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 3dqt_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RXXXXXXXXX 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 0.000 176.371 176.600 -0.382 0.000 0.988 69 K CA 0.000 56.056 56.287 -0.384 0.000 0.838 69 K CB 0.000 32.078 32.500 -0.704 0.000 1.064 70 F N 5.300 125.240 119.950 -0.015 0.000 2.504 70 F HA 0.279 4.807 4.527 0.002 0.000 0.369 70 F C -1.751 174.110 175.800 0.100 0.000 1.082 70 F CA -1.572 56.439 58.000 0.018 0.000 1.216 70 F CB 0.033 39.030 39.000 -0.006 0.000 1.108 70 F HN 0.026 nan 8.300 nan 0.000 0.554 71 P HA 0.129 nan 4.420 nan 0.000 0.279 71 P C -0.921 176.546 177.300 0.278 0.000 1.239 71 P CA -0.665 62.567 63.100 0.219 0.000 0.789 71 P CB 1.193 32.976 31.700 0.138 0.000 0.933 72 R N 2.465 123.090 120.500 0.208 0.000 2.221 72 R HA 0.397 4.738 4.340 0.002 0.000 0.327 72 R C -1.092 175.179 176.300 -0.049 0.000 1.033 72 R CA -0.522 55.567 56.100 -0.019 0.000 0.887 72 R CB 0.494 30.819 30.300 0.041 0.000 1.057 72 R HN 0.257 nan 8.270 nan 0.000 0.455 73 V N 5.182 125.020 119.914 -0.126 0.000 2.398 73 V HA 0.370 4.491 4.120 0.002 0.000 0.286 73 V C -0.109 175.928 176.094 -0.095 0.000 1.026 73 V CA -0.672 61.605 62.300 -0.038 0.000 0.868 73 V CB 1.344 33.171 31.823 0.007 0.000 0.982 73 V HN 0.731 nan 8.190 nan 0.000 0.443 74 K N 3.768 124.141 120.400 -0.046 0.000 2.316 74 K HA 0.418 4.739 4.320 0.002 0.000 0.251 74 K C -0.755 175.764 176.600 -0.135 0.000 0.934 74 K CA -0.732 55.443 56.287 -0.187 0.000 0.802 74 K CB 1.645 33.906 32.500 -0.399 0.000 1.171 74 K HN 0.723 nan 8.250 nan 0.000 0.426 75 N N 3.881 122.471 118.700 -0.184 0.000 2.437 75 N HA 0.094 4.835 4.740 0.002 0.000 0.259 75 N C -0.334 175.087 175.510 -0.148 0.000 0.983 75 N CA -0.337 52.702 53.050 -0.019 0.000 0.937 75 N CB 0.478 38.982 38.487 0.029 0.000 1.122 75 N HN 0.648 nan 8.380 nan 0.000 0.499 76 W N 2.080 123.457 121.300 0.128 0.000 3.077 76 W HA 0.144 4.805 4.660 0.002 0.000 0.245 76 W C 1.951 178.510 176.519 0.067 0.000 1.316 76 W CA -0.181 57.229 57.345 0.108 0.000 1.537 76 W CB 0.259 29.807 29.460 0.148 0.000 1.131 76 W HN 0.663 nan 8.180 nan 0.000 0.695 77 E N 0.199 120.508 120.200 0.182 0.000 2.216 77 E HA -0.027 4.324 4.350 0.002 0.000 0.192 77 E C 1.526 178.139 176.600 0.021 0.000 0.973 77 E CA 0.793 57.220 56.400 0.044 0.000 0.851 77 E CB 0.029 29.734 29.700 0.009 0.000 0.804 77 E HN 0.282 nan 8.360 nan 0.000 0.477 78 L N -1.237 119.994 121.223 0.012 0.000 2.817 78 L HA 0.414 4.755 4.340 0.002 0.000 0.248 78 L C 1.383 178.215 176.870 -0.064 0.000 1.133 78 L CA 0.285 55.114 54.840 -0.018 0.000 0.935 78 L CB 0.890 42.945 42.059 -0.007 0.000 1.266 78 L HN 0.271 nan 8.230 nan 0.000 0.535 79 G N 1.173 109.900 108.800 -0.122 0.000 2.166 79 G HA2 -0.327 3.634 3.960 0.002 0.000 0.260 79 G HA3 -0.327 3.634 3.960 0.002 0.000 0.260 79 G C 0.412 175.194 174.900 -0.196 0.000 0.986 79 G CA 0.547 45.525 45.100 -0.205 0.000 0.683 79 G HN 0.492 nan 8.290 nan 0.000 0.527 80 S N -0.688 114.920 115.700 -0.153 0.000 2.603 80 S HA 0.772 5.243 4.470 0.002 0.000 0.268 80 S C 0.168 174.661 174.600 -0.178 0.000 1.317 80 S CA -0.434 57.687 58.200 -0.132 0.000 1.012 80 S CB 2.148 65.299 63.200 -0.083 0.000 0.926 80 S HN 0.605 nan 8.310 nan 0.000 0.539 81 I N 1.148 121.615 120.570 -0.172 0.000 2.769 81 I HA 0.525 4.696 4.170 0.002 0.000 0.298 81 I C -0.232 175.736 176.117 -0.250 0.000 1.128 81 I CA -0.550 60.608 61.300 -0.236 0.000 1.031 81 I CB 2.732 40.568 38.000 -0.273 0.000 1.235 81 I HN 1.006 nan 8.210 nan 0.000 0.423 82 T N 0.614 114.976 114.554 -0.320 0.000 2.865 82 T HA 0.600 4.951 4.350 0.002 0.000 0.294 82 T C -1.365 173.059 174.700 -0.459 0.000 1.119 82 T CA -0.776 61.157 62.100 -0.278 0.000 1.007 82 T CB 1.707 70.506 68.868 -0.116 0.000 1.225 82 T HN 0.329 nan 8.240 nan 0.000 0.515 83 Y N 0.438 120.733 120.300 -0.007 0.000 2.326 83 Y HA 0.382 4.933 4.550 0.002 0.000 0.331 83 Y C 0.046 175.947 175.900 0.003 0.000 0.962 83 Y CA -0.970 57.134 58.100 0.008 0.000 1.167 83 Y CB 1.543 39.989 38.460 -0.023 0.000 1.148 83 Y HN 0.716 nan 8.280 nan 0.000 0.463 84 D N 2.611 123.116 120.400 0.175 0.000 2.336 84 D HA 0.043 4.684 4.640 0.002 0.000 0.249 84 D C 0.643 177.027 176.300 0.140 0.000 1.213 84 D CA 0.328 54.405 54.000 0.129 0.000 0.870 84 D CB 1.197 42.083 40.800 0.144 0.000 1.076 84 D HN 0.763 nan 8.370 nan 0.000 0.483 85 T N 1.106 115.693 114.554 0.056 0.000 3.044 85 T HA 0.007 4.358 4.350 0.002 0.000 0.260 85 T C 1.571 176.285 174.700 0.025 0.000 1.019 85 T CA -0.374 61.750 62.100 0.040 0.000 0.921 85 T CB 0.206 68.925 68.868 -0.250 0.000 1.053 85 T HN 0.235 nan 8.240 nan 0.000 0.533 86 L N 2.205 123.422 121.223 -0.010 0.000 2.179 86 L HA 0.180 4.521 4.340 0.002 0.000 0.208 86 L C 2.594 179.339 176.870 -0.209 0.000 1.096 86 L CA 0.945 55.773 54.840 -0.019 0.000 0.779 86 L CB -0.804 41.311 42.059 0.093 0.000 0.922 86 L HN 0.634 nan 8.230 nan 0.000 0.443 87 C N -1.140 117.804 119.300 -0.592 0.000 2.409 87 C HA -0.022 4.439 4.460 0.002 0.000 0.284 87 C C 2.709 177.447 174.990 -0.421 0.000 1.354 87 C CA 0.297 58.615 59.018 -1.166 0.000 1.787 87 C CB -2.208 24.886 27.740 -1.077 0.000 1.900 87 C HN 0.558 nan 8.230 nan 0.000 0.520 88 A N -0.171 122.551 122.820 -0.164 0.000 2.216 88 A HA -0.073 4.248 4.320 0.002 0.000 0.214 88 A C 2.218 179.788 177.584 -0.023 0.000 1.160 88 A CA 1.158 53.169 52.037 -0.044 0.000 0.725 88 A CB -0.600 18.458 19.000 0.097 0.000 0.784 88 A HN 0.823 nan 8.150 nan 0.000 0.472 89 Q N -0.477 119.305 119.800 -0.029 0.000 2.319 89 Q HA 0.110 4.451 4.340 0.002 0.000 0.202 89 Q C 0.235 176.260 176.000 0.042 0.000 0.896 89 Q CA -0.138 55.678 55.803 0.021 0.000 0.942 89 Q CB 0.278 29.043 28.738 0.044 0.000 1.083 89 Q HN 0.466 nan 8.270 nan 0.000 0.510 90 S N 0.834 116.548 115.700 0.024 0.000 2.430 90 S HA 0.049 4.520 4.470 0.002 0.000 0.282 90 S C 0.889 175.521 174.600 0.053 0.000 1.186 90 S CA -0.267 57.982 58.200 0.082 0.000 1.060 90 S CB 0.494 63.764 63.200 0.116 0.000 0.966 90 S HN 0.206 nan 8.310 nan 0.000 0.501 91 Q N 2.442 122.277 119.800 0.058 0.000 2.384 91 Q HA 0.145 4.486 4.340 0.002 0.000 0.207 91 Q C 0.286 176.310 176.000 0.040 0.000 0.904 91 Q CA 0.320 56.149 55.803 0.044 0.000 0.933 91 Q CB 0.234 29.000 28.738 0.047 0.000 1.077 91 Q HN 0.767 nan 8.270 nan 0.000 0.522 92 Q N 1.090 120.918 119.800 0.047 0.000 2.309 92 Q HA 0.240 4.581 4.340 0.002 0.000 0.264 92 Q C -1.328 174.699 176.000 0.045 0.000 1.008 92 Q CA -0.397 55.430 55.803 0.039 0.000 0.853 92 Q CB 1.354 30.112 28.738 0.034 0.000 1.314 92 Q HN -0.172 nan 8.270 nan 0.000 0.448 93 D N 1.693 122.114 120.400 0.035 0.000 2.313 93 D HA 0.481 5.122 4.640 0.002 0.000 0.247 93 D C -0.062 176.259 176.300 0.036 0.000 1.094 93 D CA 0.153 54.174 54.000 0.035 0.000 0.925 93 D CB 1.307 42.122 40.800 0.025 0.000 1.188 93 D HN 0.682 nan 8.370 nan 0.000 0.430 94 G N 0.288 109.112 108.800 0.040 0.000 2.557 94 G HA2 0.404 4.365 3.960 0.002 0.000 0.302 94 G HA3 0.404 4.365 3.960 0.002 0.000 0.302 94 G C -1.479 173.438 174.900 0.028 0.000 1.311 94 G CA -0.728 44.394 45.100 0.037 0.000 1.030 94 G HN 0.342 nan 8.290 nan 0.000 0.509 95 P HA 0.125 nan 4.420 nan 0.000 0.240 95 P C 0.455 177.767 177.300 0.020 0.000 1.190 95 P CA -0.000 63.112 63.100 0.020 0.000 0.781 95 P CB 0.107 31.819 31.700 0.019 0.000 0.931 96 C N 0.863 120.178 119.300 0.025 0.000 2.580 96 C HA 0.567 5.028 4.460 0.002 0.000 0.371 96 C C 1.050 176.050 174.990 0.017 0.000 1.308 96 C CA 0.190 59.222 59.018 0.022 0.000 2.428 96 C CB 0.615 28.372 27.740 0.028 0.000 2.529 96 C HN 0.420 nan 8.230 nan 0.000 0.657 97 T N -2.316 112.245 114.554 0.013 0.000 2.821 97 T HA 0.391 4.742 4.350 0.002 0.000 0.306 97 T C -2.543 172.161 174.700 0.006 0.000 1.313 97 T CA -0.940 61.165 62.100 0.008 0.000 1.012 97 T CB 1.198 70.069 68.868 0.006 0.000 1.298 97 T HN 0.267 nan 8.240 nan 0.000 0.502 98 P HA -0.003 nan 4.420 nan 0.000 0.218 98 P C 1.551 178.852 177.300 0.001 0.000 1.148 98 P CA 0.709 63.810 63.100 0.001 0.000 0.822 98 P CB 0.120 31.819 31.700 -0.002 0.000 0.784 99 R N 0.061 120.562 120.500 0.001 0.000 2.073 99 R HA -0.045 4.296 4.340 0.002 0.000 0.229 99 R C 0.685 176.985 176.300 0.000 0.000 1.120 99 R CA 0.938 57.038 56.100 -0.000 0.000 0.967 99 R CB 0.096 30.396 30.300 -0.000 0.000 0.862 99 R HN 0.067 nan 8.270 nan 0.000 0.436 100 R N 0.244 120.746 120.500 0.002 0.000 2.584 100 R HA 0.188 4.529 4.340 0.002 0.000 0.276 100 R C -1.810 174.494 176.300 0.006 0.000 1.046 100 R CA -0.687 55.415 56.100 0.003 0.000 0.906 100 R CB 0.460 30.762 30.300 0.003 0.000 1.215 100 R HN 0.128 nan 8.270 nan 0.000 0.449 101 C N 4.520 123.823 119.300 0.006 0.000 2.347 101 C HA 0.507 4.968 4.460 0.002 0.000 0.353 101 C C 0.783 175.782 174.990 0.016 0.000 1.273 101 C CA -0.596 58.429 59.018 0.011 0.000 1.861 101 C CB -0.912 26.832 27.740 0.005 0.000 2.420 101 C HN 0.812 nan 8.230 nan 0.000 0.542 102 L N 5.769 127.005 121.223 0.022 0.000 3.110 102 L HA 0.281 4.622 4.340 0.002 0.000 0.266 102 L C 2.015 178.909 176.870 0.040 0.000 1.257 102 L CA 0.169 55.025 54.840 0.027 0.000 1.038 102 L CB 0.013 42.086 42.059 0.022 0.000 1.395 102 L HN 1.036 nan 8.230 nan 0.000 0.566 103 G N 0.020 108.847 108.800 0.046 0.000 2.535 103 G HA2 -0.239 3.722 3.960 0.002 0.000 0.218 103 G HA3 -0.239 3.722 3.960 0.002 0.000 0.218 103 G C 1.511 176.473 174.900 0.103 0.000 1.122 103 G CA 1.095 46.234 45.100 0.065 0.000 0.769 103 G HN 0.510 nan 8.290 nan 0.000 0.549 104 S N -0.644 115.119 115.700 0.104 0.000 2.575 104 S HA 0.325 4.796 4.470 0.002 0.000 0.215 104 S C 0.614 175.305 174.600 0.152 0.000 0.966 104 S CA -0.516 57.774 58.200 0.150 0.000 0.911 104 S CB 0.029 63.297 63.200 0.114 0.000 0.780 104 S HN -0.029 nan 8.310 nan 0.000 0.514 105 L N 2.543 123.828 121.223 0.103 0.000 2.410 105 L HA 0.227 4.568 4.340 0.002 0.000 0.273 105 L C 1.363 178.295 176.870 0.103 0.000 1.144 105 L CA 0.191 55.080 54.840 0.082 0.000 0.863 105 L CB 0.771 42.855 42.059 0.041 0.000 1.140 105 L HN 0.021 nan 8.230 nan 0.000 0.463 106 V N 4.098 124.086 119.914 0.123 0.000 2.427 106 V HA -0.099 4.022 4.120 0.002 0.000 0.248 106 V C 0.849 176.908 176.094 -0.058 0.000 1.051 106 V CA 1.223 63.610 62.300 0.145 0.000 1.048 106 V CB -0.421 31.512 31.823 0.182 0.000 0.666 106 V HN 0.484 nan 8.190 nan 0.000 0.456 107 L N 0.358 121.528 121.223 -0.088 0.000 2.323 107 L HA 0.510 4.851 4.340 0.002 0.000 0.265 107 L C -2.481 174.357 176.870 -0.054 0.000 1.012 107 L CA -1.755 52.993 54.840 -0.153 0.000 0.820 107 L CB 2.065 44.004 42.059 -0.200 0.000 1.334 107 L HN 0.039 nan 8.230 nan 0.000 0.427 108 P HA 0.309 nan 4.420 nan 0.000 0.285 108 P C -0.706 176.588 177.300 -0.010 0.000 1.259 108 P CA -0.707 62.392 63.100 -0.001 0.000 0.794 108 P CB 1.530 33.244 31.700 0.022 0.000 0.940 120 P HA 0.279 nan 4.420 nan 0.000 0.271 120 P C -2.449 174.858 177.300 0.011 0.000 1.220 120 P CA -0.844 62.258 63.100 0.003 0.000 0.768 120 P CB -0.494 31.206 31.700 -0.001 0.000 0.848 121 P HA -0.118 nan 4.420 nan 0.000 0.252 121 P C 1.146 178.458 177.300 0.019 0.000 1.147 121 P CA 0.541 63.649 63.100 0.014 0.000 0.779 121 P CB -0.049 31.658 31.700 0.011 0.000 0.733 122 A N 4.320 127.153 122.820 0.021 0.000 1.985 122 A HA -0.331 3.990 4.320 0.002 0.000 0.223 122 A C 2.167 179.763 177.584 0.021 0.000 1.189 122 A CA 2.277 54.329 52.037 0.025 0.000 0.658 122 A CB -0.959 18.055 19.000 0.023 0.000 0.820 122 A HN 0.619 nan 8.150 nan 0.000 0.464 123 E N -1.000 119.210 120.200 0.017 0.000 2.051 123 E HA -0.275 4.076 4.350 0.002 0.000 0.192 123 E C 2.272 178.883 176.600 0.018 0.000 0.991 123 E CA 1.439 57.848 56.400 0.014 0.000 0.799 123 E CB -0.195 29.511 29.700 0.011 0.000 0.748 123 E HN 0.803 nan 8.360 nan 0.000 0.449 124 Q N 0.105 119.917 119.800 0.020 0.000 2.046 124 Q HA -0.174 4.167 4.340 0.002 0.000 0.200 124 Q C 2.409 178.429 176.000 0.034 0.000 0.975 124 Q CA 1.277 57.095 55.803 0.024 0.000 0.836 124 Q CB -0.113 28.638 28.738 0.021 0.000 0.896 124 Q HN 0.339 nan 8.270 nan 0.000 0.428 125 L N 0.677 121.923 121.223 0.039 0.000 2.012 125 L HA -0.188 4.153 4.340 0.002 0.000 0.210 125 L C 2.184 179.089 176.870 0.058 0.000 1.073 125 L CA 1.523 56.401 54.840 0.063 0.000 0.748 125 L CB -0.711 41.392 42.059 0.074 0.000 0.891 125 L HN 0.361 nan 8.230 nan 0.000 0.431 126 L N -0.600 120.639 121.223 0.027 0.000 2.079 126 L HA -0.217 4.124 4.340 0.002 0.000 0.210 126 L C 2.641 179.511 176.870 -0.001 0.000 1.081 126 L CA 2.177 57.012 54.840 -0.009 0.000 0.752 126 L CB -0.651 41.403 42.059 -0.008 0.000 0.896 126 L HN 0.606 nan 8.230 nan 0.000 0.433 127 S N -2.024 113.689 115.700 0.023 0.000 2.395 127 S HA -0.169 4.302 4.470 0.002 0.000 0.225 127 S C 1.857 176.495 174.600 0.062 0.000 1.027 127 S CA 0.740 58.960 58.200 0.034 0.000 0.965 127 S CB -0.536 62.683 63.200 0.032 0.000 0.812 127 S HN 0.578 nan 8.310 nan 0.000 0.482 128 Q N 1.228 121.072 119.800 0.075 0.000 2.124 128 Q HA 0.037 4.378 4.340 0.002 0.000 0.202 128 Q C 2.525 178.627 176.000 0.171 0.000 0.977 128 Q CA 1.355 57.226 55.803 0.113 0.000 0.850 128 Q CB -0.479 28.319 28.738 0.100 0.000 0.901 128 Q HN 0.749 nan 8.270 nan 0.000 0.429 129 A N 1.155 124.049 122.820 0.123 0.000 1.872 129 A HA -0.160 4.161 4.320 0.002 0.000 0.214 129 A C 1.991 179.637 177.584 0.104 0.000 1.187 129 A CA 1.015 53.110 52.037 0.096 0.000 0.614 129 A CB -0.327 18.505 19.000 -0.280 0.000 0.826 129 A HN 0.176 nan 8.150 nan 0.000 0.442 130 R N -0.434 120.095 120.500 0.049 0.000 2.082 130 R HA -0.205 4.136 4.340 0.002 0.000 0.234 130 R C 2.106 178.474 176.300 0.112 0.000 1.136 130 R CA 1.869 58.008 56.100 0.066 0.000 0.935 130 R CB -0.655 29.671 30.300 0.044 0.000 0.842 130 R HN 0.690 nan 8.270 nan 0.000 0.430 131 D N 0.026 120.498 120.400 0.120 0.000 2.133 131 D HA -0.249 4.392 4.640 0.002 0.000 0.192 131 D C 1.676 178.072 176.300 0.160 0.000 1.001 131 D CA 1.507 55.586 54.000 0.131 0.000 0.844 131 D CB -0.159 40.721 40.800 