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 1d1w_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 0.000 176.286 176.600 -0.524 0.000 0.988 69 K CA 0.000 56.030 56.287 -0.429 0.000 0.838 69 K CB 0.000 32.128 32.500 -0.620 0.000 1.064 70 F N 4.583 124.556 119.950 0.038 0.000 2.444 70 F HA 0.471 4.999 4.527 0.002 0.000 0.342 70 F C -2.113 173.781 175.800 0.157 0.000 1.121 70 F CA -2.183 55.859 58.000 0.070 0.000 0.997 70 F CB 1.386 40.430 39.000 0.073 0.000 1.130 70 F HN -0.014 nan 8.300 nan 0.000 0.454 71 P HA 0.043 nan 4.420 nan 0.000 0.268 71 P C -0.919 176.431 177.300 0.084 0.000 1.205 71 P CA -0.398 62.795 63.100 0.156 0.000 0.771 71 P CB 1.117 32.879 31.700 0.103 0.000 0.858 72 R N 2.403 122.863 120.500 -0.067 0.000 2.221 72 R HA 0.411 4.752 4.340 0.002 0.000 0.327 72 R C -1.018 175.140 176.300 -0.238 0.000 1.033 72 R CA -0.578 55.255 56.100 -0.446 0.000 0.887 72 R CB 0.498 30.571 30.300 -0.378 0.000 1.057 72 R HN 0.255 nan 8.270 nan 0.000 0.455 73 V N 5.216 124.977 119.914 -0.255 0.000 2.417 73 V HA 0.363 4.484 4.120 0.002 0.000 0.291 73 V C -0.202 175.814 176.094 -0.130 0.000 1.024 73 V CA -0.676 61.562 62.300 -0.104 0.000 0.861 73 V CB 1.421 33.225 31.823 -0.031 0.000 0.985 73 V HN 0.734 nan 8.190 nan 0.000 0.436 74 K N 3.880 124.228 120.400 -0.086 0.000 2.259 74 K HA 0.433 4.755 4.320 0.002 0.000 0.252 74 K C -0.717 175.818 176.600 -0.108 0.000 0.936 74 K CA -0.720 55.448 56.287 -0.198 0.000 0.810 74 K CB 1.601 33.836 32.500 -0.443 0.000 1.143 74 K HN 0.714 nan 8.250 nan 0.000 0.427 75 N N 4.122 122.739 118.700 -0.137 0.000 2.469 75 N HA 0.099 4.840 4.740 0.002 0.000 0.253 75 N C -0.302 175.177 175.510 -0.051 0.000 0.970 75 N CA -0.387 52.686 53.050 0.038 0.000 0.940 75 N CB 0.469 38.994 38.487 0.063 0.000 1.128 75 N HN 0.674 nan 8.380 nan 0.000 0.503 76 W N 2.057 123.435 121.300 0.129 0.000 2.699 76 W HA 0.094 4.756 4.660 0.002 0.000 0.249 76 W C 2.023 178.599 176.519 0.095 0.000 1.280 76 W CA -0.013 57.402 57.345 0.117 0.000 1.345 76 W CB 0.201 29.751 29.460 0.150 0.000 1.128 76 W HN 0.658 nan 8.180 nan 0.000 0.642 77 E N 0.217 120.562 120.200 0.242 0.000 2.230 77 E HA -0.082 4.269 4.350 0.002 0.000 0.192 77 E C 1.606 178.230 176.600 0.040 0.000 0.987 77 E CA 0.896 57.340 56.400 0.073 0.000 0.841 77 E CB -0.017 29.671 29.700 -0.020 0.000 0.783 77 E HN 0.301 nan 8.360 nan 0.000 0.481 78 L N -1.675 119.569 121.223 0.035 0.000 2.609 78 L HA 0.371 4.712 4.340 0.002 0.000 0.230 78 L C 1.627 178.474 176.870 -0.037 0.000 1.064 78 L CA 0.477 55.317 54.840 0.001 0.000 0.873 78 L CB 0.769 42.832 42.059 0.007 0.000 1.139 78 L HN 0.350 nan 8.230 nan 0.000 0.490 79 G N 0.492 109.239 108.800 -0.088 0.000 2.194 79 G HA2 -0.289 3.672 3.960 0.002 0.000 0.236 79 G HA3 -0.289 3.672 3.960 0.002 0.000 0.236 79 G C 0.440 175.245 174.900 -0.157 0.000 0.987 79 G CA 0.272 45.280 45.100 -0.153 0.000 0.635 79 G HN 0.411 nan 8.290 nan 0.000 0.520 80 S N 0.030 115.664 115.700 -0.110 0.000 2.573 80 S HA 0.656 5.127 4.470 0.002 0.000 0.277 80 S C 0.201 174.722 174.600 -0.131 0.000 1.346 80 S CA 0.060 58.204 58.200 -0.092 0.000 1.034 80 S CB 1.599 64.767 63.200 -0.053 0.000 0.879 80 S HN 0.719 nan 8.310 nan 0.000 0.528 81 I N 1.466 121.968 120.570 -0.115 0.000 2.769 81 I HA 0.540 4.711 4.170 0.002 0.000 0.298 81 I C -0.104 175.938 176.117 -0.124 0.000 1.128 81 I CA -0.559 60.647 61.300 -0.156 0.000 1.031 81 I CB 2.724 40.614 38.000 -0.183 0.000 1.235 81 I HN 1.012 nan 8.210 nan 0.000 0.423 82 T N 0.602 115.048 114.554 -0.181 0.000 2.841 82 T HA 0.616 4.968 4.350 0.002 0.000 0.296 82 T C -1.451 173.097 174.700 -0.253 0.000 1.166 82 T CA -0.785 61.250 62.100 -0.109 0.000 1.007 82 T CB 1.776 70.617 68.868 -0.045 0.000 1.253 82 T HN 0.303 nan 8.240 nan 0.000 0.511 83 Y N 0.246 120.537 120.300 -0.015 0.000 2.361 83 Y HA 0.448 5.000 4.550 0.002 0.000 0.337 83 Y C -0.110 175.776 175.900 -0.024 0.000 0.965 83 Y CA -0.869 57.232 58.100 0.000 0.000 1.091 83 Y CB 1.800 40.256 38.460 -0.007 0.000 1.182 83 Y HN 0.731 nan 8.280 nan 0.000 0.450 84 D N 2.282 122.762 120.400 0.135 0.000 2.339 84 D HA 0.075 4.716 4.640 0.002 0.000 0.241 84 D C 0.706 177.030 176.300 0.041 0.000 1.183 84 D CA 0.217 54.264 54.000 0.079 0.000 0.859 84 D CB 1.294 42.160 40.800 0.109 0.000 1.067 84 D HN 0.813 nan 8.370 nan 0.000 0.484 85 T N 1.077 115.554 114.554 -0.128 0.000 3.015 85 T HA -0.065 4.286 4.350 0.002 0.000 0.250 85 T C 1.930 176.537 174.700 -0.155 0.000 1.057 85 T CA -0.220 61.657 62.100 -0.373 0.000 1.066 85 T CB 0.058 68.514 68.868 -0.688 0.000 0.959 85 T HN 0.262 nan 8.240 nan 0.000 0.488 86 L N 2.694 123.858 121.223 -0.098 0.000 2.079 86 L HA -0.036 4.305 4.340 0.002 0.000 0.210 86 L C 2.714 179.476 176.870 -0.179 0.000 1.081 86 L CA 1.638 56.449 54.840 -0.049 0.000 0.752 86 L CB -1.099 41.005 42.059 0.075 0.000 0.896 86 L HN 0.677 nan 8.230 nan 0.000 0.433 87 C N -1.188 117.797 119.300 -0.525 0.000 2.403 87 C HA -0.107 4.354 4.460 0.002 0.000 0.282 87 C C 2.816 177.580 174.990 -0.378 0.000 1.297 87 C CA 0.310 58.665 59.018 -1.104 0.000 1.785 87 C CB -2.336 24.785 27.740 -1.032 0.000 1.963 87 C HN 0.615 nan 8.230 nan 0.000 0.507 88 A N 0.024 122.788 122.820 -0.093 0.000 2.019 88 A HA -0.155 4.166 4.320 0.002 0.000 0.219 88 A C 2.091 179.682 177.584 0.012 0.000 1.164 88 A CA 1.924 53.988 52.037 0.045 0.000 0.644 88 A CB -0.571 18.583 19.000 0.256 0.000 0.805 88 A HN 0.640 nan 8.150 nan 0.000 0.449 89 Q N -0.015 119.783 119.800 -0.003 0.000 2.444 89 Q HA 0.123 4.464 4.340 0.002 0.000 0.206 89 Q C 0.890 176.920 176.000 0.050 0.000 0.948 89 Q CA 0.384 56.206 55.803 0.032 0.000 0.946 89 Q CB -0.156 28.609 28.738 0.046 0.000 1.027 89 Q HN 0.514 nan 8.270 nan 0.000 0.513 90 S N 0.161 115.883 115.700 0.037 0.000 2.516 90 S HA 0.025 4.496 4.470 0.002 0.000 0.282 90 S C 0.613 175.245 174.600 0.054 0.000 1.286 90 S CA -0.145 58.105 58.200 0.084 0.000 1.066 90 S CB 0.470 63.735 63.200 0.107 0.000 0.884 90 S HN 0.165 nan 8.310 nan 0.000 0.491 91 Q N 2.164 121.999 119.800 0.058 0.000 2.189 91 Q HA 0.239 4.580 4.340 0.002 0.000 0.223 91 Q C -0.182 175.841 176.000 0.038 0.000 0.828 91 Q CA 0.082 55.910 55.803 0.043 0.000 0.967 91 Q CB 0.663 29.427 28.738 0.044 0.000 1.139 91 Q HN 0.786 nan 8.270 nan 0.000 0.497 92 Q N 0.982 120.810 119.800 0.045 0.000 2.312 92 Q HA 0.270 4.612 4.340 0.002 0.000 0.263 92 Q C -1.295 174.731 176.000 0.043 0.000 0.995 92 Q CA -0.326 55.500 55.803 0.037 0.000 0.853 92 Q CB 1.284 30.041 28.738 0.030 0.000 1.300 92 Q HN -0.171 nan 8.270 nan 0.000 0.448 93 D N 1.978 122.398 120.400 0.033 0.000 2.255 93 D HA 0.449 5.090 4.640 0.002 0.000 0.249 93 D C -0.008 176.314 176.300 0.037 0.000 1.078 93 D CA 0.130 54.151 54.000 0.035 0.000 0.896 93 D CB 1.430 42.245 40.800 0.025 0.000 1.194 93 D HN 0.683 nan 8.370 nan 0.000 0.429 94 G N 0.824 109.650 108.800 0.044 0.000 2.532 94 G HA2 0.350 4.311 3.960 0.002 0.000 0.291 94 G HA3 0.350 4.311 3.960 0.002 0.000 0.291 94 G C -1.536 173.385 174.900 0.035 0.000 1.349 94 G CA -0.689 44.437 45.100 0.042 0.000 1.038 94 G HN 0.344 nan 8.290 nan 0.000 0.518 95 P HA 0.145 nan 4.420 nan 0.000 0.245 95 P C 0.265 177.582 177.300 0.028 0.000 1.206 95 P CA -0.016 63.103 63.100 0.031 0.000 0.781 95 P CB 0.108 31.828 31.700 0.034 0.000 0.994 96 C N 0.703 120.021 119.300 0.031 0.000 2.443 96 C HA 0.641 5.102 4.460 0.002 0.000 0.369 96 C C 0.968 175.970 174.990 0.021 0.000 1.241 96 C CA 0.104 59.138 59.018 0.027 0.000 2.413 96 C CB 0.994 28.753 27.740 0.032 0.000 2.451 96 C HN 0.369 nan 8.230 nan 0.000 0.595 97 T N -1.914 112.650 114.554 0.016 0.000 2.843 97 T HA 0.404 4.755 4.350 0.002 0.000 0.302 97 T C -2.544 172.161 174.700 0.008 0.000 1.232 97 T CA -1.054 61.053 62.100 0.011 0.000 1.009 97 T CB 1.337 70.210 68.868 0.008 0.000 1.254 97 T HN 0.263 nan 8.240 nan 0.000 0.504 98 P HA 0.041 nan 4.420 nan 0.000 0.219 98 P C 1.427 178.727 177.300 0.001 0.000 1.146 98 P CA 0.757 63.858 63.100 0.002 0.000 0.808 98 P CB 0.130 31.829 31.700 -0.001 0.000 0.779 99 R N -0.746 119.755 120.500 0.002 0.000 2.115 99 R HA 0.023 4.364 4.340 0.002 0.000 0.226 99 R C 0.827 177.128 176.300 0.001 0.000 1.100 99 R CA 0.819 56.920 56.100 0.001 0.000 0.980 99 R CB -0.026 30.275 30.300 0.001 0.000 0.875 99 R HN 0.217 nan 8.270 nan 0.000 0.445 100 R N -0.345 120.157 120.500 0.003 0.000 2.604 100 R HA 0.147 4.488 4.340 0.002 0.000 0.261 100 R C -1.631 174.673 176.300 0.008 0.000 1.080 100 R CA -0.738 55.365 56.100 0.004 0.000 0.917 100 R CB 0.220 30.523 30.300 0.004 0.000 1.252 100 R HN 0.018 nan 8.270 nan 0.000 0.456 101 C N 3.703 123.007 119.300 0.007 0.000 2.369 101 C HA 0.586 5.047 4.460 0.002 0.000 0.358 101 C C 0.803 175.804 174.990 0.018 0.000 1.274 101 C CA -0.612 58.414 59.018 0.013 0.000 1.935 101 C CB -0.639 27.104 27.740 0.006 0.000 2.431 101 C HN 0.770 nan 8.230 nan 0.000 0.545 102 L N 5.550 126.790 121.223 0.027 0.000 3.202 102 L HA 0.280 4.621 4.340 0.002 0.000 0.278 102 L C 1.992 178.891 176.870 0.049 0.000 1.268 102 L CA 0.220 55.081 54.840 0.034 0.000 1.034 102 L CB -0.037 42.041 42.059 0.031 0.000 1.407 102 L HN 1.026 nan 8.230 nan 0.000 0.581 103 G N 0.280 109.111 108.800 0.052 0.000 2.498 103 G HA2 -0.237 3.724 3.960 0.002 0.000 0.219 103 G HA3 -0.237 3.724 3.960 0.002 0.000 0.219 103 G C 1.499 176.463 174.900 0.106 0.000 1.119 103 G CA 1.123 46.266 45.100 0.072 0.000 0.766 103 G HN 0.502 nan 8.290 nan 0.000 0.552 104 S N -0.590 115.169 115.700 0.099 0.000 2.593 104 S HA 0.332 4.803 4.470 0.002 0.000 0.217 104 S C 0.565 175.246 174.600 0.136 0.000 0.966 104 S CA -0.434 57.844 58.200 0.131 0.000 0.914 104 S CB 0.043 63.301 63.200 0.097 0.000 0.776 104 S HN -0.014 nan 8.310 nan 0.000 0.523 105 L N 1.892 123.180 121.223 0.108 0.000 2.371 105 L HA 0.309 4.650 4.340 0.002 0.000 0.272 105 L C 1.394 178.343 176.870 0.132 0.000 1.124 105 L CA 0.060 54.959 54.840 0.098 0.000 0.816 105 L CB 0.878 42.973 42.059 0.061 0.000 1.129 105 L HN -0.029 nan 8.230 nan 0.000 0.448 106 V N 2.953 122.949 119.914 0.136 0.000 2.346 106 V HA -0.028 4.093 4.120 0.002 0.000 0.244 106 V C 0.724 176.842 176.094 0.041 0.000 1.037 106 V CA 1.097 63.497 62.300 0.166 0.000 1.029 106 V CB -0.262 31.657 31.823 0.160 0.000 0.663 106 V HN 0.478 nan 8.190 nan 0.000 0.454 107 L N 0.675 121.888 121.223 -0.017 0.000 2.333 107 L HA 0.505 4.846 4.340 0.002 0.000 0.269 107 L C -2.078 174.799 176.870 0.011 0.000 1.010 107 L CA -1.547 53.258 54.840 -0.059 0.000 0.818 107 L CB 1.739 43.708 42.059 -0.149 0.000 1.306 107 L HN 0.102 nan 8.230 nan 0.000 0.430 108 P HA 0.620 nan 4.420 nan 0.000 0.349 108 P C -0.706 176.606 177.300 0.020 0.000 1.263 108 P CA -0.268 62.857 63.100 0.041 0.000 0.783 108 P CB 2.099 33.838 31.700 0.065 0.000 1.657 109 R N -2.767 117.745 120.500 0.020 0.000 2.707 109 R HA 0.159 4.500 4.340 0.002 0.000 0.101 109 R C 1.852 178.158 176.300 0.011 0.000 0.851 109 R CA 0.249 56.353 56.100 0.007 0.000 2.367 109 R CB -0.802 29.497 30.300 -0.000 0.000 1.548 109 R HN 0.100 nan 8.270 nan 0.000 0.505 110 K N 0.448 120.857 120.400 0.015 0.000 2.228 110 K HA 0.170 4.491 4.320 0.002 0.000 0.202 110 K C 0.647 177.258 176.600 0.019 0.000 1.051 110 K CA 0.880 57.175 56.287 0.014 0.000 0.960 110 K CB 0.227 32.736 32.500 0.015 0.000 0.743 110 K HN -0.039 nan 8.250 nan 0.000 0.458 111 L N 0.515 121.755 121.223 0.028 0.000 2.628 111 L HA 0.196 4.537 4.340 0.002 0.000 0.229 111 L C 0.819 177.714 176.870 0.041 0.000 1.137 111 L CA 0.169 55.029 54.840 0.032 0.000 0.909 111 L CB -0.485 41.598 42.059 0.039 0.000 1.137 111 L HN 0.048 nan 8.230 nan 0.000 0.470 112 Q N 0.091 119.914 119.800 0.038 0.000 2.447 112 Q HA 0.231 4.572 4.340 0.002 0.000 0.180 112 Q C -0.182 175.831 176.000 0.022 0.000 1.135 112 Q CA 0.544 56.371 55.803 0.040 0.000 1.206 112 Q CB 0.499 29.248 28.738 0.019 0.000 1.351 112 Q HN 0.154 nan 8.270 nan 0.000 0.646 113 T N 1.629 116.190 114.554 0.012 0.000 3.209 113 T HA 0.351 4.702 4.350 0.002 0.000 0.366 113 T C -0.832 173.861 174.700 -0.012 0.000 1.293 113 T CA -0.632 61.468 62.100 -0.001 0.000 1.417 113 T CB 0.397 69.267 68.868 0.003 0.000 1.013 113 T HN 0.320 nan 8.240 nan 0.000 0.572 114 R N 2.238 122.730 120.500 -0.013 0.000 2.817 114 R HA 0.126 4.467 4.340 0.002 0.000 0.264 114 R C -2.067 174.222 176.300 -0.019 0.000 1.009 114 R CA -1.032 55.058 56.100 -0.018 0.000 1.133 114 R CB -0.248 30.044 30.300 -0.013 0.000 1.013 114 R HN 0.321 nan 8.270 nan 0.000 0.453 115 P HA -0.109 nan 4.420 nan 0.000 0.271 115 P C -0.169 177.121 177.300 -0.016 0.000 1.212 115 P CA 0.556 63.645 63.100 -0.018 0.000 0.788 115 P CB 0.427 32.118 31.700 -0.015 0.000 0.865 116 S N 0.885 116.577 115.700 -0.014 0.000 2.474 116 S HA 0.285 4.756 4.470 0.002 0.000 0.224 116 S C -1.654 172.941 174.600 -0.008 0.000 1.209 116 S CA -1.117 57.074 58.200 -0.015 0.000 1.212 116 S CB -0.231 62.954 63.200 -0.024 0.000 1.137 116 S HN 0.295 nan 8.310 nan 0.000 0.446 117 P HA 0.244 nan 4.420 nan 0.000 0.230 117 P C 0.819 178.120 177.300 0.001 0.000 1.168 117 P CA 0.446 63.546 63.100 -0.000 0.000 0.793 117 P CB 0.088 31.789 31.700 0.001 0.000 0.851 118 G N 1.175 109.974 108.800 -0.000 0.000 2.511 118 G HA2 0.542 4.503 3.960 0.002 0.000 0.318 118 G HA3 0.542 4.503 3.960 0.002 0.000 0.318 118 G C -2.902 171.998 174.900 0.000 0.000 1.210 118 G CA -1.722 43.379 45.100 0.002 0.000 0.969 118 G HN -0.119 nan 8.290 nan 0.000 0.484 119 P HA 0.230 nan 4.420 nan 0.000 0.276 119 P C -2.403 174.900 177.300 0.004 0.000 1.235 119 P CA -0.955 62.148 63.100 0.005 0.000 0.772 119 P CB 0.923 32.631 31.700 0.012 0.000 0.871 120 P HA 0.185 nan 4.420 nan 0.000 0.268 120 P C -2.434 174.872 177.300 0.009 0.000 1.204 120 P CA -1.385 61.717 63.100 0.002 0.000 0.768 120 P CB -0.927 30.772 31.700 -0.002 0.000 0.842 121 P HA -0.128 nan 4.420 nan 0.000 0.252 121 P C 1.107 178.415 177.300 0.012 0.000 1.147 121 P CA 0.607 63.712 63.100 0.009 0.000 0.779 121 P CB -0.115 31.590 31.700 0.007 0.000 0.733 122 A N 5.052 127.879 122.820 0.012 0.000 1.958 122 A HA -0.277 4.044 4.320 0.002 0.000 0.221 122 A C 2.060 179.648 177.584 0.006 0.000 1.178 122 A CA 1.580 53.624 52.037 0.012 0.000 0.642 122 A CB -0.568 18.439 19.000 0.011 0.000 0.816 122 A HN 0.482 nan 8.150 nan 0.000 0.453 123 E N -0.786 119.418 120.200 0.005 0.000 2.031 123 E HA -0.236 