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 1fol_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 0.000 176.365 176.600 -0.391 0.000 0.988 69 K CA 0.000 56.068 56.287 -0.366 0.000 0.838 69 K CB 0.000 32.176 32.500 -0.540 0.000 1.064 70 F N 5.297 125.269 119.950 0.036 0.000 2.421 70 F HA 0.266 4.794 4.527 0.002 0.000 0.358 70 F C -1.872 174.008 175.800 0.133 0.000 1.115 70 F CA -1.822 56.218 58.000 0.067 0.000 1.160 70 F CB 0.288 39.337 39.000 0.082 0.000 1.123 70 F HN 0.062 nan 8.300 nan 0.000 0.508 71 P HA 0.017 nan 4.420 nan 0.000 0.268 71 P C -0.636 176.704 177.300 0.066 0.000 1.204 71 P CA -0.369 62.806 63.100 0.124 0.000 0.768 71 P CB 0.918 32.666 31.700 0.081 0.000 0.842 72 R N 2.546 123.016 120.500 -0.051 0.000 2.221 72 R HA 0.375 4.717 4.340 0.002 0.000 0.327 72 R C -0.887 175.282 176.300 -0.219 0.000 1.033 72 R CA -0.557 55.323 56.100 -0.367 0.000 0.887 72 R CB 0.480 30.587 30.300 -0.322 0.000 1.057 72 R HN 0.279 nan 8.270 nan 0.000 0.455 73 V N 5.339 125.107 119.914 -0.243 0.000 2.398 73 V HA 0.330 4.451 4.120 0.002 0.000 0.286 73 V C -0.076 175.931 176.094 -0.146 0.000 1.026 73 V CA -0.653 61.580 62.300 -0.112 0.000 0.868 73 V CB 1.405 33.205 31.823 -0.038 0.000 0.982 73 V HN 0.698 nan 8.190 nan 0.000 0.443 74 K N 3.923 124.253 120.400 -0.117 0.000 2.259 74 K HA 0.438 4.759 4.320 0.002 0.000 0.249 74 K C -0.627 175.881 176.600 -0.152 0.000 0.942 74 K CA -0.733 55.414 56.287 -0.232 0.000 0.816 74 K CB 1.541 33.753 32.500 -0.480 0.000 1.155 74 K HN 0.700 nan 8.250 nan 0.000 0.428 75 N N 3.958 122.555 118.700 -0.171 0.000 2.469 75 N HA 0.109 4.850 4.740 0.002 0.000 0.253 75 N C -0.441 175.018 175.510 -0.085 0.000 0.970 75 N CA -0.418 52.634 53.050 0.003 0.000 0.940 75 N CB 0.482 38.989 38.487 0.034 0.000 1.128 75 N HN 0.676 nan 8.380 nan 0.000 0.503 76 W N 2.018 123.386 121.300 0.113 0.000 3.077 76 W HA 0.128 4.790 4.660 0.002 0.000 0.245 76 W C 1.939 178.498 176.519 0.067 0.000 1.316 76 W CA -0.117 57.288 57.345 0.100 0.000 1.537 76 W CB 0.275 29.820 29.460 0.141 0.000 1.131 76 W HN 0.661 nan 8.180 nan 0.000 0.695 77 E N 0.085 120.401 120.200 0.194 0.000 2.276 77 E HA -0.025 4.326 4.350 0.002 0.000 0.193 77 E C 1.567 178.184 176.600 0.029 0.000 0.983 77 E CA 0.735 57.165 56.400 0.051 0.000 0.861 77 E CB 0.021 29.714 29.700 -0.012 0.000 0.817 77 E HN 0.281 nan 8.360 nan 0.000 0.485 78 L N -1.092 120.145 121.223 0.022 0.000 2.701 78 L HA 0.388 4.729 4.340 0.002 0.000 0.238 78 L C 1.426 178.270 176.870 -0.043 0.000 1.106 78 L CA 0.349 55.186 54.840 -0.006 0.000 0.898 78 L CB 0.854 42.913 42.059 0.000 0.000 1.188 78 L HN 0.310 nan 8.230 nan 0.000 0.508 79 G N 0.975 109.721 108.800 -0.089 0.000 2.168 79 G HA2 -0.331 3.630 3.960 0.002 0.000 0.263 79 G HA3 -0.331 3.630 3.960 0.002 0.000 0.263 79 G C 0.439 175.245 174.900 -0.156 0.000 0.977 79 G CA 0.546 45.552 45.100 -0.156 0.000 0.659 79 G HN 0.487 nan 8.290 nan 0.000 0.533 80 S N -0.492 115.137 115.700 -0.119 0.000 2.592 80 S HA 0.772 5.243 4.470 0.002 0.000 0.271 80 S C 0.196 174.713 174.600 -0.139 0.000 1.326 80 S CA -0.363 57.778 58.200 -0.099 0.000 1.024 80 S CB 1.983 65.148 63.200 -0.058 0.000 0.921 80 S HN 0.624 nan 8.310 nan 0.000 0.527 81 I N 1.172 121.667 120.570 -0.124 0.000 2.934 81 I HA 0.601 4.772 4.170 0.002 0.000 0.306 81 I C -0.285 175.745 176.117 -0.145 0.000 1.110 81 I CA -0.650 60.548 61.300 -0.171 0.000 1.019 81 I CB 2.767 40.647 38.000 -0.200 0.000 1.227 81 I HN 1.015 nan 8.210 nan 0.000 0.434 82 T N -0.242 114.176 114.554 -0.226 0.000 2.792 82 T HA 0.576 4.927 4.350 0.002 0.000 0.303 82 T C -1.555 172.952 174.700 -0.323 0.000 1.310 82 T CA -0.805 61.203 62.100 -0.153 0.000 1.007 82 T CB 1.567 70.400 68.868 -0.060 0.000 1.335 82 T HN 0.297 nan 8.240 nan 0.000 0.504 83 Y N 0.493 120.786 120.300 -0.011 0.000 2.326 83 Y HA 0.442 4.993 4.550 0.002 0.000 0.331 83 Y C 0.005 175.909 175.900 0.007 0.000 0.962 83 Y CA -0.929 57.177 58.100 0.009 0.000 1.167 83 Y CB 1.558 40.009 38.460 -0.015 0.000 1.148 83 Y HN 0.730 nan 8.280 nan 0.000 0.463 84 D N 2.449 122.944 120.400 0.159 0.000 2.336 84 D HA 0.053 4.694 4.640 0.002 0.000 0.249 84 D C 0.723 177.124 176.300 0.169 0.000 1.213 84 D CA 0.283 54.364 54.000 0.134 0.000 0.870 84 D CB 1.181 42.067 40.800 0.145 0.000 1.076 84 D HN 0.790 nan 8.370 nan 0.000 0.483 85 T N 1.078 115.673 114.554 0.068 0.000 3.001 85 T HA -0.040 4.311 4.350 0.002 0.000 0.251 85 T C 1.797 176.527 174.700 0.050 0.000 1.040 85 T CA -0.298 61.825 62.100 0.040 0.000 0.985 85 T CB 0.161 68.839 68.868 -0.318 0.000 1.011 85 T HN 0.248 nan 8.240 nan 0.000 0.509 86 L N 2.637 123.866 121.223 0.010 0.000 2.093 86 L HA 0.055 4.396 4.340 0.002 0.000 0.208 86 L C 2.671 179.438 176.870 -0.171 0.000 1.085 86 L CA 1.332 56.172 54.840 0.001 0.000 0.755 86 L CB -1.040 41.081 42.059 0.102 0.000 0.904 86 L HN 0.656 nan 8.230 nan 0.000 0.435 87 C N -1.224 117.759 119.300 -0.528 0.000 2.400 87 C HA -0.065 4.396 4.460 0.002 0.000 0.291 87 C C 2.768 177.486 174.990 -0.452 0.000 1.372 87 C CA 0.289 58.594 59.018 -1.189 0.000 1.800 87 C CB -2.321 24.739 27.740 -1.132 0.000 1.869 87 C HN 0.582 nan 8.230 nan 0.000 0.533 88 A N 0.189 122.915 122.820 -0.156 0.000 2.015 88 A HA -0.091 4.230 4.320 0.002 0.000 0.219 88 A C 2.317 179.883 177.584 -0.030 0.000 1.163 88 A CA 1.365 53.379 52.037 -0.039 0.000 0.646 88 A CB -0.493 18.594 19.000 0.146 0.000 0.806 88 A HN 0.737 nan 8.150 nan 0.000 0.448 89 Q N 0.230 120.015 119.800 -0.026 0.000 2.472 89 Q HA 0.026 4.367 4.340 0.002 0.000 0.208 89 Q C 0.665 176.681 176.000 0.026 0.000 0.958 89 Q CA 0.347 56.159 55.803 0.016 0.000 0.932 89 Q CB -0.309 28.453 28.738 0.039 0.000 1.007 89 Q HN 0.501 nan 8.270 nan 0.000 0.508 90 S N 1.122 116.821 115.700 -0.000 0.000 2.498 90 S HA 0.009 4.480 4.470 0.002 0.000 0.281 90 S C 0.908 175.527 174.600 0.032 0.000 1.265 90 S CA -0.087 58.142 58.200 0.049 0.000 1.071 90 S CB 0.484 63.719 63.200 0.059 0.000 0.894 90 S HN 0.132 nan 8.310 nan 0.000 0.491 91 Q N 2.253 122.080 119.800 0.045 0.000 2.317 91 Q HA 0.195 4.536 4.340 0.002 0.000 0.220 91 Q C 0.118 176.136 176.000 0.031 0.000 0.873 91 Q CA 0.167 55.990 55.803 0.033 0.000 0.936 91 Q CB 0.383 29.145 28.738 0.038 0.000 1.105 91 Q HN 0.772 nan 8.270 nan 0.000 0.520 92 Q N 1.119 120.942 119.800 0.039 0.000 2.274 92 Q HA 0.255 4.596 4.340 0.002 0.000 0.260 92 Q C -1.266 174.758 176.000 0.038 0.000 0.974 92 Q CA -0.242 55.581 55.803 0.033 0.000 0.876 92 Q CB 1.247 30.002 28.738 0.029 0.000 1.297 92 Q HN -0.177 nan 8.270 nan 0.000 0.446 93 D N 1.970 122.387 120.400 0.029 0.000 2.175 93 D HA 0.486 5.127 4.640 0.002 0.000 0.248 93 D C -0.071 176.248 176.300 0.032 0.000 1.047 93 D CA -0.040 53.978 54.000 0.030 0.000 0.883 93 D CB 1.591 42.404 40.800 0.021 0.000 1.180 93 D HN 0.709 nan 8.370 nan 0.000 0.438 94 G N 0.825 109.648 108.800 0.038 0.000 2.543 94 G HA2 0.337 4.298 3.960 0.002 0.000 0.267 94 G HA3 0.337 4.298 3.960 0.002 0.000 0.267 94 G C -1.592 173.326 174.900 0.030 0.000 1.406 94 G CA -0.559 44.562 45.100 0.036 0.000 1.048 94 G HN 0.354 nan 8.290 nan 0.000 0.548 95 P HA 0.193 nan 4.420 nan 0.000 0.252 95 P C 0.296 177.610 177.300 0.024 0.000 1.218 95 P CA -0.118 62.998 63.100 0.026 0.000 0.807 95 P CB 0.247 31.965 31.700 0.029 0.000 1.072 96 C N 1.170 120.486 119.300 0.027 0.000 2.656 96 C HA 0.541 5.002 4.460 0.002 0.000 0.391 96 C C 1.122 176.123 174.990 0.017 0.000 1.300 96 C CA 0.380 59.412 59.018 0.023 0.000 2.302 96 C CB 0.450 28.207 27.740 0.028 0.000 2.655 96 C HN 0.405 nan 8.230 nan 0.000 0.656 97 T N -1.372 113.190 114.554 0.012 0.000 2.843 97 T HA 0.404 4.755 4.350 0.002 0.000 0.302 97 T C -2.522 172.180 174.700 0.005 0.000 1.232 97 T CA -1.030 61.075 62.100 0.007 0.000 1.009 97 T CB 1.351 70.222 68.868 0.005 0.000 1.254 97 T HN 0.258 nan 8.240 nan 0.000 0.504 98 P HA 0.040 nan 4.420 nan 0.000 0.220 98 P C 1.522 178.822 177.300 -0.001 0.000 1.148 98 P CA 0.550 63.649 63.100 -0.001 0.000 0.803 98 P CB 0.131 31.828 31.700 -0.004 0.000 0.782 99 R N 0.038 120.538 120.500 -0.000 0.000 2.092 99 R HA -0.061 4.280 4.340 0.002 0.000 0.231 99 R C 0.531 176.832 176.300 0.000 0.000 1.119 99 R CA 0.970 57.069 56.100 -0.000 0.000 0.970 99 R CB 0.153 30.453 30.300 0.000 0.000 0.864 99 R HN 0.082 nan 8.270 nan 0.000 0.440 100 R N -0.177 120.324 120.500 0.002 0.000 2.594 100 R HA 0.124 4.465 4.340 0.002 0.000 0.265 100 R C -1.784 174.520 176.300 0.007 0.000 1.070 100 R CA -0.695 55.407 56.100 0.003 0.000 0.909 100 R CB 0.077 30.379 30.300 0.004 0.000 1.243 100 R HN 0.094 nan 8.270 nan 0.000 0.455 101 C N 4.108 123.412 119.300 0.006 0.000 2.369 101 C HA 0.565 5.026 4.460 0.002 0.000 0.358 101 C C 0.812 175.813 174.990 0.018 0.000 1.274 101 C CA -0.629 58.396 59.018 0.012 0.000 1.935 101 C CB -0.776 26.967 27.740 0.006 0.000 2.431 101 C HN 0.779 nan 8.230 nan 0.000 0.545 102 L N 5.726 126.965 121.223 0.026 0.000 3.066 102 L HA 0.282 4.623 4.340 0.002 0.000 0.265 102 L C 2.070 178.970 176.870 0.049 0.000 1.232 102 L CA 0.270 55.130 54.840 0.034 0.000 1.031 102 L CB -0.140 41.937 42.059 0.030 0.000 1.379 102 L HN 1.035 nan 8.230 nan 0.000 0.563 103 G N 0.518 109.349 108.800 0.052 0.000 2.462 103 G HA2 -0.288 3.673 3.960 0.002 0.000 0.220 103 G HA3 -0.288 3.673 3.960 0.002 0.000 0.220 103 G C 1.606 176.572 174.900 0.110 0.000 1.121 103 G CA 1.202 46.346 45.100 0.072 0.000 0.758 103 G HN 0.513 nan 8.290 nan 0.000 0.559 104 S N -0.530 115.235 115.700 0.108 0.000 2.607 104 S HA 0.274 4.745 4.470 0.002 0.000 0.224 104 S C 0.736 175.430 174.600 0.156 0.000 0.969 104 S CA -0.365 57.923 58.200 0.148 0.000 0.927 104 S CB -0.104 63.163 63.200 0.112 0.000 0.772 104 S HN -0.003 nan 8.310 nan 0.000 0.533 105 L N 1.944 123.239 121.223 0.121 0.000 2.426 105 L HA 0.240 4.582 4.340 0.002 0.000 0.271 105 L C 1.415 178.380 176.870 0.158 0.000 1.169 105 L CA 0.202 55.108 54.840 0.109 0.000 0.836 105 L CB 0.798 42.897 42.059 0.066 0.000 1.112 105 L HN -0.005 nan 8.230 nan 0.000 0.465 106 V N 3.116 123.128 119.914 0.162 0.000 2.302 106 V HA -0.039 4.082 4.120 0.002 0.000 0.243 106 V C 0.799 176.936 176.094 0.073 0.000 1.036 106 V CA 0.987 63.422 62.300 0.225 0.000 1.020 106 V CB -0.260 31.689 31.823 0.210 0.000 0.657 106 V HN 0.465 nan 8.190 nan 0.000 0.453 107 L N 0.131 121.337 121.223 -0.028 0.000 2.334 107 L HA 0.466 4.807 4.340 0.002 0.000 0.272 107 L C -2.442 174.423 176.870 -0.007 0.000 1.020 107 L CA -1.800 52.974 54.840 -0.109 0.000 0.812 107 L CB 0.842 42.787 42.059 -0.189 0.000 1.264 107 L HN 0.086 nan 8.230 nan 0.000 0.439 108 P HA 0.233 nan 4.420 nan 0.000 0.275 108 P C -0.149 177.158 177.300 0.011 0.000 1.228 108 P CA -0.577 62.545 63.100 0.037 0.000 0.786 108 P CB 1.117 32.856 31.700 0.065 0.000 0.927 109 R N 2.721 123.228 120.500 0.011 0.000 2.062 109 R HA -0.040 4.301 4.340 0.002 0.000 0.226 109 R C 1.582 177.882 176.300 0.000 0.000 1.125 109 R CA 1.819 57.920 56.100 0.001 0.000 0.966 109 R CB -0.216 30.087 30.300 0.004 0.000 0.861 109 R HN 0.219 nan 8.270 nan 0.000 0.433 110 K N -1.296 119.108 120.400 0.007 0.000 2.424 110 K HA 0.206 4.527 4.320 0.002 0.000 0.198 110 K C 0.770 177.376 176.600 0.011 0.000 1.190 110 K CA 0.260 56.550 56.287 0.005 0.000 0.935 110 K CB 0.137 32.640 32.500 0.005 0.000 1.087 110 K HN 0.080 nan 8.250 nan 0.000 0.524 111 L N 2.607 123.842 121.223 0.019 0.000 2.955 111 L HA 0.022 4.363 4.340 0.002 0.000 0.260 111 L C 0.993 177.883 176.870 0.033 0.000 1.146 111 L CA 0.814 55.670 54.840 0.026 0.000 0.905 111 L CB -1.574 40.505 42.059 0.033 0.000 1.136 111 L HN 0.309 nan 8.230 nan 0.000 0.438 112 Q N -0.111 119.704 119.800 0.024 0.000 2.779 112 Q HA 0.083 4.424 4.340 0.002 0.000 0.187 112 Q C 0.029 176.040 176.000 0.018 0.000 1.187 112 Q CA 0.749 56.567 55.803 0.026 0.000 1.274 112 Q CB 0.367 29.107 28.738 0.003 0.000 1.504 112 Q HN 0.212 nan 8.270 nan 0.000 0.683 113 T N 1.868 116.427 114.554 0.008 0.000 3.133 113 T HA 0.359 4.711 4.350 0.002 0.000 0.368 113 T C -0.920 173.773 174.700 -0.013 0.000 1.190 113 T CA -0.662 61.437 62.100 -0.001 0.000 1.282 113 T CB 0.424 69.294 68.868 0.004 0.000 1.042 113 T HN 0.288 nan 8.240 nan 0.000 0.536 114 R N 2.525 123.017 120.500 -0.014 0.000 2.697 114 R HA 0.161 4.502 4.340 0.002 0.000 0.265 114 R C -2.085 174.203 176.300 -0.020 0.000 1.009 114 R CA -1.292 54.798 56.100 -0.018 0.000 1.099 114 R CB -0.339 29.953 30.300 -0.014 0.000 0.965 114 R HN 0.352 nan 8.270 nan 0.000 0.428 115 P HA -0.107 nan 4.420 nan 0.000 0.272 115 P C 0.012 177.301 177.300 -0.018 0.000 1.210 115 P CA 0.478 63.566 63.100 -0.019 0.000 0.789 115 P CB 0.445 32.135 31.700 -0.017 0.000 0.849 116 S N 0.797 116.487 115.700 -0.017 0.000 2.668 116 S HA 0.251 4.722 4.470 0.002 0.000 0.244 116 S C -1.395 173.197 174.600 -0.012 0.000 1.140 116 S CA -1.102 57.087 58.200 -0.019 0.000 1.134 116 S CB -0.413 62.768 63.200 -0.031 0.000 0.954 116 S HN 0.305 nan 8.310 nan 0.000 0.490 117 P HA 0.156 nan 4.420 nan 0.000 0.222 117 P C 0.825 178.125 177.300 -0.000 0.000 1.153 117 P CA 0.621 63.720 63.100 -0.002 0.000 0.798 117 P CB -0.102 31.597 31.700 -0.000 0.000 0.796 118 G N 1.216 110.014 108.800 -0.002 0.000 2.420 118 G HA2 0.525 4.486 3.960 0.002 0.000 0.331 118 G HA3 0.525 4.486 3.960 0.002 0.000 0.331 118 G C -2.832 172.067 174.900 -0.002 0.000 1.168 118 G CA -1.551 43.549 45.100 0.000 0.000 0.936 118 G HN -0.071 nan 8.290 nan 0.000 0.479 119 P HA 0.229 nan 4.420 nan 0.000 0.271 119 P C -2.325 174.977 177.300 0.004 0.000 1.216 119 P CA -0.853 62.249 63.100 0.002 0.000 0.771 119 P CB 0.979 32.686 31.700 0.011 0.000 0.864 120 P HA 0.260 nan 4.420 nan 0.000 0.275 120 P C -2.514 174.794 177.300 0.014 0.000 1.228 120 P CA -1.634 61.469 63.100 0.005 0.000 0.786 120 P CB -0.942 30.759 31.700 0.002 0.000 0.927 121 P HA -0.069 nan 4.420 nan 0.000 0.255 121 P C 1.037 178.349 177.300 0.020 0.000 1.161 121 P CA 0.460 63.568 63.100 0.015 0.000 0.768 121 P CB -0.033 31.674 31.700 0.012 0.000 0.746 122 A N 4.692 127.525 122.820 0.022 0.000 1.940 122 A HA -0.296 4.026 4.320 0.002 0.000 0.221 122 A C 1.960 179.556 177.584 0.020 0.000 1.190 122 A CA 1.813 53.865 52.037 0.025 0.000 0.647 122 A CB -0.773 18.240 19.000 0.022 0.000 0.821 122 A HN 0.597 nan 8.150 nan 0.000 0.457 123 E N -1.454 118.755 120.200 0.016 0.000 2.072 123 E HA -0.234 4.117 4.350 0.002 0.000 0.191 123 E C 2.296 178.906 176.600 0.017 0.000 0.985 123 E CA 1.304 57.712 56.400 0.013 0.000 0.801 123 E CB -0.137 29.569 29.700 0.010 0.000 0.750 123 E HN 0.679 nan 8.360 nan 0.000 0.452 124 Q N 1.164 120.976 119.800 0.020 0.000 2.046 124 Q HA -0.148 4.193 4.340 0.002 0.000 0.200 124 Q C 2.087 178.108 176.000 0.035 0.000 0.975 124 Q CA 1.095 56.912 55.803 0.024 0.000 0.836 124 Q CB -0.377 28.373 28.738 0.020 0.000 0.896 124 Q HN 0.257 nan 8.270 nan 0.000 0.428 125 L N -0.179 121.069 121.223 0.041 0.000 2.017 125 L HA -0.080 4.261 4.340 0.002 0.000 0.208 125 L C 2.090 178.997 176.870 0.062 0.000 1.073 125 L CA 1.640 56.521 54.840 0.068 0.000 0.745 125 L CB -0.993 41.116 42.059 0.083 0.000 0.894 125 L HN 0.418 nan 8.230 nan 0.000 0.432 126 L N -0.439 120.800 121.223 0.027 0.000 2.079 126 L HA -0.194 4.148 4.340 0.002 0.000 0.210 126 L C 2.702 179.571 176.870 -0.002 0.000 1.081 126 L CA 2.201 57.033 54.840 -0.013 0.000 0.752 126 L CB -0.889 41.162 42.059 -0.013 0.000 0.896 126 L HN 0.631 nan 8.230 nan 0.000 0.433 127 S N -1.965 113.748 115.700 0.022 0.000 2.387 127 S HA -0.195 4.276 4.470 0.002 0.000 0.226 127 S C 1.889 176.526 174.600 0.062 0.000 1.026 127 S CA 0.883 59.103 58.200 0.034 0.000 0.972 127 S CB -0.578 62.640 63.200 0.030 0.000 0.814 127 S HN 0.615 nan 8.310 nan 0.000 0.477 128 Q N 1.112 120.957 119.800 0.074 0.000 2.119 128 Q HA 0.079 4.420 4.340 0.002 0.000 0.201 128 Q C 2.555 178.655 176.000 0.167 0.000 0.972 128 Q CA 1.328 57.196 55.803 0.110 0.000 0.847 128 Q CB -0.478 28.317 28.738 0.096 0.000 0.903 128 Q HN 0.763 nan 8.270 nan 0.000 0.433 129 A N 1.250 124.148 122.820 0.130 0.000 1.873 129 A HA -0.177 4.144 4.320 0.002 0.000 0.215 129 A C 1.986 179.637 177.584 0.110 0.000 1.186 129 A CA 1.152 53.255 52.037 0.109 0.000 0.616 129 A CB -0.362 18.482 19.000 -0.260 0.000 0.823 129 A HN 0.199 nan 8.150 nan 0.000 0.442 130 R N -0.378 120.150 120.500 0.047 0.000 2.083 130 R HA -0.191 4.150 4.340 0.002 0.000 0.237 130 R C 2.063 178.436 176.300 0.121 0.000 1.137 130 R CA 1.730 57.868 56.100 0.064 0.000 0.951 130 R CB -0.640 29.679 30.300 0.032 0.000 0.851 130 R HN 0.704 nan 8.270 nan 0.000 0.434 131 D N 0.324 120.802 120.400 0.130 0.000 2.106 131 D HA -0.239 4.402 4.640 0.002 0.000 0.191 131 D C 1.690 178.105 176.300 0.190 0.000 0.997 131 D CA 1.348 55.436 54.000 0.145 0.000 0.834 131 D CB -0.158 40.726 40.800 0.141 0.000 0.956 131 D HN 0.161 nan 8.370 nan 0.000 0.448 132 F N 0.821 120.855 119.950 0.139 0.000 2.134 132 F HA -0.105 4.423 4.527 0.002 0.000 0.299 132 F C 2.007 177.938 175.800 0.217 0.000 1.097 132 F CA 1.104 59.219 58.000 0.192 0.000 1.264 132 F CB -0.281 38.839 39.000 0.200 0.000 1.001 132 F HN 0.021 nan 8.300 nan 0.000 0.479 133 I N 0.903 121.471 120.570 -0.004 0.000 2.264 133 I HA -0.308 3.863 4.170 0.002 0.000 0.248 133 I C 1.973 178.089 176.117 -0.001 0.000 1.111 133 I CA 1.197 62.485 61.300 -0.019 0.000 1.382 133 I CB -1.549 36.553 38.000 0.170 0.000 1.060 133 I HN 0.270 nan 8.210 nan 0.000 0.418 134 N N 0.828 119.559 118.700 0.052 0.000 2.142 134 N HA -0.170 4.571 4.740 0.002 0.000 0.186 134 N C 1.850 177.295 175.510 -0.108 0.000 1.023 134 N CA 1.029 54.100 53.050 0.035 0.000 0.852 134 N CB -0.266 38.293 38.487 0.119 0.000 0.998 134 N HN 0.504 nan 8.380 nan 0.000 0.424 135 Q N -0.364 119.377 119.800 -0.097 0.000 2.084 135 Q HA -0.183 4.158 4.340 0.002 0.000 0.202 135 Q C 1.819 177.550 176.000 -0.449 0.000 0.978 135 Q CA 1.310 57.054 55.803 -0.097 0.000 0.844 135 Q CB -0.236 28.595 28.738 0.155 0.000 0.898 135 Q HN 0.440 nan 8.270 nan 0.000 0.426 136 Y N 0.020 119.826 120.300 -0.823 0.000 2.089 136 Y HA -0.311 4.240 4.550 0.002 0.000 0.282 136 Y C 1.785 177.128 175.900 -0.928 0.000 1.139 136 Y CA 1.732 59.085 58.100 -1.244 0.000 1.123 136 Y CB -0.607 37.237 38.460 -1.027 0.000 0.980 136 Y HN 0.086 nan 8.280 nan 0.000 0.493 137 Y N -0.642 119.226 120.300 -0.720 0.000 2.274 137 Y HA -0.233 4.318 4.550 0.002 0.000 0.290 137 Y C 3.078 178.636 175.900 -0.570 0.000 1.145 137 Y CA 1.806 59.478 58.100 -0.714 0.000 1.203 137 Y CB -0.702 37.276 38.460 -0.804 0.000 0.984 137 Y HN 0.232 nan 8.280 nan 0.000 0.533 138 S N -0.714 114.766 115.700 -0.367 0.000 2.402 138 S HA -0.197 4.274 4.470 0.002 0.000 0.229 138 S C 2.380 176.805 174.600 -0.291 0.000 1.021 138 S CA 1.289 59.346 58.200 -0.239 0.000 0.974 138 S CB -0.623 62.488 63.200 -0.147 0.000 0.800 138 S HN 0.595 nan 8.310 nan 0.000 0.484 139 S N 2.196 117.608 115.700 -0.480 0.000 2.368 139 S HA -0.086 4.385 4.470 0.002 0.000 0.225 139 S C 1.698 176.064 174.600 -0.390 0.000 1.030 139 S CA 1.231 59.175 58.200 -0.427 0.000 0.999 139 S CB -0.952 61.804 63.200 -0.740 0.000 0.844 139 S HN 0.784 nan 8.310 nan 0.000 0.459 140 I N -1.884 118.345 120.570 -0.568 0.000 3.810 140 I HA 0.393 4.565 4.170 0.002 0.000 0.322 140 I C -0.140 175.829 176.117 -0.248 0.000 1.288 140 I CA -0.506 60.545 61.300 -0.415 0.000 1.143 140 I CB -0.778 36.886 38.000 -0.561 0.000 1.012 140 I HN 0.051 nan 8.210 nan 0.000 0.423 141 K N 2.143 122.420 120.400 -0.205 0.000 3.419 141 K HA -0.166 4.155 4.320 0.002 0.000 0.272 141 K C -0.188 176.368 176.600 -0.072 0.000 0.973 141 K CA 0.558 56.777 56.287 -0.114 0.000 0.749 141 K CB -1.338 31.112 32.500 -0.083 0.000 1.403 141 K HN 0.627 nan 8.250 nan 0.000 0.456 142 R N -0.137 120.331 120.500 -0.052 0.000 2.569 142 R HA 0.102 4.443 4.340 0.002 0.000 0.429 142 R C -0.664 175.681 176.300 0.075 0.000 0.994 142 R CA -0.327 55.794 56.100 0.034 0.000 1.089 142 R CB 1.071 31.431 30.300 0.101 0.000 1.420 142 R HN 0.076 nan 8.270 nan 0.000 0.615 143 S N -0.337 115.388 115.700 0.041 0.000 2.584 143 S HA 0.262 4.733 4.470 0.002 0.000 0.270 143 S C 1.450 176.154 174.600 0.172 0.000 1.346 143 S CA 0.835 59.118 58.200 0.139 0.000 1.018 143 S CB 1.116 64.366 63.200 0.083 0.000 0.899 143 S HN 0.680 nan 8.310 nan 0.000 0.542 144 G N 1.244 110.201 108.800 0.262 0.000 2.216 144 G HA2 -0.350 3.611 3.960 0.002 0.000 0.269 144 G HA3 -0.350 3.611 3.960 0.002 0.000 0.269 144 G C 0.435 175.321 174.900 -0.024 0.000 0.981 144 G CA 0.868 45.971 45.100 0.004 0.000 0.658 144 G HN 1.187 nan 8.290 nan 0.000 0.539 145 S N -1.020 114.690 115.700 0.017 0.000 2.598 145 S HA 0.296 4.768 4.470 0.002 0.000 0.256 145 S C 1.383 175.947 174.600 -0.060 0.000 1.350 145 S CA 0.857 59.049 58.200 -0.013 0.000 0.984 145 S CB 0.957 64.167 63.200 0.017 0.000 0.930 145 S HN 0.622 nan 8.310 nan 0.000 0.577 146 Q N 0.677 120.450 119.800 -0.043 0.000 2.016 146 Q HA -0.062 4.279 4.340 0.002 0.000 0.200 146 Q C 2.353 178.308 176.000 -0.075 0.000 0.978 146 Q CA 1.480 57.251 55.803 -0.053 0.000 0.833 146 Q CB -0.906 27.818 28.738 -0.025 0.000 0.895 146 Q HN 0.924 nan 8.270 nan 0.000 0.427 147 A N 0.377 123.167 122.820 -0.050 0.000 1.917 147 A HA -0.302 4.019 4.320 0.002 0.000 0.219 147 A C 1.924 179.337 177.584 -0.284 0.000 1.182 147 A CA 1.952 53.962 52.037 -0.044 0.000 0.633 147 A CB -1.282 17.795 19.000 0.128 0.000 0.819 147 A HN 0.751 nan 8.150 nan 0.000 0.448 148 H N -0.848 117.763 119.070 -0.764 0.000 2.319 148 H HA -0.144 4.413 4.556 0.002 0.000 0.299 148 H C 2.031 177.062 175.328 -0.494 0.000 1.092 148 H CA 1.313 56.667 56.048 -1.157 0.000 1.302 148 H CB 0.140 29.393 29.762 -0.849 0.000 1.373 148 H HN 0.442 nan 8.280 nan 0.000 0.497 149 E N 0.843 120.867 120.200 -0.293 0.000 2.051 149 E HA -0.161 4.190 4.350 0.002 0.000 0.192 149 E C 2.159 178.675 176.600 -0.140 0.000 0.991 149 E CA 1.019 57.269 56.400 -0.250 0.000 0.799 149 E CB -0.296 29.290 29.700 -0.189 0.000 0.748 149 E HN 0.667 nan 8.360 nan 0.000 0.449 150 E N 0.368 120.509 120.200 -0.098 0.000 2.153 150 E HA -0.202 4.149 4.350 0.002 0.000 0.194 150 E C 2.149 178.743 176.600 -0.010 0.000 0.988 150 E CA 0.939 57.314 56.400 -0.042 0.000 0.811 150 E CB -0.020 29.670 29.700 -0.018 0.000 0.746 150 E HN -0.080 nan 8.360 nan 0.000 0.466 151 R N 1.049 121.547 120.500 -0.004 0.000 2.090 151 R HA -0.044 4.298 4.340 0.002 0.000 0.228 151 R C 1.983 178.316 176.300 0.055 0.000 1.110 151 R CA 1.045 57.191 56.100 0.078 0.000 0.973 151 R CB -0.489 29.933 30.300 0.204 0.000 0.869 151 R HN 0.153 nan 8.270 nan 0.000 0.440 152 L N 0.371 121.601 121.223 0.011 0.000 2.131 152 L HA -0.170 4.171 4.340 0.002 0.000 0.210 152 L C 2.407 179.256 176.870 -0.034 0.000 1.092 152 L CA 1.529 56.360 54.840 -0.015 0.000 0.759 152 L CB -0.363 41.652 42.059 -0.072 0.000 0.903 152 L HN 0.316 nan 8.230 nan 0.000 0.435 153 Q N -0.411 119.369 119.800 -0.033 0.000 2.123 153 Q HA -0.184 4.157 4.340 0.002 0.000 0.199 153 Q C 2.005 178.002 176.000 -0.005 0.000 0.966 153 Q CA 1.118 56.906 55.803 -0.025 0.000 0.845 153 Q CB -0.071 28.651 28.738 -0.026 0.000 0.907 153 Q HN 0.559 nan 8.270 nan 0.000 0.439 154 E N 0.362 120.571 120.200 0.014 0.000 2.051 154 E HA -0.164 4.187 4.350 0.002 0.000 0.192 154 E C 2.164 178.786 176.600 0.037 0.000 0.991 154 E CA 1.436 57.859 56.400 0.039 0.000 0.799 154 E CB -0.001 29.740 29.700 0.068 0.000 0.748 154 E HN 0.125 nan 8.360 nan 0.000 0.449 155 V N 1.980 121.892 119.914 -0.003 0.000 2.295 155 V HA -0.250 3.872 4.120 0.002 0.000 0.246 155 V C 2.242 178.282 176.094 -0.090 0.000 1.049 155 V CA 1.740 63.977 62.300 -0.105 0.000 1.024 155 V CB -0.547 31.118 31.823 -0.263 0.000 0.648 155 V HN 0.216 nan 8.190 nan 0.000 0.447 156 E N 0.619 120.780 120.200 -0.065 0.000 2.033 156 E HA -0.287 4.065 4.350 0.002 0.000 0.199 156 E C 2.407 179.002 176.600 -0.007 0.000 1.011 156 E CA 1.750 58.126 56.400 -0.040 0.000 0.815 156 E CB -0.602 29.079 29.700 -0.032 0.000 0.755 156 E HN 0.572 nan 8.360 nan 0.000 0.451 157 A N 1.380 124.203 122.820 0.005 0.000 1.892 157 A HA -0.275 4.046 4.320 0.002 0.000 0.218 157 A C 2.129 179.740 177.584 0.044 0.000 1.188 157 A CA 2.026 54.077 52.037 0.023 0.000 0.631 157 A CB -0.640 18.374 19.000 0.024 0.000 0.822 157 A HN 0.301 nan 8.150 nan 0.000 0.447 158 E N -0.596 119.645 120.200 0.068 0.000 2.077 158 E HA -0.118 4.234 4.350 0.002 0.000 0.193 158 E C 1.963 178.633 176.600 0.117 0.000 0.989 158 E CA 1.297 57.765 56.400 0.114 0.000 0.800 158 E CB -0.105 29.709 29.700 0.191 0.000 0.746 158 E HN 0.366 nan 8.360 nan 0.000 0.452 159 V N 1.035 121.005 119.914 0.095 0.000 2.295 159 V HA -0.263 3.858 4.120 0.002 0.000 0.246 159 V C 2.391 178.520 176.094 0.059 0.000 1.049 159 V CA 1.817 64.170 62.300 0.088 0.000 1.024 159 V CB -0.797 31.053 31.823 0.045 0.000 0.648 159 V HN 0.398 nan 8.190 nan 0.000 0.447 160 A N -0.341 122.502 122.820 0.038 0.000 1.978 160 A HA -0.202 4.119 4.320 0.002 0.000 0.220 160 A C 2.407 180.012 177.584 0.034 0.000 1.170 160 A CA 2.409 54.464 52.037 0.029 0.000 0.636 160 A CB -0.499 18.512 19.000 0.019 0.000 0.810 160 A HN 0.542 nan 8.150 nan 0.000 0.448 161 S N -1.500 114.226 115.700 0.043 0.000 2.470 161 S HA -0.014 4.457 4.470 0.002 0.000 0.222 161 S C 1.789 176.419 174.600 0.050 0.000 1.024 161 S CA 1.330 59.556 58.200 0.043 0.000 0.931 161 S CB 0.055 63.281 63.200 0.042 0.000 0.791 161 S HN 0.885 nan 8.310 nan 0.000 0.513 162 T N -2.778 111.815 114.554 0.066 0.000 2.975 162 T HA 0.472 4.823 4.350 0.002 0.000 0.261 162 T C 1.365 176.106 174.700 0.068 0.000 0.984 162 T CA 0.728 62.871 62.100 0.072 0.000 0.911 162 T CB 0.538 69.465 68.868 0.098 0.000 1.127 162 T HN 0.503 nan 8.240 nan 0.000 0.514 163 G N 0.302 109.143 108.800 0.068 0.000 2.159 163 G HA2 -0.136 3.825 3.960 0.002 0.000 0.256 163 G HA3 -0.136 3.825 3.960 0.002 0.000 0.256 163 G C 0.149 175.091 174.900 0.071 0.000 0.977 163 G CA 0.556 45.691 45.100 0.059 0.000 0.652 163 G HN 1.094 nan 8.290 nan 0.000 0.531 164 T N -1.658 112.960 114.554 0.108 0.000 2.658 164 T HA 0.666 5.017 4.350 0.002 0.000 0.305 164 T C -1.242 173.604 174.700 0.244 0.000 1.551 164 T CA 0.452 62.626 62.100 0.123 0.000 0.985 164 T CB 1.141 69.999 68.868 -0.018 0.000 1.731 164 T HN 1.639 nan 8.240 nan 0.000 0.486 165 Y N -0.802 119.480 120.300 -0.030 0.000 2.806 165 Y HA 0.856 5.407 4.550 0.002 0.000 0.329 165 Y C -1.535 174.315 175.900 -0.084 0.000 1.327 165 Y CA -1.187 56.960 58.100 0.078 0.000 1.071 165 Y CB 0.808 39.319 38.460 0.085 0.000 1.346 165 Y HN 0.780 nan 8.280 nan 0.000 0.452 166 H N 0.281 119.340 119.070 -0.018 0.000 2.797 166 H HA 0.701 5.258 4.556 0.002 0.000 0.372 166 H C -1.144 174.210 175.328 0.045 0.000 1.168 166 H CA -0.878 55.108 56.048 -0.103 0.000 1.163 166 H CB 2.001 31.762 29.762 -0.002 0.000 1.778 166 H HN 0.717 nan 8.280 nan 0.000 0.551 167 L N 1.479 122.774 121.223 0.120 0.000 2.352 167 L HA 0.556 4.897 4.340 0.002 0.000 0.269 167 L C 0.247 177.190 176.870 0.121 0.000 1.034 167 L CA -0.895 54.043 54.840 0.163 0.000 0.806 167 L CB 1.001 43.132 42.059 0.120 0.000 1.244 167 L HN 0.382 nan 8.230 nan 0.000 0.447 168 R N 0.894 121.441 120.500 0.078 0.000 2.428 168 R HA 0.124 4.466 4.340 0.002 0.000 0.294 168 R C 0.680 176.971 176.300 -0.016 0.000 1.000 168 R CA -0.535 55.581 56.100 0.027 0.000 0.960 168 R CB 1.631 31.934 30.300 0.005 0.000 1.076 168 R HN 0.678 nan 8.270 nan 0.000 0.475 169 E N 1.866 122.059 120.200 -0.011 0.000 2.149 169 E HA -0.356 3.995 4.350 0.002 0.000 0.215 169 E C 1.500 178.082 176.600 -0.030 0.000 1.055 169 E CA 2.956 59.340 56.400 -0.026 0.000 0.870 169 E CB 0.023 29.714 29.700 -0.015 0.000 0.764 169 E HN 0.707 nan 8.360 nan 0.000 0.463 170 S N -0.041 115.638 115.700 -0.034 0.000 2.383 170 S HA -0.240 4.231 4.470 0.002 0.000 0.229 170 S C 1.791 176.364 174.600 -0.045 0.000 1.030 170 S CA 1.522 59.720 58.200 -0.005 0.000 1.002 170 S CB -0.443 62.770 63.200 0.021 0.000 0.829 170 S HN 0.438 nan 8.310 nan 0.000 0.467 171 E N 0.994 121.044 120.200 -0.250 0.000 2.072 171 E HA -0.017 4.335 4.350 0.002 0.000 0.190 171 E C 2.088 178.810 176.600 0.203 0.000 0.982 171 E CA 0.979 57.252 56.400 -0.212 0.000 0.803 171 E CB -0.360 29.220 29.700 -0.200 0.000 0.755 171 E HN 0.447 nan 8.360 nan 0.000 0.453 172 L N 1.173 122.425 121.223 0.048 0.000 1.989 172 L HA -0.181 4.160 4.340 0.002 0.000 0.211 172 L C 2.273 179.126 176.870 -0.028 0.000 1.071 172 L CA 1.481 56.287 54.840 -0.057 0.000 0.749 172 L CB -0.411 41.559 42.059 -0.148 0.000 0.890 172 L HN -0.064 nan 8.230 nan 0.000 0.431 173 V N -0.333 119.589 119.914 0.015 0.000 2.332 173 V HA -0.330 3.791 4.120 0.002 0.000 0.248 173 V C 2.358 178.533 176.094 0.135 0.000 1.055 173 