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 1nse_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 0.000 176.176 176.600 -0.706 0.000 0.988 69 K CA 0.000 55.965 56.287 -0.537 0.000 0.838 69 K CB 0.000 32.017 32.500 -0.804 0.000 1.064 70 F N 4.016 123.980 119.950 0.023 0.000 2.477 70 F HA 0.519 5.047 4.527 0.001 0.000 0.335 70 F C -2.255 173.628 175.800 0.138 0.000 1.130 70 F CA -2.461 55.574 58.000 0.058 0.000 0.948 70 F CB 1.267 40.309 39.000 0.069 0.000 1.154 70 F HN -0.129 nan 8.300 nan 0.000 0.439 71 P HA 0.076 nan 4.420 nan 0.000 0.268 71 P C -0.533 176.851 177.300 0.141 0.000 1.204 71 P CA -0.415 62.783 63.100 0.163 0.000 0.768 71 P CB 1.039 32.800 31.700 0.102 0.000 0.842 72 R N 2.313 122.827 120.500 0.024 0.000 2.298 72 R HA 0.365 4.706 4.340 0.001 0.000 0.310 72 R C -1.049 175.116 176.300 -0.225 0.000 1.068 72 R CA -0.406 55.484 56.100 -0.351 0.000 0.957 72 R CB 0.374 30.545 30.300 -0.215 0.000 1.003 72 R HN 0.270 nan 8.270 nan 0.000 0.454 73 V N 5.345 125.082 119.914 -0.296 0.000 2.444 73 V HA 0.330 4.451 4.120 0.001 0.000 0.294 73 V C -0.375 175.623 176.094 -0.159 0.000 1.022 73 V CA -0.760 61.463 62.300 -0.129 0.000 0.850 73 V CB 1.482 33.272 31.823 -0.056 0.000 0.992 73 V HN 0.744 nan 8.190 nan 0.000 0.426 74 K N 3.809 124.135 120.400 -0.123 0.000 2.207 74 K HA 0.438 4.759 4.320 0.001 0.000 0.255 74 K C -0.492 176.002 176.600 -0.177 0.000 0.941 74 K CA -0.694 55.428 56.287 -0.276 0.000 0.825 74 K CB 1.469 33.617 32.500 -0.586 0.000 1.119 74 K HN 0.702 nan 8.250 nan 0.000 0.430 75 N N 4.028 122.625 118.700 -0.171 0.000 2.457 75 N HA 0.084 4.824 4.740 0.001 0.000 0.250 75 N C -0.317 175.166 175.510 -0.044 0.000 0.982 75 N CA -0.295 52.761 53.050 0.011 0.000 0.941 75 N CB 0.468 38.987 38.487 0.054 0.000 1.120 75 N HN 0.683 nan 8.380 nan 0.000 0.505 76 W N 2.165 123.552 121.300 0.145 0.000 2.770 76 W HA 0.114 4.775 4.660 0.002 0.000 0.256 76 W C 2.098 178.675 176.519 0.097 0.000 1.291 76 W CA -0.085 57.336 57.345 0.127 0.000 1.396 76 W CB 0.284 29.845 29.460 0.168 0.000 1.114 76 W HN 0.668 nan 8.180 nan 0.000 0.637 77 E N 0.638 120.993 120.200 0.259 0.000 2.046 77 E HA -0.148 4.203 4.350 0.001 0.000 0.190 77 E C 1.706 178.335 176.600 0.050 0.000 0.982 77 E CA 1.193 57.637 56.400 0.074 0.000 0.800 77 E CB -0.287 29.403 29.700 -0.017 0.000 0.756 77 E HN 0.259 nan 8.360 nan 0.000 0.449 78 L N -0.925 120.325 121.223 0.044 0.000 2.554 78 L HA 0.312 4.652 4.340 0.001 0.000 0.225 78 L C 1.643 178.498 176.870 -0.024 0.000 1.104 78 L CA 0.395 55.242 54.840 0.010 0.000 0.866 78 L CB 0.424 42.491 42.059 0.013 0.000 1.047 78 L HN 0.474 nan 8.230 nan 0.000 0.468 79 G N 0.542 109.305 108.800 -0.062 0.000 2.184 79 G HA2 -0.325 3.636 3.960 0.001 0.000 0.264 79 G HA3 -0.325 3.636 3.960 0.001 0.000 0.264 79 G C 0.460 175.270 174.900 -0.150 0.000 0.975 79 G CA 0.492 45.512 45.100 -0.133 0.000 0.642 79 G HN 0.471 nan 8.290 nan 0.000 0.536 80 S N -0.507 115.127 115.700 -0.109 0.000 2.585 80 S HA 0.700 5.171 4.470 0.001 0.000 0.273 80 S C 0.006 174.518 174.600 -0.145 0.000 1.339 80 S CA -0.205 57.936 58.200 -0.099 0.000 1.028 80 S CB 2.106 65.272 63.200 -0.057 0.000 0.906 80 S HN 0.611 nan 8.310 nan 0.000 0.528 81 I N 1.404 121.894 120.570 -0.133 0.000 2.545 81 I HA 0.529 4.700 4.170 0.001 0.000 0.292 81 I C 0.134 176.151 176.117 -0.166 0.000 1.040 81 I CA -0.173 61.014 61.300 -0.189 0.000 1.068 81 I CB 2.640 40.516 38.000 -0.206 0.000 1.251 81 I HN 1.027 nan 8.210 nan 0.000 0.424 82 T N 1.074 115.489 114.554 -0.232 0.000 2.887 82 T HA 0.640 4.991 4.350 0.001 0.000 0.292 82 T C -1.226 173.272 174.700 -0.338 0.000 1.087 82 T CA -0.792 61.211 62.100 -0.161 0.000 1.009 82 T CB 1.404 70.231 68.868 -0.069 0.000 1.203 82 T HN 0.232 nan 8.240 nan 0.000 0.518 83 Y N 0.296 120.582 120.300 -0.023 0.000 2.341 83 Y HA 0.432 4.983 4.550 0.002 0.000 0.338 83 Y C 0.096 175.983 175.900 -0.021 0.000 0.965 83 Y CA -0.925 57.169 58.100 -0.010 0.000 1.108 83 Y CB 1.640 40.081 38.460 -0.032 0.000 1.180 83 Y HN 0.708 nan 8.280 nan 0.000 0.458 84 D N 2.402 122.887 120.400 0.141 0.000 2.393 84 D HA 0.047 4.688 4.640 0.001 0.000 0.232 84 D C 0.762 177.122 176.300 0.100 0.000 1.192 84 D CA 0.182 54.242 54.000 0.100 0.000 0.882 84 D CB 1.081 41.947 40.800 0.111 0.000 1.038 84 D HN 0.804 nan 8.370 nan 0.000 0.499 85 T N 1.081 115.617 114.554 -0.030 0.000 3.037 85 T HA -0.065 4.286 4.350 0.001 0.000 0.251 85 T C 1.871 176.566 174.700 -0.007 0.000 1.079 85 T CA -0.224 61.796 62.100 -0.135 0.000 1.067 85 T CB 0.101 68.685 68.868 -0.472 0.000 0.948 85 T HN 0.259 nan 8.240 nan 0.000 0.496 86 L N 2.446 123.661 121.223 -0.012 0.000 2.131 86 L HA 0.030 4.371 4.340 0.001 0.000 0.210 86 L C 2.621 179.425 176.870 -0.110 0.000 1.092 86 L CA 1.200 56.046 54.840 0.011 0.000 0.759 86 L CB -0.948 41.175 42.059 0.108 0.000 0.903 86 L HN 0.662 nan 8.230 nan 0.000 0.435 87 C N -1.564 117.497 119.300 -0.399 0.000 2.419 87 C HA 0.053 4.514 4.460 0.001 0.000 0.283 87 C C 2.755 177.549 174.990 -0.327 0.000 1.373 87 C CA 0.150 58.613 59.018 -0.924 0.000 1.781 87 C CB -2.250 24.868 27.740 -1.037 0.000 1.886 87 C HN 0.579 nan 8.230 nan 0.000 0.520 88 A N 0.277 123.051 122.820 -0.077 0.000 2.172 88 A HA -0.067 4.254 4.320 0.001 0.000 0.216 88 A C 2.183 179.774 177.584 0.011 0.000 1.154 88 A CA 1.285 53.328 52.037 0.010 0.000 0.701 88 A CB -0.388 18.715 19.000 0.172 0.000 0.789 88 A HN 0.728 nan 8.150 nan 0.000 0.465 89 Q N -0.013 119.792 119.800 0.009 0.000 2.403 89 Q HA 0.108 4.449 4.340 0.001 0.000 0.203 89 Q C 0.697 176.733 176.000 0.060 0.000 0.932 89 Q CA 0.248 56.078 55.803 0.045 0.000 0.945 89 Q CB -0.391 28.386 28.738 0.065 0.000 1.045 89 Q HN 0.488 nan 8.270 nan 0.000 0.511 90 S N 0.924 116.652 115.700 0.047 0.000 2.564 90 S HA 0.091 4.562 4.470 0.001 0.000 0.278 90 S C 0.800 175.432 174.600 0.054 0.000 1.333 90 S CA -0.032 58.221 58.200 0.089 0.000 1.048 90 S CB 0.577 63.853 63.200 0.126 0.000 0.900 90 S HN 0.127 nan 8.310 nan 0.000 0.505 91 Q N 1.762 121.597 119.800 0.059 0.000 2.157 91 Q HA 0.245 4.586 4.340 0.001 0.000 0.235 91 Q C -0.289 175.733 176.000 0.037 0.000 0.803 91 Q CA -0.038 55.789 55.803 0.041 0.000 0.967 91 Q CB 0.534 29.297 28.738 0.042 0.000 1.150 91 Q HN 0.614 nan 8.270 nan 0.000 0.482 92 Q N 1.474 121.301 119.800 0.045 0.000 2.293 92 Q HA 0.242 4.583 4.340 0.001 0.000 0.261 92 Q C -1.136 174.890 176.000 0.043 0.000 0.960 92 Q CA -0.199 55.626 55.803 0.036 0.000 0.882 92 Q CB 1.543 30.297 28.738 0.028 0.000 1.275 92 Q HN 0.036 nan 8.270 nan 0.000 0.445 93 D N 1.477 121.897 120.400 0.033 0.000 2.304 93 D HA 0.367 5.008 4.640 0.001 0.000 0.250 93 D C 0.247 176.569 176.300 0.036 0.000 1.107 93 D CA 0.146 54.166 54.000 0.034 0.000 0.885 93 D CB 1.289 42.103 40.800 0.024 0.000 1.192 93 D HN 0.629 nan 8.370 nan 0.000 0.436 94 G N 1.269 110.096 108.800 0.045 0.000 2.525 94 G HA2 0.350 4.311 3.960 0.001 0.000 0.287 94 G HA3 0.350 4.311 3.960 0.001 0.000 0.287 94 G C -1.505 173.417 174.900 0.037 0.000 1.350 94 G CA -0.688 44.439 45.100 0.044 0.000 1.039 94 G HN 0.367 nan 8.290 nan 0.000 0.513 95 P HA 0.180 nan 4.420 nan 0.000 0.251 95 P C 0.266 177.584 177.300 0.030 0.000 1.223 95 P CA -0.114 63.006 63.100 0.033 0.000 0.796 95 P CB 0.124 31.846 31.700 0.038 0.000 1.068 96 C N 0.687 120.007 119.300 0.033 0.000 2.422 96 C HA 0.627 5.088 4.460 0.001 0.000 0.364 96 C C 1.049 176.051 174.990 0.021 0.000 1.251 96 C CA 0.136 59.171 59.018 0.028 0.000 2.441 96 C CB 0.980 28.739 27.740 0.033 0.000 2.393 96 C HN 0.367 nan 8.230 nan 0.000 0.606 97 T N -1.906 112.657 114.554 0.015 0.000 2.841 97 T HA 0.441 4.792 4.350 0.001 0.000 0.296 97 T C -2.492 172.212 174.700 0.007 0.000 1.166 97 T CA -1.068 61.038 62.100 0.010 0.000 1.007 97 T CB 1.204 70.076 68.868 0.007 0.000 1.253 97 T HN 0.286 nan 8.240 nan 0.000 0.511 98 P HA 0.035 nan 4.420 nan 0.000 0.225 98 P C 1.358 178.659 177.300 0.000 0.000 1.148 98 P CA 0.545 63.645 63.100 0.001 0.000 0.779 98 P CB 0.110 31.808 31.700 -0.002 0.000 0.780 99 R N 0.155 120.656 120.500 0.001 0.000 2.127 99 R HA 0.014 4.355 4.340 0.001 0.000 0.217 99 R C 0.476 176.776 176.300 0.001 0.000 1.074 99 R CA 0.583 