002 0.000 0.311 233 F C -1.766 173.917 175.800 -0.195 0.000 1.161 233 F CA -2.398 55.435 58.000 -0.277 0.000 1.085 233 F CB 0.077 38.928 39.000 -0.248 0.000 1.311 233 F HN 0.291 nan 8.300 nan 0.000 0.524 234 P HA -0.019 nan 4.420 nan 0.000 0.264 234 P C -0.957 176.375 177.300 0.053 0.000 1.183 234 P CA -0.081 62.918 63.100 -0.167 0.000 0.763 234 P CB 0.188 31.567 31.700 -0.535 0.000 0.807 235 Q N 3.506 123.330 119.800 0.039 0.000 2.492 235 Q HA 0.149 4.490 4.340 0.002 0.000 0.238 235 Q C -0.259 175.663 176.000 -0.129 0.000 1.045 235 Q CA -0.279 55.340 55.803 -0.308 0.000 0.934 235 Q CB 0.538 28.825 28.738 -0.752 0.000 1.276 235 Q HN 0.348 nan 8.270 nan 0.000 0.521 236 R N -0.097 120.289 120.500 -0.190 0.000 2.594 236 R HA 0.511 4.852 4.340 0.002 0.000 0.272 236 R C -0.702 175.544 176.300 -0.090 0.000 1.074 236 R CA 0.159 56.215 56.100 -0.074 0.000 1.105 236 R CB 0.813 31.058 30.300 -0.091 0.000 1.008 236 R HN 0.721 nan 8.270 nan 0.000 0.472 237 A N 3.502 126.307 122.820 -0.024 0.000 2.414 237 A HA 0.537 4.859 4.320 0.002 0.000 0.306 237 A C -2.544 175.033 177.584 -0.011 0.000 1.054 237 A CA -2.054 49.971 52.037 -0.020 0.000 0.724 237 A CB 1.479 20.496 19.000 0.028 0.000 1.267 237 A HN 0.402 nan 8.150 nan 0.000 0.418 238 P HA 0.230 nan 4.420 nan 0.000 0.264 238 P C 1.133 178.434 177.300 0.002 0.000 1.183 238 P CA 2.154 65.249 63.100 -0.008 0.000 0.763 238 P CB 0.586 32.283 31.700 -0.005 0.000 0.807 239 G N 1.783 110.583 108.800 0.000 0.000 2.186 239 G HA2 -0.308 3.654 3.960 0.002 0.000 0.266 239 G HA3 -0.308 3.654 3.960 0.002 0.000 0.266 239 G C 0.330 175.233 174.900 0.005 0.000 0.982 239 G CA 0.146 45.248 45.100 0.003 0.000 0.670 239 G HN 0.725 nan 8.290 nan 0.000 0.533 240 R N 0.235 120.738 120.500 0.006 0.000 2.740 240 R HA 0.580 4.921 4.340 0.002 0.000 0.282 240 R C 0.885 177.185 176.300 -0.000 0.000 0.969 240 R CA -0.054 56.050 56.100 0.006 0.000 0.918 240 R CB 0.967 31.279 30.300 0.019 0.000 1.175 240 R HN 0.310 nan 8.270 nan 0.000 0.464 241 G N 1.614 110.406 108.800 -0.015 0.000 2.664 241 G HA2 0.047 4.008 3.960 0.002 0.000 0.242 241 G HA3 0.047 4.008 3.960 0.002 0.000 0.242 241 G C -0.606 174.281 174.900 -0.021 0.000 1.225 241 G CA -0.354 44.734 45.100 -0.020 0.000 0.849 241 G HN 0.604 nan 8.290 nan 0.000 0.581 242 D N -0.630 119.772 120.400 0.005 0.000 2.294 242 D HA 0.370 5.011 4.640 0.002 0.000 0.250 242 D C -0.272 176.055 176.300 0.045 0.000 1.058 242 D CA -0.070 53.969 54.000 0.065 0.000 0.950 242 D CB 1.077 41.924 40.800 0.078 0.000 1.158 242 D HN 0.109 nan 8.370 nan 0.000 0.453 243 F N 1.101 121.077 119.950 0.044 0.000 2.396 243 F HA 0.352 4.880 4.527 0.002 0.000 0.343 243 F C 1.019 176.844 175.800 0.041 0.000 1.104 243 F CA 0.045 58.058 58.000 0.023 0.000 1.161 243 F CB 0.692 39.697 39.000 0.008 0.000 1.146 243 F HN -0.194 nan 8.300 nan 0.000 0.522 244 R N 3.515 124.133 120.500 0.197 0.000 2.668 244 R HA 0.495 4.836 4.340 0.002 0.000 0.272 244 R C -1.399 175.037 176.300 0.227 0.000 1.019 244 R CA -0.824 55.400 56.100 0.207 0.000 0.894 244 R CB 2.232 32.671 30.300 0.232 0.000 1.228 244 R HN 0.619 nan 8.270 nan 0.000 0.460 245 I N 1.863 122.554 120.570 0.203 0.000 2.330 245 I HA 0.172 4.343 4.170 0.002 0.000 0.289 245 I C 0.482 176.800 176.117 0.334 0.000 1.001 245 I CA -0.415 61.001 61.300 0.195 0.000 1.193 245 I CB 1.215 39.273 38.000 0.097 0.000 1.345 245 I HN 0.535 nan 8.210 nan 0.000 0.461 246 W N 3.562 124.902 121.300 0.065 0.000 2.402 246 W HA -0.066 4.595 4.660 0.002 0.000 0.286 246 W C 0.999 177.620 176.519 0.170 0.000 1.221 246 W CA 0.073 57.522 57.345 0.173 0.000 1.257 246 W CB -0.811 28.727 29.460 0.130 0.000 1.120 246 W HN 0.406 nan 8.180 nan 0.000 0.551 247 N N 0.039 118.898 118.700 0.265 0.000 2.416 247 N HA -0.011 4.730 4.740 0.002 0.000 0.246 247 N C 1.345 176.922 175.510 0.111 0.000 1.260 247 N CA 0.936 54.066 53.050 0.133 0.000 0.897 247 N CB 0.618 39.122 38.487 0.027 0.000 1.110 247 N HN -0.094 nan 8.380 nan 0.000 0.439 248 S N 0.301 116.057 115.700 0.092 0.000 2.436 248 S HA -0.006 4.465 4.470 0.002 0.000 0.228 248 S C 0.306 174.910 174.600 0.008 0.000 1.014 248 S CA 0.611 58.856 58.200 0.075 0.000 0.950 248 S CB 0.071 63.336 63.200 0.108 0.000 0.784 248 S HN 0.645 nan 8.310 nan 0.000 0.504 249 Q N -0.833 118.952 119.800 -0.025 0.000 2.456 249 Q HA 0.497 4.838 4.340 0.002 0.000 0.284 249 Q C 0.158 176.077 176.000 -0.136 0.000 1.061 249 Q CA -0.600 55.146 55.803 -0.095 0.000 0.799 249 Q CB 1.819 30.526 28.738 -0.051 0.000 1.445 249 Q HN 0.085 nan 8.270 nan 0.000 0.411 250 L N 0.000 121.115 121.223 -0.180 0.000 2.141 250 L HA 0.020 4.361 4.340 0.002 0.000 0.209 250 L C 0.398 177.126 176.870 -0.237 0.000 1.094 250 L CA 0.905 55.641 54.840 -0.174 0.000 0.763 250 L CB 0.121 42.073 42.059 -0.179 0.000 0.908 250 L HN 0.259 nan 8.230 nan 0.000 0.437 251 V N 0.884 120.564 119.914 -0.390 0.000 2.444 251 V HA 0.514 4.635 4.120 0.002 0.000 0.294 251 V C -0.374 175.171 176.094 -0.915 0.000 1.022 251 V CA -0.715 61.189 62.300 -0.660 0.000 0.850 251 V CB 1.720 33.020 31.823 -0.871 0.000 0.992 251 V HN 0.166 nan 8.190 nan 0.000 0.426 252 R N 2.674 122.790 120.500 -0.641 0.000 2.707 252 R HA 0.499 4.840 4.340 0.002 0.000 0.272 252 R C -1.813 174.307 176.300 -0.301 0.000 1.011 252 R CA -0.817 55.041 56.100 -0.402 0.000 0.893 252 R CB 2.063 32.280 30.300 -0.139 0.000 1.233 252 R HN 0.556 nan 8.270 nan 0.000 0.464 253 Y N 0.307 120.609 120.300 0.003 0.000 2.310 253 Y HA 0.498 5.049 4.550 0.002 0.000 0.326 253 Y C 1.019 176.893 175.900 -0.042 0.000 1.151 253 Y CA -0.653 57.454 58.100 0.013 0.000 1.195 253 Y CB 1.158 39.674 38.460 0.095 0.000 1.210 253 Y HN 0.710 nan 8.280 nan 0.000 0.483 254 A N 1.649 124.515 122.820 0.077 0.000 2.448 254 A HA 0.542 4.863 4.320 0.002 0.000 0.239 254 A C 0.586 177.962 177.584 -0.347 0.000 1.080 254 A CA 0.347 52.269 52.037 -0.191 0.000 0.779 254 A CB -0.269 18.558 19.000 -0.290 0.000 1.026 254 A HN 0.966 nan 8.150 nan 0.000 0.499 255 G N 0.375 108.921 108.800 -0.423 0.000 2.805 255 G HA2 0.537 4.498 3.960 0.002 0.000 0.283 255 G HA3 0.537 4.498 3.960 0.002 0.000 0.283 255 G C -1.095 173.632 174.900 -0.288 0.000 1.508 255 G CA -0.283 44.627 45.100 -0.318 0.000 1.042 255 G HN 0.545 nan 8.290 nan 0.000 0.543 256 Y N 2.074 122.385 120.300 0.018 0.000 2.367 256 Y HA 0.411 4.962 4.550 0.002 0.000 0.342 256 Y C 1.157 177.056 175.900 -0.002 0.000 0.979 256 Y CA -1.040 57.072 58.100 0.020 0.000 1.161 256 Y CB 1.251 39.718 38.460 0.013 0.000 1.155 256 Y HN 0.200 nan 8.280 nan 0.000 0.503 257 R N 4.143 124.730 120.500 0.144 0.000 2.370 257 R HA 0.151 4.492 4.340 0.002 0.000 0.309 257 R C -0.347 175.997 176.300 0.073 0.000 1.059 257 R CA 0.085 56.233 56.100 0.080 0.000 0.981 257 R CB 0.583 30.918 30.300 0.058 0.000 0.972 257 R HN 0.816 nan 8.270 nan 0.000 0.437 258 Q N 1.259 121.089 119.800 0.049 0.000 3.105 258 Q HA 0.202 4.543 4.340 0.002 0.000 0.280 258 Q C 0.677 176.686 176.000 0.016 0.000 1.042 258 Q CA -1.014 54.806 55.803 0.029 0.000 0.857 258 Q CB 1.041 29.793 28.738 0.024 0.000 1.468 258 Q HN 0.444 nan 8.270 nan 0.000 0.494 259 Q N 1.147 120.951 119.800 0.006 0.000 2.729 259 Q HA -0.273 4.068 4.340 0.002 0.000 0.483 259 Q C 0.324 176.328 176.000 0.006 0.000 0.499 259 Q CA 2.247 58.051 55.803 0.003 0.000 1.009 259 Q CB -0.943 27.796 28.738 0.001 0.000 1.892 259 Q HN 0.891 nan 8.270 nan 0.000 1.125 260 D N 0.605 121.008 120.400 0.006 0.000 3.032 260 D HA 0.207 4.848 4.640 0.002 0.000 0.241 260 D C 1.044 177.350 176.300 0.010 0.000 1.196 260 D CA 0.759 54.763 54.000 0.007 0.000 0.927 260 D CB -0.190 40.613 40.800 0.006 0.000 1.129 260 D HN 0.763 nan 8.370 nan 0.000 0.458 261 G N 0.901 109.709 108.800 0.013 0.000 2.304 261 G HA2 -0.382 3.579 3.960 0.002 0.000 0.252 261 G HA3 -0.382 3.579 3.960 0.002 0.000 0.252 261 G C 0.643 175.552 174.900 0.015 0.000 1.014 261 G CA 0.521 45.630 45.100 0.016 0.000 0.619 261 G HN 0.860 nan 8.290 nan 0.000 0.525 262 S N -0.717 114.990 115.700 0.012 0.000 2.572 262 S HA 0.466 4.937 4.470 0.002 0.000 0.262 262 S C 0.150 174.754 174.600 0.007 0.000 1.375 262 S CA 0.437 58.641 58.200 0.007 0.000 0.996 262 S CB 1.801 65.004 63.200 0.005 0.000 0.892 262 S HN 1.362 nan 8.310 nan 0.000 0.562 263 V N 1.031 120.940 119.914 -0.009 0.000 2.760 263 V HA 0.529 4.650 4.120 0.002 0.000 0.309 263 V C -0.072 175.997 176.094 -0.041 0.000 1.077 263 V CA -0.849 61.442 62.300 -0.016 0.000 0.910 263 V CB 1.818 33.615 31.823 -0.043 0.000 1.008 263 V HN 0.957 nan 8.190 nan 0.000 0.424 264 R N 2.355 122.860 120.500 0.008 0.000 2.255 264 R HA 0.681 5.022 4.340 0.002 0.000 0.326 