V CA 2.226 64.549 62.300 0.038 0.000 1.038 173 V CB -1.062 30.789 31.823 0.047 0.000 0.651 173 V HN 0.596 nan 8.190 nan 0.000 0.450 174 F N 1.972 122.007 119.950 0.142 0.000 2.186 174 F HA 0.028 4.557 4.527 0.002 0.000 0.299 174 F C 2.120 178.073 175.800 0.255 0.000 1.090 174 F CA 1.453 59.595 58.000 0.236 0.000 1.307 174 F CB -0.864 38.355 39.000 0.366 0.000 1.019 174 F HN 0.108 nan 8.300 nan 0.000 0.489 175 G N 0.124 108.985 108.800 0.102 0.000 2.453 175 G HA2 -0.246 3.715 3.960 0.002 0.000 0.215 175 G HA3 -0.246 3.715 3.960 0.002 0.000 0.215 175 G C 1.894 176.650 174.900 -0.241 0.000 1.201 175 G CA 1.129 46.170 45.100 -0.098 0.000 0.784 175 G HN 0.625 nan 8.290 nan 0.000 0.545 176 A N 1.095 123.802 122.820 -0.188 0.000 1.884 176 A HA -0.165 4.156 4.320 0.002 0.000 0.219 176 A C 2.310 179.889 177.584 -0.008 0.000 1.197 176 A CA 2.343 54.292 52.037 -0.147 0.000 0.637 176 A CB -0.531 18.416 19.000 -0.088 0.000 0.827 176 A HN 0.419 nan 8.150 nan 0.000 0.450 177 K N -0.949 119.484 120.400 0.056 0.000 2.103 177 K HA -0.164 4.157 4.320 0.002 0.000 0.207 177 K C 2.274 178.944 176.600 0.116 0.000 1.048 177 K CA 1.384 57.815 56.287 0.240 0.000 0.930 177 K CB -0.165 32.520 32.500 0.308 0.000 0.716 177 K HN 0.463 nan 8.250 nan 0.000 0.444 178 Q N 0.161 119.847 119.800 -0.191 0.000 2.119 178 Q HA -0.049 4.292 4.340 0.002 0.000 0.201 178 Q C 2.239 178.093 176.000 -0.242 0.000 0.972 178 Q CA 1.346 56.940 55.803 -0.349 0.000 0.847 178 Q CB -0.224 28.219 28.738 -0.491 0.000 0.903 178 Q HN 0.332 nan 8.270 nan 0.000 0.433 179 A N 0.307 122.989 122.820 -0.230 0.000 1.908 179 A HA -0.191 4.130 4.320 0.002 0.000 0.218 179 A C 1.805 179.418 177.584 0.049 0.000 1.181 179 A CA 1.432 53.279 52.037 -0.317 0.000 0.627 179 A CB -0.908 17.573 19.000 -0.864 0.000 0.818 179 A HN 0.530 nan 8.150 nan 0.000 0.445 180 W N 0.800 122.119 121.300 0.032 0.000 2.407 180 W HA -0.070 4.591 4.660 0.002 0.000 0.305 180 W C 2.321 178.801 176.519 -0.065 0.000 1.196 180 W CA 1.348 58.744 57.345 0.085 0.000 1.311 180 W CB -0.663 28.836 29.460 0.065 0.000 1.135 180 W HN 0.359 nan 8.180 nan 0.000 0.514 181 R N 0.372 120.768 120.500 -0.173 0.000 2.127 181 R HA -0.177 4.164 4.340 0.002 0.000 0.238 181 R C 1.429 177.553 176.300 -0.294 0.000 1.134 181 R CA 1.782 57.561 56.100 -0.535 0.000 0.975 181 R CB -0.491 29.155 30.300 -1.091 0.000 0.865 181 R HN 0.120 nan 8.270 nan 0.000 0.447 182 N N 0.224 118.814 118.700 -0.183 0.000 2.353 182 N HA 0.030 4.771 4.740 0.002 0.000 0.185 182 N C -0.326 175.136 175.510 -0.080 0.000 1.098 182 N CA 0.522 53.493 53.050 -0.133 0.000 0.872 182 N CB 0.552 38.964 38.487 -0.125 0.000 0.970 182 N HN 0.137 nan 8.380 nan 0.000 0.467 183 A N 2.413 125.232 122.820 -0.001 0.000 2.496 183 A HA 0.177 4.498 4.320 0.002 0.000 0.278 183 A C -1.201 176.355 177.584 -0.046 0.000 1.137 183 A CA -0.803 51.237 52.037 0.005 0.000 0.805 183 A CB 0.229 19.286 19.000 0.095 0.000 1.077 183 A HN 0.019 nan 8.150 nan 0.000 0.513 184 P HA -0.125 nan 4.420 nan 0.000 0.218 184 P C 1.138 178.371 177.300 -0.112 0.000 1.149 184 P CA 1.173 64.201 63.100 -0.120 0.000 0.817 184 P CB 0.143 31.738 31.700 -0.176 0.000 0.785 185 R N -2.123 118.269 120.500 -0.180 0.000 2.310 185 R HA 0.120 4.461 4.340 0.002 0.000 0.202 185 R C 0.367 176.658 176.300 -0.016 0.000 0.933 185 R CA -0.092 55.925 56.100 -0.139 0.000 1.054 185 R CB -0.547 29.470 30.300 -0.472 0.000 0.985 185 R HN 0.186 nan 8.270 nan 0.000 0.489 186 C N 0.394 119.667 119.300 -0.046 0.000 2.325 186 C HA 0.209 4.670 4.460 0.002 0.000 0.347 186 C C 1.861 176.753 174.990 -0.164 0.000 1.263 186 C CA -0.640 58.368 59.018 -0.016 0.000 1.806 186 C CB 0.683 28.494 27.740 0.118 0.000 2.405 186 C HN 0.276 nan 8.230 nan 0.000 0.537 187 V N 5.878 125.658 119.914 -0.223 0.000 3.406 187 V HA 0.221 4.343 4.120 0.002 0.000 0.263 187 V C 1.780 177.825 176.094 -0.081 0.000 1.172 187 V CA 1.955 63.993 62.300 -0.436 0.000 1.140 187 V CB 0.002 31.633 31.823 -0.320 0.000 0.784 187 V HN 1.070 nan 8.190 nan 0.000 0.467 188 G N -0.645 108.168 108.800 0.022 0.000 3.314 188 G HA2 0.037 3.998 3.960 0.002 0.000 0.238 188 G HA3 0.037 3.998 3.960 0.002 0.000 0.238 188 G C 1.217 176.142 174.900 0.042 0.000 1.184 188 G CA -0.339 44.808 45.100 0.078 0.000 0.806 188 G HN 0.419 nan 8.290 nan 0.000 0.536 189 R N -0.184 120.256 120.500 -0.100 0.000 2.377 189 R HA 0.101 4.442 4.340 0.002 0.000 0.207 189 R C 1.939 177.830 176.300 -0.682 0.000 1.075 189 R CA 0.179 55.941 56.100 -0.563 0.000 1.035 189 R CB -0.150 29.815 30.300 -0.558 0.000 0.857 189 R HN 0.460 nan 8.270 nan 0.000 0.475 190 I N 0.703 121.049 120.570 -0.373 0.000 2.614 190 I HA -0.221 3.950 4.170 0.002 0.000 0.258 190 I C 1.331 177.366 176.117 -0.137 0.000 1.189 190 I CA 1.176 62.398 61.300 -0.131 0.000 1.462 190 I CB 0.182 38.212 38.000 0.049 0.000 1.092 190 I HN 0.191 nan 8.210 nan 0.000 0.442 191 Q N 0.586 120.252 119.800 -0.223 0.000 2.403 191 Q HA -0.107 4.234 4.340 0.002 0.000 0.203 191 Q C 1.650 177.302 176.000 -0.580 0.000 0.932 191 Q CA 0.406 56.083 55.803 -0.211 0.000 0.945 191 Q CB -0.197 28.567 28.738 0.043 0.000 1.045 191 Q HN 0.781 nan 8.270 nan 0.000 0.511 192 W N 0.260 120.893 121.300 -1.112 0.000 2.313 192 W HA -0.174 4.487 4.660 0.002 0.000 0.293 192 W C 1.194 177.437 176.519 -0.460 0.000 1.216 192 W CA 1.264 57.800 57.345 -1.347 0.000 1.223 192 W CB -1.272 27.574 29.460 -1.024 0.000 1.138 192 W HN 0.076 nan 8.180 nan 0.000 0.535 193 G N 1.271 109.396 108.800 -1.125 0.000 2.484 193 G HA2 -0.155 3.806 3.960 0.002 0.000 0.218 193 G HA3 -0.155 3.806 3.960 0.002 0.000 0.218 193 G C 0.910 175.601 174.900 -0.348 0.000 1.130 193 G CA 0.050 44.570 45.100 -0.967 0.000 0.784 193 G HN 0.252 nan 8.290 nan 0.000 0.543 194 K N 0.365 120.661 120.400 -0.173 0.000 2.403 194 K HA 0.405 4.726 4.320 0.002 0.000 0.235 194 K C -1.357 175.338 176.600 0.158 0.000 1.142 194 K CA -0.496 55.793 56.287 0.003 0.000 1.114 194 K CB 1.035 33.560 32.500 0.041 0.000 1.777 194 K HN 0.102 nan 8.250 nan 0.000 0.424 195 L N 1.647 122.958 121.223 0.147 0.000 2.356 195 L HA 0.292 4.633 4.340 0.002 0.000 0.277 195 L C -0.815 176.051 176.870 -0.006 0.000 0.996 195 L CA -0.573 54.368 54.840 0.169 0.000 0.822 195 L CB 1.678 43.917 42.059 0.301 0.000 1.256 195 L HN 0.241 nan 8.230 nan 0.000 0.413 196 Q N 3.404 123.145 119.800 -0.099 0.000 2.295 196 Q HA 0.457 4.798 4.340 0.002 0.000 0.259 196 Q C -1.506 174.166 176.000 -0.546 0.000 0.976 196 Q CA -0.007 55.573 55.803 -0.373 0.000 0.923 196 Q CB 1.089 29.511 28.738 -0.527 0.000 1.185 196 Q HN 0.545 nan 8.270 nan 0.000 0.410 197 V N 6.466 126.071 119.914 -0.514 0.000 2.328 197 V HA 0.381 4.502 4.120 0.002 0.000 0.278 197 V C -0.773 175.027 176.094 -0.490 0.000 1.021 197 V CA -0.552 61.501 62.300 -0.411 0.000 0.838 197 V CB 0.265 31.965 31.823 -0.205 0.000 0.999 197 V HN 0.636 nan 8.190 nan 0.000 0.447 198 F N 2.734 122.572 119.950 -0.187 0.000 2.391 198 F HA 0.371 4.899 4.527 0.002 0.000 0.359 198 F C 0.565 176.226 175.800 -0.231 0.000 1.122 198 F CA -1.003 56.885 58.000 -0.186 0.000 1.120 198 F CB 0.903 39.804 39.000 -0.165 0.000 1.142 198 F HN 0.408 nan 8.300 nan 0.000 0.483 199 D N 3.130 123.519 120.400 -0.020 0.000 2.336 199 D HA 0.379 5.020 4.640 0.002 0.000 0.249 199 D C 0.096 176.265 176.300 -0.218 0.000 1.213 199 D CA 0.082 54.004 54.000 -0.131 0.000 0.870 199 D CB 1.160 41.916 40.800 -0.073 0.000 1.076 199 D HN 0.620 nan 8.370 nan 0.000 0.483 200 A N 4.614 127.137 122.820 -0.495 0.000 2.637 200 A HA 0.169 4.490 4.320 0.002 0.000 0.293 200 A C 1.621 178.857 177.584 -0.581 0.000 1.216 200 A CA -0.388 51.067 52.037 -0.971 0.000 0.956 200 A CB 0.055 17.987 19.000 -1.780 0.000 1.174 200 A HN 0.554 nan 8.150 nan 0.000 0.525 201 R N 0.087 120.417 120.500 -0.282 0.000 2.235 201 R HA -0.075 4.266 4.340 0.002 0.000 0.213 201 R C 0.192 176.447 176.300 -0.076 0.000 1.059 201 R CA 1.004 57.020 56.100 -0.141 0.000 0.997 201 R CB 0.018 30.298 30.300 -0.034 0.000 0.884 201 R HN 0.453 nan 8.270 nan 0.000 0.462 202 D N 0.447 120.828 120.400 -0.032 0.000 2.994 202 D HA 0.020 4.661 4.640 0.002 0.000 0.240 202 D C -1.341 175.049 176.300 0.151 0.000 1.195 202 D CA -0.143 53.901 54.000 0.072 0.000 0.957 202 D CB -0.206 40.661 40.800 0.112 0.000 1.105 202 D HN 0.036 nan 8.370 nan 0.000 0.477 203 C N 1.142 120.499 119.300 0.094 0.000 2.547 203 C HA 0.690 5.151 4.460 0.002 0.000 0.313 203 C C 0.658 175.791 174.990 0.238 0.000 1.191 203 C CA -0.286 58.855 59.018 0.204 0.000 1.474 203 C CB 0.926 28.763 27.740 0.161 0.000 2.081 203 C HN 0.491 nan 8.230 nan 0.000 0.476 204 S N 1.966 117.851 115.700 0.308 0.000 3.009 204 S HA 0.412 4.884 4.470 0.002 0.000 0.254 204 S C -0.281 174.482 174.600 0.272 0.000 1.004 204 S CA 0.233 58.636 58.200 0.339 0.000 1.119 204 S CB -0.331 62.998 63.200 0.215 0.000 1.075 204 S HN 1.638 nan 8.310 nan 0.000 0.618 205 S N -0.365 115.505 115.700 0.283 0.000 2.543 205 S HA 0.760 5.231 4.470 0.002 0.000 0.274 205 S C 0.817 175.507 174.600 0.150 0.000 1.149 205 S CA -0.318 57.984 58.200 0.170 0.000 0.866 205 S CB 0.905 64.187 63.200 0.137 0.000 1.111 205 S HN 0.729 nan 8.310 nan 0.000 0.457 206 A N 1.370 124.245 122.820 0.092 0.000 1.948 206 A HA -0.175 4.146 4.320 0.002 0.000 0.220 206 A C 2.084 179.625 177.584 -0.072 0.000 1.177 206 A CA 2.143 54.202 52.037 0.037 0.000 0.636 206 A CB -1.066 18.022 19.000 0.147 0.000 0.815 206 A HN 0.954 nan 8.150 nan 0.000 0.449 207 Q N -0.614 119.258 119.800 0.119 0.000 2.167 207 Q HA -0.190 4.151 4.340 0.002 0.000 0.202 207 Q C 1.867 177.906 176.000 0.065 0.000 0.970 207 Q CA 1.623 57.496 55.803 0.117 0.000 0.855 207 Q CB -0.111 28.779 28.738 0.254 0.000 0.911 207 Q HN 0.795 nan 8.270 nan 0.000 0.438 208 E N -0.153 120.113 120.200 0.110 0.000 2.107 208 E HA -0.147 4.204 4.350 0.002 0.000 0.191 208 E C 2.045 178.797 176.600 0.254 0.000 0.982 208 E CA 1.122 57.618 56.400 0.160 0.000 0.809 208 E CB -0.004 29.842 29.700 0.242 0.000 0.756 208 E HN 0.442 nan 8.360 nan 0.000 0.459 209 M N -0.023 119.687 119.600 0.183 0.000 2.080 209 M HA -0.170 4.312 4.480 0.002 0.000 0.260 209 M C 2.181 178.534 176.300 0.088 0.000 1.068 209 M CA 1.451 56.830 55.300 0.130 0.000 1.109 209 M CB -0.352 32.067 32.600 -0.301 0.000 1.342 209 M HN 0.138 nan 8.290 nan 0.000 0.405 210 F N 0.918 120.669 119.950 -0.331 0.000 2.161 210 F HA -0.260 4.268 4.527 0.002 0.000 0.300 210 F C 2.216 177.922 175.800 -0.157 0.000 1.089 210 F CA 1.794 59.548 58.000 -0.410 0.000 1.282 210 F CB -0.147 38.308 39.000 -0.908 0.000 1.010 210 F HN 0.058 nan 8.300 nan 0.000 0.485 211 T N -0.516 113.917 114.554 -0.202 0.000 2.737 211 T HA -0.202 4.149 4.350 0.002 0.000 0.265 211 T C 1.543 176.084 174.700 -0.264 0.000 1.038 211 T CA 1.719 63.644 62.100 -0.292 0.000 1.144 211 T CB -0.757 67.984 68.868 -0.211 0.000 0.866 211 T HN 0.335 nan 8.240 nan 0.000 0.434 212 Y N 1.196 121.447 120.300 -0.082 0.000 2.081 212 Y HA -0.135 4.416 4.550 0.002 0.000 0.280 212 Y C 2.364 178.207 175.900 -0.095 0.000 1.163 212 Y CA 1.138 59.198 58.100 -0.067 0.000 1.135 212 Y CB -0.415 38.110 38.460 0.108 0.000 0.970 212 Y HN 0.142 nan 8.280 nan 0.000 0.498 213 I N -1.412 119.240 120.570 0.136 0.000 2.264 213 I HA -0.379 3.792 4.170 0.002 0.000 0.248 213 I C 2.236 178.280 176.117 -0.122 0.000 1.111 213 I CA 1.013 62.324 61.300 0.018 0.000 1.382 213 I CB -0.508 37.487 38.000 -0.009 0.000 1.060 213 I HN 0.370 nan 8.210 nan 0.000 0.418 214 C N 0.616 119.730 119.300 -0.309 0.000 2.432 214 C HA -0.079 4.382 4.460 0.002 0.000 0.280 214 C C 2.548 177.433 174.990 -0.174 0.000 1.353 214 C CA 0.612 59.440 59.018 -0.316 0.000 1.766 214 C CB -1.337 26.090 27.740 -0.522 0.000 1.924 214 C HN 0.545 nan 8.230 nan 0.000 0.509 215 N N -0.042 118.546 118.700 -0.187 0.000 2.250 215 N HA -0.099 4.643 4.740 0.002 0.000 0.181 215 N C 1.448 176.861 175.510 -0.162 0.000 1.017 215 N CA 1.147 54.077 53.050 -0.200 0.000 0.866 215 N CB -0.680 37.615 38.487 -0.319 0.000 0.985 215 N HN 0.738 nan 8.380 nan 0.000 0.429 216 H N 1.033 119.953 119.070 -0.249 0.000 2.293 216 H HA 0.060 4.617 4.556 0.002 0.000 0.300 216 H C 2.112 177.483 175.328 0.071 0.000 1.082 216 H CA 1.611 57.602 56.048 -0.095 0.000 1.308 216 H CB -0.065 29.687 29.762 -0.017 0.000 1.375 216 H HN 0.060 nan 8.280 nan 0.000 0.495 217 I N 0.589 121.320 120.570 0.268 0.000 2.264 217 I HA -0.271 3.900 4.170 0.002 0.000 0.248 217 I C 2.417 178.611 176.117 0.128 0.000 1.111 217 I CA 1.392 62.806 61.300 0.190 0.000 1.382 217 I CB -0.282 37.752 38.000 0.056 0.000 1.060 217 I HN 0.337 nan 8.210 nan 0.000 0.418 218 K N 0.006 120.451 120.400 0.075 0.000 2.001 218 K HA -0.222 4.099 4.320 0.002 0.000 0.208 218 K C 2.259 178.910 176.600 0.085 0.000 1.048 218 K CA 1.709 58.028 56.287 0.054 0.000 0.932 218 K CB -0.385 32.125 32.500 0.017 0.000 0.715 218 K HN 0.217 nan 8.250 nan 0.000 0.437 219 Y N 1.418 121.731 120.300 0.022 0.000 2.114 219 Y HA -0.250 4.301 4.550 0.002 0.000 0.284 219 Y C 2.176 178.128 175.900 0.086 0.000 1.143 219 Y CA 1.540 59.685 58.100 0.075 0.000 1.135 219 Y CB -0.442 38.122 38.460 0.174 0.000 0.980 219 Y HN 0.063 nan 8.280 nan 0.000 0.499 220 A N -0.498 122.479 122.820 0.262 0.000 1.883 220 A HA -0.214 4.107 4.320 0.002 0.000 0.217 220 A C 2.224 179.868 177.584 0.099 0.000 1.186 220 A CA 2.518 54.671 52.037 0.194 0.000 0.624 220 A CB -1.414 17.744 19.000 0.263 0.000 0.822 220 A HN 0.536 nan 8.150 nan 0.000 0.444 221 T N -0.371 114.242 114.554 0.099 0.000 2.708 221 T HA -0.125 4.226 4.350 0.002 0.000 0.266 221 T C 1.011 175.721 174.700 0.016 0.000 1.037 221 T CA 1.018 63.165 62.100 0.079 0.000 1.146 221 T CB -0.557 68.358 68.868 0.079 0.000 0.865 221 T HN 0.730 nan 8.240 nan 0.000 0.435 222 N N 1.134 119.811 118.700 -0.038 0.000 2.686 222 N HA -0.273 4.468 4.740 0.002 0.000 0.261 222 N C -0.656 174.829 175.510 -0.041 0.000 1.001 222 N CA 0.165 53.168 53.050 -0.079 0.000 0.764 222 N CB -0.529 37.867 38.487 -0.152 0.000 0.898 222 N HN 0.445 nan 8.380 nan 0.000 0.544 223 R N -1.689 118.799 120.500 -0.020 0.000 3.627 223 R HA -0.262 4.079 4.340 0.002 0.000 0.281 223 R C 1.275 177.566 176.300 -0.016 0.000 1.140 223 R CA 1.092 57.183 56.100 -0.016 0.000 0.761 223 R CB -2.118 28.168 30.300 -0.024 0.000 1.181 223 R HN 0.853 nan 8.270 nan 0.000 0.472 224 G N -0.161 108.640 108.800 0.001 