56.683 56.100 0.001 0.000 0.991 99 R CB 0.227 30.528 30.300 0.001 0.000 0.895 99 R HN 0.052 nan 8.270 nan 0.000 0.450 100 R N 0.220 120.722 120.500 0.003 0.000 2.561 100 R HA 0.139 4.480 4.340 0.001 0.000 0.266 100 R C -1.790 174.515 176.300 0.008 0.000 1.091 100 R CA -0.672 55.430 56.100 0.004 0.000 0.927 100 R CB 0.134 30.437 30.300 0.004 0.000 1.240 100 R HN 0.094 nan 8.270 nan 0.000 0.449 101 C N 4.082 123.386 119.300 0.007 0.000 2.415 101 C HA 0.523 4.984 4.460 0.001 0.000 0.369 101 C C 0.332 175.334 174.990 0.019 0.000 1.279 101 C CA -0.554 58.471 59.018 0.013 0.000 1.886 101 C CB -0.519 27.225 27.740 0.006 0.000 2.468 101 C HN 0.683 nan 8.230 nan 0.000 0.553 102 L N 6.342 127.582 121.223 0.029 0.000 3.017 102 L HA 0.337 4.678 4.340 0.001 0.000 0.255 102 L C 2.057 178.959 176.870 0.053 0.000 1.247 102 L CA 0.717 55.579 54.840 0.036 0.000 1.038 102 L CB -0.337 41.742 42.059 0.035 0.000 1.380 102 L HN 1.076 nan 8.230 nan 0.000 0.548 103 G N -0.303 108.531 108.800 0.055 0.000 2.479 103 G HA2 -0.276 3.685 3.960 0.001 0.000 0.220 103 G HA3 -0.276 3.685 3.960 0.001 0.000 0.220 103 G C 1.462 176.428 174.900 0.111 0.000 1.115 103 G CA 1.198 46.345 45.100 0.078 0.000 0.757 103 G HN 0.525 nan 8.290 nan 0.000 0.560 104 S N -0.313 115.447 115.700 0.101 0.000 2.575 104 S HA 0.344 4.815 4.470 0.001 0.000 0.215 104 S C 0.853 175.536 174.600 0.138 0.000 0.966 104 S CA -0.542 57.737 58.200 0.132 0.000 0.911 104 S CB -0.121 63.136 63.200 0.096 0.000 0.780 104 S HN 0.150 nan 8.310 nan 0.000 0.514 105 L N 1.925 123.215 121.223 0.111 0.000 2.380 105 L HA 0.273 4.614 4.340 0.001 0.000 0.273 105 L C 1.485 178.439 176.870 0.141 0.000 1.138 105 L CA -0.517 54.385 54.840 0.102 0.000 0.832 105 L CB 0.873 42.972 42.059 0.067 0.000 1.124 105 L HN 0.018 nan 8.230 nan 0.000 0.454 106 V N 3.928 123.931 119.914 0.149 0.000 2.307 106 V HA -0.150 3.971 4.120 0.001 0.000 0.245 106 V C 0.572 176.706 176.094 0.066 0.000 1.045 106 V CA 1.448 63.859 62.300 0.186 0.000 1.024 106 V CB -0.330 31.595 31.823 0.169 0.000 0.651 106 V HN 0.649 nan 8.190 nan 0.000 0.449 107 L N -0.279 120.945 121.223 0.002 0.000 2.504 107 L HA 0.589 4.930 4.340 0.001 0.000 0.265 107 L C -2.932 173.947 176.870 0.015 0.000 0.975 107 L CA -1.495 53.337 54.840 -0.014 0.000 0.864 107 L CB 0.708 42.661 42.059 -0.178 0.000 1.212 107 L HN -0.059 nan 8.230 nan 0.000 0.416 108 P HA 0.400 nan 4.420 nan 0.000 0.278 108 P C 0.240 177.558 177.300 0.030 0.000 1.238 108 P CA -0.708 62.411 63.100 0.032 0.000 0.794 108 P CB 0.980 32.703 31.700 0.037 0.000 0.955 109 R N 0.984 121.493 120.500 0.015 0.000 2.241 109 R HA -0.090 4.251 4.340 0.001 0.000 0.224 109 R C 1.621 177.931 176.300 0.018 0.000 1.101 109 R CA 0.863 56.969 56.100 0.010 0.000 0.995 109 R CB -0.251 30.048 30.300 -0.002 0.000 0.870 109 R HN 0.383 nan 8.270 nan 0.000 0.463 110 K N 1.044 121.458 120.400 0.023 0.000 1.967 110 K HA -0.123 4.197 4.320 0.001 0.000 0.212 110 K C 2.031 178.647 176.600 0.027 0.000 1.044 110 K CA 1.087 57.387 56.287 0.022 0.000 0.942 110 K CB -0.736 31.778 32.500 0.023 0.000 0.726 110 K HN 0.162 nan 8.250 nan 0.000 0.440 111 L N 1.924 123.170 121.223 0.037 0.000 2.353 111 L HA -0.063 4.278 4.340 0.001 0.000 0.220 111 L C 1.079 177.972 176.870 0.040 0.000 1.133 111 L CA 1.128 55.988 54.840 0.033 0.000 0.798 111 L CB -0.541 41.538 42.059 0.033 0.000 0.922 111 L HN 0.166 nan 8.230 nan 0.000 0.445 112 Q N 0.652 120.489 119.800 0.061 0.000 2.330 112 Q HA 0.077 4.418 4.340 0.001 0.000 0.279 112 Q C -0.477 175.543 176.000 0.033 0.000 1.024 112 Q CA 0.535 56.381 55.803 0.071 0.000 0.900 112 Q CB 0.528 29.306 28.738 0.067 0.000 1.221 112 Q HN 0.490 nan 8.270 nan 0.000 0.396 113 T N 3.208 117.780 114.554 0.030 0.000 3.151 113 T HA 0.400 4.751 4.350 0.001 0.000 0.332 113 T C -0.139 174.561 174.700 -0.001 0.000 1.245 113 T CA -0.704 61.401 62.100 0.008 0.000 1.019 113 T CB 0.176 69.046 68.868 0.003 0.000 1.109 113 T HN 0.429 nan 8.240 nan 0.000 0.621 114 R N 2.145 122.639 120.500 -0.010 0.000 2.543 114 R HA 0.454 4.794 4.340 0.001 0.000 0.268 114 R C -2.141 174.144 176.300 -0.024 0.000 1.067 114 R CA -1.740 54.346 56.100 -0.023 0.000 1.142 114 R CB -0.130 30.155 30.300 -0.024 0.000 1.110 114 R HN 0.348 nan 8.270 nan 0.000 0.549 115 P HA -0.036 nan 4.420 nan 0.000 0.271 115 P C -0.603 176.685 177.300 -0.020 0.000 1.233 115 P CA -0.040 63.045 63.100 -0.025 0.000 0.795 115 P CB 0.501 32.184 31.700 -0.028 0.000 0.936 116 S N -0.938 114.753 115.700 -0.016 0.000 2.627 116 S HA 0.685 5.155 4.470 0.001 0.000 0.283 116 S C -2.327 172.267 174.600 -0.009 0.000 1.127 116 S CA -0.883 57.310 58.200 -0.013 0.000 0.863 116 S CB 0.875 64.067 63.200 -0.013 0.000 1.121 116 S HN 0.290 nan 8.310 nan 0.000 0.479 117 P HA 0.488 nan 4.420 nan 0.000 0.258 117 P C 0.334 177.633 177.300 -0.002 0.000 1.416 117 P CA 0.017 63.114 63.100 -0.004 0.000 0.927 117 P CB 0.043 31.741 31.700 -0.003 0.000 1.444 118 G N 0.363 109.161 108.800 -0.003 0.000 2.336 118 G HA2 0.366 4.326 3.960 0.001 0.000 0.286 118 G HA3 0.366 4.326 3.960 0.001 0.000 0.286 118 G C -3.387 171.511 174.900 -0.004 0.000 1.269 118 G CA -0.776 44.323 45.100 -0.002 0.000 0.873 118 G HN -0.193 nan 8.290 nan 0.000 0.494 119 P HA 0.473 nan 4.420 nan 0.000 0.292 119 P C -2.391 174.909 177.300 -0.001 0.000 1.287 119 P CA -1.128 61.971 63.100 -0.002 0.000 0.800 119 P CB 0.462 32.165 31.700 0.004 0.000 0.945 120 P HA 0.139 nan 4.420 nan 0.000 0.267 120 P C -2.354 174.949 177.300 0.005 0.000 1.201 120 P CA -0.735 62.365 63.100 -0.000 0.000 0.775 120 P CB -1.146 30.554 31.700 -0.001 0.000 0.854 121 P HA 0.052 nan 4.420 nan 0.000 0.267 121 P C 0.418 177.723 177.300 0.009 0.000 1.205 121 P CA 0.132 63.236 63.100 0.006 0.000 0.765 121 P CB 0.409 32.112 31.700 0.005 0.000 0.828 122 A N 3.836 126.661 122.820 0.008 0.000 2.019 122 A HA -0.192 4.129 4.320 0.001 0.000 0.219 122 A C 1.889 179.474 177.584 0.002 0.000 1.164 122 A CA 1.314 53.356 52.037 0.008 0.000 0.644 122 A CB -0.656 18.348 19.000 0.006 0.000 0.805 122 A HN 0.540 nan 8.150 nan 0.000 0.449 123 E N -0.067 120.134 120.200 0.002 0.000 2.047 123 E HA -0.205 4.145 4.350 0.001 0.000 0.191 123 E C 2.209 178.812 176.600 0.004 0.000 0.987 123 E CA 1.354 57.754 56.400 -0.000 0.000 0.799 123 E CB -0.369 29.331 29.700 0.000 0.000 0.752 123 E HN 0.793 nan 8.360 nan 0.000 0.449 124 Q N 0.556 120.361 119.800 0.008 0.000 2.030 124 Q HA -0.183 4.158 4.340 0.001 0.000 0.204 124 Q C 2.361 178.373 176.000 0.021 0.000 0.986 124 Q CA 1.230 57.041 55.803 0.014 0.000 0.843 124 Q CB -0.305 28.441 28.738 0.013 0.000 0.904 124 Q HN 0.118 nan 8.270 nan 0.000 0.420 125 L N 0.755 121.992 121.223 0.023 0.000 1.990 125 L HA -0.210 4.131 4.340 0.001 0.000 0.213 125 L C 2.071 178.953 176.870 0.021 0.000 1.072 125 L CA 1.701 56.566 54.840 0.041 0.000 0.755 125 L CB -0.763 41.327 42.059 0.052 0.000 0.889 125 L HN 0.272 nan 8.230 nan 0.000 0.432 126 L N -0.780 120.435 121.223 -0.014 0.000 2.275 126 L HA -0.101 4.240 4.340 0.001 0.000 0.215 126 L C 2.536 179.394 176.870 -0.021 0.000 1.119 126 L CA 1.773 56.580 54.840 -0.055 0.000 0.790 126 L CB -0.624 41.399 42.059 -0.060 0.000 0.919 126 L HN 0.538 nan 8.230 nan 0.000 0.443 127 S N -1.278 114.426 115.700 0.006 0.000 2.368 127 S HA -0.240 4.231 4.470 0.001 0.000 0.224 127 S C 1.834 176.465 174.600 0.052 0.000 1.029 127 S CA 1.224 59.438 58.200 0.023 0.000 0.988 127 S CB -0.635 62.579 63.200 0.023 0.000 0.838 127 S HN 0.617 nan 8.310 nan 0.000 0.462 128 Q N 1.325 121.163 119.800 0.063 0.000 2.119 128 Q HA 0.126 4.467 4.340 0.001 0.000 0.201 128 Q C 2.529 178.627 176.000 0.163 0.000 0.972 128 Q CA 1.227 57.093 55.803 0.104 0.000 0.847 128 Q CB -0.476 28.316 28.738 0.089 0.000 0.903 128 Q HN 0.719 nan 8.270 nan 0.000 0.433 129 A N 1.346 124.236 122.820 0.117 0.000 1.897 129 A HA -0.149 4.171 4.320 0.001 0.000 0.215 129 A C 1.999 179.674 177.584 0.152 0.000 1.181 129 A CA 0.987 53.109 52.037 0.141 0.000 0.620 129 A CB -0.269 18.576 19.000 -0.257 0.000 0.821 129 A HN 0.184 nan 8.150 nan 0.000 0.443 130 R N -0.344 120.195 120.500 0.066 0.000 2.083 130 R HA -0.176 4.165 4.340 0.001 0.000 0.237 130 R C 2.025 178.405 