264 R C 0.519 176.777 176.300 -0.069 0.000 0.986 264 R CA 0.922 57.025 56.100 0.006 0.000 0.847 264 R CB 1.078 31.450 30.300 0.120 0.000 1.111 264 R HN 1.275 nan 8.270 nan 0.000 0.452 265 G N 2.934 111.591 108.800 -0.238 0.000 2.445 265 G HA2 -0.238 3.724 3.960 0.002 0.000 0.212 265 G HA3 -0.238 3.724 3.960 0.002 0.000 0.212 265 G C -1.381 173.138 174.900 -0.635 0.000 1.217 265 G CA -0.214 44.670 45.100 -0.361 0.000 1.002 265 G HN 0.618 nan 8.290 nan 0.000 0.574 266 D N 1.407 121.590 120.400 -0.363 0.000 2.347 266 D HA 0.566 5.207 4.640 0.002 0.000 0.235 266 D C -1.028 175.188 176.300 -0.140 0.000 1.149 266 D CA -2.009 51.829 54.000 -0.269 0.000 0.850 266 D CB 1.491 42.438 40.800 0.246 0.000 1.061 266 D HN -0.016 nan 8.370 nan 0.000 0.487 267 P HA -0.097 nan 4.420 nan 0.000 0.219 267 P C 0.865 178.178 177.300 0.021 0.000 1.146 267 P CA 0.971 64.038 63.100 -0.055 0.000 0.808 267 P CB 0.279 31.954 31.700 -0.042 0.000 0.779 268 A N -0.585 122.271 122.820 0.060 0.000 2.121 268 A HA -0.107 4.214 4.320 0.002 0.000 0.218 268 A C 1.521 179.163 177.584 0.097 0.000 1.154 268 A CA 1.264 53.367 52.037 0.109 0.000 0.679 268 A CB -0.817 18.273 19.000 0.150 0.000 0.795 268 A HN 0.156 nan 8.150 nan 0.000 0.458 269 N N -0.257 118.482 118.700 0.064 0.000 2.273 269 N HA 0.155 4.896 4.740 0.002 0.000 0.231 269 N C 1.065 176.572 175.510 -0.005 0.000 1.134 269 N CA 0.149 53.221 53.050 0.038 0.000 0.856 269 N CB 0.647 39.153 38.487 0.032 0.000 1.068 269 N HN 0.197 nan 8.380 nan 0.000 0.510 270 V N 0.973 120.889 119.914 0.004 0.000 2.255 270 V HA -0.252 3.869 4.120 0.002 0.000 0.247 270 V C 2.432 178.525 176.094 -0.002 0.000 1.051 270 V CA 1.816 64.115 62.300 -0.002 0.000 1.018 270 V CB -0.340 31.494 31.823 0.018 0.000 0.641 270 V HN 0.376 nan 8.190 nan 0.000 0.445 271 E N -0.367 119.838 120.200 0.007 0.000 2.058 271 E HA -0.283 4.068 4.350 0.002 0.000 0.194 271 E C 2.115 178.630 176.600 -0.140 0.000 0.997 271 E CA 1.925 58.303 56.400 -0.036 0.000 0.801 271 E CB -0.187 29.533 29.700 0.033 0.000 0.746 271 E HN 0.507 nan 8.360 nan 0.000 0.450 272 I N 0.514 121.012 120.570 -0.121 0.000 2.315 272 I HA -0.188 3.983 4.170 0.002 0.000 0.248 272 I C 2.068 178.118 176.117 -0.111 0.000 1.117 272 I CA 1.475 62.676 61.300 -0.165 0.000 1.404 272 I CB -0.347 37.604 38.000 -0.081 0.000 1.071 272 I HN 0.065 nan 8.210 nan 0.000 0.419 273 T N 0.472 114.989 114.554 -0.062 0.000 2.746 273 T HA -0.180 4.171 4.350 0.002 0.000 0.267 273 T C 1.734 176.497 174.700 0.105 0.000 1.039 273 T CA 1.858 63.960 62.100 0.004 0.000 1.142 273 T CB -0.263 68.596 68.868 -0.015 0.000 0.866 273 T HN 0.478 nan 8.240 nan 0.000 0.444 274 E N 0.704 120.938 120.200 0.056 0.000 2.077 274 E HA -0.037 4.314 4.350 0.002 0.000 0.193 274 E C 2.252 178.888 176.600 0.060 0.000 0.989 274 E CA 0.790 57.234 56.400 0.074 0.000 0.800 274 E CB -0.283 29.437 29.700 0.033 0.000 0.746 274 E HN 0.401 nan 8.360 nan 0.000 0.452 275 L N 0.431 121.644 121.223 -0.017 0.000 2.083 275 L HA -0.234 4.107 4.340 0.002 0.000 0.209 275 L C 2.591 179.522 176.870 0.103 0.000 1.083 275 L CA 0.769 55.617 54.840 0.014 0.000 0.752 275 L CB -0.387 41.585 42.059 -0.144 0.000 0.899 275 L HN 0.325 nan 8.230 nan 0.000 0.433 276 C N -0.107 119.211 119.300 0.031 0.000 2.429 276 C HA -0.148 4.313 4.460 0.002 0.000 0.277 276 C C 2.718 177.860 174.990 0.253 0.000 1.262 276 C CA 0.488 59.532 59.018 0.043 0.000 1.733 276 C CB -0.607 27.050 27.740 -0.138 0.000 2.010 276 C HN 0.424 nan 8.230 nan 0.000 0.483 277 I N 0.407 121.169 120.570 0.319 0.000 2.226 277 I HA -0.269 3.902 4.170 0.002 0.000 0.245 277 I C 2.757 178.961 176.117 0.146 0.000 1.100 277 I CA 1.612 63.080 61.300 0.279 0.000 1.374 277 I CB -0.726 37.405 38.000 0.219 0.000 1.057 277 I HN 0.468 nan 8.210 nan 0.000 0.413 278 Q N 0.536 120.405 119.800 0.115 0.000 2.234 278 Q HA -0.236 4.105 4.340 0.002 0.000 0.206 278 Q C 1.054 177.011 176.000 -0.072 0.000 0.980 278 Q CA 1.588 57.402 55.803 0.019 0.000 0.869 278 Q CB 0.005 28.751 28.738 0.013 0.000 0.912 278 Q HN 0.585 nan 8.270 nan 0.000 0.436 279 H N -1.593 117.465 119.070 -0.020 0.000 2.568 279 H HA 0.281 4.838 4.556 0.002 0.000 0.302 279 H C 0.515 175.820 175.328 -0.039 0.000 1.065 279 H CA 0.639 56.649 56.048 -0.063 0.000 1.140 279 H CB 0.634 30.313 29.762 -0.138 0.000 1.474 279 H HN 0.464 nan 8.280 nan 0.000 0.545 280 G N -0.373 108.468 108.800 0.068 0.000 2.141 280 G HA2 -0.263 3.699 3.960 0.002 0.000 0.231 280 G HA3 -0.263 3.699 3.960 0.002 0.000 0.231 280 G C -0.105 174.870 174.900 0.125 0.000 0.984 280 G CA -0.124 45.007 45.100 0.053 0.000 0.660 280 G HN 0.402 nan 8.290 nan 0.000 0.525 281 W N 2.177 123.460 121.300 -0.028 0.000 2.287 281 W HA 0.653 5.314 4.660 0.002 0.000 0.313 281 W C 0.278 176.793 176.519 -0.007 0.000 1.267 281 W CA -0.050 57.282 57.345 -0.022 0.000 1.201 281 W CB 0.949 30.405 29.460 -0.007 0.000 1.196 281 W HN 0.036 nan 8.180 nan 0.000 0.536 282 T N 9.664 123.910 114.554 -0.513 0.000 2.863 282 T HA 0.162 4.513 4.350 0.002 0.000 0.299 282 T C -1.999 172.009 174.700 -1.154 0.000 0.973 282 T CA -0.859 60.893 62.100 -0.579 0.000 0.994 282 T CB 0.071 68.738 68.868 -0.335 0.000 0.961 282 T HN 0.238 nan 8.240 nan 0.000 0.552 283 P HA 0.214 nan 4.420 nan 0.000 0.270 283 P C 0.483 177.369 177.300 -0.690 0.000 1.223 283 P CA -0.186 62.197 63.100 -1.195 0.000 0.785 283 P CB 0.805 32.198 31.700 -0.512 0.000 0.923 284 G N 0.902 109.454 108.800 -0.413 0.000 2.606 284 G HA2 0.336 4.297 3.960 0.002 0.000 0.262 284 G HA3 0.336 4.297 3.960 0.002 0.000 0.262 284 G C 0.214 174.846 174.900 -0.447 0.000 1.394 284 G CA -0.514 44.463 45.100 -0.205 0.000 1.044 284 G HN 0.711 nan 8.290 nan 0.000 0.553 285 N N -0.918 117.647 118.700 -0.225 0.000 2.381 285 N HA 0.206 4.947 4.740 0.002 0.000 0.257 285 N C 0.248 175.757 175.510 -0.002 0.000 1.409 285 N CA 0.102 52.979 53.050 -0.288 0.000 0.836 285 N CB 0.430 38.771 38.487 -0.244 0.000 1.384 285 N HN 0.694 nan 8.380 nan 0.000 0.490 286 G N 0.261 109.162 108.800 0.169 0.000 2.705 286 G HA2 0.417 4.378 3.960 0.002 0.000 0.299 286 G HA3 0.417 4.378 3.960 0.002 0.000 0.299 286 G C 0.459 175.454 174.900 0.158 0.000 1.315 286 G CA -0.709 44.486 45.100 0.158 0.000 1.045 286 G HN 0.103 nan 8.290 nan 0.000 0.517 287 R N -1.308 119.206 120.500 0.024 0.000 2.210 287 R HA 0.134 4.475 4.340 0.002 0.000 0.203 287 R C -0.114 175.812 176.300 -0.624 0.000 1.010 287 R CA 0.701 56.636 56.100 -0.275 0.000 1.008 287 R CB 0.157 30.223 30.300 -0.391 0.000 0.923 287 R HN 0.382 nan 8.270 nan 0.000 0.469 288 F N 1.022 120.913 119.950 -0.097 0.000 2.597 288 F HA 0.262 4.790 4.527 0.002 0.000 0.336 288 F C -0.701 175.036 175.800 -0.105 0.000 1.432 288 F CA -1.065 56.631 58.000 -0.507 0.000 1.120 288 F CB 0.653 39.153 39.000 -0.833 0.000 1.253 288 F HN -0.289 nan 8.300 nan 0.000 0.546 289 D N 1.713 122.264 120.400 0.252 0.000 2.316 289 D HA 0.185 4.826 4.640 0.002 0.000 0.245 289 D C 0.221 176.769 176.300 0.413 0.000 1.171 289 D CA 0.095 54.311 54.000 0.360 0.000 0.856 289 D CB 2.251 43.311 40.800 0.433 0.000 1.090 289 D HN -0.040 nan 8.370 nan 0.000 0.476 290 V N 3.793 123.930 119.914 0.372 0.000 2.540 290 V HA -0.022 4.099 4.120 0.002 0.000 0.297 290 V C 1.028 177.151 176.094 0.048 0.000 1.024 290 V CA -0.145 62.263 62.300 0.179 0.000 1.105 290 V CB 0.261 32.141 31.823 0.094 0.000 0.938 290 V HN 0.340 nan 8.190 nan 0.000 0.482 291 L N 8.145 129.295 121.223 -0.122 0.000 2.453 291 L HA 0.370 4.712 4.340 0.002 0.000 0.261 291 L C -1.675 174.965 176.870 -0.383 0.000 1.179 291 L CA -1.326 53.295 54.840 -0.366 0.000 0.813 291 L CB 0.869 42.722 42.059 -0.343 0.000 1.110 291 L HN 0.503 nan 8.230 nan 0.000 0.466 292 P HA 0.291 nan 4.420 nan 0.000 0.280 292 P C -1.216 175.914 177.300 -0.285 0.000 1.272 292 P CA -0.577 62.275 63.100 -0.412 0.000 0.819 292 P CB 1.165 32.492 31.700 -0.622 0.000 1.122 293 L N 0.726 121.874 121.223 -0.126 0.000 2.325 293 L HA 0.431 4.772 4.340 0.002 0.000 0.279 293 L C 0.392 177.230 176.870 -0.053 0.000 1.054 293 L CA -0.831 53.979 54.840 -0.051 0.000 0.804 293 L CB 0.742 42.839 42.059 0.064 0.000 1.200 293 L HN 0.207 nan 8.230 nan 0.000 0.436 294 L N 4.831 126.002 121.223 -0.087 0.000 2.301 294 L HA 0.468 4.809 4.340 0.002 0.000 0.278 294 L C -0.714 176.060 176.870 -0.161 0.000 1.022 294 L CA -0.231 54.476 54.840 -0.221 0.000 0.854 294 L CB 1.013 42.842 42.059 -0.384 0.000 1.226 294 L HN 0.438 nan 8.230 nan 0.000 0.429 295 L N 3.755 124.938 121.223 -0.066 0.000 2.317 295 L HA 0.525 4.866 4.340 0.002 0.000 0.281 295 L C -0.264 176.548 176.870 -0.096 0.000 1.024 295 L CA -0.405 54.408 54.840 -0.044 