4.115 4.350 0.002 0.000 0.193 123 E C 2.188 178.792 176.600 0.006 0.000 0.994 123 E CA 1.661 58.063 56.400 0.003 0.000 0.800 123 E CB -0.421 29.281 29.700 0.004 0.000 0.752 123 E HN 0.786 nan 8.360 nan 0.000 0.447 124 Q N 0.979 120.785 119.800 0.010 0.000 1.975 124 Q HA -0.166 4.176 4.340 0.002 0.000 0.205 124 Q C 2.251 178.263 176.000 0.021 0.000 0.990 124 Q CA 1.351 57.163 55.803 0.015 0.000 0.845 124 Q CB -0.631 28.116 28.738 0.014 0.000 0.913 124 Q HN 0.219 nan 8.270 nan 0.000 0.420 125 L N -0.071 121.167 121.223 0.024 0.000 2.013 125 L HA -0.178 4.163 4.340 0.002 0.000 0.212 125 L C 2.179 179.059 176.870 0.018 0.000 1.073 125 L CA 1.980 56.844 54.840 0.040 0.000 0.753 125 L CB -1.082 41.010 42.059 0.054 0.000 0.890 125 L HN 0.508 nan 8.230 nan 0.000 0.432 126 L N -1.106 120.109 121.223 -0.013 0.000 2.042 126 L HA -0.194 4.147 4.340 0.002 0.000 0.210 126 L C 2.709 179.563 176.870 -0.027 0.000 1.076 126 L CA 2.127 56.934 54.840 -0.054 0.000 0.749 126 L CB -1.018 41.015 42.059 -0.043 0.000 0.893 126 L HN 0.494 nan 8.230 nan 0.000 0.432 127 S N -1.156 114.546 115.700 0.003 0.000 2.353 127 S HA -0.265 4.206 4.470 0.002 0.000 0.222 127 S C 1.956 176.584 174.600 0.046 0.000 1.035 127 S CA 1.726 59.939 58.200 0.021 0.000 1.025 127 S CB -0.214 62.999 63.200 0.022 0.000 0.902 127 S HN 0.672 nan 8.310 nan 0.000 0.440 128 Q N 0.288 120.122 119.800 0.056 0.000 2.124 128 Q HA -0.036 4.305 4.340 0.002 0.000 0.202 128 Q C 2.504 178.590 176.000 0.143 0.000 0.977 128 Q CA 1.443 57.302 55.803 0.094 0.000 0.850 128 Q CB -0.380 28.407 28.738 0.082 0.000 0.901 128 Q HN 0.688 nan 8.270 nan 0.000 0.429 129 A N 1.358 124.233 122.820 0.092 0.000 1.873 129 A HA -0.191 4.130 4.320 0.002 0.000 0.215 129 A C 2.010 179.657 177.584 0.104 0.000 1.186 129 A CA 1.278 53.356 52.037 0.069 0.000 0.616 129 A CB -0.392 18.403 19.000 -0.341 0.000 0.823 129 A HN 0.203 nan 8.150 nan 0.000 0.442 130 R N -0.608 119.918 120.500 0.043 0.000 2.081 130 R HA -0.171 4.170 4.340 0.002 0.000 0.235 130 R C 1.994 178.370 176.300 0.126 0.000 1.131 130 R CA 1.625 57.767 56.100 0.068 0.000 0.960 130 R CB -0.494 29.826 30.300 0.032 0.000 0.856 130 R HN 0.707 nan 8.270 nan 0.000 0.436 131 D N 0.196 120.677 120.400 0.135 0.000 2.097 131 D HA -0.206 4.435 4.640 0.002 0.000 0.195 131 D C 1.643 178.065 176.300 0.204 0.000 0.989 131 D CA 1.028 55.119 54.000 0.151 0.000 0.827 131 D CB -0.070 40.815 40.800 0.141 0.000 0.966 131 D HN 0.119 nan 8.370 nan 0.000 0.456 132 F N 0.927 120.961 119.950 0.140 0.000 2.102 132 F HA -0.100 4.428 4.527 0.002 0.000 0.298 132 F C 1.981 177.912 175.800 0.218 0.000 1.105 132 F CA 1.089 59.204 58.000 0.192 0.000 1.239 132 F CB -0.348 38.773 39.000 0.202 0.000 0.991 132 F HN -0.018 nan 8.300 nan 0.000 0.474 133 I N 1.040 121.621 120.570 0.018 0.000 2.264 133 I HA -0.331 3.840 4.170 0.002 0.000 0.248 133 I C 2.106 178.224 176.117 0.002 0.000 1.111 133 I CA 1.272 62.569 61.300 -0.006 0.000 1.382 133 I CB -1.672 36.453 38.000 0.208 0.000 1.060 133 I HN 0.273 nan 8.210 nan 0.000 0.418 134 N N 0.882 119.623 118.700 0.068 0.000 2.084 134 N HA -0.201 4.541 4.740 0.002 0.000 0.190 134 N C 1.860 177.307 175.510 -0.106 0.000 1.030 134 N CA 1.214 54.291 53.050 0.046 0.000 0.849 134 N CB -0.314 38.250 38.487 0.128 0.000 1.012 134 N HN 0.511 nan 8.380 nan 0.000 0.423 135 Q N -0.331 119.419 119.800 -0.083 0.000 2.030 135 Q HA -0.209 4.133 4.340 0.002 0.000 0.204 135 Q C 1.911 177.675 176.000 -0.393 0.000 0.986 135 Q CA 1.529 57.282 55.803 -0.084 0.000 0.843 135 Q CB -0.345 28.480 28.738 0.146 0.000 0.904 135 Q HN 0.434 nan 8.270 nan 0.000 0.420 136 Y N 0.176 119.990 120.300 -0.811 0.000 2.081 136 Y HA -0.332 4.219 4.550 0.002 0.000 0.280 136 Y C 1.787 177.117 175.900 -0.951 0.000 1.163 136 Y CA 1.862 59.203 58.100 -1.264 0.000 1.135 136 Y CB -0.631 37.165 38.460 -1.107 0.000 0.970 136 Y HN 0.138 nan 8.280 nan 0.000 0.498 137 Y N -0.338 119.508 120.300 -0.756 0.000 2.421 137 Y HA -0.184 4.367 4.550 0.002 0.000 0.292 137 Y C 2.677 178.242 175.900 -0.558 0.000 1.136 137 Y CA 1.435 59.095 58.100 -0.734 0.000 1.255 137 Y CB -0.323 37.649 38.460 -0.814 0.000 0.991 137 Y HN 0.116 nan 8.280 nan 0.000 0.552 138 S N -0.746 114.736 115.700 -0.362 0.000 2.371 138 S HA -0.199 4.272 4.470 0.002 0.000 0.224 138 S C 2.268 176.708 174.600 -0.267 0.000 1.029 138 S CA 1.226 59.292 58.200 -0.223 0.000 0.978 138 S CB -0.598 62.521 63.200 -0.135 0.000 0.833 138 S HN 0.631 nan 8.310 nan 0.000 0.466 139 S N 2.663 118.113 115.700 -0.417 0.000 2.400 139 S HA -0.099 4.372 4.470 0.002 0.000 0.232 139 S C 1.453 175.836 174.600 -0.362 0.000 1.025 139 S CA 1.209 59.191 58.200 -0.362 0.000 0.993 139 S CB -0.865 61.980 63.200 -0.591 0.000 0.808 139 S HN 0.721 nan 8.310 nan 0.000 0.478 140 I N -2.820 117.440 120.570 -0.517 0.000 3.856 140 I HA 0.518 4.689 4.170 0.002 0.000 0.333 140 I C -0.155 175.823 176.117 -0.231 0.000 1.525 140 I CA -0.836 60.231 61.300 -0.389 0.000 1.173 140 I CB -0.372 37.301 38.000 -0.546 0.000 1.175 140 I HN -0.086 nan 8.210 nan 0.000 0.424 141 K N 1.401 121.692 120.400 -0.182 0.000 2.960 141 K HA -0.208 4.113 4.320 0.002 0.000 0.259 141 K C 0.323 176.885 176.600 -0.065 0.000 1.025 141 K CA 1.048 57.274 56.287 -0.102 0.000 0.756 141 K CB -1.684 30.773 32.500 -0.073 0.000 1.221 141 K HN 0.623 nan 8.250 nan 0.000 0.483 142 R N -0.328 120.138 120.500 -0.057 0.000 2.652 142 R HA 0.165 4.506 4.340 0.002 0.000 0.372 142 R C -0.087 176.257 176.300 0.073 0.000 1.104 142 R CA -0.175 55.947 56.100 0.038 0.000 1.072 142 R CB 1.142 31.514 30.300 0.121 0.000 1.367 142 R HN 0.153 nan 8.270 nan 0.000 0.577 143 S N -0.193 115.523 115.700 0.026 0.000 2.560 143 S HA 0.224 4.695 4.470 0.002 0.000 0.284 143 S C 1.468 176.170 174.600 0.170 0.000 1.327 143 S CA 1.192 59.447 58.200 0.092 0.000 1.055 143 S CB 0.649 63.873 63.200 0.040 0.000 0.868 143 S HN 0.700 nan 8.310 nan 0.000 0.506 144 G N 2.791 111.800 108.800 0.348 0.000 2.196 144 G HA2 -0.318 3.643 3.960 0.002 0.000 0.268 144 G HA3 -0.318 3.643 3.960 0.002 0.000 0.268 144 G C 0.379 175.270 174.900 -0.015 0.000 0.975 144 G CA 0.826 45.953 45.100 0.044 0.000 0.648 144 G HN 1.560 nan 8.290 nan 0.000 0.538 145 S N -1.081 114.628 115.700 0.014 0.000 2.634 145 S HA 0.375 4.846 4.470 0.002 0.000 0.254 145 S C 1.405 175.960 174.600 -0.073 0.000 1.299 145 S CA 0.740 58.926 58.200 -0.024 0.000 0.974 145 S CB 0.956 64.157 63.200 0.002 0.000 1.001 145 S HN 0.580 nan 8.310 nan 0.000 0.584 146 Q N 0.121 119.889 119.800 -0.054 0.000 2.083 146 Q HA -0.046 4.295 4.340 0.002 0.000 0.198 146 Q C 2.269 178.219 176.000 -0.083 0.000 0.969 146 Q CA 1.228 56.994 55.803 -0.062 0.000 0.838 146 Q CB -0.771 27.950 28.738 -0.029 0.000 0.900 146 Q HN 0.889 nan 8.270 nan 0.000 0.436 147 A N 0.549 123.329 122.820 -0.067 0.000 1.883 147 A HA -0.268 4.053 4.320 0.002 0.000 0.217 147 A C 1.917 179.317 177.584 -0.307 0.000 1.186 147 A CA 1.792 53.792 52.037 -0.061 0.000 0.624 147 A CB -1.220 17.847 19.000 0.112 0.000 0.822 147 A HN 0.730 nan 8.150 nan 0.000 0.444 148 H N -0.941 117.629 119.070 -0.834 0.000 2.289 148 H HA -0.176 4.381 4.556 0.002 0.000 0.296 148 H C 2.216 177.249 175.328 -0.493 0.000 1.091 148 H CA 1.679 56.997 56.048 -1.216 0.000 1.274 148 H CB -0.014 29.215 29.762 -0.888 0.000 1.364 148 H HN 0.625 nan 8.280 nan 0.000 0.490 149 E N -0.002 120.008 120.200 -0.317 0.000 2.077 149 E HA -0.171 4.180 4.350 0.002 0.000 0.193 149 E C 2.162 178.676 176.600 -0.143 0.000 0.989 149 E CA 1.375 57.616 56.400 -0.266 0.000 0.800 149 E CB 0.121 29.700 29.700 -0.202 0.000 0.746 149 E HN 0.662 nan 8.360 nan 0.000 0.452 150 E N 0.006 120.147 120.200 -0.099 0.000 2.208 150 E HA -0.183 4.169 4.350 0.002 0.000 0.193 150 E C 2.121 178.720 176.600 -0.002 0.000 0.988 150 E CA 0.481 56.857 56.400 -0.040 0.000 0.828 150 E CB -0.017 29.672 29.700 -0.017 0.000 0.763 150 E HN -0.032 nan 8.360 nan 0.000 0.478 151 R N 1.522 122.028 120.500 0.009 0.000 2.075 151 R HA -0.061 4.280 4.340 0.002 0.000 0.232 151 R C 2.087 178.436 176.300 0.080 0.000 1.126 151 R CA 1.067 57.226 56.100 0.099 0.000 0.963 151 R CB -0.597 29.841 30.300 0.229 0.000 0.858 151 R HN 0.146 nan 8.270 nan 0.000 0.435 152 L N 0.333 121.577 121.223 0.035 0.000 2.046 152 L HA -0.191 4.150 4.340 0.002 0.000 0.208 152 L C 2.522 179.382 176.870 -0.017 0.000 1.077 152 L CA 1.699 56.544 54.840 0.008 0.000 0.747 152 L CB -0.475 41.556 42.059 -0.046 0.000 0.896 152 L HN 0.304 nan 8.230 nan 0.000 0.432 153 Q N -0.285 119.501 119.800 -0.024 0.000 2.124 153 Q HA -0.227 4.114 4.340 0.002 0.000 0.202 153 Q C 2.059 178.060 176.000 0.002 0.000 0.977 153 Q CA 1.445 57.236 55.803 -0.019 0.000 0.850 153 Q CB -0.140 28.584 28.738 -0.023 0.000 0.901 153 Q HN 0.575 nan 8.270 nan 0.000 0.429 154 E N 0.187 120.402 120.200 0.024 0.000 2.031 154 E HA -0.157 4.194 4.350 0.002 0.000 0.193 154 E C 2.188 178.819 176.600 0.052 0.000 0.994 154 E CA 1.435 57.866 56.400 0.051 0.000 0.800 154 E CB -0.026 29.722 29.700 0.081 0.000 0.752 154 E HN 0.132 nan 8.360 nan 0.000 0.447 155 V N 2.138 122.069 119.914 0.029 0.000 2.287 155 V HA -0.265 3.856 4.120 0.002 0.000 0.248 155 V C 2.244 178.285 176.094 -0.088 0.000 1.053 155 V CA 1.799 64.061 62.300 -0.064 0.000 1.027 155 V CB -0.572 31.123 31.823 -0.214 0.000 0.646 155 V HN 0.228 nan 8.190 nan 0.000 0.447 156 E N 0.519 120.681 120.200 -0.062 0.000 2.038 156 E HA -0.255 4.096 4.350 0.002 0.000 0.195 156 E C 2.423 179.016 176.600 -0.012 0.000 1.000 156 E CA 1.642 58.015 56.400 -0.046 0.000 0.803 156 E CB -0.506 29.174 29.700 -0.034 0.000 0.750 156 E HN 0.585 nan 8.360 nan 0.000 0.448 157 A N 1.437 124.260 122.820 0.006 0.000 1.883 157 A HA -0.265 4.056 4.320 0.002 0.000 0.217 157 A C 2.108 179.719 177.584 0.044 0.000 1.186 157 A CA 1.929 53.980 52.037 0.023 0.000 0.624 157 A CB -0.569 18.447 19.000 0.028 0.000 0.822 157 A HN 0.278 nan 8.150 nan 0.000 0.444 158 E N -0.536 119.705 120.200 0.068 0.000 2.072 158 E HA -0.108 4.243 4.350 0.002 0.000 0.191 158 E C 1.968 178.633 176.600 0.108 0.000 0.985 158 E CA 1.248 57.716 56.400 0.113 0.000 0.801 158 E CB -0.089 29.727 29.700 0.192 0.000 0.750 158 E HN 0.355 nan 8.360 nan 0.000 0.452 159 V N 1.184 121.144 119.914 0.078 0.000 2.295 159 V HA -0.274 3.847 4.120 0.002 0.000 0.246 159 V C 2.420 178.541 176.094 0.044 0.000 1.049 159 V CA 1.823 64.161 62.300 0.063 0.000 1.024 159 V CB -0.818 31.006 31.823 0.001 0.000 0.648 159 V HN 0.397 nan 8.190 nan 0.000 0.447 160 A N -0.478 122.358 122.820 0.027 0.000 1.978 160 A HA -0.216 4.105 4.320 0.002 0.000 0.220 160 A C 2.414 180.016 177.584 0.029 0.000 1.170 160 A CA 2.511 54.560 52.037 0.021 0.000 0.636 160 A CB -0.482 18.526 19.000 0.013 0.000 0.810 160 A HN 0.541 nan 8.150 nan 0.000 0.448 161 S N -1.714 114.010 115.700 0.039 0.000 2.475 161 S HA -0.009 4.462 4.470 0.002 0.000 0.224 161 S C 1.845 176.474 174.600 0.048 0.000 1.042 161 S CA 1.228 59.452 58.200 0.040 0.000 0.935 161 S CB 0.085 63.310 63.200 0.041 0.000 0.801 161 S HN 0.877 nan 8.310 nan 0.000 0.509 162 T N -2.204 112.388 114.554 0.064 0.000 3.003 162 T HA 0.448 4.799 4.350 0.002 0.000 0.261 162 T C 1.373 176.113 174.700 0.066 0.000 1.003 162 T CA 0.756 62.899 62.100 0.071 0.000 0.917 162 T CB 0.474 69.403 68.868 0.101 0.000 1.084 162 T HN 0.495 nan 8.240 nan 0.000 0.522 163 G N 0.266 109.103 108.800 0.062 0.000 2.148 163 G HA2 -0.150 3.811 3.960 0.002 0.000 0.254 163 G HA3 -0.150 3.811 3.960 0.002 0.000 0.254 163 G C 0.149 175.088 174.900 0.066 0.000 0.981 163 G CA 0.565 45.697 45.100 0.052 0.000 0.670 163 G HN 1.086 nan 8.290 nan 0.000 0.528 164 T N -1.766 112.849 114.554 0.103 0.000 2.658 164 T HA 0.656 5.007 4.350 0.002 0.000 0.305 164 T C -1.109 173.741 174.700 0.250 0.000 1.551 164 T CA 0.426 62.606 62.100 0.134 0.000 0.985 164 T CB 1.072 69.945 68.868 0.008 0.000 1.731 164 T HN 1.607 nan 8.240 nan 0.000 0.486 165 Y N -0.830 119.426 120.300 -0.074 0.000 2.905 165 Y HA 0.854 5.405 4.550 0.002 0.000 0.322 165 Y C -1.589 174.199 175.900 -0.187 0.000 1.455 165 Y CA -1.205 56.910 58.100 0.024 0.000 1.083 165 Y CB 0.911 39.407 38.460 0.061 0.000 1.473 165 Y HN 0.790 nan 8.280 nan 0.000 0.449 166 H N 0.254 119.263 119.070 -0.102 0.000 2.895 166 H HA 0.661 5.218 4.556 0.002 0.000 0.373 166 H C -1.234 174.043 175.328 -0.084 0.000 1.174 166 H CA -0.806 55.127 56.048 -0.191 0.000 1.144 166 H CB 2.097 31.836 29.762 -0.039 0.000 1.793 166 H HN 0.703 nan 8.280 nan 0.000 0.551 167 L N 1.551 122.783 121.223 0.014 0.000 2.360 167 L HA 0.557 4.898 4.340 0.002 0.000 0.271 167 L C 0.346 177.260 176.870 0.073 0.000 1.057 167 L CA -0.841 54.046 54.840 0.078 0.000 0.803 167 L CB 1.029 43.112 42.059 0.041 0.000 1.207 167 L HN 0.384 nan 8.230 nan 0.000 0.445 168 R N 0.586 121.111 120.500 0.043 0.000 2.459 168 R HA 0.084 4.425 4.340 0.002 0.000 0.281 168 R C 0.880 177.159 176.300 -0.035 0.000 1.050 168 R CA -0.459 55.643 56.100 0.002 0.000 1.055 168 R CB 1.271 31.557 30.300 -0.023 0.000 1.045 168 R HN 0.654 nan 8.270 nan 0.000 0.495 169 E N 1.517 121.700 120.200 -0.029 0.000 2.114 169 E HA -0.301 4.050 4.350 0.002 0.000 0.199 169 E C 1.489 178.062 176.600 -0.044 0.000 1.008 169 E CA 2.404 58.779 56.400 -0.042 0.000 0.810 169 E CB 0.088 29.770 29.700 -0.030 0.000 0.739 169 E HN 0.688 nan 8.360 nan 0.000 0.456 170 S N 0.122 115.794 115.700 -0.048 0.000 2.370 170 S HA -0.233 4.238 4.470 0.002 0.000 0.226 170 S C 1.795 176.350 174.600 -0.074 0.000 1.033 170 S CA 1.476 59.662 58.200 -0.024 0.000 1.011 170 S CB -0.422 62.779 63.200 0.002 0.000 0.852 170 S HN 0.421 nan 8.310 nan 0.000 0.457 171 E N 0.936 120.971 120.200 -0.275 0.000 2.107 171 E HA -0.013 4.338 4.350 0.002 0.000 0.191 171 E C 2.065 178.775 176.600 0.183 0.000 0.982 171 E CA 0.951 57.212 56.400 -0.231 0.000 0.809 171 E CB -0.344 29.229 29.700 -0.212 0.000 0.756 171 E HN 0.438 nan 8.360 nan 0.000 0.459 172 L N 1.000 122.238 121.223 0.025 0.000 2.017 172 L HA -0.169 4.172 4.340 0.002 0.000 0.208 172 L C 2.251 179.098 176.870 -0.038 0.000 1.073 172 L CA 1.411 56.206 54.840 -0.075 0.000 0.745 172 L CB -0.349 41.608 42.059 -0.171 0.000 0.894 172 L HN -0.059 nan 8.230 nan 0.000 0.432 173 V N -0.434 119.485 119.914 0.008 0.000 2.332 173 V HA -0.328 3.793 4.120 0.002 0.000 0.248 173 V C 2.333 178.508 176.094 0.135 0.000 1.055 173 V