176.300 0.133 0.000 1.137 130 R CA 1.708 57.852 56.100 0.074 0.000 0.951 130 R CB -0.568 29.746 30.300 0.025 0.000 0.851 130 R HN 0.690 nan 8.270 nan 0.000 0.434 131 D N 0.134 120.618 120.400 0.141 0.000 2.123 131 D HA -0.217 4.424 4.640 0.001 0.000 0.196 131 D C 1.645 178.074 176.300 0.216 0.000 0.992 131 D CA 1.050 55.144 54.000 0.157 0.000 0.833 131 D CB -0.054 40.833 40.800 0.146 0.000 0.954 131 D HN 0.169 nan 8.370 nan 0.000 0.455 132 F N 0.727 120.772 119.950 0.158 0.000 2.113 132 F HA -0.054 4.474 4.527 0.001 0.000 0.297 132 F C 1.918 177.874 175.800 0.261 0.000 1.103 132 F CA 0.967 59.098 58.000 0.218 0.000 1.248 132 F CB -0.229 38.902 39.000 0.219 0.000 0.999 132 F HN -0.029 nan 8.300 nan 0.000 0.475 133 I N 1.055 121.658 120.570 0.055 0.000 2.264 133 I HA -0.299 3.872 4.170 0.001 0.000 0.248 133 I C 1.998 178.163 176.117 0.079 0.000 1.111 133 I CA 1.127 62.452 61.300 0.042 0.000 1.382 133 I CB -1.727 36.414 38.000 0.236 0.000 1.060 133 I HN 0.249 nan 8.210 nan 0.000 0.418 134 N N 0.996 119.769 118.700 0.122 0.000 2.084 134 N HA -0.188 4.553 4.740 0.001 0.000 0.190 134 N C 1.838 177.319 175.510 -0.047 0.000 1.030 134 N CA 1.145 54.258 53.050 0.106 0.000 0.849 134 N CB -0.334 38.242 38.487 0.149 0.000 1.012 134 N HN 0.510 nan 8.380 nan 0.000 0.423 135 Q N -0.452 119.326 119.800 -0.037 0.000 2.061 135 Q HA -0.204 4.137 4.340 0.001 0.000 0.204 135 Q C 1.857 177.651 176.000 -0.343 0.000 0.984 135 Q CA 1.443 57.234 55.803 -0.020 0.000 0.846 135 Q CB -0.358 28.520 28.738 0.234 0.000 0.902 135 Q HN 0.459 nan 8.270 nan 0.000 0.421 136 Y N 0.227 120.064 120.300 -0.772 0.000 2.070 136 Y HA -0.320 4.231 4.550 0.001 0.000 0.280 136 Y C 1.879 177.255 175.900 -0.872 0.000 1.148 136 Y CA 1.755 59.106 58.100 -1.248 0.000 1.125 136 Y CB -0.561 37.274 38.460 -1.041 0.000 0.975 136 Y HN 0.080 nan 8.280 nan 0.000 0.492 137 Y N -0.840 119.055 120.300 -0.675 0.000 2.242 137 Y HA -0.202 4.349 4.550 0.001 0.000 0.291 137 Y C 3.075 178.647 175.900 -0.548 0.000 1.137 137 Y CA 1.734 59.427 58.100 -0.677 0.000 1.181 137 Y CB -0.800 37.169 38.460 -0.818 0.000 0.989 137 Y HN 0.205 nan 8.280 nan 0.000 0.527 138 S N -0.588 114.921 115.700 -0.319 0.000 2.383 138 S HA -0.228 4.243 4.470 0.001 0.000 0.229 138 S C 2.373 176.824 174.600 -0.248 0.000 1.030 138 S CA 1.560 59.633 58.200 -0.211 0.000 1.002 138 S CB -0.634 62.493 63.200 -0.121 0.000 0.829 138 S HN 0.590 nan 8.310 nan 0.000 0.467 139 S N 1.646 117.103 115.700 -0.404 0.000 2.402 139 S HA -0.021 4.450 4.470 0.001 0.000 0.229 139 S C 1.615 175.980 174.600 -0.393 0.000 1.021 139 S CA 1.012 58.990 58.200 -0.371 0.000 0.974 139 S CB -0.787 62.051 63.200 -0.603 0.000 0.800 139 S HN 0.786 nan 8.310 nan 0.000 0.484 140 I N -3.625 116.608 120.570 -0.562 0.000 3.904 140 I HA 0.494 4.665 4.170 0.001 0.000 0.333 140 I C 0.303 176.264 176.117 -0.259 0.000 1.361 140 I CA -0.466 60.581 61.300 -0.422 0.000 1.116 140 I CB 0.146 37.809 38.000 -0.562 0.000 1.028 140 I HN -0.086 nan 8.210 nan 0.000 0.398 141 K N 1.216 121.485 120.400 -0.219 0.000 3.529 141 K HA -0.153 4.168 4.320 0.001 0.000 0.313 141 K C 0.504 177.054 176.600 -0.084 0.000 1.316 141 K CA 0.946 57.158 56.287 -0.126 0.000 0.988 141 K CB -1.476 30.969 32.500 -0.091 0.000 1.252 141 K HN 0.486 nan 8.250 nan 0.000 0.438 142 R N 0.332 120.785 120.500 -0.078 0.000 2.788 142 R HA 0.115 4.456 4.340 0.001 0.000 0.264 142 R C 0.273 176.591 176.300 0.031 0.000 1.267 142 R CA -0.039 56.075 56.100 0.023 0.000 1.213 142 R CB -0.170 30.201 30.300 0.118 0.000 1.256 142 R HN 0.159 nan 8.270 nan 0.000 0.556 143 S N 0.575 116.251 115.700 -0.039 0.000 2.507 143 S HA 0.276 4.747 4.470 0.001 0.000 0.299 143 S C 1.280 175.937 174.600 0.095 0.000 1.214 143 S CA 0.979 59.152 58.200 -0.045 0.000 1.137 143 S CB -0.200 62.968 63.200 -0.053 0.000 1.009 143 S HN 0.762 nan 8.310 nan 0.000 0.512 144 G N 3.352 112.313 108.800 0.269 0.000 2.201 144 G HA2 -0.250 3.711 3.960 0.001 0.000 0.212 144 G HA3 -0.250 3.711 3.960 0.001 0.000 0.212 144 G C 0.275 175.206 174.900 0.051 0.000 0.994 144 G CA 0.071 45.250 45.100 0.132 0.000 0.644 144 G HN 1.411 nan 8.290 nan 0.000 0.508 145 S N -0.107 115.625 115.700 0.054 0.000 2.611 145 S HA 0.367 4.838 4.470 0.001 0.000 0.252 145 S C 1.227 175.820 174.600 -0.012 0.000 1.369 145 S CA 0.636 58.850 58.200 0.024 0.000 0.975 145 S CB 0.964 64.196 63.200 0.053 0.000 0.937 145 S HN 0.188 nan 8.310 nan 0.000 0.584 146 Q N 0.220 120.013 119.800 -0.012 0.000 2.172 146 Q HA -0.016 4.324 4.340 0.001 0.000 0.200 146 Q C 2.526 178.498 176.000 -0.046 0.000 0.964 146 Q CA 1.357 57.140 55.803 -0.033 0.000 0.855 146 Q CB -0.964 27.764 28.738 -0.017 0.000 0.918 146 Q HN 0.888 nan 8.270 nan 0.000 0.444 147 A N 0.128 122.941 122.820 -0.011 0.000 1.917 147 A HA -0.262 4.059 4.320 0.001 0.000 0.219 147 A C 1.936 179.383 177.584 -0.229 0.000 1.182 147 A CA 1.921 53.965 52.037 0.011 0.000 0.633 147 A CB -1.027 18.091 19.000 0.196 0.000 0.819 147 A HN 0.583 nan 8.150 nan 0.000 0.448 148 H N -1.119 117.571 119.070 -0.633 0.000 2.253 148 H HA -0.172 4.385 4.556 0.001 0.000 0.296 148 H C 2.236 177.277 175.328 -0.478 0.000 1.067 148 H CA 1.394 56.824 56.048 -1.031 0.000 1.245 148 H CB 0.011 29.353 29.762 -0.700 0.000 1.364 148 H HN 0.375 nan 8.280 nan 0.000 0.494 149 E N 0.702 120.716 120.200 -0.310 0.000 2.108 149 E HA -0.236 4.115 4.350 0.001 0.000 0.203 149 E C 2.173 178.672 176.600 -0.168 0.000 1.022 149 E CA 1.547 57.787 56.400 -0.267 0.000 0.823 149 E CB -0.378 29.219 29.700 -0.171 0.000 0.744 149 E HN 0.581 nan 8.360 nan 0.000 0.456 150 E N -0.402 119.729 120.200 -0.114 0.000 2.051 150 E HA -0.206 4.145 4.350 0.001 0.000 0.192 150 E C 2.166 178.748 176.600 -0.030 0.000 0.991 150 E CA 1.411 57.779 56.400 -0.053 0.000 0.799 150 E CB -0.034 29.656 29.700 -0.018 0.000 0.748 150 E HN -0.048 nan 8.360 nan 0.000 0.449 151 R N 0.431 120.913 120.500 -0.029 0.000 2.092 151 R HA -0.080 4.261 4.340 0.001 0.000 0.231 151 R C 2.104 178.421 176.300 0.029 0.000 1.119 151 R CA 1.143 57.278 56.100 0.060 0.000 0.970 151 R CB -0.512 29.902 30.300 0.190 0.000 0.864 151 R HN 0.189 nan 8.270 nan 0.000 0.440 152 L N 0.067 121.267 121.223 -0.038 0.000 2.079 152 L HA -0.218 4.123 4.340 0.001 0.000 0.210 152 L C 2.587 179.421 176.870 -0.059 0.000 1.081 152 L CA 1.774 56.578 54.840 -0.059 0.000 0.752 152 L CB -0.372 41.601 42.059 -0.143 0.000 0.896 152 L HN 0.314 nan 8.230 nan 0.000 0.433 153 Q N -0.471 119.295 119.800 -0.056 0.000 2.119 153 Q HA -0.189 4.152 4.340 0.001 0.000 0.201 153 Q C 2.133 178.124 176.000 -0.016 0.000 0.972 153 Q CA 1.368 57.147 55.803 -0.041 0.000 0.847 153 Q CB 0.102 28.816 28.738 -0.040 0.000 0.903 153 Q HN 0.508 nan 8.270 nan 0.000 0.433 154 E N -0.495 119.709 120.200 0.007 0.000 2.051 154 E HA -0.188 4.163 4.350 0.001 0.000 0.192 154 E C 2.035 178.654 176.600 0.032 0.000 0.991 154 E CA 1.534 57.956 56.400 0.036 0.000 0.799 154 E CB -0.124 29.618 29.700 0.069 0.000 0.748 154 E HN 0.160 nan 8.360 nan 0.000 0.449 155 V N 2.110 122.024 119.914 0.000 0.000 2.343 155 V HA -0.258 3.863 4.120 0.001 0.000 0.247 155 V C 2.215 178.235 176.094 -0.123 0.000 1.051 155 V CA 1.921 64.160 62.300 -0.102 0.000 1.036 155 V CB -0.537 31.139 31.823 -0.245 0.000 0.654 155 V HN 0.247 nan 8.190 nan 0.000 0.451 156 E N 0.369 120.516 120.200 -0.089 0.000 2.058 156 E HA -0.252 4.099 4.350 0.001 0.000 0.194 156 E C 2.379 178.961 176.600 -0.030 0.000 0.997 156 E CA 1.444 57.804 56.400 -0.068 0.000 0.801 156 E CB -0.398 29.269 29.700 -0.054 0.000 0.746 156 E HN 0.594 nan 8.360 nan 0.000 0.450 157 A N 1.620 124.434 122.820 -0.010 0.000 1.892 157 A HA -0.297 4.024 4.320 0.001 0.000 0.218 157 A C 2.085 179.688 177.584 0.032 0.000 1.188 157 A CA 2.012 54.056 52.037 0.012 0.000 0.631 157 A CB -0.595 18.417 19.000 0.020 0.000 0.822 157 A HN 0.299 nan 8.150 nan 0.000 0.447 158 E N -0.677 119.555 120.200 0.053 0.000 2.152 158 E HA -0.084 4.267 4.350 0.001 0.000 0.192 158 E C 1.850 178.503 176.600 0.088 0.000 0.983 158 E CA 1.065 57.524 56.400 0.098 0.000 0.818 158 E CB -0.051 29.755 29.700 0.177 0.000 0.758 158 E HN 0.330 nan 8.360 nan 0.000 0.467 159 V N 0.922 120.864 119.914 