0.000 2.232 224 G HA2 -0.356 3.605 3.960 0.002 0.000 0.226 224 G HA3 -0.356 3.605 3.960 0.002 0.000 0.226 224 G C -0.033 174.868 174.900 0.001 0.000 0.996 224 G CA 0.145 45.250 45.100 0.007 0.000 0.626 224 G HN 0.521 nan 8.290 nan 0.000 0.509 225 N N 1.134 119.819 118.700 -0.025 0.000 3.083 225 N HA 0.448 5.189 4.740 0.002 0.000 0.260 225 N C 0.285 175.773 175.510 -0.037 0.000 1.163 225 N CA -0.759 52.258 53.050 -0.055 0.000 1.060 225 N CB -0.076 38.370 38.487 -0.068 0.000 1.345 225 N HN 0.133 nan 8.380 nan 0.000 0.515 226 L N 2.248 123.481 121.223 0.015 0.000 2.529 226 L HA 0.049 4.390 4.340 0.002 0.000 0.287 226 L C 0.622 177.606 176.870 0.190 0.000 1.241 226 L CA 1.029 55.947 54.840 0.129 0.000 0.857 226 L CB 0.176 42.402 42.059 0.278 0.000 1.113 226 L HN 0.398 nan 8.230 nan 0.000 0.504 227 R N 1.205 121.837 120.500 0.220 0.000 2.514 227 R HA 0.404 4.745 4.340 0.002 0.000 0.296 227 R C -0.726 175.748 176.300 0.290 0.000 1.012 227 R CA -0.661 55.597 56.100 0.262 0.000 0.897 227 R CB 1.536 31.866 30.300 0.051 0.000 1.184 227 R HN 0.570 nan 8.270 nan 0.000 0.440 228 S N 1.620 117.488 115.700 0.279 0.000 2.546 228 S HA 0.335 4.806 4.470 0.002 0.000 0.290 228 S C -0.044 174.600 174.600 0.074 0.000 1.290 228 S CA -0.078 58.169 58.200 0.078 0.000 1.069 228 S CB 0.917 64.107 63.200 -0.016 0.000 0.846 228 S HN 0.708 nan 8.310 nan 0.000 0.495 229 A N 2.803 125.628 122.820 0.009 0.000 2.606 229 A HA 0.851 5.172 4.320 0.002 0.000 0.293 229 A C -1.132 176.502 177.584 0.085 0.000 1.082 229 A CA -0.687 51.302 52.037 -0.081 0.000 0.685 229 A CB 1.281 20.143 19.000 -0.230 0.000 1.284 229 A HN 0.795 nan 8.150 nan 0.000 0.408 230 I N 0.152 120.773 120.570 0.085 0.000 2.827 230 I HA 0.663 4.834 4.170 0.002 0.000 0.298 230 I C -1.261 175.006 176.117 0.250 0.000 1.235 230 I CA -0.183 61.290 61.300 0.288 0.000 1.021 230 I CB 2.513 40.621 38.000 0.179 0.000 1.259 230 I HN 0.626 nan 8.210 nan 0.000 0.427 231 T N 5.730 120.426 114.554 0.236 0.000 2.841 231 T HA 0.472 4.823 4.350 0.002 0.000 0.285 231 T C -0.972 173.554 174.700 -0.289 0.000 0.991 231 T CA -0.371 61.716 62.100 -0.022 0.000 0.966 231 T CB 1.703 70.534 68.868 -0.061 0.000 0.962 231 T HN 0.250 nan 8.240 nan 0.000 0.438 232 V N 4.864 124.529 119.914 -0.416 0.000 2.334 232 V HA 0.490 4.611 4.120 0.002 0.000 0.281 232 V C -0.418 175.382 176.094 -0.491 0.000 1.016 232 V CA -0.837 61.235 62.300 -0.380 0.000 0.832 232 V CB -0.018 31.549 31.823 -0.427 0.000 0.999 232 V HN 0.728 nan 8.190 nan 0.000 0.439 233 F N 4.884 124.754 119.950 -0.134 0.000 2.368 233 F HA 0.474 5.002 4.527 0.002 0.000 0.308 233 F C -1.750 173.933 175.800 -0.195 0.000 1.198 233 F CA -2.356 55.485 58.000 -0.265 0.000 1.130 233 F CB 0.052 38.894 39.000 -0.264 0.000 1.300 233 F HN 0.287 nan 8.300 nan 0.000 0.537 234 P HA -0.045 nan 4.420 nan 0.000 0.263 234 P C -0.960 176.304 177.300 -0.061 0.000 1.175 234 P CA 0.050 63.012 63.100 -0.229 0.000 0.761 234 P CB 0.157 31.504 31.700 -0.588 0.000 0.794 235 Q N 3.650 123.379 119.800 -0.119 0.000 2.524 235 Q HA 0.140 4.481 4.340 0.002 0.000 0.246 235 Q C -0.200 175.660 176.000 -0.233 0.000 1.063 235 Q CA -0.297 55.204 55.803 -0.503 0.000 0.945 235 Q CB 0.537 28.712 28.738 -0.937 0.000 1.292 235 Q HN 0.345 nan 8.270 nan 0.000 0.518 236 R N -0.112 120.232 120.500 -0.260 0.000 2.694 236 R HA 0.449 4.790 4.340 0.002 0.000 0.268 236 R C -0.709 175.524 176.300 -0.111 0.000 1.061 236 R CA 0.260 56.296 56.100 -0.106 0.000 1.133 236 R CB 0.663 30.898 30.300 -0.108 0.000 1.020 236 R HN 0.716 nan 8.270 nan 0.000 0.475 237 A N 3.753 126.554 122.820 -0.031 0.000 2.393 237 A HA 0.494 4.815 4.320 0.002 0.000 0.306 237 A C -2.494 175.085 177.584 -0.010 0.000 1.050 237 A CA -2.042 49.982 52.037 -0.022 0.000 0.724 237 A CB 1.414 20.431 19.000 0.027 0.000 1.248 237 A HN 0.400 nan 8.150 nan 0.000 0.424 238 P HA 0.151 nan 4.420 nan 0.000 0.263 238 P C 1.237 178.541 177.300 0.006 0.000 1.175 238 P CA 2.325 65.422 63.100 -0.004 0.000 0.761 238 P CB 0.534 32.234 31.700 0.001 0.000 0.794 239 G N 2.014 110.817 108.800 0.004 0.000 2.205 239 G HA2 -0.324 3.637 3.960 0.002 0.000 0.269 239 G HA3 -0.324 3.637 3.960 0.002 0.000 0.269 239 G C 0.399 175.304 174.900 0.009 0.000 0.977 239 G CA 0.198 45.302 45.100 0.007 0.000 0.652 239 G HN 0.720 nan 8.290 nan 0.000 0.539 240 R N 0.661 121.168 120.500 0.011 0.000 2.589 240 R HA 0.552 4.894 4.340 0.002 0.000 0.293 240 R C 0.937 177.241 176.300 0.007 0.000 0.963 240 R CA 0.000 56.106 56.100 0.011 0.000 0.905 240 R CB 0.801 31.115 30.300 0.024 0.000 1.144 240 R HN 0.288 nan 8.270 nan 0.000 0.459 241 G N 2.236 111.032 108.800 -0.007 0.000 2.630 241 G HA2 -0.025 3.936 3.960 0.002 0.000 0.236 241 G HA3 -0.025 3.936 3.960 0.002 0.000 0.236 241 G C -0.523 174.373 174.900 -0.006 0.000 1.248 241 G CA -0.321 44.774 45.100 -0.008 0.000 0.844 241 G HN 0.612 nan 8.290 nan 0.000 0.588 242 D N -0.262 120.155 120.400 0.027 0.000 2.283 242 D HA 0.312 4.953 4.640 0.002 0.000 0.248 242 D C -0.062 176.291 176.300 0.088 0.000 1.072 242 D CA 0.040 54.092 54.000 0.087 0.000 0.929 242 D CB 0.936 41.791 40.800 0.091 0.000 1.182 242 D HN 0.108 nan 8.370 nan 0.000 0.433 243 F N 1.535 121.509 119.950 0.039 0.000 2.412 243 F HA 0.304 4.832 4.527 0.002 0.000 0.348 243 F C 1.081 176.903 175.800 0.037 0.000 1.102 243 F CA 0.107 58.116 58.000 0.016 0.000 1.196 243 F CB 0.630 39.629 39.000 -0.001 0.000 1.144 243 F HN -0.169 nan 8.300 nan 0.000 0.541 244 R N 3.706 124.326 120.500 0.200 0.000 2.698 244 R HA 0.504 4.845 4.340 0.002 0.000 0.275 244 R C -1.331 175.097 176.300 0.213 0.000 1.001 244 R CA -0.819 55.415 56.100 0.224 0.000 0.896 244 R CB 2.222 32.712 30.300 0.316 0.000 1.218 244 R HN 0.612 nan 8.270 nan 0.000 0.462 245 I N 1.966 122.654 120.570 0.197 0.000 2.328 245 I HA 0.152 4.323 4.170 0.002 0.000 0.287 245 I C 0.494 176.807 176.117 0.327 0.000 1.012 245 I CA -0.448 60.955 61.300 0.171 0.000 1.195 245 I CB 1.107 39.153 38.000 0.076 0.000 1.350 245 I HN 0.527 nan 8.210 nan 0.000 0.464 246 W N 3.705 125.045 121.300 0.066 0.000 2.374 246 W HA -0.108 4.554 4.660 0.002 0.000 0.288 246 W C 0.957 177.583 176.519 0.179 0.000 1.218 246 W CA 0.165 57.618 57.345 0.181 0.000 1.245 246 W CB -0.837 28.714 29.460 0.152 0.000 1.126 246 W HN 0.418 nan 8.180 nan 0.000 0.545 247 N N -0.191 118.669 118.700 0.268 0.000 2.479 247 N HA 0.022 4.763 4.740 0.002 0.000 0.257 247 N C 1.332 176.905 175.510 0.104 0.000 1.232 247 N CA 0.832 53.964 53.050 0.137 0.000 0.920 247 N CB 0.776 39.283 38.487 0.035 0.000 1.105 247 N HN -0.112 nan 8.380 nan 0.000 0.444 248 S N 0.564 116.317 115.700 0.088 0.000 2.436 248 S HA -0.010 4.461 4.470 0.002 0.000 0.228 248 S C 0.353 174.953 174.600 -0.000 0.000 1.014 248 S CA 0.602 58.843 58.200 0.068 0.000 0.950 248 S CB 0.086 63.348 63.200 0.103 0.000 0.784 248 S HN 0.631 nan 8.310 nan 0.000 0.504 249 Q N -0.661 119.123 119.800 -0.027 0.000 2.456 249 Q HA 0.509 4.850 4.340 0.002 0.000 0.283 249 Q C 0.115 176.033 176.000 -0.136 0.000 1.084 249 Q CA -0.555 55.193 55.803 -0.092 0.000 0.801 249 Q CB 1.981 30.697 28.738 -0.037 0.000 1.434 249 Q HN 0.133 nan 8.270 nan 0.000 0.419 250 L N 0.127 121.244 121.223 -0.176 0.000 2.275 250 L HA 0.049 4.390 4.340 0.002 0.000 0.215 250 L C 0.254 176.987 176.870 -0.229 0.000 1.119 250 L CA 0.711 55.450 54.840 -0.169 0.000 0.790 250 L CB 0.231 42.186 42.059 -0.174 0.000 0.919 250 L HN 0.229 nan 8.230 nan 0.000 0.443 251 V N 0.745 120.434 119.914 -0.376 0.000 2.525 251 V HA 0.495 4.616 4.120 0.002 0.000 0.299 251 V C -0.380 175.171 176.094 -0.905 0.000 1.034 251 V CA -0.691 61.220 62.300 -0.649 0.000 0.863 251 V CB 1.880 33.195 31.823 -0.846 0.000 0.999 251 V HN 0.159 nan 8.190 nan 0.000 0.423 252 R N 2.880 122.994 120.500 -0.643 0.000 2.707 252 R HA 0.513 4.854 4.340 0.002 0.000 0.272 252 R C -1.947 174.160 176.300 -0.322 0.000 1.011 252 R CA -0.843 54.991 56.100 -0.442 0.000 0.893 252 R CB 2.464 32.667 30.300 -0.162 0.000 1.233 252 R HN 0.545 nan 8.270 nan 0.000 0.464 253 Y N 0.472 120.751 120.300 -0.035 0.000 2.320 253 Y HA 0.418 4.969 4.550 0.002 0.000 0.334 253 Y C 0.945 176.796 175.900 -0.080 0.000 1.055 253 Y CA -0.803 57.281 58.100 -0.025 0.000 1.143 253 Y CB 1.227 39.722 38.460 0.059 0.000 1.193 253 Y HN 0.723 nan 8.280 nan 0.000 0.477 254 A N 2.015 124.845 122.820 0.016 0.000 2.536 254 A HA 0.460 4.781 4.320 0.002 0.000 0.234 254 A C 0.722 178.054 177.584 -0.420 0.000 1.076 254 A CA 0.474 52.364 52.037 -0.244 0.000 0.769 254 A CB -0.284 18.509 19.000 -0.345 0.000 1.020 254 A HN 0.976 nan 8.150 nan 0.000 0.508 255 G N 0.416 108.963 108.800 -0.422 0.000 2.728 255 G HA2 0.545 4.506 3.960 0.002 0.000 0.296 255 G HA3 0.545 4.506 3.960 0.002 0.000 0.296 255 G C -0.997 173.749 174.900 -0.255 0.000 1.401 255 G CA -0.300 44.609 45.100 -0.317 0.000 1.007 255 G HN 0.562 nan 8.290 nan 0.000 0.527 256 Y N 1.931 122.242 120.300 0.019 0.000 2.335 256 Y HA 0.423 4.974 4.550 0.002 0.000 0.339 256 Y C 1.105 177.004 175.900 -0.002 0.000 0.987 256 Y CA -1.102 57.011 58.100 0.021 0.000 1.140 256 Y CB 1.509 39.978 38.460 0.016 0.000 1.173 256 Y HN 0.249 nan 8.280 nan 0.000 0.486 257 R N 3.638 124.229 120.500 0.151 0.000 2.389 257 R HA 0.200 4.541 4.340 0.002 0.000 0.295 257 R C -0.446 175.896 176.300 0.069 0.000 1.075 257 R CA -0.225 55.923 56.100 0.080 0.000 1.005 257 R CB 0.673 31.008 30.300 0.058 0.000 0.987 257 R HN 0.714 nan 8.270 nan 0.000 0.452 258 Q N 1.607 121.434 119.800 0.045 0.000 2.306 258 Q HA 0.061 4.403 4.340 0.002 0.000 0.269 258 Q C 0.998 177.006 176.000 0.014 0.000 1.053 258 Q CA -0.907 54.911 55.803 0.025 0.000 0.879 258 Q CB 1.700 30.451 28.738 0.022 0.000 1.344 258 Q HN 0.581 nan 8.270 nan 0.000 0.464 259 Q N 1.511 121.314 119.800 0.004 0.000 2.078 259 Q HA -0.312 4.029 4.340 0.002 0.000 0.222 259 Q C 0.408 176.410 176.000 0.004 0.000 1.073 259 Q CA 2.530 58.333 55.803 0.001 0.000 0.926 259 Q CB -1.316 27.420 28.738 -0.004 0.000 1.054 259 Q HN 0.912 nan 8.270 nan 0.000 0.450 260 D N 0.548 120.950 120.400 0.004 0.000 2.644 260 D HA 0.125 4.766 4.640 0.002 0.000 0.252 260 D C 1.189 177.494 176.300 0.008 0.000 1.254 260 D CA 0.844 54.847 54.000 0.005 0.000 0.884 260 D CB -0.611 40.191 40.800 0.004 0.000 1.034 260 D HN 0.744 nan 8.370 nan 0.000 0.473 261 G N 0.750 109.556 108.800 0.011 0.000 2.322 261 G HA2 -0.414 3.547 3.960 0.002 0.000 0.264 261 G HA3 -0.414 3.547 3.960 0.002 0.000 0.264 261 G C 0.704 175.612 174.900 0.014 0.000 0.992 261 G CA 1.001 46.109 45.100 0.014 0.000 0.624 261 G HN 0.806 nan 8.290 nan 0.000 0.543 262 S N -0.976 114.730 115.700 0.011 0.000 2.658 262 S HA 0.542 5.013 4.470 0.002 0.000 0.249 262 S C 0.158 174.761 174.600 0.006 0.000 1.363 262 S CA 0.297 58.500 58.200 0.006 0.000 0.964 262 S CB 1.766 64.969 63.200 0.004 0.000 0.973 262 S HN 1.223 nan 8.310 nan 0.000 0.588 263 V N 0.688 120.595 119.914 -0.011 0.000 2.760 263 V HA 0.541 4.662 4.120 0.002 0.000 0.309 263 V C -0.155 175.911 176.094 -0.047 0.000 1.077 263 V CA -0.827 61.460 62.300 -0.021 0.000 0.910 263 V CB 1.778 33.571 31.823 -0.051 0.000 1.008 263 V HN 0.932 nan 8.190 nan 0.000 0.424 264 R N 2.458 122.958 120.500 -0.001 0.000 2.255 264 R HA 0.684 5.025 4.340 0.002 0.000 0.326 264 R C 0.524 176.767 176.300 -0.096 0.000 0.986 264 R CA 0.920 57.020 56.100 -0.000 0.000 0.847 264 R CB 1.039 31.416 30.300 0.128 0.000 1.111 264 R HN 1.261 nan 8.270 nan 0.000 0.452 265 G N 2.930 111.574 108.800 -0.260 0.000 2.445 265 G HA2 -0.239 3.722 3.960 0.002 0.000 0.212 265 G HA3 -0.239 3.722 3.960 0.002 0.000 0.212 265 G C -1.314 173.141 174.900 -0.742 0.000 1.217 265 G CA -0.194 44.660 45.100 -0.411 0.000 1.002 265 G HN 0.613 nan 8.290 nan 0.000 0.574 266 D N 1.757 121.900 120.400 -0.429 0.000 2.380 266 D HA 0.533 5.174 4.640 0.002 0.000 0.230 266 D C -1.004 175.199 176.300 -0.161 0.000 1.154 266 D CA -1.868 51.951 54.000 -0.302 0.000 0.859 266 D CB 1.377 42.330 40.800 0.255 0.000 1.045 266 D HN -0.022 nan 8.370 nan 0.000 0.495 267 P HA -0.136 nan 4.420 nan 0.000 0.218 267 P C 0.881 178.189 177.300 0.013 0.000 1.146 267 P CA 1.036 64.095 63.100 -0.069 0.000 0.813 267 P CB 0.283 31.952 31.700 -0.052 0.000 0.778 268 A N -0.875 121.978 122.820 0.054 0.000 2.121 268 A HA -0.092 4.229 4.320 0.002 0.000 0.218 268 A C 1.423 179.061 177.584 0.091 0.000 1.154 268 A CA 1.174 53.273 52.037 0.104 0.000 0.679 268 A CB -0.785 18.302 19.000 0.144 0.000 0.795 268 A HN 0.158 nan 8.150 nan 0.000 0.458 269 N N -0.210 118.524 118.700 0.056 0.000 2.389 269 N HA 0.179 4.920 4.740 0.002 0.000 0.260 269 N C 0.923 176.429 175.510 -0.008 0.000 1.191 269 N CA 0.078 53.147 53.050 0.032 0.000 0.885 269 N CB 0.863 39.365 38.487 0.026 0.000 1.162 269 N HN 0.186 nan 8.380 nan 0.000 0.512 270 V N 0.714 120.630 119.914 0.005 0.000 2.270 270 V HA -0.211 3.911 4.120 0.002 0.000 0.245 270 V C 2.424 178.523 176.094 0.009 0.000 1.043 270 V CA 1.711 64.013 62.300 0.003 0.000 1.014 270 V CB -0.261 31.574 31.823 0.019 0.000 0.645 270 V HN 0.363 nan 8.190 nan 0.000 0.447 271 E N -0.193 120.016 120.200 0.014 0.000 2.023 271 E HA -0.284 4.068 4.350 0.002 0.000 0.196 271 E C 2.138 178.665 176.600 -0.123 0.000 1.003 271 E CA 1.998 58.382 56.400 -0.027 0.000 0.809 271 E CB -0.230 29.495 29.700 0.042 0.000 0.755 271 E HN 0.457 nan 8.360 nan 0.000 0.449 272 I N 0.704 121.212 120.570 -0.104 0.000 2.286 272 I HA -0.224 3.948 4.170 0.002 0.000 0.248 272 I C 2.123 178.191 176.117 -0.081 0.000 1.115 272 I CA 1.631 62.845 61.300 -0.144 0.000 1.392 272 I CB -0.456 37.515 38.000 -0.048 0.000 1.065 272 I HN 0.107 nan 8.210 nan 0.000 0.418 273 T N 0.441 114.974 114.554 -0.036 0.000 2.759 273 T HA -0.181 4.170 4.350 0.002 0.000 0.269 273 T C 1.743 176.524 174.700 0.134 0.000 1.042 273 T CA 1.778 63.899 62.100 0.035 0.000 1.140 273 T CB -0.244 68.636 68.868 0.021 0.000 0.864 273 T HN 0.506 nan 8.240 nan 0.000 0.455 274 E N 0.510 120.752 120.200 0.068 0.000 2.072 274 E HA 0.027 4.378 4.350 0.002 0.000 0.190 274 E C 2.239 178.875 176.600 0.060 0.000 0.982 274 E CA 0.641 57.088 56.400 0.078 0.000 0.803 274 E CB -0.187 29.531 29.700 0.030 0.000 0.755 274 E HN 0.417 nan 8.360 nan 0.000 0.453 275 L N 0.529 121.746 121.223 -0.010 0.000 2.083 275 L HA -0.219 4.123 4.340 0.002 0.000 0.209 275 L C 2.585 179.563 176.870 0.179 0.000 1.083 275 L CA 