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 1d0c_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKLQTRPSPG DATA SEQUENCE PPPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.395 176.600 -0.342 0.000 0.988 69 K CA 0.000 56.060 56.287 -0.378 0.000 0.838 69 K CB 0.000 32.136 32.500 -0.606 0.000 1.064 70 F N 5.282 125.239 119.950 0.011 0.000 2.438 70 F HA 0.337 4.865 4.527 0.001 0.000 0.356 70 F C -2.006 173.846 175.800 0.087 0.000 1.099 70 F CA -2.069 55.953 58.000 0.036 0.000 1.185 70 F CB 0.190 39.220 39.000 0.049 0.000 1.115 70 F HN -0.145 nan 8.300 nan 0.000 0.526 71 P HA 0.157 nan 4.420 nan 0.000 0.276 71 P C -0.679 176.715 177.300 0.157 0.000 1.235 71 P CA -0.627 62.571 63.100 0.164 0.000 0.772 71 P CB 0.732 32.503 31.700 0.119 0.000 0.871 72 R N 2.633 123.182 120.500 0.083 0.000 2.298 72 R HA 0.387 4.728 4.340 0.002 0.000 0.310 72 R C -1.159 175.056 176.300 -0.141 0.000 1.068 72 R CA -0.405 55.598 56.100 -0.162 0.000 0.957 72 R CB 0.368 30.600 30.300 -0.113 0.000 1.003 72 R HN 0.250 nan 8.270 nan 0.000 0.454 73 V N 5.195 124.973 119.914 -0.226 0.000 2.448 73 V HA 0.336 4.457 4.120 0.002 0.000 0.295 73 V C -0.313 175.699 176.094 -0.138 0.000 1.025 73 V CA -0.756 61.486 62.300 -0.097 0.000 0.859 73 V CB 1.523 33.325 31.823 -0.034 0.000 0.988 73 V HN 0.728 nan 8.190 nan 0.000 0.431 74 K N 3.808 124.150 120.400 -0.098 0.000 2.207 74 K HA 0.415 4.736 4.320 0.002 0.000 0.255 74 K C -0.462 176.053 176.600 -0.141 0.000 0.941 74 K CA -0.676 55.468 56.287 -0.238 0.000 0.825 74 K CB 1.371 33.573 32.500 -0.497 0.000 1.119 74 K HN 0.725 nan 8.250 nan 0.000 0.430 75 N N 3.951 122.565 118.700 -0.143 0.000 2.426 75 N HA 0.079 4.820 4.740 0.002 0.000 0.257 75 N C -0.240 175.246 175.510 -0.040 0.000 1.002 75 N CA -0.268 52.795 53.050 0.022 0.000 0.942 75 N CB 0.509 39.030 38.487 0.057 0.000 1.112 75 N HN 0.684 nan 8.380 nan 0.000 0.499 76 W N 2.210 123.598 121.300 0.148 0.000 2.770 76 W HA 0.085 4.746 4.660 0.002 0.000 0.256 76 W C 2.131 178.703 176.519 0.088 0.000 1.291 76 W CA -0.027 57.394 57.345 0.127 0.000 1.396 76 W CB 0.297 29.865 29.460 0.179 0.000 1.114 76 W HN 0.688 nan 8.180 nan 0.000 0.637 77 E N 0.596 120.948 120.200 0.253 0.000 2.051 77 E HA -0.146 4.205 4.350 0.002 0.000 0.189 77 E C 1.753 178.386 176.600 0.055 0.000 0.979 77 E CA 1.253 57.705 56.400 0.087 0.000 0.803 77 E CB -0.356 29.374 29.700 0.050 0.000 0.761 77 E HN 0.239 nan 8.360 nan 0.000 0.451 78 L N -0.879 120.373 121.223 0.049 0.000 2.513 78 L HA 0.322 4.663 4.340 0.002 0.000 0.222 78 L C 1.579 178.435 176.870 -0.024 0.000 1.096 78 L CA 0.404 55.252 54.840 0.013 0.000 0.857 78 L CB 0.386 42.455 42.059 0.017 0.000 1.026 78 L HN 0.513 nan 8.230 nan 0.000 0.469 79 G N 0.570 109.330 108.800 -0.067 0.000 2.159 79 G HA2 -0.289 3.672 3.960 0.002 0.000 0.256 79 G HA3 -0.289 3.672 3.960 0.002 0.000 0.256 79 G C 0.354 175.161 174.900 -0.154 0.000 0.977 79 G CA 0.391 45.408 45.100 -0.139 0.000 0.652 79 G HN 0.447 nan 8.290 nan 0.000 0.531 80 S N -0.591 115.037 115.700 -0.119 0.000 2.601 80 S HA 0.798 5.269 4.470 0.002 0.000 0.271 80 S C -0.044 174.465 174.600 -0.153 0.000 1.305 80 S CA -0.566 57.571 58.200 -0.105 0.000 1.022 80 S CB 2.401 65.565 63.200 -0.059 0.000 0.940 80 S HN 0.544 nan 8.310 nan 0.000 0.525 81 I N 1.499 121.979 120.570 -0.150 0.000 2.608 81 I HA 0.546 4.717 4.170 0.002 0.000 0.295 81 I C 0.048 176.028 176.117 -0.228 0.000 1.049 81 I CA -0.254 60.910 61.300 -0.228 0.000 1.063 81 I CB 2.645 40.490 38.000 -0.258 0.000 1.248 81 I HN 1.003 nan 8.210 nan 0.000 0.424 82 T N 0.819 115.189 114.554 -0.307 0.000 2.865 82 T HA 0.644 4.995 4.350 0.002 0.000 0.294 82 T C -1.247 173.183 174.700 -0.449 0.000 1.119 82 T CA -0.841 61.117 62.100 -0.236 0.000 1.007 82 T CB 1.422 70.240 68.868 -0.083 0.000 1.225 82 T HN 0.223 nan 8.240 nan 0.000 0.515 83 Y N 0.064 120.351 120.300 -0.022 0.000 2.341 83 Y HA 0.470 5.021 4.550 0.002 0.000 0.338 83 Y C 0.049 175.930 175.900 -0.033 0.000 0.965 83 Y CA -1.122 56.970 58.100 -0.015 0.000 1.108 83 Y CB 1.502 39.939 38.460 -0.039 0.000 1.180 83 Y HN 0.684 nan 8.280 nan 0.000 0.458 84 D N 2.230 122.708 120.400 0.131 0.000 2.365 84 D HA 0.058 4.699 4.640 0.002 0.000 0.237 84 D C 0.755 177.080 176.300 0.043 0.000 1.190 84 D CA 0.203 54.256 54.000 0.087 0.000 0.867 84 D CB 1.085 41.961 40.800 0.126 0.000 1.050 84 D HN 0.804 nan 8.370 nan 0.000 0.491 85 T N 0.971 115.467 114.554 -0.097 0.000 3.040 85 T HA -0.032 4.319 4.350 0.002 0.000 0.250 85 T C 1.766 176.407 174.700 -0.099 0.000 1.058 85 T CA -0.261 61.669 62.100 -0.284 0.000 0.988 85 T CB 0.126 68.677 68.868 -0.527 0.000 0.993 85 T HN 0.251 nan 8.240 nan 0.000 0.519 86 L N 2.246 123.439 121.223 -0.050 0.000 2.156 86 L HA 0.110 4.451 4.340 0.002 0.000 0.208 86 L C 2.609 179.393 176.870 -0.143 0.000 1.095 86 L CA 1.226 56.057 54.840 -0.014 0.000 0.770 86 L CB -0.849 41.268 42.059 0.097 0.000 0.914 86 L HN 0.639 nan 8.230 nan 0.000 0.439 87 C N -1.254 117.766 119.300 -0.467 0.000 2.409 87 C HA 0.064 4.525 4.460 0.002 0.000 0.288 87 C C 2.640 177.431 174.990 -0.332 0.000 1.395 87 C CA 0.196 58.623 59.018 -0.985 0.000 1.792 87 C CB -2.298 24.803 27.740 -1.065 0.000 1.847 87 C HN 0.568 nan 8.230 nan 0.000 0.534 88 A N 0.410 123.196 122.820 -0.058 0.000 2.206 88 A HA 0.027 4.348 4.320 0.002 0.000 0.211 88 A C 2.239 179.832 177.584 0.015 0.000 1.158 88 A CA 0.844 52.899 52.037 0.031 0.000 0.761 88 A CB -0.336 18.802 19.000 0.229 0.000 0.801 88 A HN 0.758 nan 8.150 nan 0.000 0.473 89 Q N 0.106 119.908 119.800 0.002 0.000 2.425 89 Q HA 0.083 4.423 4.340 0.002 0.000 0.204 89 Q C 0.740 176.766 176.000 0.045 0.000 0.933 89 Q CA 0.335 56.158 55.803 0.034 0.000 0.939 89 Q CB -0.568 28.200 28.738 0.050 0.000 1.044 89 Q HN 0.471 nan 8.270 nan 0.000 0.513 90 S N 1.229 116.944 115.700 0.026 0.000 2.537 90 S HA 0.015 4.486 4.470 0.002 0.000 0.286 90 S C 0.778 175.406 174.600 0.047 0.000 1.299 90 S CA -0.024 58.219 58.200 0.072 0.000 1.067 90 S CB 0.591 63.849 63.200 0.096 0.000 0.864 90 S HN 0.086 nan 8.310 nan 0.000 0.494 91 Q N 1.983 121.816 119.800 0.054 0.000 2.280 91 Q HA 0.261 4.602 4.340 0.002 0.000 0.228 91 Q C -0.088 175.933 176.000 0.035 0.000 0.857 91 Q CA 0.238 56.065 55.803 0.039 0.000 0.939 91 Q CB 0.535 29.298 28.738 0.042 0.000 1.114 91 Q HN 0.797 nan 8.270 nan 0.000 0.514 92 Q N 1.005 120.830 119.800 0.042 0.000 2.337 92 Q HA 0.271 4.612 4.340 0.002 0.000 0.266 92 Q C -1.360 174.665 176.000 0.042 0.000 1.023 92 Q CA -0.394 55.430 55.803 0.035 0.000 0.829 92 Q CB 1.281 30.035 28.738 0.028 0.000 1.306 92 Q HN -0.177 nan 8.270 nan 0.000 0.449 93 D N 2.373 122.792 120.400 0.032 0.000 2.389 93 D HA 0.355 4.996 4.640 0.002 0.000 0.247 93 D C 0.168 176.491 176.300 0.038 0.000 1.128 93 D CA 0.428 54.449 54.000 0.034 0.000 0.884 93 D CB 1.186 42.001 40.800 0.024 0.000 1.194 93 D HN 0.666 nan 8.370 nan 0.000 0.441 94 G N 1.509 110.337 108.800 0.047 0.000 2.510 94 G HA2 0.355 4.316 3.960 0.002 0.000 0.280 94 G HA3 0.355 4.316 3.960 0.002 0.000 0.280 94 G C -1.575 173.349 174.900 0.039 0.000 1.386 94 G CA -0.640 44.487 45.100 0.046 0.000 1.047 94 G HN 0.388 nan 8.290 nan 0.000 0.527 95 P HA 0.218 nan 4.420 nan 0.000 0.267 95 P C 0.066 177.384 177.300 0.031 0.000 1.289 95 P CA -0.196 62.925 63.100 0.034 0.000 0.866 95 P CB 0.188 31.911 31.700 0.039 0.000 1.309 96 C N 1.065 120.386 119.300 0.035 0.000 2.539 96 C HA 0.587 5.048 4.460 0.002 0.000 0.392 96 C C 1.166 176.169 174.990 0.022 0.000 1.269 96 C CA 0.162 59.197 59.018 0.030 0.000 2.250 96 C CB 0.730 28.492 27.740 0.036 0.000 2.584 96 C HN 0.376 nan 8.230 nan 0.000 0.589 97 T N -0.802 113.762 114.554 0.016 0.000 2.864 97 T HA 0.483 4.834 4.350 0.002 0.000 0.289 97 T C -2.352 172.353 174.700 0.008 0.000 1.082 97 T CA -1.201 60.905 62.100 0.011 0.000 1.009 97 T CB 1.248 70.121 68.868 0.008 0.000 1.234 97 T HN 0.299 nan 8.240 nan 0.000 0.526 98 P HA 0.153 nan 4.420 nan 0.000 0.225 98 P C 1.220 178.521 177.300 0.001 0.000 1.148 98 P CA 0.575 63.676 63.100 0.001 0.000 0.779 98 P CB 0.133 31.832 31.700 -0.002 0.000 0.780 99 R N -0.722 119.779 120.500 0.002 0.000 2.210 99 R HA 0.106 4.447 4.340 0.002 0.000 0.203 99 R C 0.614 176.915 176.300 0.002 0.000 1.010 99 R CA 0.417 56.517 56.100 0.001 0.000 1.008 99 R CB 0.213 30.514 30.300 0.001 0.000 0.923 99 R HN 0.155 nan 8.270 nan 0.000 0.469 100 R N -0.211 120.291 120.500 0.004 0.000 2.579 100 R HA 0.124 4.465 4.340 0.002 0.000 0.260 100 R C -1.649 174.657 176.300 0.010 0.000 1.103 100 R CA -0.729 55.374 56.100 0.005 0.000 0.942 100 R CB 0.040 30.343 30.300 0.005 0.000 1.251 100 R HN 0.007 nan 8.270 nan 0.000 0.450 101 C N 4.606 123.912 119.300 0.009 0.000 2.347 101 C HA 0.553 5.014 4.460 0.002 0.000 0.353 101 C C 0.735 175.738 174.990 0.022 0.000 1.273 101 C CA -0.663 58.364 59.018 0.015 0.000 1.861 101 C CB -0.805 26.941 27.740 0.009 0.000 2.420 101 C HN 0.779 nan 8.230 nan 0.000 0.542 102 L N 6.027 127.269 121.223 0.032 0.000 3.062 102 L HA 0.285 4.626 4.340 0.002 0.000 0.255 102 L C 1.966 178.872 176.870 0.060 0.000 1.274 102 L CA 0.189 55.053 54.840 0.041 0.000 1.047 102 L CB -0.142 41.940 42.059 0.037 0.000 1.402 102 L HN 1.053 nan 8.230 nan 0.000 0.550 103 G N 0.246 109.085 108.800 0.065 0.000 2.448 103 G HA2 -0.264 3.697 3.960 0.002 0.000 0.219 103 G HA3 -0.264 3.697 3.960 0.002 0.000 0.219 103 G C 1.628 176.609 174.900 0.135 0.000 1.127 103 G CA 1.123 46.279 45.100 0.094 0.000 0.766 103 G HN 0.513 nan 8.290 nan 0.000 0.552 104 S N -0.432 115.339 115.700 0.118 0.000 2.562 104 S HA 0.259 4.730 4.470 0.002 0.000 0.221 104 S C 0.791 175.488 174.600 0.162 0.000 0.975 104 S CA -0.431 57.859 58.200 0.151 0.000 0.918 104 S CB -0.153 63.105 63.200 0.097 0.000 0.772 104 S HN -0.011 nan 8.310 nan 0.000 0.531 105 L N 2.283 123.583 121.223 0.128 0.000 2.455 105 L HA 0.172 4.513 4.340 0.002 0.000 0.272 105 L C 1.404 178.373 176.870 0.165 0.000 1.174 105 L CA 0.294 55.202 54.840 0.114 0.000 0.869 105 L CB 0.664 42.767 42.059 0.072 0.000 1.130 105 L HN 0.012 nan 8.230 nan 0.000 0.474 106 V N 3.894 123.911 119.914 0.172 0.000 2.283 106 V HA -0.069 4.052 4.120 0.002 0.000 0.243 106 V C 0.836 176.968 176.094 0.063 0.000 1.039 106 V CA 1.109 63.550 62.300 0.235 0.000 1.016 106 V CB -0.237 31.731 31.823 0.242 0.000 0.650 106 V HN 0.484 nan 8.190 nan 0.000 0.449 107 L N 0.002 121.197 121.223 -0.046 0.000 2.334 107 L HA 0.461 4.802 4.340 0.002 0.000 0.272 107 L C -2.133 174.730 176.870 -0.012 0.000 1.020 107 L CA -1.732 53.021 54.840 -0.145 0.000 0.812 107 L CB 1.066 42.965 42.059 -0.267 0.000 1.264 107 L HN 0.119 nan 8.230 nan 0.000 0.439 108 P HA 0.519 nan 4.420 nan 0.000 0.328 108 P C -0.556 176.753 177.300 0.015 0.000 1.305 108 P CA -0.474 62.654 63.100 0.047 0.000 0.745 108 P CB 0.890 32.642 31.700 0.087 0.000 1.462 109 R N -2.949 117.562 120.500 0.018 0.000 2.320 109 R HA 0.180 4.521 4.340 0.002 0.000 0.218 109 R C 0.952 177.257 176.300 0.008 0.000 0.694 109 R CA 0.090 56.193 56.100 0.005 0.000 0.936 109 R CB 0.026 30.323 30.300 -0.004 0.000 1.574 109 R HN 0.126 nan 8.270 nan 0.000 0.463 110 K N -0.623 119.788 120.400 0.018 0.000 2.493 110 K HA 0.294 4.615 4.320 0.002 0.000 0.201 110 K C 0.846 177.459 176.600 0.022 0.000 1.355 110 K CA 0.296 56.593 56.287 0.017 0.000 0.953 110 K CB 0.583 33.093 32.500 0.017 0.000 1.316 110 K HN -0.105 nan 8.250 nan 0.000 0.522 111 L N 1.575 122.819 121.223 0.035 0.000 2.313 111 L HA 0.163 4.504 4.340 0.002 0.000 0.214 111 L C 1.303 178.198 176.870 0.042 0.000 1.119 111 L CA 1.048 55.910 54.840 0.038 0.000 0.809 111 L CB -1.020 41.069 42.059 0.051 0.000 0.933 111 L HN 0.261 nan 8.230 nan 0.000 0.449 112 Q N 0.361 120.194 119.800 0.055 0.000 3.417 112 Q HA -0.076 4.265 4.340 0.002 0.000 0.189 112 Q C -0.187 175.829 176.000 0.026 0.000 1.206 112 Q CA 1.435 57.272 55.803 0.057 0.000 1.321 112 Q CB 0.298 29.058 28.738 0.037 0.000 1.423 112 Q HN 0.376 nan 8.270 nan 0.000 0.730 113 T N 0.422 114.985 114.554 0.016 0.000 3.198 113 T HA 0.349 4.700 4.350 0.002 0.000 0.352 113 T C -0.808 173.884 174.700 -0.013 0.000 1.197 113 T CA -0.867 61.233 62.100 -0.002 0.000 1.427 113 T CB 0.614 69.482 68.868 -0.000 0.000 0.983 113 T HN 0.330 nan 8.240 nan 0.000 0.560 114 R N 3.037 123.528 120.500 -0.016 0.000 2.523 114 R HA 0.156 4.497 4.340 0.002 0.000 0.281 114 R C -1.904 174.381 176.300 -0.025 0.000 0.969 114 R CA -1.366 54.721 56.100 -0.021 0.000 1.093 114 R CB -0.311 29.979 30.300 -0.017 0.000 0.917 114 R HN 0.379 nan 8.270 nan 0.000 0.408 115 P HA -0.094 nan 4.420 nan 0.000 0.276 115 P C -0.503 176.784 177.300 -0.023 0.000 1.337 115 P CA 0.361 63.446 63.100 -0.026 0.000 0.958 115 P CB 0.396 32.079 31.700 -0.027 0.000 1.078 116 S N 0.826 116.515 115.700 -0.020 0.000 2.406 116 S HA 0.297 4.768 4.470 0.002 0.000 0.224 116 S C -2.107 172.486 174.600 -0.011 0.000 1.426 116 S CA -0.622 57.567 58.200 -0.018 0.000 1.179 116 S CB 0.414 63.601 63.200 -0.022 0.000 1.042 116 S HN 0.354 nan 8.310 nan 0.000 0.479 117 P HA 0.343 nan 4.420 nan 0.000 0.244 117 P C 0.323 177.621 177.300 -0.004 0.000 1.632 117 P CA 0.085 63.181 63.100 -0.006 0.000 0.944 117 P CB -0.215 31.481 31.700 -0.007 0.000 1.569 118 G N 0.277 109.075 108.800 -0.004 0.000 2.335 118 G HA2 0.091 4.051 3.960 0.002 0.000 0.592 118 G HA3 0.091 4.051 3.960 0.002 0.000 0.592 118 G C -3.514 171.383 174.900 -0.005 0.000 1.442 118 G CA -1.051 44.047 45.100 -0.002 0.000 0.976 118 G HN -0.192 nan 8.290 nan 0.000 0.652 119 P HA 0.308 nan 4.420 nan 0.000 0.269 119 P C -1.830 175.467 177.300 -0.004 0.000 1.215 119 P CA -0.757 62.339 63.100 -0.007 0.000 0.780 119 P CB -0.009 31.691 31.700 -0.000 0.000 0.898 120 P HA 0.140 nan 4.420 nan 0.000 0.270 120 P C -2.472 174.831 177.300 0.005 0.000 1.227 120 P CA -1.043 62.056 63.100 -0.003 0.000 0.788 120 P CB -1.182 30.516 31.700 -0.004 0.000 0.926 121 P HA 0.005 nan 4.420 nan 0.000 0.264 121 P C 0.645 177.953 177.300 0.013 0.000 1.193 121 P CA 0.341 63.445 63.100 0.008 0.000 0.763 121 P CB 0.101 31.805 31.700 0.007 0.000 0.810 122 A N 4.010 126.838 122.820 0.013 0.000 2.019 122 A HA -0.177 4.144 4.320 0.002 0.000 0.219 122 A C 1.909 179.501 177.584 0.013 0.000 1.164 122 A CA 1.300 53.347 52.037 0.016 0.000 0.644 122 A CB -0.642 18.367 19.000 0.015 0.000 0.805 122 A HN 0.465 nan 8.150 nan 0.000 0.449 