0.048 0.000 2.323 159 V HA -0.199 3.922 4.120 0.001 0.000 0.244 159 V C 2.363 178.475 176.094 0.030 0.000 1.041 159 V CA 1.680 64.005 62.300 0.042 0.000 1.025 159 V CB -0.524 31.294 31.823 -0.009 0.000 0.656 159 V HN 0.422 nan 8.190 nan 0.000 0.451 160 A N -0.591 122.238 122.820 0.015 0.000 2.024 160 A HA -0.178 4.143 4.320 0.001 0.000 0.220 160 A C 2.371 179.968 177.584 0.022 0.000 1.164 160 A CA 2.312 54.356 52.037 0.013 0.000 0.643 160 A CB -0.358 18.644 19.000 0.004 0.000 0.806 160 A HN 0.547 nan 8.150 nan 0.000 0.451 161 S N -1.702 114.017 115.700 0.032 0.000 2.499 161 S HA -0.005 4.466 4.470 0.001 0.000 0.225 161 S C 1.802 176.426 174.600 0.041 0.000 1.050 161 S CA 1.101 59.322 58.200 0.034 0.000 0.928 161 S CB 0.138 63.359 63.200 0.036 0.000 0.803 161 S HN 0.859 nan 8.310 nan 0.000 0.506 162 T N -2.023 112.563 114.554 0.054 0.000 3.003 162 T HA 0.446 4.797 4.350 0.001 0.000 0.261 162 T C 1.473 176.205 174.700 0.055 0.000 1.003 162 T CA 0.817 62.953 62.100 0.061 0.000 0.917 162 T CB 0.399 69.320 68.868 0.089 0.000 1.084 162 T HN 0.499 nan 8.240 nan 0.000 0.522 163 G N 0.353 109.183 108.800 0.049 0.000 2.189 163 G HA2 -0.219 3.742 3.960 0.001 0.000 0.267 163 G HA3 -0.219 3.742 3.960 0.001 0.000 0.267 163 G C 0.196 175.128 174.900 0.054 0.000 0.975 163 G CA 0.702 45.828 45.100 0.042 0.000 0.644 163 G HN 1.028 nan 8.290 nan 0.000 0.537 164 T N -1.692 112.909 114.554 0.079 0.000 2.665 164 T HA 0.705 5.056 4.350 0.001 0.000 0.303 164 T C -1.199 173.612 174.700 0.184 0.000 1.334 164 T CA 0.451 62.605 62.100 0.090 0.000 1.011 164 T CB 1.455 70.304 68.868 -0.032 0.000 1.573 164 T HN 1.582 nan 8.240 nan 0.000 0.492 165 Y N -0.833 119.360 120.300 -0.177 0.000 2.853 165 Y HA 0.829 5.380 4.550 0.001 0.000 0.326 165 Y C -1.680 173.986 175.900 -0.390 0.000 1.384 165 Y CA -1.169 56.867 58.100 -0.108 0.000 1.077 165 Y CB 0.640 39.100 38.460 0.000 0.000 1.395 165 Y HN 0.808 nan 8.280 nan 0.000 0.451 166 H N 0.177 119.222 119.070 -0.040 0.000 2.821 166 H HA 0.708 5.265 4.556 0.002 0.000 0.373 166 H C -1.218 174.092 175.328 -0.031 0.000 1.165 166 H CA -0.809 55.164 56.048 -0.126 0.000 1.154 166 H CB 2.108 31.865 29.762 -0.008 0.000 1.765 166 H HN 0.718 nan 8.280 nan 0.000 0.549 167 L N 2.278 123.532 121.223 0.051 0.000 2.334 167 L HA 0.462 4.803 4.340 0.001 0.000 0.277 167 L C 0.261 177.186 176.870 0.092 0.000 1.075 167 L CA -1.108 53.790 54.840 0.096 0.000 0.804 167 L CB 0.633 42.723 42.059 0.053 0.000 1.174 167 L HN 0.372 nan 8.230 nan 0.000 0.438 168 R N 1.368 121.908 120.500 0.067 0.000 2.641 168 R HA 0.010 4.351 4.340 0.001 0.000 0.269 168 R C 1.002 177.293 176.300 -0.015 0.000 1.074 168 R CA -0.094 56.018 56.100 0.019 0.000 1.133 168 R CB 0.252 30.544 30.300 -0.013 0.000 1.029 168 R HN 0.654 nan 8.270 nan 0.000 0.488 169 E N 1.120 121.312 120.200 -0.013 0.000 2.097 169 E HA -0.234 4.117 4.350 0.001 0.000 0.196 169 E C 1.253 177.838 176.600 -0.026 0.000 1.000 169 E CA 2.064 58.448 56.400 -0.026 0.000 0.804 169 E CB 0.212 29.901 29.700 -0.017 0.000 0.740 169 E HN 0.674 nan 8.360 nan 0.000 0.454 170 S N 0.108 115.791 115.700 -0.027 0.000 2.399 170 S HA -0.174 4.297 4.470 0.001 0.000 0.231 170 S C 1.707 176.297 174.600 -0.017 0.000 1.022 170 S CA 1.204 59.411 58.200 0.012 0.000 0.983 170 S CB -0.278 62.957 63.200 0.058 0.000 0.803 170 S HN 0.326 nan 8.310 nan 0.000 0.480 171 E N 0.984 121.040 120.200 -0.240 0.000 2.072 171 E HA -0.054 4.297 4.350 0.001 0.000 0.191 171 E C 2.037 178.758 176.600 0.202 0.000 0.985 171 E CA 1.100 57.364 56.400 -0.227 0.000 0.801 171 E CB -0.345 29.223 29.700 -0.220 0.000 0.750 171 E HN 0.452 nan 8.360 nan 0.000 0.452 172 L N 0.795 122.047 121.223 0.047 0.000 2.083 172 L HA -0.147 4.194 4.340 0.001 0.000 0.209 172 L C 2.171 179.028 176.870 -0.021 0.000 1.083 172 L CA 1.287 56.095 54.840 -0.053 0.000 0.752 172 L CB -0.135 41.828 42.059 -0.159 0.000 0.899 172 L HN -0.064 nan 8.230 nan 0.000 0.433 173 V N -0.663 119.277 119.914 0.043 0.000 2.358 173 V HA -0.270 3.851 4.120 0.001 0.000 0.246 173 V C 2.280 178.474 176.094 0.168 0.000 1.047 173 V CA 1.929 64.264 62.300 0.059 0.000 1.035 173 V CB -0.811 31.046 31.823 0.056 0.000 0.658 173 V HN 0.573 nan 8.190 nan 0.000 0.452 174 F N 2.113 122.152 119.950 0.147 0.000 2.134 174 F HA -0.055 4.473 4.527 0.002 0.000 0.299 174 F C 2.139 178.086 175.800 0.245 0.000 1.097 174 F CA 1.802 59.943 58.000 0.235 0.000 1.264 174 F CB -0.874 38.344 39.000 0.362 0.000 1.001 174 F HN 0.125 nan 8.300 nan 0.000 0.479 175 G N -0.227 108.678 108.800 0.175 0.000 2.418 175 G HA2 -0.191 3.770 3.960 0.001 0.000 0.217 175 G HA3 -0.191 3.770 3.960 0.001 0.000 0.217 175 G C 1.819 176.603 174.900 -0.193 0.000 1.158 175 G CA 0.818 45.905 45.100 -0.023 0.000 0.771 175 G HN 0.637 nan 8.290 nan 0.000 0.545 176 A N 0.913 123.643 122.820 -0.149 0.000 1.902 176 A HA 0.003 4.324 4.320 0.001 0.000 0.217 176 A C 2.306 179.890 177.584 0.000 0.000 1.181 176 A CA 1.974 53.922 52.037 -0.147 0.000 0.623 176 A CB -0.352 18.589 19.000 -0.098 0.000 0.818 176 A HN 0.377 nan 8.150 nan 0.000 0.443 177 K N -1.055 119.392 120.400 0.079 0.000 2.097 177 K HA -0.174 4.147 4.320 0.001 0.000 0.206 177 K C 2.321 179.003 176.600 0.136 0.000 1.049 177 K CA 1.556 58.001 56.287 0.264 0.000 0.933 177 K CB -0.107 32.591 32.500 0.331 0.000 0.717 177 K HN 0.448 nan 8.250 nan 0.000 0.442 178 Q N 0.600 120.295 119.800 -0.174 0.000 2.167 178 Q HA -0.033 4.308 4.340 0.001 0.000 0.202 178 Q C 1.840 177.692 176.000 -0.246 0.000 0.970 178 Q CA 1.505 57.093 55.803 -0.358 0.000 0.855 178 Q CB -0.117 28.281 28.738 -0.567 0.000 0.911 178 Q HN 0.330 nan 8.270 nan 0.000 0.438 179 A N -0.581 122.108 122.820 -0.218 0.000 1.902 179 A HA -0.182 4.139 4.320 0.001 0.000 0.217 179 A C 1.804 179.415 177.584 0.045 0.000 1.181 179 A CA 1.413 53.287 52.037 -0.273 0.000 0.623 179 A CB -1.171 17.369 19.000 -0.767 0.000 0.818 179 A HN 0.697 nan 8.150 nan 0.000 0.443 180 W N 1.023 122.335 121.300 0.021 0.000 2.354 180 W HA -0.149 4.511 4.660 0.001 0.000 0.315 180 W C 2.358 178.839 176.519 -0.063 0.000 1.206 180 W CA 1.633 59.027 57.345 0.081 0.000 1.290 180 W CB -0.771 28.734 29.460 0.075 0.000 1.152 180 W HN 0.368 nan 8.180 nan 0.000 0.489 181 R N 0.314 120.736 120.500 -0.130 0.000 2.139 181 R HA -0.208 4.133 4.340 0.001 0.000 0.243 181 R C 1.483 177.611 176.300 -0.286 0.000 1.145 181 R CA 1.899 57.696 56.100 -0.505 0.000 0.976 181 R CB -0.582 29.071 30.300 -1.079 0.000 0.866 181 R HN 0.117 nan 8.270 nan 0.000 0.449 182 N N 0.084 118.675 118.700 -0.182 0.000 2.412 182 N HA 0.042 4.782 4.740 0.001 0.000 0.184 182 N C -0.458 174.997 175.510 -0.093 0.000 1.101 182 N CA 0.612 53.574 53.050 -0.148 0.000 0.881 182 N CB 0.596 38.998 38.487 -0.141 0.000 0.969 182 N HN 0.174 nan 8.380 nan 0.000 0.459 183 A N 2.011 124.822 122.820 -0.014 0.000 2.475 183 A HA 0.257 4.578 4.320 0.001 0.000 0.293 183 A C -1.325 176.233 177.584 -0.044 0.000 1.252 183 A CA -0.947 51.085 52.037 -0.008 0.000 0.920 183 A CB 0.358 19.396 19.000 0.065 0.000 1.125 183 A HN 0.004 nan 8.150 nan 0.000 0.528 184 P HA -0.062 nan 4.420 nan 0.000 0.226 184 P C 0.989 178.242 177.300 -0.078 0.000 1.153 184 P CA 0.957 64.004 63.100 -0.087 0.000 0.777 184 P CB 0.178 31.794 31.700 -0.139 0.000 0.794 185 R N -1.847 118.568 120.500 -0.141 0.000 2.317 185 R HA 0.144 4.485 4.340 0.001 0.000 0.208 185 R C 0.157 176.457 176.300 -0.000 0.000 0.914 185 R CA -0.120 55.909 56.100 -0.117 0.000 1.060 185 R CB -0.367 29.653 30.300 -0.467 0.000 1.015 185 R HN 0.155 nan 8.270 nan 0.000 0.498 186 C N 0.308 119.599 119.300 -0.014 0.000 2.255 186 C HA 0.241 4.702 4.460 0.001 0.000 0.326 186 C C 1.759 176.711 174.990 -0.063 0.000 1.258 186 C CA -0.716 58.321 59.018 0.031 0.000 1.676 186 C CB 0.650 28.477 27.740 0.145 0.000 2.314 186 C HN 0.278 nan 8.230 nan 0.000 0.509 187 V N 5.959 125.795 119.914 -0.131 0.000 3.573 187 V HA 0.221 4.342 4.120 0.001 0.000 0.270 187 V C 1.692 177.805 176.094 0.031 0.000 1.221 187 V CA 1.967 64.090 62.300 -0.295 0.000 1.163 187 V CB -0.138 31.531 31.823 -0.257 0.000 0.847 187 V HN 1.074 nan 8.190 nan 0.000 0.468 188 G N -0.591 108.266 108.800 0.095 0.000 3.523 188 