CA 2.210 64.529 62.300 0.033 0.000 1.038 173 V CB -0.957 30.891 31.823 0.041 0.000 0.651 173 V HN 0.575 nan 8.190 nan 0.000 0.450 174 F N 1.910 121.936 119.950 0.127 0.000 2.146 174 F HA 0.014 4.543 4.527 0.002 0.000 0.298 174 F C 2.165 178.114 175.800 0.249 0.000 1.096 174 F CA 1.576 59.713 58.000 0.227 0.000 1.275 174 F CB -0.855 38.355 39.000 0.349 0.000 1.008 174 F HN 0.121 nan 8.300 nan 0.000 0.480 175 G N -0.116 108.781 108.800 0.162 0.000 2.418 175 G HA2 -0.215 3.746 3.960 0.002 0.000 0.217 175 G HA3 -0.215 3.746 3.960 0.002 0.000 0.217 175 G C 1.849 176.619 174.900 -0.216 0.000 1.158 175 G CA 0.868 45.931 45.100 -0.062 0.000 0.771 175 G HN 0.621 nan 8.290 nan 0.000 0.545 176 A N 1.072 123.792 122.820 -0.166 0.000 1.865 176 A HA -0.070 4.251 4.320 0.002 0.000 0.217 176 A C 2.309 179.891 177.584 -0.003 0.000 1.191 176 A CA 2.100 54.054 52.037 -0.137 0.000 0.623 176 A CB -0.445 18.503 19.000 -0.086 0.000 0.826 176 A HN 0.382 nan 8.150 nan 0.000 0.444 177 K N -0.820 119.615 120.400 0.058 0.000 2.097 177 K HA -0.154 4.167 4.320 0.002 0.000 0.206 177 K C 2.281 178.959 176.600 0.130 0.000 1.049 177 K CA 1.385 57.816 56.287 0.241 0.000 0.933 177 K CB -0.148 32.522 32.500 0.284 0.000 0.717 177 K HN 0.415 nan 8.250 nan 0.000 0.442 178 Q N 0.103 119.795 119.800 -0.179 0.000 2.119 178 Q HA -0.057 4.284 4.340 0.002 0.000 0.201 178 Q C 2.186 178.053 176.000 -0.222 0.000 0.972 178 Q CA 1.373 56.979 55.803 -0.328 0.000 0.847 178 Q CB -0.213 28.239 28.738 -0.478 0.000 0.903 178 Q HN 0.330 nan 8.270 nan 0.000 0.433 179 A N 0.291 122.984 122.820 -0.212 0.000 1.902 179 A HA -0.185 4.136 4.320 0.002 0.000 0.217 179 A C 1.822 179.444 177.584 0.062 0.000 1.181 179 A CA 1.380 53.242 52.037 -0.292 0.000 0.623 179 A CB -0.963 17.520 19.000 -0.862 0.000 0.818 179 A HN 0.524 nan 8.150 nan 0.000 0.443 180 W N 0.971 122.297 121.300 0.043 0.000 2.355 180 W HA -0.143 4.518 4.660 0.002 0.000 0.309 180 W C 2.362 178.840 176.519 -0.068 0.000 1.206 180 W CA 1.618 59.007 57.345 0.074 0.000 1.284 180 W CB -0.773 28.716 29.460 0.048 0.000 1.145 180 W HN 0.367 nan 8.180 nan 0.000 0.502 181 R N 0.297 120.728 120.500 -0.114 0.000 2.117 181 R HA -0.203 4.139 4.340 0.002 0.000 0.243 181 R C 1.595 177.725 176.300 -0.283 0.000 1.143 181 R CA 1.924 57.724 56.100 -0.500 0.000 0.968 181 R CB -0.589 29.103 30.300 -1.014 0.000 0.863 181 R HN 0.148 nan 8.270 nan 0.000 0.444 182 N N 0.317 118.909 118.700 -0.180 0.000 2.467 182 N HA 0.009 4.751 4.740 0.002 0.000 0.184 182 N C -0.231 175.228 175.510 -0.084 0.000 1.106 182 N CA 0.634 53.601 53.050 -0.138 0.000 0.892 182 N CB 0.312 38.721 38.487 -0.131 0.000 0.969 182 N HN 0.162 nan 8.380 nan 0.000 0.454 183 A N 2.361 125.181 122.820 -0.001 0.000 2.500 183 A HA 0.170 4.491 4.320 0.002 0.000 0.285 183 A C -1.197 176.361 177.584 -0.043 0.000 1.183 183 A CA -0.818 51.222 52.037 0.005 0.000 0.851 183 A CB 0.189 19.241 19.000 0.087 0.000 1.091 183 A HN 0.023 nan 8.150 nan 0.000 0.521 184 P HA -0.120 nan 4.420 nan 0.000 0.220 184 P C 1.099 178.339 177.300 -0.101 0.000 1.148 184 P CA 1.146 64.180 63.100 -0.110 0.000 0.803 184 P CB 0.156 31.759 31.700 -0.161 0.000 0.782 185 R N -2.147 118.258 120.500 -0.160 0.000 2.317 185 R HA 0.145 4.486 4.340 0.002 0.000 0.208 185 R C 0.245 176.556 176.300 0.019 0.000 0.914 185 R CA -0.133 55.894 56.100 -0.122 0.000 1.060 185 R CB -0.441 29.560 30.300 -0.497 0.000 1.015 185 R HN 0.178 nan 8.270 nan 0.000 0.498 186 C N 0.677 119.968 119.300 -0.015 0.000 2.303 186 C HA 0.208 4.669 4.460 0.002 0.000 0.341 186 C C 1.899 176.830 174.990 -0.097 0.000 1.244 186 C CA -0.641 58.390 59.018 0.022 0.000 1.765 186 C CB 0.547 28.367 27.740 0.134 0.000 2.379 186 C HN 0.286 nan 8.230 nan 0.000 0.530 187 V N 5.944 125.764 119.914 -0.157 0.000 3.306 187 V HA 0.219 4.340 4.120 0.002 0.000 0.264 187 V C 1.709 177.789 176.094 -0.024 0.000 1.149 187 V CA 2.037 64.124 62.300 -0.354 0.000 1.143 187 V CB -0.085 31.578 31.823 -0.267 0.000 0.767 187 V HN 1.059 nan 8.190 nan 0.000 0.476 188 G N -0.578 108.261 108.800 0.064 0.000 3.609 188 G HA2 0.099 4.060 3.960 0.002 0.000 0.280 188 G HA3 0.099 4.060 3.960 0.002 0.000 0.280 188 G C 1.109 176.049 174.900 0.067 0.000 1.155 188 G CA -0.388 44.777 45.100 0.109 0.000 0.876 188 G HN 0.423 nan 8.290 nan 0.000 0.535 189 R N -0.180 120.276 120.500 -0.073 0.000 2.357 189 R HA 0.126 4.467 4.340 0.002 0.000 0.202 189 R C 1.914 177.805 176.300 -0.682 0.000 1.047 189 R CA 0.133 55.901 56.100 -0.552 0.000 1.034 189 R CB -0.105 29.838 30.300 -0.595 0.000 0.875 189 R HN 0.450 nan 8.270 nan 0.000 0.473 190 I N 0.857 121.208 120.570 -0.365 0.000 2.756 190 I HA -0.219 3.952 4.170 0.002 0.000 0.262 190 I C 1.228 177.259 176.117 -0.143 0.000 1.225 190 I CA 1.160 62.391 61.300 -0.115 0.000 1.472 190 I CB 0.179 38.214 38.000 0.058 0.000 1.094 190 I HN 0.201 nan 8.210 nan 0.000 0.454 191 Q N 0.410 120.057 119.800 -0.256 0.000 2.360 191 Q HA -0.084 4.257 4.340 0.002 0.000 0.202 191 Q C 1.575 177.144 176.000 -0.718 0.000 0.915 191 Q CA 0.207 55.857 55.803 -0.255 0.000 0.943 191 Q CB -0.144 28.619 28.738 0.041 0.000 1.064 191 Q HN 0.778 nan 8.270 nan 0.000 0.511 192 W N 0.101 120.642 121.300 -1.265 0.000 2.359 192 W HA -0.120 4.541 4.660 0.002 0.000 0.275 192 W C 0.999 177.224 176.519 -0.490 0.000 1.217 192 W CA 1.165 57.631 57.345 -1.464 0.000 1.196 192 W CB -1.002 27.811 29.460 -1.080 0.000 1.129 192 W HN 0.054 nan 8.180 nan 0.000 0.566 193 G N 1.051 109.199 108.800 -1.085 0.000 2.623 193 G HA2 -0.141 3.821 3.960 0.002 0.000 0.214 193 G HA3 -0.141 3.821 3.960 0.002 0.000 0.214 193 G C 0.717 175.419 174.900 -0.331 0.000 1.138 193 G CA -0.093 44.459 45.100 -0.913 0.000 0.794 193 G HN 0.227 nan 8.290 nan 0.000 0.535 194 K N 0.326 120.634 120.400 -0.154 0.000 2.357 194 K HA 0.535 4.856 4.320 0.002 0.000 0.251 194 K C -1.665 175.047 176.600 0.186 0.000 1.069 194 K CA -0.668 55.633 56.287 0.023 0.000 0.994 194 K CB 0.389 32.925 32.500 0.060 0.000 1.411 194 K HN 0.060 nan 8.250 nan 0.000 0.450 195 L N 3.293 124.595 121.223 0.133 0.000 2.476 195 L HA 0.311 4.652 4.340 0.002 0.000 0.269 195 L C -1.361 175.481 176.870 -0.046 0.000 0.965 195 L CA -0.393 54.520 54.840 0.120 0.000 0.845 195 L CB 1.949 44.149 42.059 0.236 0.000 1.259 195 L HN 0.507 nan 8.230 nan 0.000 0.403 196 Q N 3.378 123.088 119.800 -0.151 0.000 2.307 196 Q HA 0.492 4.833 4.340 0.002 0.000 0.259 196 Q C -1.541 174.097 176.000 -0.602 0.000 0.998 196 Q CA -0.028 55.510 55.803 -0.442 0.000 0.923 196 Q CB 1.116 29.446 28.738 -0.680 0.000 1.196 196 Q HN 0.523 nan 8.270 nan 0.000 0.416 197 V N 6.413 126.005 119.914 -0.536 0.000 2.350 197 V HA 0.369 4.490 4.120 0.002 0.000 0.276 197 V C -0.689 175.095 176.094 -0.516 0.000 1.028 197 V CA -0.513 61.531 62.300 -0.426 0.000 0.860 197 V CB 0.222 31.909 31.823 -0.227 0.000 0.990 197 V HN 0.637 nan 8.190 nan 0.000 0.453 198 F N 2.867 122.684 119.950 -0.222 0.000 2.371 198 F HA 0.356 4.884 4.527 0.002 0.000 0.363 198 F C 0.521 176.179 175.800 -0.237 0.000 1.122 198 F CA -1.063 56.817 58.000 -0.200 0.000 1.129 198 F CB 0.917 39.809 39.000 -0.180 0.000 1.173 198 F HN 0.438 nan 8.300 nan 0.000 0.489 199 D N 3.170 123.553 120.400 -0.029 0.000 2.336 199 D HA 0.377 5.018 4.640 0.002 0.000 0.249 199 D C 0.150 176.323 176.300 -0.210 0.000 1.213 199 D CA 0.117 54.034 54.000 -0.139 0.000 0.870 199 D CB 1.159 41.908 40.800 -0.085 0.000 1.076 199 D HN 0.607 nan 8.370 nan 0.000 0.483 200 A N 4.568 127.087 122.820 -0.502 0.000 2.631 200 A HA 0.168 4.489 4.320 0.002 0.000 0.294 200 A C 1.541 178.792 177.584 -0.554 0.000 1.156 200 A CA -0.410 51.056 52.037 -0.952 0.000 0.963 200 A CB 0.065 17.946 19.000 -1.866 0.000 1.202 200 A HN 0.572 nan 8.150 nan 0.000 0.523 201 R N 0.792 121.121 120.500 -0.284 0.000 2.328 201 R HA -0.067 4.274 4.340 0.002 0.000 0.207 201 R C -0.143 176.103 176.300 -0.089 0.000 1.056 201 R CA 1.124 57.136 56.100 -0.147 0.000 1.016 201 R CB -0.032 30.244 30.300 -0.040 0.000 0.872 201 R HN 0.573 nan 8.270 nan 0.000 0.471 202 D N -0.734 119.631 120.400 -0.059 0.000 2.538 202 D HA 0.008 4.649 4.640 0.002 0.000 0.234 202 D C -0.420 175.943 176.300 0.105 0.000 1.191 202 D CA -0.302 53.725 54.000 0.044 0.000 0.828 202 D CB -0.381 40.476 40.800 0.095 0.000 0.981 202 D HN -0.018 nan 8.370 nan 0.000 0.490 203 C N 1.211 120.530 119.300 0.031 0.000 2.303 203 C HA 0.563 5.024 4.460 0.002 0.000 0.326 203 C C 1.284 176.378 174.990 0.174 0.000 1.285 203 C CA -0.189 58.907 59.018 0.129 0.000 1.675 203 C CB 0.260 28.053 27.740 0.088 0.000 2.289 203 C HN 0.459 nan 8.230 nan 0.000 0.512 204 S N 2.488 118.350 115.700 0.270 0.000 2.666 204 S HA 0.321 4.792 4.470 0.002 0.000 0.239 204 S C 0.053 174.826 174.600 0.288 0.000 1.031 204 S CA 0.164 58.557 58.200 0.321 0.000 1.015 204 S CB -0.189 63.132 63.200 0.202 0.000 0.981 204 S HN 1.164 nan 8.310 nan 0.000 0.547 205 S N -0.501 115.370 115.700 0.285 0.000 2.596 205 S HA 0.815 5.286 4.470 0.002 0.000 0.270 205 S C 0.789 175.488 174.600 0.165 0.000 1.155 205 S CA -0.331 57.980 58.200 0.185 0.000 0.827 205 S CB 0.943 64.229 63.200 0.143 0.000 1.130 205 S HN 0.469 nan 8.310 nan 0.000 0.467 206 A N 0.604 123.493 122.820 0.116 0.000 1.930 206 A HA -0.051 4.270 4.320 0.002 0.000 0.217 206 A C 2.090 179.659 177.584 -0.024 0.000 1.175 206 A CA 2.087 54.172 52.037 0.080 0.000 0.627 206 A CB -1.152 17.967 19.000 0.199 0.000 0.815 206 A HN 0.886 nan 8.150 nan 0.000 0.443 207 Q N 0.325 120.211 119.800 0.142 0.000 2.170 207 Q HA -0.159 4.182 4.340 0.002 0.000 0.203 207 Q C 1.710 177.746 176.000 0.059 0.000 0.976 207 Q CA 2.232 58.102 55.803 0.112 0.000 0.858 207 Q CB -0.347 28.534 28.738 0.238 0.000 0.907 207 Q HN 0.756 nan 8.270 nan 0.000 0.433 208 E N -0.676 119.591 120.200 0.112 0.000 2.072 208 E HA -0.111 4.240 4.350 0.002 0.000 0.190 208 E C 2.019 178.776 176.600 0.262 0.000 0.982 208 E CA 1.173 57.679 56.400 0.177 0.000 0.803 208 E CB -0.117 29.734 29.700 0.251 0.000 0.755 208 E HN 0.433 nan 8.360 nan 0.000 0.453 209 M N 0.087 119.775 119.600 0.147 0.000 2.108 209 M HA -0.185 4.296 4.480 0.002 0.000 0.261 209 M C 2.184 178.514 176.300 0.049 0.000 1.066 209 M CA 1.484 56.801 55.300 0.028 0.000 1.107 209 M CB -0.346 32.014 32.600 -0.401 0.000 1.356 209 M HN 0.138 nan 8.290 nan 0.000 0.406 210 F N 0.825 120.578 119.950 -0.328 0.000 2.134 210 F HA -0.237 4.291 4.527 0.002 0.000 0.299 210 F C 2.290 177.992 175.800 -0.164 0.000 1.097 210 F CA 1.773 59.522 58.000 -0.418 0.000 1.264 210 F CB -0.187 38.242 39.000 -0.951 0.000 1.001 210 F HN 0.027 nan 8.300 nan 0.000 0.479 211 T N -0.392 114.039 114.554 -0.206 0.000 2.708 211 T HA -0.214 4.137 4.350 0.002 0.000 0.266 211 T C 1.546 176.088 174.700 -0.262 0.000 1.037 211 T CA 1.835 63.767 62.100 -0.281 0.000 1.146 211 T CB -0.685 68.071 68.868 -0.185 0.000 0.865 211 T HN 0.327 nan 8.240 nan 0.000 0.435 212 Y N 1.074 121.313 120.300 -0.101 0.000 2.097 212 Y HA -0.100 4.451 4.550 0.002 0.000 0.282 212 Y C 2.330 178.151 175.900 -0.132 0.000 1.152 212 Y CA 1.128 59.174 58.100 -0.091 0.000 1.136 212 Y CB -0.423 38.083 38.460 0.076 0.000 0.975 212 Y HN 0.144 nan 8.280 nan 0.000 0.498 213 I N -1.397 119.237 120.570 0.107 0.000 2.335 213 I HA -0.382 3.789 4.170 0.002 0.000 0.251 213 I C 2.230 178.237 176.117 -0.182 0.000 1.129 213 I CA 0.987 62.269 61.300 -0.030 0.000 1.402 213 I CB -0.458 37.516 38.000 -0.043 0.000 1.069 213 I HN 0.370 nan 8.210 nan 0.000 0.424 214 C N 0.543 119.627 119.300 -0.360 0.000 2.450 214 C HA -0.082 4.379 4.460 0.002 0.000 0.279 214 C C 2.567 177.434 174.990 -0.205 0.000 1.335 214 C CA 0.629 59.431 59.018 -0.361 0.000 1.749 214 C CB -1.295 26.110 27.740 -0.558 0.000 1.963 214 C HN 0.548 nan 8.230 nan 0.000 0.501 215 N N -0.065 118.504 118.700 -0.219 0.000 2.216 215 N HA -0.109 4.632 4.740 0.002 0.000 0.183 215 N C 1.468 176.857 175.510 -0.203 0.000 1.017 215 N CA 1.171 54.085 53.050 -0.227 0.000 0.861 215 N CB -0.726 37.554 38.487 -0.345 0.000 0.986 215 N HN 0.746 nan 8.380 nan 0.000 0.428 216 H N 0.924 119.796 119.070 -0.331 0.000 2.321 216 H HA 0.047 4.604 4.556 0.002 0.000 0.300 216 H C 2.132 177.474 175.328 0.024 0.000 1.087 216 H CA 1.449 57.380 56.048 -0.196 0.000 1.319 216 H CB 0.001 29.709 29.762 -0.090 0.000 1.379 216 H HN 0.066 nan 8.280 nan 0.000 0.501 217 I N 0.752 121.447 120.570 0.209 0.000 2.226 217 I HA -0.261 3.910 4.170 0.002 0.000 0.245 217 I C 2.404 178.596 176.117 0.125 0.000 1.100 217 I CA 1.325 62.716 61.300 0.151 0.000 1.374 217 I CB -0.262 37.743 38.000 0.008 0.000 1.057 217 I HN 0.326 nan 8.210 nan 0.000 0.413 218 K N 0.047 120.488 120.400 0.067 0.000 2.026 218 K HA -0.243 4.078 4.320 0.002 0.000 0.208 218 K C 2.237 178.895 176.600 0.097 0.000 1.048 218 K CA 1.825 58.144 56.287 0.053 0.000 0.929 218 K CB -0.462 32.046 32.500 0.013 0.000 0.713 218 K HN 0.271 nan 8.250 nan 0.000 0.439 219 Y N 1.534 121.854 120.300 0.034 0.000 2.089 219 Y HA -0.231 4.320 4.550 0.002 0.000 0.282 219 Y C 2.303 178.271 175.900 0.113 0.000 1.139 219 Y CA 1.550 59.706 58.100 0.092 0.000 1.123 219 Y CB -0.538 38.036 38.460 0.189 0.000 0.980 219 Y HN 0.048 nan 8.280 nan 0.000 0.493 220 A N -0.531 122.507 122.820 0.364 0.000 1.908 220 A HA -0.215 4.106 4.320 0.002 0.000 0.218 220 A C 2.203 179.868 177.584 0.135 0.000 1.181 220 A CA 2.481 54.680 52.037 0.271 0.000 0.627 220 A CB -1.391 17.815 19.000 0.344 0.000 0.818 220 A HN 0.560 nan 8.150 nan 0.000 0.445 221 T N -0.539 114.085 114.554 0.118 0.000 2.777 221 T HA -0.101 4.250 4.350 0.002 0.000 0.266 221 T C 1.010 175.725 174.700 0.025 0.000 1.040 221 T CA 0.902 63.055 62.100 0.088 0.000 1.141 221 T CB -0.546 68.370 68.868 0.080 0.000 0.868 221 T HN 0.752 nan 8.240 nan 0.000 0.444 222 N N 1.136 119.819 118.700 -0.030 0.000 2.707 222 N HA -0.290 4.452 4.740 0.002 0.000 0.253 222 N C -0.557 174.929 175.510 -0.040 0.000 0.998 222 N CA 0.052 53.057 53.050 -0.076 0.000 0.751 222 N CB -0.486 37.915 38.487 -0.144 0.000 0.920 222 N HN 0.388 nan 8.380 nan 0.000 0.539 223 R N -2.371 118.118 120.500 -0.018 0.000 3.758 223 R HA -0.247 4.094 4.340 0.002 0.000 0.299 223 R C 1.188 177.479 176.300 -0.016 0.000 1.182 223 R CA 1.147 57.238 56.100 -0.016 0.000 0.809 223 R CB -2.251 28.035 30.300 -0.024 0.000 1.249 223 R HN 0.898 nan 8.270 nan 0.000 0.497 224 G N 0.050 108.850 108.800 0.000 