123 E N -0.483 119.723 120.200 0.009 0.000 2.152 123 E HA -0.174 4.177 4.350 0.002 0.000 0.192 123 E C 2.131 178.738 176.600 0.012 0.000 0.983 123 E CA 1.077 57.481 56.400 0.007 0.000 0.818 123 E CB -0.264 29.439 29.700 0.005 0.000 0.758 123 E HN 0.856 nan 8.360 nan 0.000 0.467 124 Q N 0.485 120.293 119.800 0.014 0.000 2.049 124 Q HA -0.128 4.213 4.340 0.002 0.000 0.198 124 Q C 2.267 178.284 176.000 0.028 0.000 0.971 124 Q CA 0.756 56.571 55.803 0.019 0.000 0.833 124 Q CB -0.094 28.653 28.738 0.015 0.000 0.896 124 Q HN 0.205 nan 8.270 nan 0.000 0.434 125 L N 1.120 122.362 121.223 0.033 0.000 2.012 125 L HA -0.154 4.187 4.340 0.002 0.000 0.210 125 L C 2.170 179.072 176.870 0.053 0.000 1.073 125 L CA 1.652 56.527 54.840 0.058 0.000 0.748 125 L CB -0.872 41.228 42.059 0.069 0.000 0.891 125 L HN 0.340 nan 8.230 nan 0.000 0.431 126 L N -1.228 120.004 121.223 0.016 0.000 2.217 126 L HA -0.148 4.193 4.340 0.002 0.000 0.211 126 L C 2.564 179.432 176.870 -0.002 0.000 1.107 126 L CA 1.336 56.160 54.840 -0.026 0.000 0.783 126 L CB -0.245 41.792 42.059 -0.036 0.000 0.919 126 L HN 0.512 nan 8.230 nan 0.000 0.442 127 S N -0.369 115.342 115.700 0.019 0.000 2.368 127 S HA -0.247 4.224 4.470 0.002 0.000 0.225 127 S C 1.797 176.431 174.600 0.057 0.000 1.030 127 S CA 1.410 59.629 58.200 0.031 0.000 0.999 127 S CB -0.002 63.215 63.200 0.028 0.000 0.844 127 S HN 0.542 nan 8.310 nan 0.000 0.459 128 Q N 0.302 120.144 119.800 0.069 0.000 2.172 128 Q HA 0.110 4.450 4.340 0.002 0.000 0.200 128 Q C 2.521 178.618 176.000 0.163 0.000 0.964 128 Q CA 1.268 57.134 55.803 0.105 0.000 0.855 128 Q CB -0.347 28.445 28.738 0.089 0.000 0.918 128 Q HN 0.696 nan 8.270 nan 0.000 0.444 129 A N 1.410 124.307 122.820 0.129 0.000 1.898 129 A HA -0.156 4.165 4.320 0.002 0.000 0.216 129 A C 2.000 179.660 177.584 0.126 0.000 1.181 129 A CA 1.051 53.168 52.037 0.134 0.000 0.620 129 A CB -0.275 18.584 19.000 -0.234 0.000 0.819 129 A HN 0.186 nan 8.150 nan 0.000 0.442 130 R N -0.451 120.084 120.500 0.058 0.000 2.081 130 R HA -0.146 4.195 4.340 0.002 0.000 0.235 130 R C 1.959 178.335 176.300 0.127 0.000 1.131 130 R CA 1.570 57.713 56.100 0.072 0.000 0.960 130 R CB -0.497 29.822 30.300 0.031 0.000 0.856 130 R HN 0.700 nan 8.270 nan 0.000 0.436 131 D N 0.269 120.752 120.400 0.138 0.000 2.144 131 D HA -0.203 4.438 4.640 0.002 0.000 0.199 131 D C 1.636 178.063 176.300 0.212 0.000 0.984 131 D CA 0.886 54.978 54.000 0.153 0.000 0.834 131 D CB -0.034 40.850 40.800 0.140 0.000 0.955 131 D HN 0.139 nan 8.370 nan 0.000 0.465 132 F N 0.824 120.858 119.950 0.139 0.000 2.146 132 F HA -0.051 4.477 4.527 0.002 0.000 0.298 132 F C 1.892 177.821 175.800 0.215 0.000 1.096 132 F CA 0.969 59.085 58.000 0.193 0.000 1.275 132 F CB -0.216 38.903 39.000 0.198 0.000 1.008 132 F HN -0.017 nan 8.300 nan 0.000 0.480 133 I N 0.880 121.452 120.570 0.004 0.000 2.361 133 I HA -0.285 3.886 4.170 0.002 0.000 0.251 133 I C 1.918 178.040 176.117 0.008 0.000 1.133 133 I CA 1.087 62.368 61.300 -0.031 0.000 1.413 133 I CB -1.660 36.438 38.000 0.163 0.000 1.073 133 I HN 0.239 nan 8.210 nan 0.000 0.424 134 N N 0.929 119.666 118.700 0.062 0.000 2.142 134 N HA -0.163 4.578 4.740 0.002 0.000 0.186 134 N C 1.837 177.296 175.510 -0.086 0.000 1.023 134 N CA 0.985 54.054 53.050 0.031 0.000 0.852 134 N CB -0.297 38.275 38.487 0.142 0.000 0.998 134 N HN 0.490 nan 8.380 nan 0.000 0.424 135 Q N -0.383 119.388 119.800 -0.049 0.000 2.061 135 Q HA -0.205 4.135 4.340 0.002 0.000 0.204 135 Q C 1.820 177.621 176.000 -0.331 0.000 0.984 135 Q CA 1.483 57.275 55.803 -0.018 0.000 0.846 135 Q CB -0.318 28.562 28.738 0.237 0.000 0.902 135 Q HN 0.460 nan 8.270 nan 0.000 0.421 136 Y N -0.052 119.769 120.300 -0.799 0.000 2.145 136 Y HA -0.290 4.260 4.550 0.001 0.000 0.286 136 Y C 1.768 177.116 175.900 -0.919 0.000 1.145 136 Y CA 1.611 58.923 58.100 -1.314 0.000 1.148 136 Y CB -0.430 37.325 38.460 -1.176 0.000 0.981 136 Y HN 0.093 nan 8.280 nan 0.000 0.507 137 Y N -0.170 119.731 120.300 -0.665 0.000 2.242 137 Y HA -0.213 4.338 4.550 0.002 0.000 0.291 137 Y C 2.720 178.305 175.900 -0.526 0.000 1.137 137 Y CA 1.670 59.364 58.100 -0.677 0.000 1.181 137 Y CB -0.412 37.512 38.460 -0.893 0.000 0.989 137 Y HN 0.096 nan 8.280 nan 0.000 0.527 138 S N -0.620 114.899 115.700 -0.301 0.000 2.382 138 S HA -0.251 4.220 4.470 0.002 0.000 0.228 138 S C 2.221 176.674 174.600 -0.246 0.000 1.027 138 S CA 1.360 59.443 58.200 -0.195 0.000 0.991 138 S CB -0.736 62.401 63.200 -0.105 0.000 0.823 138 S HN 0.612 nan 8.310 nan 0.000 0.469 139 S N 2.540 117.995 115.700 -0.407 0.000 2.399 139 S HA -0.054 4.417 4.470 0.002 0.000 0.231 139 S C 1.593 175.985 174.600 -0.348 0.000 1.022 139 S CA 1.106 59.098 58.200 -0.347 0.000 0.983 139 S CB -0.750 62.105 63.200 -0.575 0.000 0.803 139 S HN 0.740 nan 8.310 nan 0.000 0.480 140 I N -2.789 117.478 120.570 -0.505 0.000 3.941 140 I HA 0.440 4.611 4.170 0.002 0.000 0.335 140 I C 0.042 176.021 176.117 -0.231 0.000 1.402 140 I CA -0.580 60.494 61.300 -0.377 0.000 1.112 140 I CB -0.400 37.289 38.000 -0.518 0.000 1.043 140 I HN 0.045 nan 8.210 nan 0.000 0.395 141 K N 1.896 122.180 120.400 -0.192 0.000 3.129 141 K HA -0.145 4.176 4.320 0.002 0.000 0.273 141 K C -0.179 176.383 176.600 -0.064 0.000 1.123 141 K CA 0.699 56.924 56.287 -0.104 0.000 0.800 141 K CB -1.384 31.071 32.500 -0.076 0.000 1.238 141 K HN 0.599 nan 8.250 nan 0.000 0.492 142 R N -0.101 120.370 120.500 -0.048 0.000 2.748 142 R HA 0.151 4.492 4.340 0.002 0.000 0.395 142 R C -0.137 176.222 176.300 0.099 0.000 1.128 142 R CA -0.419 55.708 56.100 0.045 0.000 1.042 142 R CB 1.067 31.425 30.300 0.096 0.000 1.392 142 R HN -0.023 nan 8.270 nan 0.000 0.582 143 S N 0.315 116.047 115.700 0.052 0.000 2.549 143 S HA 0.269 4.739 4.470 0.002 0.000 0.286 143 S C 1.414 176.112 174.600 0.163 0.000 1.314 143 S CA 1.493 59.772 58.200 0.132 0.000 1.062 143 S CB 0.598 63.839 63.200 0.067 0.000 0.865 143 S HN 0.784 nan 8.310 nan 0.000 0.498 144 G N 2.973 111.925 108.800 0.254 0.000 2.284 144 G HA2 -0.335 3.625 3.960 0.002 0.000 0.261 144 G HA3 -0.335 3.625 3.960 0.002 0.000 0.261 144 G C 0.397 175.286 174.900 -0.019 0.000 0.997 144 G CA 0.601 45.711 45.100 0.016 0.000 0.621 144 G HN 1.477 nan 8.290 nan 0.000 0.534 145 S N -0.247 115.464 115.700 0.018 0.000 2.572 145 S HA 0.190 4.661 4.470 0.002 0.000 0.262 145 S C 1.313 175.882 174.600 -0.053 0.000 1.375 145 S CA 1.000 59.197 58.200 -0.006 0.000 0.996 145 S CB 0.909 64.128 63.200 0.032 0.000 0.892 145 S HN 0.653 nan 8.310 nan 0.000 0.562 146 Q N 0.754 120.531 119.800 -0.039 0.000 2.167 146 Q HA -0.091 4.250 4.340 0.002 0.000 0.202 146 Q C 2.284 178.242 176.000 -0.069 0.000 0.970 146 Q CA 1.251 57.022 55.803 -0.054 0.000 0.855 146 Q CB -0.681 28.041 28.738 -0.027 0.000 0.911 146 Q HN 0.925 nan 8.270 nan 0.000 0.438 147 A N 0.407 123.203 122.820 -0.040 0.000 1.883 147 A HA -0.268 4.053 4.320 0.002 0.000 0.217 147 A C 1.884 179.310 177.584 -0.262 0.000 1.186 147 A CA 1.804 53.830 52.037 -0.018 0.000 0.624 147 A CB -1.199 17.898 19.000 0.161 0.000 0.822 147 A HN 0.706 nan 8.150 nan 0.000 0.444 148 H N -1.211 117.401 119.070 -0.763 0.000 2.289 148 H HA -0.207 4.350 4.556 0.002 0.000 0.296 148 H C 2.231 177.242 175.328 -0.529 0.000 1.091 148 H CA 1.679 56.990 56.048 -1.228 0.000 1.274 148 H CB 0.109 29.328 29.762 -0.903 0.000 1.364 148 H HN 0.461 nan 8.280 nan 0.000 0.490 149 E N 0.877 120.894 120.200 -0.305 0.000 2.072 149 E HA -0.144 4.207 4.350 0.002 0.000 0.191 149 E C 2.091 178.602 176.600 -0.149 0.000 0.985 149 E CA 1.414 57.659 56.400 -0.259 0.000 0.801 149 E CB -0.104 29.477 29.700 -0.197 0.000 0.750 149 E HN 0.614 nan 8.360 nan 0.000 0.452 150 E N -0.417 119.719 120.200 -0.106 0.000 2.106 150 E HA -0.198 4.153 4.350 0.002 0.000 0.192 150 E C 2.133 178.724 176.600 -0.016 0.000 0.984 150 E CA 0.957 57.330 56.400 -0.045 0.000 0.806 150 E CB -0.056 29.635 29.700 -0.015 0.000 0.750 150 E HN -0.022 nan 8.360 nan 0.000 0.458 151 R N 1.175 121.669 120.500 -0.009 0.000 2.075 151 R HA -0.077 4.264 4.340 0.002 0.000 0.232 151 R C 2.109 178.436 176.300 0.045 0.000 1.126 151 R CA 1.082 57.226 56.100 0.075 0.000 0.963 151 R CB -0.537 29.892 30.300 0.215 0.000 0.858 151 R HN 0.125 nan 8.270 nan 0.000 0.435 152 L N 0.115 121.340 121.223 0.004 0.000 2.079 152 L HA -0.208 4.133 4.340 0.002 0.000 0.210 152 L C 2.609 179.455 176.870 -0.040 0.000 1.081 152 L CA 1.714 56.542 54.840 -0.020 0.000 0.752 152 L CB -0.413 41.606 42.059 -0.067 0.000 0.896 152 L HN 0.340 nan 8.230 nan 0.000 0.433 153 Q N -0.370 119.405 119.800 -0.041 0.000 2.119 153 Q HA -0.198 4.143 4.340 0.002 0.000 0.201 153 Q C 2.139 178.132 176.000 -0.012 0.000 0.972 153 Q CA 1.394 57.178 55.803 -0.032 0.000 0.847 153 Q CB 0.084 28.803 28.738 -0.033 0.000 0.903 153 Q HN 0.529 nan 8.270 nan 0.000 0.433 154 E N -0.398 119.806 120.200 0.008 0.000 2.051 154 E HA -0.185 4.166 4.350 0.002 0.000 0.192 154 E C 2.037 178.652 176.600 0.025 0.000 0.991 154 E CA 1.500 57.919 56.400 0.032 0.000 0.799 154 E CB -0.060 29.678 29.700 0.063 0.000 0.748 154 E HN 0.137 nan 8.360 nan 0.000 0.449 155 V N 1.940 121.846 119.914 -0.013 0.000 2.343 155 V HA -0.247 3.874 4.120 0.002 0.000 0.247 155 V C 2.083 178.102 176.094 -0.125 0.000 1.051 155 V CA 1.908 64.137 62.300 -0.119 0.000 1.036 155 V CB -0.492 31.152 31.823 -0.297 0.000 0.654 155 V HN 0.256 nan 8.190 nan 0.000 0.451 156 E N 0.386 120.534 120.200 -0.086 0.000 2.106 156 E HA -0.151 4.200 4.350 0.002 0.000 0.192 156 E C 2.335 178.922 176.600 -0.021 0.000 0.984 156 E CA 1.210 57.574 56.400 -0.061 0.000 0.806 156 E CB -0.307 29.363 29.700 -0.050 0.000 0.750 156 E HN 0.603 nan 8.360 nan 0.000 0.458 157 A N 1.622 124.439 122.820 -0.005 0.000 1.902 157 A HA -0.243 4.078 4.320 0.002 0.000 0.217 157 A C 2.032 179.636 177.584 0.034 0.000 1.181 157 A CA 1.484 53.529 52.037 0.014 0.000 0.623 157 A CB -0.404 18.608 19.000 0.020 0.000 0.818 157 A HN 0.182 nan 8.150 nan 0.000 0.443 158 E N -0.448 119.784 120.200 0.053 0.000 2.038 158 E HA -0.145 4.206 4.350 0.002 0.000 0.195 158 E C 1.964 178.615 176.600 0.085 0.000 1.000 158 E CA 1.533 57.990 56.400 0.095 0.000 0.803 158 E CB -0.140 29.657 29.700 0.162 0.000 0.750 158 E HN 0.348 nan 8.360 nan 0.000 0.448 159 V N 0.999 120.948 119.914 0.059 0.000 2.407 159 V HA -0.261 3.860 4.120 0.002 0.000 0.248 159 V C 2.310 178.427 176.094 0.037 0.000 1.055 159 V CA 1.675 64.009 62.300 0.056 0.000 1.049 159 V CB -0.702 31.136 31.823 0.025 0.000 0.662 159 V HN 0.380 nan 8.190 nan 0.000 0.455 160 A N -0.427 122.406 122.820 0.022 0.000 1.978 160 A HA -0.209 4.112 4.320 0.002 0.000 0.220 160 A C 2.427 180.027 177.584 0.026 0.000 1.170 160 A CA 2.431 54.480 52.037 0.019 0.000 0.636 160 A CB -0.462 18.545 19.000 0.011 0.000 0.810 160 A HN 0.536 nan 8.150 nan 0.000 0.448 161 S N -1.629 114.093 115.700 0.036 0.000 2.470 161 S HA -0.008 4.463 4.470 0.002 0.000 0.222 161 S C 1.795 176.421 174.600 0.043 0.000 1.024 161 S CA 1.293 59.516 58.200 0.038 0.000 0.931 161 S CB 0.088 63.313 63.200 0.042 0.000 0.791 161 S HN 0.886 nan 8.310 nan 0.000 0.513 162 T N -2.748 111.839 114.554 0.054 0.000 3.004 162 T HA 0.459 4.810 4.350 0.002 0.000 0.266 162 T C 1.449 176.178 174.700 0.049 0.000 0.986 162 T CA 0.782 62.918 62.100 0.059 0.000 0.902 162 T CB 0.492 69.412 68.868 0.087 0.000 1.118 162 T HN 0.467 nan 8.240 nan 0.000 0.522 163 G N 0.410 109.237 108.800 0.046 0.000 2.184 163 G HA2 -0.210 3.751 3.960 0.002 0.000 0.264 163 G HA3 -0.210 3.751 3.960 0.002 0.000 0.264 163 G C 0.184 175.109 174.900 0.042 0.000 0.975 163 G CA 0.633 45.756 45.100 0.037 0.000 0.642 163 G HN 1.008 nan 8.290 nan 0.000 0.536 164 T N -1.471 113.116 114.554 0.056 0.000 2.671 164 T HA 0.707 5.058 4.350 0.002 0.000 0.300 164 T C -1.172 173.590 174.700 0.104 0.000 1.238 164 T CA 0.310 62.431 62.100 0.035 0.000 1.020 164 T CB 1.522 70.341 68.868 -0.082 0.000 1.503 164 T HN 1.448 nan 8.240 nan 0.000 0.497 165 Y N -0.812 119.356 120.300 -0.221 0.000 2.744 165 Y HA 0.830 5.381 4.550 0.001 0.000 0.330 165 Y C -1.567 174.027 175.900 -0.510 0.000 1.263 165 Y CA -1.198 56.789 58.100 -0.188 0.000 1.065 165 Y CB 0.940 39.382 38.460 -0.030 0.000 1.306 165 Y HN 0.760 nan 8.280 nan 0.000 0.459 166 H N 0.570 119.665 119.070 0.041 0.000 2.690 166 H HA 0.645 5.202 4.556 0.002 0.000 0.368 166 H C -1.175 174.198 175.328 0.074 0.000 1.150 166 H CA -0.814 55.209 56.048 -0.041 0.000 1.174 166 H CB 2.076 31.857 29.762 0.032 0.000 1.684 166 H HN 0.671 nan 8.280 nan 0.000 0.538 167 L N 2.412 123.714 121.223 0.131 0.000 2.357 167 L HA 0.463 4.804 4.340 0.002 0.000 0.273 167 L C 0.474 177.415 176.870 0.119 0.000 1.080 167 L CA -0.858 54.077 54.840 0.158 0.000 0.803 167 L CB 0.789 42.920 42.059 0.119 0.000 1.174 167 L HN 0.432 nan 8.230 nan 0.000 0.443 168 R N 1.485 122.034 120.500 0.081 0.000 2.594 168 R HA 0.009 4.350 4.340 0.002 0.000 0.272 168 R C 0.961 177.255 176.300 -0.010 0.000 1.074 168 R CA -0.318 55.797 56.100 0.025 0.000 1.105 168 R CB 0.833 31.126 30.300 -0.012 0.000 1.008 168 R HN 0.693 nan 8.270 nan 0.000 0.472 169 E N 1.467 121.662 120.200 -0.008 0.000 2.114 169 E HA -0.261 4.090 4.350 0.002 0.000 0.199 169 E C 1.594 178.179 176.600 -0.024 0.000 1.008 169 E CA 2.216 58.602 56.400 -0.023 0.000 0.810 169 E CB 0.156 29.848 29.700 -0.015 0.000 0.739 169 E HN 0.700 nan 8.360 nan 0.000 0.456 170 S N 0.003 115.686 115.700 -0.027 0.000 2.383 170 S HA -0.166 4.305 4.470 0.002 0.000 0.227 170 S C 1.736 176.309 174.600 -0.046 0.000 1.026 170 S CA 1.202 59.405 58.200 0.005 0.000 0.981 170 S CB -0.244 62.988 63.200 0.054 0.000 0.818 170 S HN 0.310 nan 8.310 nan 0.000 0.472 171 E N 0.880 120.921 120.200 -0.265 0.000 2.072 171 E HA -0.057 4.294 4.350 0.002 0.000 0.191 171 E C 2.029 178.744 176.600 0.191 0.000 0.985 171 E CA 1.118 57.374 56.400 -0.240 0.000 0.801 171 E CB -0.326 29.260 29.700 -0.190 0.000 0.750 171 E HN 0.443 nan 8.360 nan 0.000 0.452 172 L N 0.720 121.974 121.223 0.051 0.000 2.046 172 L HA -0.162 4.179 4.340 0.002 0.000 0.208 172 L C 2.186 179.047 176.870 -0.016 0.000 1.077 172 L CA 1.358 56.173 54.840 -0.041 0.000 0.747 172 L CB -0.262 41.707 42.059 -0.151 0.000 0.896 172 L HN -0.052 nan 8.230 nan 0.000 0.432 173 V N -0.459 119.475 119.914 0.034 0.000 2.295 173 V HA -0.314 3.807 4.120 0.002 0.000 0.246 173 