0.133 0.000 0.944 131 D HN 0.183 nan 8.370 nan 0.000 0.447 132 F N 0.540 120.567 119.950 0.129 0.000 2.146 132 F HA -0.050 4.478 4.527 0.002 0.000 0.298 132 F C 1.993 177.915 175.800 0.203 0.000 1.096 132 F CA 0.978 59.087 58.000 0.181 0.000 1.275 132 F CB -0.198 38.912 39.000 0.184 0.000 1.008 132 F HN 0.008 nan 8.300 nan 0.000 0.480 133 I N 0.791 121.312 120.570 -0.081 0.000 2.394 133 I HA -0.261 3.910 4.170 0.002 0.000 0.251 133 I C 1.927 177.980 176.117 -0.105 0.000 1.136 133 I CA 1.009 62.247 61.300 -0.102 0.000 1.425 133 I CB -1.553 36.515 38.000 0.113 0.000 1.079 133 I HN 0.232 nan 8.210 nan 0.000 0.425 134 N N 0.877 119.575 118.700 -0.004 0.000 2.142 134 N HA -0.174 4.567 4.740 0.002 0.000 0.186 134 N C 1.837 177.294 175.510 -0.089 0.000 1.023 134 N CA 1.057 54.131 53.050 0.039 0.000 0.852 134 N CB -0.275 38.293 38.487 0.135 0.000 0.998 134 N HN 0.478 nan 8.380 nan 0.000 0.424 135 Q N -0.377 119.363 119.800 -0.100 0.000 2.061 135 Q HA -0.198 4.143 4.340 0.002 0.000 0.204 135 Q C 1.870 177.637 176.000 -0.388 0.000 0.984 135 Q CA 1.460 57.211 55.803 -0.087 0.000 0.846 135 Q CB -0.306 28.501 28.738 0.115 0.000 0.902 135 Q HN 0.451 nan 8.270 nan 0.000 0.421 136 Y N -0.029 119.793 120.300 -0.797 0.000 2.128 136 Y HA -0.308 4.243 4.550 0.002 0.000 0.284 136 Y C 1.738 177.079 175.900 -0.932 0.000 1.154 136 Y CA 1.690 59.035 58.100 -1.257 0.000 1.149 136 Y CB -0.479 37.350 38.460 -1.052 0.000 0.976 136 Y HN 0.117 nan 8.280 nan 0.000 0.505 137 Y N -0.221 119.609 120.300 -0.783 0.000 2.242 137 Y HA -0.203 4.348 4.550 0.002 0.000 0.291 137 Y C 2.741 178.326 175.900 -0.524 0.000 1.137 137 Y CA 1.707 59.368 58.100 -0.732 0.000 1.181 137 Y CB -0.432 37.554 38.460 -0.791 0.000 0.989 137 Y HN 0.095 nan 8.280 nan 0.000 0.527 138 S N -0.585 114.948 115.700 -0.278 0.000 2.382 138 S HA -0.248 4.223 4.470 0.002 0.000 0.228 138 S C 2.265 176.718 174.600 -0.245 0.000 1.027 138 S CA 1.297 59.396 58.200 -0.169 0.000 0.991 138 S CB -0.736 62.410 63.200 -0.091 0.000 0.823 138 S HN 0.630 nan 8.310 nan 0.000 0.469 139 S N 2.869 118.314 115.700 -0.425 0.000 2.370 139 S HA -0.137 4.334 4.470 0.002 0.000 0.226 139 S C 1.655 176.036 174.600 -0.365 0.000 1.033 139 S CA 1.433 59.395 58.200 -0.397 0.000 1.011 139 S CB -0.821 61.915 63.200 -0.773 0.000 0.852 139 S HN 0.725 nan 8.310 nan 0.000 0.457 140 I N -2.173 118.079 120.570 -0.530 0.000 3.861 140 I HA 0.432 4.603 4.170 0.002 0.000 0.329 140 I C -0.215 175.767 176.117 -0.225 0.000 1.321 140 I CA -0.687 60.383 61.300 -0.383 0.000 1.126 140 I CB -0.661 37.024 38.000 -0.525 0.000 1.018 140 I HN 0.017 nan 8.210 nan 0.000 0.407 141 K N 2.213 122.506 120.400 -0.179 0.000 3.939 141 K HA -0.163 4.158 4.320 0.002 0.000 0.281 141 K C 0.011 176.584 176.600 -0.044 0.000 0.981 141 K CA 0.489 56.722 56.287 -0.089 0.000 0.833 141 K CB -1.225 31.235 32.500 -0.065 0.000 1.501 141 K HN 0.614 nan 8.250 nan 0.000 0.445 142 R N -0.282 120.218 120.500 -0.001 0.000 2.508 142 R HA 0.065 4.406 4.340 0.002 0.000 0.420 142 R C -0.259 176.123 176.300 0.137 0.000 0.866 142 R CA -0.257 55.892 56.100 0.083 0.000 1.103 142 R CB 1.096 31.499 30.300 0.171 0.000 1.657 142 R HN 0.237 nan 8.270 nan 0.000 0.562 143 S N -0.434 115.342 115.700 0.125 0.000 2.566 143 S HA 0.211 4.682 4.470 0.002 0.000 0.280 143 S C 1.564 176.255 174.600 0.152 0.000 1.343 143 S CA 1.750 60.106 58.200 0.261 0.000 1.036 143 S CB 0.677 63.958 63.200 0.135 0.000 0.866 143 S HN 0.657 nan 8.310 nan 0.000 0.526 144 G N 2.357 111.185 108.800 0.047 0.000 2.451 144 G HA2 -0.377 3.584 3.960 0.002 0.000 0.253 144 G HA3 -0.377 3.584 3.960 0.002 0.000 0.253 144 G C 0.643 175.469 174.900 -0.124 0.000 1.033 144 G CA 1.306 46.313 45.100 -0.154 0.000 0.633 144 G HN 1.782 nan 8.290 nan 0.000 0.537 145 S N -0.100 115.574 115.700 -0.044 0.000 2.737 145 S HA 0.114 4.585 4.470 0.002 0.000 0.249 145 S C 1.543 176.091 174.600 -0.087 0.000 1.415 145 S CA 1.313 59.484 58.200 -0.047 0.000 0.967 145 S CB 0.494 63.690 63.200 -0.007 0.000 0.937 145 S HN 1.015 nan 8.310 nan 0.000 0.574 146 Q N 0.796 120.559 119.800 -0.060 0.000 1.965 146 Q HA -0.038 4.303 4.340 0.002 0.000 0.200 146 Q C 2.401 178.349 176.000 -0.086 0.000 0.981 146 Q CA 1.447 57.213 55.803 -0.063 0.000 0.834 146 Q CB -1.064 27.657 28.738 -0.030 0.000 0.900 146 Q HN 0.930 nan 8.270 nan 0.000 0.426 147 A N 0.572 123.356 122.820 -0.060 0.000 1.971 147 A HA -0.338 3.983 4.320 0.002 0.000 0.222 147 A C 1.926 179.320 177.584 -0.317 0.000 1.182 147 A CA 2.127 54.132 52.037 -0.053 0.000 0.649 147 A CB -1.355 17.721 19.000 0.127 0.000 0.818 147 A HN 0.787 nan 8.150 nan 0.000 0.458 148 H N -0.901 117.698 119.070 -0.785 0.000 2.293 148 H HA -0.115 4.442 4.556 0.002 0.000 0.300 148 H C 2.187 177.239 175.328 -0.460 0.000 1.082 148 H CA 1.461 56.848 56.048 -1.101 0.000 1.308 148 H CB 0.019 29.268 29.762 -0.855 0.000 1.375 148 H HN 0.633 nan 8.280 nan 0.000 0.495 149 E N 0.258 120.342 120.200 -0.194 0.000 2.077 149 E HA -0.184 4.167 4.350 0.002 0.000 0.193 149 E C 2.206 178.759 176.600 -0.078 0.000 0.989 149 E CA 1.224 57.527 56.400 -0.161 0.000 0.800 149 E CB 0.024 29.632 29.700 -0.153 0.000 0.746 149 E HN 0.637 nan 8.360 nan 0.000 0.452 150 E N 0.389 120.551 120.200 -0.063 0.000 2.077 150 E HA -0.203 4.148 4.350 0.002 0.000 0.193 150 E C 2.157 178.765 176.600 0.013 0.000 0.989 150 E CA 0.717 57.106 56.400 -0.018 0.000 0.800 150 E CB -0.003 29.695 29.700 -0.003 0.000 0.746 150 E HN -0.053 nan 8.360 nan 0.000 0.452 151 R N 1.304 121.819 120.500 0.025 0.000 2.081 151 R HA -0.089 4.252 4.340 0.002 0.000 0.235 151 R C 2.086 178.431 176.300 0.075 0.000 1.131 151 R CA 1.182 57.339 56.100 0.095 0.000 0.960 151 R CB -0.703 29.722 30.300 0.208 0.000 0.856 151 R HN 0.162 nan 8.270 nan 0.000 0.436 152 L N 0.325 121.583 121.223 0.058 0.000 2.079 152 L HA -0.214 4.127 4.340 0.002 0.000 0.210 152 L C 2.544 179.412 176.870 -0.002 0.000 1.081 152 L CA 1.658 56.517 54.840 0.032 0.000 0.752 152 L CB -0.400 41.672 42.059 0.021 0.000 0.896 152 L HN 0.336 nan 8.230 nan 0.000 0.433 153 Q N -0.397 119.402 119.800 -0.001 0.000 2.046 153 Q HA -0.223 4.118 4.340 0.002 0.000 0.200 153 Q C 2.105 178.111 176.000 0.011 0.000 0.975 153 Q CA 1.452 57.254 55.803 -0.002 0.000 0.836 153 Q CB -0.131 28.606 28.738 -0.002 0.000 0.896 153 Q HN 0.539 nan 8.270 nan 0.000 0.428 154 E N 0.153 120.371 120.200 0.030 0.000 2.049 154 E HA -0.206 4.145 4.350 0.002 0.000 0.198 154 E C 2.137 178.767 176.600 0.049 0.000 1.007 154 E CA 1.693 58.125 56.400 0.053 0.000 0.809 154 E CB -0.111 29.637 29.700 0.081 0.000 0.749 154 E HN 0.138 nan 8.360 nan 0.000 0.450 155 V N 1.129 121.047 119.914 0.007 0.000 2.332 155 V HA -0.276 3.845 4.120 0.002 0.000 0.248 155 V C 2.300 178.337 176.094 -0.094 0.000 1.055 155 V CA 2.133 64.367 62.300 -0.110 0.000 1.038 155 V CB -0.504 31.132 31.823 -0.312 0.000 0.651 155 V HN 0.280 nan 8.190 nan 0.000 0.450 156 E N 0.059 120.225 120.200 -0.056 0.000 2.047 156 E HA -0.168 4.183 4.350 0.002 0.000 0.191 156 E C 2.293 178.896 176.600 0.004 0.000 0.987 156 E CA 1.167 57.548 56.400 -0.032 0.000 0.799 156 E CB -0.291 29.395 29.700 -0.024 0.000 0.752 156 E HN 0.549 nan 8.360 nan 0.000 0.449 157 A N 0.966 123.797 122.820 0.018 0.000 1.908 157 A HA -0.284 4.037 4.320 0.002 0.000 0.218 157 A C 2.054 179.670 177.584 0.053 0.000 1.181 157 A CA 1.911 53.967 52.037 0.033 0.000 0.627 157 A CB -0.608 18.413 19.000 0.036 0.000 0.818 157 A HN 0.374 nan 8.150 nan 0.000 0.445 158 E N -0.597 119.650 120.200 0.078 0.000 2.072 158 E HA -0.099 4.252 4.350 0.002 0.000 0.191 158 E C 1.967 178.637 176.600 0.117 0.000 0.985 158 E CA 1.168 57.641 56.400 0.122 0.000 0.801 158 E CB -0.081 29.741 29.700 0.203 0.000 0.750 158 E HN 0.354 nan 8.360 nan 0.000 0.452 159 V N 1.143 121.114 119.914 0.096 0.000 2.295 159 V HA -0.284 3.837 4.120 0.002 0.000 0.246 159 V C 2.374 178.502 176.094 0.057 0.000 1.049 159 V CA 1.826 64.177 62.300 0.085 0.000 1.024 159 V CB -0.763 31.087 31.823 0.046 0.000 0.648 159 V HN 0.389 nan 8.190 nan 0.000 0.447 160 A N -0.110 122.734 122.820 0.041 0.000 1.883 160 A HA -0.232 4.089 4.320 0.002 0.000 0.217 160 A C 2.472 180.078 177.584 0.036 0.000 1.186 160 A CA 2.569 54.624 52.037 0.031 0.000 0.624 160 A CB -0.756 18.258 19.000 0.023 0.000 0.822 160 A HN 0.539 nan 8.150 nan 0.000 0.444 161 S N -1.059 114.668 115.700 0.044 0.000 2.387 161 S HA -0.072 4.399 4.470 0.002 0.000 0.226 161 S C 1.907 176.537 174.600 0.050 0.000 1.026 161 S CA 1.751 59.978 58.200 0.045 0.000 0.972 161 S CB -0.265 62.963 63.200 0.048 0.000 0.814 161 S HN 0.899 nan 8.310 nan 0.000 0.477 162 T N -2.792 111.800 114.554 0.065 0.000 3.003 162 T HA 0.468 4.819 4.350 0.002 0.000 0.261 162 T C 1.314 176.050 174.700 0.060 0.000 1.003 162 T CA 0.704 62.844 62.100 0.068 0.000 0.917 162 T CB 0.468 69.392 68.868 0.094 0.000 1.084 162 T HN 0.546 nan 8.240 nan 0.000 0.522 163 G N 0.432 109.267 108.800 0.060 0.000 2.153 163 G HA2 -0.132 3.829 3.960 0.002 0.000 0.252 163 G HA3 -0.132 3.829 3.960 0.002 0.000 0.252 163 G C 0.139 175.072 174.900 0.056 0.000 0.994 163 G CA 0.597 45.727 45.100 0.050 0.000 0.698 163 G HN 1.168 nan 8.290 nan 0.000 0.521 164 T N -1.737 112.869 114.554 0.086 0.000 2.686 164 T HA 0.634 4.985 4.350 0.002 0.000 0.308 164 T C -1.030 173.770 174.700 0.167 0.000 1.667 164 T CA 0.363 62.508 62.100 0.076 0.000 0.987 164 T CB 1.114 69.938 68.868 -0.073 0.000 1.652 164 T HN 1.620 nan 8.240 nan 0.000 0.496 165 Y N -0.573 119.651 120.300 -0.126 0.000 2.840 165 Y HA 0.884 5.435 4.550 0.002 0.000 0.324 165 Y C -1.334 174.394 175.900 -0.287 0.000 1.378 165 Y CA -1.195 56.884 58.100 -0.034 0.000 1.077 165 Y CB 0.848 39.335 38.460 0.044 0.000 1.361 165 Y HN 0.786 nan 8.280 nan 0.000 0.459 166 H N 0.156 119.181 119.070 -0.074 0.000 2.865 166 H HA 0.651 5.208 4.556 0.002 0.000 0.372 166 H C -1.068 174.252 175.328 -0.013 0.000 1.173 166 H CA -0.868 55.088 56.048 -0.153 0.000 1.147 166 H CB 1.967 31.715 29.762 -0.025 0.000 1.805 166 H HN 0.677 nan 8.280 nan 0.000 0.553 167 L N 1.681 122.947 121.223 0.072 0.000 2.399 167 L HA 0.490 4.831 4.340 0.002 0.000 0.265 167 L C 0.270 177.196 176.870 0.092 0.000 1.089 167 L CA -1.039 53.871 54.840 0.117 0.000 0.802 167 L CB 0.634 42.724 42.059 0.051 0.000 1.180 167 L HN 0.375 nan 8.230 nan 0.000 0.454 168 R N 1.028 121.560 120.500 0.054 0.000 2.404 168 R HA 0.106 4.447 4.340 0.002 0.000 0.291 168 R C 0.753 177.027 176.300 -0.044 0.000 1.025 168 R CA -0.401 55.702 56.100 0.005 0.000 0.991 168 R CB 1.106 31.394 30.300 -0.021 0.000 1.053 168 R HN 0.667 nan 8.270 nan 0.000 0.479 169 E N 1.597 121.775 120.200 -0.037 0.000 2.108 169 E HA -0.305 4.046 4.350 0.002 0.000 0.203 169 E C 1.320 177.881 176.600 -0.065 0.000 1.022 169 E CA 2.718 59.085 56.400 -0.055 0.000 0.823 169 E CB 0.161 29.837 29.700 -0.040 0.000 0.744 169 E HN 0.687 nan 8.360 nan 0.000 0.456 170 S N 0.115 115.775 115.700 -0.067 0.000 2.359 170 S HA -0.237 4.234 4.470 0.002 0.000 0.224 170 S C 1.860 176.393 174.600 -0.110 0.000 1.035 170 S CA 1.474 59.646 58.200 -0.047 0.000 1.018 170 S CB -0.477 62.715 63.200 -0.013 0.000 0.876 170 S HN 0.378 nan 8.310 nan 0.000 0.448 171 E N 0.902 120.898 120.200 -0.341 0.000 2.110 171 E HA -0.088 4.263 4.350 0.002 0.000 0.193 171 E C 2.050 178.712 176.600 0.104 0.000 0.988 171 E CA 1.145 57.347 56.400 -0.330 0.000 0.804 171 E CB -0.339 29.210 29.700 -0.251 0.000 0.745 171 E HN 0.422 nan 8.360 nan 0.000 0.458 172 L N 0.619 121.829 121.223 -0.022 0.000 2.046 172 L HA -0.154 4.187 4.340 0.002 0.000 0.208 172 L C 2.163 178.990 176.870 -0.072 0.000 1.077 172 L CA 1.348 56.124 54.840 -0.107 0.000 0.747 172 L CB -0.192 41.753 42.059 -0.190 0.000 0.896 172 L HN -0.047 nan 8.230 nan 0.000 0.432 173 V N -0.697 119.208 119.914 -0.015 0.000 2.427 173 V HA -0.277 3.844 4.120 0.002 0.000 0.248 173 V C 2.286 178.454 176.094 0.122 0.000 1.051 173 V CA 1.884 64.190 62.300 0.011 0.000 1.048 173 V CB -0.997 30.833 31.823 0.011 0.000 0.666 173 V HN 0.537 nan 8.190 nan 0.000 0.456 174 F N 2.253 122.267 119.950 0.107 0.000 2.146 174 F HA 0.042 4.570 4.527 0.002 0.000 0.298 174 F C 2.179 178.118 175.800 0.231 0.000 1.096 174 F CA 1.536 59.665 58.000 0.216 0.000 1.275 174 F CB -0.864 38.351 39.000 0.358 0.000 1.008 174 F HN 0.120 nan 8.300 nan 0.000 0.480 175 G N 0.042 108.912 108.800 0.118 0.000 2.421 175 G HA2 -0.250 3.711 3.960 0.002 0.000 0.216 175 G HA3 -0.250 3.711 3.960 0.002 0.000 0.216 175 G C 1.854 176.609 174.900 -0.242 0.000 1.171 175 G CA 1.016 46.060 45.100 -0.094 0.000 0.775 175 G HN 0.631 nan 8.290 nan 0.000 0.543 176 A N 0.959 123.662 122.820 -0.194 0.000 1.865 176 A HA -0.067 4.254 4.320 0.002 0.000 0.217 176 A C 2.301 179.870 177.584 -0.026 0.000 1.191 176 A CA 2.118 54.055 52.037 -0.168 0.000 0.623 176 A CB -0.464 18.466 19.000 -0.117 0.000 0.826 176 A HN 0.383 nan 8.150 nan 0.000 0.444 177 K N -0.785 119.642 120.400 0.044 0.000 2.152 177 K HA -0.158 4.163 4.320 0.002 0.000 0.206 177 K C 2.245 178.905 176.600 0.099 0.000 1.048 177 K CA 1.391 57.810 56.287 0.219 0.000 0.933 177 K CB -0.100 32.571 32.500 0.286 0.000 0.721 177 K HN 0.433 nan 8.250 nan 0.000 0.447 178 Q N -0.141 119.534 119.800 -0.208 0.000 2.137 178 Q HA -0.009 4.332 4.340 0.002 0.000 0.198 178 Q C 2.179 178.037 176.000 -0.237 0.000 0.960 178 Q CA 1.215 56.806 55.803 -0.355 0.000 0.847 178 Q CB -0.134 28.303 28.738 -0.502 0.000 0.915 178 Q HN 0.313 nan 8.270 nan 0.000 0.448 179 A N 0.287 122.976 122.820 -0.217 0.000 1.902 179 A HA -0.186 4.135 4.320 0.002 0.000 0.217 179 A C 1.806 179.439 177.584 0.082 0.000 1.181 179 A CA 1.408 53.281 52.037 -0.273 0.000 0.623 179 A CB -0.893 17.633 19.000 -0.789 0.000 0.818 179 A HN 0.524 nan 8.150 nan 0.000 0.443 180 W N 0.861 122.171 121.300 0.017 0.000 2.409 180 W HA -0.076 4.585 4.660 0.002 0.000 0.299 180 W C 2.316 178.792 176.519 -0.072 0.000 1.203 180 W CA 1.336 58.711 57.345 0.050 0.000 1.298 180 W CB -0.695 28.790 29.460 0.042 0.000 