0.000 2.218 224 G HA2 -0.306 3.655 3.960 0.002 0.000 0.216 224 G HA3 -0.306 3.655 3.960 0.002 0.000 0.216 224 G C -0.034 174.867 174.900 0.001 0.000 0.994 224 G CA 0.128 45.230 45.100 0.005 0.000 0.637 224 G HN 0.467 nan 8.290 nan 0.000 0.505 225 N N 1.089 119.777 118.700 -0.020 0.000 3.301 225 N HA 0.447 5.188 4.740 0.002 0.000 0.289 225 N C 0.320 175.818 175.510 -0.020 0.000 1.343 225 N CA -0.742 52.280 53.050 -0.046 0.000 1.136 225 N CB -0.093 38.356 38.487 -0.062 0.000 1.402 225 N HN 0.138 nan 8.380 nan 0.000 0.516 226 L N 1.996 123.245 121.223 0.044 0.000 2.573 226 L HA -0.041 4.300 4.340 0.002 0.000 0.290 226 L C 0.597 177.607 176.870 0.233 0.000 1.247 226 L CA 1.212 56.152 54.840 0.166 0.000 0.876 226 L CB 0.083 42.331 42.059 0.315 0.000 1.123 226 L HN 0.367 nan 8.230 nan 0.000 0.505 227 R N 1.410 122.059 120.500 0.248 0.000 2.575 227 R HA 0.433 4.774 4.340 0.002 0.000 0.293 227 R C -0.689 175.796 176.300 0.307 0.000 0.983 227 R CA -0.715 55.558 56.100 0.288 0.000 0.887 227 R CB 1.670 32.024 30.300 0.091 0.000 1.184 227 R HN 0.562 nan 8.270 nan 0.000 0.445 228 S N 1.465 117.322 115.700 0.262 0.000 2.549 228 S HA 0.419 4.890 4.470 0.002 0.000 0.286 228 S C -0.167 174.459 174.600 0.044 0.000 1.314 228 S CA -0.131 58.101 58.200 0.053 0.000 1.062 228 S CB 1.076 64.225 63.200 -0.085 0.000 0.865 228 S HN 0.698 nan 8.310 nan 0.000 0.498 229 A N 2.658 125.454 122.820 -0.040 0.000 2.606 229 A HA 0.840 5.161 4.320 0.002 0.000 0.293 229 A C -1.227 176.304 177.584 -0.087 0.000 1.082 229 A CA -0.670 51.267 52.037 -0.167 0.000 0.685 229 A CB 1.227 20.062 19.000 -0.275 0.000 1.284 229 A HN 0.799 nan 8.150 nan 0.000 0.408 230 I N 0.235 120.755 120.570 -0.084 0.000 2.752 230 I HA 0.655 4.826 4.170 0.002 0.000 0.295 230 I C -1.240 174.960 176.117 0.139 0.000 1.219 230 I CA -0.139 61.257 61.300 0.159 0.000 1.030 230 I CB 2.466 40.534 38.000 0.113 0.000 1.259 230 I HN 0.625 nan 8.210 nan 0.000 0.423 231 T N 5.952 120.634 114.554 0.212 0.000 2.812 231 T HA 0.502 4.853 4.350 0.002 0.000 0.282 231 T C -0.930 173.595 174.700 -0.292 0.000 0.990 231 T CA -0.392 61.692 62.100 -0.027 0.000 0.960 231 T CB 1.733 70.581 68.868 -0.033 0.000 0.948 231 T HN 0.262 nan 8.240 nan 0.000 0.438 232 V N 4.725 124.373 119.914 -0.443 0.000 2.334 232 V HA 0.501 4.622 4.120 0.002 0.000 0.281 232 V C -0.531 175.239 176.094 -0.540 0.000 1.016 232 V CA -0.841 61.206 62.300 -0.422 0.000 0.832 232 V CB 0.195 31.742 31.823 -0.461 0.000 0.999 232 V HN 0.726 nan 8.190 nan 0.000 0.439 233 F N 4.857 124.722 119.950 -0.140 0.000 2.362 233 F HA 0.518 5.046 4.527 0.002 0.000 0.311 233 F C -1.776 173.916 175.800 -0.179 0.000 1.161 233 F CA -2.417 55.422 58.000 -0.267 0.000 1.085 233 F CB 0.163 39.005 39.000 -0.265 0.000 1.311 233 F HN 0.288 nan 8.300 nan 0.000 0.524 234 P HA -0.051 nan 4.420 nan 0.000 0.264 234 P C -0.981 176.329 177.300 0.016 0.000 1.179 234 P CA 0.045 63.044 63.100 -0.168 0.000 0.763 234 P CB 0.184 31.593 31.700 -0.485 0.000 0.806 235 Q N 3.381 123.150 119.800 -0.052 0.000 2.443 235 Q HA 0.187 4.528 4.340 0.002 0.000 0.232 235 Q C -0.218 175.672 176.000 -0.182 0.000 1.026 235 Q CA -0.415 55.128 55.803 -0.433 0.000 0.924 235 Q CB 0.594 28.842 28.738 -0.816 0.000 1.256 235 Q HN 0.339 nan 8.270 nan 0.000 0.519 236 R N 0.014 120.382 120.500 -0.220 0.000 2.643 236 R HA 0.418 4.759 4.340 0.002 0.000 0.270 236 R C -0.665 175.585 176.300 -0.084 0.000 1.061 236 R CA 0.299 56.352 56.100 -0.078 0.000 1.107 236 R CB 0.554 30.800 30.300 -0.089 0.000 0.999 236 R HN 0.719 nan 8.270 nan 0.000 0.460 237 A N 3.864 126.675 122.820 -0.015 0.000 2.374 237 A HA 0.498 4.819 4.320 0.002 0.000 0.305 237 A C -2.488 175.095 177.584 -0.002 0.000 1.053 237 A CA -2.068 49.964 52.037 -0.009 0.000 0.726 237 A CB 1.423 20.446 19.000 0.038 0.000 1.229 237 A HN 0.398 nan 8.150 nan 0.000 0.431 238 P HA 0.202 nan 4.420 nan 0.000 0.264 238 P C 1.124 178.429 177.300 0.008 0.000 1.183 238 P CA 2.192 65.291 63.100 -0.001 0.000 0.763 238 P CB 0.567 32.269 31.700 0.002 0.000 0.807 239 G N 1.766 110.570 108.800 0.006 0.000 2.187 239 G HA2 -0.297 3.665 3.960 0.002 0.000 0.261 239 G HA3 -0.297 3.665 3.960 0.002 0.000 0.261 239 G C 0.240 175.146 174.900 0.010 0.000 1.000 239 G CA 0.047 45.152 45.100 0.008 0.000 0.718 239 G HN 0.730 nan 8.290 nan 0.000 0.519 240 R N -0.019 120.487 120.500 0.010 0.000 2.686 240 R HA 0.568 4.909 4.340 0.002 0.000 0.283 240 R C 0.796 177.097 176.300 0.002 0.000 0.978 240 R CA -0.108 55.997 56.100 0.008 0.000 0.897 240 R CB 1.047 31.360 30.300 0.021 0.000 1.192 240 R HN 0.390 nan 8.270 nan 0.000 0.457 241 G N 1.931 110.722 108.800 -0.015 0.000 2.554 241 G HA2 0.014 3.975 3.960 0.002 0.000 0.238 241 G HA3 0.014 3.975 3.960 0.002 0.000 0.238 241 G C -0.500 174.384 174.900 -0.027 0.000 1.259 241 G CA -0.270 44.818 45.100 -0.020 0.000 0.843 241 G HN 0.585 nan 8.290 nan 0.000 0.582 242 D N -0.297 120.108 120.400 0.008 0.000 2.283 242 D HA 0.318 4.959 4.640 0.002 0.000 0.248 242 D C -0.153 176.176 176.300 0.047 0.000 1.072 242 D CA 0.026 54.066 54.000 0.067 0.000 0.929 242 D CB 1.009 41.860 40.800 0.084 0.000 1.182 242 D HN 0.113 nan 8.370 nan 0.000 0.433 243 F N 1.500 121.480 119.950 0.049 0.000 2.427 243 F HA 0.302 4.830 4.527 0.002 0.000 0.352 243 F C 1.059 176.891 175.800 0.053 0.000 1.100 243 F CA 0.051 58.068 58.000 0.028 0.000 1.191 243 F CB 0.629 39.637 39.000 0.012 0.000 1.128 243 F HN -0.185 nan 8.300 nan 0.000 0.533 244 R N 3.728 124.356 120.500 0.213 0.000 2.698 244 R HA 0.531 4.872 4.340 0.002 0.000 0.275 244 R C -1.266 175.184 176.300 0.250 0.000 1.001 244 R CA -0.888 55.354 56.100 0.236 0.000 0.896 244 R CB 2.280 32.752 30.300 0.287 0.000 1.218 244 R HN 0.615 nan 8.270 nan 0.000 0.462 245 I N 1.794 122.500 120.570 0.226 0.000 2.330 245 I HA 0.170 4.341 4.170 0.002 0.000 0.289 245 I C 0.479 176.803 176.117 0.346 0.000 1.001 245 I CA -0.438 60.987 61.300 0.208 0.000 1.193 245 I CB 1.259 39.320 38.000 0.103 0.000 1.345 245 I HN 0.521 nan 8.210 nan 0.000 0.461 246 W N 3.586 124.930 121.300 0.073 0.000 2.388 246 W HA -0.074 4.587 4.660 0.002 0.000 0.294 246 W C 0.992 177.614 176.519 0.172 0.000 1.212 246 W CA 0.205 57.658 57.345 0.179 0.000 1.271 246 W CB -0.742 28.788 29.460 0.116 0.000 1.126 246 W HN 0.401 nan 8.180 nan 0.000 0.535 247 N N 0.007 118.865 118.700 0.263 0.000 2.479 247 N HA 0.009 4.750 4.740 0.002 0.000 0.257 247 N C 1.295 176.865 175.510 0.100 0.000 1.232 247 N CA 0.859 53.986 53.050 0.129 0.000 0.920 247 N CB 0.720 39.223 38.487 0.026 0.000 1.105 247 N HN -0.090 nan 8.380 nan 0.000 0.444 248 S N 0.433 116.182 115.700 0.083 0.000 2.461 248 S HA -0.001 4.470 4.470 0.002 0.000 0.228 248 S C 0.341 174.939 174.600 -0.003 0.000 1.005 248 S CA 0.569 58.805 58.200 0.061 0.000 0.942 248 S CB 0.102 63.358 63.200 0.093 0.000 0.776 248 S HN 0.629 nan 8.310 nan 0.000 0.514 249 Q N -0.644 119.139 119.800 -0.030 0.000 2.421 249 Q HA 0.486 4.827 4.340 0.002 0.000 0.280 249 Q C 0.116 176.028 176.000 -0.146 0.000 1.085 249 Q CA -0.551 55.196 55.803 -0.093 0.000 0.807 249 Q CB 1.992 30.709 28.738 -0.035 0.000 1.405 249 Q HN 0.139 nan 8.270 nan 0.000 0.419 250 L N 0.213 121.320 121.223 -0.194 0.000 2.201 250 L HA 0.018 4.359 4.340 0.002 0.000 0.212 250 L C 0.355 177.063 176.870 -0.270 0.000 1.105 250 L CA 0.800 55.521 54.840 -0.198 0.000 0.775 250 L CB 0.160 42.093 42.059 -0.210 0.000 0.913 250 L HN 0.243 nan 8.230 nan 0.000 0.440 251 V N 0.896 120.549 119.914 -0.436 0.000 2.407 251 V HA 0.459 4.580 4.120 0.002 0.000 0.291 251 V C -0.311 175.298 176.094 -0.808 0.000 1.018 251 V CA -0.687 61.180 62.300 -0.721 0.000 0.842 251 V CB 1.710 32.836 31.823 -1.162 0.000 0.996 251 V HN 0.137 nan 8.190 nan 0.000 0.426 252 R N 3.048 123.222 120.500 -0.543 0.000 2.621 252 R HA 0.494 4.835 4.340 0.002 0.000 0.284 252 R C -1.703 174.437 176.300 -0.266 0.000 0.998 252 R CA -0.755 55.146 56.100 -0.332 0.000 0.895 252 R CB 2.439 32.651 30.300 -0.146 0.000 1.195 252 R HN 0.568 nan 8.270 nan 0.000 0.450 253 Y N 0.650 120.932 120.300 -0.029 0.000 2.304 253 Y HA 0.363 4.914 4.550 0.002 0.000 0.328 253 Y C 1.047 176.893 175.900 -0.090 0.000 1.123 253 Y CA -0.599 57.488 58.100 -0.023 0.000 1.218 253 Y CB 1.015 39.514 38.460 0.066 0.000 1.207 253 Y HN 0.657 nan 8.280 nan 0.000 0.495 254 A N 1.945 124.769 122.820 0.007 0.000 2.466 254 A HA 0.503 4.824 4.320 0.002 0.000 0.238 254 A C 0.677 177.987 177.584 -0.457 0.000 1.074 254 A CA 0.337 52.209 52.037 -0.275 0.000 0.774 254 A CB -0.254 18.518 19.000 -0.380 0.000 1.015 254 A HN 0.961 nan 8.150 nan 0.000 0.498 255 G N 0.870 109.409 108.800 -0.436 0.000 2.814 255 G HA2 0.535 4.496 3.960 0.002 0.000 0.300 255 G HA3 0.535 4.496 3.960 0.002 0.000 0.300 255 G C -0.927 173.829 174.900 -0.241 0.000 1.406 255 G CA -0.289 44.618 45.100 -0.320 0.000 1.041 255 G HN 0.575 nan 8.290 nan 0.000 0.532 256 Y N 2.071 122.387 120.300 0.027 0.000 2.367 256 Y HA 0.374 4.925 4.550 0.002 0.000 0.342 256 Y C 1.171 177.075 175.900 0.007 0.000 0.979 256 Y CA -1.102 57.016 58.100 0.031 0.000 1.161 256 Y CB 1.255 39.733 38.460 0.030 0.000 1.155 256 Y HN 0.179 nan 8.280 nan 0.000 0.503 257 R N 4.370 124.965 120.500 0.159 0.000 2.343 257 R HA 0.094 4.435 4.340 0.002 0.000 0.326 257 R C -0.303 176.043 176.300 0.076 0.000 1.055 257 R CA 0.150 56.303 56.100 0.087 0.000 0.961 257 R CB 0.393 30.733 30.300 0.066 0.000 0.978 257 R HN 0.818 nan 8.270 nan 0.000 0.443 258 Q N 1.706 121.540 119.800 0.057 0.000 2.699 258 Q HA 0.146 4.487 4.340 0.002 0.000 0.240 258 Q C 0.698 176.710 176.000 0.021 0.000 1.033 258 Q CA -0.907 54.917 55.803 0.035 0.000 0.938 258 Q CB 0.952 29.711 28.738 0.034 0.000 1.312 258 Q HN 0.415 nan 8.270 nan 0.000 0.507 259 Q N 1.063 120.869 119.800 0.011 0.000 2.655 259 Q HA -0.293 4.048 4.340 0.002 0.000 0.509 259 Q C 0.204 176.209 176.000 0.009 0.000 0.546 259 Q CA 2.245 58.052 55.803 0.007 0.000 1.001 259 Q CB -0.645 28.096 28.738 0.005 0.000 1.609 259 Q HN 0.767 nan 8.270 nan 0.000 1.075 260 D N 0.193 120.598 120.400 0.009 0.000 3.032 260 D HA 0.167 4.808 4.640 0.002 0.000 0.241 260 D C 0.877 177.184 176.300 0.012 0.000 1.196 260 D CA 0.666 54.672 54.000 0.009 0.000 0.927 260 D CB -0.325 40.480 40.800 0.007 0.000 1.129 260 D HN 0.774 nan 8.370 nan 0.000 0.458 261 G N 0.844 109.653 108.800 0.015 0.000 2.257 261 G HA2 -0.386 3.575 3.960 0.002 0.000 0.267 261 G HA3 -0.386 3.575 3.960 0.002 0.000 0.267 261 G C 0.657 175.567 174.900 0.018 0.000 0.984 261 G CA 0.744 45.855 45.100 0.018 0.000 0.626 261 G HN 0.854 nan 8.290 nan 0.000 0.540 262 S N -1.109 114.600 115.700 0.015 0.000 2.611 262 S HA 0.526 4.997 4.470 0.002 0.000 0.252 262 S C 0.137 174.743 174.600 0.010 0.000 1.369 262 S CA 0.331 58.537 58.200 0.010 0.000 0.975 262 S CB 1.896 65.101 63.200 0.008 0.000 0.937 262 S HN 1.234 nan 8.310 nan 0.000 0.584 263 V N 0.971 120.881 119.914 -0.007 0.000 2.686 263 V HA 0.510 4.631 4.120 0.002 0.000 0.306 263 V C -0.109 175.957 176.094 -0.047 0.000 1.065 263 V CA -0.771 61.518 62.300 -0.018 0.000 0.894 263 V CB 1.764 33.559 31.823 -0.047 0.000 1.004 263 V HN 0.940 nan 8.190 nan 0.000 0.424 264 R N 2.713 123.212 120.500 -0.002 0.000 2.265 264 R HA 0.690 5.031 4.340 0.002 0.000 0.319 264 R C 0.676 176.913 176.300 -0.105 0.000 1.006 264 R CA 0.927 57.023 56.100 -0.007 0.000 0.880 264 R CB 1.136 31.507 30.300 0.119 0.000 1.077 264 R HN 1.182 nan 8.270 nan 0.000 0.454 265 G N 3.080 111.721 108.800 -0.265 0.000 2.715 265 G HA2 -0.241 3.720 3.960 0.002 0.000 0.221 265 G HA3 -0.241 3.720 3.960 0.002 0.000 0.221 265 G C -1.277 173.201 174.900 -0.703 0.000 1.204 265 G CA 0.005 44.863 45.100 -0.404 0.000 1.063 265 G HN 0.610 nan 8.290 nan 0.000 0.586 266 D N 1.769 121.931 120.400 -0.397 0.000 2.460 266 D HA 0.613 5.254 4.640 0.002 0.000 0.232 266 D C -1.262 174.947 176.300 -0.152 0.000 1.079 266 D CA -1.973 51.849 54.000 -0.297 0.000 0.864 266 D CB 1.660 42.573 40.800 0.188 0.000 1.048 266 D HN -0.025 nan 8.370 nan 0.000 0.523 267 P HA -0.151 nan 4.420 nan 0.000 0.218 267 P C 0.969 178.274 177.300 0.008 0.000 1.146 267 P CA 1.132 64.194 63.100 -0.064 0.000 0.820 267 P CB 0.318 31.988 31.700 -0.049 0.000 0.778 268 A N -0.650 122.191 122.820 0.036 0.000 2.067 268 A HA -0.129 4.192 4.320 0.002 0.000 0.219 268 A C 1.621 179.253 177.584 0.081 0.000 1.158 268 A CA 1.361 53.449 52.037 0.085 0.000 0.661 268 A CB -0.841 18.230 19.000 0.117 0.000 0.801 268 A HN 0.172 nan 8.150 nan 0.000 0.452 269 N N -0.187 118.545 118.700 0.052 0.000 2.273 269 N HA 0.147 4.888 4.740 0.002 0.000 0.231 269 N C 1.094 176.600 175.510 -0.006 0.000 1.134 269 N CA 0.178 53.246 53.050 0.030 0.000 0.856 269 N CB 0.637 39.135 38.487 0.019 0.000 1.068 269 N HN 0.209 nan 8.380 nan 0.000 0.510 270 V N 1.073 120.989 119.914 0.004 0.000 2.255 270 V HA -0.257 3.864 4.120 0.002 0.000 0.247 270 V C 2.460 178.562 176.094 0.012 0.000 1.051 270 V CA 1.848 64.151 62.300 0.005 0.000 1.018 270 V CB -0.315 31.522 31.823 0.022 0.000 0.641 270 V HN 0.384 nan 8.190 nan 0.000 0.445 271 E N -0.313 119.900 120.200 0.021 0.000 2.038 271 E HA -0.273 4.078 4.350 0.002 0.000 0.195 271 E C 2.140 178.671 176.600 -0.115 0.000 1.000 271 E CA 1.864 58.256 56.400 -0.014 0.000 0.803 271 E CB -0.208 29.531 29.700 0.065 0.000 0.750 271 E HN 0.480 nan 8.360 nan 0.000 0.448 272 I N 0.746 121.255 120.570 -0.101 0.000 2.454 272 I HA -0.195 3.976 4.170 0.002 0.000 0.254 272 I C 2.046 178.104 176.117 -0.098 0.000 1.156 272 I CA 1.492 62.701 61.300 -0.152 0.000 1.433 272 I CB -0.313 37.652 38.000 -0.058 0.000 1.082 272 I HN 0.081 nan 8.210 nan 0.000 0.432 273 T N 0.334 114.858 114.554 -0.050 0.000 2.821 273 T HA -0.135 4.216 4.350 0.002 0.000 0.267 273 T C 1.718 176.488 174.700 0.116 0.000 1.046 273 T CA 1.656 63.764 62.100 0.013 0.000 1.139 273 T CB -0.173 68.703 68.868 0.013 0.000 0.871 273 T HN 0.484 nan 8.240 nan 0.000 0.454 274 E N 0.676 120.915 120.200 0.066 0.000 2.072 274 E HA 0.008 4.359 4.350 0.002 0.000 0.190 274 E C 2.215 178.854 176.600 0.065 0.000 0.982 274 E CA 0.682 57.131 56.400 0.081 0.000 0.803 274 E CB -0.210 29.515 29.700 0.041 0.000 0.755 274 E HN 0.394 nan 8.360 nan 0.000 0.453 275 L N 0.497 121.715 121.223 -0.009 0.000 2.046 275 L HA -0.230 4.111 4.340 0.002 0.000 0.208 275 L C 2.600 179.557 176.870 0.146 0.000 1.077 275 L CA 0.795 