0.701 55.570 54.840 0.048 0.000 0.752 275 L CB -0.417 41.590 42.059 -0.088 0.000 0.899 275 L HN 0.301 nan 8.230 nan 0.000 0.433 276 C N 0.026 119.391 119.300 0.108 0.000 2.436 276 C HA -0.160 4.301 4.460 0.002 0.000 0.277 276 C C 2.716 177.876 174.990 0.283 0.000 1.241 276 C CA 0.484 59.581 59.018 0.131 0.000 1.721 276 C CB -0.636 27.096 27.740 -0.012 0.000 2.043 276 C HN 0.423 nan 8.230 nan 0.000 0.472 277 I N 0.792 121.562 120.570 0.333 0.000 2.194 277 I HA -0.320 3.851 4.170 0.002 0.000 0.246 277 I C 2.787 178.981 176.117 0.128 0.000 1.093 277 I CA 1.989 63.446 61.300 0.261 0.000 1.355 277 I CB -0.755 37.361 38.000 0.193 0.000 1.046 277 I HN 0.514 nan 8.210 nan 0.000 0.413 278 Q N 0.534 120.386 119.800 0.088 0.000 2.181 278 Q HA -0.229 4.112 4.340 0.002 0.000 0.205 278 Q C 1.342 177.264 176.000 -0.130 0.000 0.980 278 Q CA 1.476 57.261 55.803 -0.030 0.000 0.862 278 Q CB -0.039 28.667 28.738 -0.053 0.000 0.905 278 Q HN 0.589 nan 8.270 nan 0.000 0.429 279 H N -1.341 117.731 119.070 0.003 0.000 2.568 279 H HA 0.204 4.761 4.556 0.002 0.000 0.302 279 H C 0.532 175.850 175.328 -0.015 0.000 1.065 279 H CA 0.526 56.553 56.048 -0.036 0.000 1.140 279 H CB 0.637 30.343 29.762 -0.093 0.000 1.474 279 H HN 0.555 nan 8.280 nan 0.000 0.545 280 G N 1.000 109.847 108.800 0.078 0.000 2.132 280 G HA2 -0.257 3.704 3.960 0.002 0.000 0.234 280 G HA3 -0.257 3.704 3.960 0.002 0.000 0.234 280 G C -0.142 174.830 174.900 0.120 0.000 0.989 280 G CA 0.096 45.231 45.100 0.058 0.000 0.676 280 G HN 0.463 nan 8.290 nan 0.000 0.522 281 W N 1.915 123.204 121.300 -0.017 0.000 2.315 281 W HA 0.652 5.313 4.660 0.002 0.000 0.316 281 W C 0.331 176.847 176.519 -0.006 0.000 1.211 281 W CA -0.212 57.124 57.345 -0.014 0.000 1.201 281 W CB 0.925 30.389 29.460 0.006 0.000 1.184 281 W HN 0.054 nan 8.180 nan 0.000 0.544 282 T N 9.712 123.885 114.554 -0.636 0.000 2.855 282 T HA 0.143 4.495 4.350 0.002 0.000 0.290 282 T C -2.064 171.818 174.700 -1.364 0.000 0.941 282 T CA -0.808 60.873 62.100 -0.699 0.000 1.030 282 T CB -0.033 68.598 68.868 -0.395 0.000 0.935 282 T HN 0.225 nan 8.240 nan 0.000 0.564 283 P HA 0.224 nan 4.420 nan 0.000 0.269 283 P C 0.500 177.345 177.300 -0.759 0.000 1.215 283 P CA -0.190 62.102 63.100 -1.346 0.000 0.780 283 P CB 0.892 32.228 31.700 -0.606 0.000 0.898 284 G N 1.357 109.889 108.800 -0.447 0.000 2.574 284 G HA2 0.253 4.214 3.960 0.002 0.000 0.248 284 G HA3 0.253 4.214 3.960 0.002 0.000 0.248 284 G C 0.374 175.004 174.900 -0.450 0.000 1.422 284 G CA -0.520 44.452 45.100 -0.213 0.000 1.051 284 G HN 0.724 nan 8.290 nan 0.000 0.560 285 N N -0.685 117.901 118.700 -0.190 0.000 2.381 285 N HA 0.168 4.909 4.740 0.002 0.000 0.257 285 N C 0.349 175.904 175.510 0.074 0.000 1.409 285 N CA 0.004 52.923 53.050 -0.217 0.000 0.836 285 N CB 0.598 38.969 38.487 -0.193 0.000 1.384 285 N HN 0.637 nan 8.380 nan 0.000 0.490 286 G N 0.328 109.270 108.800 0.237 0.000 2.531 286 G HA2 0.342 4.303 3.960 0.002 0.000 0.313 286 G HA3 0.342 4.303 3.960 0.002 0.000 0.313 286 G C 0.565 175.561 174.900 0.160 0.000 1.238 286 G CA -0.561 44.652 45.100 0.189 0.000 0.994 286 G HN 0.063 nan 8.290 nan 0.000 0.493 287 R N -1.087 119.421 120.500 0.013 0.000 2.210 287 R HA 0.102 4.443 4.340 0.002 0.000 0.203 287 R C -0.091 175.798 176.300 -0.685 0.000 1.010 287 R CA 0.618 56.545 56.100 -0.289 0.000 1.008 287 R CB 0.136 30.218 30.300 -0.363 0.000 0.923 287 R HN 0.439 nan 8.270 nan 0.000 0.469 288 F N 0.857 120.709 119.950 -0.163 0.000 2.623 288 F HA 0.249 4.777 4.527 0.002 0.000 0.361 288 F C -0.621 174.985 175.800 -0.324 0.000 1.469 288 F CA -1.027 56.535 58.000 -0.731 0.000 1.126 288 F CB 0.649 39.044 39.000 -1.009 0.000 1.221 288 F HN -0.331 nan 8.300 nan 0.000 0.536 289 D N 1.860 122.340 120.400 0.133 0.000 2.352 289 D HA 0.137 4.778 4.640 0.002 0.000 0.245 289 D C 0.286 176.804 176.300 0.363 0.000 1.224 289 D CA 0.200 54.379 54.000 0.297 0.000 0.879 289 D CB 1.840 42.893 40.800 0.422 0.000 1.057 289 D HN -0.047 nan 8.370 nan 0.000 0.491 290 V N 4.106 124.234 119.914 0.356 0.000 2.509 290 V HA -0.088 4.033 4.120 0.002 0.000 0.297 290 V C 1.126 177.247 176.094 0.044 0.000 1.014 290 V CA 0.095 62.514 62.300 0.199 0.000 1.127 290 V CB -0.139 31.756 31.823 0.121 0.000 0.925 290 V HN 0.337 nan 8.190 nan 0.000 0.480 291 L N 8.443 129.592 121.223 -0.123 0.000 2.472 291 L HA 0.375 4.716 4.340 0.002 0.000 0.260 291 L C -1.665 174.969 176.870 -0.393 0.000 1.209 291 L CA -1.247 53.356 54.840 -0.396 0.000 0.817 291 L CB 0.626 42.469 42.059 -0.360 0.000 1.106 291 L HN 0.492 nan 8.230 nan 0.000 0.479 292 P HA 0.331 nan 4.420 nan 0.000 0.283 292 P C -1.299 175.849 177.300 -0.254 0.000 1.278 292 P CA -0.618 62.247 63.100 -0.391 0.000 0.834 292 P CB 1.353 32.702 31.700 -0.585 0.000 1.150 293 L N 0.896 122.061 121.223 -0.096 0.000 2.343 293 L HA 0.430 4.771 4.340 0.002 0.000 0.275 293 L C 0.410 177.264 176.870 -0.027 0.000 1.056 293 L CA -0.856 53.966 54.840 -0.029 0.000 0.804 293 L CB 0.732 42.831 42.059 0.066 0.000 1.203 293 L HN 0.215 nan 8.230 nan 0.000 0.440 294 L N 4.571 125.763 121.223 -0.051 0.000 2.337 294 L HA 0.435 4.776 4.340 0.002 0.000 0.269 294 L C -0.631 176.143 176.870 -0.160 0.000 1.018 294 L CA -0.223 54.513 54.840 -0.174 0.000 0.876 294 L CB 0.944 42.829 42.059 -0.291 0.000 1.236 294 L HN 0.429 nan 8.230 nan 0.000 0.436 295 L N 3.358 124.534 121.223 -0.077 0.000 2.312 295 L HA 0.476 4.817 4.340 0.002 0.000 0.281 295 L C -0.092 176.681 176.870 -0.162 0.000 1.070 295 L CA -0.259 54.524 54.840 -0.095 0.000 0.805 295 L CB 1.475 43.462 42.059 -0.120 0.000 1.174 295 L HN 0.558 nan 8.230 nan 0.000 0.434 296 Q N 2.364 122.078 119.800 -0.143 0.000 2.330 296 Q HA 0.662 5.004 4.340 0.002 0.000 0.269 296 Q C -1.211 174.701 176.000 -0.147 0.000 1.022 296 Q CA -0.636 55.073 55.803 -0.156 0.000 0.796 296 Q CB 2.242 30.913 28.738 -0.110 0.000 1.271 296 Q HN 0.786 nan 8.270 nan 0.000 0.450 297 A N 4.911 127.602 122.820 -0.215 0.000 2.293 297 A HA 0.654 4.975 4.320 0.002 0.000 0.302 297 A C -2.430 174.888 177.584 -0.442 0.000 1.119 297 A CA -1.669 50.100 52.037 -0.447 0.000 0.823 297 A CB 0.242 19.081 19.000 -0.268 0.000 1.097 297 A HN 0.619 nan 8.150 nan 0.000 0.491 298 P HA -0.030 nan 4.420 nan 0.000 0.261 298 P C -0.622 176.574 177.300 -0.172 0.000 1.165 298 P CA 0.903 63.790 63.100 -0.355 0.000 0.759 298 P CB 0.100 31.587 31.700 -0.354 0.000 0.772 299 D N 0.294 120.642 120.400 -0.086 0.000 2.737 299 D HA -0.195 4.446 4.640 0.002 0.000 0.233 299 D C -0.166 176.113 176.300 -0.035 0.000 1.155 299 D CA 1.326 55.306 54.000 -0.034 0.000 0.667 299 D CB -0.644 40.140 40.800 -0.026 0.000 1.060 299 D HN 0.473 nan 8.370 nan 0.000 0.427 300 E N -0.690 119.478 120.200 -0.052 0.000 2.292 300 E HA 0.592 4.943 4.350 0.002 0.000 0.272 300 E C -0.048 176.518 176.600 -0.057 0.000 0.881 300 E CA -0.752 55.617 56.400 -0.052 0.000 0.754 300 E CB 1.801 31.454 29.700 -0.078 0.000 1.201 300 E HN 0.166 nan 8.360 nan 0.000 0.425 301 A N 4.667 127.463 122.820 -0.039 0.000 2.565 301 A HA 0.192 4.513 4.320 0.002 0.000 0.237 301 A C -1.834 175.630 177.584 -0.201 0.000 1.053 301 A CA -0.544 51.456 52.037 -0.060 0.000 0.755 301 A CB -0.642 18.361 19.000 0.005 0.000 0.980 301 A HN 0.291 nan 8.150 nan 0.000 0.506 302 P HA 0.114 nan 4.420 nan 0.000 0.268 302 P C -0.455 176.570 177.300 -0.457 0.000 1.208 302 P CA 0.254 62.964 63.100 -0.651 0.000 0.777 302 P CB 0.647 31.488 31.700 -1.430 0.000 0.875 303 E N 0.504 120.536 120.200 -0.280 0.000 2.221 303 E HA 0.449 4.800 4.350 0.002 0.000 0.268 303 E C -0.812 175.632 176.600 -0.259 0.000 0.933 303 E CA -1.070 55.194 56.400 -0.226 0.000 0.809 303 E CB 1.431 31.087 29.700 -0.073 0.000 1.190 303 E HN 0.272 nan 8.360 nan 0.000 0.406 304 L N 2.952 123.911 121.223 -0.440 0.000 2.275 304 L HA 0.454 4.795 4.340 0.002 0.000 0.288 304 L C -1.647 174.813 176.870 -0.684 0.000 1.046 304 L CA 0.016 54.632 54.840 -0.374 0.000 0.805 304 L CB 0.220 42.140 42.059 -0.233 0.000 1.193 304 L HN 0.382 nan 8.230 nan 0.000 0.426 305 F N 4.072 123.818 119.950 -0.340 0.000 2.547 305 F HA 0.536 5.064 4.527 0.002 0.000 0.316 305 F C -0.280 175.299 175.800 -0.368 0.000 1.121 305 F CA -0.909 56.754 58.000 -0.562 0.000 0.911 305 F CB 1.941 40.276 39.000 -1.108 0.000 1.179 305 F HN 0.021 nan 8.300 nan 0.000 0.443 306 V N 4.498 124.337 119.914 -0.126 0.000 2.407 306 V HA 0.302 4.423 4.120 0.002 0.000 0.278 306 V C 0.137 176.348 176.094 0.196 0.000 1.037 306 V CA -0.779 61.538 62.300 0.030 0.000 0.900 306 V CB 1.430 33.293 31.823 0.068 0.000 0.983 306 V HN 0.550 nan 8.190 nan 0.000 0.459 307 L N 7.211 128.559 121.223 0.209 0.000 2.410 307 L HA 0.267 4.609 4.340 0.002 0.000 0.273 307 L C -2.084 174.893 176.870 0.178 0.000 1.152 307 L CA -1.441 53.549 54.840 0.250 0.000 0.855 307 L CB 0.750 42.887 42.059 0.130 0.000 1.129 307 L HN 0.445 nan 8.230 nan 0.000 0.463 308 P HA 0.047 nan 4.420 nan 0.000 0.260 308 P C -1.971 175.379 177.300 0.083 0.000 1.207 308 P CA -0.880 62.293 63.100 0.120 0.000 0.780 308 P CB 0.407 32.166 31.700 0.097 0.000 0.789 309 P HA -0.289 nan 4.420 nan 0.000 0.219 309 P C 1.427 178.760 177.300 0.054 0.000 1.153 309 P CA 1.548 64.691 63.100 0.071 0.000 0.865 309 P CB -0.136 31.607 31.700 0.071 0.000 0.788 310 E N -0.699 119.530 120.200 0.047 0.000 2.268 310 E HA -0.129 4.222 4.350 0.002 0.000 0.195 310 E C 1.648 178.266 176.600 0.030 0.000 0.995 310 E CA 1.080 57.501 56.400 0.034 0.000 0.836 310 E CB -1.075 28.642 29.700 0.028 0.000 0.763 310 E HN 0.233 nan 8.360 nan 0.000 0.491 311 L N 0.899 122.141 121.223 0.032 0.000 2.270 311 L HA 0.029 4.370 4.340 0.002 0.000 0.210 311 L C 0.994 177.883 176.870 0.032 0.000 1.104 311 L CA 0.610 55.464 54.840 0.023 0.000 0.804 311 L CB 0.165 42.228 42.059 0.007 0.000 0.937 311 L HN -0.108 nan 8.230 nan 0.000 0.450 312 V N 1.933 121.869 119.914 0.037 0.000 2.299 312 V HA 0.139 4.260 4.120 0.002 0.000 0.255 312 V C 0.091 176.220 176.094 0.059 0.000 1.100 312 V CA -0.731 61.593 62.300 0.041 0.000 0.938 312 V CB 0.511 32.351 31.823 0.029 0.000 1.139 312 V HN 0.020 nan 8.190 nan 0.000 0.490 313 L N 5.407 126.671 121.223 0.068 0.000 2.416 313 L HA 0.413 4.754 4.340 0.002 0.000 0.272 313 L C 0.178 177.095 176.870 0.078 0.000 1.161 313 L CA 0.736 55.610 54.840 0.057 0.000 0.845 313 L CB 0.371 42.460 42.059 0.051 0.000 1.119 313 L HN 0.646 nan 8.230 nan 0.000 0.464 314 E N 3.272 123.491 120.200 0.031 0.000 2.343 314 E HA 0.540 4.891 4.350 0.002 0.000 0.270 314 E C -1.536 175.008 176.600 -0.093 0.000 0.895 314 E CA -0.995 55.421 56.400 0.026 0.000 0.767 314 E CB 2.447 32.189 29.700 0.070 0.000 1.248 314 E HN 0.370 nan 8.360 nan 0.000 0.440 315 V N 3.259 123.078 119.914 -0.158 0.000 2.378 315 V HA 0.328 4.449 4.120 0.002 0.000 0.288 315 V C -2.235 173.773 176.094 -0.144 0.000 1.016 315 V CA -1.787 60.342 62.300 -0.284 0.000 0.840 315 V CB 1.363 32.729 31.823 -0.762 0.000 0.994 315 V HN 0.529 nan 8.190 nan 0.000 0.431 316 P HA 0.310 nan 4.420 nan 0.000 0.281 316 P C -0.854 176.437 177.300 -0.014 0.000 1.252 316 P CA -0.229 62.827 63.100 -0.072 0.000 0.778 316 P CB 1.226 32.892 31.700 -0.056 0.000 0.895 317 L N 3.671 124.921 121.223 0.045 0.000 2.276 317 L HA 0.425 4.766 4.340 0.002 0.000 0.286 317 L C 1.152 178.191 176.870 0.282 0.000 1.061 317 L CA -0.159 54.783 54.840 0.171 0.000 0.807 317 L CB 0.533 42.760 42.059 0.280 0.000 1.177 317 L HN 0.520 nan 8.230 nan 0.000 0.429 318 E N 2.215 122.560 120.200 0.241 0.000 2.433 318 E HA 0.413 4.764 4.350 0.002 0.000 0.273 318 E C -1.411 175.220 176.600 0.051 0.000 0.950 318 E CA -0.941 55.618 56.400 0.265 0.000 0.796 318 E CB 2.256 32.065 29.700 0.182 0.000 1.330 318 E HN 0.484 nan 8.360 nan 0.000 0.455 319 H N 1.132 120.078 119.070 -0.207 0.000 2.492 319 H HA 0.250 4.807 4.556 0.002 0.000 0.345 319 H C -1.799 173.199 175.328 -0.549 0.000 1.136 319 H CA -2.256 53.496 56.048 -0.494 0.000 1.202 319 H CB 2.068 31.444 29.762 -0.643 0.000 1.524 319 H HN 0.410 nan 8.280 nan 0.000 0.506 320 P HA -0.165 nan 4.420 nan 0.000 0.216 320 P C 0.935 178.076 177.300 -0.265 0.000 1.150 320 P CA 2.227 64.823 63.100 -0.840 0.000 0.843 320 P CB 0.414 31.671 31.700 -0.739 0.000 0.787 321 T N -4.360 110.232 114.554 0.063 0.000 2.989 321 T HA 0.190 4.541 4.350 0.002 0.000 0.250 321 T C 0.998 175.644 174.700 -0.090 0.000 0.981 321 T CA -0.263 61.843 62.100 0.011 0.000 0.980 321 T CB -0.693 68.189 68.868 0.025 0.000 1.133 321 T HN -0.062 nan 8.240 nan 0.000 0.489 322 L N 3.929 124.981 121.223 -0.285 0.000 2.462 322 L HA 0.278 4.619 4.340 0.002 0.000 0.283 322 L C 1.926 178.436 176.870 -0.599 0.000 1.166 322 L CA -0.362 54.043 54.840 -0.724 0.000 0.964 322 L CB 0.273 41.455 42.059 -1.462 0.000 1.294 322 L HN 0.473 nan 8.230 nan 0.000 0.449 323 E N 3.971 123.995 120.200 -0.294 0.000 2.171 323 E HA -0.242 4.109 4.350 0.002 0.000 0.197 323 E C 1.560 178.131 176.600 -0.049 0.000 0.997 323 E CA 1.507 57.845 56.400 -0.103 0.000 0.810 323 E CB -0.194 29.514 29.700 0.014 0.000 0.738 323 E HN 0.836 nan 8.360 nan 0.000 0.467 324 W N 0.290 121.633 121.300 0.072 0.000 2.465 324 W HA -0.025 4.637 4.660 0.002 0.000 0.268 324 W C 1.532 178.101 176.519 0.083 0.000 1.242 324 W CA -0.091 57.289 57.345 0.058 0.000 1.248 324 W CB -1.019 28.455 29.460 0.024 0.000 1.118 324 W HN -0.045 nan 8.180 nan 0.000 0.587 325 F N 3.060 122.758 119.950 -0.420 0.000 2.063 325 F HA -0.236 4.292 4.527 0.002 0.000 0.298 325 F C 2.795 178.612 175.800 0.027 0.000 1.109 325 F CA 3.418 61.279 58.000 -0.231 0.000 1.212 325 F CB -0.785 37.979 39.000 -0.392 0.000 0.973 325 F HN -0.068 nan 8.300 nan 0.000 0.480 326 A N 0.178 123.126 122.820 0.214 0.000 1.997 326 A HA -0.194 4.127 4.320 0.002 0.000 0.221 326 A C 2.232 179.856 177.584 0.068 0.000 1.172 326 A CA 1.769 53.895 52.037 0.148 0.000 0.645 326 A CB -1.623 17.451 19.000 0.123 0.000 0.813 326 A HN 0.532 nan 8.150 nan 0.000 0.454 327 A N -0.781 122.092 122.820 0.089 0.000 2.259 327 A HA 0.141 4.462 4.320 0.002 0.000 0.212 327 A C 1.802 179.414 177.584 0.046 0.000 1.178 327 A CA 1.057 53.142 52.037 0.081 0.000 0.734 327 A CB -0.559 18.517 19.000 0.127 0.000 0.774 327 A HN 0.519 nan 8.150 nan 0.000 0.481 328 L N -1.562 119.651 121.223 -0.016 0.000 2.509 328 L HA 0.156 4.497 4.340 0.002 0.000 0.222 328 L C 1.711 178.582 176.870 0.002 0.000 1.123 328 