G HA2 0.082 4.043 3.960 0.001 0.000 0.270 188 G HA3 0.082 4.043 3.960 0.001 0.000 0.270 188 G C 1.160 176.106 174.900 0.076 0.000 1.134 188 G CA -0.381 44.797 45.100 0.130 0.000 0.825 188 G HN 0.427 nan 8.290 nan 0.000 0.534 189 R N -0.205 120.255 120.500 -0.068 0.000 2.323 189 R HA 0.191 4.532 4.340 0.001 0.000 0.198 189 R C 1.893 177.794 176.300 -0.664 0.000 0.988 189 R CA -0.065 55.721 56.100 -0.523 0.000 1.041 189 R CB -0.081 29.856 30.300 -0.606 0.000 0.926 189 R HN 0.438 nan 8.270 nan 0.000 0.476 190 I N 0.941 121.308 120.570 -0.339 0.000 2.700 190 I HA -0.234 3.937 4.170 0.001 0.000 0.261 190 I C 1.346 177.387 176.117 -0.127 0.000 1.219 190 I CA 1.234 62.484 61.300 -0.083 0.000 1.463 190 I CB 0.204 38.247 38.000 0.071 0.000 1.092 190 I HN 0.168 nan 8.210 nan 0.000 0.452 191 Q N 0.394 120.055 119.800 -0.231 0.000 2.360 191 Q HA -0.090 4.250 4.340 0.001 0.000 0.202 191 Q C 1.603 177.215 176.000 -0.646 0.000 0.915 191 Q CA 0.356 56.014 55.803 -0.242 0.000 0.943 191 Q CB -0.208 28.559 28.738 0.047 0.000 1.064 191 Q HN 0.797 nan 8.270 nan 0.000 0.511 192 W N 0.153 120.795 121.300 -1.097 0.000 2.331 192 W HA -0.125 4.536 4.660 0.002 0.000 0.291 192 W C 1.185 177.399 176.519 -0.509 0.000 1.214 192 W CA 1.138 57.618 57.345 -1.442 0.000 1.228 192 W CB -1.196 27.658 29.460 -1.009 0.000 1.135 192 W HN 0.065 nan 8.180 nan 0.000 0.537 193 G N 1.219 109.343 108.800 -1.127 0.000 2.534 193 G HA2 -0.204 3.757 3.960 0.001 0.000 0.217 193 G HA3 -0.204 3.757 3.960 0.001 0.000 0.217 193 G C 0.813 175.506 174.900 -0.345 0.000 1.128 193 G CA 0.230 44.743 45.100 -0.978 0.000 0.784 193 G HN 0.267 nan 8.290 nan 0.000 0.542 194 K N 0.054 120.353 120.400 -0.168 0.000 2.357 194 K HA 0.545 4.866 4.320 0.001 0.000 0.251 194 K C -1.649 175.089 176.600 0.229 0.000 1.069 194 K CA -0.677 55.630 56.287 0.033 0.000 0.994 194 K CB 0.354 32.889 32.500 0.058 0.000 1.411 194 K HN 0.042 nan 8.250 nan 0.000 0.450 195 L N 3.275 124.604 121.223 0.176 0.000 2.516 195 L HA 0.307 4.648 4.340 0.001 0.000 0.267 195 L C -1.420 175.444 176.870 -0.011 0.000 0.957 195 L CA -0.368 54.567 54.840 0.158 0.000 0.860 195 L CB 1.978 44.199 42.059 0.271 0.000 1.265 195 L HN 0.536 nan 8.230 nan 0.000 0.403 196 Q N 3.365 123.102 119.800 -0.105 0.000 2.307 196 Q HA 0.531 4.872 4.340 0.001 0.000 0.259 196 Q C -1.561 174.083 176.000 -0.594 0.000 0.998 196 Q CA -0.080 55.487 55.803 -0.393 0.000 0.923 196 Q CB 1.142 29.522 28.738 -0.598 0.000 1.196 196 Q HN 0.512 nan 8.270 nan 0.000 0.416 197 V N 6.317 125.924 119.914 -0.513 0.000 2.328 197 V HA 0.365 4.486 4.120 0.001 0.000 0.278 197 V C -0.714 175.097 176.094 -0.472 0.000 1.021 197 V CA -0.578 61.477 62.300 -0.407 0.000 0.838 197 V CB 0.172 31.874 31.823 -0.201 0.000 0.999 197 V HN 0.640 nan 8.190 nan 0.000 0.447 198 F N 2.740 122.569 119.950 -0.202 0.000 2.404 198 F HA 0.342 4.870 4.527 0.001 0.000 0.358 198 F C 0.640 176.286 175.800 -0.257 0.000 1.120 198 F CA -1.136 56.741 58.000 -0.206 0.000 1.144 198 F CB 0.768 39.652 39.000 -0.193 0.000 1.133 198 F HN 0.431 nan 8.300 nan 0.000 0.495 199 D N 3.311 123.694 120.400 -0.029 0.000 2.374 199 D HA 0.320 4.961 4.640 0.001 0.000 0.240 199 D C 0.283 176.433 176.300 -0.249 0.000 1.229 199 D CA 0.128 54.040 54.000 -0.147 0.000 0.895 199 D CB 0.997 41.749 40.800 -0.080 0.000 1.046 199 D HN 0.610 nan 8.370 nan 0.000 0.498 200 A N 4.589 127.086 122.820 -0.539 0.000 2.574 200 A HA 0.139 4.460 4.320 0.001 0.000 0.283 200 A C 1.582 178.875 177.584 -0.484 0.000 1.270 200 A CA -0.383 51.068 52.037 -0.977 0.000 0.945 200 A CB 0.021 17.930 19.000 -1.817 0.000 1.127 200 A HN 0.542 nan 8.150 nan 0.000 0.522 201 R N 0.829 121.180 120.500 -0.249 0.000 2.316 201 R HA -0.051 4.290 4.340 0.001 0.000 0.202 201 R C -0.084 176.181 176.300 -0.057 0.000 1.029 201 R CA 1.010 57.040 56.100 -0.115 0.000 1.018 201 R CB -0.025 30.259 30.300 -0.026 0.000 0.888 201 R HN 0.604 nan 8.270 nan 0.000 0.471 202 D N -0.244 120.148 120.400 -0.013 0.000 2.889 202 D HA -0.001 4.640 4.640 0.001 0.000 0.243 202 D C -0.514 175.864 176.300 0.130 0.000 1.270 202 D CA -0.436 53.602 54.000 0.064 0.000 0.838 202 D CB -0.405 40.451 40.800 0.092 0.000 1.040 202 D HN -0.034 nan 8.370 nan 0.000 0.480 203 C N 1.050 120.392 119.300 0.071 0.000 2.329 203 C HA 0.642 5.103 4.460 0.001 0.000 0.329 203 C C 1.136 176.230 174.990 0.173 0.000 1.275 203 C CA -0.101 59.009 59.018 0.154 0.000 1.726 203 C CB 0.557 28.386 27.740 0.148 0.000 2.291 203 C HN 0.479 nan 8.230 nan 0.000 0.514 204 S N 2.285 118.149 115.700 0.273 0.000 2.847 204 S HA 0.331 4.802 4.470 0.001 0.000 0.254 204 S C -0.093 174.679 174.600 0.286 0.000 1.039 204 S CA 0.158 58.561 58.200 0.338 0.000 1.113 204 S CB -0.283 63.043 63.200 0.211 0.000 1.092 204 S HN 1.304 nan 8.310 nan 0.000 0.620 205 S N -0.324 115.540 115.700 0.274 0.000 2.570 205 S HA 0.812 5.283 4.470 0.001 0.000 0.270 205 S C 0.846 175.545 174.600 0.166 0.000 1.149 205 S CA -0.292 58.017 58.200 0.181 0.000 0.837 205 S CB 1.039 64.320 63.200 0.135 0.000 1.124 205 S HN 0.545 nan 8.310 nan 0.000 0.465 206 A N 1.262 124.160 122.820 0.130 0.000 1.902 206 A HA -0.087 4.234 4.320 0.001 0.000 0.217 206 A C 2.121 179.736 177.584 0.051 0.000 1.181 206 A CA 1.725 53.833 52.037 0.119 0.000 0.623 206 A CB -1.054 18.074 19.000 0.213 0.000 0.818 206 A HN 0.785 nan 8.150 nan 0.000 0.443 207 Q N -0.028 119.883 119.800 0.186 0.000 2.112 207 Q HA -0.225 4.116 4.340 0.001 0.000 0.206 207 Q C 1.913 177.919 176.000 0.010 0.000 0.987 207 Q CA 2.135 58.012 55.803 0.124 0.000 0.858 207 Q CB -0.367 28.501 28.738 0.217 0.000 0.905 207 Q HN 0.816 nan 8.270 nan 0.000 0.420 208 E N -0.625 119.620 120.200 0.074 0.000 2.051 208 E HA -0.160 4.191 4.350 0.001 0.000 0.192 208 E C 2.152 178.855 176.600 0.170 0.000 0.991 208 E CA 1.169 57.635 56.400 0.111 0.000 0.799 208 E CB -0.087 29.729 29.700 0.195 0.000 0.748 208 E HN 0.377 nan 8.360 nan 0.000 0.449 209 M N -0.155 119.491 119.600 0.076 0.000 2.108 209 M HA -0.186 4.295 4.480 0.001 0.000 0.261 209 M C 2.173 178.480 176.300 0.012 0.000 1.066 209 M CA 1.270 56.531 55.300 -0.064 0.000 1.107 209 M CB -0.335 31.988 32.600 -0.462 0.000 1.356 209 M HN 0.120 nan 8.290 nan 0.000 0.406 210 F N 1.183 120.915 119.950 -0.364 0.000 2.126 210 F HA -0.202 4.326 4.527 0.001 0.000 0.299 210 F C 2.312 177.985 175.800 -0.211 0.000 1.096 210 F CA 1.894 59.605 58.000 -0.482 0.000 1.255 210 F CB -0.731 37.573 39.000 -1.160 0.000 0.997 210 F HN 0.036 nan 8.300 nan 0.000 0.479 211 T N -0.560 113.856 114.554 -0.230 0.000 2.737 211 T HA -0.217 4.134 4.350 0.001 0.000 0.265 211 T C 1.718 176.268 174.700 -0.251 0.000 1.038 211 T CA 1.750 63.666 62.100 -0.306 0.000 1.144 211 T CB -0.747 67.989 68.868 -0.220 0.000 0.866 211 T HN 0.266 nan 8.240 nan 0.000 0.434 212 Y N 1.013 121.261 120.300 -0.087 0.000 2.193 212 Y HA -0.075 4.476 4.550 0.002 0.000 0.285 212 Y C 2.188 178.053 175.900 -0.059 0.000 1.166 212 Y CA 0.630 58.700 58.100 -0.051 0.000 1.181 212 Y CB -0.572 37.987 38.460 0.165 0.000 0.976 212 Y HN 0.208 nan 8.280 nan 0.000 0.520 213 I N -1.774 118.886 120.570 0.150 0.000 2.252 213 I HA -0.330 3.841 4.170 0.001 0.000 0.245 213 I C 2.280 178.343 176.117 -0.091 0.000 1.102 213 I CA 0.932 62.267 61.300 0.059 0.000 1.385 213 I CB -0.419 37.602 38.000 0.036 0.000 1.064 213 I HN 0.232 nan 8.210 nan 0.000 0.414 214 C N 0.463 119.574 119.300 -0.315 0.000 2.422 214 C HA -0.152 4.309 4.460 0.001 0.000 0.279 214 C C 2.608 177.494 174.990 -0.173 0.000 1.305 214 C CA 1.411 60.233 59.018 -0.327 0.000 1.757 214 C CB -1.523 25.879 27.740 -0.563 0.000 1.962 214 C HN 0.580 nan 8.230 nan 0.000 0.499 215 N N -0.005 118.587 118.700 -0.180 0.000 2.171 215 N HA -0.141 4.599 4.740 0.001 0.000 0.184 215 N C 1.576 176.997 175.510 -0.149 0.000 1.021 215 N CA 1.651 54.583 53.050 -0.196 0.000 0.854 215 N CB -0.498 37.799 38.487 -0.317 0.000 0.994 215 N HN 0.704 nan 8.380 nan 0.000 0.426 216 H N -0.225 118.729 119.070 -0.194 0.000 2.289 216 H HA -0.054 4.502 4.556 0.001 0.000 0.296 216 H C 1.923 177.318 175.328 0.111 0.000 1.091 216 H CA 2.369 58.415 56.048 -0.003 0.000 1.274 216 H CB -0.137 29.665 29.762 0.066 0.000 1.364 216 H