1.127 180 W HN 0.363 nan 8.180 nan 0.000 0.528 181 R N 0.423 120.839 120.500 -0.140 0.000 2.103 181 R HA -0.195 4.146 4.340 0.002 0.000 0.242 181 R C 1.535 177.665 176.300 -0.283 0.000 1.142 181 R CA 1.939 57.723 56.100 -0.526 0.000 0.960 181 R CB -0.626 29.050 30.300 -1.040 0.000 0.858 181 R HN 0.134 nan 8.270 nan 0.000 0.439 182 N N 0.364 118.958 118.700 -0.177 0.000 2.461 182 N HA 0.005 4.746 4.740 0.002 0.000 0.188 182 N C -0.351 175.123 175.510 -0.060 0.000 1.134 182 N CA 0.574 53.550 53.050 -0.123 0.000 0.878 182 N CB 0.466 38.883 38.487 -0.116 0.000 0.972 182 N HN 0.161 nan 8.380 nan 0.000 0.456 183 A N 2.355 125.189 122.820 0.024 0.000 2.489 183 A HA 0.217 4.538 4.320 0.002 0.000 0.289 183 A C -1.180 176.395 177.584 -0.016 0.000 1.216 183 A CA -0.957 51.096 52.037 0.028 0.000 0.883 183 A CB 0.258 19.316 19.000 0.095 0.000 1.110 183 A HN 0.001 nan 8.150 nan 0.000 0.523 184 P HA -0.149 nan 4.420 nan 0.000 0.218 184 P C 1.149 178.405 177.300 -0.073 0.000 1.148 184 P CA 1.216 64.265 63.100 -0.086 0.000 0.822 184 P CB 0.140 31.753 31.700 -0.146 0.000 0.784 185 R N -2.140 118.289 120.500 -0.118 0.000 2.310 185 R HA 0.120 4.461 4.340 0.002 0.000 0.202 185 R C 0.404 176.713 176.300 0.014 0.000 0.933 185 R CA -0.120 55.936 56.100 -0.073 0.000 1.054 185 R CB -0.543 29.576 30.300 -0.301 0.000 0.985 185 R HN 0.199 nan 8.270 nan 0.000 0.489 186 C N 0.368 119.663 119.300 -0.009 0.000 2.347 186 C HA 0.214 4.675 4.460 0.002 0.000 0.353 186 C C 1.822 176.753 174.990 -0.098 0.000 1.273 186 C CA -0.609 58.422 59.018 0.022 0.000 1.861 186 C CB 0.790 28.621 27.740 0.152 0.000 2.420 186 C HN 0.271 nan 8.230 nan 0.000 0.542 187 V N 5.912 125.733 119.914 -0.155 0.000 3.590 187 V HA 0.250 4.371 4.120 0.002 0.000 0.265 187 V C 1.759 177.863 176.094 0.017 0.000 1.239 187 V CA 1.756 63.856 62.300 -0.333 0.000 1.117 187 V CB 0.016 31.645 31.823 -0.323 0.000 0.818 187 V HN 1.081 nan 8.190 nan 0.000 0.451 188 G N -0.475 108.375 108.800 0.083 0.000 3.262 188 G HA2 0.014 3.975 3.960 0.002 0.000 0.228 188 G HA3 0.014 3.975 3.960 0.002 0.000 0.228 188 G C 1.292 176.246 174.900 0.090 0.000 1.197 188 G CA -0.250 44.924 45.100 0.123 0.000 0.819 188 G HN 0.439 nan 8.290 nan 0.000 0.531 189 R N -0.376 120.097 120.500 -0.046 0.000 2.241 189 R HA -0.025 4.316 4.340 0.002 0.000 0.224 189 R C 2.156 178.046 176.300 -0.684 0.000 1.101 189 R CA 0.401 56.184 56.100 -0.528 0.000 0.995 189 R CB -0.233 29.735 30.300 -0.553 0.000 0.870 189 R HN 0.426 nan 8.270 nan 0.000 0.463 190 I N 1.415 121.742 120.570 -0.405 0.000 2.381 190 I HA -0.302 3.869 4.170 0.002 0.000 0.255 190 I C 1.617 177.654 176.117 -0.133 0.000 1.140 190 I CA 1.704 62.929 61.300 -0.126 0.000 1.404 190 I CB 0.016 38.048 38.000 0.054 0.000 1.075 190 I HN 0.129 nan 8.210 nan 0.000 0.433 191 Q N 0.005 119.670 119.800 -0.226 0.000 2.425 191 Q HA -0.107 4.234 4.340 0.002 0.000 0.204 191 Q C 1.801 177.418 176.000 -0.638 0.000 0.933 191 Q CA 0.738 56.393 55.803 -0.247 0.000 0.939 191 Q CB -0.507 28.231 28.738 -0.000 0.000 1.044 191 Q HN 0.860 nan 8.270 nan 0.000 0.513 192 W N 0.373 120.985 121.300 -1.148 0.000 2.303 192 W HA -0.191 4.470 4.660 0.002 0.000 0.287 192 W C 1.101 177.314 176.519 -0.512 0.000 1.213 192 W CA 1.228 57.769 57.345 -1.340 0.000 1.203 192 W CB -1.201 27.680 29.460 -0.964 0.000 1.136 192 W HN 0.079 nan 8.180 nan 0.000 0.547 193 G N 0.988 109.209 108.800 -0.965 0.000 2.623 193 G HA2 -0.142 3.819 3.960 0.002 0.000 0.214 193 G HA3 -0.142 3.819 3.960 0.002 0.000 0.214 193 G C 0.793 175.510 174.900 -0.306 0.000 1.138 193 G CA -0.081 44.510 45.100 -0.848 0.000 0.794 193 G HN 0.232 nan 8.290 nan 0.000 0.535 194 K N 0.411 120.724 120.400 -0.145 0.000 2.290 194 K HA 0.499 4.820 4.320 0.002 0.000 0.250 194 K C -1.598 175.116 176.600 0.190 0.000 1.092 194 K CA -0.632 55.672 56.287 0.029 0.000 1.006 194 K CB 0.263 32.804 32.500 0.068 0.000 1.549 194 K HN 0.081 nan 8.250 nan 0.000 0.436 195 L N 3.149 124.459 121.223 0.145 0.000 2.439 195 L HA 0.317 4.658 4.340 0.002 0.000 0.270 195 L C -1.227 175.630 176.870 -0.022 0.000 0.972 195 L CA -0.436 54.496 54.840 0.153 0.000 0.836 195 L CB 1.864 44.089 42.059 0.277 0.000 1.255 195 L HN 0.428 nan 8.230 nan 0.000 0.404 196 Q N 3.090 122.823 119.800 -0.111 0.000 2.296 196 Q HA 0.495 4.836 4.340 0.002 0.000 0.262 196 Q C -1.496 174.140 176.000 -0.607 0.000 0.981 196 Q CA 0.140 55.694 55.803 -0.414 0.000 0.905 196 Q CB 1.164 29.562 28.738 -0.566 0.000 1.186 196 Q HN 0.540 nan 8.270 nan 0.000 0.399 197 V N 6.403 125.938 119.914 -0.632 0.000 2.357 197 V HA 0.404 4.525 4.120 0.002 0.000 0.284 197 V C -0.873 174.817 176.094 -0.673 0.000 1.018 197 V CA -0.581 61.404 62.300 -0.524 0.000 0.841 197 V CB 0.547 32.207 31.823 -0.272 0.000 0.991 197 V HN 0.636 nan 8.190 nan 0.000 0.437 198 F N 2.728 122.551 119.950 -0.212 0.000 2.391 198 F HA 0.386 4.914 4.527 0.002 0.000 0.359 198 F C 0.499 176.139 175.800 -0.267 0.000 1.122 198 F CA -1.075 56.798 58.000 -0.211 0.000 1.120 198 F CB 0.998 39.886 39.000 -0.187 0.000 1.142 198 F HN 0.411 nan 8.300 nan 0.000 0.483 199 D N 3.189 123.549 120.400 -0.066 0.000 2.365 199 D HA 0.387 5.028 4.640 0.002 0.000 0.237 199 D C 0.105 176.271 176.300 -0.224 0.000 1.190 199 D CA 0.070 53.974 54.000 -0.159 0.000 0.867 199 D CB 1.056 41.798 40.800 -0.097 0.000 1.050 199 D HN 0.612 nan 8.370 nan 0.000 0.491 200 A N 4.558 127.083 122.820 -0.491 0.000 2.637 200 A HA 0.169 4.490 4.320 0.002 0.000 0.293 200 A C 1.536 178.837 177.584 -0.472 0.000 1.216 200 A CA -0.415 51.098 52.037 -0.873 0.000 0.956 200 A CB 0.021 17.918 19.000 -1.838 0.000 1.174 200 A HN 0.542 nan 8.150 nan 0.000 0.525 201 R N 0.997 121.352 120.500 -0.241 0.000 2.328 201 R HA -0.054 4.287 4.340 0.002 0.000 0.207 201 R C -0.023 176.240 176.300 -0.062 0.000 1.056 201 R CA 1.064 57.092 56.100 -0.120 0.000 1.016 201 R CB 0.053 30.337 30.300 -0.027 0.000 0.872 201 R HN 0.645 nan 8.270 nan 0.000 0.471 202 D N -0.202 120.185 120.400 -0.022 0.000 3.179 202 D HA 0.018 4.659 4.640 0.002 0.000 0.267 202 D C -0.780 175.595 176.300 0.126 0.000 1.348 202 D CA -0.350 53.684 54.000 0.058 0.000 0.897 202 D CB -0.265 40.584 40.800 0.081 0.000 1.062 202 D HN -0.062 nan 8.370 nan 0.000 0.494 203 C N 0.877 120.221 119.300 0.073 0.000 2.382 203 C HA 0.611 5.072 4.460 0.002 0.000 0.327 203 C C 1.033 176.153 174.990 0.216 0.000 1.250 203 C CA -0.251 58.866 59.018 0.165 0.000 1.707 203 C CB 0.986 28.786 27.740 0.101 0.000 2.272 203 C HN 0.559 nan 8.230 nan 0.000 0.506 204 S N 1.610 117.485 115.700 0.292 0.000 2.937 204 S HA 0.383 4.854 4.470 0.002 0.000 0.252 204 S C -0.220 174.539 174.600 0.265 0.000 1.022 204 S CA 0.021 58.420 58.200 0.331 0.000 1.079 204 S CB -0.246 63.075 63.200 0.202 0.000 1.035 204 S HN 1.253 nan 8.310 nan 0.000 0.594 205 S N -0.576 115.293 115.700 0.282 0.000 2.578 205 S HA 0.764 5.235 4.470 0.002 0.000 0.272 205 S C 0.764 175.446 174.600 0.136 0.000 1.145 205 S CA -0.368 57.930 58.200 0.163 0.000 0.835 205 S CB 0.789 64.065 63.200 0.126 0.000 1.104 205 S HN 0.627 nan 8.310 nan 0.000 0.458 206 A N 1.156 124.027 122.820 0.085 0.000 1.908 206 A HA -0.136 4.185 4.320 0.002 0.000 0.218 206 A C 2.108 179.627 177.584 -0.108 0.000 1.181 206 A CA 2.430 54.484 52.037 0.029 0.000 0.627 206 A CB -1.275 17.842 19.000 0.194 0.000 0.818 206 A HN 0.981 nan 8.150 nan 0.000 0.445 207 Q N 0.113 119.971 119.800 0.098 0.000 2.135 207 Q HA -0.198 4.143 4.340 0.002 0.000 0.204 207 Q C 1.752 177.765 176.000 0.022 0.000 0.981 207 Q CA 2.397 58.246 55.803 0.077 0.000 0.856 207 Q CB -0.399 28.473 28.738 0.222 0.000 0.902 207 Q HN 0.767 nan 8.270 nan 0.000 0.425 208 E N -0.923 119.319 120.200 0.069 0.000 2.072 208 E HA -0.097 4.254 4.350 0.002 0.000 0.190 208 E C 2.010 178.723 176.600 0.188 0.000 0.982 208 E CA 1.154 57.624 56.400 0.116 0.000 0.803 208 E CB -0.087 29.730 29.700 0.195 0.000 0.755 208 E HN 0.439 nan 8.360 nan 0.000 0.453 209 M N -0.043 119.617 119.600 0.100 0.000 2.108 209 M HA -0.184 4.297 4.480 0.002 0.000 0.261 209 M C 2.185 178.497 176.300 0.020 0.000 1.066 209 M CA 1.467 56.758 55.300 -0.015 0.000 1.107 209 M CB -0.381 31.942 32.600 -0.463 0.000 1.356 209 M HN 0.148 nan 8.290 nan 0.000 0.406 210 F N 1.059 120.791 119.950 -0.364 0.000 2.161 210 F HA -0.227 4.301 4.527 0.002 0.000 0.300 210 F C 2.224 177.915 175.800 -0.182 0.000 1.089 210 F CA 1.792 59.527 58.000 -0.441 0.000 1.282 210 F CB -0.213 38.163 39.000 -1.041 0.000 1.010 210 F HN 0.046 nan 8.300 nan 0.000 0.485 211 T N -0.524 113.872 114.554 -0.264 0.000 2.777 211 T HA -0.209 4.142 4.350 0.002 0.000 0.266 211 T C 1.573 176.090 174.700 -0.304 0.000 1.040 211 T CA 1.766 63.663 62.100 -0.338 0.000 1.141 211 T CB -0.721 68.000 68.868 -0.245 0.000 0.868 211 T HN 0.357 nan 8.240 nan 0.000 0.444 212 Y N 1.056 121.295 120.300 -0.101 0.000 2.128 212 Y HA -0.073 4.478 4.550 0.002 0.000 0.284 212 Y C 2.369 178.221 175.900 -0.080 0.000 1.154 212 Y CA 0.945 59.014 58.100 -0.051 0.000 1.149 212 Y CB -0.354 38.210 38.460 0.174 0.000 0.976 212 Y HN 0.132 nan 8.280 nan 0.000 0.505 213 I N -1.363 119.291 120.570 0.140 0.000 2.208 213 I HA -0.392 3.779 4.170 0.002 0.000 0.245 213 I C 2.368 178.405 176.117 -0.134 0.000 1.097 213 I CA 1.070 62.381 61.300 0.017 0.000 1.363 213 I CB -0.532 37.462 38.000 -0.011 0.000 1.051 213 I HN 0.372 nan 8.210 nan 0.000 0.413 214 C N 0.777 119.871 119.300 -0.343 0.000 2.429 214 C HA -0.145 4.316 4.460 0.002 0.000 0.277 214 C C 2.622 177.505 174.990 -0.177 0.000 1.262 214 C CA 0.904 59.726 59.018 -0.328 0.000 1.733 214 C CB -1.377 26.065 27.740 -0.496 0.000 2.010 214 C HN 0.551 nan 8.230 nan 0.000 0.483 215 N N -0.295 118.287 118.700 -0.196 0.000 2.188 215 N HA -0.133 4.608 4.740 0.002 0.000 0.184 215 N C 1.440 176.851 175.510 -0.165 0.000 1.018 215 N CA 1.329 54.257 53.050 -0.203 0.000 0.858 215 N CB -0.748 37.553 38.487 -0.310 0.000 0.989 215 N HN 0.758 nan 8.380 nan 0.000 0.426 216 H N 0.809 119.732 119.070 -0.244 0.000 2.293 216 H HA 0.035 4.592 4.556 0.002 0.000 0.300 216 H C 2.194 177.550 175.328 0.046 0.000 1.082 216 H CA 1.546 57.531 56.048 -0.106 0.000 1.308 216 H CB -0.040 29.711 29.762 -0.018 0.000 1.375 216 H HN 0.062 nan 8.280 nan 0.000 0.495 217 I N 0.783 121.498 120.570 0.241 0.000 2.163 217 I HA -0.303 3.868 4.170 0.002 0.000 0.243 217 I C 2.421 178.608 176.117 0.117 0.000 1.085 217 I CA 1.625 63.026 61.300 0.168 0.000 1.347 217 I CB -0.275 37.750 38.000 0.041 0.000 1.044 217 I HN 0.332 nan 8.210 nan 0.000 0.408 218 K N -0.214 120.220 120.400 0.057 0.000 2.063 218 K HA -0.256 4.065 4.320 0.002 0.000 0.208 218 K C 2.205 178.841 176.600 0.059 0.000 1.048 218 K CA 1.904 58.212 56.287 0.036 0.000 0.928 218 K CB -0.416 32.087 32.500 0.004 0.000 0.713 218 K HN 0.305 nan 8.250 nan 0.000 0.442 219 Y N 1.210 121.512 120.300 0.004 0.000 2.153 219 Y HA -0.174 4.377 4.550 0.002 0.000 0.289 219 Y C 2.280 178.231 175.900 0.085 0.000 1.127 219 Y CA 1.432 59.562 58.100 0.050 0.000 1.131 219 Y CB -0.337 38.178 38.460 0.092 0.000 0.995 219 Y HN 0.025 nan 8.280 nan 0.000 0.505 220 A N -0.648 122.296 122.820 0.206 0.000 1.933 220 A HA -0.167 4.154 4.320 0.002 0.000 0.218 220 A C 2.172 179.802 177.584 0.077 0.000 1.175 220 A CA 2.254 54.389 52.037 0.165 0.000 0.628 220 A CB -1.296 17.880 19.000 0.293 0.000 0.814 220 A HN 0.528 nan 8.150 nan 0.000 0.444 221 T N -0.419 114.181 114.554 0.075 0.000 2.777 221 T HA -0.113 4.238 4.350 0.002 0.000 0.266 221 T C 1.062 175.758 174.700 -0.006 0.000 1.040 221 T CA 0.927 63.062 62.100 0.058 0.000 1.141 221 T CB -0.568 68.336 68.868 0.060 0.000 0.868 221 T HN 0.750 nan 8.240 nan 0.000 0.444 222 N N 0.956 119.616 118.700 -0.067 0.000 2.708 222 N HA -0.294 4.447 4.740 0.002 0.000 0.251 222 N C -0.661 174.814 175.510 -0.059 0.000 1.017 222 N CA 0.147 53.136 53.050 -0.103 0.000 0.742 222 N CB -0.544 37.842 38.487 -0.170 0.000 0.943 222 N HN 0.413 nan 8.380 nan 0.000 0.539 223 R N -2.366 118.113 120.500 -0.034 0.000 3.531 223 R HA -0.216 4.125 4.340 0.002 0.000 0.280 223 R C 1.136 177.416 176.300 -0.033 0.000 1.130 223 R CA 0.907 56.989 56.100 -0.030 0.000 0.757 223 R CB -2.116 28.163 30.300 -0.035 0.000 1.218 223 R HN 0.780 nan 8.270 nan 0.000 0.454 224 G N -0.422 108.366 108.800 -0.020 0.000 2.217 224 G HA2 -0.358 3.603 3.960 0.002 0.000 0.246 224 G HA3 -0.358 3.603 3.960 0.002 0.000 0.246 224 G C -0.021 174.864 174.900 -0.026 0.000 0.990 224 G CA 0.212 45.300 45.100 -0.020 0.000 0.627 224 G HN 0.428 nan 8.290 nan 0.000 0.522 225 N N 1.023 119.697 118.700 -0.043 0.000 3.301 225 N HA 0.486 5.227 4.740 0.002 0.000 0.289 225 N C 0.532 176.011 175.510 -0.052 0.000 1.343 225 N CA -0.609 52.398 53.050 -0.072 0.000 1.136 225 N CB -0.198 38.242 38.487 -0.078 0.000 1.402 225 N HN 0.166 nan 8.380 nan 0.000 0.516 226 L N 1.363 122.588 121.223 0.003 0.000 2.573 226 L HA 0.010 4.351 4.340 0.002 0.000 0.290 226 L C 0.775 177.764 176.870 0.199 0.000 1.247 226 L CA 1.133 56.051 54.840 0.131 0.000 0.876 226 L CB -0.047 42.186 42.059 0.291 0.000 1.123 226 L HN 0.358 nan 8.230 nan 0.000 0.505 227 R N 1.211 121.847 120.500 0.226 0.000 2.532 227 R HA 0.412 4.753 4.340 0.002 0.000 0.297 227 R C -0.641 175.851 176.300 0.319 0.000 0.984 227 R CA -0.645 55.621 56.100 0.276 0.000 0.884 227 R CB 1.631 31.962 30.300 0.051 0.000 1.182 227 R HN 0.593 nan 8.270 nan 0.000 0.442 228 S N 1.768 117.661 115.700 0.323 0.000 2.498 228 S HA 0.382 4.853 4.470 0.002 0.000 0.281 228 S C -0.194 174.469 174.600 0.106 0.000 1.265 228 S CA -0.309 57.961 58.200 0.117 0.000 1.071 228 S CB 1.019 64.235 63.200 0.028 0.000 0.894 228 S HN 0.677 nan 8.310 nan 0.000 0.491 229 A N 3.312 126.162 122.820 0.049 0.000 2.556 229 A HA 0.864 5.185 4.320 0.002 0.000 0.294 229 A C -1.016 176.597 177.584 0.048 0.000 1.091 229 A CA -0.723 51.280 52.037 -0.057 0.000 0.704 229 A CB 1.293 20.193 19.000 -0.165 0.000 1.300 229 A HN 0.793 nan 8.150 nan 0.000 0.406 230 I N 0.293 120.869 120.570 0.010 0.000 2.769 230 I HA 