55.658 54.840 0.039 0.000 0.747 275 L CB -0.400 41.596 42.059 -0.105 0.000 0.896 275 L HN 0.313 nan 8.230 nan 0.000 0.432 276 C N -0.021 119.320 119.300 0.068 0.000 2.413 276 C HA -0.178 4.283 4.460 0.002 0.000 0.276 276 C C 2.716 177.872 174.990 0.278 0.000 1.236 276 C CA 0.583 59.653 59.018 0.087 0.000 1.735 276 C CB -0.665 27.019 27.740 -0.092 0.000 2.031 276 C HN 0.427 nan 8.230 nan 0.000 0.474 277 I N 0.731 121.505 120.570 0.340 0.000 2.208 277 I HA -0.292 3.879 4.170 0.002 0.000 0.245 277 I C 2.792 178.994 176.117 0.142 0.000 1.097 277 I CA 1.867 63.340 61.300 0.287 0.000 1.363 277 I CB -0.727 37.407 38.000 0.224 0.000 1.051 277 I HN 0.527 nan 8.210 nan 0.000 0.413 278 Q N 0.751 120.616 119.800 0.109 0.000 2.226 278 Q HA -0.231 4.110 4.340 0.002 0.000 0.204 278 Q C 0.961 176.899 176.000 -0.102 0.000 0.975 278 Q CA 1.621 57.422 55.803 -0.002 0.000 0.866 278 Q CB -0.061 28.668 28.738 -0.016 0.000 0.915 278 Q HN 0.578 nan 8.270 nan 0.000 0.440 279 H N -1.200 117.865 119.070 -0.009 0.000 2.605 279 H HA 0.304 4.861 4.556 0.002 0.000 0.308 279 H C 0.556 175.867 175.328 -0.028 0.000 1.080 279 H CA 0.606 56.623 56.048 -0.052 0.000 1.119 279 H CB 0.614 30.303 29.762 -0.121 0.000 1.479 279 H HN 0.521 nan 8.280 nan 0.000 0.537 280 G N -0.310 108.530 108.800 0.065 0.000 2.175 280 G HA2 -0.286 3.675 3.960 0.002 0.000 0.244 280 G HA3 -0.286 3.675 3.960 0.002 0.000 0.244 280 G C 0.144 175.107 174.900 0.105 0.000 0.982 280 G CA -0.040 45.087 45.100 0.046 0.000 0.641 280 G HN 0.447 nan 8.290 nan 0.000 0.527 281 W N 2.463 123.747 121.300 -0.027 0.000 2.216 281 W HA 0.607 5.268 4.660 0.002 0.000 0.326 281 W C 0.309 176.822 176.519 -0.010 0.000 1.319 281 W CA 0.444 57.777 57.345 -0.020 0.000 1.213 281 W CB 0.736 30.195 29.460 -0.001 0.000 1.171 281 W HN 0.031 nan 8.180 nan 0.000 0.557 282 T N 9.798 123.952 114.554 -0.667 0.000 2.863 282 T HA 0.150 4.501 4.350 0.002 0.000 0.299 282 T C -1.975 171.938 174.700 -1.310 0.000 0.973 282 T CA -0.878 60.802 62.100 -0.699 0.000 0.994 282 T CB -0.009 68.617 68.868 -0.404 0.000 0.961 282 T HN 0.254 nan 8.240 nan 0.000 0.552 283 P HA 0.165 nan 4.420 nan 0.000 0.269 283 P C 0.482 177.339 177.300 -0.738 0.000 1.211 283 P CA -0.081 62.256 63.100 -1.271 0.000 0.781 283 P CB 0.800 32.169 31.700 -0.551 0.000 0.877 284 G N 0.766 109.308 108.800 -0.431 0.000 2.890 284 G HA2 0.342 4.303 3.960 0.002 0.000 0.189 284 G HA3 0.342 4.303 3.960 0.002 0.000 0.189 284 G C 0.204 174.839 174.900 -0.443 0.000 1.342 284 G CA -0.472 44.503 45.100 -0.208 0.000 1.026 284 G HN 0.717 nan 8.290 nan 0.000 0.579 285 N N -0.699 117.909 118.700 -0.153 0.000 2.361 285 N HA 0.177 4.918 4.740 0.002 0.000 0.253 285 N C 0.268 175.846 175.510 0.113 0.000 1.413 285 N CA 0.105 53.053 53.050 -0.170 0.000 0.821 285 N CB 0.403 38.788 38.487 -0.170 0.000 1.380 285 N HN 0.695 nan 8.380 nan 0.000 0.493 286 G N 0.397 109.363 108.800 0.276 0.000 2.552 286 G HA2 0.416 4.377 3.960 0.002 0.000 0.318 286 G HA3 0.416 4.377 3.960 0.002 0.000 0.318 286 G C 0.484 175.485 174.900 0.168 0.000 1.240 286 G CA -0.662 44.564 45.100 0.210 0.000 1.002 286 G HN 0.104 nan 8.290 nan 0.000 0.493 287 R N -1.263 119.255 120.500 0.031 0.000 2.246 287 R HA 0.141 4.482 4.340 0.002 0.000 0.199 287 R C -0.117 175.780 176.300 -0.672 0.000 0.984 287 R CA 0.629 56.559 56.100 -0.283 0.000 1.015 287 R CB 0.174 30.265 30.300 -0.349 0.000 0.930 287 R HN 0.393 nan 8.270 nan 0.000 0.475 288 F N 0.867 120.759 119.950 -0.097 0.000 2.679 288 F HA 0.259 4.787 4.527 0.002 0.000 0.354 288 F C -0.664 175.053 175.800 -0.138 0.000 1.423 288 F CA -1.069 56.616 58.000 -0.523 0.000 1.141 288 F CB 0.615 39.151 39.000 -0.774 0.000 1.168 288 F HN -0.287 nan 8.300 nan 0.000 0.530 289 D N 1.636 122.166 120.400 0.217 0.000 2.316 289 D HA 0.170 4.811 4.640 0.002 0.000 0.245 289 D C 0.180 176.713 176.300 0.389 0.000 1.171 289 D CA 0.113 54.320 54.000 0.345 0.000 0.856 289 D CB 2.297 43.368 40.800 0.451 0.000 1.090 289 D HN -0.058 nan 8.370 nan 0.000 0.476 290 V N 4.221 124.348 119.914 0.354 0.000 2.485 290 V HA -0.018 4.103 4.120 0.002 0.000 0.287 290 V C 1.041 177.143 176.094 0.013 0.000 1.022 290 V CA -0.156 62.246 62.300 0.170 0.000 1.067 290 V CB 0.074 31.956 31.823 0.098 0.000 0.967 290 V HN 0.342 nan 8.190 nan 0.000 0.479 291 L N 8.583 129.711 121.223 -0.158 0.000 2.464 291 L HA 0.321 4.662 4.340 0.002 0.000 0.264 291 L C -1.597 175.024 176.870 -0.415 0.000 1.199 291 L CA -1.238 53.340 54.840 -0.437 0.000 0.818 291 L CB 0.693 42.515 42.059 -0.394 0.000 1.102 291 L HN 0.481 nan 8.230 nan 0.000 0.473 292 P HA 0.274 nan 4.420 nan 0.000 0.280 292 P C -1.217 175.936 177.300 -0.245 0.000 1.272 292 P CA -0.563 62.307 63.100 -0.383 0.000 0.819 292 P CB 1.115 32.496 31.700 -0.532 0.000 1.122 293 L N 0.700 121.870 121.223 -0.088 0.000 2.325 293 L HA 0.415 4.756 4.340 0.002 0.000 0.279 293 L C 0.417 177.279 176.870 -0.012 0.000 1.054 293 L CA -0.804 54.026 54.840 -0.016 0.000 0.804 293 L CB 0.845 42.958 42.059 0.091 0.000 1.200 293 L HN 0.211 nan 8.230 nan 0.000 0.436 294 L N 5.090 126.283 121.223 -0.051 0.000 2.335 294 L HA 0.424 4.765 4.340 0.002 0.000 0.268 294 L C -0.573 176.206 176.870 -0.151 0.000 1.037 294 L CA -0.239 54.486 54.840 -0.193 0.000 0.895 294 L CB 0.716 42.570 42.059 -0.342 0.000 1.266 294 L HN 0.441 nan 8.230 nan 0.000 0.439 295 L N 3.372 124.572 121.223 -0.039 0.000 2.312 295 L HA 0.464 4.805 4.340 0.002 0.000 0.281 295 L C -0.085 176.724 176.870 -0.103 0.000 1.070 295 L CA -0.242 54.575 54.840 -0.038 0.000 0.805 295 L CB 1.459 43.488 42.059 -0.049 0.000 1.174 295 L HN 0.551 nan 8.230 nan 0.000 0.434 296 Q N 2.593 122.342 119.800 -0.085 0.000 2.321 296 Q HA 0.671 5.012 4.340 0.002 0.000 0.270 296 Q C -1.246 174.689 176.000 -0.109 0.000 1.032 296 Q CA -0.625 55.116 55.803 -0.103 0.000 0.784 296 Q CB 2.222 30.930 28.738 -0.050 0.000 1.264 296 Q HN 0.781 nan 8.270 nan 0.000 0.448 297 A N 4.954 127.664 122.820 -0.185 0.000 2.293 297 A HA 0.652 4.973 4.320 0.002 0.000 0.302 297 A C -2.414 174.912 177.584 -0.429 0.000 1.119 297 A CA -1.659 50.117 52.037 -0.435 0.000 0.823 297 A CB 0.191 19.039 19.000 -0.253 0.000 1.097 297 A HN 0.646 nan 8.150 nan 0.000 0.491 298 P HA -0.074 nan 4.420 nan 0.000 0.261 298 P C -0.504 176.694 177.300 -0.169 0.000 1.158 298 P CA 0.964 63.853 63.100 -0.352 0.000 0.758 298 P CB 0.108 31.595 31.700 -0.355 0.000 0.763 299 D N -0.107 120.243 120.400 -0.084 0.000 2.782 299 D HA -0.208 4.433 4.640 0.002 0.000 0.231 299 D C -0.039 176.243 176.300 -0.029 0.000 1.163 299 D CA 1.305 55.285 54.000 -0.032 0.000 0.680 299 D CB -0.475 40.310 40.800 -0.025 0.000 1.062 299 D HN 0.463 nan 8.370 nan 0.000 0.425 300 E N -0.652 119.521 120.200 -0.044 0.000 2.266 300 E HA 0.616 4.967 4.350 0.002 0.000 0.268 300 E C -0.080 176.497 176.600 -0.039 0.000 0.879 300 E CA -0.782 55.593 56.400 -0.042 0.000 0.762 300 E CB 1.805 31.465 29.700 -0.066 0.000 1.199 300 E HN 0.150 nan 8.360 nan 0.000 0.422 301 A N 4.111 126.912 122.820 -0.030 0.000 2.531 301 A HA 0.271 4.592 4.320 0.002 0.000 0.236 301 A C -1.881 175.598 177.584 -0.174 0.000 1.062 301 A CA -0.691 51.317 52.037 -0.047 0.000 0.760 301 A CB -0.594 18.410 19.000 0.006 0.000 0.995 301 A HN 0.295 nan 8.150 nan 0.000 0.501 302 P HA 0.112 nan 4.420 nan 0.000 0.268 302 P C -0.543 176.503 177.300 -0.423 0.000 1.208 302 P CA 0.240 62.977 63.100 -0.605 0.000 0.777 302 P CB 0.635 31.502 31.700 -1.388 0.000 0.875 303 E N 0.496 120.526 120.200 -0.284 0.000 2.195 303 E HA 0.410 4.761 4.350 0.002 0.000 0.271 303 E C -0.820 175.562 176.600 -0.364 0.000 0.923 303 E CA -1.101 55.130 56.400 -0.282 0.000 0.790 303 E CB 1.505 31.099 29.700 -0.176 0.000 1.155 303 E HN 0.260 nan 8.360 nan 0.000 0.402 304 L N 3.253 124.162 121.223 -0.523 0.000 2.276 304 L HA 0.393 4.735 4.340 0.002 0.000 0.286 304 L C -1.557 174.873 176.870 -0.734 0.000 1.061 304 L CA 0.172 54.752 54.840 -0.434 0.000 0.807 304 L CB -0.003 41.905 42.059 -0.251 0.000 1.177 304 L HN 0.396 nan 8.230 nan 0.000 0.429 305 F N 4.240 123.999 119.950 -0.318 0.000 2.539 305 F HA 0.456 4.984 4.527 0.002 0.000 0.318 305 F C -0.155 175.440 175.800 -0.340 0.000 1.135 305 F CA -0.904 56.778 58.000 -0.530 0.000 0.915 305 F CB 1.765 40.142 39.000 -1.039 0.000 1.176 305 F HN 0.014 nan 8.300 nan 0.000 0.440 306 V N 4.793 124.650 119.914 -0.096 0.000 2.498 306 V HA 0.233 4.354 4.120 0.002 0.000 0.279 306 V C 0.213 176.415 176.094 0.180 0.000 1.048 306 V CA -0.625 61.699 62.300 0.041 0.000 0.967 306 V CB 1.320 33.190 31.823 0.078 0.000 0.988 306 V HN 0.540 nan 8.190 nan 0.000 0.473 307 L N 7.505 128.844 121.223 0.194 0.000 2.360 307 L HA 0.301 4.642 4.340 0.002 0.000 0.276 307 L C -2.097 174.872 176.870 0.166 0.000 1.121 307 L CA -1.553 53.428 54.840 0.235 0.000 0.845 307 L CB 0.884 43.013 42.059 0.117 0.000 1.143 307 L HN 0.456 nan 8.230 nan 0.000 0.452 308 P HA 0.043 nan 4.420 nan 0.000 0.261 308 P C -1.997 175.350 177.300 0.078 0.000 1.203 308 P CA -0.857 62.312 63.100 0.114 0.000 0.767 308 P CB 0.369 32.127 31.700 0.096 0.000 0.785 309 P HA -0.265 nan 4.420 nan 0.000 0.218 309 P C 1.401 178.731 177.300 0.050 0.000 1.152 309 P CA 1.446 64.586 63.100 0.067 0.000 0.857 309 P CB -0.156 31.587 31.700 0.070 0.000 0.787 310 E N -0.745 119.480 120.200 0.043 0.000 2.338 310 E HA -0.135 4.216 4.350 0.002 0.000 0.197 310 E C 1.579 178.194 176.600 0.025 0.000 1.007 310 E CA 1.033 57.452 56.400 0.031 0.000 0.849 310 E CB -0.965 28.751 29.700 0.026 0.000 0.774 310 E HN 0.233 nan 8.360 nan 0.000 0.506 311 L N 0.843 122.081 121.223 0.026 0.000 2.249 311 L HA 0.051 4.392 4.340 0.002 0.000 0.207 311 L C 0.944 177.826 176.870 0.019 0.000 1.090 311 L CA 0.571 55.420 54.840 0.016 0.000 0.802 311 L CB 0.279 42.338 42.059 0.000 0.000 0.947 311 L HN -0.112 nan 8.230 nan 0.000 0.453 312 V N 2.011 121.939 119.914 0.023 0.000 2.313 312 V HA 0.126 4.247 4.120 0.002 0.000 0.252 312 V C 0.096 176.218 176.094 0.046 0.000 1.112 312 V CA -0.723 61.590 62.300 0.021 0.000 0.984 312 V CB 0.391 32.216 31.823 0.003 0.000 1.157 312 V HN 0.034 nan 8.190 nan 0.000 0.493 313 L N 5.459 126.716 121.223 0.056 0.000 2.410 313 L HA 0.383 4.724 4.340 0.002 0.000 0.273 313 L C 0.208 177.124 176.870 0.077 0.000 1.152 313 L CA 0.782 55.653 54.840 0.052 0.000 0.855 313 L CB 0.272 42.358 42.059 0.045 0.000 1.129 313 L HN 0.642 nan 8.230 nan 0.000 0.463 314 E N 3.307 123.530 120.200 0.037 0.000 2.336 314 E HA 0.602 4.953 4.350 0.002 0.000 0.267 314 E C -1.497 175.057 176.600 -0.078 0.000 0.906 314 E CA -1.055 55.368 56.400 0.039 0.000 0.781 314 E CB 2.438 32.185 29.700 0.079 0.000 1.261 314 E HN 0.377 nan 8.360 nan 0.000 0.436 315 V N 2.948 122.784 119.914 -0.130 0.000 2.407 315 V HA 0.313 4.434 4.120 0.002 0.000 0.291 315 V C -2.299 173.716 176.094 -0.131 0.000 1.018 315 V CA -1.826 60.321 62.300 -0.254 0.000 0.842 315 V CB 1.431 32.837 31.823 -0.695 0.000 0.996 315 V HN 0.540 nan 8.190 nan 0.000 0.426 316 P HA 0.268 nan 4.420 nan 0.000 0.276 316 P C -0.799 176.492 177.300 -0.014 0.000 1.235 316 P CA -0.129 62.931 63.100 -0.067 0.000 0.772 316 P CB 1.123 32.792 31.700 -0.052 0.000 0.871 317 L N 3.794 125.044 121.223 0.045 0.000 2.276 317 L HA 0.417 4.759 4.340 0.002 0.000 0.286 317 L C 1.162 178.177 176.870 0.241 0.000 1.061 317 L CA -0.163 54.765 54.840 0.147 0.000 0.807 317 L CB 0.515 42.721 42.059 0.244 0.000 1.177 317 L HN 0.514 nan 8.230 nan 0.000 0.429 318 E N 2.096 122.405 120.200 0.181 0.000 2.446 318 E HA 0.407 4.758 4.350 0.002 0.000 0.276 318 E C -1.397 175.198 176.600 -0.009 0.000 0.969 318 E CA -0.952 55.567 56.400 0.199 0.000 0.800 318 E CB 2.261 32.057 29.700 0.161 0.000 1.341 318 E HN 0.478 nan 8.360 nan 0.000 0.460 319 H N 1.354 120.277 119.070 -0.244 0.000 2.457 319 H HA 0.238 4.796 4.556 0.002 0.000 0.335 319 H C -1.769 173.224 175.328 -0.559 0.000 1.115 319 H CA -2.247 53.501 56.048 -0.500 0.000 1.219 319 H CB 2.056 31.466 29.762 -0.587 0.000 1.471 319 H HN 0.420 nan 8.280 nan 0.000 0.491 320 P HA -0.151 nan 4.420 nan 0.000 0.217 320 P C 0.945 178.085 177.300 -0.266 0.000 1.148 320 P CA 1.994 64.581 63.100 -0.854 0.000 0.828 320 P CB 0.453 31.689 31.700 -0.774 0.000 0.783 321 T N -4.110 110.473 114.554 0.048 0.000 3.028 321 T HA 0.179 4.530 4.350 0.002 0.000 0.250 321 T C 1.027 175.698 174.700 -0.049 0.000 0.979 321 T CA -0.258 61.861 62.100 0.032 0.000 1.004 321 T CB -0.741 68.157 68.868 0.049 0.000 1.120 321 T HN -0.064 nan 8.240 nan 0.000 0.482 322 L N 3.743 124.847 121.223 -0.198 0.000 2.536 322 L HA 0.265 4.606 4.340 0.002 0.000 0.282 322 L C 1.626 178.150 176.870 -0.577 0.000 1.174 322 L CA -0.460 53.997 54.840 -0.639 0.000 0.989 322 L CB 0.292 41.545 42.059 -1.343 0.000 1.311 322 L HN 0.390 nan 8.230 nan 0.000 0.455 323 E N 3.135 123.166 120.200 -0.282 0.000 2.147 323 E HA -0.272 4.079 4.350 0.002 0.000 0.199 323 E C 1.742 178.296 176.600 -0.077 0.000 1.005 323 E CA 1.837 58.172 56.400 -0.108 0.000 0.810 323 E CB -0.365 29.350 29.700 0.025 0.000 0.736 323 E HN 0.765 nan 8.360 nan 0.000 0.460 324 W N 0.018 121.357 121.300 0.064 0.000 2.467 324 W HA 0.047 4.708 4.660 0.002 0.000 0.275 324 W C 1.596 178.156 176.519 0.068 0.000 1.239 324 W CA 0.138 57.512 57.345 0.048 0.000 1.266 324 W CB -1.214 28.253 29.460 0.012 0.000 1.112 324 W HN -0.004 nan 8.180 nan 0.000 0.576 325 F N 3.023 122.635 119.950 -0.564 0.000 2.063 325 F HA -0.291 4.237 4.527 0.002 0.000 0.298 325 F C 2.782 178.575 175.800 -0.013 0.000 1.105 325 F CA 3.457 61.264 58.000 -0.321 0.000 1.215 325 F CB -0.733 37.984 39.000 -0.473 0.000 0.972 325 F HN -0.056 nan 8.300 nan 0.000 0.483 326 A N 0.077 123.016 122.820 0.199 0.000 1.958 326 A HA -0.225 4.096 4.320 0.002 0.000 0.221 326 A C 2.363 179.995 177.584 0.081 0.000 1.178 326 A CA 2.024 54.155 52.037 0.156 0.000 0.642 326 A CB -1.613 17.455 19.000 0.113 0.000 0.816 326 A HN 0.563 nan 8.150 nan 0.000 0.453 327 A N -0.118 122.755 122.820 0.089 0.000 1.940 327 A HA -0.115 4.206 4.320 0.002 0.000 0.219 327 A C 2.030 179.641 177.584 0.044 0.000 1.176 327 A CA 1.537 53.623 52.037 0.081 0.000 0.631 327 A CB -0.695 18.381 19.000 0.126 0.000 0.814 327 A HN 0.539 nan 8.150 nan 0.000 0.446 328 L N -0.894 120.325 121.223 -0.007 0.000 2.351 328 L HA -0.119 4.222 4.340 0.002 0.000 0.220 328 L C 1.784 178.660 176.870 0.010 0.000 1.127 