HN 0.237 nan 8.280 nan 0.000 0.490 217 I N 0.930 121.649 120.570 0.248 0.000 2.226 217 I HA -0.260 3.911 4.170 0.001 0.000 0.245 217 I C 2.676 178.868 176.117 0.125 0.000 1.100 217 I CA 1.351 62.757 61.300 0.176 0.000 1.374 217 I CB -0.364 37.669 38.000 0.054 0.000 1.057 217 I HN 0.370 nan 8.210 nan 0.000 0.413 218 K N 1.325 121.770 120.400 0.074 0.000 2.026 218 K HA -0.281 4.040 4.320 0.001 0.000 0.208 218 K C 2.308 178.964 176.600 0.094 0.000 1.048 218 K CA 1.839 58.160 56.287 0.056 0.000 0.929 218 K CB -0.924 31.587 32.500 0.019 0.000 0.713 218 K HN 0.302 nan 8.250 nan 0.000 0.439 219 Y N 1.460 121.779 120.300 0.033 0.000 2.128 219 Y HA -0.214 4.336 4.550 0.001 0.000 0.284 219 Y C 2.365 178.323 175.900 0.098 0.000 1.154 219 Y CA 2.473 60.623 58.100 0.083 0.000 1.149 219 Y CB -0.547 38.023 38.460 0.184 0.000 0.976 219 Y HN 0.233 nan 8.280 nan 0.000 0.505 220 A N -1.000 121.921 122.820 0.168 0.000 1.897 220 A HA -0.098 4.222 4.320 0.001 0.000 0.215 220 A C 2.193 179.811 177.584 0.057 0.000 1.181 220 A CA 1.957 54.064 52.037 0.117 0.000 0.620 220 A CB -1.206 17.959 19.000 0.275 0.000 0.821 220 A HN 0.504 nan 8.150 nan 0.000 0.443 221 T N -0.245 114.353 114.554 0.074 0.000 2.737 221 T HA -0.123 4.228 4.350 0.001 0.000 0.265 221 T C 1.027 175.731 174.700 0.006 0.000 1.038 221 T CA 1.069 63.206 62.100 0.062 0.000 1.144 221 T CB -0.547 68.359 68.868 0.064 0.000 0.866 221 T HN 0.741 nan 8.240 nan 0.000 0.434 222 N N 0.662 119.340 118.700 -0.037 0.000 2.727 222 N HA -0.287 4.454 4.740 0.001 0.000 0.249 222 N C -0.225 175.260 175.510 -0.041 0.000 1.048 222 N CA 0.369 53.375 53.050 -0.073 0.000 0.714 222 N CB -0.556 37.844 38.487 -0.145 0.000 0.959 222 N HN 0.389 nan 8.380 nan 0.000 0.544 223 R N -2.315 118.173 120.500 -0.020 0.000 3.953 223 R HA -0.244 4.096 4.340 0.001 0.000 0.340 223 R C 1.181 177.468 176.300 -0.022 0.000 1.195 223 R CA 1.512 57.601 56.100 -0.019 0.000 0.929 223 R CB -1.833 28.453 30.300 -0.025 0.000 1.402 223 R HN 0.890 nan 8.270 nan 0.000 0.540 224 G N -0.612 108.182 108.800 -0.010 0.000 2.284 224 G HA2 -0.293 3.668 3.960 0.001 0.000 0.201 224 G HA3 -0.293 3.668 3.960 0.001 0.000 0.201 224 G C -0.110 174.783 174.900 -0.012 0.000 0.998 224 G CA 0.010 45.107 45.100 -0.006 0.000 0.651 224 G HN 0.415 nan 8.290 nan 0.000 0.489 225 N N 1.231 119.911 118.700 -0.033 0.000 3.188 225 N HA 0.436 5.177 4.740 0.001 0.000 0.279 225 N C 0.133 175.617 175.510 -0.043 0.000 1.213 225 N CA -0.649 52.364 53.050 -0.061 0.000 1.138 225 N CB -0.050 38.395 38.487 -0.070 0.000 1.417 225 N HN 0.121 nan 8.380 nan 0.000 0.526 226 L N 2.323 123.552 121.223 0.010 0.000 2.514 226 L HA 0.096 4.437 4.340 0.001 0.000 0.280 226 L C 0.575 177.566 176.870 0.202 0.000 1.223 226 L CA 0.972 55.894 54.840 0.136 0.000 0.864 226 L CB 0.333 42.578 42.059 0.310 0.000 1.118 226 L HN 0.380 nan 8.230 nan 0.000 0.494 227 R N 1.398 122.005 120.500 0.178 0.000 2.628 227 R HA 0.465 4.806 4.340 0.001 0.000 0.288 227 R C -0.690 175.745 176.300 0.224 0.000 0.980 227 R CA -0.723 55.498 56.100 0.201 0.000 0.891 227 R CB 1.713 31.977 30.300 -0.059 0.000 1.188 227 R HN 0.556 nan 8.270 nan 0.000 0.450 228 S N 1.334 117.164 115.700 0.218 0.000 2.549 228 S HA 0.520 4.991 4.470 0.001 0.000 0.283 228 S C -0.275 174.355 174.600 0.051 0.000 1.320 228 S CA -0.249 57.978 58.200 0.046 0.000 1.058 228 S CB 1.254 64.415 63.200 -0.065 0.000 0.882 228 S HN 0.699 nan 8.310 nan 0.000 0.498 229 A N 2.528 125.345 122.820 -0.005 0.000 2.610 229 A HA 0.824 5.145 4.320 0.001 0.000 0.291 229 A C -1.367 176.250 177.584 0.054 0.000 1.086 229 A CA -0.662 51.314 52.037 -0.102 0.000 0.677 229 A CB 1.155 20.004 19.000 -0.252 0.000 1.278 229 A HN 0.792 nan 8.150 nan 0.000 0.414 230 I N 0.372 120.963 120.570 0.035 0.000 2.722 230 I HA 0.617 4.788 4.170 0.001 0.000 0.295 230 I C -1.104 175.119 176.117 0.177 0.000 1.161 230 I CA -0.146 61.303 61.300 0.248 0.000 1.032 230 I CB 2.419 40.507 38.000 0.147 0.000 1.244 230 I HN 0.625 nan 8.210 nan 0.000 0.421 231 T N 6.230 120.928 114.554 0.240 0.000 2.779 231 T HA 0.453 4.804 4.350 0.001 0.000 0.280 231 T C -0.678 173.810 174.700 -0.354 0.000 0.987 231 T CA -0.384 61.681 62.100 -0.058 0.000 0.966 231 T CB 1.585 70.382 68.868 -0.117 0.000 0.933 231 T HN 0.261 nan 8.240 nan 0.000 0.442 232 V N 5.005 124.635 119.914 -0.473 0.000 2.328 232 V HA 0.448 4.569 4.120 0.001 0.000 0.278 232 V C -0.443 175.318 176.094 -0.556 0.000 1.021 232 V CA -0.781 61.252 62.300 -0.445 0.000 0.838 232 V CB -0.163 31.382 31.823 -0.463 0.000 0.999 232 V HN 0.706 nan 8.190 nan 0.000 0.447 233 F N 5.286 125.158 119.950 -0.129 0.000 2.368 233 F HA 0.515 5.043 4.527 0.001 0.000 0.315 233 F C -1.822 173.882 175.800 -0.161 0.000 1.145 233 F CA -2.581 55.276 58.000 -0.238 0.000 1.095 233 F CB 0.242 39.112 39.000 -0.216 0.000 1.286 233 F HN 0.286 nan 8.300 nan 0.000 0.530 234 P HA -0.017 nan 4.420 nan 0.000 0.264 234 P C -0.890 176.438 177.300 0.047 0.000 1.183 234 P CA -0.111 62.914 63.100 -0.126 0.000 0.763 234 P CB 0.206 31.653 31.700 -0.422 0.000 0.807 235 Q N 3.835 123.625 119.800 -0.017 0.000 2.540 235 Q HA 0.071 4.411 4.340 0.001 0.000 0.256 235 Q C -0.200 175.718 176.000 -0.136 0.000 1.084 235 Q CA -0.134 55.434 55.803 -0.392 0.000 0.956 235 Q CB 0.450 28.712 28.738 -0.793 0.000 1.303 235 Q HN 0.360 nan 8.270 nan 0.000 0.509 236 R N 0.149 120.540 120.500 -0.182 0.000 2.643 236 R HA 0.437 4.778 4.340 0.001 0.000 0.270 236 R C -0.640 175.609 176.300 -0.085 0.000 1.061 236 R CA 0.250 56.308 56.100 -0.071 0.000 1.107 236 R CB 0.542 30.793 30.300 -0.082 0.000 0.999 236 R HN 0.720 nan 8.270 nan 0.000 0.460 237 A N 3.563 126.371 122.820 -0.020 0.000 2.393 237 A HA 0.439 4.760 4.320 0.001 0.000 0.306 237 A C -1.853 175.728 177.584 -0.006 0.000 1.050 237 A CA -1.564 50.465 52.037 -0.013 0.000 0.724 237 A CB 1.537 20.555 19.000 0.031 0.000 1.248 237 A HN 0.469 nan 8.150 nan 0.000 0.424 238 P HA -0.147 nan 4.420 nan 0.000 0.216 238 P C 1.428 178.731 177.300 0.005 0.000 1.150 238 P CA 2.050 65.148 63.100 -0.003 0.000 0.843 238 P CB 0.067 31.767 31.700 -0.000 0.000 0.787 239 G N -0.511 108.297 108.800 0.013 0.000 2.679 239 G HA2 -0.023 3.938 3.960 0.001 0.000 0.212 239 G HA3 -0.023 3.938 3.960 0.001 0.000 0.212 239 G C 0.735 175.644 174.900 0.015 0.000 1.137 239 G CA 0.150 45.260 45.100 0.017 0.000 0.787 239 G HN 0.440 nan 8.290 nan 0.000 0.534 240 R N -2.667 117.840 120.500 0.012 0.000 2.829 240 R HA 0.611 4.952 4.340 0.001 0.000 0.267 240 R C 0.256 176.554 176.300 -0.003 0.000 1.051 240 R CA -0.408 55.694 56.100 0.003 0.000 0.927 240 R CB -0.075 30.226 30.300 0.001 0.000 1.292 240 R HN 0.019 nan 8.270 nan 0.000 0.445 241 G N -0.258 108.531 108.800 -0.019 0.000 2.651 241 G HA2 0.299 4.260 3.960 0.001 0.000 0.260 241 G HA3 0.299 4.260 3.960 0.001 0.000 0.260 241 G C -0.942 173.940 174.900 -0.030 0.000 1.216 241 G CA -0.414 44.674 45.100 -0.021 0.000 0.913 241 G HN 0.528 nan 8.290 nan 0.000 0.535 242 D N -0.780 119.618 120.400 -0.003 0.000 2.229 242 D HA 0.330 4.971 4.640 0.001 0.000 0.249 242 D C -0.273 176.028 176.300 0.001 0.000 1.027 242 D CA -0.132 53.897 54.000 0.050 0.000 0.923 242 D CB 1.218 42.069 40.800 0.085 0.000 1.174 242 D HN 0.099 nan 8.370 nan 0.000 0.443 243 F N 1.561 121.549 119.950 0.062 0.000 2.504 243 F HA 0.197 4.725 4.527 0.001 0.000 0.369 243 F C 1.214 177.064 175.800 0.083 0.000 1.082 243 F CA 0.231 58.263 58.000 0.053 0.000 1.216 243 F CB 0.431 39.459 39.000 0.046 0.000 1.108 243 F HN -0.195 nan 8.300 nan 0.000 0.554 244 R N 3.635 124.279 120.500 0.242 0.000 2.725 244 R HA 0.531 4.871 4.340 0.001 0.000 0.277 244 R C -1.202 175.262 176.300 0.272 0.000 0.987 244 R CA -1.064 55.195 56.100 0.266 0.000 0.901 244 R CB 2.204 32.699 30.300 0.324 0.000 1.207 244 R HN 0.577 nan 8.270 nan 0.000 0.463 245 I N 1.732 122.452 120.570 0.249 0.000 2.321 245 I HA 0.182 4.353 4.170 0.001 0.000 0.291 245 I C 0.530 176.882 176.117 0.391 0.000 0.998 245 I CA -0.277 61.170 61.300 0.246 0.000 1.227 245 I CB 1.114 39.199 38.000 0.140 0.000 1.368 245 I HN 0.522 nan 8.210 nan 0.000 0.466 246 W N 3.324 124.686 121.300 0.102 0.000 2.476 246 W HA -0.013 4.648 4.660 0.002 