0.647 4.818 4.170 0.002 0.000 0.298 230 I C -1.106 175.110 176.117 0.166 0.000 1.128 230 I CA -0.216 61.206 61.300 0.204 0.000 1.031 230 I CB 2.508 40.583 38.000 0.125 0.000 1.235 230 I HN 0.628 nan 8.210 nan 0.000 0.423 231 T N 5.804 120.483 114.554 0.210 0.000 2.841 231 T HA 0.480 4.831 4.350 0.002 0.000 0.285 231 T C -0.925 173.573 174.700 -0.336 0.000 0.991 231 T CA -0.385 61.695 62.100 -0.033 0.000 0.966 231 T CB 1.763 70.595 68.868 -0.060 0.000 0.962 231 T HN 0.240 nan 8.240 nan 0.000 0.438 232 V N 4.685 124.314 119.914 -0.474 0.000 2.357 232 V HA 0.525 4.646 4.120 0.002 0.000 0.284 232 V C -0.603 175.149 176.094 -0.571 0.000 1.018 232 V CA -0.795 61.240 62.300 -0.442 0.000 0.841 232 V CB 0.401 31.961 31.823 -0.439 0.000 0.991 232 V HN 0.728 nan 8.190 nan 0.000 0.437 233 F N 4.809 124.674 119.950 -0.141 0.000 2.364 233 F HA 0.532 5.060 4.527 0.002 0.000 0.316 233 F C -1.879 173.799 175.800 -0.203 0.000 1.133 233 F CA -2.558 55.276 58.000 -0.276 0.000 1.051 233 F CB 0.189 39.018 39.000 -0.285 0.000 1.342 233 F HN 0.282 nan 8.300 nan 0.000 0.507 234 P HA -0.024 nan 4.420 nan 0.000 0.262 234 P C -0.933 176.351 177.300 -0.027 0.000 1.182 234 P CA -0.013 62.957 63.100 -0.216 0.000 0.761 234 P CB 0.119 31.480 31.700 -0.564 0.000 0.795 235 Q N 3.906 123.655 119.800 -0.084 0.000 2.540 235 Q HA 0.070 4.411 4.340 0.002 0.000 0.256 235 Q C -0.175 175.710 176.000 -0.191 0.000 1.084 235 Q CA -0.106 55.413 55.803 -0.475 0.000 0.956 235 Q CB 0.502 28.725 28.738 -0.858 0.000 1.303 235 Q HN 0.359 nan 8.270 nan 0.000 0.509 236 R N -0.053 120.310 120.500 -0.228 0.000 2.679 236 R HA 0.511 4.852 4.340 0.002 0.000 0.269 236 R C -0.707 175.536 176.300 -0.095 0.000 1.076 236 R CA 0.197 56.247 56.100 -0.084 0.000 1.160 236 R CB 0.607 30.851 30.300 -0.094 0.000 1.054 236 R HN 0.739 nan 8.270 nan 0.000 0.507 237 A N 2.415 125.217 122.820 -0.031 0.000 2.427 237 A HA 0.435 4.756 4.320 0.002 0.000 0.298 237 A C -2.526 175.050 177.584 -0.013 0.000 1.036 237 A CA -1.861 50.161 52.037 -0.024 0.000 0.701 237 A CB 1.342 20.354 19.000 0.020 0.000 1.250 237 A HN 0.408 nan 8.150 nan 0.000 0.412 238 P HA 0.166 nan 4.420 nan 0.000 0.257 238 P C 0.841 178.142 177.300 0.001 0.000 1.153 238 P CA 2.424 65.519 63.100 -0.008 0.000 0.762 238 P CB 0.217 31.914 31.700 -0.004 0.000 0.743 239 G N 3.121 111.921 108.800 0.001 0.000 2.274 239 G HA2 -0.218 3.743 3.960 0.002 0.000 0.251 239 G HA3 -0.218 3.743 3.960 0.002 0.000 0.251 239 G C -0.200 174.704 174.900 0.006 0.000 0.836 239 G CA 0.123 45.225 45.100 0.004 0.000 1.246 239 G HN 0.839 nan 8.290 nan 0.000 0.355 240 R N 0.718 121.220 120.500 0.003 0.000 4.920 240 R HA 0.358 4.699 4.340 0.002 0.000 0.241 240 R C 0.565 176.862 176.300 -0.006 0.000 0.971 240 R CA -0.120 55.980 56.100 -0.001 0.000 1.351 240 R CB -0.170 30.135 30.300 0.009 0.000 1.208 240 R HN 1.437 nan 8.270 nan 0.000 0.653 241 G N 2.393 111.181 108.800 -0.021 0.000 2.559 241 G HA2 0.075 4.036 3.960 0.002 0.000 0.235 241 G HA3 0.075 4.036 3.960 0.002 0.000 0.235 241 G C -0.316 174.570 174.900 -0.024 0.000 1.266 241 G CA -0.193 44.896 45.100 -0.019 0.000 0.847 241 G HN 0.576 nan 8.290 nan 0.000 0.583 242 D N -0.105 120.307 120.400 0.019 0.000 2.304 242 D HA 0.269 4.910 4.640 0.002 0.000 0.247 242 D C 0.090 176.436 176.300 0.076 0.000 1.089 242 D CA 0.081 54.128 54.000 0.079 0.000 0.910 242 D CB 0.920 41.778 40.800 0.097 0.000 1.199 242 D HN 0.119 nan 8.370 nan 0.000 0.426 243 F N 1.523 121.500 119.950 0.045 0.000 2.443 243 F HA 0.252 4.780 4.527 0.002 0.000 0.353 243 F C 1.228 177.063 175.800 0.059 0.000 1.101 243 F CA 0.301 58.318 58.000 0.027 0.000 1.226 243 F CB 0.607 39.619 39.000 0.020 0.000 1.140 243 F HN -0.144 nan 8.300 nan 0.000 0.557 244 R N 3.461 124.095 120.500 0.223 0.000 2.680 244 R HA 0.494 4.835 4.340 0.002 0.000 0.269 244 R C -1.473 174.967 176.300 0.233 0.000 1.026 244 R CA -0.851 55.397 56.100 0.247 0.000 0.889 244 R CB 2.216 32.716 30.300 0.332 0.000 1.241 244 R HN 0.597 nan 8.270 nan 0.000 0.463 245 I N 1.633 122.344 120.570 0.234 0.000 2.355 245 I HA 0.167 4.338 4.170 0.002 0.000 0.288 245 I C 0.455 176.787 176.117 0.358 0.000 0.999 245 I CA -0.423 61.001 61.300 0.206 0.000 1.163 245 I CB 1.240 39.311 38.000 0.119 0.000 1.316 245 I HN 0.541 nan 8.210 nan 0.000 0.454 246 W N 3.727 125.078 121.300 0.085 0.000 2.425 246 W HA -0.077 4.584 4.660 0.002 0.000 0.277 246 W C 0.877 177.509 176.519 0.189 0.000 1.231 246 W CA 0.101 57.559 57.345 0.188 0.000 1.248 246 W CB -0.764 28.789 29.460 0.155 0.000 1.117 246 W HN 0.414 nan 8.180 nan 0.000 0.568 247 N N -0.270 118.597 118.700 0.278 0.000 2.503 247 N HA 0.044 4.785 4.740 0.002 0.000 0.267 247 N C 1.283 176.858 175.510 0.107 0.000 1.214 247 N CA 0.732 53.872 53.050 0.149 0.000 0.959 247 N CB 0.754 39.270 38.487 0.049 0.000 1.142 247 N HN -0.139 nan 8.380 nan 0.000 0.455 248 S N 0.484 116.237 115.700 0.089 0.000 2.406 248 S HA -0.048 4.423 4.470 0.002 0.000 0.228 248 S C 0.358 174.951 174.600 -0.012 0.000 1.020 248 S CA 0.702 58.939 58.200 0.062 0.000 0.965 248 S CB -0.037 63.222 63.200 0.098 0.000 0.798 248 S HN 0.641 nan 8.310 nan 0.000 0.488 249 Q N -0.564 119.217 119.800 -0.032 0.000 2.451 249 Q HA 0.533 4.874 4.340 0.002 0.000 0.281 249 Q C 0.074 175.992 176.000 -0.136 0.000 1.099 249 Q CA -0.549 55.195 55.803 -0.099 0.000 0.806 249 Q CB 1.924 30.635 28.738 -0.045 0.000 1.419 249 Q HN 0.144 nan 8.270 nan 0.000 0.427 250 L N 0.100 121.215 121.223 -0.179 0.000 2.395 250 L HA 0.099 4.440 4.340 0.002 0.000 0.218 250 L C 0.121 176.850 176.870 -0.236 0.000 1.130 250 L CA 0.454 55.192 54.840 -0.170 0.000 0.826 250 L CB 0.341 42.295 42.059 -0.174 0.000 0.941 250 L HN 0.211 nan 8.230 nan 0.000 0.451 251 V N 0.966 120.650 119.914 -0.383 0.000 2.447 251 V HA 0.498 4.619 4.120 0.002 0.000 0.292 251 V C -0.521 175.005 176.094 -0.948 0.000 1.021 251 V CA -0.694 61.203 62.300 -0.671 0.000 0.850 251 V CB 1.619 32.932 31.823 -0.849 0.000 1.005 251 V HN 0.123 nan 8.190 nan 0.000 0.426 252 R N 2.899 123.018 120.500 -0.636 0.000 2.698 252 R HA 0.549 4.890 4.340 0.002 0.000 0.275 252 R C -1.660 174.454 176.300 -0.309 0.000 1.001 252 R CA -0.803 55.040 56.100 -0.429 0.000 0.896 252 R CB 2.126 32.331 30.300 -0.158 0.000 1.218 252 R HN 0.538 nan 8.270 nan 0.000 0.462 253 Y N 0.337 120.628 120.300 -0.013 0.000 2.310 253 Y HA 0.479 5.030 4.550 0.002 0.000 0.326 253 Y C 1.039 176.905 175.900 -0.057 0.000 1.151 253 Y CA -0.856 57.250 58.100 0.009 0.000 1.195 253 Y CB 0.966 39.511 38.460 0.141 0.000 1.210 253 Y HN 0.688 nan 8.280 nan 0.000 0.483 254 A N 1.612 124.453 122.820 0.034 0.000 2.425 254 A HA 0.539 4.860 4.320 0.002 0.000 0.242 254 A C 0.625 177.969 177.584 -0.400 0.000 1.077 254 A CA 0.277 52.167 52.037 -0.245 0.000 0.781 254 A CB -0.252 18.514 19.000 -0.390 0.000 1.020 254 A HN 0.954 nan 8.150 nan 0.000 0.494 255 G N 0.689 109.242 108.800 -0.412 0.000 2.728 255 G HA2 0.541 4.502 3.960 0.002 0.000 0.296 255 G HA3 0.541 4.502 3.960 0.002 0.000 0.296 255 G C -1.019 173.718 174.900 -0.272 0.000 1.401 255 G CA -0.274 44.641 45.100 -0.307 0.000 1.007 255 G HN 0.554 nan 8.290 nan 0.000 0.527 256 Y N 2.267 122.578 120.300 0.019 0.000 2.367 256 Y HA 0.409 4.960 4.550 0.002 0.000 0.342 256 Y C 1.026 176.926 175.900 -0.001 0.000 0.979 256 Y CA -1.219 56.894 58.100 0.021 0.000 1.161 256 Y CB 1.125 39.595 38.460 0.017 0.000 1.155 256 Y HN 0.169 nan 8.280 nan 0.000 0.503 257 R N 3.872 124.461 120.500 0.148 0.000 2.446 257 R HA 0.053 4.394 4.340 0.002 0.000 0.314 257 R C 0.018 176.361 176.300 0.072 0.000 1.003 257 R CA -0.013 56.136 56.100 0.082 0.000 1.018 257 R CB 0.326 30.661 30.300 0.060 0.000 0.945 257 R HN 0.726 nan 8.270 nan 0.000 0.419 258 Q N 2.150 121.981 119.800 0.050 0.000 2.316 258 Q HA 0.029 4.370 4.340 0.002 0.000 0.215 258 Q C 1.454 177.464 176.000 0.016 0.000 1.020 258 Q CA -0.160 55.659 55.803 0.027 0.000 0.970 258 Q CB 0.579 29.328 28.738 0.018 0.000 1.187 258 Q HN 0.473 nan 8.270 nan 0.000 0.546 259 Q N 0.716 120.519 119.800 0.005 0.000 2.061 259 Q HA -0.178 4.163 4.340 0.002 0.000 0.204 259 Q C 0.621 176.624 176.000 0.005 0.000 0.984 259 Q CA 1.686 57.490 55.803 0.002 0.000 0.846 259 Q CB -0.141 28.594 28.738 -0.005 0.000 0.902 259 Q HN 0.601 nan 8.270 nan 0.000 0.421 260 D N -0.360 120.043 120.400 0.005 0.000 2.346 260 D HA 0.051 4.692 4.640 0.002 0.000 0.248 260 D C 1.011 177.317 176.300 0.010 0.000 1.173 260 D CA 0.726 54.730 54.000 0.006 0.000 0.878 260 D CB 0.077 40.880 40.800 0.004 0.000 0.919 260 D HN 0.483 nan 8.370 nan 0.000 0.513 261 G N 1.079 109.886 108.800 0.013 0.000 2.302 261 G HA2 -0.395 3.566 3.960 0.002 0.000 0.263 261 G HA3 -0.395 3.566 3.960 0.002 0.000 0.263 261 G C 0.725 175.635 174.900 0.017 0.000 0.995 261 G CA 0.811 45.921 45.100 0.016 0.000 0.622 261 G HN 0.708 nan 8.290 nan 0.000 0.538 262 S N -0.960 114.749 115.700 0.015 0.000 2.632 262 S HA 0.633 5.104 4.470 0.002 0.000 0.254 262 S C 0.091 174.699 174.600 0.013 0.000 1.291 262 S CA 0.316 58.523 58.200 0.013 0.000 0.974 262 S CB 1.863 65.069 63.200 0.010 0.000 1.016 262 S HN 1.277 nan 8.310 nan 0.000 0.579 263 V N 0.640 120.555 119.914 0.002 0.000 2.777 263 V HA 0.504 4.625 4.120 0.002 0.000 0.306 263 V C -0.310 175.768 176.094 -0.027 0.000 1.112 263 V CA -0.768 61.529 62.300 -0.004 0.000 0.917 263 V CB 1.781 33.587 31.823 -0.027 0.000 1.018 263 V HN 0.936 nan 8.190 nan 0.000 0.426 264 R N 2.593 123.104 120.500 0.019 0.000 2.265 264 R HA 0.689 5.030 4.340 0.002 0.000 0.319 264 R C 0.620 176.884 176.300 -0.059 0.000 1.006 264 R CA 1.037 57.145 56.100 0.014 0.000 0.880 264 R CB 1.085 31.455 30.300 0.117 0.000 1.077 264 R HN 1.328 nan 8.270 nan 0.000 0.454 265 G N 2.930 111.587 108.800 -0.237 0.000 2.466 265 G HA2 -0.250 3.711 3.960 0.002 0.000 0.218 265 G HA3 -0.250 3.711 3.960 0.002 0.000 0.218 265 G C -1.263 173.210 174.900 -0.711 0.000 1.237 265 G CA -0.149 44.702 45.100 -0.415 0.000 0.954 265 G HN 0.636 nan 8.290 nan 0.000 0.580 266 D N 1.663 121.793 120.400 -0.449 0.000 2.365 266 D HA 0.529 5.170 4.640 0.002 0.000 0.237 266 D C -0.973 175.243 176.300 -0.139 0.000 1.190 266 D CA -1.916 51.903 54.000 -0.301 0.000 0.867 266 D CB 1.317 42.228 40.800 0.186 0.000 1.050 266 D HN -0.006 nan 8.370 nan 0.000 0.491 267 P HA -0.096 nan 4.420 nan 0.000 0.221 267 P C 0.802 178.119 177.300 0.027 0.000 1.145 267 P CA 0.853 63.929 63.100 -0.041 0.000 0.795 267 P CB 0.321 32.009 31.700 -0.020 0.000 0.775 268 A N -0.633 122.222 122.820 0.058 0.000 2.016 268 A HA -0.072 4.249 4.320 0.002 0.000 0.217 268 A C 1.554 179.193 177.584 0.091 0.000 1.162 268 A CA 1.128 53.226 52.037 0.102 0.000 0.662 268 A CB -0.759 18.322 19.000 0.135 0.000 0.812 268 A HN 0.128 nan 8.150 nan 0.000 0.450 269 N N 0.018 118.756 118.700 0.063 0.000 2.376 269 N HA 0.173 4.914 4.740 0.002 0.000 0.249 269 N C 0.938 176.442 175.510 -0.009 0.000 1.140 269 N CA 0.070 53.142 53.050 0.036 0.000 0.870 269 N CB 0.818 39.322 38.487 0.029 0.000 1.124 269 N HN 0.196 nan 8.380 nan 0.000 0.505 270 V N 0.664 120.580 119.914 0.004 0.000 2.283 270 V HA -0.186 3.936 4.120 0.002 0.000 0.243 270 V C 2.405 178.501 176.094 0.003 0.000 1.039 270 V CA 1.638 63.936 62.300 -0.004 0.000 1.016 270 V CB -0.176 31.656 31.823 0.016 0.000 0.650 270 V HN 0.373 nan 8.190 nan 0.000 0.449 271 E N -0.338 119.873 120.200 0.018 0.000 2.085 271 E HA -0.270 4.081 4.350 0.002 0.000 0.194 271 E C 2.114 178.658 176.600 -0.093 0.000 0.994 271 E CA 1.794 58.187 56.400 -0.012 0.000 0.801 271 E CB -0.159 29.573 29.700 0.053 0.000 0.743 271 E HN 0.490 nan 8.360 nan 0.000 0.453 272 I N 0.623 121.153 120.570 -0.067 0.000 2.394 272 I HA -0.174 3.997 4.170 0.002 0.000 0.251 272 I C 2.006 178.082 176.117 -0.069 0.000 1.136 272 I CA 1.464 62.701 61.300 -0.104 0.000 1.425 272 I CB -0.288 37.700 38.000 -0.021 0.000 1.079 272 I HN 0.047 nan 8.210 nan 0.000 0.425 273 T N 0.336 114.866 114.554 -0.041 0.000 2.915 273 T HA -0.118 4.233 4.350 0.002 0.000 0.269 273 T C 1.685 176.454 174.700 0.114 0.000 1.071 273 T CA 1.494 63.597 62.100 0.005 0.000 1.132 273 T CB -0.177 68.657 68.868 -0.056 0.000 0.878 273 T HN 0.488 nan 8.240 nan 0.000 0.479 274 E N 0.753 120.987 120.200 0.057 0.000 2.051 274 E HA 0.074 4.425 4.350 0.002 0.000 0.189 274 E C 2.181 178.817 176.600 0.059 0.000 0.979 274 E CA 0.568 57.011 56.400 0.072 0.000 0.803 274 E CB -0.203 29.513 29.700 0.025 0.000 0.761 274 E HN 0.363 nan 8.360 nan 0.000 0.451 275 L N 0.729 121.945 121.223 -0.012 0.000 2.127 275 L HA -0.249 4.092 4.340 0.002 0.000 0.211 275 L C 2.435 179.410 176.870 0.175 0.000 1.089 275 L CA 0.737 55.601 54.840 0.040 0.000 0.757 275 L CB -0.414 41.568 42.059 -0.129 0.000 0.899 275 L HN 0.344 nan 8.230 nan 0.000 0.434 276 C N -0.500 118.871 119.300 0.118 0.000 2.466 276 C HA -0.079 4.382 4.460 0.002 0.000 0.278 276 C C 2.681 177.841 174.990 0.283 0.000 1.288 276 C CA 0.095 59.201 59.018 0.147 0.000 1.722 276 C CB -0.508 27.233 27.740 0.002 0.000 2.017 276 C HN 0.425 nan 8.230 nan 0.000 0.488 277 I N 0.787 121.539 120.570 0.302 0.000 2.226 277 I HA -0.257 3.914 4.170 0.002 0.000 0.245 277 I C 2.817 179.001 176.117 0.112 0.000 1.100 277 I CA 1.561 63.005 61.300 0.240 0.000 1.374 277 I CB -0.619 37.500 38.000 0.198 0.000 1.057 277 I HN 0.458 nan 8.210 nan 0.000 0.413 278 Q N 0.308 120.149 119.800 0.067 0.000 2.439 278 Q HA -0.192 4.149 4.340 0.002 0.000 0.211 278 Q C 0.649 176.538 176.000 -0.186 0.000 0.978 278 Q CA 1.153 56.922 55.803 -0.057 0.000 0.897 278 Q CB 0.098 28.790 28.738 -0.078 0.000 0.956 278 Q HN 0.585 nan 8.270 nan 0.000 0.483 279 H N -1.349 117.730 119.070 0.015 0.000 2.481 279 H HA 0.205 4.762 4.556 0.002 0.000 0.273 279 H C 0.516 175.841 175.328 -0.005 0.000 1.145 279 H CA 0.449 56.483 56.048 -0.023 0.000 0.964 279 H CB 0.892 30.610 29.762 -0.073 0.000 1.722 279 H HN 0.452 nan 8.280 nan 0.000 0.573 280 G N 1.014 109.861 108.800 0.078 0.000 2.148 280 G HA2 -0.283 3.678 3.960 0.002 0.000 0.254 280 G HA3 -0.283 