L CA 0.510 55.322 54.840 -0.048 0.000 0.856 328 L CB -0.319 41.606 42.059 -0.224 0.000 0.985 328 L HN 0.535 nan 8.230 nan 0.000 0.456 329 G N 1.299 110.098 108.800 -0.002 0.000 2.221 329 G HA2 -0.281 3.680 3.960 0.002 0.000 0.265 329 G HA3 -0.281 3.680 3.960 0.002 0.000 0.265 329 G C 0.088 174.951 174.900 -0.062 0.000 1.041 329 G CA -0.012 45.090 45.100 0.004 0.000 0.807 329 G HN 0.237 nan 8.290 nan 0.000 0.502 330 L N -0.170 120.994 121.223 -0.098 0.000 2.350 330 L HA 0.789 5.130 4.340 0.002 0.000 0.275 330 L C 1.062 177.697 176.870 -0.391 0.000 1.099 330 L CA -0.748 53.958 54.840 -0.224 0.000 0.808 330 L CB 1.054 43.120 42.059 0.010 0.000 1.149 330 L HN 0.571 nan 8.230 nan 0.000 0.442 331 R N 1.792 121.805 120.500 -0.811 0.000 2.766 331 R HA 0.553 4.894 4.340 0.002 0.000 0.270 331 R C -2.097 174.135 176.300 -0.112 0.000 1.035 331 R CA -0.998 54.836 56.100 -0.443 0.000 0.911 331 R CB 2.011 32.000 30.300 -0.519 0.000 1.243 331 R HN 0.646 nan 8.270 nan 0.000 0.460 332 W N 1.460 122.733 121.300 -0.045 0.000 3.275 332 W HA 0.292 4.953 4.660 0.002 0.000 0.306 332 W C -1.348 175.265 176.519 0.156 0.000 1.259 332 W CA -0.945 56.477 57.345 0.128 0.000 1.194 332 W CB 1.736 31.165 29.460 -0.052 0.000 1.375 332 W HN 0.699 nan 8.180 nan 0.000 0.564 333 Y N 1.318 121.487 120.300 -0.220 0.000 2.326 333 Y HA 0.533 5.084 4.550 0.002 0.000 0.333 333 Y C 0.838 176.996 175.900 0.430 0.000 1.240 333 Y CA 0.277 58.394 58.100 0.029 0.000 1.365 333 Y CB 0.277 38.631 38.460 -0.176 0.000 1.289 333 Y HN 0.343 nan 8.280 nan 0.000 0.548 334 A N 2.281 125.398 122.820 0.494 0.000 2.016 334 A HA 0.061 4.382 4.320 0.002 0.000 0.217 334 A C 0.536 178.486 177.584 0.611 0.000 1.162 334 A CA 0.318 52.701 52.037 0.578 0.000 0.662 334 A CB -0.287 18.895 19.000 0.302 0.000 0.812 334 A HN 0.663 nan 8.150 nan 0.000 0.450 335 L N 2.078 123.620 121.223 0.532 0.000 2.259 335 L HA 0.389 4.730 4.340 0.002 0.000 0.288 335 L C -2.509 174.553 176.870 0.320 0.000 1.051 335 L CA -2.201 52.855 54.840 0.359 0.000 0.824 335 L CB 1.415 43.614 42.059 0.233 0.000 1.206 335 L HN -0.011 nan 8.230 nan 0.000 0.429 336 P HA 0.316 nan 4.420 nan 0.000 0.284 336 P C -1.359 175.857 177.300 -0.140 0.000 1.432 336 P CA -0.338 62.624 63.100 -0.230 0.000 0.929 336 P CB 1.252 32.378 31.700 -0.955 0.000 1.158 337 A N 4.647 127.402 122.820 -0.108 0.000 2.646 337 A HA 0.388 4.710 4.320 0.002 0.000 0.312 337 A C -0.062 177.288 177.584 -0.390 0.000 1.245 337 A CA -0.633 51.253 52.037 -0.253 0.000 0.755 337 A CB 0.578 19.458 19.000 -0.199 0.000 1.132 337 A HN 0.282 nan 8.150 nan 0.000 0.458 338 V N 2.462 121.985 119.914 -0.652 0.000 2.599 338 V HA 0.181 4.302 4.120 0.002 0.000 0.300 338 V C 1.292 176.971 176.094 -0.692 0.000 1.034 338 V CA 1.423 63.326 62.300 -0.663 0.000 1.115 338 V CB 1.008 32.340 31.823 -0.818 0.000 0.934 338 V HN 1.098 nan 8.190 nan 0.000 0.485 339 S N 1.294 116.805 115.700 -0.315 0.000 2.787 339 S HA 0.065 4.537 4.470 0.002 0.000 0.255 339 S C 0.726 175.311 174.600 -0.025 0.000 1.051 339 S CA 0.058 58.156 58.200 -0.171 0.000 1.124 339 S CB -0.407 62.726 63.200 -0.112 0.000 1.104 339 S HN 0.916 nan 8.310 nan 0.000 0.623 340 N N 0.422 119.120 118.700 -0.004 0.000 2.203 340 N HA 0.318 5.059 4.740 0.002 0.000 0.207 340 N C 0.207 175.781 175.510 0.107 0.000 1.130 340 N CA -0.502 52.587 53.050 0.065 0.000 0.861 340 N CB 0.121 38.650 38.487 0.070 0.000 1.005 340 N HN 0.260 nan 8.380 nan 0.000 0.507 341 M N 1.318 120.995 119.600 0.129 0.000 2.359 341 M HA 0.319 4.801 4.480 0.002 0.000 0.322 341 M C -0.570 175.874 176.300 0.240 0.000 1.166 341 M CA -0.825 54.595 55.300 0.200 0.000 1.067 341 M CB 2.276 35.028 32.600 0.252 0.000 1.523 341 M HN 0.139 nan 8.290 nan 0.000 0.467 342 L N 2.560 123.906 121.223 0.204 0.000 2.309 342 L HA 0.532 4.873 4.340 0.002 0.000 0.282 342 L C -1.384 175.589 176.870 0.171 0.000 1.036 342 L CA -0.899 54.046 54.840 0.175 0.000 0.806 342 L CB 1.228 43.343 42.059 0.093 0.000 1.220 342 L HN 0.575 nan 8.230 nan 0.000 0.429 343 L N 5.190 126.507 121.223 0.157 0.000 2.265 343 L HA 0.450 4.791 4.340 0.002 0.000 0.289 343 L C -0.546 176.339 176.870 0.025 0.000 1.033 343 L CA 0.195 55.013 54.840 -0.038 0.000 0.814 343 L CB 1.089 43.118 42.059 -0.049 0.000 1.203 343 L HN 0.625 nan 8.230 nan 0.000 0.423 344 E N 6.734 126.864 120.200 -0.117 0.000 2.145 344 E HA 0.383 4.734 4.350 0.002 0.000 0.270 344 E C -1.552 174.958 176.600 -0.150 0.000 0.906 344 E CA -0.426 55.926 56.400 -0.081 0.000 0.761 344 E CB 1.031 30.678 29.700 -0.087 0.000 1.116 344 E HN 0.708 nan 8.360 nan 0.000 0.408 345 I N 2.342 122.837 120.570 -0.125 0.000 2.466 345 I HA 0.293 4.464 4.170 0.002 0.000 0.289 345 I C 0.881 176.794 176.117 -0.340 0.000 1.026 345 I CA -0.896 60.190 61.300 -0.357 0.000 1.078 345 I CB 2.014 39.715 38.000 -0.499 0.000 1.249 345 I HN 0.760 nan 8.210 nan 0.000 0.429 346 G N 4.310 112.925 108.800 -0.307 0.000 2.421 346 G HA2 -0.109 3.853 3.960 0.002 0.000 0.300 346 G HA3 -0.109 3.853 3.960 0.002 0.000 0.300 346 G C 1.064 176.049 174.900 0.142 0.000 0.974 346 G CA 0.928 46.060 45.100 0.054 0.000 1.062 346 G HN 1.554 nan 8.290 nan 0.000 0.514 347 G N -1.820 107.004 108.800 0.040 0.000 2.253 347 G HA2 -0.277 3.684 3.960 0.002 0.000 0.251 347 G HA3 -0.277 3.684 3.960 0.002 0.000 0.251 347 G C 0.607 175.470 174.900 -0.062 0.000 0.998 347 G CA 0.528 45.650 45.100 0.035 0.000 0.621 347 G HN 1.257 nan 8.290 nan 0.000 0.524 348 L N 0.846 121.980 121.223 -0.149 0.000 2.395 348 L HA 0.546 4.887 4.340 0.002 0.000 0.269 348 L C 0.366 177.011 176.870 -0.375 0.000 1.133 348 L CA -0.191 54.434 54.840 -0.359 0.000 0.812 348 L CB 0.964 42.716 42.059 -0.511 0.000 1.125 348 L HN 0.215 nan 8.230 nan 0.000 0.452 349 E N 2.462 122.350 120.200 -0.519 0.000 2.191 349 E HA 0.362 4.713 4.350 0.002 0.000 0.263 349 E C -1.517 174.744 176.600 -0.565 0.000 0.881 349 E CA -0.427 55.746 56.400 -0.377 0.000 0.757 349 E CB 1.715 31.297 29.700 -0.197 0.000 1.147 349 E HN 0.260 nan 8.360 nan 0.000 0.414 350 F N 1.985 121.892 119.950 -0.072 0.000 2.308 350 F HA 0.098 4.626 4.527 0.002 0.000 0.370 350 F C 1.571 177.395 175.800 0.039 0.000 1.100 350 F CA -0.492 57.492 58.000 -0.028 0.000 1.108 350 F CB 1.184 40.152 39.000 -0.053 0.000 1.293 350 F HN 0.434 nan 8.300 nan 0.000 0.478 351 S N 1.594 117.379 115.700 0.142 0.000 2.474 351 S HA 0.166 4.637 4.470 0.002 0.000 0.235 351 S C 0.821 175.543 174.600 0.204 0.000 0.997 351 S CA 0.396 58.686 58.200 0.149 0.000 0.949 351 S CB 0.018 63.288 63.200 0.116 0.000 0.766 351 S HN 0.520 nan 8.310 nan 0.000 0.517 352 A N 0.478 123.460 122.820 0.271 0.000 2.466 352 A HA 0.825 5.146 4.320 0.002 0.000 0.291 352 A C -0.199 177.642 177.584 0.429 0.000 1.234 352 A CA -0.178 52.049 52.037 0.317 0.000 0.752 352 A CB 0.874 20.030 19.000 0.260 0.000 1.153 352 A HN 0.966 nan 8.150 nan 0.000 0.458 353 A N 4.161 127.177 122.820 0.326 0.000 3.422 353 A HA 0.643 4.964 4.320 0.002 0.000 0.271 353 A C -2.999 174.730 177.584 0.242 0.000 1.104 353 A CA -1.013 51.178 52.037 0.257 0.000 0.899 353 A CB 0.412 19.560 19.000 0.246 0.000 1.309 353 A HN 0.500 nan 8.150 nan 0.000 0.580 354 P HA 0.396 nan 4.420 nan 0.000 0.268 354 P C -0.777 176.504 177.300 -0.032 0.000 1.204 354 P CA 0.481 63.525 63.100 -0.093 0.000 0.768 354 P CB 0.274 31.886 31.700 -0.146 0.000 0.842 355 F N -0.198 119.690 119.950 -0.103 0.000 2.599 355 F HA 0.790 5.318 4.527 0.002 0.000 0.311 355 F C -0.688 175.027 175.800 -0.143 0.000 1.076 355 F CA -1.211 56.735 58.000 -0.091 0.000 0.937 355 F CB 1.628 40.463 39.000 -0.275 0.000 1.282 355 F HN 0.433 nan 8.300 nan 0.000 0.460 356 S N 0.191 115.987 115.700 0.159 0.000 2.570 356 S HA 0.933 5.404 4.470 0.002 0.000 0.270 356 S C -0.801 173.757 174.600 -0.071 0.000 1.149 356 S CA -0.186 58.033 58.200 0.031 0.000 0.837 356 S CB 1.437 64.714 63.200 0.129 0.000 1.124 356 S HN 1.533 nan 8.310 nan 0.000 0.465 357 G N -0.171 108.540 108.800 -0.148 0.000 3.324 357 G HA2 0.714 4.675 3.960 0.002 0.000 0.188 357 G HA3 0.714 4.675 3.960 0.002 0.000 0.188 357 G C -1.571 173.336 174.900 0.012 0.000 1.384 357 G CA -0.180 44.770 45.100 -0.251 0.000 0.841 357 G HN 1.235 nan 8.290 nan 0.000 0.758 358 W N -1.239 120.053 121.300 -0.014 0.000 3.107 358 W HA 0.810 5.471 4.660 0.002 0.000 0.331 358 W C -1.530 174.967 176.519 -0.037 0.000 1.204 358 W CA -2.185 55.165 57.345 0.009 0.000 1.184 358 W CB 0.340 29.846 29.460 0.077 0.000 1.421 358 W HN 0.414 nan 8.180 nan 0.000 0.544 359 Y N 2.772 123.221 120.300 0.247 0.000 2.426 359 Y HA 0.226 4.777 4.550 0.002 0.000 0.344 359 Y C 0.884 176.819 175.900 0.059 0.000 1.256 359 Y CA -0.304 57.825 58.100 0.049 0.000 1.451 359 Y CB 0.873 39.248 38.460 -0.141 0.000 1.342 359 Y HN 0.512 nan 8.280 nan 0.000 0.600 360 M N 1.696 121.425 119.600 0.216 0.000 2.181 360 M HA 0.232 4.713 4.480 0.002 0.000 0.323 360 M C 0.910 177.202 176.300 -0.014 0.000 1.004 360 M CA -0.426 54.937 55.300 0.105 0.000 0.941 360 M CB 1.374 34.019 32.600 0.075 0.000 1.579 360 M HN 0.819 nan 8.290 nan 0.000 0.427 361 S N 1.569 117.220 115.700 -0.082 0.000 2.422 361 S HA -0.255 4.217 4.470 0.002 0.000 0.241 361 S C 1.438 175.912 174.600 -0.210 0.000 1.076 361 S CA 2.533 60.621 58.200 -0.186 0.000 1.066 361 S CB -1.616 61.526 63.200 -0.095 0.000 0.890 361 S HN 0.934 nan 8.310 nan 0.000 0.465 362 T N -0.556 113.902 114.554 -0.161 0.000 3.035 362 T HA 0.068 4.419 4.350 0.002 0.000 0.268 362 T C 1.501 176.051 174.700 -0.249 0.000 1.109 362 T CA 1.057 63.011 62.100 -0.242 0.000 1.119 362 T CB -0.474 68.205 68.868 -0.315 0.000 0.900 362 T HN 0.619 nan 8.240 nan 0.000 0.503 363 E N 0.707 120.778 120.200 -0.215 0.000 2.106 363 E HA 0.018 4.369 4.350 0.002 0.000 0.192 363 E C 1.929 178.266 176.600 -0.439 0.000 0.984 363 E CA 1.093 57.369 56.400 -0.207 0.000 0.806 363 E CB -0.176 29.545 29.700 0.035 0.000 0.750 363 E HN 0.597 nan 8.360 nan 0.000 0.458 364 I N 0.030 120.218 120.570 -0.636 0.000 2.368 364 I HA -0.043 4.128 4.170 0.002 0.000 0.238 364 I C 2.576 178.363 176.117 -0.550 0.000 1.076 364 I CA 0.875 61.635 61.300 -0.899 0.000 1.397 364 I CB -0.567 36.828 38.000 -1.008 0.000 1.141 364 I HN 0.101 nan 8.210 nan 0.000 0.430 365 G N 0.188 108.766 108.800 -0.370 0.000 2.432 365 G HA2 -0.172 3.789 3.960 0.002 0.000 0.219 365 G HA3 -0.172 3.789 3.960 0.002 0.000 0.219 365 G C 1.591 176.387 174.900 -0.173 0.000 1.135 365 G CA 1.533 46.506 45.100 -0.212 0.000 0.767 365 G HN 0.301 nan 8.290 nan 0.000 0.550 366 T N -0.133 114.292 114.554 -0.215 0.000 3.031 366 T HA 0.102 4.453 4.350 0.002 0.000 0.236 366 T C 2.527 177.123 174.700 -0.172 0.000 1.005 366 T CA 0.235 62.227 62.100 -0.180 0.000 1.230 366 T CB 0.056 68.797 68.868 -0.212 0.000 0.913 366 T HN 0.006 nan 8.240 nan 0.000 0.419 367 R N 2.041 122.418 120.500 -0.205 0.000 2.064 367 R HA 0.114 4.455 4.340 0.002 0.000 0.228 367 R C 2.179 178.365 176.300 -0.189 0.000 1.144 367 R CA 1.162 57.150 56.100 -0.186 0.000 0.932 367 R CB -1.236 28.953 30.300 -0.184 0.000 0.833 367 R HN 0.325 nan 8.270 nan 0.000 0.429 368 N N 0.965 119.505 118.700 -0.268 0.000 2.120 368 N HA -0.095 4.646 4.740 0.002 0.000 0.188 368 N C 1.935 177.371 175.510 -0.123 0.000 1.024 368 N CA 1.086 53.978 53.050 -0.263 0.000 0.852 368 N CB -0.186 37.856 38.487 -0.742 0.000 1.003 368 N HN 0.210 nan 8.380 nan 0.000 0.424 369 L N -0.960 120.155 121.223 -0.180 0.000 2.416 369 L HA 0.112 4.453 4.340 0.002 0.000 0.216 369 L C 1.197 178.103 176.870 0.058 0.000 1.098 369 L CA 0.298 55.130 54.840 -0.014 0.000 0.840 369 L CB 0.283 42.314 42.059 -0.047 0.000 0.981 369 L HN 0.138 nan 8.230 nan 0.000 0.462 370 C N -1.491 117.804 119.300 -0.010 0.000 3.228 370 C HA 0.195 4.656 4.460 0.002 0.000 0.290 370 C C 0.663 175.645 174.990 -0.013 0.000 1.301 370 C CA -0.855 58.169 59.018 0.010 0.000 1.703 370 C CB -0.260 27.473 27.740 -0.012 0.000 2.141 370 C HN 0.274 nan 8.230 nan 0.000 0.656 371 D N 2.996 123.356 120.400 -0.067 0.000 2.443 371 D HA 0.070 4.711 4.640 0.002 0.000 0.239 371 D C -1.015 175.254 176.300 -0.052 0.000 1.136 371 D CA -1.437 52.499 54.000 -0.107 0.000 0.879 371 D CB 0.799 41.393 40.800 -0.342 0.000 1.195 371 D HN 0.172 nan 8.370 nan 0.000 0.443 372 P HA -0.176 nan 4.420 nan 0.000 0.216 372 P C 0.739 178.115 177.300 0.127 0.000 1.150 372 P CA 1.440 64.609 63.100 0.116 0.000 0.837 372 P CB -0.033 31.759 31.700 0.153 0.000 0.786 373 H N -2.136 116.948 119.070 0.023 0.000 2.538 373 H HA 0.343 4.900 4.556 0.002 0.000 0.286 373 H C 0.925 176.268 175.328 0.025 0.000 1.035 373 H CA -0.225 55.834 56.048 0.019 0.000 1.169 373 H CB -0.143 29.629 29.762 0.016 0.000 1.417 373 H HN -0.007 nan 8.280 nan 0.000 0.567 374 R N -0.208 120.182 120.500 -0.184 0.000 3.322 374 R HA 0.173 4.514 4.340 0.002 0.000 0.189 374 R C 0.961 177.250 176.300 -0.019 0.000 1.510 374 R CA -0.799 55.248 56.100 -0.089 0.000 0.827 374 R CB -0.818 29.445 30.300 -0.062 0.000 1.856 374 R HN 0.081 nan 8.270 nan 0.000 0.497 375 Y N 1.600 121.913 120.300 0.021 0.000 2.574 375 Y HA -0.120 4.431 4.550 0.002 0.000 0.294 375 Y C 0.775 176.703 175.900 0.045 0.000 1.142 375 Y CA 0.994 59.123 58.100 0.050 0.000 1.314 375 Y CB -0.631 37.901 38.460 0.119 0.000 0.991 375 Y HN 0.533 nan 8.280 nan 0.000 0.555 376 N N 0.940 119.729 118.700 0.149 0.000 2.700 376 N HA -0.242 4.499 4.740 0.002 0.000 0.265 376 N C 0.442 176.037 175.510 0.142 0.000 0.975 376 N CA 0.805 53.923 53.050 0.113 0.000 0.800 376 N CB -1.233 37.301 38.487 0.079 0.000 0.908 376 N HN 0.663 nan 8.380 nan 0.000 0.551 377 I N -3.411 117.261 120.570 0.169 0.000 3.684 377 I HA 0.068 4.239 4.170 0.002 0.000 0.304 377 I C 1.566 177.789 176.117 0.177 0.000 1.278 377 I CA -0.354 61.047 61.300 0.169 0.000 1.272 377 I CB -0.103 38.007 38.000 0.182 0.000 1.029 377 I HN 0.129 nan 8.210 nan 0.000 0.458 378 L N 1.881 123.216 121.223 0.187 0.000 2.021 378 L HA -0.253 4.088 4.340 0.002 0.000 0.215 378 L C 2.555 179.645 176.870 0.366 0.000 1.074 378 L CA 2.208 57.196 54.840 0.248 0.000 0.760 378 L CB -0.922 41.257 42.059 0.200 0.000 0.889 378 L HN 0.505 nan 8.230 nan 0.000 0.433 379 E N -1.168 119.229 120.200 0.328 0.000 2.072 379 E HA -0.215 4.136 4.350 0.002 0.000 0.191 379 E C 1.765 178.402 176.600 0.062 0.000 0.985 379 E CA 1.226 57.737 56.400 0.184 0.000 0.801 379 E CB 0.042 29.782 29.700 0.067 0.000 