0.000 0.810 295 L CB 1.824 43.858 42.059 -0.043 0.000 1.240 295 L HN 0.557 nan 8.230 nan 0.000 0.427 296 Q N 2.477 122.243 119.800 -0.058 0.000 2.325 296 Q HA 0.672 5.013 4.340 0.002 0.000 0.270 296 Q C -1.141 174.813 176.000 -0.076 0.000 1.020 296 Q CA -0.588 55.183 55.803 -0.055 0.000 0.785 296 Q CB 2.211 30.991 28.738 0.069 0.000 1.259 296 Q HN 0.791 nan 8.270 nan 0.000 0.452 297 A N 4.933 127.662 122.820 -0.151 0.000 2.286 297 A HA 0.628 4.949 4.320 0.002 0.000 0.286 297 A C -2.399 174.945 177.584 -0.399 0.000 1.097 297 A CA -1.601 50.206 52.037 -0.384 0.000 0.821 297 A CB 0.101 18.963 19.000 -0.230 0.000 1.076 297 A HN 0.636 nan 8.150 nan 0.000 0.490 298 P HA -0.022 nan 4.420 nan 0.000 0.259 298 P C -0.549 176.651 177.300 -0.167 0.000 1.163 298 P CA 0.924 63.808 63.100 -0.359 0.000 0.760 298 P CB 0.098 31.567 31.700 -0.386 0.000 0.762 299 D N 0.072 120.423 120.400 -0.082 0.000 2.882 299 D HA -0.185 4.456 4.640 0.002 0.000 0.229 299 D C 0.047 176.333 176.300 -0.022 0.000 1.167 299 D CA 1.338 55.320 54.000 -0.030 0.000 0.759 299 D CB -0.439 40.345 40.800 -0.027 0.000 1.088 299 D HN 0.449 nan 8.370 nan 0.000 0.425 300 E N -0.761 119.420 120.200 -0.031 0.000 2.336 300 E HA 0.693 5.044 4.350 0.002 0.000 0.267 300 E C -0.004 176.592 176.600 -0.007 0.000 0.906 300 E CA -0.784 55.601 56.400 -0.025 0.000 0.781 300 E CB 1.613 31.282 29.700 -0.052 0.000 1.261 300 E HN 0.112 nan 8.360 nan 0.000 0.436 301 A N 2.676 125.490 122.820 -0.010 0.000 2.407 301 A HA 0.415 4.736 4.320 0.002 0.000 0.248 301 A C -2.013 175.490 177.584 -0.135 0.000 1.082 301 A CA -0.920 51.105 52.037 -0.019 0.000 0.785 301 A CB -0.456 18.552 19.000 0.013 0.000 1.020 301 A HN 0.291 nan 8.150 nan 0.000 0.489 302 P HA 0.199 nan 4.420 nan 0.000 0.271 302 P C -0.658 176.407 177.300 -0.392 0.000 1.218 302 P CA 0.098 62.861 63.100 -0.562 0.000 0.780 302 P CB 0.780 31.651 31.700 -1.382 0.000 0.901 303 E N 0.695 120.738 120.200 -0.262 0.000 2.207 303 E HA 0.431 4.782 4.350 0.002 0.000 0.270 303 E C -0.773 175.602 176.600 -0.375 0.000 0.927 303 E CA -1.061 55.176 56.400 -0.271 0.000 0.799 303 E CB 1.421 31.020 29.700 -0.168 0.000 1.172 303 E HN 0.277 nan 8.360 nan 0.000 0.404 304 L N 3.064 123.955 121.223 -0.554 0.000 2.292 304 L HA 0.441 4.782 4.340 0.002 0.000 0.284 304 L C -1.616 174.749 176.870 -0.842 0.000 1.065 304 L CA 0.116 54.661 54.840 -0.491 0.000 0.806 304 L CB 0.152 42.034 42.059 -0.295 0.000 1.175 304 L HN 0.397 nan 8.230 nan 0.000 0.431 305 F N 4.201 123.933 119.950 -0.364 0.000 2.557 305 F HA 0.476 5.004 4.527 0.002 0.000 0.316 305 F C -0.319 175.250 175.800 -0.384 0.000 1.141 305 F CA -0.897 56.755 58.000 -0.580 0.000 0.922 305 F CB 1.835 40.139 39.000 -1.159 0.000 1.194 305 F HN 0.022 nan 8.300 nan 0.000 0.443 306 V N 4.680 124.526 119.914 -0.114 0.000 2.432 306 V HA 0.286 4.407 4.120 0.002 0.000 0.275 306 V C 0.194 176.395 176.094 0.179 0.000 1.043 306 V CA -0.715 61.601 62.300 0.027 0.000 0.925 306 V CB 1.371 33.241 31.823 0.077 0.000 0.985 306 V HN 0.547 nan 8.190 nan 0.000 0.466 307 L N 7.307 128.648 121.223 0.196 0.000 2.410 307 L HA 0.276 4.617 4.340 0.002 0.000 0.273 307 L C -2.090 174.883 176.870 0.172 0.000 1.152 307 L CA -1.494 53.493 54.840 0.245 0.000 0.855 307 L CB 0.600 42.737 42.059 0.130 0.000 1.129 307 L HN 0.441 nan 8.230 nan 0.000 0.463 308 P HA 0.037 nan 4.420 nan 0.000 0.261 308 P C -1.983 175.365 177.300 0.080 0.000 1.203 308 P CA -0.822 62.346 63.100 0.115 0.000 0.767 308 P CB 0.373 32.127 31.700 0.090 0.000 0.785 309 P HA -0.261 nan 4.420 nan 0.000 0.218 309 P C 1.373 178.705 177.300 0.052 0.000 1.152 309 P CA 1.440 64.582 63.100 0.070 0.000 0.857 309 P CB -0.166 31.578 31.700 0.074 0.000 0.787 310 E N -0.744 119.483 120.200 0.045 0.000 2.409 310 E HA -0.131 4.221 4.350 0.002 0.000 0.198 310 E C 1.528 178.143 176.600 0.026 0.000 1.024 310 E CA 0.948 57.367 56.400 0.032 0.000 0.861 310 E CB -0.897 28.818 29.700 0.026 0.000 0.788 310 E HN 0.238 nan 8.360 nan 0.000 0.521 311 L N 0.817 122.056 121.223 0.028 0.000 2.375 311 L HA 0.072 4.413 4.340 0.002 0.000 0.215 311 L C 0.703 177.587 176.870 0.024 0.000 1.108 311 L CA 0.497 55.348 54.840 0.018 0.000 0.830 311 L CB 0.504 42.567 42.059 0.006 0.000 0.959 311 L HN -0.115 nan 8.230 nan 0.000 0.457 312 V N 1.650 121.582 119.914 0.029 0.000 2.304 312 V HA 0.181 4.302 4.120 0.002 0.000 0.262 312 V C 0.012 176.134 176.094 0.046 0.000 1.061 312 V CA -0.803 61.514 62.300 0.028 0.000 0.872 312 V CB 0.816 32.649 31.823 0.017 0.000 1.077 312 V HN -0.008 nan 8.190 nan 0.000 0.480 313 L N 5.606 126.860 121.223 0.053 0.000 2.410 313 L HA 0.423 4.764 4.340 0.002 0.000 0.273 313 L C 0.202 177.110 176.870 0.063 0.000 1.152 313 L CA 0.797 55.663 54.840 0.044 0.000 0.855 313 L CB 0.377 42.458 42.059 0.037 0.000 1.129 313 L HN 0.663 nan 8.230 nan 0.000 0.463 314 E N 3.154 123.369 120.200 0.025 0.000 2.369 314 E HA 0.594 4.945 4.350 0.002 0.000 0.270 314 E C -1.532 175.016 176.600 -0.086 0.000 0.909 314 E CA -1.014 55.401 56.400 0.026 0.000 0.775 314 E CB 2.477 32.223 29.700 0.076 0.000 1.270 314 E HN 0.347 nan 8.360 nan 0.000 0.445 315 V N 2.628 122.460 119.914 -0.135 0.000 2.409 315 V HA 0.291 4.412 4.120 0.002 0.000 0.290 315 V C -2.460 173.565 176.094 -0.115 0.000 1.017 315 V CA -1.985 60.172 62.300 -0.239 0.000 0.841 315 V CB 1.352 32.789 31.823 -0.644 0.000 1.003 315 V HN 0.516 nan 8.190 nan 0.000 0.426 316 P HA 0.237 nan 4.420 nan 0.000 0.271 316 P C -0.612 176.690 177.300 0.003 0.000 1.220 316 P CA 0.032 63.099 63.100 -0.055 0.000 0.768 316 P CB 0.499 32.175 31.700 -0.041 0.000 0.848 317 L N 4.202 125.459 121.223 0.056 0.000 2.276 317 L HA 0.456 4.797 4.340 0.002 0.000 0.286 317 L C 1.002 178.049 176.870 0.295 0.000 1.061 317 L CA -0.169 54.783 54.840 0.187 0.000 0.807 317 L CB 0.592 42.822 42.059 0.286 0.000 1.177 317 L HN 0.484 nan 8.230 nan 0.000 0.429 318 E N 1.865 122.231 120.200 0.277 0.000 2.429 318 E HA 0.429 4.780 4.350 0.002 0.000 0.276 318 E C -1.367 175.316 176.600 0.138 0.000 0.953 318 E CA -0.963 55.619 56.400 0.303 0.000 0.787 318 E CB 2.346 32.166 29.700 0.200 0.000 1.307 318 E HN 0.448 nan 8.360 nan 0.000 0.458 319 H N 0.736 119.725 119.070 -0.135 0.000 2.472 319 H HA 0.267 4.824 4.556 0.002 0.000 0.338 319 H C -2.009 173.035 175.328 -0.472 0.000 1.133 319 H CA -2.156 53.634 56.048 -0.431 0.000 1.216 319 H CB 2.036 31.414 29.762 -0.640 0.000 1.497 319 H HN 0.327 nan 8.280 nan 0.000 0.500 320 P HA -0.129 nan 4.420 nan 0.000 0.216 320 P C 0.970 178.132 177.300 -0.230 0.000 1.150 320 P CA 2.334 64.966 63.100 -0.780 0.000 0.843 320 P CB 0.373 31.613 31.700 -0.766 0.000 0.787 321 T N -6.076 108.519 114.554 0.070 0.000 2.969 321 T HA 0.202 4.553 4.350 0.002 0.000 0.258 321 T C 0.575 175.209 174.700 -0.111 0.000 0.962 321 T CA -0.168 61.931 62.100 -0.001 0.000 0.903 321 T CB -0.560 68.311 68.868 0.006 0.000 1.177 321 T HN -0.096 nan 8.240 nan 0.000 0.511 322 L N 3.549 124.598 121.223 -0.289 0.000 2.356 322 L HA 0.339 4.680 4.340 0.002 0.000 0.282 322 L C 1.528 178.037 176.870 -0.602 0.000 1.132 322 L CA -0.608 53.800 54.840 -0.720 0.000 0.923 322 L CB 0.655 41.854 42.059 -1.434 0.000 1.278 322 L HN 0.312 nan 8.230 nan 0.000 0.436 323 E N 2.842 122.852 120.200 -0.316 0.000 2.136 323 E HA -0.282 4.069 4.350 0.002 0.000 0.202 323 E C 1.677 178.241 176.600 -0.061 0.000 1.019 323 E CA 1.968 58.297 56.400 -0.118 0.000 0.819 323 E CB -0.350 29.354 29.700 0.006 0.000 0.739 323 E HN 0.772 nan 8.360 nan 0.000 0.458 324 W N -0.257 121.087 121.300 0.072 0.000 2.595 324 W HA 0.117 4.778 4.660 0.002 0.000 0.257 324 W C 1.380 177.951 176.519 0.086 0.000 1.267 324 W CA -0.107 57.275 57.345 0.062 0.000 1.300 324 W CB -0.917 28.561 29.460 0.030 0.000 1.120 324 W HN -0.026 nan 8.180 nan 0.000 0.618 325 F N 3.075 122.817 119.950 -0.346 0.000 2.091 325 F HA -0.188 4.340 4.527 0.002 0.000 0.299 325 F C 2.763 178.600 175.800 0.062 0.000 1.103 325 F CA 3.244 61.153 58.000 -0.151 0.000 1.228 325 F CB -0.725 38.062 39.000 -0.354 0.000 0.984 325 F HN -0.072 nan 8.300 nan 0.000 0.477 326 A N 0.038 122.975 122.820 0.194 0.000 2.032 326 A HA -0.149 4.172 4.320 0.002 0.000 0.221 326 A C 2.285 179.908 177.584 0.065 0.000 1.165 326 A CA 1.652 53.769 52.037 0.133 0.000 0.645 326 A CB -1.511 17.559 19.000 0.117 0.000 0.807 326 A HN 0.481 nan 8.150 nan 0.000 0.453 327 A N -0.470 122.404 122.820 0.091 0.000 2.178 327 A HA 0.065 4.386 4.320 0.002 0.000 0.218 327 A C 1.918 179.529 177.584 0.045 0.000 1.157 327 A CA 1.141 53.227 52.037 0.082 0.000 0.689 327 A CB -0.537 18.541 19.000 0.129 0.000 0.787 327 A HN 0.512 nan 8.150 