V C 2.327 178.516 176.094 0.158 0.000 1.049 173 V CA 2.167 64.500 62.300 0.055 0.000 1.024 173 V CB -0.962 30.897 31.823 0.061 0.000 0.648 173 V HN 0.584 nan 8.190 nan 0.000 0.447 174 F N 2.104 122.135 119.950 0.135 0.000 2.134 174 F HA -0.041 4.487 4.527 0.002 0.000 0.299 174 F C 2.165 178.105 175.800 0.233 0.000 1.097 174 F CA 1.744 59.877 58.000 0.221 0.000 1.264 174 F CB -0.898 38.302 39.000 0.333 0.000 1.001 174 F HN 0.121 nan 8.300 nan 0.000 0.479 175 G N -0.174 108.727 108.800 0.168 0.000 2.418 175 G HA2 -0.221 3.740 3.960 0.002 0.000 0.217 175 G HA3 -0.221 3.740 3.960 0.002 0.000 0.217 175 G C 1.791 176.561 174.900 -0.217 0.000 1.158 175 G CA 0.836 45.911 45.100 -0.042 0.000 0.771 175 G HN 0.634 nan 8.290 nan 0.000 0.545 176 A N 0.657 123.385 122.820 -0.154 0.000 1.929 176 A HA 0.089 4.410 4.320 0.002 0.000 0.216 176 A C 2.298 179.873 177.584 -0.015 0.000 1.176 176 A CA 1.801 53.746 52.037 -0.154 0.000 0.628 176 A CB -0.263 18.681 19.000 -0.095 0.000 0.816 176 A HN 0.377 nan 8.150 nan 0.000 0.444 177 K N -0.588 119.843 120.400 0.052 0.000 2.057 177 K HA -0.125 4.196 4.320 0.002 0.000 0.207 177 K C 2.211 178.866 176.600 0.093 0.000 1.049 177 K CA 1.314 57.736 56.287 0.225 0.000 0.931 177 K CB -0.116 32.563 32.500 0.298 0.000 0.714 177 K HN 0.342 nan 8.250 nan 0.000 0.440 178 Q N 0.190 119.866 119.800 -0.207 0.000 2.167 178 Q HA -0.049 4.292 4.340 0.002 0.000 0.202 178 Q C 2.169 178.006 176.000 -0.271 0.000 0.970 178 Q CA 1.402 56.983 55.803 -0.370 0.000 0.855 178 Q CB -0.234 28.184 28.738 -0.533 0.000 0.911 178 Q HN 0.328 nan 8.270 nan 0.000 0.438 179 A N 0.098 122.755 122.820 -0.272 0.000 1.902 179 A HA -0.183 4.138 4.320 0.002 0.000 0.217 179 A C 1.826 179.383 177.584 -0.045 0.000 1.181 179 A CA 1.369 53.180 52.037 -0.377 0.000 0.623 179 A CB -0.899 17.512 19.000 -0.981 0.000 0.818 179 A HN 0.518 nan 8.150 nan 0.000 0.443 180 W N 0.921 122.189 121.300 -0.054 0.000 2.378 180 W HA -0.115 4.545 4.660 0.001 0.000 0.313 180 W C 2.364 178.837 176.519 -0.077 0.000 1.197 180 W CA 1.529 58.907 57.345 0.054 0.000 1.304 180 W CB -0.728 28.776 29.460 0.074 0.000 1.148 180 W HN 0.357 nan 8.180 nan 0.000 0.494 181 R N 0.391 120.789 120.500 -0.170 0.000 2.117 181 R HA -0.208 4.133 4.340 0.002 0.000 0.243 181 R C 1.428 177.539 176.300 -0.316 0.000 1.143 181 R CA 1.881 57.651 56.100 -0.551 0.000 0.968 181 R CB -0.655 28.936 30.300 -1.181 0.000 0.863 181 R HN 0.114 nan 8.270 nan 0.000 0.444 182 N N 0.207 118.779 118.700 -0.213 0.000 2.461 182 N HA 0.029 4.769 4.740 0.002 0.000 0.188 182 N C -0.470 174.982 175.510 -0.096 0.000 1.134 182 N CA 0.618 53.571 53.050 -0.161 0.000 0.878 182 N CB 0.548 38.942 38.487 -0.155 0.000 0.972 182 N HN 0.186 nan 8.380 nan 0.000 0.456 183 A N 1.772 124.585 122.820 -0.012 0.000 2.410 183 A HA 0.294 4.614 4.320 0.002 0.000 0.292 183 A C -1.321 176.246 177.584 -0.028 0.000 1.232 183 A CA -1.019 51.024 52.037 0.010 0.000 0.893 183 A CB 0.460 19.529 19.000 0.115 0.000 1.131 183 A HN -0.008 nan 8.150 nan 0.000 0.530 184 P HA -0.082 nan 4.420 nan 0.000 0.223 184 P C 1.111 178.373 177.300 -0.062 0.000 1.151 184 P CA 1.006 64.056 63.100 -0.083 0.000 0.787 184 P CB 0.176 31.793 31.700 -0.138 0.000 0.788 185 R N -1.867 118.561 120.500 -0.119 0.000 2.310 185 R HA 0.111 4.451 4.340 0.002 0.000 0.202 185 R C 0.361 176.657 176.300 -0.007 0.000 0.933 185 R CA -0.058 55.983 56.100 -0.097 0.000 1.054 185 R CB -0.483 29.588 30.300 -0.380 0.000 0.985 185 R HN 0.178 nan 8.270 nan 0.000 0.489 186 C N 0.572 119.872 119.300 -0.001 0.000 2.303 186 C HA 0.204 4.665 4.460 0.002 0.000 0.341 186 C C 1.898 176.866 174.990 -0.037 0.000 1.244 186 C CA -0.669 58.375 59.018 0.044 0.000 1.765 186 C CB 0.534 28.380 27.740 0.177 0.000 2.379 186 C HN 0.271 nan 8.230 nan 0.000 0.530 187 V N 6.102 125.949 119.914 -0.112 0.000 3.461 187 V HA 0.190 4.311 4.120 0.002 0.000 0.267 187 V C 1.807 177.939 176.094 0.063 0.000 1.186 187 V CA 2.120 64.266 62.300 -0.258 0.000 1.154 187 V CB -0.162 31.513 31.823 -0.247 0.000 0.802 187 V HN 1.080 nan 8.190 nan 0.000 0.474 188 G N -0.666 108.196 108.800 0.103 0.000 3.233 188 G HA2 0.023 3.984 3.960 0.002 0.000 0.227 188 G HA3 0.023 3.984 3.960 0.002 0.000 0.227 188 G C 1.273 176.208 174.900 0.058 0.000 1.175 188 G CA -0.317 44.855 45.100 0.119 0.000 0.781 188 G HN 0.440 nan 8.290 nan 0.000 0.542 189 R N -0.203 120.256 120.500 -0.068 0.000 2.328 189 R HA 0.123 4.464 4.340 0.002 0.000 0.207 189 R C 1.953 177.854 176.300 -0.664 0.000 1.056 189 R CA 0.122 55.895 56.100 -0.545 0.000 1.016 189 R CB -0.168 29.759 30.300 -0.623 0.000 0.872 189 R HN 0.433 nan 8.270 nan 0.000 0.471 190 I N 0.904 121.268 120.570 -0.343 0.000 2.700 190 I HA -0.239 3.932 4.170 0.002 0.000 0.261 190 I C 1.395 177.420 176.117 -0.153 0.000 1.219 190 I CA 1.171 62.394 61.300 -0.127 0.000 1.463 190 I CB 0.166 38.192 38.000 0.043 0.000 1.092 190 I HN 0.180 nan 8.210 nan 0.000 0.452 191 Q N 0.487 120.144 119.800 -0.238 0.000 2.444 191 Q HA -0.124 4.217 4.340 0.002 0.000 0.206 191 Q C 1.669 177.300 176.000 -0.615 0.000 0.948 191 Q CA 0.570 56.230 55.803 -0.238 0.000 0.946 191 Q CB -0.246 28.520 28.738 0.047 0.000 1.027 191 Q HN 0.791 nan 8.270 nan 0.000 0.513 192 W N -0.132 120.537 121.300 -1.051 0.000 2.331 192 W HA -0.099 4.562 4.660 0.002 0.000 0.291 192 W C 1.212 177.470 176.519 -0.434 0.000 1.214 192 W CA 1.145 57.711 57.345 -1.299 0.000 1.228 192 W CB -1.169 27.714 29.460 -0.962 0.000 1.135 192 W HN 0.076 nan 8.180 nan 0.000 0.537 193 G N 1.226 109.405 108.800 -1.035 0.000 2.650 193 G HA2 -0.171 3.790 3.960 0.002 0.000 0.214 193 G HA3 -0.171 3.790 3.960 0.002 0.000 0.214 193 G C 0.845 175.558 174.900 -0.311 0.000 1.136 193 G CA 0.138 44.711 45.100 -0.878 0.000 0.789 193 G HN 0.286 nan 8.290 nan 0.000 0.536 194 K N 0.146 120.455 120.400 -0.151 0.000 2.432 194 K HA 0.533 4.854 4.320 0.002 0.000 0.226 194 K C -1.533 175.193 176.600 0.211 0.000 1.057 194 K CA -0.730 55.573 56.287 0.028 0.000 1.034 194 K CB 0.288 32.818 32.500 0.049 0.000 1.561 194 K HN 0.042 nan 8.250 nan 0.000 0.492 195 L N 2.898 124.227 121.223 0.177 0.000 2.439 195 L HA 0.342 4.683 4.340 0.002 0.000 0.270 195 L C -1.315 175.563 176.870 0.013 0.000 0.972 195 L CA -0.357 54.600 54.840 0.195 0.000 0.836 195 L CB 1.985 44.239 42.059 0.325 0.000 1.255 195 L HN 0.525 nan 8.230 nan 0.000 0.404 196 Q N 3.585 123.340 119.800 -0.076 0.000 2.314 196 Q HA 0.494 4.835 4.340 0.002 0.000 0.257 196 Q C -1.601 174.056 176.000 -0.573 0.000 0.975 196 Q CA -0.106 55.479 55.803 -0.364 0.000 0.933 196 Q CB 1.135 29.582 28.738 -0.484 0.000 1.195 196 Q HN 0.525 nan 8.270 nan 0.000 0.426 197 V N 6.414 126.017 119.914 -0.518 0.000 2.333 197 V HA 0.373 4.494 4.120 0.002 0.000 0.274 197 V C -0.696 175.094 176.094 -0.506 0.000 1.028 197 V CA -0.547 61.509 62.300 -0.406 0.000 0.851 197 V CB 0.159 31.861 31.823 -0.201 0.000 1.000 197 V HN 0.634 nan 8.190 nan 0.000 0.456 198 F N 2.690 122.528 119.950 -0.187 0.000 2.391 198 F HA 0.355 4.883 4.527 0.001 0.000 0.359 198 F C 0.596 176.246 175.800 -0.250 0.000 1.122 198 F CA -1.112 56.771 58.000 -0.196 0.000 1.120 198 F CB 0.777 39.670 39.000 -0.178 0.000 1.142 198 F HN 0.416 nan 8.300 nan 0.000 0.483 199 D N 3.106 123.487 120.400 -0.032 0.000 2.338 199 D HA 0.371 5.012 4.640 0.002 0.000 0.255 199 D C 0.142 176.291 176.300 -0.252 0.000 1.237 199 D CA 0.150 54.060 54.000 -0.150 0.000 0.883 199 D CB 1.074 41.824 40.800 -0.083 0.000 1.087 199 D HN 0.623 nan 8.370 nan 0.000 0.485 200 A N 4.583 127.083 122.820 -0.533 0.000 2.637 200 A HA 0.160 4.480 4.320 0.002 0.000 0.293 200 A C 1.459 178.753 177.584 -0.483 0.000 1.216 200 A CA -0.407 51.051 52.037 -0.964 0.000 0.956 200 A CB 0.080 17.965 19.000 -1.858 0.000 1.174 200 A HN 0.554 nan 8.150 nan 0.000 0.525 201 R N 0.153 120.504 120.500 -0.248 0.000 2.307 201 R HA -0.033 4.308 4.340 0.002 0.000 0.199 201 R C -0.044 176.222 176.300 -0.057 0.000 1.000 201 R CA 0.696 56.723 56.100 -0.122 0.000 1.023 201 R CB 0.025 30.307 30.300 -0.031 0.000 0.908 201 R HN 0.425 nan 8.270 nan 0.000 0.473 202 D N 0.701 121.093 120.400 -0.012 0.000 2.741 202 D HA 0.049 4.690 4.640 0.002 0.000 0.233 202 D C -1.421 174.976 176.300 0.161 0.000 1.160 202 D CA -0.312 53.735 54.000 0.078 0.000 1.003 202 D CB 0.002 40.867 40.800 0.107 0.000 1.064 202 D HN 0.031 nan 8.370 nan 0.000 0.503 203 C N 1.939 121.308 119.300 0.114 0.000 2.642 203 C HA 0.603 5.063 4.460 0.002 0.000 0.344 203 C C 0.615 175.749 174.990 0.240 0.000 1.110 203 C CA -0.236 58.906 59.018 0.207 0.000 1.298 203 C CB 0.644 28.501 27.740 0.195 0.000 1.827 203 C HN 0.488 nan 8.230 nan 0.000 0.467 204 S N 2.424 118.296 115.700 0.287 0.000 2.819 204 S HA 0.444 4.915 4.470 0.002 0.000 0.249 204 S C -0.035 174.723 174.600 0.264 0.000 1.030 204 S CA 0.328 58.719 58.200 0.319 0.000 1.052 204 S CB -0.198 63.120 63.200 0.197 0.000 1.017 204 S HN 1.616 nan 8.310 nan 0.000 0.576 205 S N -0.552 115.309 115.700 0.267 0.000 2.588 205 S HA 0.804 5.275 4.470 0.002 0.000 0.269 205 S C 0.753 175.438 174.600 0.142 0.000 1.157 205 S CA -0.348 57.949 58.200 0.160 0.000 0.824 205 S CB 0.906 64.178 63.200 0.121 0.000 1.126 205 S HN 0.496 nan 8.310 nan 0.000 0.464 206 A N 0.698 123.576 122.820 0.096 0.000 1.930 206 A HA -0.053 4.268 4.320 0.002 0.000 0.217 206 A C 2.103 179.674 177.584 -0.021 0.000 1.175 206 A CA 2.084 54.164 52.037 0.072 0.000 0.627 206 A CB -1.185 17.913 19.000 0.164 0.000 0.815 206 A HN 0.918 nan 8.150 nan 0.000 0.443 207 Q N 0.157 120.019 119.800 0.102 0.000 2.124 207 Q HA -0.185 4.156 4.340 0.002 0.000 0.202 207 Q C 1.730 177.718 176.000 -0.019 0.000 0.977 207 Q CA 2.202 58.014 55.803 0.015 0.000 0.850 207 Q CB -0.319 28.525 28.738 0.177 0.000 0.901 207 Q HN 0.748 nan 8.270 nan 0.000 0.429 208 E N -0.642 119.594 120.200 0.060 0.000 2.106 208 E HA -0.147 4.204 4.350 0.002 0.000 0.192 208 E C 1.931 178.640 176.600 0.182 0.000 0.984 208 E CA 1.297 57.757 56.400 0.101 0.000 0.806 208 E CB -0.082 29.728 29.700 0.183 0.000 0.750 208 E HN 0.447 nan 8.360 nan 0.000 0.458 209 M N -0.256 119.408 119.600 0.106 0.000 2.108 209 M HA -0.174 4.307 4.480 0.002 0.000 0.261 209 M C 2.101 178.445 176.300 0.073 0.000 1.066 209 M CA 1.440 56.753 55.300 0.021 0.000 1.107 209 M CB -0.269 32.134 32.600 -0.329 0.000 1.356 209 M HN 0.173 nan 8.290 nan 0.000 0.406 210 F N 0.763 120.512 119.950 -0.335 0.000 2.134 210 F HA -0.216 4.312 4.527 0.001 0.000 0.299 210 F C 2.240 177.929 175.800 -0.184 0.000 1.097 210 F CA 1.593 59.338 58.000 -0.425 0.000 1.264 210 F CB -0.129 38.238 39.000 -1.056 0.000 1.001 210 F HN 0.031 nan 8.300 nan 0.000 0.479 211 T N -0.380 114.029 114.554 -0.241 0.000 2.746 211 T HA -0.247 4.104 4.350 0.002 0.000 0.267 211 T C 1.565 176.118 174.700 -0.244 0.000 1.039 211 T CA 1.878 63.785 62.100 -0.322 0.000 1.142 211 T CB -0.769 67.949 68.868 -0.250 0.000 0.866 211 T HN 0.378 nan 8.240 nan 0.000 0.444 212 Y N 0.766 121.020 120.300 -0.076 0.000 2.224 212 Y HA -0.058 4.493 4.550 0.002 0.000 0.289 212 Y C 2.265 178.137 175.900 -0.046 0.000 1.146 212 Y CA 0.771 58.844 58.100 -0.045 0.000 1.182 212 Y CB -0.341 38.198 38.460 0.132 0.000 0.983 212 Y HN 0.168 nan 8.280 nan 0.000 0.524 213 I N -1.491 119.181 120.570 0.170 0.000 2.252 213 I HA -0.347 3.824 4.170 0.002 0.000 0.245 213 I C 2.264 178.345 176.117 -0.061 0.000 1.102 213 I CA 0.868 62.211 61.300 0.071 0.000 1.385 213 I CB -0.448 37.597 38.000 0.076 0.000 1.064 213 I HN 0.306 nan 8.210 nan 0.000 0.414 214 C N 0.729 119.869 119.300 -0.267 0.000 2.429 214 C HA -0.130 4.330 4.460 0.002 0.000 0.277 214 C C 2.596 177.499 174.990 -0.146 0.000 1.262 214 C CA 0.778 59.631 59.018 -0.274 0.000 1.733 214 C CB -1.408 26.038 27.740 -0.491 0.000 2.010 214 C HN 0.548 nan 8.230 nan 0.000 0.483 215 N N -0.097 118.503 118.700 -0.166 0.000 2.188 215 N HA -0.130 4.611 4.740 0.002 0.000 0.184 215 N C 1.417 176.847 175.510 -0.133 0.000 1.018 215 N CA 1.302 54.246 53.050 -0.176 0.000 0.858 215 N CB -0.747 37.570 38.487 -0.284 0.000 0.989 215 N HN 0.749 nan 8.380 nan 0.000 0.426 216 H N 0.679 119.641 119.070 -0.180 0.000 2.290 216 H HA 0.037 4.594 4.556 0.002 0.000 0.298 216 H C 2.127 177.508 175.328 0.088 0.000 1.087 216 H CA 1.692 57.720 56.048 -0.033 0.000 1.291 216 H CB -0.075 29.711 29.762 0.039 0.000 1.369 216 H HN 0.072 nan 8.280 nan 0.000 0.492 217 I N 0.632 121.356 120.570 0.257 0.000 2.226 217 I HA -0.273 3.898 4.170 0.002 0.000 0.245 217 I C 2.445 178.639 176.117 0.129 0.000 1.100 217 I CA 1.360 62.773 61.300 0.189 0.000 1.374 217 I CB -0.245 37.800 38.000 0.074 0.000 1.057 217 I HN 0.310 nan 8.210 nan 0.000 0.413 218 K N -0.016 120.429 120.400 0.074 0.000 2.032 218 K HA -0.259 4.062 4.320 0.002 0.000 0.209 218 K C 2.239 178.890 176.600 0.084 0.000 1.048 218 K CA 1.998 58.316 56.287 0.051 0.000 0.927 218 K CB -0.499 32.008 32.500 0.012 0.000 0.712 218 K HN 0.299 nan 8.250 nan 0.000 0.441 219 Y N 1.272 121.578 120.300 0.010 0.000 2.097 219 Y HA -0.289 4.262 4.550 0.001 0.000 0.282 219 Y C 2.238 178.187 175.900 0.081 0.000 1.152 219 Y CA 1.839 59.974 58.100 0.058 0.000 1.136 219 Y CB -0.262 38.278 38.460 0.133 0.000 0.975 219 Y HN 0.064 nan 8.280 nan 0.000 0.498 220 A N -0.960 121.961 122.820 0.168 0.000 1.968 220 A HA -0.105 4.216 4.320 0.002 0.000 0.217 220 A C 2.160 179.779 177.584 0.058 0.000 1.169 220 A CA 1.954 54.061 52.037 0.117 0.000 0.638 220 A CB -1.150 17.997 19.000 0.244 0.000 0.812 220 A HN 0.525 nan 8.150 nan 0.000 0.446 221 T N -0.476 114.120 114.554 0.069 0.000 2.732 221 T HA -0.083 4.268 4.350 0.002 0.000 0.261 221 T C 1.034 175.734 174.700 -0.001 0.000 1.040 221 T CA 0.998 63.134 62.100 0.060 0.000 1.145 221 T CB -0.447 68.461 68.868 0.067 0.000 0.866 221 T HN 0.733 nan 8.240 nan 0.000 0.427 222 N N 0.555 119.229 118.700 -0.044 0.000 2.735 222 N HA -0.270 4.470 4.740 0.002 0.000 0.248 222 N C -0.794 174.687 175.510 -0.047 0.000 1.083 222 N CA 0.019 53.020 53.050 -0.081 0.000 0.703 222 N CB -0.335 38.062 38.487 -0.150 0.000 1.005 222 N HN 0.137 nan 8.380 nan 0.000 0.550 223 R N -2.466 118.019 120.500 -0.025 0.000 3.758 223 R HA -0.215 4.125 4.340 0.002 0.000 0.299 223 R C 1.272 177.558 176.300 -0.024 0.000 1.182 223 R CA 1.729 57.816 56.100 -0.021 0.000 0.809 223 R CB -2.488 27.796 30.300 -0.027 0.000 1.249 223 R HN 1.051 nan 8.270 nan 0.000 