0.750 379 E HN 0.504 nan 8.360 nan 0.000 0.452 380 D N 0.065 120.509 120.400 0.074 0.000 2.092 380 D HA -0.171 4.470 4.640 0.002 0.000 0.193 380 D C 2.069 178.391 176.300 0.036 0.000 0.994 380 D CA 1.341 55.357 54.000 0.028 0.000 0.828 380 D CB -0.367 40.459 40.800 0.043 0.000 0.963 380 D HN 0.134 nan 8.370 nan 0.000 0.450 381 V N 1.581 121.578 119.914 0.138 0.000 2.407 381 V HA -0.235 3.886 4.120 0.002 0.000 0.248 381 V C 2.571 178.780 176.094 0.191 0.000 1.055 381 V CA 1.724 64.172 62.300 0.247 0.000 1.049 381 V CB -0.876 31.165 31.823 0.363 0.000 0.662 381 V HN 0.184 nan 8.190 nan 0.000 0.455 382 A N -0.097 122.831 122.820 0.180 0.000 1.877 382 A HA -0.166 4.155 4.320 0.002 0.000 0.216 382 A C 2.415 179.973 177.584 -0.044 0.000 1.186 382 A CA 2.169 54.294 52.037 0.147 0.000 0.620 382 A CB -0.720 18.397 19.000 0.195 0.000 0.822 382 A HN 0.334 nan 8.150 nan 0.000 0.443 383 V N -0.741 119.098 119.914 -0.125 0.000 2.295 383 V HA -0.318 3.803 4.120 0.002 0.000 0.246 383 V C 2.655 178.590 176.094 -0.265 0.000 1.049 383 V CA 2.060 64.245 62.300 -0.191 0.000 1.024 383 V CB -1.049 30.666 31.823 -0.179 0.000 0.648 383 V HN 0.719 nan 8.190 nan 0.000 0.447 384 C N -0.415 118.661 119.300 -0.373 0.000 2.422 384 C HA -0.148 4.314 4.460 0.002 0.000 0.279 384 C C 2.628 177.119 174.990 -0.833 0.000 1.305 384 C CA 0.958 59.487 59.018 -0.815 0.000 1.757 384 C CB -1.049 25.902 27.740 -1.315 0.000 1.962 384 C HN 0.524 nan 8.230 nan 0.000 0.499 385 M N 0.295 119.691 119.600 -0.340 0.000 2.618 385 M HA 0.022 4.503 4.480 0.002 0.000 0.240 385 M C 0.530 176.799 176.300 -0.053 0.000 1.123 385 M CA 0.811 56.100 55.300 -0.018 0.000 1.060 385 M CB -0.452 32.268 32.600 0.199 0.000 1.535 385 M HN 0.284 nan 8.290 nan 0.000 0.507 386 D N 1.736 122.051 120.400 -0.142 0.000 2.697 386 D HA -0.168 4.473 4.640 0.002 0.000 0.238 386 D C -1.056 175.211 176.300 -0.054 0.000 1.152 386 D CA 0.518 54.451 54.000 -0.111 0.000 0.666 386 D CB -0.968 39.773 40.800 -0.098 0.000 1.037 386 D HN 0.322 nan 8.370 nan 0.000 0.423 387 L N 0.169 121.365 121.223 -0.044 0.000 2.399 387 L HA 0.341 4.682 4.340 0.002 0.000 0.265 387 L C 1.012 177.838 176.870 -0.072 0.000 1.089 387 L CA -0.888 53.956 54.840 0.006 0.000 0.802 387 L CB 0.863 42.995 42.059 0.123 0.000 1.180 387 L HN 0.015 nan 8.230 nan 0.000 0.454 388 D N 1.027 121.418 120.400 -0.016 0.000 2.455 388 D HA -0.021 4.620 4.640 0.002 0.000 0.234 388 D C 1.005 177.210 176.300 -0.158 0.000 1.224 388 D CA -0.078 53.889 54.000 -0.056 0.000 0.999 388 D CB 0.531 41.344 40.800 0.021 0.000 1.072 388 D HN 0.586 nan 8.370 nan 0.000 0.514 389 T N 0.320 114.601 114.554 -0.456 0.000 3.317 389 T HA 0.098 4.449 4.350 0.002 0.000 0.250 389 T C 1.512 175.978 174.700 -0.389 0.000 1.106 389 T CA -0.061 61.450 62.100 -0.982 0.000 0.986 389 T CB 0.019 68.123 68.868 -1.273 0.000 1.010 389 T HN 0.230 nan 8.240 nan 0.000 0.560 390 R N 0.422 120.833 120.500 -0.148 0.000 2.093 390 R HA 0.127 4.468 4.340 0.002 0.000 0.224 390 R C 1.112 177.446 176.300 0.058 0.000 1.101 390 R CA 0.872 56.947 56.100 -0.041 0.000 0.979 390 R CB -0.057 30.226 30.300 -0.027 0.000 0.877 390 R HN 0.371 nan 8.270 nan 0.000 0.441 391 T N -1.095 113.536 114.554 0.128 0.000 2.900 391 T HA 0.124 4.475 4.350 0.002 0.000 0.295 391 T C 1.151 176.017 174.700 0.278 0.000 1.044 391 T CA -0.529 61.673 62.100 0.170 0.000 0.995 391 T CB 1.849 70.780 68.868 0.104 0.000 1.072 391 T HN 0.273 nan 8.240 nan 0.000 0.473 392 T N 0.950 115.623 114.554 0.198 0.000 2.746 392 T HA -0.135 4.216 4.350 0.002 0.000 0.267 392 T C 2.147 176.880 174.700 0.056 0.000 1.039 392 T CA 1.858 64.022 62.100 0.108 0.000 1.142 392 T CB -0.910 67.982 68.868 0.040 0.000 0.866 392 T HN 0.720 nan 8.240 nan 0.000 0.444 393 S N 2.235 117.976 115.700 0.068 0.000 2.493 393 S HA -0.115 4.356 4.470 0.002 0.000 0.243 393 S C 2.091 176.729 174.600 0.063 0.000 0.991 393 S CA 1.079 59.308 58.200 0.048 0.000 0.957 393 S CB -1.001 62.225 63.200 0.044 0.000 0.756 393 S HN 0.818 nan 8.310 nan 0.000 0.521 394 S N 1.439 117.210 115.700 0.117 0.000 2.593 394 S HA 0.263 4.735 4.470 0.002 0.000 0.217 394 S C 0.936 175.608 174.600 0.120 0.000 0.966 394 S CA 0.120 58.400 58.200 0.134 0.000 0.914 394 S CB -0.955 62.364 63.200 0.199 0.000 0.776 394 S HN 0.624 nan 8.310 nan 0.000 0.523 395 L N 0.830 122.080 121.223 0.046 0.000 3.839 395 L HA -0.199 4.143 4.340 0.002 0.000 0.416 395 L C 1.765 178.618 176.870 -0.028 0.000 1.195 395 L CA 0.754 55.562 54.840 -0.054 0.000 0.946 395 L CB -2.563 39.483 42.059 -0.021 0.000 1.891 395 L HN 0.722 nan 8.230 nan 0.000 0.963 396 W N 0.187 121.501 121.300 0.023 0.000 2.342 396 W HA -0.191 4.470 4.660 0.001 0.000 0.297 396 W C 1.770 178.310 176.519 0.036 0.000 1.213 396 W CA 1.476 58.839 57.345 0.029 0.000 1.251 396 W CB -0.805 28.669 29.460 0.023 0.000 1.136 396 W HN 0.292 nan 8.180 nan 0.000 0.526 397 K N 1.062 120.994 120.400 -0.781 0.000 2.032 397 K HA -0.182 4.140 4.320 0.002 0.000 0.209 397 K C 1.520 177.965 176.600 -0.259 0.000 1.048 397 K CA 2.462 58.309 56.287 -0.732 0.000 0.927 397 K CB -0.429 31.471 32.500 -1.001 0.000 0.712 397 K HN 0.092 nan 8.250 nan 0.000 0.441 398 D N 0.599 120.877 120.400 -0.203 0.000 2.144 398 D HA -0.110 4.531 4.640 0.002 0.000 0.200 398 D C 1.669 177.957 176.300 -0.020 0.000 0.978 398 D CA 1.120 55.061 54.000 -0.098 0.000 0.833 398 D CB 0.005 40.756 40.800 -0.082 0.000 0.961 398 D HN 0.129 nan 8.370 nan 0.000 0.470 399 K N 0.421 120.834 120.400 0.021 0.000 2.097 399 K HA -0.001 4.320 4.320 0.002 0.000 0.206 399 K C 2.135 178.803 176.600 0.114 0.000 1.049 399 K CA 1.106 57.440 56.287 0.078 0.000 0.933 399 K CB -0.086 32.482 32.500 0.113 0.000 0.717 399 K HN 0.105 nan 8.250 nan 0.000 0.442 400 A N 1.438 124.344 122.820 0.142 0.000 1.897 400 A HA -0.008 4.313 4.320 0.002 0.000 0.215 400 A C 2.370 180.042 177.584 0.146 0.000 1.181 400 A CA 1.468 53.623 52.037 0.196 0.000 0.620 400 A CB -0.563 18.598 19.000 0.269 0.000 0.821 400 A HN 0.294 nan 8.150 nan 0.000 0.443 401 A N -0.310 122.553 122.820 0.071 0.000 1.908 401 A HA -0.074 4.248 4.320 0.002 0.000 0.218 401 A C 2.218 179.816 177.584 0.024 0.000 1.181 401 A CA 1.949 54.003 52.037 0.027 0.000 0.627 401 A CB -1.032 17.946 19.000 -0.036 0.000 0.818 401 A HN 0.403 nan 8.150 nan 0.000 0.445 402 V N 0.354 120.288 119.914 0.033 0.000 2.332 402 V HA -0.226 3.896 4.120 0.002 0.000 0.248 402 V C 2.555 178.677 176.094 0.048 0.000 1.055 402 V CA 2.190 64.513 62.300 0.038 0.000 1.038 402 V CB -0.702 31.152 31.823 0.051 0.000 0.651 402 V HN 0.545 nan 8.190 nan 0.000 0.450 403 E N -0.132 120.122 120.200 0.090 0.000 2.107 403 E HA -0.091 4.260 4.350 0.002 0.000 0.191 403 E C 2.151 178.760 176.600 0.015 0.000 0.982 403 E CA 1.091 57.562 56.400 0.118 0.000 0.809 403 E CB -0.247 29.563 29.700 0.183 0.000 0.756 403 E HN 0.583 nan 8.360 nan 0.000 0.459 404 I N 1.391 122.006 120.570 0.075 0.000 2.226 404 I HA -0.280 3.891 4.170 0.002 0.000 0.245 404 I C 1.711 177.803 176.117 -0.042 0.000 1.100 404 I CA 1.114 62.457 61.300 0.072 0.000 1.374 404 I CB -0.339 37.773 38.000 0.186 0.000 1.057 404 I HN 0.038 nan 8.210 nan 0.000 0.413 405 N N 0.611 119.285 118.700 -0.043 0.000 2.244 405 N HA -0.160 4.581 4.740 0.002 0.000 0.183 405 N C 1.693 177.154 175.510 -0.081 0.000 1.016 405 N CA 0.771 53.778 53.050 -0.071 0.000 0.866 405 N CB -0.155 38.300 38.487 -0.053 0.000 0.980 405 N HN 0.155 nan 8.380 nan 0.000 0.430 406 L N 0.752 121.915 121.223 -0.100 0.000 2.046 406 L HA -0.034 4.307 4.340 0.002 0.000 0.208 406 L C 2.029 178.751 176.870 -0.246 0.000 1.077 406 L CA 1.415 56.157 54.840 -0.163 0.000 0.747 406 L CB -0.766 41.162 42.059 -0.218 0.000 0.896 406 L HN 0.160 nan 8.230 nan 0.000 0.432 407 A N -1.327 121.274 122.820 -0.365 0.000 1.933 407 A HA -0.147 4.174 4.320 0.002 0.000 0.218 407 A C 2.250 179.764 177.584 -0.117 0.000 1.175 407 A CA 1.898 53.697 52.037 -0.396 0.000 0.628 407 A CB -1.046 17.444 19.000 -0.850 0.000 0.814 407 A HN 0.303 nan 8.150 nan 0.000 0.444 408 V N -0.003 119.862 119.914 -0.081 0.000 2.295 408 V HA -0.264 3.857 4.120 0.002 0.000 0.246 408 V C 2.560 178.681 176.094 0.045 0.000 1.049 408 V CA 2.007 64.314 62.300 0.010 0.000 1.024 408 V CB -0.761 30.999 31.823 -0.105 0.000 0.648 408 V HN 0.571 nan 8.190 nan 0.000 0.447 409 L N -0.644 120.565 121.223 -0.024 0.000 2.056 409 L HA -0.192 4.149 4.340 0.002 0.000 0.207 409 L C 2.615 179.503 176.870 0.030 0.000 1.078 409 L CA 2.008 56.844 54.840 -0.005 0.000 0.749 409 L CB -0.772 41.274 42.059 -0.022 0.000 0.901 409 L HN 0.474 nan 8.230 nan 0.000 0.433 410 H N -0.224 118.795 119.070 -0.084 0.000 2.290 410 H HA -0.149 4.408 4.556 0.002 0.000 0.298 410 H C 2.352 177.658 175.328 -0.037 0.000 1.087 410 H CA 2.041 58.030 56.048 -0.099 0.000 1.291 410 H CB -0.094 29.544 29.762 -0.207 0.000 1.369 410 H HN 0.141 nan 8.280 nan 0.000 0.492 411 S N -0.096 115.508 115.700 -0.160 0.000 2.354 411 S HA -0.181 4.290 4.470 0.002 0.000 0.219 411 S C 2.086 176.620 174.600 -0.110 0.000 1.035 411 S CA 1.490 59.591 58.200 -0.166 0.000 1.037 411 S CB -0.859 62.349 63.200 0.013 0.000 0.956 411 S HN 0.402 nan 8.310 nan 0.000 0.428 412 F N 1.914 121.794 119.950 -0.117 0.000 2.147 412 F HA -0.244 4.284 4.527 0.002 0.000 0.301 412 F C 2.819 178.558 175.800 -0.101 0.000 1.084 412 F CA 1.590 59.545 58.000 -0.075 0.000 1.268 412 F CB -0.355 38.624 39.000 -0.035 0.000 1.009 412 F HN 0.263 nan 8.300 nan 0.000 0.486 413 Q N -0.555 119.271 119.800 0.043 0.000 2.046 413 Q HA -0.205 4.136 4.340 0.002 0.000 0.200 413 Q C 2.199 178.134 176.000 -0.108 0.000 0.975 413 Q CA 1.371 57.153 55.803 -0.035 0.000 0.836 413 Q CB -0.423 28.285 28.738 -0.050 0.000 0.896 413 Q HN 0.340 nan 8.270 nan 0.000 0.428 414 L N 0.346 121.438 121.223 -0.219 0.000 2.079 414 L HA -0.125 4.216 4.340 0.002 0.000 0.210 414 L C 1.797 178.575 176.870 -0.154 0.000 1.081 414 L CA 1.932 56.633 54.840 -0.231 0.000 0.752 414 L CB -0.452 41.373 42.059 -0.391 0.000 0.896 414 L HN 0.134 nan 8.230 nan 0.000 0.433 415 A N -1.530 121.195 122.820 -0.159 0.000 2.278 415 A HA 0.085 4.406 4.320 0.002 0.000 0.212 415 A C 0.537 178.057 177.584 -0.107 0.000 1.213 415 A CA -0.131 51.819 52.037 -0.144 0.000 0.840 415 A CB -0.370 18.504 19.000 -0.210 0.000 0.866 415 A HN 0.327 nan 8.150 nan 0.000 0.489 416 K N -0.864 119.487 120.400 -0.080 0.000 3.451 416 K HA -0.133 4.189 4.320 0.002 0.000 0.273 416 K C -0.652 175.926 176.600 -0.036 0.000 0.944 416 K CA 0.731 56.986 56.287 -0.053 0.000 0.734 416 K CB -2.714 29.754 32.500 -0.052 0.000 1.437 416 K HN 0.298 nan 8.250 nan 0.000 0.454 417 V N 0.705 120.618 119.914 -0.001 0.000 2.540 417 V HA 0.248 4.369 4.120 0.002 0.000 0.302 417 V C 0.653 176.855 176.094 0.181 0.000 1.035 417 V CA -0.888 61.453 62.300 0.068 0.000 0.873 417 V CB 2.239 34.062 31.823 -0.001 0.000 0.992 417 V HN 0.378 nan 8.190 nan 0.000 0.428 418 T N 6.082 120.691 114.554 0.093 0.000 2.905 418 T HA 0.402 4.753 4.350 0.002 0.000 0.299 418 T C -0.259 174.484 174.700 0.072 0.000 1.024 418 T CA 0.978 63.051 62.100 -0.046 0.000 1.151 418 T CB -0.001 68.702 68.868 -0.274 0.000 0.987 418 T HN 0.540 nan 8.240 nan 0.000 0.535 419 I N 2.245 122.784 120.570 -0.052 0.000 2.882 419 I HA 0.562 4.733 4.170 0.002 0.000 0.298 419 I C -1.601 174.512 176.117 -0.007 0.000 1.462 419 I CA -0.915 60.379 61.300 -0.010 0.000 1.000 419 I CB 1.961 39.871 38.000 -0.151 0.000 1.340 419 I HN 0.440 nan 8.210 nan 0.000 0.462 420 V N 5.023 124.993 119.914 0.094 0.000 2.638 420 V HA 0.476 4.598 4.120 0.002 0.000 0.306 420 V C -1.117 175.020 176.094 0.071 0.000 1.052 420 V CA -0.293 62.072 62.300 0.108 0.000 0.885 420 V CB 2.141 34.118 31.823 0.257 0.000 0.999 420 V HN 0.860 nan 8.190 nan 0.000 0.424 421 D N 4.132 124.554 120.400 0.036 0.000 2.377 421 D HA 0.160 4.801 4.640 0.002 0.000 0.245 421 D C 1.259 177.563 176.300 0.007 0.000 1.196 421 D CA 0.211 54.221 54.000 0.017 0.000 0.962 421 D CB 0.409 41.185 40.800 -0.040 0.000 1.127 421 D HN 0.744 nan 8.370 nan 0.000 0.471 422 H N -0.543 118.465 119.070 -0.104 0.000 2.491 422 H HA -0.104 4.453 4.556 0.002 0.000 0.290 422 H C 0.914 176.152 175.328 -0.150 0.000 1.050 422 H CA 1.140 57.093 56.048 -0.159 0.000 1.309 422 H CB -0.464 29.144 29.762 -0.257 0.000 1.392 422 H HN 0.509 nan 8.280 nan 0.000 0.554 423 H N 1.093 119.985 119.070 -0.296 0.000 2.317 423 H HA 0.196 4.753 4.556 0.002 0.000 0.304 423 H C 2.513 177.818 175.328 -0.038 0.000 1.067 423 H CA 1.261 57.215 56.048 -0.157 0.000 1.352 423 H CB -0.257 29.373 29.762 -0.219 0.000 1.398 423 H HN 0.480 nan 8.280 nan 0.000 0.510 424 A N 1.491 124.367 122.820 0.093 0.000 1.908 424 A HA -0.126 4.195 4.320 0.002 0.000 0.218 424 A C 2.682 180.335 177.584 0.115 0.000 1.181 424 A CA 1.884 53.974 52.037 0.090 0.000 0.627 424 A CB -0.869 18.173 19.000 0.070 0.000 0.818 424 A HN 0.432 nan 8.150 nan 0.000 0.445 425 A N -0.201 122.686 122.820 0.112 0.000 1.883 425 A HA -0.144 4.177 4.320 0.002 0.000 0.217 425 A C 2.452 180.131 177.584 0.159 0.000 1.186 425 A CA 2.735 54.854 52.037 0.137 0.000 0.624 425 A CB -1.488 17.578 19.000 0.111 0.000 0.822 425 A HN 0.761 nan 8.150 nan 0.000 0.444 426 T N -2.587 112.052 114.554 0.140 0.000 2.867 426 T HA -0.064 4.287 4.350 0.002 0.000 0.268 426 T C 1.690 176.524 174.700 0.223 0.000 1.057 426 T CA 1.281 63.493 62.100 0.188 0.000 1.136 426 T CB -0.701 68.251 68.868 0.140 0.000 0.874 426 T HN 0.055 nan 8.240 nan 0.000 0.466 427 V N 2.801 122.818 119.914 0.171 0.000 2.343 427 V HA -0.186 3.935 4.120 0.002 0.000 0.247 427 V C 3.210 179.392 176.094 0.147 0.000 1.051 427 V CA 2.146 64.532 62.300 0.145 0.000 1.036 427 V CB -0.955 30.934 31.823 0.111 0.000 0.654 427 V HN 0.796 nan 8.190 nan 0.000 0.451 428 S N -0.303 115.495 115.700 0.164 0.000 2.402 428 S HA -0.224 4.247 4.470 0.002 0.000 0.229 428 S C 1.979 176.705 174.600 0.209 0.000 1.021 428 S CA 1.587 59.887 58.200 0.166 0.000 0.974 428 S CB -0.688 62.616 63.200 0.174 0.000 0.800 428 S HN 0.505 nan 8.310 nan 0.000 0.484 429 F N 2.037 122.047 119.950 0.100 0.000 2.186 429 F HA 0.134 4.662 4.527 0.002 0.000 0.299 429 F C 2.242 178.131 175.800 0.148 0.000 1.090 429 F CA 1.029 59.100 58.000 0.119 0.000 1.307 429 F CB -0.381 38.671 39.000 0.087 0.000 1.019 429 F HN 0.105 nan 8.300 nan 0.000 0.489 430 M N 0.304 119.947 119.600 0.071 