0.000 0.281 246 W C 0.891 177.541 176.519 0.219 0.000 1.230 246 W CA -0.005 57.479 57.345 0.231 0.000 1.287 246 W CB -0.818 28.748 29.460 0.176 0.000 1.108 246 W HN 0.387 nan 8.180 nan 0.000 0.567 247 N N 0.111 118.987 118.700 0.294 0.000 2.441 247 N HA -0.004 4.736 4.740 0.001 0.000 0.251 247 N C 1.291 176.875 175.510 0.125 0.000 1.242 247 N CA 0.903 54.043 53.050 0.149 0.000 0.898 247 N CB 0.670 39.179 38.487 0.038 0.000 1.100 247 N HN -0.088 nan 8.380 nan 0.000 0.443 248 S N 0.512 116.273 115.700 0.102 0.000 2.446 248 S HA 0.003 4.474 4.470 0.001 0.000 0.225 248 S C 0.335 174.939 174.600 0.006 0.000 1.016 248 S CA 0.518 58.764 58.200 0.077 0.000 0.943 248 S CB 0.083 63.345 63.200 0.104 0.000 0.786 248 S HN 0.639 nan 8.310 nan 0.000 0.508 249 Q N -0.647 119.141 119.800 -0.020 0.000 2.456 249 Q HA 0.514 4.855 4.340 0.001 0.000 0.283 249 Q C 0.230 176.150 176.000 -0.133 0.000 1.084 249 Q CA -0.602 55.146 55.803 -0.092 0.000 0.801 249 Q CB 1.922 30.627 28.738 -0.056 0.000 1.434 249 Q HN 0.100 nan 8.270 nan 0.000 0.419 250 L N 0.123 121.238 121.223 -0.180 0.000 2.141 250 L HA 0.011 4.351 4.340 0.001 0.000 0.209 250 L C 0.406 177.124 176.870 -0.253 0.000 1.094 250 L CA 0.846 55.580 54.840 -0.177 0.000 0.763 250 L CB 0.143 42.094 42.059 -0.180 0.000 0.908 250 L HN 0.284 nan 8.230 nan 0.000 0.437 251 V N 0.895 120.554 119.914 -0.425 0.000 2.384 251 V HA 0.457 4.578 4.120 0.001 0.000 0.287 251 V C -0.211 175.386 176.094 -0.827 0.000 1.020 251 V CA -0.682 61.185 62.300 -0.722 0.000 0.850 251 V CB 1.589 32.722 31.823 -1.151 0.000 0.987 251 V HN 0.166 nan 8.190 nan 0.000 0.436 252 R N 2.912 123.064 120.500 -0.580 0.000 2.604 252 R HA 0.485 4.826 4.340 0.001 0.000 0.281 252 R C -1.736 174.377 176.300 -0.312 0.000 1.020 252 R CA -0.754 55.138 56.100 -0.347 0.000 0.899 252 R CB 2.445 32.650 30.300 -0.157 0.000 1.205 252 R HN 0.589 nan 8.270 nan 0.000 0.450 253 Y N 0.533 120.834 120.300 0.002 0.000 2.299 253 Y HA 0.403 4.954 4.550 0.001 0.000 0.326 253 Y C 1.027 176.886 175.900 -0.069 0.000 1.164 253 Y CA -0.487 57.620 58.100 0.011 0.000 1.234 253 Y CB 1.090 39.624 38.460 0.122 0.000 1.219 253 Y HN 0.661 nan 8.280 nan 0.000 0.497 254 A N 1.641 124.484 122.820 0.038 0.000 2.425 254 A HA 0.546 4.867 4.320 0.001 0.000 0.242 254 A C 0.601 177.961 177.584 -0.374 0.000 1.077 254 A CA 0.236 52.131 52.037 -0.236 0.000 0.781 254 A CB -0.227 18.537 19.000 -0.393 0.000 1.020 254 A HN 0.951 nan 8.150 nan 0.000 0.494 255 G N 0.636 109.204 108.800 -0.387 0.000 2.814 255 G HA2 0.533 4.493 3.960 0.001 0.000 0.300 255 G HA3 0.533 4.493 3.960 0.001 0.000 0.300 255 G C -1.166 173.595 174.900 -0.231 0.000 1.406 255 G CA -0.227 44.696 45.100 -0.295 0.000 1.041 255 G HN 0.480 nan 8.290 nan 0.000 0.532 256 Y N 0.965 121.282 120.300 0.030 0.000 2.367 256 Y HA 0.374 4.924 4.550 0.001 0.000 0.342 256 Y C 1.104 177.009 175.900 0.009 0.000 0.979 256 Y CA -1.401 56.718 58.100 0.033 0.000 1.161 256 Y CB 1.506 39.986 38.460 0.033 0.000 1.155 256 Y HN 0.536 nan 8.280 nan 0.000 0.503 257 R N 3.398 123.988 120.500 0.150 0.000 4.154 257 R HA 0.080 4.421 4.340 0.001 0.000 0.186 257 R C -0.285 176.058 176.300 0.073 0.000 1.750 257 R CA -0.087 56.063 56.100 0.084 0.000 1.431 257 R CB -0.368 29.970 30.300 0.063 0.000 1.383 257 R HN 0.754 nan 8.270 nan 0.000 0.788 258 Q N 1.205 121.049 119.800 0.073 0.000 2.469 258 Q HA -0.166 4.174 4.340 0.001 0.000 0.279 258 Q C 1.016 177.031 176.000 0.025 0.000 1.097 258 Q CA 0.482 56.310 55.803 0.041 0.000 0.951 258 Q CB 0.624 29.384 28.738 0.035 0.000 1.297 258 Q HN 0.535 nan 8.270 nan 0.000 0.465 259 Q N 1.415 121.223 119.800 0.012 0.000 1.954 259 Q HA -0.286 4.055 4.340 0.001 0.000 0.222 259 Q C 0.566 176.572 176.000 0.010 0.000 1.053 259 Q CA 2.098 57.905 55.803 0.007 0.000 0.900 259 Q CB -0.485 28.253 28.738 0.000 0.000 1.021 259 Q HN 0.735 nan 8.270 nan 0.000 0.423 260 D N -0.076 120.330 120.400 0.009 0.000 2.801 260 D HA 0.002 4.642 4.640 0.001 0.000 0.249 260 D C 1.056 177.363 176.300 0.012 0.000 1.273 260 D CA 0.890 54.895 54.000 0.009 0.000 0.953 260 D CB -0.558 40.246 40.800 0.007 0.000 1.134 260 D HN 0.624 nan 8.370 nan 0.000 0.449 261 G N 0.089 108.898 108.800 0.015 0.000 2.480 261 G HA2 -0.393 3.568 3.960 0.001 0.000 0.246 261 G HA3 -0.393 3.568 3.960 0.001 0.000 0.246 261 G C 0.684 175.595 174.900 0.019 0.000 1.073 261 G CA 0.592 45.702 45.100 0.017 0.000 0.643 261 G HN 0.645 nan 8.290 nan 0.000 0.525 262 S N -0.961 114.749 115.700 0.017 0.000 2.639 262 S HA 0.312 4.783 4.470 0.001 0.000 0.252 262 S C 0.356 174.966 174.600 0.016 0.000 1.413 262 S CA 0.814 59.023 58.200 0.015 0.000 0.974 262 S CB 0.526 63.734 63.200 0.014 0.000 0.899 262 S HN 1.252 nan 8.310 nan 0.000 0.562 263 V N 2.100 122.016 119.914 0.003 0.000 2.733 263 V HA 0.483 4.604 4.120 0.001 0.000 0.306 263 V C -0.286 175.795 176.094 -0.022 0.000 1.084 263 V CA -0.828 61.468 62.300 -0.006 0.000 0.905 263 V CB 1.905 33.704 31.823 -0.041 0.000 1.010 263 V HN 0.876 nan 8.190 nan 0.000 0.424 264 R N 2.905 123.419 120.500 0.025 0.000 2.368 264 R HA 0.782 5.123 4.340 0.001 0.000 0.302 264 R C 0.524 176.778 176.300 -0.078 0.000 1.002 264 R CA 1.058 57.170 56.100 0.020 0.000 0.929 264 R CB 1.268 31.649 30.300 0.136 0.000 1.073 264 R HN 1.413 nan 8.270 nan 0.000 0.464 265 G N 2.593 111.275 108.800 -0.197 0.000 2.484 265 G HA2 -0.243 3.718 3.960 0.001 0.000 0.225 265 G HA3 -0.243 3.718 3.960 0.001 0.000 0.225 265 G C -1.326 173.194 174.900 -0.633 0.000 1.250 265 G CA 0.002 44.904 45.100 -0.329 0.000 0.926 265 G HN 0.709 nan 8.290 nan 0.000 0.581 266 D N 1.508 121.649 120.400 -0.432 0.000 2.396 266 D HA 0.566 5.207 4.640 0.001 0.000 0.225 266 D C -1.041 175.142 176.300 -0.196 0.000 1.121 266 D CA -2.056 51.709 54.000 -0.393 0.000 0.853 266 D CB 1.397 42.262 40.800 0.108 0.000 1.043 266 D HN 0.002 nan 8.370 nan 0.000 0.500 267 P HA -0.044 nan 4.420 nan 0.000 0.225 267 P C 0.863 178.154 177.300 -0.014 0.000 1.148 267 P CA 0.630 63.678 63.100 -0.086 0.000 0.779 267 P CB 0.245 31.906 31.700 -0.065 0.000 0.780 268 A N -0.367 122.457 122.820 0.007 0.000 2.121 268 A HA -0.101 4.220 4.320 0.001 0.000 0.218 268 A C 1.476 179.101 177.584 0.068 0.000 1.154 268 A CA 1.231 53.305 52.037 0.062 0.000 0.679 268 A CB -0.765 18.293 19.000 0.097 0.000 0.795 268 A HN 0.151 nan 8.150 nan 0.000 0.458 269 N N -0.581 118.140 118.700 0.036 0.000 2.282 269 N HA 0.162 4.903 4.740 0.001 0.000 0.240 269 N C 0.932 176.435 175.510 -0.010 0.000 1.182 269 N CA 0.082 53.146 53.050 0.023 0.000 0.874 269 N CB 0.796 39.292 38.487 0.015 0.000 1.126 269 N HN 0.163 nan 8.380 nan 0.000 0.516 270 V N 0.958 120.872 119.914 0.001 0.000 2.295 270 V HA -0.212 3.909 4.120 0.001 0.000 0.246 270 V C 2.464 178.565 176.094 0.011 0.000 1.049 270 V CA 1.802 64.104 62.300 0.003 0.000 1.024 270 V CB -0.195 31.640 31.823 0.020 0.000 0.648 270 V HN 0.412 nan 8.190 nan 0.000 0.447 271 E N -0.160 120.052 120.200 0.021 0.000 2.047 271 E HA -0.251 4.100 4.350 0.001 0.000 0.191 271 E C 2.210 178.744 176.600 -0.111 0.000 0.987 271 E CA 1.704 58.097 56.400 -0.010 0.000 0.799 271 E CB -0.163 29.580 29.700 0.071 0.000 0.752 271 E HN 0.476 nan 8.360 nan 0.000 0.449 272 I N 1.131 121.640 120.570 -0.102 0.000 2.286 272 I HA -0.220 3.951 4.170 0.001 0.000 0.248 272 I C 2.126 178.178 176.117 -0.108 0.000 1.115 272 I CA 1.546 62.748 61.300 -0.164 0.000 1.392 272 I CB -0.407 37.548 38.000 -0.075 0.000 1.065 272 I HN 0.100 nan 8.210 nan 0.000 0.418 273 T N 0.170 114.688 114.554 -0.060 0.000 2.684 273 T HA -0.230 4.121 4.350 0.001 0.000 0.267 273 T C 1.799 176.566 174.700 0.110 0.000 1.036 273 T CA 1.937 64.039 62.100 0.005 0.000 1.148 273 T CB -0.299 68.577 68.868 0.012 0.000 0.863 273 T HN 0.457 nan 8.240 nan 0.000 0.436 274 E N 0.455 120.695 120.200 0.067 0.000 2.058 274 E HA -0.080 4.271 4.350 0.001 0.000 0.194 274 E C 2.219 178.856 176.600 0.062 0.000 0.997 274 E CA 0.908 57.355 56.400 0.077 0.000 0.801 274 E CB -0.270 29.450 29.700 0.034 0.000 0.746 274 E HN 0.411 nan 8.360 nan 0.000 0.450 275 L N 0.136 121.354 121.223 -0.008 0.000 2.046 275 L HA -0.249 4.092 4.340 0.001 0.000 0.208 275 L C 2.610 179.581 176.870 