0.497 224 G N -0.537 108.256 108.800 -0.011 0.000 2.238 224 G HA2 -0.321 3.639 3.960 0.002 0.000 0.217 224 G HA3 -0.321 3.639 3.960 0.002 0.000 0.217 224 G C 0.042 174.931 174.900 -0.019 0.000 0.996 224 G CA 0.138 45.233 45.100 -0.008 0.000 0.632 224 G HN 0.489 nan 8.290 nan 0.000 0.503 225 N N 1.135 119.809 118.700 -0.043 0.000 3.083 225 N HA 0.448 5.189 4.740 0.002 0.000 0.260 225 N C 0.143 175.611 175.510 -0.070 0.000 1.163 225 N CA -0.671 52.333 53.050 -0.076 0.000 1.060 225 N CB -0.043 38.394 38.487 -0.083 0.000 1.345 225 N HN 0.128 nan 8.380 nan 0.000 0.515 226 L N 2.301 123.506 121.223 -0.030 0.000 2.461 226 L HA 0.207 4.548 4.340 0.002 0.000 0.272 226 L C 0.617 177.567 176.870 0.134 0.000 1.197 226 L CA 0.689 55.581 54.840 0.088 0.000 0.836 226 L CB 0.511 42.728 42.059 0.264 0.000 1.105 226 L HN 0.391 nan 8.230 nan 0.000 0.477 227 R N 0.981 121.581 120.500 0.167 0.000 2.575 227 R HA 0.448 4.789 4.340 0.002 0.000 0.293 227 R C -0.751 175.708 176.300 0.265 0.000 0.983 227 R CA -0.671 55.551 56.100 0.203 0.000 0.887 227 R CB 1.726 32.000 30.300 -0.044 0.000 1.184 227 R HN 0.576 nan 8.270 nan 0.000 0.445 228 S N 1.429 117.304 115.700 0.293 0.000 2.549 228 S HA 0.492 4.963 4.470 0.002 0.000 0.283 228 S C -0.230 174.431 174.600 0.101 0.000 1.320 228 S CA -0.225 58.047 58.200 0.119 0.000 1.058 228 S CB 1.232 64.455 63.200 0.038 0.000 0.882 228 S HN 0.701 nan 8.310 nan 0.000 0.498 229 A N 2.484 125.324 122.820 0.034 0.000 2.610 229 A HA 0.832 5.153 4.320 0.002 0.000 0.291 229 A C -1.290 176.338 177.584 0.073 0.000 1.086 229 A CA -0.671 51.329 52.037 -0.061 0.000 0.677 229 A CB 1.184 20.070 19.000 -0.190 0.000 1.278 229 A HN 0.801 nan 8.150 nan 0.000 0.414 230 I N 0.241 120.843 120.570 0.053 0.000 2.722 230 I HA 0.648 4.819 4.170 0.002 0.000 0.295 230 I C -1.165 175.075 176.117 0.206 0.000 1.161 230 I CA -0.160 61.297 61.300 0.262 0.000 1.032 230 I CB 2.452 40.546 38.000 0.157 0.000 1.244 230 I HN 0.611 nan 8.210 nan 0.000 0.421 231 T N 6.100 120.804 114.554 0.250 0.000 2.792 231 T HA 0.476 4.826 4.350 0.002 0.000 0.280 231 T C -0.798 173.710 174.700 -0.320 0.000 0.990 231 T CA -0.376 61.705 62.100 -0.031 0.000 0.960 231 T CB 1.586 70.427 68.868 -0.046 0.000 0.939 231 T HN 0.266 nan 8.240 nan 0.000 0.439 232 V N 4.953 124.600 119.914 -0.444 0.000 2.328 232 V HA 0.468 4.589 4.120 0.002 0.000 0.278 232 V C -0.446 175.325 176.094 -0.538 0.000 1.021 232 V CA -0.838 61.207 62.300 -0.426 0.000 0.838 232 V CB 0.072 31.610 31.823 -0.475 0.000 0.999 232 V HN 0.714 nan 8.190 nan 0.000 0.447 233 F N 5.415 125.278 119.950 -0.145 0.000 2.368 233 F HA 0.501 5.029 4.527 0.001 0.000 0.315 233 F C -1.804 173.891 175.800 -0.175 0.000 1.145 233 F CA -2.464 55.388 58.000 -0.248 0.000 1.095 233 F CB 0.216 39.090 39.000 -0.211 0.000 1.286 233 F HN 0.287 nan 8.300 nan 0.000 0.530 234 P HA 0.001 nan 4.420 nan 0.000 0.265 234 P C -0.945 176.379 177.300 0.040 0.000 1.193 234 P CA -0.218 62.800 63.100 -0.135 0.000 0.765 234 P CB 0.207 31.647 31.700 -0.433 0.000 0.823 235 Q N 3.699 123.508 119.800 0.016 0.000 2.479 235 Q HA 0.056 4.396 4.340 0.002 0.000 0.267 235 Q C -0.169 175.744 176.000 -0.144 0.000 1.071 235 Q CA -0.110 55.472 55.803 -0.368 0.000 0.935 235 Q CB 0.434 28.703 28.738 -0.782 0.000 1.295 235 Q HN 0.352 nan 8.270 nan 0.000 0.476 236 R N 0.248 120.637 120.500 -0.186 0.000 2.679 236 R HA 0.375 4.716 4.340 0.002 0.000 0.268 236 R C -0.591 175.659 176.300 -0.085 0.000 1.044 236 R CA 0.438 56.495 56.100 -0.072 0.000 1.105 236 R CB 0.360 30.609 30.300 -0.084 0.000 0.989 236 R HN 0.736 nan 8.270 nan 0.000 0.447 237 A N 3.659 126.469 122.820 -0.018 0.000 2.393 237 A HA 0.519 4.839 4.320 0.002 0.000 0.306 237 A C -2.426 175.155 177.584 -0.005 0.000 1.050 237 A CA -1.853 50.176 52.037 -0.013 0.000 0.724 237 A CB 1.469 20.488 19.000 0.033 0.000 1.248 237 A HN 0.446 nan 8.150 nan 0.000 0.424 238 P HA 0.261 nan 4.420 nan 0.000 0.268 238 P C 0.805 178.108 177.300 0.006 0.000 1.205 238 P CA 1.578 64.675 63.100 -0.005 0.000 0.771 238 P CB 0.668 32.365 31.700 -0.005 0.000 0.858 239 G N 1.635 110.438 108.800 0.004 0.000 2.295 239 G HA2 -0.255 3.706 3.960 0.002 0.000 0.287 239 G HA3 -0.255 3.706 3.960 0.002 0.000 0.287 239 G C 0.073 174.979 174.900 0.011 0.000 1.055 239 G CA 0.197 45.302 45.100 0.008 0.000 0.922 239 G HN 0.885 nan 8.290 nan 0.000 0.503 240 R N -0.808 119.698 120.500 0.010 0.000 2.644 240 R HA 0.494 4.835 4.340 0.002 0.000 0.257 240 R C 0.613 176.916 176.300 0.004 0.000 1.082 240 R CA -0.177 55.928 56.100 0.009 0.000 0.927 240 R CB 0.509 30.822 30.300 0.022 0.000 1.258 240 R HN 0.801 nan 8.270 nan 0.000 0.459 241 G N 1.903 110.697 108.800 -0.010 0.000 2.559 241 G HA2 0.047 4.008 3.960 0.002 0.000 0.235 241 G HA3 0.047 4.008 3.960 0.002 0.000 0.235 241 G C -0.412 174.479 174.900 -0.015 0.000 1.266 241 G CA -0.200 44.891 45.100 -0.015 0.000 0.847 241 G HN 0.562 nan 8.290 nan 0.000 0.583 242 D N -0.110 120.298 120.400 0.014 0.000 2.304 242 D HA 0.256 4.897 4.640 0.002 0.000 0.247 242 D C 0.158 176.485 176.300 0.045 0.000 1.089 242 D CA 0.068 54.111 54.000 0.072 0.000 0.910 242 D CB 0.763 41.615 40.800 0.086 0.000 1.199 242 D HN 0.117 nan 8.370 nan 0.000 0.426 243 F N 1.767 121.751 119.950 0.056 0.000 2.495 243 F HA 0.205 4.733 4.527 0.001 0.000 0.365 243 F C 1.240 177.081 175.800 0.070 0.000 1.090 243 F CA 0.255 58.281 58.000 0.044 0.000 1.235 243 F CB 0.422 39.440 39.000 0.030 0.000 1.119 243 F HN -0.171 nan 8.300 nan 0.000 0.562 244 R N 3.609 124.246 120.500 0.228 0.000 2.698 244 R HA 0.525 4.866 4.340 0.002 0.000 0.275 244 R C -1.188 175.265 176.300 0.255 0.000 1.001 244 R CA -0.944 55.305 56.100 0.249 0.000 0.896 244 R CB 2.239 32.712 30.300 0.289 0.000 1.218 244 R HN 0.593 nan 8.270 nan 0.000 0.462 245 I N 1.669 122.379 120.570 0.234 0.000 2.321 245 I HA 0.178 4.349 4.170 0.002 0.000 0.291 245 I C 0.493 176.835 176.117 0.375 0.000 0.998 245 I CA -0.373 61.062 61.300 0.225 0.000 1.227 245 I CB 1.099 39.176 38.000 0.128 0.000 1.368 245 I HN 0.508 nan 8.210 nan 0.000 0.466 246 W N 3.326 124.670 121.300 0.073 0.000 2.518 246 W HA 0.003 4.664 4.660 0.002 0.000 0.273 246 W C 0.892 177.524 176.519 0.188 0.000 1.247 246 W CA -0.167 57.292 57.345 0.190 0.000 1.288 246 W CB -0.833 28.722 29.460 0.158 0.000 1.107 246 W HN 0.398 nan 8.180 nan 0.000 0.586 247 N N 0.138 119.008 118.700 0.284 0.000 2.441 247 N HA -0.018 4.723 4.740 0.002 0.000 0.251 247 N C 1.321 176.902 175.510 0.118 0.000 1.242 247 N CA 0.968 54.103 53.050 0.141 0.000 0.898 247 N CB 0.698 39.203 38.487 0.030 0.000 1.100 247 N HN -0.094 nan 8.380 nan 0.000 0.443 248 S N 0.587 116.345 115.700 0.097 0.000 2.446 248 S HA 0.027 4.498 4.470 0.002 0.000 0.225 248 S C 0.313 174.913 174.600 -0.000 0.000 1.016 248 S CA 0.434 58.678 58.200 0.074 0.000 0.943 248 S CB 0.129 63.394 63.200 0.109 0.000 0.786 248 S HN 0.630 nan 8.310 nan 0.000 0.508 249 Q N -0.545 119.238 119.800 -0.027 0.000 2.451 249 Q HA 0.525 4.866 4.340 0.002 0.000 0.281 249 Q C 0.217 176.134 176.000 -0.139 0.000 1.099 249 Q CA -0.574 55.171 55.803 -0.097 0.000 0.806 249 Q CB 1.991 30.694 28.738 -0.059 0.000 1.419 249 Q HN 0.092 nan 8.270 nan 0.000 0.427 250 L N 0.137 121.254 121.223 -0.175 0.000 2.083 250 L HA -0.005 4.336 4.340 0.002 0.000 0.209 250 L C 0.391 177.120 176.870 -0.235 0.000 1.083 250 L CA 0.877 55.617 54.840 -0.167 0.000 0.752 250 L CB 0.123 42.085 42.059 -0.162 0.000 0.899 250 L HN 0.291 nan 8.230 nan 0.000 0.433 251 V N 0.679 120.362 119.914 -0.385 0.000 2.378 251 V HA 0.440 4.561 4.120 0.002 0.000 0.288 251 V C -0.145 175.396 176.094 -0.922 0.000 1.016 251 V CA -0.607 61.289 62.300 -0.674 0.000 0.840 251 V CB 1.515 32.801 31.823 -0.894 0.000 0.994 251 V HN 0.212 nan 8.190 nan 0.000 0.431 252 R N 2.557 122.661 120.500 -0.660 0.000 2.739 252 R HA 0.562 4.903 4.340 0.002 0.000 0.271 252 R C -1.804 174.265 176.300 -0.385 0.000 1.010 252 R CA -0.937 54.881 56.100 -0.470 0.000 0.897 252 R CB 2.562 32.775 30.300 -0.145 0.000 1.236 252 R HN 0.547 nan 8.270 nan 0.000 0.466 253 Y N 0.430 120.724 120.300 -0.011 0.000 2.310 253 Y HA 0.410 4.961 4.550 0.001 0.000 0.326 253 Y C 0.842 176.716 175.900 -0.042 0.000 1.151 253 Y CA -0.591 57.523 58.100 0.022 0.000 1.195 253 Y CB 1.200 39.752 38.460 0.153 0.000 1.210 253 Y HN 0.677 nan 8.280 nan 0.000 0.483 254 A N 1.602 124.463 122.820 0.068 0.000 2.466 254 A HA 0.508 4.829 4.320 0.002 0.000 0.238 254 A C 0.624 177.998 177.584 -0.350 0.000 1.074 254 A CA 0.310 52.225 52.037 -0.203 0.000 0.774 254 A CB -0.299 18.512 19.000 -0.315 0.000 1.015 254 A HN 0.947 nan 8.150 nan 0.000 0.498 255 G N 0.291 108.858 108.800 -0.387 0.000 2.605 255 G HA2 0.550 4.511 3.960 0.002 0.000 0.304 255 G HA3 0.550 4.511 3.960 0.002 0.000 0.304 255 G C -1.109 173.623 174.900 -0.280 0.000 1.333 255 G CA -0.240 44.682 45.100 -0.297 0.000 0.973 255 G HN 0.548 nan 8.290 nan 0.000 0.507 256 Y N 1.544 121.854 120.300 0.016 0.000 2.356 256 Y HA 0.403 4.953 4.550 0.001 0.000 0.334 256 Y C 0.927 176.826 175.900 -0.002 0.000 0.958 256 Y CA -1.124 56.988 58.100 0.019 0.000 1.196 256 Y CB 1.693 40.162 38.460 0.015 0.000 1.137 256 Y HN 0.435 nan 8.280 nan 0.000 0.485 257 R N 3.017 123.601 120.500 0.140 0.000 2.723 257 R HA -0.039 4.302 4.340 0.002 0.000 0.358 257 R C -0.369 175.974 176.300 0.072 0.000 0.966 257 R CA 0.417 56.565 56.100 0.080 0.000 1.022 257 R CB -0.153 30.183 30.300 0.060 0.000 0.945 257 R HN 0.642 nan 8.270 nan 0.000 0.420 258 Q N 3.249 123.084 119.800 0.058 0.000 2.294 258 Q HA -0.034 4.307 4.340 0.002 0.000 0.257 258 Q C 0.544 176.554 176.000 0.016 0.000 0.955 258 Q CA -0.351 55.472 55.803 0.032 0.000 0.936 258 Q CB 1.187 29.941 28.738 0.027 0.000 1.188 258 Q HN 0.640 nan 8.270 nan 0.000 0.420 259 Q N 1.761 121.565 119.800 0.007 0.000 2.443 259 Q HA -0.346 3.995 4.340 0.002 0.000 0.365 259 Q C -0.254 175.749 176.000 0.006 0.000 1.971 259 Q CA 2.607 58.411 55.803 0.002 0.000 0.829 259 Q CB -1.287 27.448 28.738 -0.005 0.000 1.126 259 Q HN 0.782 nan 8.270 nan 0.000 0.867 260 D N 1.819 122.222 120.400 0.006 0.000 2.676 260 D HA 0.436 5.076 4.640 0.002 0.000 0.239 260 D C 1.141 177.447 176.300 0.009 0.000 1.213 260 D CA 0.801 54.805 54.000 0.006 0.000 0.835 260 D CB 0.157 40.959 40.800 0.003 0.000 1.009 260 D HN 0.719 nan 8.370 nan 0.000 0.479 261 G N 0.767 109.575 108.800 0.013 0.000 2.550 261 G HA2 -0.394 3.567 3.960 0.002 0.000 0.233 261 G HA3 -0.394 3.567 3.960 0.002 0.000 0.233 261 G C 0.872 175.782 174.900 0.016 0.000 1.170 261 G CA 0.411 45.521 45.100 0.016 0.000 0.693 261 G HN 0.724 nan 8.290 nan 0.000 0.512 262 S N -0.105 115.603 115.700 0.013 0.000 2.563 262 S HA 0.472 4.943 4.470 0.002 0.000 0.269 262 S C 0.168 174.774 174.600 0.010 0.000 1.364 262 S CA 0.472 58.677 58.200 0.009 0.000 1.010 262 S CB 1.660 64.864 63.200 0.007 0.000 0.877 262 S HN 1.395 nan 8.310 nan 0.000 0.549 263 V N 1.830 121.742 119.914 -0.004 0.000 2.735 263 V HA 0.561 4.682 4.120 0.002 0.000 0.310 263 V C 0.056 176.135 176.094 -0.026 0.000 1.061 263 V CA -0.924 61.370 62.300 -0.009 0.000 0.913 263 V CB 1.835 33.636 31.823 -0.037 0.000 1.005 263 V HN 0.983 nan 8.190 nan 0.000 0.428 264 R N 2.242 122.755 120.500 0.021 0.000 2.255 264 R HA 0.678 5.019 4.340 0.002 0.000 0.326 264 R C 0.477 176.750 176.300 -0.046 0.000 0.986 264 R CA 0.911 57.025 56.100 0.023 0.000 0.847 264 R CB 1.015 31.390 30.300 0.125 0.000 1.111 264 R HN 1.226 nan 8.270 nan 0.000 0.452 265 G N 2.938 111.618 108.800 -0.201 0.000 2.464 265 G HA2 -0.241 3.720 3.960 0.002 0.000 0.216 265 G HA3 -0.241 3.720 3.960 0.002 0.000 0.216 265 G C -1.372 173.160 174.900 -0.613 0.000 1.186 265 G CA -0.103 44.802 45.100 -0.325 0.000 1.010 265 G HN 0.631 nan 8.290 nan 0.000 0.585 266 D N 1.555 121.724 120.400 -0.384 0.000 2.396 266 D HA 0.588 5.229 4.640 0.002 0.000 0.225 266 D C -1.116 175.082 176.300 -0.171 0.000 1.121 266 D CA -2.073 51.725 54.000 -0.337 0.000 0.853 266 D CB 1.513 42.408 40.800 0.158 0.000 1.043 266 D HN -0.010 nan 8.370 nan 0.000 0.500 267 P HA -0.068 nan 4.420 nan 0.000 0.221 267 P C 0.873 178.178 177.300 0.008 0.000 1.145 267 P CA 0.798 63.858 63.100 -0.067 0.000 0.795 267 P CB 0.278 31.950 31.700 -0.047 0.000 0.775 268 A N -0.460 122.382 122.820 0.038 0.000 2.067 268 A HA -0.116 4.205 4.320 0.002 0.000 0.219 268 A C 1.581 179.216 177.584 0.085 0.000 1.158 268 A CA 1.338 53.432 52.037 0.094 0.000 0.661 268 A CB -0.798 18.281 19.000 0.132 0.000 0.801 268 A HN 0.148 nan 8.150 nan 0.000 0.452 269 N N -0.472 118.256 118.700 0.048 0.000 2.275 269 N HA 0.161 4.902 4.740 0.002 0.000 0.236 269 N C 1.001 176.507 175.510 -0.006 0.000 1.154 269 N CA 0.084 53.152 53.050 0.031 0.000 0.866 269 N CB 0.723 39.223 38.487 0.022 0.000 1.093 269 N HN 0.174 nan 8.380 nan 0.000 0.515 270 V N 0.968 120.884 119.914 0.003 0.000 2.295 270 V HA -0.239 3.882 4.120 0.002 0.000 0.246 270 V C 2.450 178.547 176.094 0.006 0.000 1.049 270 V CA 1.917 64.217 62.300 0.001 0.000 1.024 270 V CB -0.197 31.638 31.823 0.019 0.000 0.648 270 V HN 0.406 nan 8.190 nan 0.000 0.447 271 E N -0.177 120.032 120.200 0.015 0.000 2.047 271 E HA -0.248 4.103 4.350 0.002 0.000 0.191 271 E C 2.139 178.665 176.600 -0.123 0.000 0.987 271 E CA 1.655 58.041 56.400 -0.024 0.000 0.799 271 E CB -0.222 29.505 29.700 0.045 0.000 0.752 271 E HN 0.472 nan 8.360 nan 0.000 0.449 272 I N 1.032 121.540 120.570 -0.103 0.000 2.361 272 I HA -0.201 3.970 4.170 0.002 0.000 0.251 272 I C 1.975 178.035 176.117 -0.095 0.000 1.133 272 I CA 1.523 62.726 61.300 -0.160 0.000 1.413 272 I CB -0.385 37.576 38.000 -0.065 0.000 1.073 272 I HN 0.118 nan 8.210 nan 0.000 0.424 273 T N 0.559 115.087 114.554 -0.043 0.000 2.746 273 T HA -0.136 4.215 4.350 0.002 0.000 0.267 273 T C 1.797 176.565 174.700 0.113 0.000 1.039 273 T CA 1.473 63.592 62.100 0.032 0.000 1.142 273 T CB -0.209 68.670 68.868 0.019 0.000 0.866 273 T HN 0.338 nan 8.240 nan 0.000 0.444 274 E N 1.082 121.315 120.200 0.056 0.000 2.077 274 E HA -0.005 4.346 4.350 0.002 0.000 0.193 274 E C 2.293 178.920 176.600 0.044 0.000 0.989 274 E CA 0.716 57.153 56.400 0.061 0.000 0.800 274 E CB -0.465 29.248 29.700 0.023 0.000 0.746 274 E HN 0.468 nan 8.360 nan 0.000 0.452 275 L N -0.047 121.165 121.223 -0.019 0.000 2.083 275 L HA -0.199 4.142 4.340 0.002 0.000 0.209 275 L C 2.654 179.622 176.870 