3.678 3.960 0.002 0.000 0.254 280 G C 0.044 175.016 174.900 0.120 0.000 0.981 280 G CA 0.316 45.452 45.100 0.061 0.000 0.670 280 G HN 0.475 nan 8.290 nan 0.000 0.528 281 W N 1.636 122.927 121.300 -0.014 0.000 2.272 281 W HA 0.638 5.299 4.660 0.002 0.000 0.318 281 W C 0.365 176.885 176.519 0.002 0.000 1.255 281 W CA -0.102 57.237 57.345 -0.010 0.000 1.200 281 W CB 0.866 30.332 29.460 0.010 0.000 1.170 281 W HN 0.028 nan 8.180 nan 0.000 0.549 282 T N 9.634 123.784 114.554 -0.673 0.000 2.855 282 T HA 0.135 4.486 4.350 0.002 0.000 0.290 282 T C -1.896 172.014 174.700 -1.316 0.000 0.941 282 T CA -0.806 60.877 62.100 -0.696 0.000 1.030 282 T CB -0.062 68.569 68.868 -0.396 0.000 0.935 282 T HN 0.243 nan 8.240 nan 0.000 0.564 283 P HA 0.231 nan 4.420 nan 0.000 0.271 283 P C 0.392 177.264 177.300 -0.713 0.000 1.238 283 P CA -0.176 62.235 63.100 -1.148 0.000 0.794 283 P CB 0.749 32.197 31.700 -0.420 0.000 0.959 284 G N 0.021 108.560 108.800 -0.434 0.000 3.107 284 G HA2 0.399 4.360 3.960 0.002 0.000 0.232 284 G HA3 0.399 4.360 3.960 0.002 0.000 0.232 284 G C -0.037 174.538 174.900 -0.542 0.000 1.339 284 G CA -0.593 44.352 45.100 -0.258 0.000 1.033 284 G HN 0.672 nan 8.290 nan 0.000 0.567 285 N N -0.625 117.915 118.700 -0.267 0.000 2.387 285 N HA 0.212 4.953 4.740 0.002 0.000 0.259 285 N C 0.360 175.862 175.510 -0.013 0.000 1.369 285 N CA -0.023 52.859 53.050 -0.280 0.000 0.867 285 N CB 0.802 39.165 38.487 -0.207 0.000 1.341 285 N HN 0.664 nan 8.380 nan 0.000 0.495 286 G N 0.047 108.942 108.800 0.158 0.000 2.488 286 G HA2 0.342 4.303 3.960 0.002 0.000 0.318 286 G HA3 0.342 4.303 3.960 0.002 0.000 0.318 286 G C 0.389 175.382 174.900 0.155 0.000 1.188 286 G CA -0.630 44.565 45.100 0.159 0.000 0.944 286 G HN 0.114 nan 8.290 nan 0.000 0.495 287 R N -0.816 119.673 120.500 -0.019 0.000 2.246 287 R HA 0.145 4.486 4.340 0.002 0.000 0.199 287 R C 0.009 175.954 176.300 -0.592 0.000 0.984 287 R CA 0.518 56.444 56.100 -0.289 0.000 1.015 287 R CB 0.075 30.130 30.300 -0.410 0.000 0.930 287 R HN 0.473 nan 8.270 nan 0.000 0.475 288 F N 0.625 120.526 119.950 -0.081 0.000 2.761 288 F HA 0.239 4.767 4.527 0.002 0.000 0.367 288 F C -0.677 174.982 175.800 -0.234 0.000 1.386 288 F CA -0.932 56.731 58.000 -0.562 0.000 1.177 288 F CB 0.745 39.214 39.000 -0.886 0.000 1.092 288 F HN -0.309 nan 8.300 nan 0.000 0.517 289 D N 1.877 122.391 120.400 0.190 0.000 2.336 289 D HA 0.126 4.767 4.640 0.002 0.000 0.249 289 D C 0.278 176.791 176.300 0.354 0.000 1.213 289 D CA 0.256 54.447 54.000 0.317 0.000 0.870 289 D CB 1.929 43.002 40.800 0.454 0.000 1.076 289 D HN -0.059 nan 8.370 nan 0.000 0.483 290 V N 4.183 124.298 119.914 0.335 0.000 2.509 290 V HA -0.076 4.045 4.120 0.002 0.000 0.297 290 V C 1.161 177.256 176.094 0.001 0.000 1.014 290 V CA 0.017 62.425 62.300 0.181 0.000 1.127 290 V CB 0.024 31.913 31.823 0.110 0.000 0.925 290 V HN 0.348 nan 8.190 nan 0.000 0.480 291 L N 8.337 129.464 121.223 -0.160 0.000 2.472 291 L HA 0.337 4.678 4.340 0.002 0.000 0.260 291 L C -1.695 174.915 176.870 -0.432 0.000 1.209 291 L CA -1.238 53.343 54.840 -0.433 0.000 0.817 291 L CB 0.784 42.634 42.059 -0.349 0.000 1.106 291 L HN 0.494 nan 8.230 nan 0.000 0.479 292 P HA 0.309 nan 4.420 nan 0.000 0.283 292 P C -1.345 175.804 177.300 -0.253 0.000 1.271 292 P CA -0.612 62.231 63.100 -0.429 0.000 0.841 292 P CB 1.279 32.581 31.700 -0.663 0.000 1.122 293 L N 1.403 122.575 121.223 -0.085 0.000 2.307 293 L HA 0.416 4.757 4.340 0.002 0.000 0.282 293 L C 0.448 177.326 176.870 0.012 0.000 1.051 293 L CA -0.790 54.047 54.840 -0.005 0.000 0.804 293 L CB 0.588 42.705 42.059 0.096 0.000 1.197 293 L HN 0.191 nan 8.230 nan 0.000 0.431 294 L N 5.305 126.518 121.223 -0.017 0.000 2.264 294 L HA 0.451 4.792 4.340 0.002 0.000 0.287 294 L C -0.535 176.270 176.870 -0.109 0.000 1.039 294 L CA -0.292 54.473 54.840 -0.126 0.000 0.829 294 L CB 0.915 42.840 42.059 -0.224 0.000 1.211 294 L HN 0.461 nan 8.230 nan 0.000 0.427 295 L N 4.211 125.411 121.223 -0.039 0.000 2.295 295 L HA 0.480 4.821 4.340 0.002 0.000 0.285 295 L C -0.151 176.631 176.870 -0.146 0.000 1.035 295 L CA -0.334 54.472 54.840 -0.057 0.000 0.806 295 L CB 1.694 43.725 42.059 -0.045 0.000 1.214 295 L HN 0.582 nan 8.230 nan 0.000 0.426 296 Q N 2.877 122.581 119.800 -0.160 0.000 2.327 296 Q HA 0.663 5.004 4.340 0.002 0.000 0.270 296 Q C -1.067 174.850 176.000 -0.138 0.000 1.022 296 Q CA -0.597 55.098 55.803 -0.180 0.000 0.773 296 Q CB 2.073 30.690 28.738 -0.201 0.000 1.251 296 Q HN 0.787 nan 8.270 nan 0.000 0.457 297 A N 5.079 127.777 122.820 -0.204 0.000 2.286 297 A HA 0.628 4.949 4.320 0.002 0.000 0.286 297 A C -2.388 174.907 177.584 -0.481 0.000 1.097 297 A CA -1.578 50.187 52.037 -0.452 0.000 0.821 297 A CB 0.069 18.908 19.000 -0.268 0.000 1.076 297 A HN 0.651 nan 8.150 nan 0.000 0.490 298 P HA -0.017 nan 4.420 nan 0.000 0.263 298 P C -0.739 176.441 177.300 -0.201 0.000 1.168 298 P CA 0.762 63.622 63.100 -0.400 0.000 0.759 298 P CB 0.077 31.531 31.700 -0.411 0.000 0.782 299 D N 1.208 121.544 120.400 -0.106 0.000 2.740 299 D HA -0.211 4.430 4.640 0.002 0.000 0.231 299 D C -0.287 175.982 176.300 -0.051 0.000 1.194 299 D CA 1.423 55.392 54.000 -0.051 0.000 0.673 299 D CB -0.786 39.991 40.800 -0.038 0.000 0.995 299 D HN 0.581 nan 8.370 nan 0.000 0.411 300 E N -1.117 119.048 120.200 -0.057 0.000 2.354 300 E HA 0.537 4.888 4.350 0.002 0.000 0.283 300 E C -0.414 176.145 176.600 -0.069 0.000 0.938 300 E CA -0.803 55.562 56.400 -0.059 0.000 0.777 300 E CB 1.614 31.265 29.700 -0.082 0.000 1.222 300 E HN 0.183 nan 8.360 nan 0.000 0.423 301 A N 3.549 126.337 122.820 -0.053 0.000 2.555 301 A HA 0.209 4.530 4.320 0.002 0.000 0.233 301 A C -1.975 175.467 177.584 -0.237 0.000 1.060 301 A CA -0.503 51.483 52.037 -0.084 0.000 0.759 301 A CB -0.534 18.458 19.000 -0.013 0.000 0.995 301 A HN 0.287 nan 8.150 nan 0.000 0.506 302 P HA 0.222 nan 4.420 nan 0.000 0.272 302 P C -0.590 176.429 177.300 -0.468 0.000 1.240 302 P CA 0.002 62.698 63.100 -0.673 0.000 0.791 302 P CB 0.684 31.519 31.700 -1.441 0.000 0.978 303 E N 0.087 120.098 120.200 -0.315 0.000 2.212 303 E HA 0.434 4.785 4.350 0.002 0.000 0.268 303 E C -0.924 175.471 176.600 -0.342 0.000 0.902 303 E CA -1.056 55.174 56.400 -0.284 0.000 0.779 303 E CB 1.678 31.279 29.700 -0.164 0.000 1.172 303 E HN 0.246 nan 8.360 nan 0.000 0.409 304 L N 3.327 124.252 121.223 -0.497 0.000 2.265 304 L HA 0.442 4.783 4.340 0.002 0.000 0.288 304 L C -1.629 174.787 176.870 -0.756 0.000 1.058 304 L CA 0.141 54.726 54.840 -0.425 0.000 0.809 304 L CB 0.028 41.940 42.059 -0.245 0.000 1.179 304 L HN 0.389 nan 8.230 nan 0.000 0.429 305 F N 3.848 123.610 119.950 -0.314 0.000 2.563 305 F HA 0.617 5.145 4.527 0.002 0.000 0.316 305 F C -0.273 175.321 175.800 -0.343 0.000 1.076 305 F CA -0.880 56.803 58.000 -0.528 0.000 0.921 305 F CB 2.062 40.448 39.000 -1.023 0.000 1.209 305 F HN 0.019 nan 8.300 nan 0.000 0.462 306 V N 3.974 123.812 119.914 -0.126 0.000 2.417 306 V HA 0.363 4.484 4.120 0.002 0.000 0.291 306 V C -0.127 176.071 176.094 0.173 0.000 1.024 306 V CA -0.877 61.435 62.300 0.021 0.000 0.861 306 V CB 1.700 33.556 31.823 0.054 0.000 0.985 306 V HN 0.525 nan 8.190 nan 0.000 0.436 307 L N 7.029 128.364 121.223 0.187 0.000 2.410 307 L HA 0.268 4.609 4.340 0.002 0.000 0.273 307 L C -2.154 174.813 176.870 0.162 0.000 1.152 307 L CA -1.406 53.567 54.840 0.221 0.000 0.855 307 L CB 0.452 42.581 42.059 0.117 0.000 1.129 307 L HN 0.422 nan 8.230 nan 0.000 0.463 308 P HA 0.082 nan 4.420 nan 0.000 0.264 308 P C -1.943 175.407 177.300 0.084 0.000 1.236 308 P CA -0.981 62.190 63.100 0.118 0.000 0.811 308 P CB 0.484 32.248 31.700 0.107 0.000 0.840 309 P HA -0.300 nan 4.420 nan 0.000 0.222 309 P C 1.325 178.659 177.300 0.055 0.000 1.154 309 P CA 1.591 64.735 63.100 0.072 0.000 0.874 309 P CB -0.121 31.623 31.700 0.073 0.000 0.787 310 E N -1.126 119.103 120.200 0.048 0.000 2.347 310 E HA -0.088 4.263 4.350 0.002 0.000 0.196 310 E C 1.731 178.348 176.600 0.029 0.000 1.008 310 E CA 0.828 57.249 56.400 0.034 0.000 0.852 310 E CB -1.039 28.679 29.700 0.030 0.000 0.783 310 E HN 0.264 nan 8.360 nan 0.000 0.505 311 L N 0.771 122.013 121.223 0.033 0.000 2.270 311 L HA 0.027 4.368 4.340 0.002 0.000 0.210 311 L C 0.998 177.885 176.870 0.029 0.000 1.104 311 L CA 0.615 55.469 54.840 0.023 0.000 0.804 311 L CB 0.322 42.390 42.059 0.015 0.000 0.937 311 L HN -0.127 nan 8.230 nan 0.000 0.450 312 V N 1.890 121.825 119.914 0.035 0.000 2.222 312 V HA 0.122 4.243 4.120 0.002 0.000 0.253 312 V C 0.126 176.254 176.094 0.056 0.000 1.210 312 V CA -0.811 61.513 62.300 0.040 0.000 1.079 312 V CB 0.352 32.193 31.823 0.029 0.000 1.265 312 V HN 0.035 nan 8.190 nan 0.000 0.494 313 L N 4.838 126.095 121.223 0.056 0.000 2.525 313 L HA 0.255 4.596 4.340 0.002 0.000 0.278 313 L C 0.250 177.157 176.870 0.061 0.000 1.218 313 L CA 0.889 55.754 54.840 0.041 0.000 0.878 313 L CB 0.027 42.103 42.059 0.029 0.000 1.127 313 L HN 0.620 nan 8.230 nan 0.000 0.492 314 E N 3.181 123.392 120.200 0.017 0.000 2.367 314 E HA 0.533 4.884 4.350 0.002 0.000 0.273 314 E C -1.535 175.009 176.600 -0.092 0.000 0.903 314 E CA -0.971 55.440 56.400 0.018 0.000 0.764 314 E CB 2.417 32.154 29.700 0.061 0.000 1.252 314 E HN 0.374 nan 8.360 nan 0.000 0.446 315 V N 2.882 122.712 119.914 -0.140 0.000 2.448 315 V HA 0.348 4.469 4.120 0.002 0.000 0.295 315 V C -2.440 173.596 176.094 -0.097 0.000 1.025 315 V CA -1.994 60.163 62.300 -0.239 0.000 0.859 315 V CB 1.531 32.954 31.823 -0.667 0.000 0.988 315 V HN 0.509 nan 8.190 nan 0.000 0.431 316 P HA 0.398 nan 4.420 nan 0.000 0.286 316 P C -0.867 176.447 177.300 0.023 0.000 1.269 316 P CA -0.295 62.781 63.100 -0.039 0.000 0.787 316 P CB 0.672 32.353 31.700 -0.032 0.000 0.920 317 L N 3.979 125.252 121.223 0.083 0.000 2.275 317 L HA 0.472 4.813 4.340 0.002 0.000 0.288 317 L C 0.833 177.876 176.870 0.289 0.000 1.046 317 L CA -0.228 54.725 54.840 0.189 0.000 0.805 317 L CB 0.515 42.740 42.059 0.277 0.000 1.193 317 L HN 0.429 nan 8.230 nan 0.000 0.426 318 E N 1.795 122.126 120.200 0.218 0.000 2.393 318 E HA 0.413 4.764 4.350 0.002 0.000 0.273 318 E C -1.237 175.366 176.600 0.005 0.000 0.918 318 E CA -0.971 55.568 56.400 0.232 0.000 0.773 318 E CB 2.348 32.148 29.700 0.167 0.000 1.275 318 E HN 0.433 nan 8.360 nan 0.000 0.451 319 H N 2.230 121.161 119.070 -0.230 0.000 2.473 319 H HA 0.172 4.729 4.556 0.002 0.000 0.327 319 H C -1.642 173.417 175.328 -0.449 0.000 1.105 319 H CA -2.224 53.537 56.048 -0.478 0.000 1.280 319 H CB 1.772 31.136 29.762 -0.663 0.000 1.450 319 H HN 0.408 nan 8.280 nan 0.000 0.492 320 P HA -0.111 nan 4.420 nan 0.000 0.226 320 P C 0.734 177.846 177.300 -0.312 0.000 1.146 320 P CA 1.470 64.048 63.100 -0.870 0.000 0.773 320 P CB 0.418 31.574 31.700 -0.907 0.000 0.772 321 T N -5.630 108.918 114.554 -0.009 0.000 3.123 321 T HA 0.163 4.514 4.350 0.002 0.000 0.266 321 T C 0.504 175.201 174.700 -0.005 0.000 0.873 321 T CA -0.260 61.855 62.100 0.024 0.000 0.854 321 T CB -0.560 68.332 68.868 0.041 0.000 1.254 321 T HN -0.050 nan 8.240 nan 0.000 0.570 322 L N 4.091 125.274 121.223 -0.067 0.000 2.328 322 L HA 0.408 4.749 4.340 0.002 0.000 0.280 322 L C 1.854 178.423 176.870 -0.502 0.000 1.111 322 L CA -0.700 53.829 54.840 -0.518 0.000 0.909 322 L CB 0.857 42.211 42.059 -1.175 0.000 1.277 322 L HN 0.270 nan 8.230 nan 0.000 0.433 323 E N 3.888 123.955 120.200 -0.222 0.000 2.160 323 E HA -0.246 4.105 4.350 0.002 0.000 0.195 323 E C 1.656 178.242 176.600 -0.023 0.000 0.991 323 E CA 1.405 57.765 56.400 -0.065 0.000 0.810 323 E CB -0.330 29.395 29.700 0.040 0.000 0.742 323 E HN 0.818 nan 8.360 nan 0.000 0.466 324 W N -0.004 121.353 121.300 0.095 0.000 2.525 324 W HA 0.014 4.675 4.660 0.002 0.000 0.259 324 W C 1.603 178.173 176.519 0.084 0.000 1.253 324 W CA -0.027 57.359 57.345 0.069 0.000 1.262 324 W CB -1.225 28.256 29.460 0.035 0.000 1.122 324 W HN -0.123 nan 8.180 nan 0.000 0.607 325 F N 2.993 122.662 119.950 -0.468 0.000 2.046 325 F HA -0.162 4.366 4.527 0.001 0.000 0.297 325 F C 2.809 178.602 175.800 -0.012 0.000 1.123 325 F CA 3.300 61.112 58.000 -0.313 0.000 1.199 325 F CB -0.824 37.917 39.000 -0.432 0.000 0.972 325 F HN -0.077 nan 8.300 nan 0.000 0.474 326 A N 0.193 123.111 122.820 0.164 0.000 2.042 326 A HA -0.203 4.118 4.320 0.002 0.000 0.222 326 A C 2.265 179.878 177.584 0.049 0.000 1.167 326 A CA 1.763 53.872 52.037 0.120 0.000 0.649 326 A CB -1.608 17.461 19.000 0.115 0.000 0.809 326 A HN 0.525 nan 8.150 nan 0.000 0.457 327 A N -0.619 122.240 122.820 0.064 0.000 2.178 327 A HA 0.058 4.379 4.320 0.002 0.000 0.218 327 A C 1.878 179.482 177.584 0.033 0.000 1.157 327 A CA 1.189 53.267 52.037 0.068 0.000 0.689 327 A CB -0.531 18.538 19.000 0.116 0.000 0.787 327 A HN 0.522 nan 8.150 nan 0.000 0.465 328 L N -1.259 119.940 121.223 -0.041 0.000 2.478 328 L HA 0.091 4.432 4.340 0.002 0.000 0.223 328 L C 1.754 178.633 176.870 0.016 0.000 1.140 328 L CA 0.487 55.291 54.840 -0.060 0.000 0.842 328 L CB -0.508 41.399 42.059 -0.253 0.000 0.953 328 L HN 0.553 nan 8.230 nan 0.000 0.452 329 G N 1.223 110.036 108.800 0.021 0.000 2.283 329 G HA2 -0.289 3.672 3.960 0.002 0.000 0.280 329 G HA3 -0.289 3.672 3.960 0.002 0.000 0.280 329 G C 0.203 175.137 174.900 0.058 0.000 1.029 329 G CA 0.059 45.194 45.100 0.057 0.000 0.840 329 G HN 0.263 nan 8.290 nan 0.000 0.505 330 L N -0.248 120.979 121.223 0.006 0.000 2.395 330 L HA 0.742 5.083 4.340 0.002 0.000 0.269 330 L C 1.052 177.753 176.870 -0.281 0.000 1.133 330 L CA -0.614 54.179 54.840 -0.079 0.000 0.812 330 L CB 1.009 43.111 42.059 0.073 0.000 1.125 330 L HN 0.571 nan 8.230 nan 0.000 0.452 331 R N 2.124 122.205 120.500 -0.698 0.000 2.692 331 R HA 0.481 4.822 4.340 0.002 0.000 0.269 331 R C -2.183 173.985 176.300 -0.220 0.000 1.030 331 R CA -0.972 54.877 56.100 -0.418 0.000 0.882 331 R CB 1.913 31.928 30.300 -0.474 0.000 1.250 331 R HN 0.643 nan 8.270 nan 0.000 0.465 332 W N 2.595 123.848 121.300 -0.078 