328 L CA 0.685 55.499 54.840 -0.045 0.000 0.786 328 L CB -0.961 40.955 42.059 -0.239 0.000 0.914 328 L HN 0.639 nan 8.230 nan 0.000 0.443 329 G N 0.565 109.371 108.800 0.009 0.000 2.249 329 G HA2 -0.289 3.672 3.960 0.002 0.000 0.273 329 G HA3 -0.289 3.672 3.960 0.002 0.000 0.273 329 G C 0.105 174.969 174.900 -0.059 0.000 1.036 329 G CA 0.017 45.123 45.100 0.009 0.000 0.824 329 G HN 0.271 nan 8.290 nan 0.000 0.504 330 L N -0.393 120.785 121.223 -0.074 0.000 2.399 330 L HA 0.829 5.170 4.340 0.002 0.000 0.266 330 L C 1.054 177.716 176.870 -0.347 0.000 1.114 330 L CA -0.762 53.959 54.840 -0.198 0.000 0.804 330 L CB 1.095 43.185 42.059 0.052 0.000 1.146 330 L HN 0.576 nan 8.230 nan 0.000 0.451 331 R N 1.307 121.407 120.500 -0.667 0.000 2.712 331 R HA 0.494 4.835 4.340 0.002 0.000 0.272 331 R C -2.235 174.025 176.300 -0.067 0.000 1.032 331 R CA -0.996 54.886 56.100 -0.365 0.000 0.874 331 R CB 1.784 31.802 30.300 -0.469 0.000 1.256 331 R HN 0.673 nan 8.270 nan 0.000 0.468 332 W N 2.037 123.317 121.300 -0.032 0.000 3.363 332 W HA 0.311 4.972 4.660 0.002 0.000 0.306 332 W C -1.226 175.393 176.519 0.167 0.000 1.253 332 W CA -0.965 56.454 57.345 0.124 0.000 1.195 332 W CB 1.802 31.233 29.460 -0.048 0.000 1.366 332 W HN 0.705 nan 8.180 nan 0.000 0.551 333 Y N 1.337 121.543 120.300 -0.157 0.000 2.357 333 Y HA 0.510 5.061 4.550 0.002 0.000 0.340 333 Y C 0.817 176.985 175.900 0.447 0.000 1.260 333 Y CA 0.322 58.453 58.100 0.050 0.000 1.425 333 Y CB 0.203 38.566 38.460 -0.163 0.000 1.326 333 Y HN 0.339 nan 8.280 nan 0.000 0.580 334 A N 2.041 125.172 122.820 0.518 0.000 2.072 334 A HA 0.111 4.432 4.320 0.002 0.000 0.216 334 A C 0.423 178.367 177.584 0.601 0.000 1.156 334 A CA 0.179 52.582 52.037 0.609 0.000 0.701 334 A CB -0.251 18.941 19.000 0.319 0.000 0.816 334 A HN 0.664 nan 8.150 nan 0.000 0.458 335 L N 2.004 123.542 121.223 0.525 0.000 2.262 335 L HA 0.414 4.755 4.340 0.002 0.000 0.288 335 L C -2.564 174.466 176.870 0.266 0.000 1.035 335 L CA -2.156 52.879 54.840 0.325 0.000 0.820 335 L CB 1.514 43.690 42.059 0.194 0.000 1.204 335 L HN -0.045 nan 8.230 nan 0.000 0.424 336 P HA 0.294 nan 4.420 nan 0.000 0.273 336 P C -1.307 175.893 177.300 -0.166 0.000 1.531 336 P CA -0.305 62.611 63.100 -0.306 0.000 1.027 336 P CB 1.147 32.222 31.700 -1.042 0.000 1.387 337 A N 4.705 127.448 122.820 -0.128 0.000 2.431 337 A HA 0.402 4.723 4.320 0.002 0.000 0.318 337 A C 0.060 177.431 177.584 -0.355 0.000 1.330 337 A CA -0.658 51.239 52.037 -0.234 0.000 0.804 337 A CB 0.530 19.406 19.000 -0.207 0.000 1.135 337 A HN 0.292 nan 8.150 nan 0.000 0.483 338 V N 2.661 122.206 119.914 -0.616 0.000 2.585 338 V HA 0.212 4.333 4.120 0.002 0.000 0.296 338 V C 1.246 176.952 176.094 -0.646 0.000 1.035 338 V CA 1.304 63.208 62.300 -0.661 0.000 1.084 338 V CB 1.096 32.347 31.823 -0.954 0.000 0.953 338 V HN 1.089 nan 8.190 nan 0.000 0.483 339 S N 1.311 116.828 115.700 -0.305 0.000 2.847 339 S HA 0.072 4.543 4.470 0.002 0.000 0.254 339 S C 0.696 175.279 174.600 -0.029 0.000 1.039 339 S CA 0.048 58.150 58.200 -0.163 0.000 1.113 339 S CB -0.460 62.678 63.200 -0.103 0.000 1.092 339 S HN 0.916 nan 8.310 nan 0.000 0.620 340 N N 0.401 119.092 118.700 -0.015 0.000 2.205 340 N HA 0.311 5.052 4.740 0.002 0.000 0.201 340 N C 0.230 175.800 175.510 0.100 0.000 1.128 340 N CA -0.521 52.562 53.050 0.055 0.000 0.867 340 N CB 0.117 38.639 38.487 0.059 0.000 0.996 340 N HN 0.268 nan 8.380 nan 0.000 0.503 341 M N 1.356 121.028 119.600 0.119 0.000 2.359 341 M HA 0.316 4.797 4.480 0.002 0.000 0.322 341 M C -0.590 175.853 176.300 0.239 0.000 1.166 341 M CA -0.826 54.593 55.300 0.200 0.000 1.067 341 M CB 2.293 35.047 32.600 0.256 0.000 1.523 341 M HN 0.131 nan 8.290 nan 0.000 0.467 342 L N 2.670 124.018 121.223 0.208 0.000 2.309 342 L HA 0.544 4.885 4.340 0.002 0.000 0.282 342 L C -1.395 175.581 176.870 0.178 0.000 1.036 342 L CA -0.905 54.042 54.840 0.179 0.000 0.806 342 L CB 1.199 43.316 42.059 0.096 0.000 1.220 342 L HN 0.583 nan 8.230 nan 0.000 0.429 343 L N 5.177 126.502 121.223 0.168 0.000 2.265 343 L HA 0.468 4.809 4.340 0.002 0.000 0.289 343 L C -0.565 176.329 176.870 0.041 0.000 1.033 343 L CA 0.204 55.031 54.840 -0.022 0.000 0.814 343 L CB 1.146 43.179 42.059 -0.044 0.000 1.203 343 L HN 0.637 nan 8.230 nan 0.000 0.423 344 E N 6.628 126.765 120.200 -0.105 0.000 2.145 344 E HA 0.417 4.768 4.350 0.002 0.000 0.270 344 E C -1.598 174.918 176.600 -0.140 0.000 0.906 344 E CA -0.440 55.915 56.400 -0.074 0.000 0.761 344 E CB 1.160 30.810 29.700 -0.084 0.000 1.116 344 E HN 0.716 nan 8.360 nan 0.000 0.408 345 I N 2.383 122.882 120.570 -0.120 0.000 2.478 345 I HA 0.280 4.451 4.170 0.002 0.000 0.287 345 I C 0.727 176.649 176.117 -0.325 0.000 1.042 345 I CA -0.816 60.280 61.300 -0.340 0.000 1.067 345 I CB 2.042 39.751 38.000 -0.485 0.000 1.233 345 I HN 0.772 nan 8.210 nan 0.000 0.431 346 G N 4.236 112.872 108.800 -0.272 0.000 2.390 346 G HA2 -0.107 3.854 3.960 0.002 0.000 0.299 346 G HA3 -0.107 3.854 3.960 0.002 0.000 0.299 346 G C 1.053 176.035 174.900 0.136 0.000 1.002 346 G CA 0.836 45.970 45.100 0.056 0.000 0.979 346 G HN 1.589 nan 8.290 nan 0.000 0.513 347 G N -1.938 106.886 108.800 0.040 0.000 2.245 347 G HA2 -0.281 3.680 3.960 0.002 0.000 0.264 347 G HA3 -0.281 3.680 3.960 0.002 0.000 0.264 347 G C 0.561 175.435 174.900 -0.044 0.000 0.985 347 G CA 0.685 45.805 45.100 0.033 0.000 0.625 347 G HN 1.312 nan 8.290 nan 0.000 0.536 348 L N 0.599 121.749 121.223 -0.121 0.000 2.375 348 L HA 0.588 4.929 4.340 0.002 0.000 0.271 348 L C 0.367 177.006 176.870 -0.385 0.000 1.107 348 L CA -0.443 54.201 54.840 -0.327 0.000 0.806 348 L CB 1.141 42.920 42.059 -0.467 0.000 1.146 348 L HN 0.191 nan 8.230 nan 0.000 0.447 349 E N 2.313 122.192 120.200 -0.536 0.000 2.187 349 E HA 0.407 4.758 4.350 0.002 0.000 0.268 349 E C -1.546 174.672 176.600 -0.638 0.000 0.896 349 E CA -0.469 55.688 56.400 -0.404 0.000 0.766 349 E CB 1.950 31.529 29.700 -0.200 0.000 1.142 349 E HN 0.261 nan 8.360 nan 0.000 0.408 350 F N 1.812 121.732 119.950 -0.050 0.000 2.359 350 F HA 0.109 4.637 4.527 0.002 0.000 0.369 350 F C 1.414 177.247 175.800 0.056 0.000 1.084 350 F CA -0.550 57.445 58.000 -0.007 0.000 1.096 350 F CB 1.242 40.218 39.000 -0.039 0.000 1.335 350 F HN 0.432 nan 8.300 nan 0.000 0.457 351 S N 1.248 117.044 115.700 0.160 0.000 2.474 351 S HA 0.139 4.611 4.470 0.002 0.000 0.235 351 S C 0.855 175.583 174.600 0.213 0.000 0.997 351 S CA 0.469 58.765 58.200 0.160 0.000 0.949 351 S CB 0.012 63.287 63.200 0.126 0.000 0.766 351 S HN 0.504 nan 8.310 nan 0.000 0.517 352 A N 0.485 123.475 122.820 0.284 0.000 2.545 352 A HA 0.817 5.138 4.320 0.002 0.000 0.300 352 A C -0.171 177.662 177.584 0.415 0.000 1.252 352 A CA -0.172 52.061 52.037 0.327 0.000 0.753 352 A CB 0.792 19.972 19.000 0.300 0.000 1.144 352 A HN 0.877 nan 8.150 nan 0.000 0.457 353 A N 4.053 127.062 122.820 0.315 0.000 3.370 353 A HA 0.651 4.972 4.320 0.002 0.000 0.295 353 A C -2.885 174.846 177.584 0.246 0.000 1.030 353 A CA -1.141 51.046 52.037 0.250 0.000 0.883 353 A CB 0.335 19.482 19.000 0.244 0.000 1.191 353 A HN 0.499 nan 8.150 nan 0.000 0.507 354 P HA 0.290 nan 4.420 nan 0.000 0.263 354 P C -0.778 176.563 177.300 0.069 0.000 1.195 354 P CA 0.604 63.687 63.100 -0.027 0.000 0.762 354 P CB 0.082 31.734 31.700 -0.081 0.000 0.799 355 F N 0.490 120.417 119.950 -0.039 0.000 2.577 355 F HA 0.783 5.311 4.527 0.002 0.000 0.318 355 F C -0.601 175.137 175.800 -0.103 0.000 1.065 355 F CA -1.308 56.662 58.000 -0.050 0.000 0.929 355 F CB 1.693 40.535 39.000 -0.264 0.000 1.237 355 F HN 0.390 nan 8.300 nan 0.000 0.468 356 S N 0.541 116.360 115.700 0.199 0.000 2.556 356 S HA 0.941 5.412 4.470 0.002 0.000 0.271 356 S C -0.729 173.843 174.600 -0.047 0.000 1.135 356 S CA -0.170 58.072 58.200 0.070 0.000 0.858 356 S CB 1.462 64.767 63.200 0.176 0.000 1.114 356 S HN 1.452 nan 8.310 nan 0.000 0.468 357 G N 0.128 108.853 108.800 -0.125 0.000 3.366 357 G HA2 0.734 4.695 3.960 0.002 0.000 0.179 357 G HA3 0.734 4.695 3.960 0.002 0.000 0.179 357 G C -1.570 173.331 174.900 0.002 0.000 1.143 357 G CA -0.364 44.591 45.100 -0.242 0.000 0.810 357 G HN 1.124 nan 8.290 nan 0.000 0.697 358 W N -1.255 120.050 121.300 0.009 0.000 3.033 358 W HA 0.811 5.472 4.660 0.002 0.000 0.336 358 W C -1.644 174.881 176.519 0.009 0.000 1.173 358 W CA -2.221 55.144 57.345 0.033 0.000 1.185 358 W CB 0.415 29.932 29.460 0.095 0.000 1.425 358 W HN 0.393 nan 8.180 nan 0.000 0.536 359 Y N 2.770 123.234 120.300 0.273 0.000 2.379 359 Y HA 0.242 4.793 4.550 0.002 0.000 0.337 359 Y C 0.824 176.767 175.900 0.071 0.000 1.238 359 Y CA -0.469 57.678 58.100 0.078 0.000 1.405 359 Y CB 1.030 39.435 38.460 -0.090 0.000 1.310 359 Y HN 0.480 nan 8.280 nan 0.000 0.569 360 M N 2.228 121.969 119.600 0.235 0.000 2.205 360 M HA 0.200 4.682 4.480 0.002 0.000 0.344 360 M C 1.006 177.297 176.300 -0.014 0.000 1.085 360 M CA -0.341 55.029 55.300 0.116 0.000 1.001 360 M CB 1.142 33.794 32.600 0.086 0.000 1.626 360 M HN 0.839 nan 8.290 nan 0.000 0.442 361 S N 1.387 117.037 115.700 -0.083 0.000 2.413 361 S HA -0.225 4.246 4.470 0.002 0.000 0.237 361 S C 1.466 175.928 174.600 -0.231 0.000 1.044 361 S CA 2.315 60.393 58.200 -0.203 0.000 1.024 361 S CB -1.457 61.666 63.200 -0.129 0.000 0.829 361 S HN 0.928 nan 8.310 nan 0.000 0.475 362 T N 0.161 114.607 114.554 -0.180 0.000 2.915 362 T HA -0.038 4.313 4.350 0.002 0.000 0.269 362 T C 1.574 176.114 174.700 -0.267 0.000 1.071 362 T CA 1.230 63.179 62.100 -0.253 0.000 1.132 362 T CB -0.590 68.095 68.868 -0.304 0.000 0.878 362 T HN 0.599 nan 8.240 nan 0.000 0.479 363 E N 0.844 120.905 120.200 -0.231 0.000 2.118 363 E HA -0.054 4.297 4.350 0.002 0.000 0.195 363 E C 2.026 178.347 176.600 -0.465 0.000 0.992 363 E CA 1.366 57.625 56.400 -0.235 0.000 0.804 363 E CB -0.275 29.418 29.700 -0.011 0.000 0.741 363 E HN 0.603 nan 8.360 nan 0.000 0.458 364 I N -0.099 120.070 120.570 -0.668 0.000 2.364 364 I HA -0.034 4.137 4.170 0.002 0.000 0.241 364 I C 2.584 178.348 176.117 -0.588 0.000 1.082 364 I CA 0.796 61.533 61.300 -0.939 0.000 1.401 364 I CB -0.523 36.836 38.000 -1.068 0.000 1.126 364 I HN 0.097 nan 8.210 nan 0.000 0.429 365 G N 0.172 108.728 108.800 -0.406 0.000 2.432 365 G HA2 -0.180 3.781 3.960 0.002 0.000 0.219 365 G HA3 -0.180 3.781 3.960 0.002 0.000 0.219 365 G C 1.589 176.368 174.900 -0.202 0.000 1.135 365 G CA 1.636 46.588 45.100 -0.246 0.000 0.767 365 G HN 0.306 nan 8.290 nan 0.000 0.550 366 T N -0.429 113.981 114.554 -0.240 0.000 3.053 366 T HA 0.120 4.471 4.350 0.002 0.000 0.236 366 T C 2.519 177.103 174.700 -0.193 0.000 0.996 366 T CA 0.139 62.120 62.100 -0.198 0.000 1.185 366 T CB 0.116 68.851 68.868 -0.221 0.000 0.892 366 T HN 0.000 nan 8.240 nan 0.000 0.432 367 R N 2.024 122.387 120.500 -0.229 0.000 2.055 367 R HA 0.163 4.504 4.340 0.002 0.000 0.228 367 R C 2.144 178.314 176.300 -0.217 0.000 1.143 367 R CA 1.073 57.048 56.100 -0.209 0.000 0.945 367 R CB -1.138 29.038 30.300 -0.208 0.000 0.841 367 R HN 0.310 nan 8.270 nan 0.000 0.429 368 N N 0.906 119.417 118.700 -0.315 0.000 2.120 368 N HA -0.077 4.664 4.740 0.002 0.000 0.188 368 N C 1.945 177.338 175.510 -0.195 0.000 1.024 368 N CA 1.085 53.927 53.050 -0.347 0.000 0.852 368 N CB -0.215 37.727 38.487 -0.909 0.000 1.003 368 N HN 0.176 nan 8.380 nan 0.000 0.424 369 L N -0.857 120.219 121.223 -0.245 0.000 2.354 369 L HA 0.092 4.433 4.340 0.002 0.000 0.212 369 L C 1.357 178.246 176.870 0.032 0.000 1.091 369 L CA 0.360 55.161 54.840 -0.065 0.000 0.828 369 L CB 0.202 42.206 42.059 -0.092 0.000 0.973 369 L HN 0.153 nan 8.230 nan 0.000 0.461 370 C N -1.431 117.849 119.300 -0.033 0.000 3.065 370 C HA 0.167 4.628 4.460 0.002 0.000 0.285 370 C C 0.731 175.709 174.990 -0.021 0.000 1.257 370 C CA -0.891 58.123 59.018 -0.008 0.000 1.691 370 C CB -0.402 27.318 27.740 -0.033 0.000 2.089 370 C HN 0.293 nan 8.230 nan 0.000 0.630 371 D N 2.802 123.162 120.400 -0.067 0.000 2.443 371 D HA 0.052 4.693 4.640 0.002 0.000 0.239 371 D C -1.041 175.246 176.300 -0.022 0.000 1.136 371 D CA -1.350 52.597 54.000 -0.089 0.000 0.879 371 D CB 0.718 41.333 40.800 -0.308 0.000 1.195 371 D HN 0.184 nan 8.370 nan 0.000 0.443 372 P HA -0.152 nan 4.420 nan 0.000 0.218 372 P C 0.659 178.049 177.300 0.151 0.000 1.149 372 P CA 1.313 64.490 63.100 0.129 0.000 0.817 372 P CB 0.035 31.823 31.700 0.147 0.000 0.785 373 H N -2.356 116.722 119.070 0.014 0.000 2.517 373 H HA 0.366 4.923 4.556 0.002 0.000 0.282 373 H C 0.968 176.303 175.328 0.013 0.000 1.023 373 H CA -0.338 55.716 56.048 0.010 0.000 1.169 373 H CB -0.090 29.678 29.762 0.009 0.000 1.454 373 H HN -0.041 nan 8.280 nan 0.000 0.556 374 R N -0.147 120.241 120.500 -0.187 0.000 3.006 374 R HA 0.186 4.528 4.340 0.002 0.000 0.150 374 R C 1.102 177.378 176.300 -0.039 0.000 1.285 374 R CA -0.720 55.317 56.100 -0.105 0.000 0.813 374 R CB -0.838 29.412 30.300 -0.084 0.000 1.582 374 R HN 0.085 nan 8.270 nan 0.000 0.441 375 Y N 1.521 121.818 120.300 -0.005 0.000 2.421 375 Y HA -0.110 4.441 4.550 0.002 0.000 0.292 375 Y C 0.744 176.661 175.900 0.029 0.000 1.136 375 Y CA 1.118 59.233 58.100 0.026 0.000 1.255 375 Y CB -0.376 38.132 38.460 0.081 0.000 0.991 375 Y HN 0.497 nan 8.280 nan 0.000 0.552 376 N N 0.617 119.402 118.700 0.142 0.000 2.686 376 N HA -0.230 4.511 4.740 0.002 0.000 0.261 376 N C 0.339 175.931 175.510 0.136 0.000 1.001 376 N CA 0.806 53.920 53.050 0.107 0.000 0.764 376 N CB -1.330 37.203 38.487 0.077 0.000 0.898 376 N HN 0.665 nan 8.380 nan 0.000 0.544 377 I N -3.247 117.419 120.570 0.159 0.000 3.793 377 I HA 0.089 4.260 4.170 0.002 0.000 0.315 377 I C 1.479 177.697 176.117 0.169 0.000 1.275 377 I CA -0.402 60.995 61.300 0.162 0.000 1.214 377 I CB -0.072 38.032 38.000 0.174 0.000 1.018 377 I HN 0.097 nan 8.210 nan 0.000 0.439 378 L N 1.888 123.216 121.223 0.174 0.000 1.990 378 L HA -0.247 4.094 4.340 0.002 0.000 0.213 378 L C 2.607 179.700 176.870 0.372 0.000 1.072 378 L CA 2.246 57.220 54.840 0.225 0.000 0.755 378 L CB -0.981 41.163 42.059 0.143 0.000 0.889 378 L HN 0.509 nan 8.230 nan 0.000 0.432 379 E N -1.121 119.305 120.200 0.377 0.000 2.077 379 E HA -0.227 4.124 4.350 0.002 0.000 0.193 379 E C 1.769 178.431 176.600 0.104 0.000 0.989 379 E CA 1.257 57.822 56.400 0.275 0.000 0.800 379 E CB 0.033 29.813 29.700 0.134 0.000 