0.163 0.000 1.083 275 L CA 0.818 55.687 54.840 0.048 0.000 0.752 275 L CB -0.374 41.641 42.059 -0.073 0.000 0.899 275 L HN 0.169 nan 8.230 nan 0.000 0.433 276 C N -0.131 119.219 119.300 0.083 0.000 2.429 276 C HA -0.136 4.325 4.460 0.002 0.000 0.277 276 C C 2.713 177.860 174.990 0.261 0.000 1.262 276 C CA 0.476 59.554 59.018 0.099 0.000 1.733 276 C CB -0.575 27.134 27.740 -0.052 0.000 2.010 276 C HN 0.427 nan 8.230 nan 0.000 0.483 277 I N 0.852 121.599 120.570 0.296 0.000 2.315 277 I HA -0.246 3.925 4.170 0.002 0.000 0.248 277 I C 2.810 178.985 176.117 0.097 0.000 1.117 277 I CA 1.600 63.038 61.300 0.231 0.000 1.404 277 I CB -0.588 37.520 38.000 0.181 0.000 1.071 277 I HN 0.516 nan 8.210 nan 0.000 0.419 278 Q N 0.558 120.388 119.800 0.050 0.000 2.297 278 Q HA -0.196 4.144 4.340 0.002 0.000 0.204 278 Q C 0.971 176.851 176.000 -0.200 0.000 0.962 278 Q CA 1.425 57.179 55.803 -0.082 0.000 0.879 278 Q CB -0.040 28.631 28.738 -0.112 0.000 0.947 278 Q HN 0.575 nan 8.270 nan 0.000 0.462 279 H N -1.037 118.015 119.070 -0.029 0.000 2.537 279 H HA 0.305 4.862 4.556 0.001 0.000 0.295 279 H C 0.463 175.759 175.328 -0.054 0.000 1.054 279 H CA 0.601 56.603 56.048 -0.076 0.000 1.156 279 H CB 0.897 30.565 29.762 -0.157 0.000 1.468 279 H HN 0.502 nan 8.280 nan 0.000 0.551 280 G N -0.252 108.586 108.800 0.063 0.000 2.144 280 G HA2 -0.256 3.705 3.960 0.002 0.000 0.218 280 G HA3 -0.256 3.705 3.960 0.002 0.000 0.218 280 G C -0.138 174.828 174.900 0.109 0.000 0.988 280 G CA -0.229 44.896 45.100 0.041 0.000 0.659 280 G HN 0.367 nan 8.290 nan 0.000 0.522 281 W N 3.065 124.341 121.300 -0.041 0.000 2.238 281 W HA 0.571 5.232 4.660 0.001 0.000 0.321 281 W C 0.993 177.501 176.519 -0.018 0.000 1.293 281 W CA 0.097 57.422 57.345 -0.033 0.000 1.204 281 W CB 0.742 30.194 29.460 -0.014 0.000 1.167 281 W HN 0.518 nan 8.180 nan 0.000 0.553 282 T N 6.352 120.639 114.554 -0.445 0.000 2.723 282 T HA 0.381 4.732 4.350 0.002 0.000 0.297 282 T C -2.125 171.839 174.700 -1.227 0.000 0.925 282 T CA -1.745 60.002 62.100 -0.587 0.000 1.030 282 T CB 0.789 69.455 68.868 -0.337 0.000 0.905 282 T HN 0.317 nan 8.240 nan 0.000 0.502 283 P HA 0.296 nan 4.420 nan 0.000 0.272 283 P C 0.707 177.561 177.300 -0.744 0.000 1.223 283 P CA -0.137 62.204 63.100 -1.265 0.000 0.784 283 P CB 0.719 32.093 31.700 -0.544 0.000 0.923 284 G N 1.309 109.836 108.800 -0.456 0.000 2.531 284 G HA2 0.193 4.154 3.960 0.002 0.000 0.253 284 G HA3 0.193 4.154 3.960 0.002 0.000 0.253 284 G C 0.478 175.143 174.900 -0.391 0.000 1.439 284 G CA -0.418 44.564 45.100 -0.197 0.000 1.056 284 G HN 0.715 nan 8.290 nan 0.000 0.555 285 N N -0.882 117.701 118.700 -0.195 0.000 2.217 285 N HA 0.162 4.903 4.740 0.002 0.000 0.239 285 N C 0.485 175.999 175.510 0.006 0.000 1.330 285 N CA 0.178 53.062 53.050 -0.276 0.000 0.838 285 N CB 0.423 38.775 38.487 -0.225 0.000 1.287 285 N HN 0.624 nan 8.380 nan 0.000 0.498 286 G N 0.441 109.343 108.800 0.170 0.000 2.535 286 G HA2 0.324 4.285 3.960 0.002 0.000 0.303 286 G HA3 0.324 4.285 3.960 0.002 0.000 0.303 286 G C 0.505 175.500 174.900 0.158 0.000 1.237 286 G CA -0.572 44.625 45.100 0.162 0.000 0.986 286 G HN 0.115 nan 8.290 nan 0.000 0.494 287 R N -1.250 119.253 120.500 0.006 0.000 2.210 287 R HA 0.130 4.471 4.340 0.002 0.000 0.203 287 R C -0.007 175.913 176.300 -0.633 0.000 1.010 287 R CA 0.627 56.561 56.100 -0.276 0.000 1.008 287 R CB 0.089 30.151 30.300 -0.397 0.000 0.923 287 R HN 0.439 nan 8.270 nan 0.000 0.469 288 F N 0.619 120.535 119.950 -0.057 0.000 2.688 288 F HA 0.230 4.758 4.527 0.001 0.000 0.376 288 F C -0.740 175.042 175.800 -0.031 0.000 1.428 288 F CA -0.976 56.747 58.000 -0.461 0.000 1.156 288 F CB 0.763 39.351 39.000 -0.687 0.000 1.141 288 F HN -0.298 nan 8.300 nan 0.000 0.521 289 D N 1.714 122.293 120.400 0.298 0.000 2.336 289 D HA 0.161 4.801 4.640 0.002 0.000 0.249 289 D C 0.216 176.778 176.300 0.437 0.000 1.213 289 D CA 0.225 54.465 54.000 0.400 0.000 0.870 289 D CB 1.903 42.988 40.800 0.476 0.000 1.076 289 D HN -0.067 nan 8.370 nan 0.000 0.483 290 V N 3.977 124.111 119.914 0.368 0.000 2.540 290 V HA -0.038 4.083 4.120 0.002 0.000 0.297 290 V C 1.054 177.143 176.094 -0.008 0.000 1.024 290 V CA -0.166 62.216 62.300 0.136 0.000 1.105 290 V CB 0.231 32.090 31.823 0.059 0.000 0.938 290 V HN 0.361 nan 8.190 nan 0.000 0.482 291 L N 8.325 129.437 121.223 -0.186 0.000 2.439 291 L HA 0.313 4.653 4.340 0.002 0.000 0.269 291 L C -1.630 174.964 176.870 -0.460 0.000 1.179 291 L CA -1.364 53.210 54.840 -0.443 0.000 0.828 291 L CB 0.903 42.745 42.059 -0.362 0.000 1.106 291 L HN 0.498 nan 8.230 nan 0.000 0.467 292 P HA 0.186 nan 4.420 nan 0.000 0.276 292 P C -1.034 176.076 177.300 -0.317 0.000 1.252 292 P CA -0.438 62.367 63.100 -0.491 0.000 0.802 292 P CB 0.807 32.079 31.700 -0.714 0.000 1.035 293 L N 0.981 122.104 121.223 -0.166 0.000 2.334 293 L HA 0.375 4.716 4.340 0.002 0.000 0.277 293 L C 0.495 177.297 176.870 -0.113 0.000 1.075 293 L CA -0.704 54.084 54.840 -0.085 0.000 0.804 293 L CB 0.411 42.495 42.059 0.041 0.000 1.174 293 L HN 0.206 nan 8.230 nan 0.000 0.438 294 L N 4.990 126.131 121.223 -0.137 0.000 2.277 294 L HA 0.476 4.817 4.340 0.002 0.000 0.284 294 L C -0.641 176.085 176.870 -0.240 0.000 1.028 294 L CA -0.210 54.451 54.840 -0.298 0.000 0.835 294 L CB 0.987 42.759 42.059 -0.477 0.000 1.215 294 L HN 0.447 nan 8.230 nan 0.000 0.425 295 L N 4.049 125.174 121.223 -0.163 0.000 2.329 295 L HA 0.555 4.896 4.340 0.002 0.000 0.279 295 L C -0.401 176.385 176.870 -0.141 0.000 1.014 295 L CA -0.477 54.318 54.840 -0.076 0.000 0.814 295 L CB 1.964 44.034 42.059 0.019 0.000 1.257 295 L HN 0.559 nan 8.230 nan 0.000 0.424 296 Q N 2.199 121.957 119.800 -0.070 0.000 2.321 296 Q HA 0.686 5.027 4.340 0.002 0.000 0.270 296 Q C -1.229 174.720 176.000 -0.084 0.000 1.032 296 Q CA -0.571 55.193 55.803 -0.065 0.000 0.784 296 Q CB 2.375 31.167 28.738 0.090 0.000 1.264 296 Q HN 0.793 nan 8.270 nan 0.000 0.448 297 A N 4.738 127.458 122.820 -0.167 0.000 2.286 297 A HA 0.649 4.970 4.320 0.002 0.000 0.286 297 A C -2.426 174.914 177.584 -0.407 0.000 1.097 297 A CA -1.568 50.218 52.037 -0.418 0.000 0.821 297 A CB 0.150 18.994 19.000 -0.259 0.000 1.076 297 A HN 0.608 nan 8.150 nan 0.000 0.490 298 P HA 0.054 nan 4.420 nan 0.000 0.261 298 P C -0.693 176.517 177.300 -0.150 0.000 1.183 298 P CA 0.841 63.749 63.100 -0.319 0.000 0.761 298 P CB 0.144 31.655 31.700 -0.315 0.000 0.785 299 D N 0.315 120.673 120.400 -0.070 0.000 2.837 299 D HA -0.161 4.480 4.640 0.002 0.000 0.230 299 D C -0.037 176.252 176.300 -0.018 0.000 1.152 299 D CA 1.301 55.287 54.000 -0.024 0.000 0.736 299 D CB -0.581 40.205 40.800 -0.024 0.000 1.084 299 D HN 0.445 nan 8.370 nan 0.000 0.429 300 E N -0.830 119.357 120.200 -0.022 0.000 2.369 300 E HA 0.695 5.046 4.350 0.002 0.000 0.270 300 E C -0.023 176.576 176.600 -0.001 0.000 0.909 300 E CA -0.782 55.606 56.400 -0.021 0.000 0.775 300 E CB 1.584 31.253 29.700 -0.052 0.000 1.270 300 E HN 0.110 nan 8.360 nan 0.000 0.445 301 A N 2.536 125.351 122.820 -0.008 0.000 2.445 301 A HA 0.389 4.710 4.320 0.002 0.000 0.242 301 A C -2.041 175.443 177.584 -0.167 0.000 1.075 301 A CA -0.830 51.191 52.037 -0.027 0.000 0.777 301 A CB -0.552 18.453 19.000 0.010 0.000 1.013 301 A HN 0.252 nan 8.150 nan 0.000 0.493 302 P HA 0.189 nan 4.420 nan 0.000 0.271 302 P C -0.626 176.388 177.300 -0.477 0.000 1.218 302 P CA 0.107 62.832 63.100 -0.625 0.000 0.780 302 P CB 0.610 31.431 31.700 -1.465 0.000 0.901 303 E N 0.732 120.729 120.200 -0.339 0.000 2.191 303 E HA 0.406 4.757 4.350 0.002 0.000 0.274 303 E C -0.614 175.685 176.600 -0.502 0.000 0.948 303 E CA -1.037 55.145 56.400 -0.364 0.000 0.802 303 E CB 1.315 30.867 29.700 -0.246 0.000 1.137 303 E HN 0.304 nan 8.360 nan 0.000 0.397 304 L N 3.261 124.100 121.223 -0.640 0.000 2.305 304 L HA 0.403 4.744 4.340 0.002 0.000 0.281 304 L C -1.525 174.737 176.870 -1.014 0.000 1.085 304 L CA 0.228 54.713 54.840 -0.592 0.000 0.813 304 L CB 0.146 41.995 42.059 -0.349 0.000 1.157 304 L HN 0.422 nan 8.230 nan 0.000 0.436 305 F N 4.268 123.966 119.950 -0.419 0.000 2.579 305 F HA 0.394 4.922 4.527 0.001 0.000 0.325 305 F C -0.349 175.168 175.800 -0.472 0.000 1.162 305 F CA -0.886 56.715 58.000 -0.665 0.000 0.946 305 F CB 1.688 39.877 39.000 -1.352 0.000 1.211 305 F HN 0.026 nan 8.300 nan 0.000 0.447 306 V N 4.856 124.670 119.914 -0.166 0.000 2.488 306 V HA 0.179 4.300 4.120 0.002 0.000 0.277 306 V C 0.395 176.575 176.094 0.143 0.000 1.046 306 V CA -0.561 61.731 62.300 -0.014 0.000 0.986 306 V CB 1.006 32.868 31.823 0.064 0.000 0.989 306 V HN 0.543 nan 8.190 nan 0.000 0.475 307 L N 7.704 129.031 121.223 0.174 0.000 2.453 307 L HA 0.259 4.600 4.340 0.002 0.000 0.272 307 L C -1.993 174.988 176.870 0.186 0.000 1.182 307 L CA -1.452 53.542 54.840 0.256 0.000 0.858 307 L CB 0.489 42.626 42.059 0.131 0.000 1.120 307 L HN 0.467 nan 8.230 nan 0.000 0.474 308 P HA 0.138 nan 4.420 nan 0.000 0.270 308 P C -2.155 175.193 177.300 0.080 0.000 1.242 308 P CA -1.420 61.751 63.100 0.118 0.000 0.768 308 P CB 0.506 32.261 31.700 0.092 0.000 0.820 309 P HA -0.246 nan 4.420 nan 0.000 0.217 309 P C 1.425 178.756 177.300 0.051 0.000 1.151 309 P CA 1.516 64.657 63.100 0.069 0.000 0.849 309 P CB -0.180 31.564 31.700 0.074 0.000 0.787 310 E N -0.642 119.584 120.200 0.044 0.000 2.401 310 E HA -0.160 4.191 4.350 0.002 0.000 0.199 310 E C 1.454 178.068 176.600 0.024 0.000 1.023 310 E CA 1.015 57.433 56.400 0.030 0.000 0.859 310 E CB -0.880 28.835 29.700 0.024 0.000 0.780 310 E HN 0.214 nan 8.360 nan 0.000 0.523 311 L N 0.939 122.178 121.223 0.026 0.000 2.446 311 L HA 0.075 4.416 4.340 0.002 0.000 0.219 311 L C 0.659 177.544 176.870 0.024 0.000 1.116 311 L CA 0.516 55.367 54.840 0.018 0.000 0.844 311 L CB 0.456 42.519 42.059 0.007 0.000 0.970 311 L HN -0.089 nan 8.230 nan 0.000 0.457 312 V N 1.425 121.356 119.914 0.029 0.000 2.288 312 V HA 0.218 4.339 4.120 0.002 0.000 0.266 312 V C -0.080 176.041 176.094 0.045 0.000 1.048 312 V CA -0.858 61.459 62.300 0.028 0.000 0.842 312 V CB 1.135 32.967 31.823 0.015 0.000 1.064 312 V HN -0.022 nan 8.190 nan 0.000 0.472 313 L N 5.438 126.694 121.223 0.054 0.000 2.360 313 L HA 0.448 4.789 4.340 0.002 0.000 0.276 313 L C 0.171 177.078 176.870 0.062 0.000 1.121 313 L CA 0.873 55.740 54.840 0.044 0.000 0.845 313 L CB 0.462 42.542 42.059 0.036 0.000 1.143 313 L HN 0.654 nan 8.230 nan 0.000 0.452 314 E N 3.135 123.348 120.200 0.023 0.000 2.312 314 E HA 0.588 4.939 4.350 0.002 0.000 0.267 314 E C -1.511 175.034 176.600 -0.091 0.000 0.894 314 E CA -0.987 55.426 56.400 0.022 0.000 0.773 314 E CB 2.510 32.252 29.700 0.070 0.000 1.241 314 E HN 0.355 nan 8.360 nan 0.000 0.432 315 V N 3.297 123.124 119.914 -0.145 0.000 2.376 315 V HA 0.314 4.435 4.120 0.002 0.000 0.287 315 V C -2.350 173.672 176.094 -0.121 0.000 1.015 315 V CA -1.904 60.238 62.300 -0.263 0.000 0.834 315 V CB 1.292 32.676 31.823 -0.731 0.000 1.001 315 V HN 0.530 nan 8.190 nan 0.000 0.428 316 P HA 0.302 nan 4.420 nan 0.000 0.275 316 P C -0.763 176.542 177.300 0.009 0.000 1.227 316 P CA -0.164 62.907 63.100 -0.049 0.000 0.781 316 P CB 0.960 32.640 31.700 -0.033 0.000 0.906 317 L N 3.036 124.302 121.223 0.071 0.000 2.289 317 L HA 0.455 4.796 4.340 0.002 0.000 0.285 317 L C 1.057 178.082 176.870 0.259 0.000 1.049 317 L CA -0.290 54.656 54.840 0.177 0.000 0.804 317 L CB 0.673 42.900 42.059 0.280 0.000 1.195 317 L HN 0.512 nan 8.230 nan 0.000 0.428 318 E N 1.576 121.902 120.200 0.211 0.000 2.416 318 E HA 0.426 4.777 4.350 0.002 0.000 0.273 318 E C -1.314 175.328 176.600 0.070 0.000 0.935 318 E CA -0.944 55.590 56.400 0.223 0.000 0.784 318 E CB 2.175 31.985 29.700 0.185 0.000 1.301 318 E HN 0.454 nan 8.360 nan 0.000 0.454 319 H N 1.278 120.217 119.070 -0.218 0.000 2.472 319 H HA 0.258 4.815 4.556 0.002 0.000 0.338 319 H C -1.862 173.101 175.328 -0.608 0.000 1.133 319 H CA -2.429 53.310 56.048 -0.514 0.000 1.216 319 H CB 2.023 31.378 29.762 -0.678 0.000 1.497 319 H HN 0.412 nan 8.280 nan 0.000 0.500 320 P HA -0.061 nan 4.420 nan 0.000 0.226 320 P C 0.854 177.960 177.300 -0.324 0.000 1.153 320 P CA 1.273 63.802 63.100 -0.951 0.000 0.777 320 P CB 0.410 31.587 31.700 -0.873 0.000 0.794 321 T N -5.137 109.392 114.554 -0.043 0.000 2.992 321 T HA 0.214 4.565 4.350 0.002 0.000 0.255 321 T C 0.590 175.245 174.700 -0.075 0.000 0.938 321 T CA -0.198 61.891 62.100 -0.019 0.000 0.895 321 T CB -0.553 68.318 68.868 0.005 0.000 1.221 321 T HN -0.082 nan 8.240 nan 0.000 0.512 322 L N 3.583 124.694 121.223 -0.186 0.000 2.295 322 L HA 0.391 4.732 4.340 0.002 0.000 0.288 322 L C 1.634 178.135 176.870 -0.615 0.000 1.079 322 L CA -0.640 53.821 54.840 -0.632 0.000 0.830 322 L CB 0.962 42.234 42.059 -1.312 0.000 1.200 322 L HN 0.325 nan 8.230 nan 0.000 0.438 323 E N 3.814 123.800 120.200 -0.358 0.000 2.097 323 E HA -0.252 4.099 4.350 0.002 0.000 0.196 323 E C 1.598 178.151 176.600 -0.077 0.000 1.000 323 E CA 1.689 58.009 56.400 -0.133 0.000 0.804 323 E CB -0.252 29.455 29.700 0.012 0.000 0.740 323 E HN 0.767 nan 8.360 nan 0.000 0.454 324 W N -0.129 121.217 121.300 0.078 0.000 2.699 324 W HA 0.117 4.778 4.660 0.002 0.000 0.249 324 W C 1.273 177.843 176.519 0.086 0.000 1.280 324 W CA -0.243 57.138 57.345 0.060 0.000 1.345 324 W CB -0.805 28.669 29.460 0.023 0.000 1.128 324 W HN -0.002 nan 8.180 nan 0.000 0.642 325 F N 2.979 122.749 119.950 -0.301 0.000 2.102 325 F HA -0.101 4.427 4.527 0.001 0.000 0.298 325 F C 2.742 178.594 175.800 0.086 0.000 1.105 325 F CA 2.997 60.934 58.000 -0.106 0.000 1.239 325 F CB -0.580 38.190 39.000 -0.384 0.000 0.991 325 F HN -0.088 nan 8.300 nan 0.000 0.474 326 A N 0.289 123.272 122.820 0.271 0.000 1.997 326 A HA -0.222 4.099 4.320 0.002 0.000 0.221 326 A C 2.255 179.913 177.584 0.124 0.000 1.172 326 A CA 1.797 53.949 52.037 0.191 0.000 0.645 326 A CB -1.542 17.542 19.000 0.140 0.000 0.813 326 A HN 0.488 nan 8.150 nan 0.000 0.454 327 A N -0.763 122.137 122.820 0.135 0.000 2.172 327 A HA 0.156 4.477 4.320 0.002 0.000 0.216 327 A C 1.895 179.524 177.584 0.076 0.000 1.154 327 A CA 0.999 53.101 52.037 0.109 0.000 0.701 327 A CB -0.518 18.564 19.000 0.137 0.000 0.789 327 A HN 0.497 nan 8.150 nan 0.000 0.465 328 L N -1.251 119.992 121.223 0.034 0.000 2.376 328 L HA 0.046 4.387 4.340 0.002 0.000 0.219 328 L C 1.803 178.699 176.870 