0.000 3.107 332 W HA 0.356 5.017 4.660 0.002 0.000 0.331 332 W C -0.966 175.663 176.519 0.183 0.000 1.204 332 W CA -1.061 56.344 57.345 0.101 0.000 1.184 332 W CB 1.928 31.344 29.460 -0.073 0.000 1.421 332 W HN 0.708 nan 8.180 nan 0.000 0.544 333 Y N 1.082 121.272 120.300 -0.184 0.000 2.330 333 Y HA 0.495 5.046 4.550 0.002 0.000 0.341 333 Y C 0.789 176.937 175.900 0.413 0.000 1.278 333 Y CA 0.290 58.413 58.100 0.038 0.000 1.453 333 Y CB 0.144 38.506 38.460 -0.163 0.000 1.342 333 Y HN 0.335 nan 8.280 nan 0.000 0.590 334 A N 1.547 124.645 122.820 0.464 0.000 2.044 334 A HA 0.150 4.471 4.320 0.002 0.000 0.213 334 A C 0.343 178.261 177.584 0.557 0.000 1.169 334 A CA 0.081 52.426 52.037 0.513 0.000 0.724 334 A CB -0.173 18.960 19.000 0.222 0.000 0.840 334 A HN 0.644 nan 8.150 nan 0.000 0.463 335 L N 2.188 123.707 121.223 0.493 0.000 2.255 335 L HA 0.408 4.749 4.340 0.002 0.000 0.289 335 L C -2.536 174.485 176.870 0.252 0.000 1.046 335 L CA -2.111 52.916 54.840 0.311 0.000 0.816 335 L CB 1.496 43.674 42.059 0.197 0.000 1.197 335 L HN -0.021 nan 8.230 nan 0.000 0.427 336 P HA 0.331 nan 4.420 nan 0.000 0.284 336 P C -1.437 175.767 177.300 -0.160 0.000 1.432 336 P CA -0.343 62.599 63.100 -0.264 0.000 0.929 336 P CB 1.273 32.413 31.700 -0.933 0.000 1.158 337 A N 4.575 127.318 122.820 -0.128 0.000 2.409 337 A HA 0.425 4.746 4.320 0.002 0.000 0.300 337 A C -0.147 177.212 177.584 -0.376 0.000 1.273 337 A CA -0.669 51.217 52.037 -0.251 0.000 0.774 337 A CB 0.822 19.690 19.000 -0.219 0.000 1.144 337 A HN 0.288 nan 8.150 nan 0.000 0.472 338 V N 2.892 122.408 119.914 -0.663 0.000 2.572 338 V HA 0.242 4.363 4.120 0.002 0.000 0.291 338 V C 1.269 176.932 176.094 -0.718 0.000 1.039 338 V CA 1.241 63.092 62.300 -0.748 0.000 1.055 338 V CB 1.051 32.203 31.823 -1.118 0.000 0.969 338 V HN 1.115 nan 8.190 nan 0.000 0.482 339 S N 1.664 117.162 115.700 -0.338 0.000 2.733 339 S HA 0.034 4.505 4.470 0.002 0.000 0.247 339 S C 0.848 175.433 174.600 -0.026 0.000 1.043 339 S CA 0.107 58.206 58.200 -0.168 0.000 1.066 339 S CB -0.333 62.810 63.200 -0.094 0.000 1.045 339 S HN 0.898 nan 8.310 nan 0.000 0.586 340 N N 0.438 119.129 118.700 -0.016 0.000 2.230 340 N HA 0.291 5.032 4.740 0.002 0.000 0.202 340 N C 0.214 175.771 175.510 0.079 0.000 1.119 340 N CA -0.440 52.643 53.050 0.054 0.000 0.851 340 N CB 0.067 38.592 38.487 0.063 0.000 0.990 340 N HN 0.283 nan 8.380 nan 0.000 0.497 341 M N 1.409 121.058 119.600 0.081 0.000 2.359 341 M HA 0.312 4.793 4.480 0.002 0.000 0.322 341 M C -0.512 175.913 176.300 0.209 0.000 1.166 341 M CA -0.828 54.549 55.300 0.128 0.000 1.067 341 M CB 2.371 35.052 32.600 0.135 0.000 1.523 341 M HN 0.135 nan 8.290 nan 0.000 0.467 342 L N 2.925 124.252 121.223 0.174 0.000 2.307 342 L HA 0.540 4.881 4.340 0.002 0.000 0.282 342 L C -1.398 175.571 176.870 0.166 0.000 1.051 342 L CA -0.936 54.002 54.840 0.164 0.000 0.804 342 L CB 1.119 43.230 42.059 0.087 0.000 1.197 342 L HN 0.590 nan 8.230 nan 0.000 0.431 343 L N 5.171 126.483 121.223 0.148 0.000 2.272 343 L HA 0.455 4.796 4.340 0.002 0.000 0.289 343 L C -0.525 176.343 176.870 -0.003 0.000 1.032 343 L CA 0.225 55.023 54.840 -0.070 0.000 0.810 343 L CB 1.184 43.179 42.059 -0.106 0.000 1.205 343 L HN 0.649 nan 8.230 nan 0.000 0.422 344 E N 6.602 126.717 120.200 -0.142 0.000 2.145 344 E HA 0.412 4.763 4.350 0.002 0.000 0.270 344 E C -1.591 174.913 176.600 -0.160 0.000 0.906 344 E CA -0.422 55.923 56.400 -0.091 0.000 0.761 344 E CB 1.076 30.722 29.700 -0.090 0.000 1.116 344 E HN 0.717 nan 8.360 nan 0.000 0.408 345 I N 2.031 122.520 120.570 -0.134 0.000 2.533 345 I HA 0.291 4.462 4.170 0.002 0.000 0.290 345 I C 0.896 176.808 176.117 -0.342 0.000 1.056 345 I CA -0.876 60.209 61.300 -0.358 0.000 1.057 345 I CB 2.121 39.824 38.000 -0.496 0.000 1.240 345 I HN 0.756 nan 8.210 nan 0.000 0.423 346 G N 4.147 112.737 108.800 -0.350 0.000 2.422 346 G HA2 -0.124 3.837 3.960 0.002 0.000 0.301 346 G HA3 -0.124 3.837 3.960 0.002 0.000 0.301 346 G C 1.071 176.049 174.900 0.131 0.000 0.981 346 G CA 0.972 46.093 45.100 0.034 0.000 0.994 346 G HN 1.612 nan 8.290 nan 0.000 0.514 347 G N -2.102 106.720 108.800 0.037 0.000 2.212 347 G HA2 -0.279 3.682 3.960 0.002 0.000 0.266 347 G HA3 -0.279 3.682 3.960 0.002 0.000 0.266 347 G C 0.536 175.408 174.900 -0.047 0.000 0.978 347 G CA 0.667 45.786 45.100 0.032 0.000 0.632 347 G HN 1.211 nan 8.290 nan 0.000 0.537 348 L N 0.264 121.413 121.223 -0.124 0.000 2.399 348 L HA 0.628 4.969 4.340 0.002 0.000 0.266 348 L C 0.366 177.043 176.870 -0.322 0.000 1.114 348 L CA -0.525 54.131 54.840 -0.307 0.000 0.804 348 L CB 1.134 42.923 42.059 -0.449 0.000 1.146 348 L HN 0.163 nan 8.230 nan 0.000 0.451 349 E N 1.844 121.753 120.200 -0.486 0.000 2.218 349 E HA 0.353 4.704 4.350 0.002 0.000 0.263 349 E C -1.583 174.689 176.600 -0.547 0.000 0.879 349 E CA -0.397 55.791 56.400 -0.353 0.000 0.762 349 E CB 1.763 31.353 29.700 -0.183 0.000 1.166 349 E HN 0.249 nan 8.360 nan 0.000 0.415 350 F N 1.923 121.833 119.950 -0.067 0.000 2.313 350 F HA 0.097 4.625 4.527 0.002 0.000 0.369 350 F C 1.540 177.366 175.800 0.043 0.000 1.109 350 F CA -0.504 57.482 58.000 -0.023 0.000 1.132 350 F CB 1.231 40.196 39.000 -0.058 0.000 1.291 350 F HN 0.418 nan 8.300 nan 0.000 0.496 351 S N 1.599 117.386 115.700 0.144 0.000 2.561 351 S HA 0.331 4.802 4.470 0.002 0.000 0.225 351 S C 0.668 175.397 174.600 0.215 0.000 0.977 351 S CA 0.267 58.561 58.200 0.156 0.000 0.926 351 S CB 0.010 63.282 63.200 0.121 0.000 0.769 351 S HN 0.549 nan 8.310 nan 0.000 0.533 352 A N 0.430 123.419 122.820 0.283 0.000 2.679 352 A HA 0.799 5.120 4.320 0.002 0.000 0.288 352 A C -0.253 177.577 177.584 0.410 0.000 1.160 352 A CA -0.133 52.107 52.037 0.337 0.000 0.763 352 A CB 0.711 19.912 19.000 0.334 0.000 1.270 352 A HN 0.943 nan 8.150 nan 0.000 0.417 353 A N 3.877 126.883 122.820 0.310 0.000 3.409 353 A HA 0.664 4.985 4.320 0.002 0.000 0.282 353 A C -2.903 174.829 177.584 0.247 0.000 1.064 353 A CA -1.093 51.082 52.037 0.230 0.000 0.889 353 A CB 0.370 19.510 19.000 0.234 0.000 1.251 353 A HN 0.486 nan 8.150 nan 0.000 0.538 354 P HA 0.332 nan 4.420 nan 0.000 0.265 354 P C -0.784 176.517 177.300 0.002 0.000 1.193 354 P CA 0.563 63.625 63.100 -0.063 0.000 0.765 354 P CB 0.186 31.821 31.700 -0.108 0.000 0.823 355 F N 0.067 119.961 119.950 -0.092 0.000 2.588 355 F HA 0.775 5.303 4.527 0.002 0.000 0.314 355 F C -0.495 175.221 175.800 -0.140 0.000 1.069 355 F CA -1.186 56.762 58.000 -0.086 0.000 0.931 355 F CB 1.666 40.510 39.000 -0.261 0.000 1.260 355 F HN 0.407 nan 8.300 nan 0.000 0.465 356 S N 0.423 116.206 115.700 0.139 0.000 2.579 356 S HA 0.978 5.449 4.470 0.002 0.000 0.272 356 S C -0.742 173.821 174.600 -0.062 0.000 1.141 356 S CA -0.185 58.029 58.200 0.024 0.000 0.843 356 S CB 1.555 64.842 63.200 0.144 0.000 1.122 356 S HN 1.500 nan 8.310 nan 0.000 0.468 357 G N -0.258 108.465 108.800 -0.128 0.000 3.354 357 G HA2 0.709 4.670 3.960 0.002 0.000 0.174 357 G HA3 0.709 4.670 3.960 0.002 0.000 0.174 357 G C -1.701 173.217 174.900 0.030 0.000 1.140 357 G CA -0.322 44.645 45.100 -0.221 0.000 0.897 357 G HN 1.125 nan 8.290 nan 0.000 0.685 358 W N -1.358 119.947 121.300 0.008 0.000 3.031 358 W HA 0.833 5.493 4.660 0.002 0.000 0.337 358 W C -1.449 175.077 176.519 0.011 0.000 1.187 358 W CA -2.005 55.364 57.345 0.041 0.000 1.166 358 W CB 0.461 29.988 29.460 0.111 0.000 1.437 358 W HN 0.423 nan 8.180 nan 0.000 0.551 359 Y N 2.179 122.662 120.300 0.305 0.000 2.330 359 Y HA 0.336 4.887 4.550 0.002 0.000 0.341 359 Y C 0.695 176.651 175.900 0.095 0.000 1.278 359 Y CA -0.687 57.471 58.100 0.096 0.000 1.453 359 Y CB 1.073 39.492 38.460 -0.068 0.000 1.342 359 Y HN 0.434 nan 8.280 nan 0.000 0.590 360 M N 1.359 121.102 119.600 0.239 0.000 2.181 360 M HA 0.211 4.692 4.480 0.002 0.000 0.323 360 M C 0.864 177.142 176.300 -0.036 0.000 1.004 360 M CA -0.424 54.940 55.300 0.107 0.000 0.941 360 M CB 1.298 33.944 32.600 0.076 0.000 1.579 360 M HN 0.845 nan 8.290 nan 0.000 0.427 361 S N 1.415 117.054 115.700 -0.101 0.000 2.414 361 S HA -0.263 4.208 4.470 0.002 0.000 0.241 361 S C 1.499 175.944 174.600 -0.259 0.000 1.079 361 S CA 2.542 60.609 58.200 -0.223 0.000 1.087 361 S CB -1.597 61.528 63.200 -0.125 0.000 0.927 361 S HN 0.928 nan 8.310 nan 0.000 0.456 362 T N 0.216 114.646 114.554 -0.207 0.000 2.881 362 T HA -0.053 4.298 4.350 0.002 0.000 0.270 362 T C 1.584 176.116 174.700 -0.280 0.000 1.068 362 T CA 1.274 63.207 62.100 -0.279 0.000 1.131 362 T CB -0.600 68.068 68.868 -0.332 0.000 0.871 362 T HN 0.633 nan 8.240 nan 0.000 0.479 363 E N 0.933 120.988 120.200 -0.242 0.000 2.077 363 E HA -0.038 4.313 4.350 0.002 0.000 0.193 363 E C 2.103 178.429 176.600 -0.456 0.000 0.989 363 E CA 1.371 57.629 56.400 -0.237 0.000 0.800 363 E CB -0.302 29.381 29.700 -0.028 0.000 0.746 363 E HN 0.591 nan 8.360 nan 0.000 0.452 364 I N 0.328 120.497 120.570 -0.668 0.000 2.270 364 I HA -0.071 4.100 4.170 0.002 0.000 0.239 364 I C 2.623 178.383 176.117 -0.594 0.000 1.080 364 I CA 0.982 61.719 61.300 -0.938 0.000 1.383 364 I CB -0.588 36.745 38.000 -1.110 0.000 1.097 364 I HN 0.112 nan 8.210 nan 0.000 0.420 365 G N 0.173 108.721 108.800 -0.419 0.000 2.422 365 G HA2 -0.180 3.781 3.960 0.002 0.000 0.218 365 G HA3 -0.180 3.781 3.960 0.002 0.000 0.218 365 G C 1.625 176.402 174.900 -0.206 0.000 1.146 365 G CA 1.546 46.491 45.100 -0.258 0.000 0.769 365 G HN 0.295 nan 8.290 nan 0.000 0.547 366 T N 0.054 114.465 114.554 -0.238 0.000 2.898 366 T HA 0.083 4.434 4.350 0.002 0.000 0.241 366 T C 2.559 177.147 174.700 -0.187 0.000 1.024 366 T CA 0.361 62.344 62.100 -0.196 0.000 1.174 366 T CB 0.013 68.746 68.868 -0.226 0.000 0.873 366 T HN 0.007 nan 8.240 nan 0.000 0.422 367 R N 1.916 122.284 120.500 -0.221 0.000 2.062 367 R HA 0.125 4.466 4.340 0.002 0.000 0.231 367 R C 2.168 178.345 176.300 -0.204 0.000 1.136 367 R CA 1.097 57.076 56.100 -0.201 0.000 0.948 367 R CB -1.164 29.017 30.300 -0.199 0.000 0.845 367 R HN 0.323 nan 8.270 nan 0.000 0.430 368 N N 0.838 119.360 118.700 -0.296 0.000 2.106 368 N HA -0.061 4.680 4.740 0.002 0.000 0.188 368 N C 1.958 177.382 175.510 -0.144 0.000 1.029 368 N CA 1.086 53.950 53.050 -0.310 0.000 0.848 368 N CB -0.238 37.734 38.487 -0.858 0.000 1.007 368 N HN 0.167 nan 8.380 nan 0.000 0.423 369 L N -0.738 120.363 121.223 -0.204 0.000 2.375 369 L HA 0.077 4.418 4.340 0.002 0.000 0.215 369 L C 1.383 178.278 176.870 0.042 0.000 1.108 369 L CA 0.371 55.189 54.840 -0.036 0.000 0.830 369 L CB 0.174 42.193 42.059 -0.067 0.000 0.959 369 L HN 0.170 nan 8.230 nan 0.000 0.457 370 C N -1.756 117.532 119.300 -0.021 0.000 3.065 370 C HA 0.179 4.640 4.460 0.002 0.000 0.285 370 C C 0.761 175.745 174.990 -0.010 0.000 1.257 370 C CA -0.916 58.105 59.018 0.005 0.000 1.691 370 C CB -0.280 27.448 27.740 -0.020 0.000 2.089 370 C HN 0.290 nan 8.230 nan 0.000 0.630 371 D N 2.280 122.643 120.400 -0.062 0.000 2.472 371 D HA 0.069 4.710 4.640 0.002 0.000 0.237 371 D C -1.402 174.887 176.300 -0.019 0.000 1.141 371 D CA -1.027 52.918 54.000 -0.091 0.000 0.875 371 D CB 0.609 41.225 40.800 -0.306 0.000 1.192 371 D HN 0.107 nan 8.370 nan 0.000 0.450 372 P HA -0.151 nan 4.420 nan 0.000 0.215 372 P C 0.725 178.121 177.300 0.159 0.000 1.157 372 P CA 1.386 64.572 63.100 0.144 0.000 0.868 372 P CB -0.029 31.780 31.700 0.181 0.000 0.788 373 H N -1.972 117.119 119.070 0.035 0.000 2.592 373 H HA 0.313 4.870 4.556 0.002 0.000 0.291 373 H C 0.765 176.122 175.328 0.048 0.000 1.052 373 H CA 0.082 56.151 56.048 0.035 0.000 1.175 373 H CB -0.288 29.491 29.762 0.028 0.000 1.378 373 H HN 0.020 nan 8.280 nan 0.000 0.576 374 R N -0.390 120.052 120.500 -0.097 0.000 3.322 374 R HA 0.165 4.506 4.340 0.002 0.000 0.189 374 R C 0.909 177.254 176.300 0.075 0.000 1.510 374 R CA -0.813 55.276 56.100 -0.017 0.000 0.827 374 R CB -0.780 29.512 30.300 -0.014 0.000 1.856 374 R HN 0.092 nan 8.270 nan 0.000 0.497 375 Y N 1.677 122.010 120.300 0.055 0.000 2.569 375 Y HA -0.118 4.433 4.550 0.002 0.000 0.293 375 Y C 0.686 176.625 175.900 0.065 0.000 1.144 375 Y CA 1.033 59.182 58.100 0.080 0.000 1.321 375 Y CB -0.523 38.028 38.460 0.153 0.000 0.982 375 Y HN 0.519 nan 8.280 nan 0.000 0.558 376 N N 0.902 119.715 118.700 0.188 0.000 2.678 376 N HA -0.238 4.503 4.740 0.002 0.000 0.268 376 N C 0.294 175.897 175.510 0.156 0.000 1.010 376 N CA 0.811 53.943 53.050 0.138 0.000 0.784 376 N CB -1.219 37.331 38.487 0.106 0.000 0.905 376 N HN 0.662 nan 8.380 nan 0.000 0.552 377 I N -2.967 117.706 120.570 0.171 0.000 3.861 377 I HA 0.100 4.271 4.170 0.002 0.000 0.329 377 I C 1.118 177.343 176.117 0.180 0.000 1.321 377 I CA -0.516 60.885 61.300 0.169 0.000 1.126 377 I CB -0.044 38.061 38.000 0.174 0.000 1.018 377 I HN 0.085 nan 8.210 nan 0.000 0.407 378 L N 1.631 122.973 121.223 0.198 0.000 2.017 378 L HA -0.158 4.183 4.340 0.002 0.000 0.208 378 L C 2.515 179.598 176.870 0.355 0.000 1.073 378 L CA 1.996 57.002 54.840 0.276 0.000 0.745 378 L CB -1.109 41.108 42.059 0.263 0.000 0.894 378 L HN 0.463 nan 8.230 nan 0.000 0.432 379 E N -0.530 119.842 120.200 0.288 0.000 2.023 379 E HA -0.233 4.118 4.350 0.002 0.000 0.196 379 E C 1.860 178.481 176.600 0.034 0.000 1.003 379 E CA 1.729 58.190 56.400 0.101 0.000 0.809 379 E CB -0.023 29.701 29.700 0.040 0.000 0.755 379 E HN 0.421 nan 8.360 nan 0.000 0.449 380 D N -0.222 120.214 120.400 0.060 0.000 2.127 380 D HA -0.189 4.452 4.640 0.002 0.000 0.190 380 D C 2.079 178.408 176.300 0.048 0.000 1.000 380 D CA 1.752 55.772 54.000 0.032 0.000 0.839 380 D CB -0.542 40.291 40.800 0.054 0.000 0.955 380 D HN 0.136 nan 8.370 nan 0.000 0.446 381 V N 1.450 121.450 119.914 0.144 0.000 2.469 381 V HA -0.249 3.872 4.120 0.002 0.000 0.251 381 V C 2.469 178.682 176.094 0.199 0.000 1.064 381 V CA 1.728 64.181 62.300 0.254 0.000 1.066 381 V CB -0.804 31.227 31.823 0.346 0.000 0.667 381 V HN 0.201 nan 8.190 nan 0.000 0.461 382 A N -0.058 122.856 122.820 0.156 0.000 1.841 382 A HA -0.154 4.167 4.320 