0.746 379 E HN 0.497 nan 8.360 nan 0.000 0.452 380 D N 0.064 120.522 120.400 0.097 0.000 2.092 380 D HA -0.166 4.475 4.640 0.002 0.000 0.193 380 D C 2.057 178.379 176.300 0.036 0.000 0.994 380 D CA 1.428 55.451 54.000 0.039 0.000 0.828 380 D CB -0.237 40.593 40.800 0.050 0.000 0.963 380 D HN 0.138 nan 8.370 nan 0.000 0.450 381 V N 1.441 121.434 119.914 0.133 0.000 2.490 381 V HA -0.193 3.928 4.120 0.002 0.000 0.250 381 V C 2.487 178.692 176.094 0.186 0.000 1.061 381 V CA 1.570 64.007 62.300 0.228 0.000 1.064 381 V CB -0.709 31.327 31.823 0.355 0.000 0.670 381 V HN 0.168 nan 8.190 nan 0.000 0.461 382 A N -0.048 122.883 122.820 0.185 0.000 1.898 382 A HA -0.116 4.205 4.320 0.002 0.000 0.216 382 A C 2.368 179.933 177.584 -0.030 0.000 1.181 382 A CA 1.851 53.990 52.037 0.171 0.000 0.620 382 A CB -0.572 18.627 19.000 0.330 0.000 0.819 382 A HN 0.336 nan 8.150 nan 0.000 0.442 383 V N -0.817 119.031 119.914 -0.111 0.000 2.427 383 V HA -0.291 3.830 4.120 0.002 0.000 0.248 383 V C 2.579 178.511 176.094 -0.270 0.000 1.051 383 V CA 1.930 64.117 62.300 -0.187 0.000 1.048 383 V CB -1.074 30.644 31.823 -0.174 0.000 0.666 383 V HN 0.703 nan 8.190 nan 0.000 0.456 384 C N -0.433 118.639 119.300 -0.379 0.000 2.435 384 C HA -0.084 4.377 4.460 0.002 0.000 0.279 384 C C 2.630 177.097 174.990 -0.871 0.000 1.321 384 C CA 0.838 59.357 59.018 -0.832 0.000 1.752 384 C CB -0.932 26.016 27.740 -1.320 0.000 1.959 384 C HN 0.518 nan 8.230 nan 0.000 0.500 385 M N 0.285 119.661 119.600 -0.374 0.000 2.618 385 M HA 0.017 4.498 4.480 0.002 0.000 0.240 385 M C 0.529 176.788 176.300 -0.067 0.000 1.123 385 M CA 0.844 56.117 55.300 -0.046 0.000 1.060 385 M CB -0.366 32.343 32.600 0.183 0.000 1.535 385 M HN 0.263 nan 8.290 nan 0.000 0.507 386 D N 1.664 121.973 120.400 -0.151 0.000 2.699 386 D HA -0.162 4.479 4.640 0.002 0.000 0.239 386 D C -1.035 175.229 176.300 -0.059 0.000 1.136 386 D CA 0.539 54.470 54.000 -0.115 0.000 0.668 386 D CB -1.055 39.686 40.800 -0.099 0.000 1.060 386 D HN 0.311 nan 8.370 nan 0.000 0.429 387 L N 0.148 121.343 121.223 -0.047 0.000 2.375 387 L HA 0.379 4.720 4.340 0.002 0.000 0.268 387 L C 0.878 177.696 176.870 -0.087 0.000 1.058 387 L CA -0.924 53.916 54.840 0.001 0.000 0.803 387 L CB 0.913 43.044 42.059 0.120 0.000 1.212 387 L HN -0.008 nan 8.230 nan 0.000 0.451 388 D N 0.311 120.685 120.400 -0.044 0.000 2.383 388 D HA 0.013 4.654 4.640 0.002 0.000 0.245 388 D C 0.953 177.100 176.300 -0.256 0.000 1.263 388 D CA -0.193 53.744 54.000 -0.105 0.000 0.936 388 D CB 0.704 41.493 40.800 -0.018 0.000 1.053 388 D HN 0.567 nan 8.370 nan 0.000 0.507 389 T N 0.788 115.009 114.554 -0.555 0.000 3.219 389 T HA 0.109 4.460 4.350 0.002 0.000 0.249 389 T C 1.483 175.888 174.700 -0.490 0.000 1.099 389 T CA -0.120 61.291 62.100 -1.149 0.000 0.988 389 T CB -0.047 67.996 68.868 -1.375 0.000 0.999 389 T HN 0.267 nan 8.240 nan 0.000 0.550 390 R N 0.463 120.833 120.500 -0.217 0.000 2.090 390 R HA 0.119 4.460 4.340 0.002 0.000 0.228 390 R C 1.159 177.475 176.300 0.026 0.000 1.110 390 R CA 0.937 56.989 56.100 -0.080 0.000 0.973 390 R CB -0.093 30.175 30.300 -0.054 0.000 0.869 390 R HN 0.398 nan 8.270 nan 0.000 0.440 391 T N -1.558 113.054 114.554 0.098 0.000 2.906 391 T HA 0.143 4.494 4.350 0.002 0.000 0.295 391 T C 1.131 176.007 174.700 0.293 0.000 1.075 391 T CA -0.498 61.699 62.100 0.162 0.000 1.005 391 T CB 1.918 70.847 68.868 0.101 0.000 1.136 391 T HN 0.220 nan 8.240 nan 0.000 0.498 392 T N 0.215 114.892 114.554 0.205 0.000 2.857 392 T HA -0.074 4.277 4.350 0.002 0.000 0.266 392 T C 2.149 176.904 174.700 0.091 0.000 1.048 392 T CA 1.607 63.790 62.100 0.138 0.000 1.139 392 T CB -0.878 68.026 68.868 0.060 0.000 0.874 392 T HN 0.686 nan 8.240 nan 0.000 0.455 393 S N 2.516 118.269 115.700 0.087 0.000 2.465 393 S HA -0.144 4.327 4.470 0.002 0.000 0.241 393 S C 2.182 176.829 174.600 0.079 0.000 1.000 393 S CA 1.180 59.418 58.200 0.064 0.000 0.964 393 S CB -1.035 62.196 63.200 0.053 0.000 0.763 393 S HN 0.799 nan 8.310 nan 0.000 0.512 394 S N 1.730 117.512 115.700 0.136 0.000 2.489 394 S HA 0.210 4.681 4.470 0.002 0.000 0.228 394 S C 0.957 175.639 174.600 0.137 0.000 0.995 394 S CA 0.339 58.628 58.200 0.148 0.000 0.934 394 S CB -0.955 62.369 63.200 0.206 0.000 0.771 394 S HN 0.653 nan 8.310 nan 0.000 0.522 395 L N 0.818 122.093 121.223 0.086 0.000 3.717 395 L HA -0.162 4.179 4.340 0.002 0.000 0.411 395 L C 1.545 178.417 176.870 0.004 0.000 1.233 395 L CA 0.594 55.421 54.840 -0.021 0.000 0.917 395 L CB -2.553 39.505 42.059 -0.003 0.000 1.902 395 L HN 0.716 nan 8.230 nan 0.000 0.894 396 W N -0.120 121.193 121.300 0.022 0.000 2.374 396 W HA -0.118 4.542 4.660 0.001 0.000 0.288 396 W C 1.720 178.260 176.519 0.035 0.000 1.218 396 W CA 1.261 58.623 57.345 0.028 0.000 1.245 396 W CB -0.682 28.790 29.460 0.021 0.000 1.126 396 W HN 0.292 nan 8.180 nan 0.000 0.545 397 K N 1.092 121.015 120.400 -0.794 0.000 2.026 397 K HA -0.162 4.159 4.320 0.002 0.000 0.208 397 K C 1.531 177.969 176.600 -0.269 0.000 1.048 397 K CA 2.369 58.223 56.287 -0.723 0.000 0.929 397 K CB -0.332 31.613 32.500 -0.924 0.000 0.713 397 K HN 0.041 nan 8.250 nan 0.000 0.439 398 D N 0.542 120.818 120.400 -0.207 0.000 2.144 398 D HA -0.114 4.527 4.640 0.002 0.000 0.200 398 D C 1.648 177.934 176.300 -0.024 0.000 0.978 398 D CA 1.134 55.074 54.000 -0.099 0.000 0.833 398 D CB 0.053 40.806 40.800 -0.079 0.000 0.961 398 D HN 0.116 nan 8.370 nan 0.000 0.470 399 K N 0.458 120.868 120.400 0.017 0.000 2.025 399 K HA 0.011 4.332 4.320 0.002 0.000 0.207 399 K C 2.193 178.859 176.600 0.110 0.000 1.049 399 K CA 1.127 57.460 56.287 0.076 0.000 0.933 399 K CB -0.126 32.441 32.500 0.113 0.000 0.714 399 K HN 0.091 nan 8.250 nan 0.000 0.438 400 A N 1.456 124.360 122.820 0.140 0.000 1.930 400 A HA -0.052 4.269 4.320 0.002 0.000 0.217 400 A C 2.351 180.020 177.584 0.141 0.000 1.175 400 A CA 1.611 53.764 52.037 0.193 0.000 0.627 400 A CB -0.585 18.569 19.000 0.256 0.000 0.815 400 A HN 0.320 nan 8.150 nan 0.000 0.443 401 A N -0.364 122.493 122.820 0.062 0.000 1.908 401 A HA -0.062 4.259 4.320 0.002 0.000 0.218 401 A C 2.211 179.806 177.584 0.018 0.000 1.181 401 A CA 1.922 53.970 52.037 0.018 0.000 0.627 401 A CB -0.987 17.985 19.000 -0.045 0.000 0.818 401 A HN 0.409 nan 8.150 nan 0.000 0.445 402 V N 0.336 120.268 119.914 0.030 0.000 2.407 402 V HA -0.203 3.918 4.120 0.002 0.000 0.248 402 V C 2.504 178.628 176.094 0.049 0.000 1.055 402 V CA 2.088 64.410 62.300 0.036 0.000 1.049 402 V CB -0.709 31.144 31.823 0.050 0.000 0.662 402 V HN 0.523 nan 8.190 nan 0.000 0.455 403 E N -0.045 120.213 120.200 0.096 0.000 2.150 403 E HA -0.090 4.261 4.350 0.002 0.000 0.193 403 E C 2.130 178.750 176.600 0.034 0.000 0.985 403 E CA 1.083 57.566 56.400 0.138 0.000 0.814 403 E CB -0.219 29.607 29.700 0.209 0.000 0.752 403 E HN 0.587 nan 8.360 nan 0.000 0.466 404 I N 1.233 121.846 120.570 0.072 0.000 2.315 404 I HA -0.250 3.921 4.170 0.002 0.000 0.248 404 I C 1.625 177.701 176.117 -0.067 0.000 1.117 404 I CA 0.956 62.284 61.300 0.045 0.000 1.404 404 I CB -0.275 37.823 38.000 0.162 0.000 1.071 404 I HN 0.019 nan 8.210 nan 0.000 0.419 405 N N 0.608 119.272 118.700 -0.060 0.000 2.270 405 N HA -0.141 4.600 4.740 0.002 0.000 0.181 405 N C 1.656 177.113 175.510 -0.089 0.000 1.016 405 N CA 0.727 53.726 53.050 -0.085 0.000 0.870 405 N CB -0.133 38.315 38.487 -0.065 0.000 0.979 405 N HN 0.156 nan 8.380 nan 0.000 0.431 406 L N 0.657 121.817 121.223 -0.105 0.000 2.056 406 L HA 0.049 4.390 4.340 0.002 0.000 0.207 406 L C 1.986 178.708 176.870 -0.247 0.000 1.078 406 L CA 1.324 56.067 54.840 -0.161 0.000 0.749 406 L CB -0.819 41.115 42.059 -0.207 0.000 0.901 406 L HN 0.144 nan 8.230 nan 0.000 0.433 407 A N -1.236 121.367 122.820 -0.362 0.000 1.933 407 A HA -0.138 4.183 4.320 0.002 0.000 0.218 407 A C 2.237 179.729 177.584 -0.153 0.000 1.175 407 A CA 1.921 53.699 52.037 -0.431 0.000 0.628 407 A CB -1.027 17.413 19.000 -0.933 0.000 0.814 407 A HN 0.305 nan 8.150 nan 0.000 0.444 408 V N 0.005 119.856 119.914 -0.106 0.000 2.295 408 V HA -0.256 3.865 4.120 0.002 0.000 0.246 408 V C 2.564 178.691 176.094 0.055 0.000 1.049 408 V CA 1.972 64.271 62.300 -0.002 0.000 1.024 408 V CB -0.814 30.934 31.823 -0.124 0.000 0.648 408 V HN 0.568 nan 8.190 nan 0.000 0.447 409 L N -0.517 120.693 121.223 -0.022 0.000 2.046 409 L HA -0.225 4.116 4.340 0.002 0.000 0.208 409 L C 2.619 179.517 176.870 0.045 0.000 1.077 409 L CA 2.152 56.995 54.840 0.005 0.000 0.747 409 L CB -0.817 41.233 42.059 -0.015 0.000 0.896 409 L HN 0.489 nan 8.230 nan 0.000 0.432 410 H N -0.133 118.889 119.070 -0.079 0.000 2.267 410 H HA -0.167 4.390 4.556 0.002 0.000 0.297 410 H C 2.374 177.681 175.328 -0.035 0.000 1.080 410 H CA 2.141 58.132 56.048 -0.095 0.000 1.278 410 H CB -0.171 29.469 29.762 -0.203 0.000 1.365 410 H HN 0.144 nan 8.280 nan 0.000 0.489 411 S N -0.257 115.359 115.700 -0.140 0.000 2.365 411 S HA -0.182 4.289 4.470 0.002 0.000 0.225 411 S C 2.112 176.641 174.600 -0.118 0.000 1.039 411 S CA 1.513 59.619 58.200 -0.156 0.000 1.033 411 S CB -0.704 62.503 63.200 0.011 0.000 0.887 411 S HN 0.385 nan 8.310 nan 0.000 0.447 412 F N 1.884 121.764 119.950 -0.116 0.000 2.134 412 F HA -0.160 4.368 4.527 0.002 0.000 0.299 412 F C 2.776 178.518 175.800 -0.098 0.000 1.097 412 F CA 1.317 59.274 58.000 -0.071 0.000 1.264 412 F CB -0.335 38.648 39.000 -0.028 0.000 1.001 412 F HN 0.229 nan 8.300 nan 0.000 0.479 413 Q N -0.556 119.267 119.800 0.039 0.000 2.119 413 Q HA -0.192 4.149 4.340 0.002 0.000 0.201 413 Q C 2.115 178.047 176.000 -0.113 0.000 0.972 413 Q CA 1.192 56.973 55.803 -0.036 0.000 0.847 413 Q CB -0.336 28.374 28.738 -0.046 0.000 0.903 413 Q HN 0.362 nan 8.270 nan 0.000 0.433 414 L N 0.392 121.486 121.223 -0.214 0.000 2.093 414 L HA -0.020 4.321 4.340 0.002 0.000 0.208 414 L C 1.921 178.695 176.870 -0.159 0.000 1.085 414 L CA 1.755 56.457 54.840 -0.230 0.000 0.755 414 L CB -0.481 41.351 42.059 -0.378 0.000 0.904 414 L HN 0.102 nan 8.230 nan 0.000 0.435 415 A N -1.533 121.185 122.820 -0.170 0.000 2.238 415 A HA 0.037 4.358 4.320 0.002 0.000 0.208 415 A C 0.762 178.275 177.584 -0.119 0.000 1.177 415 A CA 0.070 52.012 52.037 -0.158 0.000 0.804 415 A CB -0.317 18.543 19.000 -0.235 0.000 0.823 415 A HN 0.371 nan 8.150 nan 0.000 0.482 416 K N -0.989 119.355 120.400 -0.092 0.000 3.162 416 K HA -0.121 4.200 4.320 0.002 0.000 0.268 416 K C -0.748 175.825 176.600 -0.046 0.000 1.062 416 K CA 0.753 57.002 56.287 -0.062 0.000 0.769 416 K CB -2.485 29.979 32.500 -0.059 0.000 1.274 416 K HN 0.290 nan 8.250 nan 0.000 0.478 417 V N 1.027 120.929 119.914 -0.020 0.000 2.540 417 V HA 0.211 4.332 4.120 0.002 0.000 0.302 417 V C 0.719 176.916 176.094 0.172 0.000 1.035 417 V CA -0.756 61.576 62.300 0.054 0.000 0.873 417 V CB 2.112 33.921 31.823 -0.024 0.000 0.992 417 V HN 0.298 nan 8.190 nan 0.000 0.428 418 T N 6.231 120.839 114.554 0.090 0.000 2.908 418 T HA 0.414 4.765 4.350 0.002 0.000 0.301 418 T C -0.247 174.507 174.700 0.090 0.000 1.019 418 T CA 0.906 62.980 62.100 -0.044 0.000 1.152 418 T CB 0.062 68.775 68.868 -0.258 0.000 0.966 418 T HN 0.572 nan 8.240 nan 0.000 0.540 419 I N 2.189 122.740 120.570 -0.031 0.000 2.842 419 I HA 0.561 4.732 4.170 0.002 0.000 0.296 419 I C -1.682 174.444 176.117 0.014 0.000 1.538 419 I CA -0.896 60.422 61.300 0.029 0.000 0.994 419 I CB 1.850 39.793 38.000 -0.096 0.000 1.372 419 I HN 0.452 nan 8.210 nan 0.000 0.478 420 V N 5.140 125.122 119.914 0.114 0.000 2.638 420 V HA 0.488 4.609 4.120 0.002 0.000 0.306 420 V C -1.167 174.975 176.094 0.081 0.000 1.052 420 V CA -0.283 62.090 62.300 0.120 0.000 0.885 420 V CB 2.195 34.176 31.823 0.265 0.000 0.999 420 V HN 0.865 nan 8.190 nan 0.000 0.424 421 D N 4.039 124.467 120.400 0.048 0.000 2.358 421 D HA 0.172 4.813 4.640 0.002 0.000 0.244 421 D C 1.241 177.545 176.300 0.007 0.000 1.163 421 D CA 0.186 54.206 54.000 0.033 0.000 0.945 421 D CB 0.445 41.240 40.800 -0.009 0.000 1.152 421 D HN 0.727 nan 8.370 nan 0.000 0.451 422 H N -0.373 118.622 119.070 -0.124 0.000 2.491 422 H HA -0.108 4.449 4.556 0.002 0.000 0.290 422 H C 0.901 176.120 175.328 -0.182 0.000 1.050 422 H CA 1.184 57.125 56.048 -0.178 0.000 1.309 422 H CB -0.491 29.111 29.762 -0.266 0.000 1.392 422 H HN 0.505 nan 8.280 nan 0.000 0.554 423 H N 1.157 120.010 119.070 -0.361 0.000 2.317 423 H HA 0.168 4.725 4.556 0.002 0.000 0.304 423 H C 2.527 177.825 175.328 -0.050 0.000 1.067 423 H CA 1.324 57.256 56.048 -0.193 0.000 1.352 423 H CB -0.330 29.289 29.762 -0.237 0.000 1.398 423 H HN 0.486 nan 8.280 nan 0.000 0.510 424 A N 1.520 124.388 122.820 0.080 0.000 1.883 424 A HA -0.126 4.195 4.320 0.002 0.000 0.217 424 A C 2.698 180.349 177.584 0.111 0.000 1.186 424 A CA 1.967 54.056 52.037 0.087 0.000 0.624 424 A CB -0.923 18.120 19.000 0.072 0.000 0.822 424 A HN 0.436 nan 8.150 nan 0.000 0.444 425 A N -0.247 122.638 122.820 0.108 0.000 1.883 425 A HA -0.147 4.174 4.320 0.002 0.000 0.217 425 A C 2.457 180.136 177.584 0.158 0.000 1.186 425 A CA 2.768 54.889 52.037 0.139 0.000 0.624 425 A CB -1.492 17.578 19.000 0.117 0.000 0.822 425 A HN 0.806 nan 8.150 nan 0.000 0.444 426 T N -2.748 111.884 114.554 0.129 0.000 2.904 426 T HA -0.047 4.304 4.350 0.002 0.000 0.267 426 T C 1.659 176.488 174.700 0.215 0.000 1.059 426 T CA 1.302 63.507 62.100 0.174 0.000 1.137 426 T CB -0.614 68.325 68.868 0.119 0.000 0.879 426 T HN 0.066 nan 8.240 nan 0.000 0.467 427 V N 2.833 122.846 119.914 0.165 0.000 2.358 427 V HA -0.153 3.968 4.120 0.002 0.000 0.246 427 V C 3.195 179.377 176.094 0.147 0.000 1.047 427 V CA 1.990 64.376 62.300 0.144 0.000 1.035 427 V CB -0.934 30.955 31.823 0.110 0.000 0.658 427 V HN 0.785 nan 8.190 nan 0.000 0.452 428 S N -0.215 115.583 115.700 0.163 0.000 2.423 428 S HA -0.187 4.284 4.470 0.002 0.000 0.231 428 S C 1.936 176.657 174.600 0.201 0.000 1.014 428 S CA 1.326 59.623 58.200 0.162 0.000 0.965 428 S CB -0.683 62.618 63.200 0.169 0.000 0.785 428 S HN 0.505 nan 8.310 nan 0.000 0.495 429 F N 2.139 122.151 119.950 0.104 0.000 2.259 429 F HA 0.153 4.681 4.527 0.002 0.000 0.298 429 F C 2.204 178.093 175.800 0.147 0.000 1.088 429 F CA 0.963 59.039 58.000 0.125 0.000 1.358 429 F CB -0.326 38.728 39.000 0.090 0.000 1.040 429 F HN 0.090 nan 8.300 nan 0.000 0.505 430 M N 0.162 119.817 119.600 0.092 0.000 