0.043 0.000 1.133 328 L CA 0.688 55.521 54.840 -0.012 0.000 0.816 328 L CB -0.361 41.591 42.059 -0.178 0.000 0.933 328 L HN 0.569 nan 8.230 nan 0.000 0.449 329 G N 0.500 109.332 108.800 0.053 0.000 2.160 329 G HA2 -0.274 3.687 3.960 0.002 0.000 0.251 329 G HA3 -0.274 3.687 3.960 0.002 0.000 0.251 329 G C 0.169 175.100 174.900 0.051 0.000 1.008 329 G CA -0.108 45.035 45.100 0.072 0.000 0.724 329 G HN 0.233 nan 8.290 nan 0.000 0.514 330 L N 0.104 121.331 121.223 0.006 0.000 2.418 330 L HA 0.748 5.089 4.340 0.002 0.000 0.265 330 L C 1.141 177.826 176.870 -0.307 0.000 1.143 330 L CA -0.599 54.166 54.840 -0.126 0.000 0.809 330 L CB 0.778 42.865 42.059 0.047 0.000 1.124 330 L HN 0.514 nan 8.230 nan 0.000 0.456 331 R N 1.561 121.637 120.500 -0.706 0.000 2.734 331 R HA 0.506 4.847 4.340 0.002 0.000 0.271 331 R C -2.013 174.200 176.300 -0.146 0.000 1.021 331 R CA -0.950 54.905 56.100 -0.408 0.000 0.893 331 R CB 2.095 32.126 30.300 -0.448 0.000 1.244 331 R HN 0.686 nan 8.270 nan 0.000 0.464 332 W N 1.582 122.813 121.300 -0.115 0.000 3.118 332 W HA 0.378 5.039 4.660 0.002 0.000 0.328 332 W C -1.158 175.434 176.519 0.123 0.000 1.239 332 W CA -1.028 56.331 57.345 0.024 0.000 1.176 332 W CB 2.018 31.410 29.460 -0.114 0.000 1.433 332 W HN 0.681 nan 8.180 nan 0.000 0.562 333 Y N 0.979 121.184 120.300 -0.159 0.000 2.300 333 Y HA 0.549 5.100 4.550 0.002 0.000 0.328 333 Y C 0.794 176.911 175.900 0.362 0.000 1.270 333 Y CA 0.055 58.156 58.100 0.001 0.000 1.352 333 Y CB 0.253 38.575 38.460 -0.231 0.000 1.286 333 Y HN 0.351 nan 8.280 nan 0.000 0.536 334 A N 2.068 125.157 122.820 0.449 0.000 1.970 334 A HA 0.064 4.385 4.320 0.002 0.000 0.216 334 A C 0.501 178.453 177.584 0.614 0.000 1.170 334 A CA 0.411 52.768 52.037 0.534 0.000 0.645 334 A CB -0.305 18.854 19.000 0.265 0.000 0.816 334 A HN 0.672 nan 8.150 nan 0.000 0.447 335 L N 1.948 123.488 121.223 0.529 0.000 2.262 335 L HA 0.424 4.765 4.340 0.002 0.000 0.288 335 L C -2.591 174.467 176.870 0.315 0.000 1.035 335 L CA -2.317 52.731 54.840 0.346 0.000 0.820 335 L CB 1.520 43.706 42.059 0.211 0.000 1.204 335 L HN -0.039 nan 8.230 nan 0.000 0.424 336 P HA 0.324 nan 4.420 nan 0.000 0.286 336 P C -1.377 175.842 177.300 -0.135 0.000 1.321 336 P CA -0.316 62.684 63.100 -0.167 0.000 0.790 336 P CB 1.332 32.567 31.700 -0.775 0.000 0.897 337 A N 4.473 127.218 122.820 -0.126 0.000 2.646 337 A HA 0.402 4.723 4.320 0.002 0.000 0.312 337 A C -0.283 177.075 177.584 -0.377 0.000 1.245 337 A CA -0.638 51.252 52.037 -0.246 0.000 0.755 337 A CB 0.595 19.487 19.000 -0.180 0.000 1.132 337 A HN 0.295 nan 8.150 nan 0.000 0.458 338 V N 2.643 122.157 119.914 -0.667 0.000 2.521 338 V HA 0.259 4.380 4.120 0.002 0.000 0.286 338 V C 1.258 176.955 176.094 -0.662 0.000 1.034 338 V CA 1.198 63.083 62.300 -0.692 0.000 1.045 338 V CB 1.122 32.349 31.823 -0.994 0.000 0.974 338 V HN 1.079 nan 8.190 nan 0.000 0.480 339 S N 1.692 117.209 115.700 -0.306 0.000 2.733 339 S HA 0.062 4.533 4.470 0.002 0.000 0.247 339 S C 0.730 175.315 174.600 -0.024 0.000 1.043 339 S CA 0.074 58.176 58.200 -0.163 0.000 1.066 339 S CB -0.376 62.764 63.200 -0.101 0.000 1.045 339 S HN 0.912 nan 8.310 nan 0.000 0.586 340 N N 0.429 119.125 118.700 -0.006 0.000 2.204 340 N HA 0.321 5.062 4.740 0.002 0.000 0.219 340 N C 0.107 175.674 175.510 0.096 0.000 1.151 340 N CA -0.520 52.568 53.050 0.063 0.000 0.867 340 N CB 0.139 38.668 38.487 0.069 0.000 1.043 340 N HN 0.263 nan 8.380 nan 0.000 0.516 341 M N 1.182 120.851 119.600 0.114 0.000 2.359 341 M HA 0.302 4.783 4.480 0.002 0.000 0.322 341 M C -0.466 175.970 176.300 0.227 0.000 1.166 341 M CA -0.813 54.593 55.300 0.177 0.000 1.067 341 M CB 2.124 34.852 32.600 0.212 0.000 1.523 341 M HN 0.119 nan 8.290 nan 0.000 0.467 342 L N 2.541 123.880 121.223 0.194 0.000 2.289 342 L HA 0.476 4.817 4.340 0.002 0.000 0.285 342 L C -1.232 175.757 176.870 0.198 0.000 1.049 342 L CA -0.848 54.097 54.840 0.175 0.000 0.804 342 L CB 1.017 43.129 42.059 0.087 0.000 1.195 342 L HN 0.567 nan 8.230 nan 0.000 0.428 343 L N 5.445 126.786 121.223 0.198 0.000 2.257 343 L HA 0.426 4.767 4.340 0.002 0.000 0.290 343 L C -0.450 176.430 176.870 0.016 0.000 1.044 343 L CA 0.266 55.111 54.840 0.009 0.000 0.810 343 L CB 1.033 43.101 42.059 0.015 0.000 1.193 343 L HN 0.622 nan 8.230 nan 0.000 0.425 344 E N 6.729 126.854 120.200 -0.126 0.000 2.133 344 E HA 0.376 4.727 4.350 0.002 0.000 0.274 344 E C -1.543 174.950 176.600 -0.178 0.000 0.930 344 E CA -0.418 55.917 56.400 -0.109 0.000 0.770 344 E CB 1.011 30.646 29.700 -0.108 0.000 1.104 344 E HN 0.726 nan 8.360 nan 0.000 0.403 345 I N 2.644 123.118 120.570 -0.161 0.000 2.478 345 I HA 0.278 4.449 4.170 0.002 0.000 0.287 345 I C 0.893 176.777 176.117 -0.388 0.000 1.042 345 I CA -0.690 60.381 61.300 -0.382 0.000 1.067 345 I CB 1.993 39.724 38.000 -0.448 0.000 1.233 345 I HN 0.790 nan 8.210 nan 0.000 0.431 346 G N 4.190 112.783 108.800 -0.345 0.000 2.321 346 G HA2 -0.159 3.802 3.960 0.002 0.000 0.287 346 G HA3 -0.159 3.802 3.960 0.002 0.000 0.287 346 G C 1.033 175.991 174.900 0.098 0.000 1.018 346 G CA 0.781 45.882 45.100 0.002 0.000 0.855 346 G HN 1.576 nan 8.290 nan 0.000 0.507 347 G N -2.081 106.716 108.800 -0.004 0.000 2.199 347 G HA2 -0.241 3.720 3.960 0.002 0.000 0.254 347 G HA3 -0.241 3.720 3.960 0.002 0.000 0.254 347 G C 0.465 175.310 174.900 -0.091 0.000 0.982 347 G CA 0.530 45.627 45.100 -0.005 0.000 0.632 347 G HN 1.291 nan 8.290 nan 0.000 0.529 348 L N 0.676 121.787 121.223 -0.187 0.000 2.350 348 L HA 0.590 4.931 4.340 0.002 0.000 0.275 348 L C 0.308 176.935 176.870 -0.406 0.000 1.099 348 L CA -0.436 54.176 54.840 -0.380 0.000 0.808 348 L CB 1.137 42.867 42.059 -0.548 0.000 1.149 348 L HN 0.175 nan 8.230 nan 0.000 0.442 349 E N 2.712 122.603 120.200 -0.515 0.000 2.191 349 E HA 0.360 4.711 4.350 0.002 0.000 0.263 349 E C -1.507 174.769 176.600 -0.539 0.000 0.881 349 E CA -0.449 55.730 56.400 -0.367 0.000 0.757 349 E CB 1.773 31.358 29.700 -0.190 0.000 1.147 349 E HN 0.271 nan 8.360 nan 0.000 0.414 350 F N 2.010 121.932 119.950 -0.047 0.000 2.293 350 F HA 0.098 4.626 4.527 0.001 0.000 0.370 350 F C 1.550 177.387 175.800 0.062 0.000 1.090 350 F CA -0.485 57.514 58.000 -0.001 0.000 1.133 350 F CB 1.064 40.047 39.000 -0.029 0.000 1.360 350 F HN 0.426 nan 8.300 nan 0.000 0.489 351 S N 1.343 117.148 115.700 0.175 0.000 2.481 351 S HA 0.199 4.670 4.470 0.002 0.000 0.231 351 S C 0.838 175.571 174.600 0.221 0.000 0.996 351 S CA 0.334 58.634 58.200 0.166 0.000 0.942 351 S CB 0.044 63.320 63.200 0.126 0.000 0.768 351 S HN 0.485 nan 8.310 nan 0.000 0.520 352 A N 0.558 123.555 122.820 0.294 0.000 2.363 352 A HA 0.834 5.155 4.320 0.002 0.000 0.296 352 A C -0.156 177.676 177.584 0.413 0.000 1.237 352 A CA -0.209 52.038 52.037 0.349 0.000 0.773 352 A CB 0.892 20.099 19.000 0.345 0.000 1.153 352 A HN 0.989 nan 8.150 nan 0.000 0.473 353 A N 4.151 127.161 122.820 0.317 0.000 3.399 353 A HA 0.631 4.952 4.320 0.002 0.000 0.262 353 A C -3.113 174.613 177.584 0.236 0.000 1.145 353 A CA -0.920 51.256 52.037 0.232 0.000 0.916 353 A CB 0.382 19.523 19.000 0.235 0.000 1.360 353 A HN 0.486 nan 8.150 nan 0.000 0.628 354 P HA 0.472 nan 4.420 nan 0.000 0.271 354 P C -0.726 176.551 177.300 -0.037 0.000 1.216 354 P CA 0.359 63.411 63.100 -0.079 0.000 0.771 354 P CB 0.286 31.893 31.700 -0.155 0.000 0.864 355 F N -0.499 119.359 119.950 -0.153 0.000 2.588 355 F HA 0.795 5.323 4.527 0.001 0.000 0.314 355 F C -0.544 175.161 175.800 -0.159 0.000 1.069 355 F CA -1.164 56.756 58.000 -0.133 0.000 0.931 355 F CB 1.652 40.466 39.000 -0.310 0.000 1.260 355 F HN 0.379 nan 8.300 nan 0.000 0.465 356 S N 0.142 115.907 115.700 0.107 0.000 2.556 356 S HA 0.931 5.402 4.470 0.002 0.000 0.271 356 S C -0.729 173.834 174.600 -0.062 0.000 1.135 356 S CA -0.178 58.024 58.200 0.003 0.000 0.858 356 S CB 1.482 64.765 63.200 0.138 0.000 1.114 356 S HN 1.425 nan 8.310 nan 0.000 0.468 357 G N 0.168 108.884 108.800 -0.140 0.000 3.359 357 G HA2 0.759 4.720 3.960 0.002 0.000 0.187 357 G HA3 0.759 4.720 3.960 0.002 0.000 0.187 357 G C -1.376 173.526 174.900 0.004 0.000 1.294 357 G CA -0.338 44.615 45.100 -0.246 0.000 0.769 357 G HN 1.086 nan 8.290 nan 0.000 0.733 358 W N -1.931 119.368 121.300 -0.002 0.000 3.047 358 W HA 0.801 5.462 4.660 0.001 0.000 0.341 358 W C -1.802 174.707 176.519 -0.017 0.000 1.225 358 W CA -1.966 55.396 57.345 0.029 0.000 1.150 358 W CB 0.551 30.073 29.460 0.102 0.000 1.470 358 W HN 0.364 nan 8.180 nan 0.000 0.578 359 Y N 2.364 122.855 120.300 0.319 0.000 2.309 359 Y HA 0.336 4.886 4.550 0.002 0.000 0.327 359 Y C 0.820 176.786 175.900 0.109 0.000 1.172 359 Y CA -0.754 57.410 58.100 0.107 0.000 1.280 359 Y CB 1.379 39.809 38.460 -0.050 0.000 1.234 359 Y HN 0.393 nan 8.280 nan 0.000 0.512 360 M N 2.400 122.149 119.600 0.248 0.000 2.180 360 M HA 0.146 4.627 4.480 0.002 0.000 0.358 360 M C 1.050 177.371 176.300 0.034 0.000 1.233 360 M CA -0.022 55.361 55.300 0.139 0.000 1.114 360 M CB 0.892 33.547 32.600 0.091 0.000 1.594 360 M HN 0.839 nan 8.290 nan 0.000 0.467 361 S N 0.944 116.623 115.700 -0.035 0.000 2.419 361 S HA -0.136 4.335 4.470 0.002 0.000 0.233 361 S C 1.458 175.940 174.600 -0.198 0.000 1.016 361 S CA 1.588 59.686 58.200 -0.170 0.000 0.974 361 S CB -1.080 62.051 63.200 -0.114 0.000 0.786 361 S HN 0.911 nan 8.310 nan 0.000 0.492 362 T N -0.489 113.979 114.554 -0.144 0.000 2.995 362 T HA 0.045 4.396 4.350 0.002 0.000 0.269 362 T C 1.568 176.137 174.700 -0.218 0.000 1.091 362 T CA 1.180 63.147 62.100 -0.220 0.000 1.128 362 T CB -0.381 68.310 68.868 -0.295 0.000 0.891 362 T HN 0.425 nan 8.240 nan 0.000 0.492 363 E N 1.338 121.439 120.200 -0.165 0.000 2.106 363 E HA 0.007 4.358 4.350 0.002 0.000 0.192 363 E C 1.854 178.243 176.600 -0.352 0.000 0.984 363 E CA 0.964 57.279 56.400 -0.142 0.000 0.806 363 E CB -0.464 29.291 29.700 0.092 0.000 0.750 363 E HN 0.671 nan 8.360 nan 0.000 0.458 364 I N -0.786 119.433 120.570 -0.584 0.000 2.235 364 I HA -0.026 4.145 4.170 0.002 0.000 0.241 364 I C 2.369 178.127 176.117 -0.598 0.000 1.085 364 I CA 1.031 61.779 61.300 -0.921 0.000 1.378 364 I CB -0.558 36.775 38.000 -1.112 0.000 1.076 364 I HN 0.219 nan 8.210 nan 0.000 0.415 365 G N 0.019 108.581 108.800 -0.396 0.000 2.403 365 G HA2 -0.139 3.822 3.960 0.002 0.000 0.216 365 G HA3 -0.139 3.822 3.960 0.002 0.000 0.216 365 G C 1.626 176.417 174.900 -0.181 0.000 1.154 365 G CA 1.313 46.271 45.100 -0.237 0.000 0.784 365 G HN 0.287 nan 8.290 nan 0.000 0.538 366 T N 0.013 114.442 114.554 -0.208 0.000 2.980 366 T HA 0.101 4.452 4.350 0.002 0.000 0.239 366 T C 2.531 177.135 174.700 -0.159 0.000 1.011 366 T CA 0.220 62.221 62.100 -0.165 0.000 1.171 366 T CB 0.090 68.846 68.868 -0.188 0.000 0.873 366 T HN 0.000 nan 8.240 nan 0.000 0.431 367 R N 2.081 122.470 120.500 -0.185 0.000 2.055 367 R HA 0.166 4.507 4.340 0.002 0.000 0.228 367 R C 2.088 178.291 176.300 -0.162 0.000 1.143 367 R CA 1.067 57.074 56.100 -0.155 0.000 0.945 367 R CB -1.107 29.114 30.300 -0.133 0.000 0.841 367 R HN 0.325 nan 8.270 nan 0.000 0.429 368 N N 0.794 119.343 118.700 -0.251 0.000 2.216 368 N HA -0.024 4.717 4.740 0.002 0.000 0.183 368 N C 1.944 177.377 175.510 -0.128 0.000 1.017 368 N CA 0.841 53.749 53.050 -0.236 0.000 0.861 368 N CB -0.084 37.988 38.487 -0.692 0.000 0.986 368 N HN 0.165 nan 8.380 nan 0.000 0.428 369 L N -0.782 120.311 121.223 -0.217 0.000 2.307 369 L HA 0.076 4.417 4.340 0.002 0.000 0.211 369 L C 1.344 178.242 176.870 0.046 0.000 1.099 369 L CA 0.431 55.247 54.840 -0.040 0.000 0.816 369 L CB 0.216 42.226 42.059 -0.083 0.000 0.952 369 L HN 0.148 nan 8.230 nan 0.000 0.455 370 C N -1.673 117.618 119.300 -0.015 0.000 3.230 370 C HA 0.175 4.636 4.460 0.002 0.000 0.300 370 C C 0.685 175.673 174.990 -0.004 0.000 1.292 370 C CA -0.907 58.117 59.018 0.010 0.000 1.707 370 C CB -0.171 27.560 27.740 -0.014 0.000 2.181 370 C HN 0.296 nan 8.230 nan 0.000 0.655 371 D N 2.923 123.295 120.400 -0.046 0.000 2.506 371 D HA 0.020 4.661 4.640 0.002 0.000 0.234 371 D C -1.167 175.133 176.300 0.001 0.000 1.143 371 D CA -0.995 52.969 54.000 -0.060 0.000 0.871 371 D CB 0.614 41.254 40.800 -0.266 0.000 1.190 371 D HN 0.203 nan 8.370 nan 0.000 0.459 372 P HA -0.135 nan 4.420 nan 0.000 0.221 372 P C 0.645 178.044 177.300 0.165 0.000 1.150 372 P CA 1.227 64.411 63.100 0.140 0.000 0.800 372 P CB 0.006 31.795 31.700 0.149 0.000 0.787 373 H N -2.153 116.932 119.070 0.025 0.000 2.519 373 H HA 0.362 4.919 4.556 0.002 0.000 0.289 373 H C 0.921 176.265 175.328 0.026 0.000 1.040 373 H CA -0.285 55.775 56.048 0.021 0.000 1.165 373 H CB -0.085 29.690 29.762 0.022 0.000 1.462 373 H HN -0.028 nan 8.280 nan 0.000 0.555 374 R N -0.249 120.159 120.500 -0.153 0.000 2.845 374 R HA 0.182 4.523 4.340 0.002 0.000 0.112 374 R C 1.042 177.323 176.300 -0.031 0.000 1.012 374 R CA -0.710 55.332 56.100 -0.097 0.000 0.744 374 R CB -0.809 29.443 30.300 -0.081 0.000 0.926 374 R HN 0.087 nan 8.270 nan 0.000 0.376 375 Y N 1.576 121.894 120.300 0.030 0.000 2.421 375 Y HA -0.100 4.451 4.550 0.001 0.000 0.292 375 Y C 0.716 176.642 175.900 0.044 0.000 1.136 375 Y CA 1.149 59.284 58.100 0.057 0.000 1.255 375 Y CB -0.251 38.283 38.460 0.125 0.000 0.991 375 Y HN 0.478 nan 8.280 nan 0.000 0.552 376 N N 0.457 119.245 118.700 0.147 0.000 2.714 376 N HA -0.226 4.515 4.740 0.002 0.000 0.253 376 N C 0.311 175.899 175.510 0.130 0.000 1.024 376 N CA 0.861 53.976 53.050 0.109 0.000 0.726 376 N CB -1.443 37.092 38.487 0.081 0.000 0.908 376 N HN 0.660 nan 8.380 nan 0.000 0.542 377 I N -3.896 116.763 120.570 0.147 0.000 3.793 377 I HA 0.074 4.245 4.170 0.002 0.000 0.315 377 I C 1.460 177.666 176.117 0.148 0.000 1.275 377 I CA -0.429 60.956 61.300 0.142 0.000 1.214 377 I CB -0.055 38.032 38.000 0.145 0.000 1.018 377 I HN 0.012 nan 8.210 nan 0.000 0.439 378 L N 1.623 122.944 121.223 0.164 0.000 2.013 378 L HA -0.208 4.133 4.340 0.002 0.000 0.212 378 L C 2.590 179.654 176.870 0.324 0.000 1.073 378 L CA 1.929 56.901 54.840 0.219 0.000 0.753 378 L CB -1.194 40.971 42.059 0.176 0.000 0.890 378 L HN 0.470 nan 8.230 nan 0.000 0.432 379 E N -1.007 119.388 120.200 0.326 0.000 2.106 379 E HA -0.206 4.145 4.350 0.002 0.000 0.192 379 E C 1.718 178.347 176.600 0.047 0.000 0.984 379 E CA 0.979 57.506 56.400 0.211 0.000 0.806 379 E CB 0.129 29.895 29.700 0.110 0.000 