0.000 2.080 430 M HA -0.219 4.262 4.480 0.002 0.000 0.260 430 M C 2.271 178.534 176.300 -0.062 0.000 1.068 430 M CA 1.694 56.984 55.300 -0.017 0.000 1.109 430 M CB -1.352 31.294 32.600 0.077 0.000 1.342 430 M HN 0.073 nan 8.290 nan 0.000 0.405 431 K N -0.495 119.909 120.400 0.007 0.000 2.044 431 K HA -0.249 4.072 4.320 0.002 0.000 0.210 431 K C 2.036 178.628 176.600 -0.014 0.000 1.049 431 K CA 2.029 58.322 56.287 0.011 0.000 0.927 431 K CB -0.535 31.996 32.500 0.052 0.000 0.713 431 K HN 0.381 nan 8.250 nan 0.000 0.443 432 H N -0.009 118.982 119.070 -0.132 0.000 2.352 432 H HA -0.057 4.500 4.556 0.002 0.000 0.299 432 H C 1.730 176.908 175.328 -0.251 0.000 1.097 432 H CA 2.163 58.112 56.048 -0.164 0.000 1.311 432 H CB -0.212 29.438 29.762 -0.185 0.000 1.377 432 H HN 0.187 nan 8.280 nan 0.000 0.504 433 L N 0.052 121.006 121.223 -0.447 0.000 2.042 433 L HA -0.215 4.126 4.340 0.002 0.000 0.210 433 L C 2.500 179.212 176.870 -0.263 0.000 1.076 433 L CA 1.852 56.438 54.840 -0.423 0.000 0.749 433 L CB -0.528 41.328 42.059 -0.339 0.000 0.893 433 L HN 0.504 nan 8.230 nan 0.000 0.432 434 D N 0.007 120.301 120.400 -0.176 0.000 2.084 434 D HA -0.191 4.450 4.640 0.002 0.000 0.194 434 D C 1.741 177.973 176.300 -0.113 0.000 0.990 434 D CA 1.234 55.168 54.000 -0.109 0.000 0.826 434 D CB 0.046 40.808 40.800 -0.063 0.000 0.971 434 D HN 0.293 nan 8.370 nan 0.000 0.453 435 N N 0.927 119.556 118.700 -0.119 0.000 2.137 435 N HA -0.150 4.592 4.740 0.002 0.000 0.190 435 N C 1.654 177.092 175.510 -0.121 0.000 1.017 435 N CA 0.863 53.862 53.050 -0.083 0.000 0.859 435 N CB -0.282 38.191 38.487 -0.023 0.000 1.002 435 N HN 0.367 nan 8.380 nan 0.000 0.428 436 E N 0.498 120.545 120.200 -0.255 0.000 2.158 436 E HA -0.097 4.254 4.350 0.002 0.000 0.191 436 E C 1.887 178.400 176.600 -0.144 0.000 0.982 436 E CA 0.384 56.634 56.400 -0.249 0.000 0.823 436 E CB -0.113 29.325 29.700 -0.437 0.000 0.766 436 E HN 0.300 nan 8.360 nan 0.000 0.468 437 Q N 1.716 121.438 119.800 -0.130 0.000 2.030 437 Q HA -0.145 4.196 4.340 0.002 0.000 0.204 437 Q C 1.771 177.739 176.000 -0.054 0.000 0.986 437 Q CA 1.915 57.673 55.803 -0.075 0.000 0.843 437 Q CB -0.048 28.651 28.738 -0.065 0.000 0.904 437 Q HN 0.109 nan 8.270 nan 0.000 0.420 438 K N -0.647 119.722 120.400 -0.052 0.000 2.148 438 K HA 0.016 4.337 4.320 0.002 0.000 0.204 438 K C 1.944 178.526 176.600 -0.030 0.000 1.050 438 K CA 1.133 57.399 56.287 -0.036 0.000 0.942 438 K CB -0.185 32.297 32.500 -0.030 0.000 0.724 438 K HN 0.249 nan 8.250 nan 0.000 0.446 439 A N 0.870 123.671 122.820 -0.031 0.000 1.970 439 A HA 0.008 4.329 4.320 0.002 0.000 0.216 439 A C 1.752 179.326 177.584 -0.016 0.000 1.170 439 A CA 0.986 53.017 52.037 -0.011 0.000 0.645 439 A CB 0.089 19.098 19.000 0.015 0.000 0.816 439 A HN 0.145 nan 8.150 nan 0.000 0.447 440 R N -2.884 117.595 120.500 -0.034 0.000 2.539 440 R HA 0.240 4.582 4.340 0.002 0.000 0.342 440 R C 0.767 177.053 176.300 -0.022 0.000 0.941 440 R CA 0.523 56.608 56.100 -0.025 0.000 1.146 440 R CB 0.803 31.085 30.300 -0.030 0.000 1.541 440 R HN 0.671 nan 8.270 nan 0.000 0.525 441 G N 0.839 109.621 108.800 -0.030 0.000 2.137 441 G HA2 -0.153 3.808 3.960 0.002 0.000 0.237 441 G HA3 -0.153 3.808 3.960 0.002 0.000 0.237 441 G C 0.165 175.068 174.900 0.005 0.000 1.002 441 G CA 0.031 45.116 45.100 -0.026 0.000 0.702 441 G HN 0.711 nan 8.290 nan 0.000 0.515 442 G N -2.399 106.406 108.800 0.008 0.000 2.336 442 G HA2 0.538 4.499 3.960 0.002 0.000 0.300 442 G HA3 0.538 4.499 3.960 0.002 0.000 0.300 442 G C -0.797 174.126 174.900 0.040 0.000 1.375 442 G CA 0.366 45.502 45.100 0.059 0.000 0.885 442 G HN 1.947 nan 8.290 nan 0.000 0.599 443 C N 2.251 121.593 119.300 0.070 0.000 2.727 443 C HA 0.709 5.170 4.460 0.002 0.000 0.369 443 C C -2.508 172.469 174.990 -0.022 0.000 1.067 443 C CA -1.232 57.779 59.018 -0.011 0.000 1.273 443 C CB 1.177 28.844 27.740 -0.122 0.000 1.778 443 C HN 0.720 nan 8.230 nan 0.000 0.467 444 P HA 0.389 nan 4.420 nan 0.000 0.266 444 P C -0.580 176.613 177.300 -0.179 0.000 1.215 444 P CA 0.650 63.395 63.100 -0.591 0.000 0.763 444 P CB 1.031 32.102 31.700 -1.049 0.000 0.806 445 A N 2.829 125.611 122.820 -0.065 0.000 2.486 445 A HA 0.463 4.784 4.320 0.002 0.000 0.300 445 A C -1.097 176.535 177.584 0.078 0.000 1.048 445 A CA -0.552 51.538 52.037 0.088 0.000 0.696 445 A CB 1.423 20.596 19.000 0.290 0.000 1.278 445 A HN 0.445 nan 8.150 nan 0.000 0.405 446 D N 1.693 122.133 120.400 0.067 0.000 2.473 446 D HA 0.164 4.805 4.640 0.002 0.000 0.226 446 D C 0.775 177.215 176.300 0.232 0.000 1.089 446 D CA -0.568 53.500 54.000 0.113 0.000 0.883 446 D CB 0.355 41.145 40.800 -0.017 0.000 1.029 446 D HN 0.571 nan 8.370 nan 0.000 0.517 447 W N 4.383 125.731 121.300 0.079 0.000 2.302 447 W HA -0.331 4.330 4.660 0.002 0.000 0.320 447 W C 1.978 178.556 176.519 0.098 0.000 1.241 447 W CA 2.719 60.108 57.345 0.072 0.000 1.264 447 W CB -0.094 29.382 29.460 0.026 0.000 1.154 447 W HN 0.557 nan 8.180 nan 0.000 0.483 448 A N -1.056 122.084 122.820 0.534 0.000 1.986 448 A HA -0.236 4.085 4.320 0.002 0.000 0.220 448 A C 1.536 179.215 177.584 0.158 0.000 1.171 448 A CA 1.834 54.099 52.037 0.379 0.000 0.640 448 A CB -1.386 17.863 19.000 0.415 0.000 0.811 448 A HN 0.556 nan 8.150 nan 0.000 0.451 449 W N -0.830 120.453 121.300 -0.029 0.000 2.640 449 W HA 0.168 4.829 4.660 0.002 0.000 0.268 449 W C 1.895 178.308 176.519 -0.177 0.000 1.263 449 W CA -0.039 57.260 57.345 -0.078 0.000 1.344 449 W CB -0.152 29.285 29.460 -0.038 0.000 1.093 449 W HN 0.153 nan 8.180 nan 0.000 0.603 450 I N -0.223 120.323 120.570 -0.040 0.000 2.286 450 I HA -0.074 4.097 4.170 0.002 0.000 0.245 450 I C 0.660 176.606 176.117 -0.286 0.000 1.104 450 I CA 0.754 61.910 61.300 -0.240 0.000 1.397 450 I CB -1.502 36.309 38.000 -0.316 0.000 1.072 450 I HN -0.410 nan 8.210 nan 0.000 0.417 451 V N 4.094 123.751 119.914 -0.430 0.000 2.479 451 V HA 0.076 4.197 4.120 0.002 0.000 0.281 451 V C -1.883 174.043 176.094 -0.281 0.000 1.031 451 V CA -1.083 60.947 62.300 -0.449 0.000 1.038 451 V CB 0.024 31.335 31.823 -0.854 0.000 0.981 451 V HN 0.137 nan 8.190 nan 0.000 0.478 452 P HA 0.080 nan 4.420 nan 0.000 0.268 452 P C -1.741 175.428 177.300 -0.220 0.000 1.208 452 P CA -1.016 61.957 63.100 -0.212 0.000 0.777 452 P CB -0.007 31.561 31.700 -0.220 0.000 0.875 453 P HA -0.035 nan 4.420 nan 0.000 0.230 453 P C 0.268 177.455 177.300 -0.189 0.000 1.158 453 P CA 1.282 64.262 63.100 -0.199 0.000 0.769 453 P CB 0.001 31.577 31.700 -0.207 0.000 0.807 454 I N -7.058 113.364 120.570 -0.246 0.000 2.969 454 I HA 0.459 4.630 4.170 0.002 0.000 0.307 454 I C -0.144 175.856 176.117 -0.195 0.000 1.149 454 I CA -1.257 59.916 61.300 -0.211 0.000 1.008 454 I CB 2.006 39.864 38.000 -0.236 0.000 1.232 454 I HN -0.404 nan 8.210 nan 0.000 0.435 455 S N 2.067 117.699 115.700 -0.113 0.000 3.581 455 S HA -0.191 4.280 4.470 0.002 0.000 0.354 455 S C 1.291 175.840 174.600 -0.085 0.000 1.059 455 S CA 0.819 58.987 58.200 -0.054 0.000 1.060 455 S CB -1.706 61.533 63.200 0.065 0.000 0.908 455 S HN 1.243 nan 8.310 nan 0.000 0.475 456 G N 2.362 111.072 108.800 -0.150 0.000 2.545 456 G HA2 -0.280 3.681 3.960 0.002 0.000 0.217 456 G HA3 -0.280 3.681 3.960 0.002 0.000 0.217 456 G C 1.484 176.182 174.900 -0.336 0.000 1.218 456 G CA 1.434 46.436 45.100 -0.164 0.000 0.787 456 G HN 1.235 nan 8.290 nan 0.000 0.571 457 S N 0.440 115.633 115.700 -0.846 0.000 2.507 457 S HA 0.104 4.575 4.470 0.002 0.000 0.235 457 S C 2.115 176.631 174.600 -0.140 0.000 0.988 457 S CA 0.724 58.326 58.200 -0.997 0.000 0.944 457 S CB -0.262 62.301 63.200 -1.062 0.000 0.762 457 S HN 0.310 nan 8.310 nan 0.000 0.526 458 L N 1.939 123.131 121.223 -0.052 0.000 2.552 458 L HA 0.126 4.467 4.340 0.002 0.000 0.227 458 L C 1.315 178.312 176.870 0.212 0.000 1.146 458 L CA 0.576 55.484 54.840 0.114 0.000 0.858 458 L CB -1.003 41.149 42.059 0.155 0.000 0.969 458 L HN 0.516 nan 8.230 nan 0.000 0.451 459 T N -4.503 110.163 114.554 0.188 0.000 2.940 459 T HA 0.329 4.680 4.350 0.002 0.000 0.288 459 T C -1.712 173.168 174.700 0.300 0.000 1.033 459 T CA -1.991 60.248 62.100 0.231 0.000 1.033 459 T CB 2.099 71.054 68.868 0.145 0.000 1.079 459 T HN -0.215 nan 8.240 nan 0.000 0.496 460 P HA -0.083 nan 4.420 nan 0.000 0.220 460 P C 1.779 179.281 177.300 0.336 0.000 1.148 460 P CA 1.112 64.403 63.100 0.319 0.000 0.803 460 P CB -0.323 31.510 31.700 0.222 0.000 0.782 461 V N -3.623 116.447 119.914 0.259 0.000 2.515 461 V HA -0.183 3.938 4.120 0.002 0.000 0.250 461 V C 2.429 178.638 176.094 0.191 0.000 1.058 461 V CA 1.151 63.582 62.300 0.219 0.000 1.064 461 V CB -2.270 29.632 31.823 0.131 0.000 0.675 461 V HN -0.115 nan 8.190 nan 0.000 0.461 462 F N 1.889 121.838 119.950 -0.001 0.000 2.154 462 F HA -0.205 4.323 4.527 0.002 0.000 0.301 462 F C 2.434 178.376 175.800 0.237 0.000 1.087 462 F CA 2.309 60.309 58.000 0.000 0.000 1.274 462 F CB -0.326 38.565 39.000 -0.183 0.000 1.009 462 F HN 0.274 nan 8.300 nan 0.000 0.485 463 H N -0.963 118.404 119.070 0.495 0.000 2.539 463 H HA 0.105 4.662 4.556 0.002 0.000 0.267 463 H C 0.247 175.796 175.328 0.369 0.000 0.982 463 H CA 0.265 56.560 56.048 0.412 0.000 1.146 463 H CB -0.168 29.836 29.762 0.404 0.000 1.382 463 H HN 0.262 nan 8.280 nan 0.000 0.577 464 Q N 1.856 121.912 119.800 0.427 0.000 2.325 464 Q HA 0.171 4.512 4.340 0.002 0.000 0.262 464 Q C -0.523 175.686 176.000 0.350 0.000 0.968 464 Q CA -0.438 55.569 55.803 0.340 0.000 0.877 464 Q CB 0.892 29.800 28.738 0.283 0.000 1.253 464 Q HN 0.226 nan 8.270 nan 0.000 0.448 465 E N 3.089 123.446 120.200 0.261 0.000 2.408 465 E HA 0.321 4.672 4.350 0.002 0.000 0.259 465 E C -0.502 176.217 176.600 0.199 0.000 1.110 465 E CA 0.218 56.729 56.400 0.184 0.000 0.929 465 E CB 0.799 30.589 29.700 0.150 0.000 0.971 465 E HN 0.602 nan 8.360 nan 0.000 0.438 466 M N 1.021 120.731 119.600 0.182 0.000 2.484 466 M HA 0.336 4.818 4.480 0.002 0.000 0.289 466 M C -1.324 175.071 176.300 0.158 0.000 1.206 466 M CA -0.904 54.515 55.300 0.200 0.000 0.892 466 M CB 2.362 35.136 32.600 0.291 0.000 1.712 466 M HN 0.140 nan 8.290 nan 0.000 0.462 467 V N 1.856 121.874 119.914 0.174 0.000 2.483 467 V HA 0.532 4.653 4.120 0.002 0.000 0.295 467 V C -0.691 175.506 176.094 0.171 0.000 1.035 467 V CA -0.653 61.780 62.300 0.221 0.000 0.896 467 V CB 1.735 33.759 31.823 0.335 0.000 0.986 467 V HN 0.837 nan 8.190 nan 0.000 0.447 468 N N 3.370 122.166 118.700 0.160 0.000 2.314 468 N HA 0.691 5.432 4.740 0.002 0.000 0.294 468 N C -1.270 174.304 175.510 0.106 0.000 1.029 468 N CA -0.491 52.551 53.050 -0.013 0.000 0.845 468 N CB 1.595 40.089 38.487 0.011 0.000 1.321 468 N HN 0.660 nan 8.380 nan 0.000 0.481 469 Y N 0.174 120.486 120.300 0.021 0.000 2.713 469 Y HA 0.557 5.108 4.550 0.002 0.000 0.335 469 Y C -1.138 174.761 175.900 -0.002 0.000 1.222 469 Y CA -1.252 56.855 58.100 0.011 0.000 1.061 469 Y CB 0.836 39.307 38.460 0.018 0.000 1.314 469 Y HN 0.212 nan 8.280 nan 0.000 0.453 470 I N 3.360 124.027 120.570 0.161 0.000 2.315 470 I HA 0.395 4.566 4.170 0.002 0.000 0.291 470 I C -0.673 175.511 176.117 0.113 0.000 1.006 470 I CA -0.403 60.937 61.300 0.067 0.000 1.265 470 I CB 0.955 38.978 38.000 0.038 0.000 1.387 470 I HN 0.411 nan 8.210 nan 0.000 0.475 471 L N 4.848 126.107 121.223 0.060 0.000 2.330 471 L HA 0.570 4.911 4.340 0.002 0.000 0.271 471 L C -0.051 176.820 176.870 0.002 0.000 1.013 471 L CA -0.540 54.338 54.840 0.064 0.000 0.816 471 L CB 2.133 44.231 42.059 0.065 0.000 1.287 471 L HN 0.505 nan 8.230 nan 0.000 0.435 472 S N 1.288 116.997 115.700 0.015 0.000 2.513 472 S HA 0.629 5.100 4.470 0.002 0.000 0.299 472 S C -2.552 172.060 174.600 0.020 0.000 1.087 472 S CA -1.394 56.799 58.200 -0.011 0.000 1.012 472 S CB 1.910 65.119 63.200 0.015 0.000 1.044 472 S HN 0.240 nan 8.310 nan 0.000 0.485 473 P HA 0.395 nan 4.420 nan 0.000 0.269 473 P C -1.329 175.843 177.300 -0.214 0.000 1.211 473 P CA -0.011 62.990 63.100 -0.165 0.000 0.781 473 P CB 0.455 32.011 31.700 -0.241 0.000 0.877 474 A N 1.064 123.710 122.820 -0.291 0.000 2.608 474 A HA 0.642 4.963 4.320 0.002 0.000 0.292 474 A C -1.608 175.733 177.584 -0.405 0.000 1.066 474 A CA -0.521 51.340 52.037 -0.294 0.000 0.676 474 A CB 0.651 19.564 19.000 -0.146 0.000 1.277 474 A HN 0.319 nan 8.150 nan 0.000 0.413 475 F N 1.048 120.906 119.950 -0.154 0.000 2.408 475 F HA 0.680 5.208 4.527 0.002 0.000 0.344 475 F C 1.038 176.719 175.800 -0.199 0.000 1.112 475 F CA 0.255 58.158 58.000 -0.162 0.000 1.096 475 F CB 1.653 40.515 39.000 -0.230 0.000 1.129 475 F HN 0.542 nan 8.300 nan 0.000 0.486 476 R N 1.720 122.223 120.500 0.006 0.000 2.837 476 R HA 0.448 4.789 4.340 0.002 0.000 0.271 476 R C -1.610 174.649 176.300 -0.068 0.000 0.993 476 R CA -1.225 54.820 56.100 -0.092 0.000 0.931 476 R CB 1.820 32.103 30.300 -0.028 0.000 1.206 476 R HN 0.426 nan 8.270 nan 0.000 0.474 477 Y N 1.379 121.702 120.300 0.040 0.000 2.301 477 Y HA 0.163 4.714 4.550 0.002 0.000 0.328 477 Y C 0.621 176.524 175.900 0.005 0.000 1.242 477 Y CA -0.021 58.095 58.100 0.028 0.000 1.323 477 Y CB 0.954 39.419 38.460 0.009 0.000 1.266 477 Y HN 0.440 nan 8.280 nan 0.000 0.527 478 Q N 1.647 121.544 119.800 0.163 0.000 2.456 478 Q HA 0.648 4.989 4.340 0.002 0.000 0.283 478 Q C -3.105 172.875 176.000 -0.033 0.000 1.084 478 Q CA -2.551 53.282 55.803 0.049 0.000 0.801 478 Q CB 2.022 30.780 28.738 0.035 0.000 1.434 478 Q HN 0.278 nan 8.270 nan 0.000 0.419 479 P HA 0.040 nan 4.420 nan 0.000 0.267 479 P C -1.012 176.093 177.300 -0.325 0.000 1.200 479 P CA 0.053 63.037 63.100 -0.193 0.000 0.772 479 P CB 0.354 31.952 31.700 -0.170 0.000 0.855 480 D N 3.775 123.852 120.400 -0.537 0.000 2.383 480 D HA 0.018 4.659 4.640 0.002 0.000 0.252 480 D C -0.998 174.693 176.300 -1.016 0.000 1.166 480 D CA -1.190 52.214 54.000 -0.993 0.000 0.879 480 D CB 0.416 40.264 40.800 -1.586 0.000 1.164 480 D HN 0.300 nan 8.370 nan 0.000 0.462 481 P HA -0.108 nan 4.420 nan 0.000 0.231 481 P C -0.051 176.956 177.300 -0.489 0.000 1.154 481 P CA 0.813 63.568 63.100 -0.576 0.000 0.762 481 P CB -0.024 31.389 31.700 -0.477 0.000 0.790 482 W N 0.000 120.939 121.300 -0.601 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.133 57.345 -0.354 0.000 1.226 482 W CB 0.000 29.180 29.460 -0.467 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535