nan 0.000 0.465 328 L N -1.250 119.965 121.223 -0.014 0.000 2.376 328 L HA 0.044 4.385 4.340 0.002 0.000 0.219 328 L C 1.812 178.682 176.870 -0.000 0.000 1.133 328 L CA 0.603 55.412 54.840 -0.051 0.000 0.816 328 L CB -0.567 41.352 42.059 -0.233 0.000 0.933 328 L HN 0.570 nan 8.230 nan 0.000 0.449 329 G N 0.830 109.628 108.800 -0.004 0.000 2.198 329 G HA2 -0.284 3.677 3.960 0.002 0.000 0.260 329 G HA3 -0.284 3.677 3.960 0.002 0.000 0.260 329 G C 0.180 175.052 174.900 -0.048 0.000 1.025 329 G CA 0.004 45.111 45.100 0.010 0.000 0.769 329 G HN 0.249 nan 8.290 nan 0.000 0.507 330 L N -0.387 120.781 121.223 -0.092 0.000 2.418 330 L HA 0.804 5.145 4.340 0.002 0.000 0.265 330 L C 1.112 177.744 176.870 -0.396 0.000 1.143 330 L CA -0.593 54.116 54.840 -0.219 0.000 0.809 330 L CB 0.958 43.008 42.059 -0.014 0.000 1.124 330 L HN 0.588 nan 8.230 nan 0.000 0.456 331 R N 1.031 121.090 120.500 -0.735 0.000 2.728 331 R HA 0.496 4.837 4.340 0.002 0.000 0.274 331 R C -2.156 174.082 176.300 -0.103 0.000 1.030 331 R CA -1.040 54.815 56.100 -0.408 0.000 0.876 331 R CB 1.668 31.674 30.300 -0.491 0.000 1.259 331 R HN 0.647 nan 8.270 nan 0.000 0.468 332 W N 1.442 122.718 121.300 -0.041 0.000 3.248 332 W HA 0.327 4.989 4.660 0.002 0.000 0.311 332 W C -1.315 175.298 176.519 0.157 0.000 1.258 332 W CA -0.955 56.470 57.345 0.133 0.000 1.191 332 W CB 1.828 31.265 29.460 -0.038 0.000 1.389 332 W HN 0.692 nan 8.180 nan 0.000 0.561 333 Y N 1.183 121.387 120.300 -0.159 0.000 2.326 333 Y HA 0.544 5.095 4.550 0.002 0.000 0.333 333 Y C 0.818 176.963 175.900 0.408 0.000 1.240 333 Y CA 0.165 58.279 58.100 0.022 0.000 1.365 333 Y CB 0.254 38.587 38.460 -0.212 0.000 1.289 333 Y HN 0.345 nan 8.280 nan 0.000 0.548 334 A N 2.295 125.399 122.820 0.472 0.000 2.016 334 A HA 0.079 4.400 4.320 0.002 0.000 0.217 334 A C 0.445 178.402 177.584 0.622 0.000 1.162 334 A CA 0.356 52.723 52.037 0.550 0.000 0.662 334 A CB -0.291 18.859 19.000 0.250 0.000 0.812 334 A HN 0.674 nan 8.150 nan 0.000 0.450 335 L N 1.943 123.488 121.223 0.538 0.000 2.276 335 L HA 0.429 4.770 4.340 0.002 0.000 0.286 335 L C -2.587 174.444 176.870 0.269 0.000 1.024 335 L CA -2.259 52.785 54.840 0.340 0.000 0.826 335 L CB 1.635 43.818 42.059 0.206 0.000 1.211 335 L HN -0.035 nan 8.230 nan 0.000 0.422 336 P HA 0.330 nan 4.420 nan 0.000 0.293 336 P C -1.319 175.891 177.300 -0.151 0.000 1.313 336 P CA -0.395 62.564 63.100 -0.235 0.000 0.787 336 P CB 1.531 32.689 31.700 -0.903 0.000 0.910 337 A N 4.444 127.178 122.820 -0.143 0.000 3.082 337 A HA 0.331 4.652 4.320 0.002 0.000 0.328 337 A C -0.117 177.227 177.584 -0.400 0.000 1.089 337 A CA -0.590 51.282 52.037 -0.275 0.000 0.802 337 A CB 0.279 19.148 19.000 -0.217 0.000 1.138 337 A HN 0.297 nan 8.150 nan 0.000 0.474 338 V N 2.221 121.766 119.914 -0.616 0.000 2.584 338 V HA 0.079 4.200 4.120 0.002 0.000 0.303 338 V C 1.344 177.066 176.094 -0.621 0.000 1.035 338 V CA 1.694 63.629 62.300 -0.609 0.000 1.172 338 V CB 0.826 32.187 31.823 -0.770 0.000 0.896 338 V HN 1.060 nan 8.190 nan 0.000 0.486 339 S N 1.679 117.212 115.700 -0.279 0.000 2.780 339 S HA 0.089 4.560 4.470 0.002 0.000 0.248 339 S C 0.695 175.286 174.600 -0.015 0.000 1.036 339 S CA 0.031 58.142 58.200 -0.148 0.000 1.061 339 S CB -0.370 62.772 63.200 -0.097 0.000 1.037 339 S HN 0.928 nan 8.310 nan 0.000 0.584 340 N N 0.466 119.167 118.700 0.002 0.000 2.204 340 N HA 0.323 5.064 4.740 0.002 0.000 0.219 340 N C 0.033 175.603 175.510 0.100 0.000 1.151 340 N CA -0.525 52.562 53.050 0.061 0.000 0.867 340 N CB 0.181 38.704 38.487 0.060 0.000 1.043 340 N HN 0.269 nan 8.380 nan 0.000 0.516 341 M N 1.287 120.965 119.600 0.129 0.000 2.444 341 M HA 0.347 4.828 4.480 0.002 0.000 0.319 341 M C -0.639 175.798 176.300 0.229 0.000 1.183 341 M CA -0.875 54.539 55.300 0.191 0.000 1.032 341 M CB 2.457 35.198 32.600 0.236 0.000 1.569 341 M HN 0.114 nan 8.290 nan 0.000 0.468 342 L N 2.602 123.941 121.223 0.192 0.000 2.309 342 L HA 0.539 4.880 4.340 0.002 0.000 0.282 342 L C -1.393 175.571 176.870 0.156 0.000 1.036 342 L CA -0.897 54.041 54.840 0.163 0.000 0.806 342 L CB 1.151 43.258 42.059 0.079 0.000 1.220 342 L HN 0.585 nan 8.230 nan 0.000 0.429 343 L N 5.254 126.558 121.223 0.135 0.000 2.272 343 L HA 0.466 4.808 4.340 0.002 0.000 0.289 343 L C -0.552 176.320 176.870 0.002 0.000 1.032 343 L CA 0.213 55.008 54.840 -0.075 0.000 0.810 343 L CB 1.164 43.168 42.059 -0.092 0.000 1.205 343 L HN 0.632 nan 8.230 nan 0.000 0.422 344 E N 6.495 126.614 120.200 -0.133 0.000 2.158 344 E HA 0.427 4.778 4.350 0.002 0.000 0.271 344 E C -1.609 174.897 176.600 -0.157 0.000 0.911 344 E CA -0.458 55.879 56.400 -0.105 0.000 0.767 344 E CB 1.234 30.870 29.700 -0.107 0.000 1.120 344 E HN 0.717 nan 8.360 nan 0.000 0.405 345 I N 2.547 123.027 120.570 -0.151 0.000 2.512 345 I HA 0.268 4.439 4.170 0.002 0.000 0.287 345 I C 0.811 176.692 176.117 -0.393 0.000 1.069 345 I CA -0.634 60.457 61.300 -0.348 0.000 1.056 345 I CB 2.043 39.798 38.000 -0.407 0.000 1.229 345 I HN 0.789 nan 8.210 nan 0.000 0.429 346 G N 4.110 112.701 108.800 -0.348 0.000 2.321 346 G HA2 -0.133 3.828 3.960 0.002 0.000 0.287 346 G HA3 -0.133 3.828 3.960 0.002 0.000 0.287 346 G C 1.033 175.988 174.900 0.091 0.000 1.018 346 G CA 0.799 45.883 45.100 -0.026 0.000 0.855 346 G HN 1.599 nan 8.290 nan 0.000 0.507 347 G N -2.027 106.767 108.800 -0.010 0.000 2.241 347 G HA2 -0.228 3.733 3.960 0.002 0.000 0.244 347 G HA3 -0.228 3.733 3.960 0.002 0.000 0.244 347 G C 0.503 175.337 174.900 -0.111 0.000 0.998 347 G CA 0.429 45.525 45.100 -0.007 0.000 0.621 347 G HN 1.261 nan 8.290 nan 0.000 0.519 348 L N 0.816 121.906 121.223 -0.221 0.000 2.375 348 L HA 0.612 4.953 4.340 0.002 0.000 0.271 348 L C 0.321 176.911 176.870 -0.467 0.000 1.107 348 L CA -0.386 54.195 54.840 -0.433 0.000 0.806 348 L CB 1.073 42.759 42.059 -0.621 0.000 1.146 348 L HN 0.195 nan 8.230 nan 0.000 0.447 349 E N 2.217 122.069 120.200 -0.580 0.000 2.199 349 E HA 0.394 4.745 4.350 0.002 0.000 0.265 349 E C -1.553 174.690 176.600 -0.595 0.000 0.882 349 E CA -0.441 55.699 56.400 -0.434 0.000 0.759 349 E CB 1.849 31.417 29.700 -0.219 0.000 1.148 349 E HN 0.255 nan 8.360 nan 0.000 0.412 350 F N 1.879 121.789 119.950 -0.067 0.000 2.311 350 F HA 0.112 4.640 4.527 0.002 0.000 0.371 350 F C 1.480 177.305 175.800 0.041 0.000 1.083 350 F CA -0.574 57.413 58.000 -0.021 0.000 1.113 350 F CB 1.242 40.212 39.000 -0.050 0.000 1.349 350 F HN 0.435 nan 8.300 nan 0.000 0.470 351 S N 1.394 117.195 115.700 0.168 0.000 2.507 351 S HA 0.201 4.672 4.470 0.002 0.000 0.235 351 S C 0.774 175.498 174.600 0.207 0.000 0.988 351 S CA 0.394 58.688 58.200 0.157 0.000 0.944 351 S CB -0.007 63.265 63.200 0.121 0.000 0.762 351 S HN 0.524 nan 8.310 nan 0.000 0.526 352 A N 0.385 123.372 122.820 0.279 0.000 2.457 352 A HA 0.822 5.143 4.320 0.002 0.000 0.283 352 A C -0.235 177.592 177.584 0.405 0.000 1.166 352 A CA -0.165 52.068 52.037 0.328 0.000 0.740 352 A CB 0.974 20.158 19.000 0.307 0.000 1.181 352 A HN 1.012 nan 8.150 nan 0.000 0.446 353 A N 4.087 127.089 122.820 0.302 0.000 3.422 353 A HA 0.634 4.955 4.320 0.002 0.000 0.271 353 A C -2.996 174.718 177.584 0.217 0.000 1.104 353 A CA -0.934 51.236 52.037 0.222 0.000 0.899 353 A CB 0.377 19.509 19.000 0.220 0.000 1.309 353 A HN 0.510 nan 8.150 nan 0.000 0.580 354 P HA 0.390 nan 4.420 nan 0.000 0.268 354 P C -0.731 176.555 177.300 -0.023 0.000 1.204 354 P CA 0.479 63.523 63.100 -0.092 0.000 0.768 354 P CB 0.268 31.872 31.700 -0.159 0.000 0.842 355 F N -0.029 119.860 119.950 -0.101 0.000 2.603 355 F HA 0.804 5.332 4.527 0.002 0.000 0.317 355 F C -0.635 175.091 175.800 -0.122 0.000 1.066 355 F CA -1.225 56.720 58.000 -0.092 0.000 0.941 355 F CB 1.640 40.468 39.000 -0.286 0.000 1.291 355 F HN 0.433 nan 8.300 nan 0.000 0.472 356 S N -0.081 115.729 115.700 0.184 0.000 2.565 356 S HA 0.894 5.365 4.470 0.002 0.000 0.269 356 S C -0.722 173.864 174.600 -0.024 0.000 1.153 356 S CA -0.187 58.052 58.200 0.065 0.000 0.835 356 S CB 1.404 64.698 63.200 0.157 0.000 1.122 356 S HN 1.487 nan 8.310 nan 0.000 0.462 357 G N -0.038 108.701 108.800 -0.102 0.000 3.009 357 G HA2 0.681 4.642 3.960 0.002 0.000 0.183 357 G HA3 0.681 4.642 3.960 0.002 0.000 0.183 357 G C -1.288 173.658 174.900 0.078 0.000 1.613 357 G CA 0.047 45.017 45.100 -0.216 0.000 0.910 357 G HN 1.333 nan 8.290 nan 0.000 0.785 358 W N -1.467 119.843 121.300 0.017 0.000 3.153 358 W HA 0.768 5.429 4.660 0.002 0.000 0.316 358 W C -1.855 174.674 176.519 0.017 0.000 1.255 358 W CA -2.135 55.236 57.345 0.043 0.000 1.192 358 W CB 0.273 29.797 29.460 0.107 0.000 1.400 358 W HN 0.340 