0.750 379 E HN 0.490 nan 8.360 nan 0.000 0.458 380 D N -0.002 120.427 120.400 0.048 0.000 2.123 380 D HA -0.149 4.492 4.640 0.002 0.000 0.196 380 D C 1.993 178.270 176.300 -0.039 0.000 0.992 380 D CA 0.960 54.952 54.000 -0.013 0.000 0.833 380 D CB -0.002 40.800 40.800 0.005 0.000 0.954 380 D HN 0.109 nan 8.370 nan 0.000 0.455 381 V N 1.276 121.220 119.914 0.049 0.000 2.453 381 V HA -0.138 3.983 4.120 0.002 0.000 0.247 381 V C 2.504 178.644 176.094 0.076 0.000 1.048 381 V CA 1.457 63.816 62.300 0.098 0.000 1.049 381 V CB -0.554 31.425 31.823 0.260 0.000 0.672 381 V HN 0.149 nan 8.190 nan 0.000 0.457 382 A N -0.140 122.755 122.820 0.125 0.000 1.933 382 A HA -0.141 4.180 4.320 0.002 0.000 0.218 382 A C 2.383 179.930 177.584 -0.061 0.000 1.175 382 A CA 1.974 54.083 52.037 0.119 0.000 0.628 382 A CB -0.566 18.606 19.000 0.287 0.000 0.814 382 A HN 0.330 nan 8.150 nan 0.000 0.444 383 V N -0.838 118.990 119.914 -0.144 0.000 2.307 383 V HA -0.299 3.822 4.120 0.002 0.000 0.245 383 V C 2.621 178.540 176.094 -0.292 0.000 1.045 383 V CA 1.960 64.135 62.300 -0.208 0.000 1.024 383 V CB -1.068 30.637 31.823 -0.197 0.000 0.651 383 V HN 0.704 nan 8.190 nan 0.000 0.449 384 C N -0.237 118.804 119.300 -0.433 0.000 2.403 384 C HA -0.224 4.237 4.460 0.002 0.000 0.279 384 C C 2.665 177.160 174.990 -0.826 0.000 1.269 384 C CA 1.254 59.754 59.018 -0.862 0.000 1.774 384 C CB -1.122 25.732 27.740 -1.477 0.000 1.993 384 C HN 0.534 nan 8.230 nan 0.000 0.496 385 M N -0.304 119.069 119.600 -0.379 0.000 2.561 385 M HA 0.029 4.510 4.480 0.002 0.000 0.238 385 M C 0.655 176.929 176.300 -0.042 0.000 1.131 385 M CA 0.859 56.130 55.300 -0.050 0.000 1.046 385 M CB -0.286 32.394 32.600 0.134 0.000 1.532 385 M HN 0.254 nan 8.290 nan 0.000 0.497 386 D N 1.321 121.650 120.400 -0.119 0.000 2.800 386 D HA -0.146 4.495 4.640 0.002 0.000 0.232 386 D C -0.879 175.394 176.300 -0.045 0.000 1.137 386 D CA 0.509 54.457 54.000 -0.086 0.000 0.718 386 D CB -1.061 39.705 40.800 -0.057 0.000 1.084 386 D HN 0.303 nan 8.370 nan 0.000 0.432 387 L N -0.322 120.878 121.223 -0.039 0.000 2.416 387 L HA 0.406 4.747 4.340 0.002 0.000 0.262 387 L C 0.922 177.747 176.870 -0.076 0.000 1.093 387 L CA -0.818 54.023 54.840 0.002 0.000 0.801 387 L CB 0.640 42.761 42.059 0.104 0.000 1.191 387 L HN -0.027 nan 8.230 nan 0.000 0.459 388 D N 0.326 120.706 120.400 -0.034 0.000 2.422 388 D HA 0.014 4.655 4.640 0.002 0.000 0.227 388 D C 0.599 176.755 176.300 -0.240 0.000 1.190 388 D CA 0.097 54.040 54.000 -0.095 0.000 0.905 388 D CB 1.041 41.833 40.800 -0.014 0.000 1.034 388 D HN 0.466 nan 8.370 nan 0.000 0.507 389 T N 3.128 117.360 114.554 -0.538 0.000 3.219 389 T HA 0.089 4.440 4.350 0.002 0.000 0.249 389 T C 1.491 175.843 174.700 -0.581 0.000 1.099 389 T CA 0.242 61.612 62.100 -1.217 0.000 0.988 389 T CB -0.005 68.094 68.868 -1.281 0.000 0.999 389 T HN 0.343 nan 8.240 nan 0.000 0.550 390 R N -0.012 120.344 120.500 -0.240 0.000 2.173 390 R HA 0.178 4.519 4.340 0.002 0.000 0.208 390 R C 0.915 177.234 176.300 0.031 0.000 1.035 390 R CA 0.419 56.468 56.100 -0.085 0.000 1.004 390 R CB 0.201 30.462 30.300 -0.065 0.000 0.917 390 R HN 0.179 nan 8.270 nan 0.000 0.462 391 T N -0.650 113.965 114.554 0.102 0.000 2.900 391 T HA 0.120 4.471 4.350 0.002 0.000 0.295 391 T C 1.099 175.967 174.700 0.281 0.000 1.044 391 T CA -0.578 61.616 62.100 0.158 0.000 0.995 391 T CB 1.881 70.807 68.868 0.098 0.000 1.072 391 T HN 0.220 nan 8.240 nan 0.000 0.473 392 T N 0.754 115.435 114.554 0.211 0.000 2.803 392 T HA -0.117 4.234 4.350 0.002 0.000 0.269 392 T C 1.966 176.723 174.700 0.095 0.000 1.052 392 T CA 1.723 63.909 62.100 0.144 0.000 1.136 392 T CB -0.603 68.299 68.868 0.057 0.000 0.864 392 T HN 0.667 nan 8.240 nan 0.000 0.467 393 S N 1.751 117.511 115.700 0.100 0.000 2.603 393 S HA 0.033 4.504 4.470 0.002 0.000 0.220 393 S C 2.063 176.711 174.600 0.080 0.000 0.967 393 S CA 0.479 58.717 58.200 0.065 0.000 0.920 393 S CB -0.649 62.582 63.200 0.051 0.000 0.773 393 S HN 0.726 nan 8.310 nan 0.000 0.529 394 S N 1.891 117.674 115.700 0.139 0.000 2.515 394 S HA 0.180 4.651 4.470 0.002 0.000 0.231 394 S C 0.996 175.675 174.600 0.131 0.000 0.987 394 S CA 0.287 58.576 58.200 0.148 0.000 0.936 394 S CB -1.003 62.322 63.200 0.208 0.000 0.766 394 S HN 0.635 nan 8.310 nan 0.000 0.528 395 L N 0.673 121.941 121.223 0.075 0.000 3.717 395 L HA -0.166 4.175 4.340 0.002 0.000 0.411 395 L C 1.584 178.463 176.870 0.015 0.000 1.233 395 L CA 0.686 55.516 54.840 -0.017 0.000 0.917 395 L CB -2.508 39.552 42.059 0.002 0.000 1.902 395 L HN 0.749 nan 8.230 nan 0.000 0.894 396 W N 0.096 121.408 121.300 0.020 0.000 2.363 396 W HA -0.131 4.530 4.660 0.001 0.000 0.296 396 W C 1.708 178.245 176.519 0.030 0.000 1.212 396 W CA 1.300 58.659 57.345 0.024 0.000 1.260 396 W CB -0.708 28.762 29.460 0.016 0.000 1.131 396 W HN 0.278 nan 8.180 nan 0.000 0.530 397 K N 1.071 121.053 120.400 -0.696 0.000 2.057 397 K HA -0.162 4.158 4.320 0.002 0.000 0.207 397 K C 1.510 177.988 176.600 -0.203 0.000 1.049 397 K CA 2.352 58.288 56.287 -0.585 0.000 0.931 397 K CB -0.366 31.659 32.500 -0.791 0.000 0.714 397 K HN 0.073 nan 8.250 nan 0.000 0.440 398 D N 0.705 121.004 120.400 -0.168 0.000 2.117 398 D HA -0.107 4.534 4.640 0.002 0.000 0.198 398 D C 1.652 177.950 176.300 -0.004 0.000 0.982 398 D CA 1.150 55.103 54.000 -0.077 0.000 0.828 398 D CB 0.048 40.808 40.800 -0.066 0.000 0.967 398 D HN 0.126 nan 8.370 nan 0.000 0.464 399 K N 0.575 120.997 120.400 0.036 0.000 2.057 399 K HA 0.029 4.350 4.320 0.002 0.000 0.206 399 K C 2.172 178.842 176.600 0.117 0.000 1.050 399 K CA 1.109 57.446 56.287 0.084 0.000 0.935 399 K CB -0.104 32.465 32.500 0.114 0.000 0.715 399 K HN 0.073 nan 8.250 nan 0.000 0.439 400 A N 1.471 124.377 122.820 0.144 0.000 1.930 400 A HA -0.055 4.266 4.320 0.002 0.000 0.217 400 A C 2.359 180.034 177.584 0.152 0.000 1.175 400 A CA 1.652 53.806 52.037 0.195 0.000 0.627 400 A CB -0.625 18.524 19.000 0.249 0.000 0.815 400 A HN 0.314 nan 8.150 nan 0.000 0.443 401 A N -0.488 122.378 122.820 0.077 0.000 1.902 401 A HA 0.010 4.331 4.320 0.002 0.000 0.217 401 A C 2.208 179.815 177.584 0.038 0.000 1.181 401 A CA 1.719 53.778 52.037 0.038 0.000 0.623 401 A CB -0.879 18.106 19.000 -0.025 0.000 0.818 401 A HN 0.360 nan 8.150 nan 0.000 0.443 402 V N 0.424 120.367 119.914 0.047 0.000 2.343 402 V HA -0.213 3.908 4.120 0.002 0.000 0.247 402 V C 2.522 178.658 176.094 0.071 0.000 1.051 402 V CA 2.138 64.470 62.300 0.053 0.000 1.036 402 V CB -0.695 31.165 31.823 0.062 0.000 0.654 402 V HN 0.520 nan 8.190 nan 0.000 0.451 403 E N -0.145 120.125 120.200 0.116 0.000 2.150 403 E HA -0.116 4.235 4.350 0.002 0.000 0.193 403 E C 2.116 178.770 176.600 0.089 0.000 0.985 403 E CA 1.092 57.589 56.400 0.161 0.000 0.814 403 E CB -0.253 29.554 29.700 0.179 0.000 0.752 403 E HN 0.589 nan 8.360 nan 0.000 0.466 404 I N 1.231 121.878 120.570 0.128 0.000 2.202 404 I HA -0.279 3.892 4.170 0.002 0.000 0.242 404 I C 1.762 177.871 176.117 -0.014 0.000 1.091 404 I CA 1.042 62.419 61.300 0.127 0.000 1.368 404 I CB -0.300 37.831 38.000 0.218 0.000 1.058 404 I HN 0.042 nan 8.210 nan 0.000 0.410 405 N N 0.697 119.383 118.700 -0.023 0.000 2.166 405 N HA -0.196 4.545 4.740 0.002 0.000 0.186 405 N C 1.703 177.171 175.510 -0.070 0.000 1.019 405 N CA 0.982 53.996 53.050 -0.059 0.000 0.856 405 N CB -0.210 38.252 38.487 -0.041 0.000 0.993 405 N HN 0.158 nan 8.380 nan 0.000 0.426 406 L N 0.517 121.692 121.223 -0.081 0.000 2.083 406 L HA -0.017 4.324 4.340 0.002 0.000 0.209 406 L C 2.013 178.734 176.870 -0.248 0.000 1.083 406 L CA 1.283 56.032 54.840 -0.151 0.000 0.752 406 L CB -0.643 41.295 42.059 -0.201 0.000 0.899 406 L HN 0.161 nan 8.230 nan 0.000 0.433 407 A N -1.339 121.280 122.820 -0.334 0.000 1.933 407 A HA -0.149 4.172 4.320 0.002 0.000 0.218 407 A C 2.252 179.763 177.584 -0.121 0.000 1.175 407 A CA 1.908 53.709 52.037 -0.395 0.000 0.628 407 A CB -1.000 17.474 19.000 -0.876 0.000 0.814 407 A HN 0.283 nan 8.150 nan 0.000 0.444 408 V N -0.017 119.845 119.914 -0.087 0.000 2.295 408 V HA -0.261 3.860 4.120 0.002 0.000 0.246 408 V C 2.577 178.683 176.094 0.021 0.000 1.049 408 V CA 2.005 64.293 62.300 -0.019 0.000 1.024 408 V CB -0.788 30.944 31.823 -0.152 0.000 0.648 408 V HN 0.571 nan 8.190 nan 0.000 0.447 409 L N -0.424 120.780 121.223 -0.031 0.000 2.012 409 L HA -0.242 4.099 4.340 0.002 0.000 0.210 409 L C 2.639 179.542 176.870 0.054 0.000 1.073 409 L CA 2.298 57.139 54.840 0.002 0.000 0.748 409 L CB -0.863 41.189 42.059 -0.012 0.000 0.891 409 L HN 0.492 nan 8.230 nan 0.000 0.431 410 H N -0.528 118.496 119.070 -0.077 0.000 2.352 410 H HA -0.145 4.412 4.556 0.002 0.000 0.299 410 H C 2.279 177.592 175.328 -0.025 0.000 1.097 410 H CA 2.011 58.007 56.048 -0.087 0.000 1.311 410 H CB 0.047 29.695 29.762 -0.191 0.000 1.377 410 H HN 0.171 nan 8.280 nan 0.000 0.504 411 S N -0.634 115.028 115.700 -0.064 0.000 2.357 411 S HA -0.057 4.414 4.470 0.002 0.000 0.221 411 S C 1.951 176.526 174.600 -0.041 0.000 1.031 411 S CA 1.010 59.151 58.200 -0.099 0.000 0.982 411 S CB -0.423 62.815 63.200 0.064 0.000 0.853 411 S HN 0.386 nan 8.310 nan 0.000 0.458 412 F N 1.997 121.890 119.950 -0.095 0.000 2.171 412 F HA -0.139 4.389 4.527 0.002 0.000 0.300 412 F C 2.769 178.518 175.800 -0.085 0.000 1.090 412 F CA 1.095 59.061 58.000 -0.058 0.000 1.293 412 F CB -0.271 38.720 39.000 -0.015 0.000 1.013 412 F HN 0.197 nan 8.300 nan 0.000 0.486 413 Q N -0.214 119.624 119.800 0.063 0.000 2.084 413 Q HA -0.236 4.105 4.340 0.002 0.000 0.202 413 Q C 2.172 178.116 176.000 -0.094 0.000 0.978 413 Q CA 1.602 57.392 55.803 -0.020 0.000 0.844 413 Q CB -0.382 28.337 28.738 -0.031 0.000 0.898 413 Q HN 0.381 nan 8.270 nan 0.000 0.426 414 L N 0.329 121.439 121.223 -0.188 0.000 2.017 414 L HA -0.118 4.223 4.340 0.002 0.000 0.208 414 L C 1.994 178.777 176.870 -0.146 0.000 1.073 414 L CA 2.131 56.842 54.840 -0.215 0.000 0.745 414 L CB -0.591 41.252 42.059 -0.361 0.000 0.894 414 L HN 0.124 nan 8.230 nan 0.000 0.432 415 A N -1.421 121.307 122.820 -0.153 0.000 2.209 415 A HA -0.039 4.282 4.320 0.002 0.000 0.212 415 A C 0.875 178.392 177.584 -0.111 0.000 1.158 415 A CA 0.412 52.362 52.037 -0.146 0.000 0.742 415 A CB -0.368 18.500 19.000 -0.220 0.000 0.790 415 A HN 0.475 nan 8.150 nan 0.000 0.472 416 K N -1.088 119.261 120.400 -0.086 0.000 3.150 416 K HA -0.126 4.195 4.320 0.002 0.000 0.267 416 K C -0.745 175.825 176.600 -0.050 0.000 1.028 416 K CA 0.793 57.044 56.287 -0.060 0.000 0.753 416 K CB -2.491 29.974 32.500 -0.058 0.000 1.288 416 K HN 0.286 nan 8.250 nan 0.000 0.473 417 V N 0.998 120.895 119.914 -0.028 0.000 2.495 417 V HA 0.185 4.306 4.120 0.002 0.000 0.298 417 V C 0.801 176.983 176.094 0.146 0.000 1.031 417 V CA -0.718 61.600 62.300 0.029 0.000 0.871 417 V CB 2.063 33.846 31.823 -0.066 0.000 0.988 417 V HN 0.297 nan 8.190 nan 0.000 0.432 418 T N 6.094 120.692 114.554 0.074 0.000 2.866 418 T HA 0.333 4.684 4.350 0.002 0.000 0.293 418 T C -0.273 174.512 174.700 0.143 0.000 1.005 418 T CA 1.061 63.135 62.100 -0.044 0.000 1.162 418 T CB -0.132 68.570 68.868 -0.278 0.000 0.968 418 T HN 0.551 nan 8.240 nan 0.000 0.530 419 I N 2.811 123.404 120.570 0.039 0.000 2.984 419 I HA 0.663 4.834 4.170 0.002 0.000 0.303 419 I C -1.582 174.582 176.117 0.078 0.000 1.381 419 I CA -0.902 60.454 61.300 0.093 0.000 0.988 419 I CB 2.009 39.985 38.000 -0.041 0.000 1.307 419 I HN 0.437 nan 8.210 nan 0.000 0.460 420 V N 4.975 124.990 119.914 0.168 0.000 2.709 420 V HA 0.550 4.671 4.120 0.002 0.000 0.308 420 V C -1.275 174.885 176.094 0.109 0.000 1.062 420 V CA -0.250 62.149 62.300 0.164 0.000 0.901 420 V CB 2.115 34.121 31.823 0.305 0.000 1.003 420 V HN 0.896 nan 8.190 nan 0.000 0.425 421 D N 3.916 124.359 120.400 0.072 0.000 2.383 421 D HA 0.227 4.868 4.640 0.002 0.000 0.248 421 D C 1.197 177.518 176.300 0.034 0.000 1.170 421 D CA 0.125 54.159 54.000 0.056 0.000 0.977 421 D CB 0.503 41.315 40.800 0.020 0.000 1.120 421 D HN 0.726 nan 8.370 nan 0.000 0.481 422 H N -0.469 118.539 119.070 -0.104 0.000 2.495 422 H HA -0.091 4.466 4.556 0.002 0.000 0.287 422 H C 0.925 176.138 175.328 -0.192 0.000 1.033 422 H CA 1.113 57.060 56.048 -0.168 0.000 1.307 422 H CB -0.505 29.100 29.762 -0.262 0.000 1.401 422 H HN 0.505 nan 8.280 nan 0.000 0.555 423 H N 1.256 120.113 119.070 -0.355 0.000 2.307 423 H HA 0.135 4.692 4.556 0.001 0.000 0.303 423 H C 2.521 177.821 175.328 -0.046 0.000 1.073 423 H CA 1.310 57.245 56.048 -0.189 0.000 1.338 423 H CB -0.320 29.303 29.762 -0.232 0.000 1.389 423 H HN 0.488 nan 8.280 nan 0.000 0.503 424 A N 1.530 124.403 122.820 0.089 0.000 1.908 424 A HA -0.149 4.172 4.320 0.002 0.000 0.218 424 A C 2.701 180.353 177.584 0.113 0.000 1.181 424 A CA 2.029 54.121 52.037 0.092 0.000 0.627 424 A CB -0.895 18.153 19.000 0.080 0.000 0.818 424 A HN 0.446 nan 8.150 nan 0.000 0.445 425 A N -0.415 122.473 122.820 0.113 0.000 1.902 425 A HA -0.093 4.228 4.320 0.002 0.000 0.217 425 A C 2.424 180.101 177.584 0.156 0.000 1.181 425 A CA 2.521 54.642 52.037 0.141 0.000 0.623 425 A CB -1.342 17.732 19.000 0.123 0.000 0.818 425 A HN 0.770 nan 8.150 nan 0.000 0.443 426 T N -2.876 111.752 114.554 0.123 0.000 2.904 426 T HA -0.037 4.314 4.350 0.002 0.000 0.267 426 T C 1.678 176.500 174.700 0.203 0.000 1.059 426 T CA 1.174 63.371 62.100 0.162 0.000 1.137 426 T CB -0.609 68.321 68.868 0.103 0.000 0.879 426 T HN 0.039 nan 8.240 nan 0.000 0.467 427 V N 2.040 122.049 119.914 0.159 0.000 2.287 427 V HA -0.189 3.932 4.120 0.002 0.000 0.248 427 V C 3.035 179.215 176.094 0.144 0.000 1.053 427 V CA 2.220 64.605 62.300 0.140 0.000 1.027 427 V CB -0.914 30.974 31.823 0.109 0.000 0.646 427 V HN 0.540 nan 8.190 nan 0.000 0.447 428 S N -0.536 115.258 115.700 0.156 0.000 2.383 428 S HA -0.161 4.310 4.470 0.002 0.000 0.227 428 S C 1.759 176.474 174.600 0.192 0.000 1.026 428 S CA 1.525 59.817 58.200 0.154 0.000 0.981 428 S CB -0.451 62.844 63.200 0.159 0.000 0.818 428 S HN 0.586 nan 8.310 nan 0.000 0.472 429 F N 2.397 122.407 119.950 0.099 0.000 2.171 429 F HA -0.095 4.433 4.527 0.002 0.000 0.300 429 F C 2.083 177.968 175.800 0.141 0.000 1.090 429 F CA 1.170 59.242 58.000 0.121 0.000 1.293 429 F CB -0.288 38.764 39.000 0.086 0.000 1.013 429 F HN 0.083 nan 8.300 nan 0.000 0.486 430 M N 0.026 119.708 119.600 0.137 0.000 2.159 430 