2.117 430 M HA -0.177 4.304 4.480 0.002 0.000 0.262 430 M C 2.213 178.479 176.300 -0.058 0.000 1.065 430 M CA 1.510 56.813 55.300 0.005 0.000 1.114 430 M CB -1.226 31.431 32.600 0.094 0.000 1.361 430 M HN 0.073 nan 8.290 nan 0.000 0.408 431 K N -0.250 120.150 120.400 0.000 0.000 2.057 431 K HA -0.206 4.115 4.320 0.002 0.000 0.207 431 K C 1.977 178.554 176.600 -0.039 0.000 1.049 431 K CA 1.790 58.076 56.287 -0.002 0.000 0.931 431 K CB -0.655 31.869 32.500 0.041 0.000 0.714 431 K HN 0.392 nan 8.250 nan 0.000 0.440 432 H N 0.045 119.025 119.070 -0.150 0.000 2.353 432 H HA -0.008 4.549 4.556 0.002 0.000 0.300 432 H C 1.690 176.853 175.328 -0.275 0.000 1.090 432 H CA 2.139 58.074 56.048 -0.188 0.000 1.327 432 H CB -0.165 29.464 29.762 -0.222 0.000 1.383 432 H HN 0.178 nan 8.280 nan 0.000 0.508 433 L N -0.272 120.648 121.223 -0.505 0.000 2.042 433 L HA -0.179 4.162 4.340 0.002 0.000 0.210 433 L C 2.313 179.010 176.870 -0.288 0.000 1.076 433 L CA 1.941 56.505 54.840 -0.460 0.000 0.749 433 L CB -0.495 41.354 42.059 -0.349 0.000 0.893 433 L HN 0.402 nan 8.230 nan 0.000 0.432 434 D N -0.187 120.096 120.400 -0.196 0.000 2.097 434 D HA -0.185 4.456 4.640 0.002 0.000 0.197 434 D C 1.942 178.166 176.300 -0.127 0.000 0.984 434 D CA 1.121 55.047 54.000 -0.122 0.000 0.826 434 D CB 0.125 40.881 40.800 -0.072 0.000 0.973 434 D HN 0.158 nan 8.370 nan 0.000 0.460 435 N N 0.498 119.112 118.700 -0.143 0.000 2.104 435 N HA -0.139 4.602 4.740 0.002 0.000 0.190 435 N C 1.580 177.006 175.510 -0.139 0.000 1.024 435 N CA 0.864 53.852 53.050 -0.105 0.000 0.853 435 N CB -0.250 38.205 38.487 -0.054 0.000 1.008 435 N HN 0.341 nan 8.380 nan 0.000 0.424 436 E N 0.594 120.628 120.200 -0.276 0.000 2.152 436 E HA -0.127 4.224 4.350 0.002 0.000 0.192 436 E C 1.885 178.390 176.600 -0.159 0.000 0.983 436 E CA 0.463 56.705 56.400 -0.263 0.000 0.818 436 E CB -0.124 29.309 29.700 -0.445 0.000 0.758 436 E HN 0.313 nan 8.360 nan 0.000 0.467 437 Q N 1.605 121.318 119.800 -0.145 0.000 2.096 437 Q HA -0.139 4.202 4.340 0.002 0.000 0.204 437 Q C 1.758 177.718 176.000 -0.067 0.000 0.982 437 Q CA 1.788 57.539 55.803 -0.087 0.000 0.850 437 Q CB 0.015 28.709 28.738 -0.074 0.000 0.901 437 Q HN 0.161 nan 8.270 nan 0.000 0.422 438 K N -0.839 119.523 120.400 -0.065 0.000 2.103 438 K HA 0.048 4.369 4.320 0.002 0.000 0.204 438 K C 2.036 178.612 176.600 -0.040 0.000 1.052 438 K CA 0.988 57.248 56.287 -0.046 0.000 0.945 438 K CB -0.147 32.331 32.500 -0.037 0.000 0.722 438 K HN 0.216 nan 8.250 nan 0.000 0.443 439 A N 1.447 124.241 122.820 -0.043 0.000 1.898 439 A HA -0.042 4.279 4.320 0.002 0.000 0.214 439 A C 1.828 179.393 177.584 -0.032 0.000 1.183 439 A CA 1.060 53.083 52.037 -0.023 0.000 0.622 439 A CB -0.002 18.998 19.000 0.000 0.000 0.824 439 A HN 0.155 nan 8.150 nan 0.000 0.444 440 R N -2.626 117.842 120.500 -0.052 0.000 2.531 440 R HA 0.265 4.606 4.340 0.002 0.000 0.316 440 R C 0.848 177.119 176.300 -0.048 0.000 0.955 440 R CA 0.528 56.600 56.100 -0.046 0.000 1.120 440 R CB 0.740 31.009 30.300 -0.052 0.000 1.361 440 R HN 0.679 nan 8.270 nan 0.000 0.534 441 G N 0.825 109.592 108.800 -0.055 0.000 2.136 441 G HA2 -0.184 3.777 3.960 0.002 0.000 0.242 441 G HA3 -0.184 3.777 3.960 0.002 0.000 0.242 441 G C 0.207 175.089 174.900 -0.030 0.000 0.989 441 G CA 0.018 45.082 45.100 -0.060 0.000 0.682 441 G HN 0.721 nan 8.290 nan 0.000 0.522 442 G N -2.408 106.384 108.800 -0.013 0.000 2.320 442 G HA2 0.548 4.509 3.960 0.002 0.000 0.297 442 G HA3 0.548 4.509 3.960 0.002 0.000 0.297 442 G C -0.889 174.033 174.900 0.035 0.000 1.344 442 G CA 0.420 45.548 45.100 0.046 0.000 0.851 442 G HN 1.920 nan 8.290 nan 0.000 0.567 443 C N 1.993 121.346 119.300 0.088 0.000 2.968 443 C HA 0.637 5.098 4.460 0.002 0.000 0.389 443 C C -2.573 172.401 174.990 -0.027 0.000 1.068 443 C CA -1.084 57.933 59.018 -0.002 0.000 1.272 443 C CB 1.019 28.698 27.740 -0.102 0.000 1.711 443 C HN 0.704 nan 8.230 nan 0.000 0.501 444 P HA 0.355 nan 4.420 nan 0.000 0.262 444 P C -0.548 176.653 177.300 -0.164 0.000 1.199 444 P CA 0.748 63.486 63.100 -0.604 0.000 0.763 444 P CB 0.860 31.920 31.700 -1.066 0.000 0.790 445 A N 2.905 125.704 122.820 -0.036 0.000 2.455 445 A HA 0.400 4.721 4.320 0.002 0.000 0.300 445 A C -0.929 176.709 177.584 0.091 0.000 1.040 445 A CA -0.582 51.514 52.037 0.098 0.000 0.697 445 A CB 1.261 20.436 19.000 0.292 0.000 1.265 445 A HN 0.429 nan 8.150 nan 0.000 0.407 446 D N 2.099 122.536 120.400 0.062 0.000 2.428 446 D HA 0.135 4.776 4.640 0.002 0.000 0.221 446 D C 0.816 177.239 176.300 0.205 0.000 1.123 446 D CA -0.461 53.605 54.000 0.111 0.000 0.869 446 D CB 0.336 41.139 40.800 0.005 0.000 1.032 446 D HN 0.593 nan 8.370 nan 0.000 0.506 447 W N 4.246 125.588 121.300 0.069 0.000 2.318 447 W HA -0.293 4.368 4.660 0.002 0.000 0.313 447 W C 1.991 178.553 176.519 0.072 0.000 1.221 447 W CA 2.364 59.740 57.345 0.053 0.000 1.266 447 W CB -0.020 29.447 29.460 0.011 0.000 1.150 447 W HN 0.570 nan 8.180 nan 0.000 0.496 448 A N -1.368 121.729 122.820 0.461 0.000 2.024 448 A HA -0.207 4.114 4.320 0.002 0.000 0.220 448 A C 1.497 179.183 177.584 0.170 0.000 1.164 448 A CA 1.664 53.908 52.037 0.344 0.000 0.643 448 A CB -1.235 17.992 19.000 0.379 0.000 0.806 448 A HN 0.536 nan 8.150 nan 0.000 0.451 449 W N -0.909 120.368 121.300 -0.039 0.000 2.630 449 W HA 0.191 4.852 4.660 0.002 0.000 0.271 449 W C 1.863 178.275 176.519 -0.179 0.000 1.244 449 W CA -0.037 57.260 57.345 -0.080 0.000 1.353 449 W CB -0.021 29.417 29.460 -0.036 0.000 1.080 449 W HN 0.136 nan 8.180 nan 0.000 0.594 450 I N -0.076 120.465 120.570 -0.049 0.000 2.353 450 I HA -0.081 4.091 4.170 0.002 0.000 0.248 450 I C 0.679 176.611 176.117 -0.309 0.000 1.119 450 I CA 0.784 61.929 61.300 -0.258 0.000 1.417 450 I CB -1.547 36.227 38.000 -0.376 0.000 1.078 450 I HN -0.417 nan 8.210 nan 0.000 0.421 451 V N 3.857 123.506 119.914 -0.442 0.000 2.529 451 V HA 0.061 4.182 4.120 0.002 0.000 0.292 451 V C -1.907 174.025 176.094 -0.270 0.000 1.028 451 V CA -1.007 61.026 62.300 -0.444 0.000 1.074 451 V CB -0.021 31.326 31.823 -0.792 0.000 0.958 451 V HN 0.125 nan 8.190 nan 0.000 0.481 452 P HA 0.098 nan 4.420 nan 0.000 0.268 452 P C -1.756 175.417 177.300 -0.211 0.000 1.208 452 P CA -1.021 61.960 63.100 -0.199 0.000 0.777 452 P CB 0.074 31.664 31.700 -0.183 0.000 0.875 453 P HA -0.033 nan 4.420 nan 0.000 0.234 453 P C 0.187 177.374 177.300 -0.188 0.000 1.167 453 P CA 1.230 64.209 63.100 -0.201 0.000 0.763 453 P CB -0.031 31.540 31.700 -0.214 0.000 0.835 454 I N -7.178 113.245 120.570 -0.243 0.000 2.969 454 I HA 0.445 4.616 4.170 0.002 0.000 0.307 454 I C -0.097 175.910 176.117 -0.184 0.000 1.149 454 I CA -1.330 59.844 61.300 -0.210 0.000 1.008 454 I CB 1.892 39.743 38.000 -0.248 0.000 1.232 454 I HN -0.422 nan 8.210 nan 0.000 0.435 455 S N 1.861 117.504 115.700 -0.095 0.000 3.521 455 S HA -0.197 4.274 4.470 0.002 0.000 0.362 455 S C 1.325 175.898 174.600 -0.045 0.000 1.044 455 S CA 0.794 58.980 58.200 -0.023 0.000 1.091 455 S CB -1.753 61.513 63.200 0.110 0.000 0.908 455 S HN 1.275 nan 8.310 nan 0.000 0.473 456 G N 2.618 111.361 108.800 -0.095 0.000 2.721 456 G HA2 -0.342 3.620 3.960 0.002 0.000 0.218 456 G HA3 -0.342 3.620 3.960 0.002 0.000 0.218 456 G C 1.496 176.255 174.900 -0.235 0.000 1.265 456 G CA 1.680 46.730 45.100 -0.084 0.000 0.796 456 G HN 1.339 nan 8.290 nan 0.000 0.620 457 S N 0.480 115.713 115.700 -0.778 0.000 2.537 457 S HA 0.081 4.552 4.470 0.002 0.000 0.240 457 S C 2.083 176.605 174.600 -0.130 0.000 0.981 457 S CA 0.956 58.561 58.200 -0.992 0.000 0.948 457 S CB -0.297 62.171 63.200 -1.221 0.000 0.759 457 S HN 0.335 nan 8.310 nan 0.000 0.531 458 L N 1.922 123.126 121.223 -0.032 0.000 2.599 458 L HA 0.145 4.486 4.340 0.002 0.000 0.230 458 L C 1.123 178.121 176.870 0.213 0.000 1.141 458 L CA 0.413 55.325 54.840 0.120 0.000 0.877 458 L CB -1.033 41.123 42.059 0.160 0.000 1.009 458 L HN 0.497 nan 8.230 nan 0.000 0.447 459 T N -4.780 109.893 114.554 0.197 0.000 2.918 459 T HA 0.348 4.699 4.350 0.002 0.000 0.286 459 T C -1.778 173.107 174.700 0.308 0.000 1.026 459 T CA -1.980 60.257 62.100 0.227 0.000 1.031 459 T CB 2.147 71.100 68.868 0.140 0.000 1.046 459 T HN -0.237 nan 8.240 nan 0.000 0.479 460 P HA -0.111 nan 4.420 nan 0.000 0.217 460 P C 1.854 179.364 177.300 0.350 0.000 1.150 460 P CA 1.293 64.590 63.100 0.329 0.000 0.832 460 P CB -0.371 31.464 31.700 0.225 0.000 0.787 461 V N -3.388 116.680 119.914 0.256 0.000 2.594 461 V HA -0.212 3.909 4.120 0.002 0.000 0.253 461 V C 2.423 178.613 176.094 0.160 0.000 1.069 461 V CA 1.392 63.811 62.300 0.199 0.000 1.082 461 V CB -2.299 29.572 31.823 0.080 0.000 0.680 461 V HN -0.103 nan 8.190 nan 0.000 0.469 462 F N 1.729 121.667 119.950 -0.019 0.000 2.161 462 F HA -0.154 4.374 4.527 0.001 0.000 0.300 462 F C 2.423 178.344 175.800 0.202 0.000 1.089 462 F CA 2.165 60.156 58.000 -0.015 0.000 1.282 462 F CB -0.250 38.623 39.000 -0.212 0.000 1.010 462 F HN 0.275 nan 8.300 nan 0.000 0.485 463 H N -0.837 118.569 119.070 0.560 0.000 2.533 463 H HA 0.113 4.670 4.556 0.002 0.000 0.271 463 H C 0.141 175.718 175.328 0.415 0.000 1.000 463 H CA 0.182 56.512 56.048 0.469 0.000 1.149 463 H CB -0.170 29.845 29.762 0.423 0.000 1.375 463 H HN 0.262 nan 8.280 nan 0.000 0.582 464 Q N 1.879 121.962 119.800 0.471 0.000 2.325 464 Q HA 0.178 4.519 4.340 0.002 0.000 0.262 464 Q C -0.607 175.637 176.000 0.407 0.000 0.968 464 Q CA -0.499 55.538 55.803 0.389 0.000 0.877 464 Q CB 0.997 29.927 28.738 0.320 0.000 1.253 464 Q HN 0.233 nan 8.270 nan 0.000 0.448 465 E N 3.417 123.804 120.200 0.310 0.000 2.390 465 E HA 0.342 4.693 4.350 0.002 0.000 0.261 465 E C -0.461 176.280 176.600 0.235 0.000 1.076 465 E CA 0.169 56.705 56.400 0.226 0.000 0.905 465 E CB 0.882 30.693 29.700 0.185 0.000 0.984 465 E HN 0.598 nan 8.360 nan 0.000 0.427 466 M N 1.040 120.774 119.600 0.225 0.000 2.531 466 M HA 0.387 4.868 4.480 0.002 0.000 0.286 466 M C -1.196 175.216 176.300 0.186 0.000 1.232 466 M CA -1.001 54.437 55.300 0.231 0.000 0.877 466 M CB 2.352 35.139 32.600 0.312 0.000 1.726 466 M HN 0.146 nan 8.290 nan 0.000 0.463 467 V N 1.582 121.618 119.914 0.204 0.000 2.513 467 V HA 0.530 4.651 4.120 0.002 0.000 0.299 467 V C -0.735 175.499 176.094 0.233 0.000 1.035 467 V CA -0.681 61.770 62.300 0.251 0.000 0.889 467 V CB 1.832 33.859 31.823 0.340 0.000 0.988 467 V HN 0.814 nan 8.190 nan 0.000 0.440 468 N N 3.141 121.975 118.700 0.222 0.000 2.342 468 N HA 0.697 5.438 4.740 0.002 0.000 0.293 468 N C -1.284 174.350 175.510 0.207 0.000 1.026 468 N CA -0.436 52.658 53.050 0.073 0.000 0.857 468 N CB 1.597 40.120 38.487 0.060 0.000 1.256 468 N HN 0.678 nan 8.380 nan 0.000 0.484 469 Y N -0.049 120.269 120.300 0.029 0.000 2.713 469 Y HA 0.535 5.086 4.550 0.002 0.000 0.335 469 Y C -1.170 174.732 175.900 0.005 0.000 1.222 469 Y CA -1.228 56.884 58.100 0.020 0.000 1.061 469 Y CB 0.830 39.308 38.460 0.030 0.000 1.314 469 Y HN 0.202 nan 8.280 nan 0.000 0.453 470 I N 3.543 124.212 120.570 0.166 0.000 2.307 470 I HA 0.389 4.560 4.170 0.002 0.000 0.289 470 I C -0.743 175.436 176.117 0.103 0.000 1.021 470 I CA -0.364 60.976 61.300 0.066 0.000 1.224 470 I CB 0.780 38.804 38.000 0.040 0.000 1.376 470 I HN 0.398 nan 8.210 nan 0.000 0.470 471 L N 4.865 126.118 121.223 0.050 0.000 2.322 471 L HA 0.594 4.935 4.340 0.002 0.000 0.269 471 L C 0.051 176.920 176.870 -0.002 0.000 1.012 471 L CA -0.552 54.323 54.840 0.058 0.000 0.815 471 L CB 2.041 44.136 42.059 0.058 0.000 1.295 471 L HN 0.497 nan 8.230 nan 0.000 0.438 472 S N 0.979 116.686 115.700 0.011 0.000 2.542 472 S HA 0.631 5.102 4.470 0.002 0.000 0.293 472 S C -2.594 172.015 174.600 0.015 0.000 1.089 472 S CA -1.408 56.782 58.200 -0.017 0.000 0.961 472 S CB 1.876 65.078 63.200 0.003 0.000 1.062 472 S HN 0.246 nan 8.310 nan 0.000 0.483 473 P HA 0.343 nan 4.420 nan 0.000 0.267 473 P C -1.338 175.838 177.300 -0.207 0.000 1.195 473 P CA 0.102 63.103 63.100 -0.165 0.000 0.773 473 P CB 0.408 31.970 31.700 -0.229 0.000 0.837 474 A N 1.713 124.366 122.820 -0.279 0.000 2.604 474 A HA 0.648 4.969 4.320 0.002 0.000 0.295 474 A C -1.581 175.782 177.584 -0.368 0.000 1.067 474 A CA -0.517 51.360 52.037 -0.267 0.000 0.683 474 A CB 0.782 19.700 19.000 -0.138 0.000 1.281 474 A HN 0.331 nan 8.150 nan 0.000 0.407 475 F N 1.141 121.005 119.950 -0.143 0.000 2.410 475 F HA 0.665 5.193 4.527 0.002 0.000 0.349 475 F C 0.863 176.540 175.800 -0.205 0.000 1.117 475 F CA 0.143 58.058 58.000 -0.142 0.000 1.104 475 F CB 1.759 40.651 39.000 -0.181 0.000 1.122 475 F HN 0.587 nan 8.300 nan 0.000 0.483 476 R N 1.589 122.082 120.500 -0.011 0.000 2.888 476 R HA 0.519 4.860 4.340 0.002 0.000 0.266 476 R C -1.556 174.675 176.300 -0.114 0.000 1.020 476 R CA -1.052 54.968 56.100 -0.135 0.000 0.963 476 R CB 1.200 31.469 30.300 -0.052 0.000 1.197 476 R HN 0.368 nan 8.270 nan 0.000 0.481 477 Y N 0.974 121.295 120.300 0.036 0.000 2.300 477 Y HA 0.267 4.818 4.550 0.002 0.000 0.328 477 Y C 0.462 176.364 175.900 0.003 0.000 1.270 477 Y CA -0.204 57.909 58.100 0.022 0.000 1.352 477 Y CB 0.974 39.434 38.460 0.000 0.000 1.286 477 Y HN 0.464 nan 8.280 nan 0.000 0.536 478 Q N 0.790 120.688 119.800 0.163 0.000 2.456 478 Q HA 0.633 4.974 4.340 0.002 0.000 0.284 478 Q C -3.134 172.848 176.000 -0.031 0.000 1.061 478 Q CA -2.496 53.336 55.803 0.049 0.000 0.799 478 Q CB 1.985 30.744 28.738 0.035 0.000 1.445 478 Q HN 0.268 nan 8.270 nan 0.000 0.411 479 P HA 0.071 nan 4.420 nan 0.000 0.269 479 P C -1.020 176.094 177.300 -0.310 0.000 1.209 479 P CA 0.044 63.032 63.100 -0.186 0.000 0.776 479 P CB 0.376 31.978 31.700 -0.165 0.000 0.876 480 D N 3.586 123.677 120.400 -0.514 0.000 2.425 480 D HA 0.007 4.648 4.640 0.002 0.000 0.247 480 D C -0.940 174.808 176.300 -0.920 0.000 1.147 480 D CA -1.214 52.233 54.000 -0.922 0.000 0.879 480 D CB 0.306 40.176 40.800 -1.550 0.000 1.179 480 D HN 0.292 nan 8.370 nan 0.000 0.456 481 P HA -0.109 nan 4.420 nan 0.000 0.223 481 P C 0.193 177.227 177.300 -0.442 0.000 1.144 481 P CA 0.952 63.728 63.100 -0.540 0.000 0.783 481 P CB 0.103 31.506 31.700 -0.494 0.000 0.771 482 W N 0.000 120.917 121.300 -0.639 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.131 57.345 -0.357 0.000 1.226 482 W CB 0.000 29.189 29.460 -0.452 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535