nan 8.180 nan 0.000 0.568 359 Y N 2.841 123.328 120.300 0.311 0.000 2.397 359 Y HA 0.314 4.865 4.550 0.002 0.000 0.335 359 Y C 0.911 176.874 175.900 0.106 0.000 1.213 359 Y CA -0.427 57.742 58.100 0.115 0.000 1.391 359 Y CB 1.060 39.495 38.460 -0.043 0.000 1.293 359 Y HN 0.488 nan 8.280 nan 0.000 0.557 360 M N 2.111 121.862 119.600 0.253 0.000 2.238 360 M HA 0.203 4.684 4.480 0.002 0.000 0.350 360 M C 1.042 177.350 176.300 0.013 0.000 1.138 360 M CA -0.305 55.076 55.300 0.134 0.000 1.040 360 M CB 1.179 33.835 32.600 0.093 0.000 1.639 360 M HN 0.830 nan 8.290 nan 0.000 0.451 361 S N 1.298 116.966 115.700 -0.055 0.000 2.407 361 S HA -0.195 4.276 4.470 0.002 0.000 0.235 361 S C 1.444 175.914 174.600 -0.216 0.000 1.036 361 S CA 2.158 60.248 58.200 -0.183 0.000 1.013 361 S CB -1.338 61.790 63.200 -0.120 0.000 0.820 361 S HN 0.928 nan 8.310 nan 0.000 0.476 362 T N 0.049 114.502 114.554 -0.167 0.000 2.915 362 T HA 0.009 4.360 4.350 0.002 0.000 0.269 362 T C 1.553 176.103 174.700 -0.251 0.000 1.071 362 T CA 1.095 63.048 62.100 -0.245 0.000 1.132 362 T CB -0.554 68.128 68.868 -0.310 0.000 0.878 362 T HN 0.604 nan 8.240 nan 0.000 0.479 363 E N 0.983 121.059 120.200 -0.207 0.000 2.085 363 E HA -0.063 4.288 4.350 0.002 0.000 0.194 363 E C 2.011 178.359 176.600 -0.420 0.000 0.994 363 E CA 1.396 57.678 56.400 -0.196 0.000 0.801 363 E CB -0.310 29.410 29.700 0.033 0.000 0.743 363 E HN 0.596 nan 8.360 nan 0.000 0.453 364 I N 0.185 120.377 120.570 -0.631 0.000 2.368 364 I HA -0.047 4.124 4.170 0.002 0.000 0.238 364 I C 2.629 178.398 176.117 -0.581 0.000 1.076 364 I CA 0.870 61.626 61.300 -0.907 0.000 1.397 364 I CB -0.617 36.742 38.000 -1.068 0.000 1.141 364 I HN 0.100 nan 8.210 nan 0.000 0.430 365 G N 0.194 108.753 108.800 -0.401 0.000 2.450 365 G HA2 -0.186 3.775 3.960 0.002 0.000 0.220 365 G HA3 -0.186 3.775 3.960 0.002 0.000 0.220 365 G C 1.595 176.380 174.900 -0.193 0.000 1.130 365 G CA 1.635 46.592 45.100 -0.238 0.000 0.760 365 G HN 0.308 nan 8.290 nan 0.000 0.557 366 T N -0.158 114.258 114.554 -0.228 0.000 2.990 366 T HA 0.100 4.451 4.350 0.002 0.000 0.237 366 T C 2.534 177.124 174.700 -0.184 0.000 1.009 366 T CA 0.267 62.253 62.100 -0.190 0.000 1.195 366 T CB 0.054 68.792 68.868 -0.217 0.000 0.885 366 T HN 0.016 nan 8.240 nan 0.000 0.424 367 R N 2.021 122.393 120.500 -0.214 0.000 2.055 367 R HA 0.122 4.463 4.340 0.002 0.000 0.228 367 R C 2.157 178.338 176.300 -0.198 0.000 1.143 367 R CA 1.134 57.118 56.100 -0.192 0.000 0.945 367 R CB -1.187 29.004 30.300 -0.182 0.000 0.841 367 R HN 0.333 nan 8.270 nan 0.000 0.429 368 N N 0.995 119.523 118.700 -0.286 0.000 2.120 368 N HA -0.088 4.653 4.740 0.002 0.000 0.188 368 N C 1.986 177.409 175.510 -0.145 0.000 1.024 368 N CA 1.078 53.952 53.050 -0.293 0.000 0.852 368 N CB -0.264 37.723 38.487 -0.834 0.000 1.003 368 N HN 0.185 nan 8.380 nan 0.000 0.424 369 L N -0.802 120.293 121.223 -0.214 0.000 2.307 369 L HA 0.072 4.413 4.340 0.002 0.000 0.211 369 L C 1.377 178.275 176.870 0.047 0.000 1.099 369 L CA 0.429 55.246 54.840 -0.038 0.000 0.816 369 L CB 0.168 42.182 42.059 -0.075 0.000 0.952 369 L HN 0.165 nan 8.230 nan 0.000 0.455 370 C N -1.540 117.746 119.300 -0.023 0.000 3.065 370 C HA 0.169 4.630 4.460 0.002 0.000 0.285 370 C C 0.708 175.685 174.990 -0.023 0.000 1.257 370 C CA -0.908 58.109 59.018 -0.003 0.000 1.691 370 C CB -0.330 27.395 27.740 -0.026 0.000 2.089 370 C HN 0.293 nan 8.230 nan 0.000 0.630 371 D N 2.869 123.224 120.400 -0.075 0.000 2.472 371 D HA 0.045 4.686 4.640 0.002 0.000 0.237 371 D C -1.023 175.248 176.300 -0.048 0.000 1.141 371 D CA -1.303 52.630 54.000 -0.112 0.000 0.875 371 D CB 0.688 41.278 40.800 -0.351 0.000 1.192 371 D HN 0.189 nan 8.370 nan 0.000 0.450 372 P HA -0.168 nan 4.420 nan 0.000 0.217 372 P C 0.740 178.125 177.300 0.140 0.000 1.150 372 P CA 1.385 64.558 63.100 0.121 0.000 0.832 372 P CB -0.023 31.765 31.700 0.147 0.000 0.787 373 H N -2.108 116.975 119.070 0.022 0.000 2.524 373 H HA 0.332 4.889 4.556 0.002 0.000 0.280 373 H C 1.005 176.348 175.328 0.026 0.000 1.018 373 H CA -0.185 55.874 56.048 0.019 0.000 1.165 373 H CB -0.160 29.613 29.762 0.018 0.000 1.411 373 H HN 0.002 nan 8.280 nan 0.000 0.569 374 R N -0.164 120.243 120.500 -0.154 0.000 3.006 374 R HA 0.171 4.512 4.340 0.002 0.000 0.150 374 R C 1.145 177.432 176.300 -0.022 0.000 1.285 374 R CA -0.717 55.337 56.100 -0.077 0.000 0.813 374 R CB -0.865 29.401 30.300 -0.058 0.000 1.582 374 R HN 0.092 nan 8.270 nan 0.000 0.441 375 Y N 1.607 121.921 120.300 0.024 0.000 2.421 375 Y HA -0.114 4.437 4.550 0.002 0.000 0.292 375 Y C 0.753 176.679 175.900 0.043 0.000 1.136 375 Y CA 1.109 59.239 58.100 0.051 0.000 1.255 375 Y CB -0.423 38.107 38.460 0.116 0.000 0.991 375 Y HN 0.502 nan 8.280 nan 0.000 0.552 376 N N 0.705 119.494 118.700 0.149 0.000 2.699 376 N HA -0.235 4.506 4.740 0.002 0.000 0.256 376 N C 0.372 175.965 175.510 0.138 0.000 0.993 376 N CA 0.825 53.942 53.050 0.111 0.000 0.759 376 N CB -1.333 37.201 38.487 0.078 0.000 0.906 376 N HN 0.661 nan 8.380 nan 0.000 0.541 377 I N -3.581 117.088 120.570 0.165 0.000 3.793 377 I HA 0.067 4.238 4.170 0.002 0.000 0.315 377 I C 1.533 177.756 176.117 0.176 0.000 1.275 377 I CA -0.399 61.001 61.300 0.166 0.000 1.214 377 I CB -0.097 38.010 38.000 0.179 0.000 1.018 377 I HN 0.077 nan 8.210 nan 0.000 0.439 378 L N 1.895 123.227 121.223 0.182 0.000 1.978 378 L HA -0.256 4.085 4.340 0.002 0.000 0.218 378 L C 2.626 179.715 176.870 0.366 0.000 1.075 378 L CA 2.250 57.234 54.840 0.240 0.000 0.767 378 L CB -1.013 41.150 42.059 0.173 0.000 0.890 378 L HN 0.494 nan 8.230 nan 0.000 0.434 379 E N -1.119 119.295 120.200 0.356 0.000 2.110 379 E HA -0.235 4.116 4.350 0.002 0.000 0.193 379 E C 1.726 178.371 176.600 0.076 0.000 0.988 379 E CA 1.330 57.866 56.400 0.225 0.000 0.804 379 E CB 0.052 29.825 29.700 0.121 0.000 0.745 379 E HN 0.506 nan 8.360 nan 0.000 0.458 380 D N -0.131 120.320 120.400 0.084 0.000 2.097 380 D HA -0.142 4.499 4.640 0.002 0.000 0.195 380 D C 2.046 178.358 176.300 0.021 0.000 0.989 380 D CA 1.079 55.095 54.000 0.026 0.000 0.827 380 D CB -0.204 40.621 40.800 0.042 0.000 0.966 380 D HN 0.123 nan 8.370 nan 0.000 0.456 381 V N 1.477 121.467 119.914 0.127 0.000 2.407 381 V HA -0.203 3.918 4.120 0.002 0.000 0.248 381 V C 2.518 178.707 176.094 0.158 0.000 1.055 381 V CA 1.639 64.070 62.300 0.219 0.000 1.049 381 V CB -0.745 31.301 31.823 0.371 0.000 0.662 381 V HN 0.165 nan 8.190 nan 0.000 0.455 382 A N -0.118 122.801 122.820 0.166 0.000 1.902 382 A HA -0.146 4.175 4.320 0.002 0.000 0.217 382 A C 2.393 179.941 177.584 -0.060 0.000 1.181 382 A CA 2.012 54.128 52.037 0.132 0.000 0.623 382 A CB -0.654 18.471 19.000 0.208 0.000 0.818 382 A HN 0.331 nan 8.150 nan 0.000 0.443 383 V N -0.829 119.004 119.914 -0.135 0.000 2.343 383 V HA -0.308 3.813 4.120 0.002 0.000 0.247 383 V C 2.613 178.535 176.094 -0.287 0.000 1.051 383 V CA 2.014 64.194 62.300 -0.200 0.000 1.036 383 V CB -1.033 30.681 31.823 -0.182 0.000 0.654 383 V HN 0.709 nan 8.190 nan 0.000 0.451 384 C N -0.506 118.543 119.300 -0.419 0.000 2.435 384 C HA -0.109 4.352 4.460 0.002 0.000 0.279 384 C C 2.652 177.102 174.990 -0.900 0.000 1.321 384 C CA 0.915 59.405 59.018 -0.879 0.000 1.752 384 C CB -0.980 25.873 27.740 -1.478 0.000 1.959 384 C HN 0.526 nan 8.230 nan 0.000 0.500 385 M N 0.078 119.437 119.600 -0.403 0.000 2.595 385 M HA 0.013 4.494 4.480 0.002 0.000 0.248 385 M C 0.567 176.834 176.300 -0.056 0.000 1.119 385 M CA 0.830 56.111 55.300 -0.032 0.000 1.079 385 M CB -0.277 32.434 32.600 0.184 0.000 1.472 385 M HN 0.233 nan 8.290 nan 0.000 0.501 386 D N 1.757 122.071 120.400 -0.144 0.000 2.699 386 D HA -0.163 4.478 4.640 0.002 0.000 0.239 386 D C -0.825 175.439 176.300 -0.060 0.000 1.136 386 D CA 0.540 54.473 54.000 -0.111 0.000 0.668 386 D CB -1.019 39.725 40.800 -0.093 0.000 1.060 386 D HN 0.295 nan 8.370 nan 0.000 0.429 387 L N -0.206 120.987 121.223 -0.051 0.000 2.469 387 L HA 0.349 4.690 4.340 0.002 0.000 0.253 387 L C 1.073 177.890 176.870 -0.088 0.000 1.143 387 L CA -0.737 54.097 54.840 -0.009 0.000 0.804 387 L CB 0.497 42.611 42.059 0.092 0.000 1.214 387 L HN -0.025 nan 8.230 nan 0.000 0.476 388 D N 0.195 120.564 120.400 -0.050 0.000 2.468 388 D HA 0.042 4.683 4.640 0.002 0.000 0.218 388 D C 0.822 176.967 176.300 -0.258 0.000 1.155 388 D CA -0.218 53.719 54.000 -0.105 0.000 0.924 388 D CB 0.866 41.657 40.800 -0.015 0.000 1.029 388 D HN 0.577 nan 8.370 nan 0.000 0.515 389 T N 0.697 114.933 114.554 -0.529 0.000 3.169 389 T HA 0.083 4.434 4.350 0.002 0.000 0.250 389 T C 1.511 175.943 174.700 -0.447 0.000 1.111 