M HA -0.185 4.295 4.480 0.002 0.000 0.263 430 M C 2.161 178.441 176.300 -0.033 0.000 1.063 430 M CA 1.472 56.795 55.300 0.039 0.000 1.110 430 M CB -1.206 31.457 32.600 0.106 0.000 1.374 430 M HN 0.077 nan 8.290 nan 0.000 0.411 431 K N -0.265 120.141 120.400 0.011 0.000 2.057 431 K HA -0.189 4.132 4.320 0.002 0.000 0.206 431 K C 1.986 178.568 176.600 -0.029 0.000 1.050 431 K CA 1.721 58.010 56.287 0.004 0.000 0.935 431 K CB -0.639 31.887 32.500 0.043 0.000 0.715 431 K HN 0.372 nan 8.250 nan 0.000 0.439 432 H N 0.083 119.065 119.070 -0.146 0.000 2.352 432 H HA -0.034 4.523 4.556 0.001 0.000 0.299 432 H C 1.705 176.863 175.328 -0.283 0.000 1.097 432 H CA 2.284 58.212 56.048 -0.200 0.000 1.311 432 H CB -0.217 29.390 29.762 -0.258 0.000 1.377 432 H HN 0.173 nan 8.280 nan 0.000 0.504 433 L N -0.273 120.653 121.223 -0.495 0.000 2.079 433 L HA -0.170 4.170 4.340 0.002 0.000 0.210 433 L C 2.302 179.012 176.870 -0.266 0.000 1.081 433 L CA 1.771 56.349 54.840 -0.437 0.000 0.752 433 L CB -0.445 41.430 42.059 -0.307 0.000 0.896 433 L HN 0.387 nan 8.230 nan 0.000 0.433 434 D N -0.100 120.195 120.400 -0.176 0.000 2.117 434 D HA -0.180 4.461 4.640 0.002 0.000 0.198 434 D C 1.926 178.158 176.300 -0.114 0.000 0.982 434 D CA 1.083 55.018 54.000 -0.109 0.000 0.828 434 D CB 0.058 40.822 40.800 -0.061 0.000 0.967 434 D HN 0.127 nan 8.370 nan 0.000 0.464 435 N N 0.547 119.171 118.700 -0.127 0.000 2.094 435 N HA -0.149 4.592 4.740 0.002 0.000 0.191 435 N C 1.573 177.006 175.510 -0.129 0.000 1.023 435 N CA 0.954 53.946 53.050 -0.096 0.000 0.857 435 N CB -0.243 38.212 38.487 -0.054 0.000 1.013 435 N HN 0.356 nan 8.380 nan 0.000 0.426 436 E N 0.372 120.416 120.200 -0.259 0.000 2.158 436 E HA -0.115 4.236 4.350 0.002 0.000 0.191 436 E C 1.872 178.385 176.600 -0.146 0.000 0.982 436 E CA 0.376 56.627 56.400 -0.249 0.000 0.823 436 E CB -0.098 29.339 29.700 -0.439 0.000 0.766 436 E HN 0.350 nan 8.360 nan 0.000 0.468 437 Q N 1.633 121.354 119.800 -0.132 0.000 2.084 437 Q HA -0.131 4.210 4.340 0.002 0.000 0.202 437 Q C 1.809 177.776 176.000 -0.055 0.000 0.978 437 Q CA 1.668 57.426 55.803 -0.076 0.000 0.844 437 Q CB 0.060 28.760 28.738 -0.063 0.000 0.898 437 Q HN 0.106 nan 8.270 nan 0.000 0.426 438 K N -0.676 119.692 120.400 -0.054 0.000 2.025 438 K HA -0.038 4.283 4.320 0.002 0.000 0.207 438 K C 2.071 178.653 176.600 -0.031 0.000 1.049 438 K CA 1.152 57.416 56.287 -0.037 0.000 0.933 438 K CB -0.251 32.230 32.500 -0.030 0.000 0.714 438 K HN 0.259 nan 8.250 nan 0.000 0.438 439 A N 1.361 124.162 122.820 -0.031 0.000 1.897 439 A HA -0.088 4.233 4.320 0.002 0.000 0.215 439 A C 1.738 179.310 177.584 -0.020 0.000 1.181 439 A CA 1.215 53.245 52.037 -0.011 0.000 0.620 439 A CB -0.056 18.952 19.000 0.013 0.000 0.821 439 A HN 0.207 nan 8.150 nan 0.000 0.443 440 R N -2.553 117.923 120.500 -0.039 0.000 2.541 440 R HA 0.292 4.633 4.340 0.002 0.000 0.332 440 R C 0.795 177.075 176.300 -0.033 0.000 0.951 440 R CA 0.480 56.561 56.100 -0.032 0.000 1.136 440 R CB 0.651 30.929 30.300 -0.037 0.000 1.449 440 R HN 0.705 nan 8.270 nan 0.000 0.531 441 G N 0.886 109.661 108.800 -0.040 0.000 2.137 441 G HA2 -0.162 3.799 3.960 0.002 0.000 0.237 441 G HA3 -0.162 3.799 3.960 0.002 0.000 0.237 441 G C 0.210 175.100 174.900 -0.016 0.000 1.002 441 G CA -0.025 45.049 45.100 -0.043 0.000 0.702 441 G HN 0.738 nan 8.290 nan 0.000 0.515 442 G N -2.377 106.419 108.800 -0.007 0.000 2.336 442 G HA2 0.546 4.507 3.960 0.002 0.000 0.300 442 G HA3 0.546 4.507 3.960 0.002 0.000 0.300 442 G C -0.817 174.103 174.900 0.034 0.000 1.375 442 G CA 0.388 45.516 45.100 0.047 0.000 0.885 442 G HN 1.962 nan 8.290 nan 0.000 0.599 443 C N 1.942 121.288 119.300 0.077 0.000 2.716 443 C HA 0.772 5.233 4.460 0.002 0.000 0.366 443 C C -2.582 172.393 174.990 -0.024 0.000 1.073 443 C CA -1.246 57.767 59.018 -0.009 0.000 1.260 443 C CB 1.358 29.027 27.740 -0.119 0.000 1.755 443 C HN 0.714 nan 8.230 nan 0.000 0.475 444 P HA 0.460 nan 4.420 nan 0.000 0.276 444 P C -0.742 176.462 177.300 -0.161 0.000 1.235 444 P CA 0.449 63.188 63.100 -0.601 0.000 0.772 444 P CB 1.236 32.304 31.700 -1.053 0.000 0.871 445 A N 2.345 125.137 122.820 -0.048 0.000 2.517 445 A HA 0.430 4.751 4.320 0.002 0.000 0.297 445 A C -1.288 176.359 177.584 0.105 0.000 1.050 445 A CA -0.519 51.583 52.037 0.108 0.000 0.694 445 A CB 1.279 20.459 19.000 0.301 0.000 1.277 445 A HN 0.422 nan 8.150 nan 0.000 0.400 446 D N 1.883 122.339 120.400 0.093 0.000 2.473 446 D HA 0.178 4.819 4.640 0.002 0.000 0.226 446 D C 0.840 177.290 176.300 0.250 0.000 1.089 446 D CA -0.477 53.616 54.000 0.156 0.000 0.883 446 D CB 0.380 41.224 40.800 0.073 0.000 1.029 446 D HN 0.602 nan 8.370 nan 0.000 0.517 447 W N 4.251 125.599 121.300 0.080 0.000 2.304 447 W HA -0.319 4.342 4.660 0.002 0.000 0.315 447 W C 1.864 178.411 176.519 0.047 0.000 1.233 447 W CA 2.338 59.707 57.345 0.040 0.000 1.261 447 W CB 0.080 29.538 29.460 -0.004 0.000 1.150 447 W HN 0.538 nan 8.180 nan 0.000 0.494 448 A N -1.347 121.748 122.820 0.459 0.000 2.019 448 A HA -0.176 4.145 4.320 0.002 0.000 0.219 448 A C 1.428 179.026 177.584 0.022 0.000 1.164 448 A CA 1.563 53.772 52.037 0.287 0.000 0.644 448 A CB -1.195 17.990 19.000 0.308 0.000 0.805 448 A HN 0.549 nan 8.150 nan 0.000 0.449 449 W N -0.980 120.299 121.300 -0.034 0.000 2.762 449 W HA 0.211 4.872 4.660 0.002 0.000 0.265 449 W C 1.794 178.206 176.519 -0.179 0.000 1.263 449 W CA -0.141 57.159 57.345 -0.076 0.000 1.411 449 W CB -0.008 29.433 29.460 -0.033 0.000 1.065 449 W HN 0.120 nan 8.180 nan 0.000 0.609 450 I N -0.059 120.477 120.570 -0.057 0.000 2.353 450 I HA -0.064 4.106 4.170 0.002 0.000 0.248 450 I C 0.692 176.607 176.117 -0.336 0.000 1.119 450 I CA 0.776 61.903 61.300 -0.288 0.000 1.417 450 I CB -1.487 36.258 38.000 -0.424 0.000 1.078 450 I HN -0.398 nan 8.210 nan 0.000 0.421 451 V N 4.272 123.909 119.914 -0.462 0.000 2.521 451 V HA 0.096 4.217 4.120 0.002 0.000 0.286 451 V C -1.827 174.093 176.094 -0.291 0.000 1.034 451 V CA -1.078 60.940 62.300 -0.470 0.000 1.045 451 V CB 0.226 31.528 31.823 -0.868 0.000 0.974 451 V HN 0.125 nan 8.190 nan 0.000 0.480 452 P HA 0.169 nan 4.420 nan 0.000 0.270 452 P C -1.993 175.183 177.300 -0.207 0.000 1.223 452 P CA -1.425 61.556 63.100 -0.198 0.000 0.785 452 P CB -0.021 31.562 31.700 -0.194 0.000 0.923 453 P HA 0.068 nan 4.420 nan 0.000 0.241 453 P C 0.196 177.386 177.300 -0.183 0.000 1.191 453 P CA 0.857 63.842 63.100 -0.192 0.000 0.771 453 P CB 0.129 31.712 31.700 -0.196 0.000 0.929 454 I N -6.227 114.199 120.570 -0.241 0.000 2.828 454 I HA 0.498 4.669 4.170 0.002 0.000 0.302 454 I C -0.039 175.967 176.117 -0.185 0.000 1.101 454 I CA -1.179 59.996 61.300 -0.208 0.000 1.031 454 I CB 2.062 39.922 38.000 -0.233 0.000 1.231 454 I HN -0.394 nan 8.210 nan 0.000 0.427 455 S N 2.323 117.974 115.700 -0.082 0.000 3.561 455 S HA -0.187 4.284 4.470 0.002 0.000 0.318 455 S C 1.392 175.978 174.600 -0.023 0.000 1.181 455 S CA 0.860 59.058 58.200 -0.003 0.000 0.916 455 S CB -1.678 61.608 63.200 0.145 0.000 0.966 455 S HN 1.290 nan 8.310 nan 0.000 0.550 456 G N 2.165 110.925 108.800 -0.067 0.000 2.681 456 G HA2 -0.357 3.604 3.960 0.002 0.000 0.220 456 G HA3 -0.357 3.604 3.960 0.002 0.000 0.220 456 G C 1.396 176.190 174.900 -0.177 0.000 1.210 456 G CA 1.745 46.820 45.100 -0.042 0.000 0.783 456 G HN 1.374 nan 8.290 nan 0.000 0.609 457 S N -0.293 115.039 115.700 -0.614 0.000 2.603 457 S HA 0.213 4.684 4.470 0.002 0.000 0.220 457 S C 1.843 176.353 174.600 -0.149 0.000 0.967 457 S CA 0.322 57.959 58.200 -0.938 0.000 0.920 457 S CB 0.108 62.550 63.200 -1.263 0.000 0.773 457 S HN 0.058 nan 8.310 nan 0.000 0.529 458 L N 2.650 123.852 121.223 -0.035 0.000 2.554 458 L HA 0.248 4.588 4.340 0.002 0.000 0.226 458 L C 1.355 178.346 176.870 0.201 0.000 1.137 458 L CA 0.649 55.556 54.840 0.112 0.000 0.863 458 L CB -1.026 41.136 42.059 0.170 0.000 0.985 458 L HN 0.596 nan 8.230 nan 0.000 0.451 459 T N -4.429 110.228 114.554 0.172 0.000 2.945 459 T HA 0.387 4.738 4.350 0.002 0.000 0.286 459 T C -1.758 173.095 174.700 0.254 0.000 1.025 459 T CA -1.827 60.395 62.100 0.203 0.000 1.039 459 T CB 1.908 70.847 68.868 0.119 0.000 1.068 459 T HN -0.150 nan 8.240 nan 0.000 0.497 460 P HA -0.015 nan 4.420 nan 0.000 0.225 460 P C 1.726 179.205 177.300 0.298 0.000 1.156 460 P CA 0.676 63.956 63.100 0.301 0.000 0.787 460 P CB -0.302 31.528 31.700 0.216 0.000 0.802 461 V N -4.071 115.967 119.914 0.207 0.000 2.809 461 V HA -0.139 3.982 4.120 0.002 0.000 0.256 461 V C 2.323 178.472 176.094 0.091 0.000 1.080 461 V CA 0.886 63.279 62.300 0.154 0.000 1.102 461 V CB -2.156 29.693 31.823 0.045 0.000 0.705 461 V HN -0.116 nan 8.190 nan 0.000 0.475 462 F N 1.590 121.470 119.950 -0.117 0.000 2.171 462 F HA -0.148 4.379 4.527 0.001 0.000 0.300 462 F C 2.445 178.297 175.800 0.086 0.000 1.090 462 F CA 2.107 60.012 58.000 -0.158 0.000 1.293 462 F CB -0.166 38.633 39.000 -0.337 0.000 1.013 462 F HN 0.257 nan 8.300 nan 0.000 0.486 463 H N -0.775 118.628 119.070 0.555 0.000 2.533 463 H HA 0.098 4.655 4.556 0.001 0.000 0.271 463 H C 0.196 175.789 175.328 0.442 0.000 1.000 463 H CA 0.246 56.592 56.048 0.495 0.000 1.149 463 H CB -0.213 29.797 29.762 0.412 0.000 1.375 463 H HN 0.266 nan 8.280 nan 0.000 0.582 464 Q N 1.923 121.998 119.800 0.458 0.000 2.347 464 Q HA 0.164 4.505 4.340 0.002 0.000 0.262 464 Q C -0.620 175.621 176.000 0.401 0.000 0.980 464 Q CA -0.448 55.579 55.803 0.373 0.000 0.867 464 Q CB 0.772 29.691 28.738 0.301 0.000 1.242 464 Q HN 0.234 nan 8.270 nan 0.000 0.453 465 E N 3.436 123.831 120.200 0.324 0.000 2.398 465 E HA 0.236 4.587 4.350 0.002 0.000 0.263 465 E C -0.437 176.310 176.600 0.245 0.000 1.046 465 E CA 0.345 56.896 56.400 0.252 0.000 0.908 465 E CB 0.814 30.631 29.700 0.196 0.000 0.963 465 E HN 0.594 nan 8.360 nan 0.000 0.431 466 M N 1.293 121.040 119.600 0.245 0.000 2.619 466 M HA 0.416 4.897 4.480 0.002 0.000 0.297 466 M C -1.220 175.200 176.300 0.199 0.000 1.229 466 M CA -1.050 54.397 55.300 0.245 0.000 0.860 466 M CB 2.419 35.213 32.600 0.323 0.000 1.741 466 M HN 0.165 nan 8.290 nan 0.000 0.462 467 V N 1.674 121.717 119.914 0.215 0.000 2.448 467 V HA 0.464 4.585 4.120 0.002 0.000 0.295 467 V C -0.756 175.491 176.094 0.255 0.000 1.025 467 V CA -0.782 61.672 62.300 0.257 0.000 0.859 467 V CB 1.685 33.705 31.823 0.329 0.000 0.988 467 V HN 0.790 nan 8.190 nan 0.000 0.431 468 N N 3.813 122.647 118.700 0.223 0.000 2.399 468 N HA 0.694 5.435 4.740 0.002 0.000 0.295 468 N C -1.187 174.453 175.510 0.216 0.000 1.048 468 N CA -0.351 52.755 53.050 0.093 0.000 0.886 468 N CB 1.337 39.871 38.487 0.079 0.000 1.185 468 N HN 0.686 nan 8.380 nan 0.000 0.487 469 Y N -0.066 120.257 120.300 0.039 0.000 2.702 469 Y HA 0.521 5.072 4.550 0.001 0.000 0.336 469 Y C -1.310 174.596 175.900 0.010 0.000 1.203 469 Y CA -1.218 56.898 58.100 0.027 0.000 1.072 469 Y CB 0.686 39.166 38.460 0.034 0.000 1.327 469 Y HN 0.205 nan 8.280 nan 0.000 0.456 470 I N 3.409 124.075 120.570 0.160 0.000 2.312 470 I HA 0.405 4.576 4.170 0.002 0.000 0.290 470 I C -0.723 175.458 176.117 0.106 0.000 1.008 470 I CA -0.400 60.934 61.300 0.057 0.000 1.226 470 I CB 1.000 39.020 38.000 0.034 0.000 1.371 470 I HN 0.416 nan 8.210 nan 0.000 0.468 471 L N 4.912 126.164 121.223 0.048 0.000 2.331 471 L HA 0.555 4.896 4.340 0.002 0.000 0.275 471 L C 0.116 176.980 176.870 -0.010 0.000 1.022 471 L CA -0.537 54.336 54.840 0.055 0.000 0.812 471 L CB 1.946 44.038 42.059 0.054 0.000 1.257 471 L HN 0.504 nan 8.230 nan 0.000 0.435 472 S N 1.671 117.375 115.700 0.006 0.000 2.501 472 S HA 0.598 5.069 4.470 0.002 0.000 0.301 472 S C -2.505 172.093 174.600 -0.004 0.000 1.096 472 S CA -1.456 56.730 58.200 -0.024 0.000 1.063 472 S CB 1.651 64.852 63.200 0.001 0.000 1.042 472 S HN 0.246 nan 8.310 nan 0.000 0.494 473 P HA 0.356 nan 4.420 nan 0.000 0.267 473 P C -1.452 175.703 177.300 -0.242 0.000 1.200 473 P CA -0.056 62.929 63.100 -0.191 0.000 0.772 473 P CB 0.570 32.108 31.700 -0.271 0.000 0.855 474 A N 2.176 124.819 122.820 -0.295 0.000 2.515 474 A HA 0.683 5.003 4.320 0.002 0.000 0.298 474 A C -1.347 175.996 177.584 -0.401 0.000 1.059 474 A CA -0.545 51.321 52.037 -0.285 0.000 0.698 474 A CB 0.815 19.724 19.000 -0.151 0.000 1.289 474 A HN 0.354 nan 8.150 nan 0.000 0.404 475 F N 1.066 120.913 119.950 -0.171 0.000 2.404 475 F HA 0.642 5.170 4.527 0.001 0.000 0.345 475 F C 0.933 176.603 175.800 -0.216 0.000 1.110 475 F CA 0.232 58.122 58.000 -0.183 0.000 1.130 475 F CB 1.595 40.444 39.000 -0.252 0.000 1.129 475 F HN 0.551 nan 8.300 nan 0.000 0.500 476 R N 1.653 122.152 120.500 -0.002 0.000 2.795 476 R HA 0.472 4.813 4.340 0.002 0.000 0.275 476 R C -1.505 174.711 176.300 -0.140 0.000 0.981 476 R CA -1.087 54.937 56.100 -0.127 0.000 0.917 476 R CB 1.429 31.700 30.300 -0.047 0.000 1.202 476 R HN 0.395 nan 8.270 nan 0.000 0.469 477 Y N 1.223 121.538 120.300 0.025 0.000 2.357 477 Y HA 0.177 4.728 4.550 0.002 0.000 0.340 477 Y C 0.643 176.540 175.900 -0.005 0.000 1.260 477 Y CA 0.017 58.122 58.100 0.010 0.000 1.425 477 Y CB 0.716 39.168 38.460 -0.012 0.000 1.326 477 Y HN 0.468 nan 8.280 nan 0.000 0.580 478 Q N 0.683 120.579 119.800 0.161 0.000 2.462 478 Q HA 0.606 4.947 4.340 0.002 0.000 0.285 478 Q C -3.184 172.793 176.000 -0.039 0.000 1.035 478 Q CA -2.494 53.334 55.803 0.043 0.000 0.799 478 Q CB 2.124 30.878 28.738 0.027 0.000 1.452 478 Q HN 0.247 nan 8.270 nan 0.000 0.404 479 P HA 0.082 nan 4.420 nan 0.000 0.269 479 P C -0.918 176.190 177.300 -0.320 0.000 1.209 479 P CA 0.033 63.018 63.100 -0.192 0.000 0.776 479 P CB 0.395 31.993 31.700 -0.170 0.000 0.876 480 D N 3.567 123.649 120.400 -0.529 0.000 2.414 480 D HA 0.020 4.661 4.640 0.002 0.000 0.242 480 D C -1.198 174.552 176.300 -0.917 0.000 1.129 480 D CA -0.915 52.521 54.000 -0.941 0.000 0.885 480 D CB 0.302 40.066 40.800 -1.727 0.000 1.198 480 D HN 0.273 nan 8.370 nan 0.000 0.437 481 P HA -0.002 nan 4.420 nan 0.000 0.233 481 P C 0.073 177.032 177.300 -0.569 0.000 1.167 481 P CA 0.531 63.248 63.100 -0.637 0.000 0.770 481 P CB 0.058 31.329 31.700 -0.716 0.000 0.837 482 W N 0.000 120.894 121.300 -0.677 0.000 2.388 482 W HA 0.000 4.661 4.660 0.001 0.000 0.303 482 W CA 0.000 57.090 57.345 -0.426 0.000 1.226 482 W CB 0.000 29.195 29.460 -0.442 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535