0.002 0.000 0.214 382 A C 2.396 179.946 177.584 -0.057 0.000 1.195 382 A CA 2.030 54.136 52.037 0.114 0.000 0.611 382 A CB -0.838 18.223 19.000 0.102 0.000 0.835 382 A HN 0.297 nan 8.150 nan 0.000 0.443 383 V N -0.503 119.328 119.914 -0.138 0.000 2.392 383 V HA -0.344 3.777 4.120 0.002 0.000 0.249 383 V C 2.574 178.509 176.094 -0.265 0.000 1.059 383 V CA 2.082 64.266 62.300 -0.194 0.000 1.051 383 V CB -1.054 30.662 31.823 -0.179 0.000 0.658 383 V HN 0.713 nan 8.190 nan 0.000 0.455 384 C N -0.715 118.385 119.300 -0.332 0.000 2.437 384 C HA -0.036 4.425 4.460 0.002 0.000 0.283 384 C C 2.395 176.802 174.990 -0.971 0.000 1.424 384 C CA 0.813 59.374 59.018 -0.762 0.000 1.782 384 C CB -1.151 26.042 27.740 -0.912 0.000 1.833 384 C HN 0.544 nan 8.230 nan 0.000 0.532 385 M N -0.203 119.172 119.600 -0.374 0.000 2.371 385 M HA 0.107 4.588 4.480 0.002 0.000 0.246 385 M C 0.103 176.341 176.300 -0.103 0.000 1.103 385 M CA 0.381 55.616 55.300 -0.108 0.000 1.010 385 M CB 0.018 32.706 32.600 0.147 0.000 1.457 385 M HN 0.121 nan 8.290 nan 0.000 0.486 386 D N 2.250 122.546 120.400 -0.173 0.000 2.956 386 D HA -0.158 4.483 4.640 0.002 0.000 0.240 386 D C -1.466 174.792 176.300 -0.070 0.000 1.141 386 D CA 0.653 54.575 54.000 -0.130 0.000 0.820 386 D CB -0.807 39.922 40.800 -0.118 0.000 0.988 386 D HN 0.286 nan 8.370 nan 0.000 0.417 387 L N 1.189 122.366 121.223 -0.075 0.000 2.342 387 L HA 0.384 4.725 4.340 0.002 0.000 0.271 387 L C 0.719 177.524 176.870 -0.107 0.000 1.008 387 L CA -1.135 53.688 54.840 -0.028 0.000 0.818 387 L CB 1.539 43.641 42.059 0.071 0.000 1.296 387 L HN 0.020 nan 8.230 nan 0.000 0.427 388 D N 1.538 121.909 120.400 -0.048 0.000 2.385 388 D HA -0.039 4.602 4.640 0.002 0.000 0.260 388 D C 0.957 177.146 176.300 -0.184 0.000 1.326 388 D CA 0.016 53.970 54.000 -0.077 0.000 1.023 388 D CB 0.742 41.546 40.800 0.007 0.000 1.083 388 D HN 0.635 nan 8.370 nan 0.000 0.517 389 T N 0.861 115.135 114.554 -0.467 0.000 3.324 389 T HA 0.139 4.490 4.350 0.002 0.000 0.250 389 T C 1.383 175.841 174.700 -0.403 0.000 1.059 389 T CA -0.193 61.287 62.100 -1.033 0.000 0.951 389 T CB -0.012 68.067 68.868 -1.316 0.000 1.030 389 T HN 0.269 nan 8.240 nan 0.000 0.576 390 R N 1.237 121.649 120.500 -0.148 0.000 2.100 390 R HA 0.128 4.469 4.340 0.002 0.000 0.220 390 R C 0.998 177.342 176.300 0.073 0.000 1.091 390 R CA 1.091 57.170 56.100 -0.035 0.000 0.986 390 R CB -0.095 30.189 30.300 -0.028 0.000 0.888 390 R HN 0.590 nan 8.270 nan 0.000 0.444 391 T N -2.587 112.054 114.554 0.145 0.000 2.900 391 T HA 0.172 4.523 4.350 0.002 0.000 0.295 391 T C 1.049 175.925 174.700 0.294 0.000 1.044 391 T CA -0.584 61.626 62.100 0.183 0.000 0.995 391 T CB 2.111 71.045 68.868 0.109 0.000 1.072 391 T HN 0.136 nan 8.240 nan 0.000 0.473 392 T N -0.292 114.385 114.554 0.206 0.000 2.788 392 T HA -0.159 4.192 4.350 0.002 0.000 0.268 392 T C 2.119 176.843 174.700 0.040 0.000 1.044 392 T CA 1.589 63.743 62.100 0.091 0.000 1.139 392 T CB -1.113 67.769 68.868 0.023 0.000 0.867 392 T HN 0.879 nan 8.240 nan 0.000 0.454 393 S N 2.181 117.919 115.700 0.063 0.000 2.537 393 S HA -0.094 4.377 4.470 0.002 0.000 0.240 393 S C 2.104 176.741 174.600 0.061 0.000 0.981 393 S CA 0.946 59.173 58.200 0.044 0.000 0.948 393 S CB -0.928 62.297 63.200 0.041 0.000 0.759 393 S HN 0.802 nan 8.310 nan 0.000 0.531 394 S N 1.520 117.290 115.700 0.117 0.000 2.527 394 S HA 0.243 4.714 4.470 0.002 0.000 0.222 394 S C 0.976 175.644 174.600 0.113 0.000 0.985 394 S CA 0.211 58.493 58.200 0.136 0.000 0.921 394 S CB -0.902 62.426 63.200 0.213 0.000 0.772 394 S HN 0.620 nan 8.310 nan 0.000 0.529 395 L N 0.743 121.988 121.223 0.036 0.000 3.865 395 L HA -0.179 4.162 4.340 0.002 0.000 0.408 395 L C 1.670 178.524 176.870 -0.027 0.000 1.209 395 L CA 0.723 55.528 54.840 -0.059 0.000 0.940 395 L CB -2.607 39.441 42.059 -0.020 0.000 1.971 395 L HN 0.731 nan 8.230 nan 0.000 0.899 396 W N 0.204 121.515 121.300 0.019 0.000 2.338 396 W HA -0.180 4.481 4.660 0.001 0.000 0.304 396 W C 1.767 178.304 176.519 0.030 0.000 1.212 396 W CA 1.440 58.800 57.345 0.024 0.000 1.264 396 W CB -0.805 28.666 29.460 0.019 0.000 1.142 396 W HN 0.266 nan 8.180 nan 0.000 0.512 397 K N 1.097 121.054 120.400 -0.738 0.000 2.032 397 K HA -0.189 4.132 4.320 0.002 0.000 0.209 397 K C 1.535 178.000 176.600 -0.226 0.000 1.048 397 K CA 2.519 58.414 56.287 -0.654 0.000 0.927 397 K CB -0.419 31.504 32.500 -0.961 0.000 0.712 397 K HN 0.092 nan 8.250 nan 0.000 0.441 398 D N 0.563 120.846 120.400 -0.194 0.000 2.117 398 D HA -0.123 4.518 4.640 0.002 0.000 0.197 398 D C 1.694 177.985 176.300 -0.016 0.000 0.987 398 D CA 1.171 55.116 54.000 -0.092 0.000 0.829 398 D CB -0.000 40.752 40.800 -0.079 0.000 0.961 398 D HN 0.123 nan 8.370 nan 0.000 0.460 399 K N 0.497 120.912 120.400 0.025 0.000 2.026 399 K HA -0.055 4.266 4.320 0.002 0.000 0.208 399 K C 2.226 178.891 176.600 0.107 0.000 1.048 399 K CA 1.200 57.534 56.287 0.077 0.000 0.929 399 K CB -0.191 32.376 32.500 0.112 0.000 0.713 399 K HN 0.105 nan 8.250 nan 0.000 0.439 400 A N 1.542 124.450 122.820 0.147 0.000 1.877 400 A HA -0.114 4.207 4.320 0.002 0.000 0.216 400 A C 2.394 180.059 177.584 0.136 0.000 1.186 400 A CA 1.824 53.975 52.037 0.189 0.000 0.620 400 A CB -0.751 18.409 19.000 0.267 0.000 0.822 400 A HN 0.339 nan 8.150 nan 0.000 0.443 401 A N -0.563 122.299 122.820 0.071 0.000 1.917 401 A HA -0.081 4.240 4.320 0.002 0.000 0.219 401 A C 2.241 179.835 177.584 0.016 0.000 1.182 401 A CA 1.975 54.026 52.037 0.023 0.000 0.633 401 A CB -1.004 17.974 19.000 -0.036 0.000 0.819 401 A HN 0.420 nan 8.150 nan 0.000 0.448 402 V N 0.152 120.084 119.914 0.029 0.000 2.343 402 V HA -0.194 3.927 4.120 0.002 0.000 0.247 402 V C 2.571 178.696 176.094 0.052 0.000 1.051 402 V CA 2.125 64.446 62.300 0.036 0.000 1.036 402 V CB -0.647 31.206 31.823 0.050 0.000 0.654 402 V HN 0.518 nan 8.190 nan 0.000 0.451 403 E N -0.035 120.216 120.200 0.086 0.000 2.106 403 E HA -0.125 4.226 4.350 0.002 0.000 0.192 403 E C 2.121 178.744 176.600 0.038 0.000 0.984 403 E CA 1.207 57.680 56.400 0.121 0.000 0.806 403 E CB -0.288 29.468 29.700 0.094 0.000 0.750 403 E HN 0.578 nan 8.360 nan 0.000 0.458 404 I N 1.242 121.850 120.570 0.062 0.000 2.179 404 I HA -0.286 3.885 4.170 0.002 0.000 0.242 404 I C 1.722 177.805 176.117 -0.056 0.000 1.088 404 I CA 1.115 62.444 61.300 0.048 0.000 1.357 404 I CB -0.351 37.734 38.000 0.141 0.000 1.051 404 I HN 0.044 nan 8.210 nan 0.000 0.409 405 N N 0.641 119.308 118.700 -0.056 0.000 2.223 405 N HA -0.176 4.565 4.740 0.002 0.000 0.185 405 N C 1.672 177.127 175.510 -0.092 0.000 1.016 405 N CA 0.871 53.867 53.050 -0.092 0.000 0.863 405 N CB -0.167 38.273 38.487 -0.079 0.000 0.983 405 N HN 0.163 nan 8.380 nan 0.000 0.429 406 L N 0.488 121.655 121.223 -0.094 0.000 2.056 406 L HA 0.022 4.363 4.340 0.002 0.000 0.207 406 L C 2.040 178.761 176.870 -0.248 0.000 1.078 406 L CA 1.200 55.947 54.840 -0.155 0.000 0.749 406 L CB -0.719 41.230 42.059 -0.184 0.000 0.901 406 L HN 0.150 nan 8.230 nan 0.000 0.433 407 A N -1.220 121.397 122.820 -0.339 0.000 1.883 407 A HA -0.172 4.149 4.320 0.002 0.000 0.217 407 A C 2.275 179.788 177.584 -0.119 0.000 1.186 407 A CA 2.037 53.842 52.037 -0.387 0.000 0.624 407 A CB -1.113 17.406 19.000 -0.801 0.000 0.822 407 A HN 0.262 nan 8.150 nan 0.000 0.444 408 V N 0.038 119.894 119.914 -0.097 0.000 2.255 408 V HA -0.303 3.818 4.120 0.002 0.000 0.247 408 V C 2.600 178.680 176.094 -0.023 0.000 1.051 408 V CA 2.198 64.466 62.300 -0.054 0.000 1.018 408 V CB -0.798 30.897 31.823 -0.212 0.000 0.641 408 V HN 0.585 nan 8.190 nan 0.000 0.445 409 L N -0.785 120.395 121.223 -0.071 0.000 2.042 409 L HA -0.236 4.105 4.340 0.002 0.000 0.210 409 L C 2.571 179.464 176.870 0.038 0.000 1.076 409 L CA 2.095 56.918 54.840 -0.029 0.000 0.749 409 L CB -0.707 41.334 42.059 -0.030 0.000 0.893 409 L HN 0.512 nan 8.230 nan 0.000 0.432 410 H N -0.451 118.573 119.070 -0.077 0.000 2.276 410 H HA -0.133 4.424 4.556 0.002 0.000 0.301 410 H C 2.399 177.715 175.328 -0.019 0.000 1.073 410 H CA 1.964 57.960 56.048 -0.086 0.000 1.311 410 H CB -0.137 29.509 29.762 -0.194 0.000 1.379 410 H HN 0.115 nan 8.280 nan 0.000 0.494 411 S N -0.132 115.530 115.700 -0.064 0.000 2.368 411 S HA -0.219 4.252 4.470 0.002 0.000 0.226 411 S C 2.126 176.707 174.600 -0.030 0.000 1.044 411 S CA 1.708 59.868 58.200 -0.067 0.000 1.062 411 S CB -0.771 62.486 63.200 0.096 0.000 0.931 411 S HN 0.405 nan 8.310 nan 0.000 0.440 412 F N 1.424 121.308 119.950 -0.110 0.000 2.134 412 F HA -0.160 4.368 4.527 0.002 0.000 0.299 412 F C 2.839 178.576 175.800 -0.104 0.000 1.097 412 F CA 1.217 59.172 58.000 -0.074 0.000 1.264 412 F CB -0.265 38.715 39.000 -0.033 0.000 1.001 412 F HN 0.193 nan 8.300 nan 0.000 0.479 413 Q N -0.408 119.418 119.800 0.044 0.000 2.291 413 Q HA -0.178 4.163 4.340 0.002 0.000 0.205 413 Q C 1.998 177.925 176.000 -0.122 0.000 0.970 413 Q CA 0.848 56.627 55.803 -0.039 0.000 0.876 413 Q CB -0.126 28.587 28.738 -0.041 0.000 0.935 413 Q HN 0.359 nan 8.270 nan 0.000 0.455 414 L N -0.528 120.563 121.223 -0.220 0.000 2.095 414 L HA 0.058 4.399 4.340 0.002 0.000 0.204 414 L C 1.777 178.552 176.870 -0.159 0.000 1.080 414 L CA 1.472 56.167 54.840 -0.242 0.000 0.759 414 L CB -0.328 41.502 42.059 -0.383 0.000 0.914 414 L HN 0.083 nan 8.230 nan 0.000 0.439 415 A N -1.264 121.459 122.820 -0.163 0.000 2.238 415 A HA 0.013 4.334 4.320 0.002 0.000 0.208 415 A C 0.886 178.393 177.584 -0.127 0.000 1.177 415 A CA 0.038 51.981 52.037 -0.157 0.000 0.804 415 A CB -0.554 18.307 19.000 -0.232 0.000 0.823 415 A HN 0.419 nan 8.150 nan 0.000 0.482 416 K N -0.863 119.477 120.400 -0.100 0.000 3.419 416 K HA -0.127 4.194 4.320 0.002 0.000 0.272 416 K C -1.001 175.560 176.600 -0.066 0.000 0.973 416 K CA 0.661 56.904 56.287 -0.072 0.000 0.749 416 K CB -1.811 30.649 32.500 -0.067 0.000 1.403 416 K HN 0.232 nan 8.250 nan 0.000 0.456 417 V N 1.274 121.159 119.914 -0.048 0.000 2.483 417 V HA 0.129 4.250 4.120 0.002 0.000 0.297 417 V C 0.573 176.745 176.094 0.130 0.000 1.027 417 V CA -0.818 61.481 62.300 -0.002 0.000 0.855 417 V CB 2.006 33.743 31.823 -0.143 0.000 0.995 417 V HN 0.342 nan 8.190 nan 0.000 0.424 418 T N 6.298 120.879 114.554 0.045 0.000 2.891 418 T HA 0.303 4.654 4.350 0.002 0.000 0.296 418 T C -0.240 174.515 174.700 0.092 0.000 1.025 418 T CA 1.105 63.157 62.100 -0.080 0.000 1.149 418 T CB 0.010 68.675 68.868 -0.339 0.000 1.007 418 T HN 0.578 nan 8.240 nan 0.000 0.528 419 I N 2.403 122.976 120.570 0.006 0.000 2.947 419 I HA 0.643 4.814 4.170 0.002 0.000 0.301 419 I C -1.654 174.498 176.117 0.058 0.000 1.453 419 I CA -0.898 60.454 61.300 0.088 0.000 0.984 419 I CB 1.997 39.997 38.000 -0.001 0.000 1.333 419 I HN 0.463 nan 8.210 nan 0.000 0.475 420 V N 4.827 124.822 119.914 0.135 0.000 2.733 420 V HA 0.498 4.619 4.120 0.002 0.000 0.306 420 V C -1.355 174.794 176.094 0.091 0.000 1.084 420 V CA -0.292 62.089 62.300 0.134 0.000 0.905 420 V CB 2.190 34.178 31.823 0.275 0.000 1.010 420 V HN 0.889 nan 8.190 nan 0.000 0.424 421 D N 4.002 124.436 120.400 0.057 0.000 2.383 421 D HA 0.206 4.847 4.640 0.002 0.000 0.248 421 D C 1.242 177.555 176.300 0.021 0.000 1.170 421 D CA 0.169 54.196 54.000 0.044 0.000 0.977 421 D CB 0.449 41.247 40.800 -0.004 0.000 1.120 421 D HN 0.732 nan 8.370 nan 0.000 0.481 422 H N -0.515 118.477 119.070 -0.130 0.000 2.521 422 H HA -0.104 4.453 4.556 0.002 0.000 0.286 422 H C 0.843 176.063 175.328 -0.180 0.000 1.034 422 H CA 1.211 57.148 56.048 -0.186 0.000 1.278 422 H CB -0.480 29.113 29.762 -0.280 0.000 1.386 422 H HN 0.505 nan 8.280 nan 0.000 0.567 423 H N 0.986 119.865 119.070 -0.318 0.000 2.329 423 H HA 0.231 4.788 4.556 0.002 0.000 0.306 423 H C 2.520 177.820 175.328 -0.047 0.000 1.062 423 H CA 1.190 57.132 56.048 -0.176 0.000 1.364 423 H CB -0.318 29.308 29.762 -0.227 0.000 1.409 423 H HN 0.468 nan 8.280 nan 0.000 0.519 424 A N 1.616 124.489 122.820 0.088 0.000 1.883 424 A HA -0.137 4.184 4.320 0.002 0.000 0.217 424 A C 2.682 180.333 177.584 0.111 0.000 1.186 424 A CA 2.001 54.092 52.037 0.089 0.000 0.624 424 A CB -0.930 18.115 19.000 0.075 0.000 0.822 424 A HN 0.432 nan 8.150 nan 0.000 0.444 425 A N -0.268 122.617 122.820 0.108 0.000 1.883 425 A HA -0.150 4.171 4.320 0.002 0.000 0.217 425 A C 2.445 180.123 177.584 0.156 0.000 1.186 425 A CA 2.762 54.881 52.037 0.136 0.000 0.624 425 A CB -1.484 17.585 19.000 0.114 0.000 0.822 425 A HN 0.803 nan 8.150 nan 0.000 0.444 426 T N -2.813 111.818 114.554 0.128 0.000 2.951 426 T HA -0.033 4.318 4.350 0.002 0.000 0.268 426 T C 1.670 176.497 174.700 0.212 0.000 1.073 426 T CA 1.198 63.401 62.100 0.172 0.000 1.134 426 T CB -0.592 68.343 68.868 0.112 0.000 0.884 426 T HN 0.055 nan 8.240 nan 0.000 0.479 427 V N 2.887 122.899 119.914 0.163 0.000 2.295 427 V HA -0.183 3.938 4.120 0.002 0.000 0.246 427 V C 3.211 179.392 176.094 0.144 0.000 1.049 427 V CA 2.188 64.573 62.300 0.141 0.000 1.024 427 V CB -0.982 30.906 31.823 0.109 0.000 0.648 427 V HN 0.790 nan 8.190 nan 0.000 0.447 428 S N -0.393 115.402 115.700 0.159 0.000 2.402 428 S HA -0.206 4.265 4.470 0.002 0.000 0.229 428 S C 1.953 176.667 174.600 0.190 0.000 1.021 428 S CA 1.481 59.775 58.200 0.156 0.000 0.974 428 S CB -0.706 62.591 63.200 0.161 0.000 0.800 428 S HN 0.503 nan 8.310 nan 0.000 0.484 429 F N 2.030 122.042 119.950 0.103 0.000 2.186 429 F HA 0.119 4.647 4.527 0.002 0.000 0.299 429 F C 2.242 178.128 175.800 0.143 0.000 1.090 429 F CA 1.044 59.119 58.000 0.124 0.000 1.307 429 F CB -0.344 38.707 39.000 0.085 0.000 1.019 429 F HN 0.097 nan 8.300 nan 0.000 0.489 430 M N 0.282 119.942 119.600 0.098 0.000 2.080 430 M HA -0.217 4.264 4.480 0.002 0.000 0.260 430 M C 2.258 178.527 176.300 -0.050 0.000 1.068 430 M CA 1.667 56.978 55.300 0.019 0.000 1.109 430 M CB -1.303 31.354 32.600 0.095 0.000 1.342 430 M HN 0.067 nan 8.290 nan 0.000 0.405 431 K N -0.613 119.790 120.400 0.005 0.000 2.063 431 K HA -0.226 4.095 4.320 0.002 0.000 0.208 