389 T CA -0.013 61.458 62.100 -1.049 0.000 1.010 389 T CB 0.021 68.179 68.868 -1.183 0.000 0.984 389 T HN 0.252 nan 8.240 nan 0.000 0.537 390 R N 0.555 120.934 120.500 -0.202 0.000 2.115 390 R HA 0.114 4.455 4.340 0.002 0.000 0.226 390 R C 1.114 177.431 176.300 0.028 0.000 1.100 390 R CA 0.941 56.998 56.100 -0.072 0.000 0.980 390 R CB -0.122 30.148 30.300 -0.050 0.000 0.875 390 R HN 0.386 nan 8.270 nan 0.000 0.445 391 T N -1.437 113.175 114.554 0.097 0.000 2.903 391 T HA 0.131 4.482 4.350 0.002 0.000 0.299 391 T C 1.086 175.958 174.700 0.287 0.000 1.093 391 T CA -0.494 61.701 62.100 0.158 0.000 1.002 391 T CB 1.908 70.836 68.868 0.100 0.000 1.127 391 T HN 0.220 nan 8.240 nan 0.000 0.488 392 T N 0.451 115.131 114.554 0.211 0.000 2.821 392 T HA -0.100 4.251 4.350 0.002 0.000 0.267 392 T C 2.182 176.938 174.700 0.093 0.000 1.046 392 T CA 1.767 63.953 62.100 0.143 0.000 1.139 392 T CB -0.864 68.040 68.868 0.060 0.000 0.871 392 T HN 0.712 nan 8.240 nan 0.000 0.454 393 S N 2.468 118.221 115.700 0.089 0.000 2.465 393 S HA -0.151 4.320 4.470 0.002 0.000 0.241 393 S C 2.177 176.825 174.600 0.079 0.000 1.000 393 S CA 1.245 59.483 58.200 0.064 0.000 0.964 393 S CB -1.075 62.157 63.200 0.054 0.000 0.763 393 S HN 0.807 nan 8.310 nan 0.000 0.512 394 S N 1.644 117.427 115.700 0.137 0.000 2.522 394 S HA 0.213 4.684 4.470 0.002 0.000 0.227 394 S C 0.987 175.670 174.600 0.138 0.000 0.986 394 S CA 0.341 58.630 58.200 0.149 0.000 0.929 394 S CB -0.982 62.340 63.200 0.204 0.000 0.769 394 S HN 0.657 nan 8.310 nan 0.000 0.529 395 L N 0.717 121.990 121.223 0.083 0.000 3.843 395 L HA -0.179 4.162 4.340 0.002 0.000 0.411 395 L C 1.658 178.535 176.870 0.011 0.000 1.205 395 L CA 0.703 55.534 54.840 -0.015 0.000 0.945 395 L CB -2.532 39.527 42.059 0.000 0.000 1.929 395 L HN 0.735 nan 8.230 nan 0.000 0.934 396 W N 0.091 121.404 121.300 0.022 0.000 2.363 396 W HA -0.159 4.502 4.660 0.001 0.000 0.296 396 W C 1.741 178.280 176.519 0.034 0.000 1.212 396 W CA 1.379 58.740 57.345 0.028 0.000 1.260 396 W CB -0.753 28.720 29.460 0.022 0.000 1.131 396 W HN 0.275 nan 8.180 nan 0.000 0.530 397 K N 1.021 120.965 120.400 -0.760 0.000 2.057 397 K HA -0.170 4.151 4.320 0.002 0.000 0.207 397 K C 1.529 177.978 176.600 -0.251 0.000 1.049 397 K CA 2.376 58.245 56.287 -0.698 0.000 0.931 397 K CB -0.354 31.585 32.500 -0.935 0.000 0.714 397 K HN 0.063 nan 8.250 nan 0.000 0.440 398 D N 0.613 120.895 120.400 -0.196 0.000 2.117 398 D HA -0.118 4.523 4.640 0.002 0.000 0.198 398 D C 1.673 177.963 176.300 -0.017 0.000 0.982 398 D CA 1.195 55.140 54.000 -0.092 0.000 0.828 398 D CB 0.036 40.791 40.800 -0.074 0.000 0.967 398 D HN 0.112 nan 8.370 nan 0.000 0.464 399 K N 0.446 120.862 120.400 0.028 0.000 2.057 399 K HA -0.012 4.309 4.320 0.002 0.000 0.207 399 K C 2.182 178.849 176.600 0.110 0.000 1.049 399 K CA 1.106 57.441 56.287 0.079 0.000 0.931 399 K CB -0.128 32.441 32.500 0.115 0.000 0.714 399 K HN 0.084 nan 8.250 nan 0.000 0.440 400 A N 1.520 124.426 122.820 0.142 0.000 1.898 400 A HA -0.094 4.227 4.320 0.002 0.000 0.216 400 A C 2.377 180.044 177.584 0.138 0.000 1.181 400 A CA 1.761 53.914 52.037 0.192 0.000 0.620 400 A CB -0.681 18.474 19.000 0.259 0.000 0.819 400 A HN 0.325 nan 8.150 nan 0.000 0.442 401 A N -0.505 122.353 122.820 0.063 0.000 1.908 401 A HA -0.027 4.294 4.320 0.002 0.000 0.218 401 A C 2.228 179.823 177.584 0.018 0.000 1.181 401 A CA 1.845 53.895 52.037 0.021 0.000 0.627 401 A CB -0.950 18.026 19.000 -0.040 0.000 0.818 401 A HN 0.391 nan 8.150 nan 0.000 0.445 402 V N 0.368 120.299 119.914 0.027 0.000 2.343 402 V HA -0.214 3.907 4.120 0.002 0.000 0.247 402 V C 2.537 178.653 176.094 0.037 0.000 1.051 402 V CA 2.137 64.455 62.300 0.030 0.000 1.036 402 V CB -0.701 31.148 31.823 0.043 0.000 0.654 402 V HN 0.529 nan 8.190 nan 0.000 0.451 403 E N -0.116 120.130 120.200 0.077 0.000 2.150 403 E HA -0.121 4.230 4.350 0.002 0.000 0.193 403 E C 2.132 178.731 176.600 -0.002 0.000 0.985 403 E CA 1.133 57.592 56.400 0.098 0.000 0.814 403 E CB -0.259 29.536 29.700 0.158 0.000 0.752 403 E HN 0.585 nan 8.360 nan 0.000 0.466 404 I N 1.289 121.890 120.570 0.052 0.000 2.252 404 I HA -0.277 3.894 4.170 0.002 0.000 0.245 404 I C 1.733 177.823 176.117 -0.045 0.000 1.102 404 I CA 1.057 62.391 61.300 0.056 0.000 1.385 404 I CB -0.288 37.811 38.000 0.164 0.000 1.064 404 I HN 0.038 nan 8.210 nan 0.000 0.414 405 N N 0.601 119.272 118.700 -0.049 0.000 2.188 405 N HA -0.172 4.569 4.740 0.002 0.000 0.184 405 N C 1.665 177.125 175.510 -0.084 0.000 1.018 405 N CA 0.837 53.841 53.050 -0.075 0.000 0.858 405 N CB -0.187 38.265 38.487 -0.058 0.000 0.989 405 N HN 0.151 nan 8.380 nan 0.000 0.426 406 L N 0.676 121.836 121.223 -0.105 0.000 2.046 406 L HA -0.006 4.335 4.340 0.002 0.000 0.208 406 L C 1.994 178.720 176.870 -0.241 0.000 1.077 406 L CA 1.403 56.142 54.840 -0.168 0.000 0.747 406 L CB -0.851 41.072 42.059 -0.228 0.000 0.896 406 L HN 0.159 nan 8.230 nan 0.000 0.432 407 A N -1.246 121.372 122.820 -0.336 0.000 1.902 407 A HA -0.151 4.170 4.320 0.002 0.000 0.217 407 A C 2.259 179.795 177.584 -0.081 0.000 1.181 407 A CA 1.977 53.803 52.037 -0.350 0.000 0.623 407 A CB -1.087 17.472 19.000 -0.736 0.000 0.818 407 A HN 0.295 nan 8.150 nan 0.000 0.443 408 V N 0.038 119.918 119.914 -0.057 0.000 2.255 408 V HA -0.278 3.843 4.120 0.002 0.000 0.247 408 V C 2.584 178.704 176.094 0.043 0.000 1.051 408 V CA 2.078 64.385 62.300 0.013 0.000 1.018 408 V CB -0.803 30.944 31.823 -0.126 0.000 0.641 408 V HN 0.571 nan 8.190 nan 0.000 0.445 409 L N -0.611 120.596 121.223 -0.027 0.000 2.046 409 L HA -0.220 4.121 4.340 0.002 0.000 0.208 409 L C 2.627 179.529 176.870 0.052 0.000 1.077 409 L CA 2.106 56.945 54.840 -0.003 0.000 0.747 409 L CB -0.783 41.265 42.059 -0.019 0.000 0.896 409 L HN 0.485 nan 8.230 nan 0.000 0.432 410 H N -0.381 118.649 119.070 -0.066 0.000 2.321 410 H HA -0.143 4.414 4.556 0.002 0.000 0.300 410 H C 2.340 177.660 175.328 -0.014 0.000 1.087 410 H CA 1.998 58.000 56.048 -0.078 0.000 1.319 410 H CB 0.001 29.653 29.762 -0.184 0.000 1.379 410 H HN 0.147 nan 8.280 nan 0.000 0.501 411 S N -0.446 115.197 115.700 -0.095 0.000 2.356 411 S HA -0.115 4.356 4.470 0.002 0.000 0.223 411 S C 2.042 176.610 174.600 -0.053 0.000 1.032 411 S CA 1.270 59.404 58.200 -0.109 0.000 1.005 411 S CB -0.553 62.680 63.200 0.056 0.000 0.867 411 S HN 0.387 nan 8.310 nan 0.000 0.449 412 F N 1.883 121.775 119.950 -0.096 0.000 2.134 412 F HA -0.148 4.380 4.527 0.002 0.000 0.299 412 F C 2.794 178.544 175.800 -0.084 0.000 1.097 412 F CA 1.182 59.148 58.000 -0.057 0.000 1.264 412 F CB -0.279 38.711 39.000 -0.017 0.000 1.001 412 F HN 0.210 nan 8.300 nan 0.000 0.479 413 Q N -0.446 119.394 119.800 0.067 0.000 2.167 413 Q HA -0.203 4.138 4.340 0.002 0.000 0.202 413 Q C 2.114 178.059 176.000 -0.092 0.000 0.970 413 Q CA 1.188 56.981 55.803 -0.016 0.000 0.855 413 Q CB -0.252 28.471 28.738 -0.026 0.000 0.911 413 Q HN 0.374 nan 8.270 nan 0.000 0.438 414 L N 0.103 121.214 121.223 -0.187 0.000 2.072 414 L HA 0.003 4.344 4.340 0.002 0.000 0.205 414 L C 1.906 178.693 176.870 -0.138 0.000 1.079 414 L CA 1.753 56.470 54.840 -0.205 0.000 0.752 414 L CB -0.470 41.383 42.059 -0.343 0.000 0.906 414 L HN 0.071 nan 8.230 nan 0.000 0.436 415 A N -1.375 121.358 122.820 -0.146 0.000 2.235 415 A HA 0.004 4.325 4.320 0.002 0.000 0.208 415 A C 0.794 178.315 177.584 -0.105 0.000 1.172 415 A CA 0.161 52.116 52.037 -0.137 0.000 0.786 415 A CB -0.390 18.488 19.000 -0.204 0.000 0.804 415 A HN 0.398 nan 8.150 nan 0.000 0.479 416 K N -1.091 119.261 120.400 -0.079 0.000 3.096 416 K HA -0.126 4.195 4.320 0.002 0.000 0.266 416 K C -0.666 175.910 176.600 -0.040 0.000 1.043 416 K CA 0.786 57.041 56.287 -0.053 0.000 0.758 416 K CB -2.504 29.965 32.500 -0.052 0.000 1.260 416 K HN 0.298 nan 8.250 nan 0.000 0.481 417 V N 0.955 120.859 119.914 -0.017 0.000 2.495 417 V HA 0.221 4.343 4.120 0.002 0.000 0.298 417 V C 0.830 177.022 176.094 0.164 0.000 1.031 417 V CA -0.736 61.590 62.300 0.044 0.000 0.871 417 V CB 2.075 33.863 31.823 -0.058 0.000 0.988 417 V HN 0.272 nan 8.190 nan 0.000 0.432 418 T N 6.105 120.715 114.554 0.094 0.000 2.934 418 T HA 0.439 4.790 4.350 0.002 0.000 0.306 418 T C -0.247 174.524 174.700 0.119 0.000 1.042 418 T CA 0.859 62.944 62.100 -0.026 0.000 1.145 418 T CB 0.074 68.795 68.868 -0.245 0.000 0.982 418 T HN 0.578 nan 8.240 nan 0.000 0.544 419 I N 2.062 122.630 120.570 -0.003 0.000 2.842 419 I HA 0.555 4.726 4.170 0.002 0.000 0.296 419 I C -1.722 174.418 176.117 0.038 0.000 1.538 419 I CA -0.886 60.450 61.300 0.060 0.000 0.994 419 I CB 1.804 39.756 38.000 -0.079 0.000 1.372 419 I HN 0.454 nan 8.210 nan 0.000 0.478 420 V N 4.936 124.932 119.914 0.137 0.000 2.709 420 V HA 0.503 4.624 4.120 0.002 0.000 0.308 420 V C -1.182 174.966 176.094 0.091 0.000 1.062 420 V CA -0.254 62.127 62.300 0.134 0.000 0.901 420 V CB 2.200 34.189 31.823 0.277 0.000 1.003 420 V HN 0.865 nan 8.190 nan 0.000 0.425 421 D N 4.015 124.447 120.400 0.053 0.000 2.354 421 D HA 0.193 4.835 4.640 0.002 0.000 0.247 421 D C 1.282 177.591 176.300 0.015 0.000 1.138 421 D CA 0.192 54.212 54.000 0.034 0.000 0.958 421 D CB 0.482 41.268 40.800 -0.023 0.000 1.144 421 D HN 0.730 nan 8.370 nan 0.000 0.458 422 H N -0.085 118.923 119.070 -0.103 0.000 2.456 422 H HA -0.143 4.414 4.556 0.002 0.000 0.296 422 H C 0.981 176.203 175.328 -0.176 0.000 1.079 422 H CA 1.352 57.299 56.048 -0.169 0.000 1.322 422 H CB -0.572 29.030 29.762 -0.267 0.000 1.388 422 H HN 0.523 nan 8.280 nan 0.000 0.538 423 H N 1.110 119.994 119.070 -0.310 0.000 2.333 423 H HA 0.162 4.719 4.556 0.002 0.000 0.302 423 H C 2.534 177.838 175.328 -0.040 0.000 1.075 423 H CA 1.290 57.241 56.048 -0.162 0.000 1.348 423 H CB -0.284 29.347 29.762 -0.218 0.000 1.393 423 H HN 0.500 nan 8.280 nan 0.000 0.509 424 A N 1.396 124.267 122.820 0.085 0.000 1.902 424 A HA -0.092 4.229 4.320 0.002 0.000 0.217 424 A C 2.679 180.330 177.584 0.112 0.000 1.181 424 A CA 1.740 53.830 52.037 0.089 0.000 0.623 424 A CB -0.775 18.269 19.000 0.073 0.000 0.818 424 A HN 0.431 nan 8.150 nan 0.000 0.443 425 A N -0.213 122.673 122.820 0.109 0.000 1.877 425 A HA -0.100 4.222 4.320 0.002 0.000 0.216 425 A C 2.449 180.123 177.584 0.150 0.000 1.186 425 A CA 2.532 54.651 52.037 0.136 0.000 0.620 425 A CB -1.405 17.665 19.000 0.115 0.000 0.822 425 A HN 0.757 nan 8.150 nan 0.000 0.443 426 T N -2.663 111.963 114.554 0.121 0.000 2.867 426 T HA -0.069 4.282 4.350 0.002 0.000 0.268 426 T C 1.678 176.501 174.700 0.205 0.000 1.057 426 T CA 1.351 63.544 62.100 0.156 0.000 1.136 426 T CB -0.667 68.260 68.868 0.099 0.000 0.874 426 T HN 0.049 nan 8.240 nan 0.000 0.466 427 V N 2.807 122.818 119.914 0.161 0.000 2.343 427 V HA -0.167 3.954 4.120 0.002 0.000 0.247 427 V C 3.217 179.399 176.094 0.147 0.000 1.051 427 V CA 2.056 64.442 62.300 0.143 0.000 1.036 427 V CB -0.933 30.957 31.823 0.111 0.000 0.654 427 V HN 0.798 nan 8.190 nan 0.000 0.451 428 S N -0.179 115.618 115.700 0.162 0.000 2.402 428 S HA -0.221 4.250 4.470 0.002 0.000 0.229 428 S C 1.973 176.691 174.600 0.198 0.000 1.021 428 S CA 1.505 59.801 58.200 0.160 0.000 0.974 428 S CB -0.747 62.553 63.200 0.166 0.000 0.800 428 S HN 0.499 nan 8.310 nan 0.000 0.484 429 F N 2.177 122.186 119.950 0.099 0.000 2.186 429 F HA 0.086 4.614 4.527 0.002 0.000 0.299 429 F C 2.267 178.152 175.800 0.143 0.000 1.090 429 F CA 1.148 59.220 58.000 0.121 0.000 1.307 429 F CB -0.335 38.716 39.000 0.085 0.000 1.019 429 F HN 0.102 nan 8.300 nan 0.000 0.489 430 M N 0.237 119.899 119.600 0.103 0.000 2.117 430 M HA -0.200 4.281 4.480 0.002 0.000 0.262 430 M C 2.065 178.335 176.300 -0.049 0.000 1.065 430 M CA 1.589 56.898 55.300 0.015 0.000 1.114 430 M CB -1.197 31.462 32.600 0.098 0.000 1.361 430 M HN 0.125 nan 8.290 nan 0.000 0.408 431 K N -1.190 119.213 120.400 0.005 0.000 2.097 431 K HA -0.208 4.113 4.320 0.002 0.000 0.206 431 K C 1.995 178.577 176.600 -0.030 0.000 1.049 431 K CA 1.433 57.722 56.287 0.002 0.000 0.933 431 K CB -0.408 32.117 32.500 0.043 0.000 0.717 431 K HN 0.321 nan 8.250 nan 0.000 0.442 432 H N 1.166 120.142 119.070 -0.157 0.000 2.387 432 H HA -0.036 4.521 4.556 0.002 0.000 0.299 432 H C 1.757 176.917 175.328 -0.280 0.000 1.090 432 H CA 1.430 57.358 56.048 -0.200 0.000 1.332 432 H CB -0.153 29.453 29.762 -0.259 0.000 1.386 432 H HN 0.043 nan 8.280 nan 0.000 0.516 433 L N -0.306 120.625 121.223 -0.487 0.000 2.046 433 L HA -0.159 4.182 4.340 0.002 0.000 0.208 433 L C 2.291 179.001 176.870 -0.267 0.000 1.077 433 L CA 1.792 56.371 54.840 -0.435 0.000 0.747 433 L CB -0.449 41.417 42.059 -0.321 0.000 0.896 433 L HN 0.370 nan 8.230 nan 0.000 0.432 434 D N -0.054 120.238 120.400 -0.179 0.000 2.097 434 D HA -0.185 4.456 4.640 0.002 0.000 0.195 434 D C 1.944 178.176 176.300 -0.114 0.000 0.989 434 D CA 1.156 55.090 54.000 -0.110 0.000 0.827 434 D CB 0.080 40.842 40.800 -0.063 0.000 0.966 434 D HN 0.137 nan 8.370 nan 0.000 0.456 435 N N 0.510 119.133 118.700 -0.128 0.000 2.104 435 N HA -0.140 4.601 4.740 0.002 0.000 0.190 435 N C 1.599 177.034 175.510 -0.125 0.000 1.024 435 N CA 0.896 53.891 53.050 -0.092 0.000 0.853 435 N CB -0.262 38.200 38.487 -0.041 0.000 1.008 435 N HN 0.352 nan 8.380 nan 0.000 0.424 436 E N 0.564 120.610 120.200 -0.257 0.000 2.152 436 E HA -0.139 4.212 4.350 0.002 0.000 0.192 436 E C 1.877 178.391 176.600 -0.142 0.000 0.983 436 E CA 0.491 56.745 56.400 -0.243 0.000 0.818 436 E CB -0.113 29.335 29.700 -0.420 0.000 0.758 436 E HN 0.335 nan 8.360 nan 0.000 0.467 437 Q N 1.542 121.265 119.800 -0.128 0.000 2.124 437 Q HA -0.123 4.218 4.340 0.002 0.000 0.202 437 Q C 1.721 177.688 176.000 -0.054 0.000 0.977 437 Q CA 1.672 57.430 55.803 -0.074 0.000 0.850 437 Q CB 0.060 28.760 28.738 -0.063 0.000 0.901 437 Q HN 0.143 nan 8.270 nan 0.000 0.429 438 K N -0.846 119.522 120.400 -0.054 0.000 2.076 438 K HA 0.064 4.385 4.320 0.002 0.000 0.204 438 K C 2.035 178.617 176.600 -0.030 0.000 1.051 438 K CA 0.954 57.219 56.287 -0.037 0.000 0.949 438 K CB -0.131 32.351 32.500 -0.030 0.000 0.726 438 K HN 0.214 nan 8.250 nan 0.000 0.443 439 A N 1.449 124.251 122.820 -0.030 0.000 1.872 439 A HA -0.047 4.274 4.320 0.002 0.000 0.214 439 A C 1.828 179.401 177.584 -0.017 0.000 1.187 439 A CA 1.103 53.133 52.037 -0.011 0.000 0.614 439 A CB -0.026 18.982 19.000 0.013 0.000 0.826 439 A HN 0.146 nan 8.150 nan 0.000 0.442 440 R N -2.421 118.058 120.500 -0.035 0.000 2.509 440 R HA 0.270 4.611 4.340 0.002 0.000 0.297 440 R C 0.833 177.118 176.300 -0.025 0.000 0.951 440 R CA 0.512 56.596 56.100 -0.027 0.000 1.103 440 R CB 0.697 30.977 30.300 -0.032 0.000 1.283 440 R HN 0.683 nan 8.270 nan 0.000 0.534 441 G N 0.841 109.621 108.800 -0.033 0.000 2.137 441 G HA2 -0.194 3.767 3.960 0.002 0.000 0.237 441 G HA3 -0.194 3.767 3.960 0.002 0.000 0.237 441 G C 0.204 175.104 174.900 0.001 0.000 1.002 441 G CA 0.051 45.132 45.100 -0.031 0.000 0.702 441 G HN 0.716 nan 8.290 nan 0.000 0.515 442 G N -2.426 106.378 108.800 0.007 0.000 2.320 442 G HA2 0.554 4.515 3.960 0.002 0.000 0.297 442 G HA3 0.554 4.515 3.960 0.002 0.000 0.297 442 G C -0.893 174.026 174.900 0.032 0.000 1.344 442 G CA 0.391 45.527 45.100 0.060 0.000 0.851 442 G HN 1.931 nan 8.290 nan 0.000 0.567 443 C N 1.952 121.290 119.300 0.064 0.000 2.833 443 C HA 0.696 5.157 4.460 0.002 0.000 0.383 443 C C -2.586 172.363 174.990 -0.069 0.000 1.058 443 C CA -1.117 57.881 59.018 -0.033 0.000 1.259 443 C CB 1.214 28.877 27.740 -0.129 0.000 1.726 443 C HN 0.711 nan 8.230 nan 0.000 0.484 444 P HA 0.421 nan 4.420 nan 0.000 0.271 444 P C -0.636 176.549 177.300 -0.192 0.000 1.226 444 P CA 0.566 63.282 63.100 -0.639 0.000 0.765 444 P CB 1.130 32.239 31.700 -0.985 0.000 0.835 445 A N 2.654 125.426 122.820 -0.080 0.000 2.520 445 A HA 0.439 4.760 4.320 0.002 0.000 0.298 445 A C -1.169 176.461 177.584 0.076 0.000 1.051 445 A CA -0.547 51.535 52.037 0.076 0.000 0.690 445 A CB 1.386 20.547 19.000 0.267 0.000 1.281 445 A HN 0.442 nan 8.150 nan 0.000 0.402 446 D N 1.821 122.261 120.400 0.066 0.000 2.473 446 D HA 0.157 4.798 4.640 0.002 0.000 0.226 446 D C 0.808 177.240 176.300 0.219 0.000 1.089 446 D CA -0.541 53.531 54.000 0.121 0.000 0.883 446 D CB 0.336 41.153 40.800 0.028 0.000 1.029 446 D HN 0.583 nan 8.370 nan 0.000 0.517 447 W N 4.215 125.550 121.300 0.058 0.000 2.290 447 W HA -0.337 4.324 4.660 0.002 0.000 0.318 447 W C 1.932 178.483 176.519 0.053 0.000 1.248 447 W CA 2.528 59.894 57.345 0.036 0.000 1.263 447 W CB 0.030 29.486 29.460 -0.006 0.000 1.147 447 W HN 0.562 nan 8.180 nan 0.000 0.494 448 A N -1.472 121.641 122.820 0.489 0.000 2.019 448 A HA -0.192 4.129 4.320 0.002 0.000 0.219 448 A C 1.434 179.093 177.584 0.124 0.000 1.164 448 A CA 1.594 53.835 52.037 0.340 0.000 0.644 448 A CB -1.219 18.002 19.000 0.369 0.000 0.805 448 A HN 0.536 nan 8.150 nan 0.000 0.449 449 W N -1.000 120.279 121.300 -0.035 0.000 2.872 449 W HA 0.219 4.880 4.660 0.002 0.000 0.266 449 W C 1.772 178.184 176.519 -0.178 0.000 1.276 449 W CA -0.168 57.130 57.345 -0.078 0.000 1.471 449 W CB 0.007 29.446 29.460 -0.035 0.000 1.071 449 W HN 0.136 nan 8.180 nan 0.000 0.619 450 I N -0.285 120.248 120.570 -0.063 0.000 2.406 450 I HA -0.048 4.123 4.170 0.002 0.000 0.249 450 I C 0.649 176.568 176.117 -0.330 0.000 1.122 450 I CA 0.754 61.886 61.300 -0.281 0.000 1.431 450 I CB -1.399 36.358 38.000 -0.405 0.000 1.087 450 I HN -0.416 nan 8.210 nan 0.000 0.424 451 V N 3.910 123.551 119.914 -0.455 0.000 2.508 451 V HA 0.111 4.232 4.120 0.002 0.000 0.281 451 V C -1.912 174.008 176.094 -0.292 0.000 1.041 451 V CA -1.130 60.889 62.300 -0.468 0.000 1.016 451 V CB 0.323 31.625 31.823 -0.868 0.000 0.984 451 V HN 0.119 nan 8.190 nan 0.000 0.478 452 P HA 0.102 nan 4.420 nan 0.000 0.268 452 P C -1.750 175.421 177.300 -0.215 0.000 1.208 452 P CA -1.016 61.960 63.100 -0.207 0.000 0.777 452 P CB 0.047 31.628 31.700 -0.198 0.000 0.875 453 P HA -0.034 nan 4.420 nan 0.000 0.230 453 P C 0.201 177.388 177.300 -0.189 0.000 1.158 453 P CA 1.249 64.227 63.100 -0.202 0.000 0.769 453 P CB 0.021 31.595 31.700 -0.211 0.000 0.807 454 I N -6.796 113.627 120.570 -0.245 0.000 2.934 454 I HA 0.453 4.624 4.170 0.002 0.000 0.306 454 I C -0.121 175.884 176.117 -0.187 0.000 1.110 454 I CA -1.297 59.877 61.300 -0.208 0.000 1.019 454 I CB 1.969 39.823 38.000 -0.242 0.000 1.227 454 I HN -0.401 nan 8.210 nan 0.000 0.434 455 S N 1.995 117.636 115.700 -0.098 0.000 3.581 455 S HA -0.193 4.278 4.470 0.002 0.000 0.354 455 S C 1.328 175.894 174.600 -0.056 0.000 1.059 455 S CA 0.771 58.951 58.200 -0.034 0.000 1.060 455 S CB -1.752 61.498 63.200 0.083 0.000 0.908 455 S HN 1.257 nan 8.310 nan 0.000 0.475 456 G N 2.405 111.147 108.800 -0.097 0.000 2.586 456 G HA2 -0.309 3.652 3.960 0.002 0.000 0.218 456 G HA3 -0.309 3.652 3.960 0.002 0.000 0.218 456 G C 1.435 176.201 174.900 -0.224 0.000 1.216 456 G CA 1.467 46.515 45.100 -0.087 0.000 0.786 456 G HN 1.304 nan 8.290 nan 0.000 0.583 457 S N 0.345 115.661 115.700 -0.639 0.000 2.603 457 S HA 0.177 4.648 4.470 0.002 0.000 0.229 457 S C 1.995 176.502 174.600 -0.155 0.000 0.972 457 S CA 0.512 58.178 58.200 -0.890 0.000 0.935 457 S CB -0.196 62.306 63.200 -1.164 0.000 0.769 457 S HN 0.326 nan 8.310 nan 0.000 0.536 458 L N 1.886 123.084 121.223 -0.042 0.000 2.558 458 L HA 0.163 4.504 4.340 0.002 0.000 0.225 458 L C 1.166 178.153 176.870 0.194 0.000 1.128 458 L CA 0.353 55.256 54.840 0.105 0.000 0.868 458 L CB -0.885 41.267 42.059 0.155 0.000 1.006 458 L HN 0.466 nan 8.230 nan 0.000 0.454 459 T N -4.330 110.318 114.554 0.156 0.000 2.925 459 T HA 0.333 4.684 4.350 0.002 0.000 0.285 459 T C -1.700 173.148 174.700 0.247 0.000 1.021 459 T CA -1.964 60.249 62.100 0.188 0.000 1.042 459 T CB 2.049 70.975 68.868 0.098 0.000 1.037 459 T HN -0.210 nan 8.240 nan 0.000 0.481 460 P HA -0.084 nan 4.420 nan 0.000 0.218 460 P C 1.812 179.295 177.300 0.305 0.000 1.149 460 P CA 1.088 64.371 63.100 0.305 0.000 0.817 460 P CB -0.341 31.491 31.700 0.221 0.000 0.785 461 V N -3.553 116.488 119.914 0.212 0.000 2.594 461 V HA -0.199 3.922 4.120 0.002 0.000 0.253 461 V C 2.405 178.561 176.094 0.103 0.000 1.069 461 V CA 1.241 63.637 62.300 0.161 0.000 1.082 461 V CB -2.284 29.573 31.823 0.057 0.000 0.680 461 V HN -0.107 nan 8.190 nan 0.000 0.469 462 F N 1.700 121.588 119.950 -0.103 0.000 2.161 462 F HA -0.166 4.362 4.527 0.001 0.000 0.300 462 F C 2.439 178.313 175.800 0.125 0.000 1.089 462 F CA 2.172 60.101 58.000 -0.118 0.000 1.282 462 F CB -0.226 38.593 39.000 -0.302 0.000 1.010 462 F HN 0.268 nan 8.300 nan 0.000 0.485 463 H N -0.781 118.625 119.070 0.561 0.000 2.533 463 H HA 0.109 4.666 4.556 0.002 0.000 0.271 463 H C 0.172 175.749 175.328 0.416 0.000 1.000 463 H CA 0.219 56.554 56.048 0.479 0.000 1.149 463 H CB -0.244 29.772 29.762 0.423 0.000 1.375 463 H HN 0.274 nan 8.280 nan 0.000 0.582 464 Q N 1.837 121.905 119.800 0.447 0.000 2.325 464 Q HA 0.176 4.517 4.340 0.002 0.000 0.262 464 Q C -0.599 175.628 176.000 0.378 0.000 0.968 464 Q CA -0.493 55.529 55.803 0.366 0.000 0.877 464 Q CB 0.986 29.903 28.738 0.297 0.000 1.253 464 Q HN 0.225 nan 8.270 nan 0.000 0.448 465 E N 3.448 123.826 120.200 0.297 0.000 2.383 465 E HA 0.290 4.641 4.350 0.002 0.000 0.264 465 E C -0.492 176.239 176.600 0.217 0.000 1.050 465 E CA 0.187 56.720 56.400 0.222 0.000 0.896 465 E CB 0.887 30.698 29.700 0.185 0.000 0.982 465 E HN 0.595 nan 8.360 nan 0.000 0.424 466 M N 1.421 121.146 119.600 0.209 0.000 2.518 466 M HA 0.380 4.861 4.480 0.002 0.000 0.300 466 M C -1.157 175.242 176.300 0.166 0.000 1.175 466 M CA -1.020 54.407 55.300 0.212 0.000 0.890 466 M CB 2.400 35.176 32.600 0.293 0.000 1.710 466 M HN 0.158 nan 8.290 nan 0.000 0.453 467 V N 1.925 121.945 119.914 0.176 0.000 2.417 467 V HA 0.469 4.590 4.120 0.002 0.000 0.291 467 V C -0.652 175.544 176.094 0.171 0.000 1.024 467 V CA -0.713 61.720 62.300 0.223 0.000 0.861 467 V CB 1.664 33.688 31.823 0.334 0.000 0.985 467 V HN 0.803 nan 8.190 nan 0.000 0.436 468 N N 3.787 122.585 118.700 0.162 0.000 2.372 468 N HA 0.689 5.430 4.740 0.002 0.000 0.291 468 N C -1.207 174.389 175.510 0.143 0.000 1.024 468 N CA -0.412 52.648 53.050 0.016 0.000 0.873 468 N CB 1.454 39.964 38.487 0.037 0.000 1.206 468 N HN 0.664 nan 8.380 nan 0.000 0.486 469 Y N 0.057 120.375 120.300 0.029 0.000 2.713 469 Y HA 0.531 5.082 4.550 0.002 0.000 0.335 469 Y C -1.208 174.695 175.900 0.005 0.000 1.222 469 Y CA -1.223 56.888 58.100 0.018 0.000 1.061 469 Y CB 0.773 39.248 38.460 0.025 0.000 1.314 469 Y HN 0.212 nan 8.280 nan 0.000 0.453 470 I N 3.431 124.113 120.570 0.187 0.000 2.312 470 I HA 0.398 4.569 4.170 0.002 0.000 0.290 470 I C -0.732 175.460 176.117 0.124 0.000 1.008 470 I CA -0.422 60.929 61.300 0.084 0.000 1.226 470 I CB 0.927 38.954 38.000 0.046 0.000 1.371 470 I HN 0.408 nan 8.210 nan 0.000 0.468 471 L N 4.979 126.246 121.223 0.073 0.000 2.330 471 L HA 0.564 4.905 4.340 0.002 0.000 0.271 471 L C 0.021 176.897 176.870 0.011 0.000 1.013 471 L CA -0.529 54.355 54.840 0.073 0.000 0.816 471 L CB 2.046 44.149 42.059 0.075 0.000 1.287 471 L HN 0.499 nan 8.230 nan 0.000 0.435 472 S N 1.394 117.107 115.700 0.021 0.000 2.513 472 S HA 0.621 5.092 4.470 0.002 0.000 0.299 472 S C -2.561 172.053 174.600 0.024 0.000 1.087 472 S CA -1.424 56.773 58.200 -0.005 0.000 1.012 472 S CB 1.807 65.014 63.200 0.013 0.000 1.044 472 S HN 0.248 nan 8.310 nan 0.000 0.485 473 P HA 0.345 nan 4.420 nan 0.000 0.266 473 P C -1.319 175.872 177.300 -0.183 0.000 1.193 473 P CA 0.082 63.100 63.100 -0.137 0.000 0.770 473 P CB 0.483 32.069 31.700 -0.190 0.000 0.836 474 A N 2.028 124.702 122.820 -0.243 0.000 2.606 474 A HA 0.695 5.016 4.320 0.002 0.000 0.293 474 A C -1.542 175.840 177.584 -0.338 0.000 1.082 474 A CA -0.516 51.380 52.037 -0.235 0.000 0.685 474 A CB 0.871 19.799 19.000 -0.121 0.000 1.284 474 A HN 0.345 nan 8.150 nan 0.000 0.408 475 F N 0.773 120.640 119.950 -0.140 0.000 2.421 475 F HA 0.709 5.237 4.527 0.002 0.000 0.337 475 F C 0.906 176.580 175.800 -0.211 0.000 1.105 475 F CA 0.161 58.070 58.000 -0.151 0.000 1.049 475 F CB 1.884 40.765 39.000 -0.199 0.000 1.139 475 F HN 0.582 nan 8.300 nan 0.000 0.479 476 R N 1.394 121.887 120.500 -0.011 0.000 2.836 476 R HA 0.464 4.805 4.340 0.002 0.000 0.269 476 R C -1.599 174.621 176.300 -0.133 0.000 1.010 476 R CA -1.132 54.877 56.100 -0.151 0.000 0.930 476 R CB 1.716 31.976 30.300 -0.066 0.000 1.218 476 R HN 0.406 nan 8.270 nan 0.000 0.473 477 Y N 1.202 121.517 120.300 0.025 0.000 2.300 477 Y HA 0.212 4.763 4.550 0.002 0.000 0.328 477 Y C 0.523 176.419 175.900 -0.006 0.000 1.270 477 Y CA -0.120 57.987 58.100 0.011 0.000 1.352 477 Y CB 0.863 39.317 38.460 -0.009 0.000 1.286 477 Y HN 0.432 nan 8.280 nan 0.000 0.536 478 Q N 0.829 120.718 119.800 0.148 0.000 2.462 478 Q HA 0.623 4.964 4.340 0.002 0.000 0.285 478 Q C -3.136 172.838 176.000 -0.043 0.000 1.035 478 Q CA -2.480 53.345 55.803 0.037 0.000 0.799 478 Q CB 1.941 30.692 28.738 0.022 0.000 1.452 478 Q HN 0.276 nan 8.270 nan 0.000 0.404 479 P HA 0.050 nan 4.420 nan 0.000 0.268 479 P C -0.994 176.111 177.300 -0.325 0.000 1.208 479 P CA 0.072 63.055 63.100 -0.194 0.000 0.777 479 P CB 0.359 31.955 31.700 -0.172 0.000 0.875 480 D N 3.078 123.161 120.400 -0.528 0.000 2.390 480 D HA 0.026 4.667 4.640 0.002 0.000 0.249 480 D C -1.015 174.723 176.300 -0.936 0.000 1.144 480 D CA -1.283 52.146 54.000 -0.952 0.000 0.880 480 D CB 0.330 40.172 40.800 -1.597 0.000 1.182 480 D HN 0.289 nan 8.370 nan 0.000 0.451 481 P HA -0.069 nan 4.420 nan 0.000 0.231 481 P C 0.011 176.964 177.300 -0.578 0.000 1.158 481 P CA 0.700 63.416 63.100 -0.639 0.000 0.763 481 P CB 0.057 31.379 31.700 -0.630 0.000 0.805 482 W N 0.000 120.885 121.300 -0.691 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.094 57.345 -0.418 0.000 1.226 482 W CB 0.000 29.164 29.460 -0.493 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535