431 K C 2.028 178.605 176.600 -0.038 0.000 1.048 431 K CA 1.833 58.120 56.287 0.000 0.000 0.928 431 K CB -0.510 32.015 32.500 0.042 0.000 0.713 431 K HN 0.379 nan 8.250 nan 0.000 0.442 432 H N -0.038 118.939 119.070 -0.155 0.000 2.352 432 H HA -0.030 4.527 4.556 0.002 0.000 0.299 432 H C 1.660 176.826 175.328 -0.270 0.000 1.097 432 H CA 2.127 58.058 56.048 -0.195 0.000 1.311 432 H CB -0.167 29.451 29.762 -0.241 0.000 1.377 432 H HN 0.177 nan 8.280 nan 0.000 0.504 433 L N -0.202 120.731 121.223 -0.483 0.000 2.127 433 L HA -0.165 4.176 4.340 0.002 0.000 0.211 433 L C 2.230 178.947 176.870 -0.256 0.000 1.089 433 L CA 1.597 56.192 54.840 -0.409 0.000 0.757 433 L CB -0.388 41.489 42.059 -0.303 0.000 0.899 433 L HN 0.379 nan 8.230 nan 0.000 0.434 434 D N 0.020 120.308 120.400 -0.187 0.000 2.103 434 D HA -0.162 4.479 4.640 0.002 0.000 0.199 434 D C 1.909 178.137 176.300 -0.121 0.000 0.978 434 D CA 1.121 55.051 54.000 -0.117 0.000 0.829 434 D CB 0.021 40.779 40.800 -0.070 0.000 0.981 434 D HN 0.159 nan 8.370 nan 0.000 0.464 435 N N 0.699 119.317 118.700 -0.137 0.000 2.166 435 N HA -0.127 4.614 4.740 0.002 0.000 0.186 435 N C 1.592 177.025 175.510 -0.129 0.000 1.019 435 N CA 0.744 53.736 53.050 -0.097 0.000 0.856 435 N CB -0.233 38.226 38.487 -0.046 0.000 0.993 435 N HN 0.342 nan 8.380 nan 0.000 0.426 436 E N 0.774 120.815 120.200 -0.265 0.000 2.152 436 E HA -0.140 4.211 4.350 0.002 0.000 0.192 436 E C 1.903 178.417 176.600 -0.142 0.000 0.983 436 E CA 0.569 56.817 56.400 -0.253 0.000 0.818 436 E CB -0.081 29.359 29.700 -0.434 0.000 0.758 436 E HN 0.319 nan 8.360 nan 0.000 0.467 437 Q N 1.493 121.216 119.800 -0.128 0.000 2.050 437 Q HA -0.122 4.219 4.340 0.002 0.000 0.202 437 Q C 1.791 177.759 176.000 -0.053 0.000 0.980 437 Q CA 1.779 57.537 55.803 -0.074 0.000 0.840 437 Q CB -0.006 28.691 28.738 -0.069 0.000 0.898 437 Q HN 0.114 nan 8.270 nan 0.000 0.424 438 K N -0.733 119.636 120.400 -0.052 0.000 2.148 438 K HA 0.007 4.328 4.320 0.002 0.000 0.204 438 K C 1.954 178.538 176.600 -0.027 0.000 1.050 438 K CA 1.016 57.282 56.287 -0.035 0.000 0.942 438 K CB -0.120 32.362 32.500 -0.030 0.000 0.724 438 K HN 0.243 nan 8.250 nan 0.000 0.446 439 A N 1.178 123.981 122.820 -0.028 0.000 1.874 439 A HA -0.018 4.303 4.320 0.002 0.000 0.214 439 A C 1.844 179.421 177.584 -0.010 0.000 1.189 439 A CA 1.008 53.041 52.037 -0.007 0.000 0.615 439 A CB 0.023 19.033 19.000 0.018 0.000 0.830 439 A HN 0.125 nan 8.150 nan 0.000 0.443 440 R N -2.486 117.999 120.500 -0.026 0.000 2.487 440 R HA 0.274 4.615 4.340 0.002 0.000 0.272 440 R C 0.897 177.189 176.300 -0.013 0.000 0.928 440 R CA 0.578 56.668 56.100 -0.017 0.000 1.077 440 R CB 0.774 31.061 30.300 -0.022 0.000 1.265 440 R HN 0.686 nan 8.270 nan 0.000 0.537 441 G N 0.487 109.275 108.800 -0.021 0.000 2.141 441 G HA2 -0.166 3.795 3.960 0.002 0.000 0.231 441 G HA3 -0.166 3.795 3.960 0.002 0.000 0.231 441 G C 0.215 175.121 174.900 0.011 0.000 0.984 441 G CA -0.182 44.908 45.100 -0.018 0.000 0.660 441 G HN 0.717 nan 8.290 nan 0.000 0.525 442 G N -2.222 106.588 108.800 0.016 0.000 2.341 442 G HA2 0.556 4.517 3.960 0.002 0.000 0.293 442 G HA3 0.556 4.517 3.960 0.002 0.000 0.293 442 G C -0.876 174.057 174.900 0.055 0.000 1.298 442 G CA 0.549 45.685 45.100 0.061 0.000 0.868 442 G HN 1.995 nan 8.290 nan 0.000 0.540 443 C N 1.786 121.150 119.300 0.106 0.000 2.924 443 C HA 0.708 5.169 4.460 0.002 0.000 0.400 443 C C -2.633 172.382 174.990 0.041 0.000 1.032 443 C CA -1.025 58.016 59.018 0.038 0.000 1.236 443 C CB 1.314 29.009 27.740 -0.075 0.000 1.660 443 C HN 0.746 nan 8.230 nan 0.000 0.510 444 P HA 0.437 nan 4.420 nan 0.000 0.271 444 P C -0.653 176.571 177.300 -0.126 0.000 1.220 444 P CA 0.515 63.316 63.100 -0.498 0.000 0.768 444 P CB 1.253 32.331 31.700 -1.036 0.000 0.848 445 A N 2.562 125.369 122.820 -0.023 0.000 2.520 445 A HA 0.454 4.775 4.320 0.002 0.000 0.298 445 A C -1.236 176.401 177.584 0.088 0.000 1.051 445 A CA -0.544 51.554 52.037 0.101 0.000 0.690 445 A CB 1.392 20.564 19.000 0.286 0.000 1.281 445 A HN 0.444 nan 8.150 nan 0.000 0.402 446 D N 1.649 122.090 120.400 0.068 0.000 2.454 446 D HA 0.200 4.841 4.640 0.002 0.000 0.225 446 D C 0.792 177.219 176.300 0.211 0.000 1.081 446 D CA -0.537 53.534 54.000 0.118 0.000 0.864 446 D CB 0.393 41.199 40.800 0.009 0.000 1.040 446 D HN 0.563 nan 8.370 nan 0.000 0.517 447 W N 4.399 125.741 121.300 0.069 0.000 2.304 447 W HA -0.307 4.354 4.660 0.002 0.000 0.315 447 W C 1.922 178.480 176.519 0.066 0.000 1.233 447 W CA 2.474 59.848 57.345 0.048 0.000 1.261 447 W CB -0.029 29.433 29.460 0.004 0.000 1.150 447 W HN 0.557 nan 8.180 nan 0.000 0.494 448 A N -1.131 122.003 122.820 0.523 0.000 2.024 448 A HA -0.216 4.105 4.320 0.002 0.000 0.220 448 A C 1.471 179.131 177.584 0.126 0.000 1.164 448 A CA 1.729 53.990 52.037 0.373 0.000 0.643 448 A CB -1.273 17.977 19.000 0.417 0.000 0.806 448 A HN 0.558 nan 8.150 nan 0.000 0.451 449 W N -0.956 120.308 121.300 -0.059 0.000 2.704 449 W HA 0.213 4.874 4.660 0.002 0.000 0.266 449 W C 1.857 178.253 176.519 -0.204 0.000 1.266 449 W CA -0.156 57.129 57.345 -0.100 0.000 1.377 449 W CB -0.088 29.342 29.460 -0.050 0.000 1.082 449 W HN 0.135 nan 8.180 nan 0.000 0.608 450 I N -0.084 120.432 120.570 -0.090 0.000 2.353 450 I HA -0.075 4.096 4.170 0.002 0.000 0.248 450 I C 0.625 176.536 176.117 -0.343 0.000 1.119 450 I CA 0.825 61.946 61.300 -0.298 0.000 1.417 450 I CB -1.464 36.303 38.000 -0.389 0.000 1.078 450 I HN -0.408 nan 8.210 nan 0.000 0.421 451 V N 4.028 123.645 119.914 -0.495 0.000 2.479 451 V HA 0.087 4.208 4.120 0.002 0.000 0.281 451 V C -1.845 174.074 176.094 -0.292 0.000 1.031 451 V CA -1.105 60.907 62.300 -0.481 0.000 1.038 451 V CB 0.032 31.330 31.823 -0.876 0.000 0.981 451 V HN 0.131 nan 8.190 nan 0.000 0.478 452 P HA 0.075 nan 4.420 nan 0.000 0.270 452 P C -1.798 175.378 177.300 -0.207 0.000 1.221 452 P CA -0.924 62.057 63.100 -0.197 0.000 0.788 452 P CB -0.025 31.573 31.700 -0.170 0.000 0.904 453 P HA 0.033 nan 4.420 nan 0.000 0.241 453 P C 0.161 177.351 177.300 -0.183 0.000 1.191 453 P CA 1.049 64.029 63.100 -0.201 0.000 0.771 453 P CB 0.035 31.607 31.700 -0.214 0.000 0.929 454 I N -6.691 113.740 120.570 -0.232 0.000 2.969 454 I HA 0.455 4.626 4.170 0.002 0.000 0.307 454 I C -0.161 175.866 176.117 -0.149 0.000 1.149 454 I CA -1.352 59.833 61.300 -0.191 0.000 1.008 454 I CB 1.849 39.708 38.000 -0.235 0.000 1.232 454 I HN -0.424 nan 8.210 nan 0.000 0.435 455 S N 2.038 117.698 115.700 -0.067 0.000 3.491 455 S HA -0.188 4.283 4.470 0.002 0.000 0.371 455 S C 1.312 175.902 174.600 -0.017 0.000 0.980 455 S CA 0.753 58.954 58.200 0.001 0.000 1.204 455 S CB -1.549 61.731 63.200 0.133 0.000 0.915 455 S HN 1.205 nan 8.310 nan 0.000 0.482 456 G N 2.116 110.876 108.800 -0.067 0.000 2.491 456 G HA2 -0.258 3.703 3.960 0.002 0.000 0.218 456 G HA3 -0.258 3.703 3.960 0.002 0.000 0.218 456 G C 1.430 176.227 174.900 -0.173 0.000 1.180 456 G CA 1.252 46.324 45.100 -0.046 0.000 0.774 456 G HN 1.155 nan 8.290 nan 0.000 0.562 457 S N 0.263 115.609 115.700 -0.590 0.000 2.561 457 S HA 0.187 4.658 4.470 0.002 0.000 0.225 457 S C 1.960 176.498 174.600 -0.104 0.000 0.977 457 S CA 0.264 57.989 58.200 -0.792 0.000 0.926 457 S CB -0.168 62.379 63.200 -1.088 0.000 0.769 457 S HN 0.296 nan 8.310 nan 0.000 0.533 458 L N 2.226 123.443 121.223 -0.011 0.000 2.599 458 L HA 0.174 4.515 4.340 0.002 0.000 0.230 458 L C 0.996 177.990 176.870 0.207 0.000 1.141 458 L CA 0.266 55.179 54.840 0.122 0.000 0.877 458 L CB -0.928 41.228 42.059 0.161 0.000 1.009 458 L HN 0.466 nan 8.230 nan 0.000 0.447 459 T N -4.650 110.013 114.554 0.183 0.000 2.885 459 T HA 0.343 4.694 4.350 0.002 0.000 0.285 459 T C -1.755 173.096 174.700 0.251 0.000 1.019 459 T CA -2.040 60.186 62.100 0.210 0.000 1.010 459 T CB 2.168 71.114 68.868 0.131 0.000 1.022 459 T HN -0.224 nan 8.240 nan 0.000 0.466 460 P HA -0.130 nan 4.420 nan 0.000 0.219 460 P C 1.758 179.235 177.300 0.294 0.000 1.146 460 P CA 1.167 64.445 63.100 0.297 0.000 0.808 460 P CB -0.334 31.496 31.700 0.216 0.000 0.779 461 V N -3.622 116.420 119.914 0.213 0.000 2.515 461 V HA -0.183 3.938 4.120 0.002 0.000 0.250 461 V C 2.444 178.611 176.094 0.122 0.000 1.058 461 V CA 1.214 63.609 62.300 0.159 0.000 1.064 461 V CB -2.254 29.596 31.823 0.045 0.000 0.675 461 V HN -0.100 nan 8.190 nan 0.000 0.461 462 F N 1.557 121.462 119.950 -0.074 0.000 2.161 462 F HA -0.178 4.350 4.527 0.001 0.000 0.300 462 F C 2.444 178.336 175.800 0.153 0.000 1.089 462 F CA 2.154 60.135 58.000 -0.031 0.000 1.282 462 F CB -0.220 38.642 39.000 -0.230 0.000 1.010 462 F HN 0.250 nan 8.300 nan 0.000 0.485 463 H N -0.932 118.477 119.070 0.565 0.000 2.539 463 H HA 0.113 4.670 4.556 0.002 0.000 0.267 463 H C 0.280 175.862 175.328 0.423 0.000 0.982 463 H CA 0.256 56.593 56.048 0.481 0.000 1.146 463 H CB -0.220 29.791 29.762 0.415 0.000 1.382 463 H HN 0.253 nan 8.280 nan 0.000 0.577 464 Q N 1.864 121.935 119.800 0.452 0.000 2.314 464 Q HA 0.166 4.507 4.340 0.002 0.000 0.259 464 Q C -0.461 175.780 176.000 0.401 0.000 0.951 464 Q CA -0.387 55.641 55.803 0.374 0.000 0.909 464 Q CB 0.850 29.770 28.738 0.303 0.000 1.236 464 Q HN 0.243 nan 8.270 nan 0.000 0.444 465 E N 3.244 123.637 120.200 0.321 0.000 2.390 465 E HA 0.352 4.703 4.350 0.002 0.000 0.261 465 E C -0.476 176.273 176.600 0.249 0.000 1.076 465 E CA 0.112 56.664 56.400 0.252 0.000 0.905 465 E CB 0.873 30.706 29.700 0.222 0.000 0.984 465 E HN 0.595 nan 8.360 nan 0.000 0.427 466 M N 1.059 120.801 119.600 0.236 0.000 2.484 466 M HA 0.351 4.832 4.480 0.002 0.000 0.289 466 M C -1.286 175.131 176.300 0.195 0.000 1.206 466 M CA -0.948 54.493 55.300 0.236 0.000 0.892 466 M CB 2.396 35.181 32.600 0.308 0.000 1.712 466 M HN 0.130 nan 8.290 nan 0.000 0.462 467 V N 1.966 122.006 119.914 0.210 0.000 2.417 467 V HA 0.479 4.600 4.120 0.002 0.000 0.291 467 V C -0.735 175.502 176.094 0.238 0.000 1.024 467 V CA -0.647 61.805 62.300 0.254 0.000 0.861 467 V CB 1.642 33.665 31.823 0.333 0.000 0.985 467 V HN 0.837 nan 8.190 nan 0.000 0.436 468 N N 4.027 122.845 118.700 0.197 0.000 2.372 468 N HA 0.690 5.431 4.740 0.002 0.000 0.291 468 N C -1.116 174.465 175.510 0.120 0.000 1.024 468 N CA -0.436 52.633 53.050 0.031 0.000 0.873 468 N CB 1.409 39.917 38.487 0.034 0.000 1.206 468 N HN 0.650 nan 8.380 nan 0.000 0.486 469 Y N 0.197 120.518 120.300 0.035 0.000 2.764 469 Y HA 0.570 5.120 4.550 0.002 0.000 0.331 469 Y C -1.173 174.735 175.900 0.013 0.000 1.280 469 Y CA -1.266 56.848 58.100 0.024 0.000 1.065 469 Y CB 0.885 39.363 38.460 0.030 0.000 1.319 469 Y HN 0.194 nan 8.280 nan 0.000 0.453 470 I N 3.215 123.883 120.570 0.164 0.000 2.330 470 I HA 0.359 4.530 4.170 0.002 0.000 0.286 470 I C -0.721 175.463 176.117 0.111 0.000 1.025 470 I CA -0.280 61.062 61.300 0.069 0.000 1.197 470 I CB 0.786 38.814 38.000 0.047 0.000 1.358 470 I HN 0.375 nan 8.210 nan 0.000 0.467 471 L N 4.496 125.754 121.223 0.059 0.000 2.358 471 L HA 0.596 4.937 4.340 0.002 0.000 0.268 471 L C 0.242 177.117 176.870 0.009 0.000 1.032 471 L CA -0.518 54.363 54.840 0.068 0.000 0.805 471 L CB 1.830 43.925 42.059 0.059 0.000 1.253 471 L HN 0.504 nan 8.230 nan 0.000 0.452 472 S N 0.586 116.298 115.700 0.020 0.000 2.536 472 S HA 0.597 5.068 4.470 0.002 0.000 0.287 472 S C -2.619 171.995 174.600 0.024 0.000 1.101 472 S CA -1.423 56.774 58.200 -0.004 0.000 0.950 472 S CB 1.903 65.117 63.200 0.024 0.000 1.056 472 S HN 0.230 nan 8.310 nan 0.000 0.481 473 P HA 0.330 nan 4.420 nan 0.000 0.266 473 P C -1.264 175.912 177.300 -0.207 0.000 1.186 473 P CA 0.116 63.119 63.100 -0.161 0.000 0.767 473 P CB 0.419 31.976 31.700 -0.237 0.000 0.820 474 A N 2.139 124.800 122.820 -0.264 0.000 2.587 474 A HA 0.705 5.026 4.320 0.002 0.000 0.293 474 A C -1.530 175.842 177.584 -0.354 0.000 1.087 474 A CA -0.532 51.359 52.037 -0.244 0.000 0.692 474 A CB 0.916 19.848 19.000 -0.114 0.000 1.291 474 A HN 0.347 nan 8.150 nan 0.000 0.407 475 F N 1.150 121.007 119.950 -0.155 0.000 2.420 475 F HA 0.629 5.157 4.527 0.002 0.000 0.342 475 F C 1.027 176.713 175.800 -0.190 0.000 1.113 475 F CA 0.076 57.971 58.000 -0.175 0.000 1.059 475 F CB 1.708 40.549 39.000 -0.264 0.000 1.128 475 F HN 0.534 nan 8.300 nan 0.000 0.475 476 R N 1.777 122.286 120.500 0.015 0.000 2.888 476 R HA 0.468 4.809 4.340 0.002 0.000 0.266 476 R C -1.558 174.680 176.300 -0.103 0.000 1.020 476 R CA -1.248 54.818 56.100 -0.056 0.000 0.963 476 R CB 1.835 32.137 30.300 0.004 0.000 1.197 476 R HN 0.456 nan 8.270 nan 0.000 0.481 477 Y N 1.142 121.466 120.300 0.039 0.000 2.335 477 Y HA 0.187 4.738 4.550 0.002 0.000 0.323 477 Y C 0.483 176.385 175.900 0.004 0.000 1.224 477 Y CA 0.001 58.116 58.100 0.024 0.000 1.241 477 Y CB 1.289 39.749 38.460 -0.000 0.000 1.235 477 Y HN 0.419 nan 8.280 nan 0.000 0.492 478 Q N 1.479 121.375 119.800 0.160 0.000 2.456 478 Q HA 0.639 4.980 4.340 0.002 0.000 0.284 478 Q C -3.007 172.978 176.000 -0.024 0.000 1.061 478 Q CA -2.443 53.390 55.803 0.050 0.000 0.799 478 Q CB 1.617 30.375 28.738 0.033 0.000 1.445 478 Q HN 0.324 nan 8.270 nan 0.000 0.411 479 P HA -0.000 nan 4.420 nan 0.000 0.267 479 P C -0.945 176.165 177.300 -0.317 0.000 1.201 479 P CA 0.165 63.154 63.100 -0.184 0.000 0.775 479 P CB 0.376 31.980 31.700 -0.161 0.000 0.854 480 D N 2.995 123.070 120.400 -0.540 0.000 2.350 480 D HA 0.045 4.686 4.640 0.002 0.000 0.249 480 D C -1.474 174.244 176.300 -0.971 0.000 1.119 480 D CA -0.851 52.548 54.000 -1.002 0.000 0.886 480 D CB 0.642 40.440 40.800 -1.670 0.000 1.195 480 D HN 0.298 nan 8.370 nan 0.000 0.437 481 P HA 0.037 nan 4.420 nan 0.000 0.271 481 P C -0.832 176.240 177.300 -0.380 0.000 1.535 481 P CA 0.075 62.877 63.100 -0.497 0.000 0.820 481 P CB -0.498 31.027 31.700 -0.292 0.000 1.606 482 W N 0.000 121.054 121.300 -0.410 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.186 57.345 -0.264 0.000 1.226 482 W CB 0.000 29.192 29.460 -0.446 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535