0.168 0.000 1.077 275 L CA 0.735 55.609 54.840 0.056 0.000 0.747 275 L CB -0.411 41.584 42.059 -0.107 0.000 0.896 275 L HN 0.347 nan 8.230 nan 0.000 0.432 276 C N -0.061 119.281 119.300 0.069 0.000 2.413 276 C HA -0.180 4.281 4.460 0.001 0.000 0.276 276 C C 2.746 177.912 174.990 0.293 0.000 1.236 276 C CA 0.628 59.696 59.018 0.083 0.000 1.735 276 C CB -0.607 27.056 27.740 -0.128 0.000 2.031 276 C HN 0.411 nan 8.230 nan 0.000 0.474 277 I N 0.564 121.351 120.570 0.362 0.000 2.142 277 I HA -0.297 3.874 4.170 0.001 0.000 0.240 277 I C 2.829 179.030 176.117 0.139 0.000 1.078 277 I CA 2.012 63.492 61.300 0.299 0.000 1.343 277 I CB -0.691 37.448 38.000 0.232 0.000 1.046 277 I HN 0.476 nan 8.210 nan 0.000 0.405 278 Q N 0.563 120.414 119.800 0.085 0.000 2.248 278 Q HA -0.273 4.068 4.340 0.001 0.000 0.208 278 Q C 0.928 176.853 176.000 -0.126 0.000 0.984 278 Q CA 1.854 57.635 55.803 -0.037 0.000 0.875 278 Q CB -0.198 28.491 28.738 -0.082 0.000 0.910 278 Q HN 0.609 nan 8.270 nan 0.000 0.433 279 H N -1.436 117.629 119.070 -0.009 0.000 2.524 279 H HA 0.320 4.877 4.556 0.001 0.000 0.299 279 H C 0.499 175.807 175.328 -0.034 0.000 1.074 279 H CA 0.550 56.564 56.048 -0.055 0.000 1.115 279 H CB 0.818 30.503 29.762 -0.128 0.000 1.522 279 H HN 0.508 nan 8.280 nan 0.000 0.543 280 G N -0.253 108.592 108.800 0.074 0.000 2.159 280 G HA2 -0.268 3.693 3.960 0.001 0.000 0.227 280 G HA3 -0.268 3.693 3.960 0.001 0.000 0.227 280 G C -0.005 174.961 174.900 0.111 0.000 0.986 280 G CA -0.139 44.990 45.100 0.048 0.000 0.651 280 G HN 0.418 nan 8.290 nan 0.000 0.523 281 W N 2.246 123.528 121.300 -0.030 0.000 2.238 281 W HA 0.633 5.294 4.660 0.001 0.000 0.321 281 W C 0.320 176.832 176.519 -0.010 0.000 1.293 281 W CA 0.232 57.563 57.345 -0.024 0.000 1.204 281 W CB 0.856 30.310 29.460 -0.010 0.000 1.167 281 W HN 0.030 nan 8.180 nan 0.000 0.553 282 T N 9.564 123.762 114.554 -0.592 0.000 2.782 282 T HA 0.170 4.521 4.350 0.001 0.000 0.298 282 T C -2.090 171.835 174.700 -1.292 0.000 0.944 282 T CA -0.863 60.826 62.100 -0.685 0.000 1.001 282 T CB 0.106 68.747 68.868 -0.379 0.000 0.932 282 T HN 0.207 nan 8.240 nan 0.000 0.524 283 P HA 0.269 nan 4.420 nan 0.000 0.275 283 P C 0.592 177.509 177.300 -0.637 0.000 1.228 283 P CA -0.287 62.028 63.100 -1.309 0.000 0.786 283 P CB 0.834 32.162 31.700 -0.620 0.000 0.927 284 G N 1.545 110.170 108.800 -0.291 0.000 2.504 284 G HA2 0.190 4.151 3.960 0.001 0.000 0.257 284 G HA3 0.190 4.151 3.960 0.001 0.000 0.257 284 G C 0.406 175.164 174.900 -0.236 0.000 1.451 284 G CA -0.319 44.738 45.100 -0.073 0.000 1.059 284 G HN 0.724 nan 8.290 nan 0.000 0.550 285 N N -1.024 117.639 118.700 -0.062 0.000 2.261 285 N HA 0.168 4.909 4.740 0.001 0.000 0.241 285 N C 0.356 175.933 175.510 0.113 0.000 1.374 285 N CA 0.299 53.265 53.050 -0.140 0.000 0.802 285 N CB 0.116 38.498 38.487 -0.176 0.000 1.339 285 N HN 0.673 nan 8.380 nan 0.000 0.498 286 G N 0.130 109.082 108.800 0.253 0.000 2.532 286 G HA2 0.312 4.273 3.960 0.001 0.000 0.291 286 G HA3 0.312 4.273 3.960 0.001 0.000 0.291 286 G C 0.440 175.447 174.900 0.178 0.000 1.349 286 G CA -0.476 44.746 45.100 0.203 0.000 1.038 286 G HN 0.086 nan 8.290 nan 0.000 0.518 287 R N -1.280 119.245 120.500 0.042 0.000 2.254 287 R HA 0.147 4.488 4.340 0.001 0.000 0.195 287 R C -0.160 175.779 176.300 -0.601 0.000 0.957 287 R CA 0.344 56.302 56.100 -0.237 0.000 1.024 287 R CB 0.064 30.170 30.300 -0.322 0.000 0.952 287 R HN 0.415 nan 8.270 nan 0.000 0.484 288 F N 0.772 120.687 119.950 -0.059 0.000 2.623 288 F HA 0.263 4.790 4.527 0.001 0.000 0.361 288 F C -0.676 175.136 175.800 0.021 0.000 1.469 288 F CA -1.121 56.621 58.000 -0.430 0.000 1.126 288 F CB 0.694 39.256 39.000 -0.729 0.000 1.221 288 F HN -0.358 nan 8.300 nan 0.000 0.536 289 D N 1.602 122.183 120.400 0.302 0.000 2.316 289 D HA 0.186 4.827 4.640 0.001 0.000 0.245 289 D C 0.205 176.737 176.300 0.387 0.000 1.171 289 D CA 0.101 54.325 54.000 0.373 0.000 0.856 289 D CB 2.227 43.288 40.800 0.436 0.000 1.090 289 D HN -0.070 nan 8.370 nan 0.000 0.476 290 V N 4.078 124.190 119.914 0.330 0.000 2.493 290 V HA -0.030 4.091 4.120 0.001 0.000 0.292 290 V C 1.026 177.111 176.094 -0.015 0.000 1.016 290 V CA -0.149 62.219 62.300 0.113 0.000 1.097 290 V CB 0.023 31.878 31.823 0.054 0.000 0.947 290 V HN 0.337 nan 8.190 nan 0.000 0.479 291 L N 8.501 129.615 121.223 -0.182 0.000 2.452 291 L HA 0.314 4.655 4.340 0.001 0.000 0.267 291 L C -1.577 175.050 176.870 -0.405 0.000 1.188 291 L CA -1.374 53.201 54.840 -0.442 0.000 0.821 291 L CB 0.686 42.499 42.059 -0.410 0.000 1.102 291 L HN 0.477 nan 8.230 nan 0.000 0.470 292 P HA 0.180 nan 4.420 nan 0.000 0.276 292 P C -1.003 176.142 177.300 -0.258 0.000 1.261 292 P CA -0.453 62.426 63.100 -0.367 0.000 0.800 292 P CB 0.840 32.252 31.700 -0.480 0.000 1.066 293 L N 0.797 121.953 121.223 -0.112 0.000 2.334 293 L HA 0.361 4.702 4.340 0.001 0.000 0.277 293 L C 0.499 177.331 176.870 -0.064 0.000 1.075 293 L CA -0.744 54.069 54.840 -0.044 0.000 0.804 293 L CB 0.452 42.557 42.059 0.078 0.000 1.174 293 L HN 0.209 nan 8.230 nan 0.000 0.438 294 L N 5.207 126.373 121.223 -0.096 0.000 2.277 294 L HA 0.456 4.797 4.340 0.001 0.000 0.284 294 L C -0.635 176.122 176.870 -0.188 0.000 1.028 294 L CA -0.218 54.478 54.840 -0.239 0.000 0.835 294 L CB 0.840 42.668 42.059 -0.385 0.000 1.215 294 L HN 0.439 nan 8.230 nan 0.000 0.425 295 L N 4.032 125.190 121.223 -0.109 0.000 2.322 295 L HA 0.537 4.878 4.340 0.001 0.000 0.281 295 L C -0.352 176.457 176.870 -0.102 0.000 1.014 295 L CA -0.431 54.389 54.840 -0.034 0.000 0.815 295 L CB 1.942 44.030 42.059 0.048 0.000 1.247 295 L HN 0.550 nan 8.230 nan 0.000 0.421 296 Q N 2.343 122.112 119.800 -0.053 0.000 2.310 296 Q HA 0.686 5.027 4.340 0.001 0.000 0.270 296 Q C -1.134 174.833 176.000 -0.055 0.000 1.025 296 Q CA -0.571 55.197 55.803 -0.059 0.000 0.772 296 Q CB 2.269 31.042 28.738 0.059 0.000 1.253 296 Q HN 0.796 nan 8.270 nan 0.000 0.450 297 A N 4.892 127.631 122.820 -0.136 0.000 2.302 297 A HA 0.652 4.973 4.320 0.001 0.000 0.285 297 A C -2.427 174.922 177.584 -0.391 0.000 1.105 297 A CA -1.586 50.232 52.037 -0.365 0.000 0.816 297 A CB 0.196 19.078 19.000 -0.197 0.000 1.067 297 A HN 0.600 nan 8.150 nan 0.000 0.489 298 P HA 0.051 nan 4.420 nan 0.000 0.262 298 P C -0.556 176.645 177.300 -0.165 0.000 1.182 298 P CA 0.779 63.667 63.100 -0.353 0.000 0.761 298 P CB 0.174 31.650 31.700 -0.373 0.000 0.795 299 D N -0.066 120.286 120.400 -0.080 0.000 2.911 299 D HA -0.164 4.477 4.640 0.001 0.000 0.227 299 D C -0.035 176.252 176.300 -0.023 0.000 1.164 299 D CA 1.340 55.322 54.000 -0.030 0.000 0.782 299 D CB -0.533 40.249 40.800 -0.029 0.000 1.094 299 D HN 0.456 nan 8.370 nan 0.000 0.425 300 E N -0.724 119.456 120.200 -0.034 0.000 2.312 300 E HA 0.676 5.027 4.350 0.001 0.000 0.267 300 E C 0.040 176.628 176.600 -0.020 0.000 0.894 300 E CA -0.735 55.648 56.400 -0.029 0.000 0.773 300 E CB 1.612 31.281 29.700 -0.052 0.000 1.241 300 E HN 0.119 nan 8.360 nan 0.000 0.432 301 A N 3.055 125.862 122.820 -0.021 0.000 2.520 301 A HA 0.289 4.609 4.320 0.001 0.000 0.235 301 A C -1.963 175.507 177.584 -0.191 0.000 1.065 301 A CA -0.652 51.355 52.037 -0.051 0.000 0.764 301 A CB -0.628 18.370 19.000 -0.002 0.000 1.002 301 A HN 0.266 nan 8.150 nan 0.000 0.502 302 P HA 0.244 nan 4.420 nan 0.000 0.272 302 P C -0.642 176.385 177.300 -0.454 0.000 1.223 302 P CA 0.037 62.769 63.100 -0.612 0.000 0.784 302 P CB 0.714 31.587 31.700 -1.378 0.000 0.923 303 E N 0.458 120.458 120.200 -0.334 0.000 2.227 303 E HA 0.436 4.787 4.350 0.001 0.000 0.268 303 E C -0.868 175.445 176.600 -0.478 0.000 0.907 303 E CA -1.046 55.134 56.400 -0.367 0.000 0.786 303 E CB 1.406 30.902 29.700 -0.339 0.000 1.191 303 E HN 0.246 nan 8.360 nan 0.000 0.411 304 L N 3.258 124.131 121.223 -0.584 0.000 2.278 304 L HA 0.354 4.695 4.340 0.001 0.000 0.287 304 L C -1.548 174.852 176.870 -0.783 0.000 1.072 304 L CA 0.307 54.848 54.840 -0.498 0.000 0.819 304 L CB -0.101 41.786 42.059 -0.287 0.000 1.176 304 L HN 0.411 nan 8.230 nan 0.000 0.435 305 F N 4.096 123.820 119.950 -0.377 0.000 2.518 305 F HA 0.436 4.964 4.527 0.001 0.000 0.323 305 F C -0.128 175.420 175.800 -0.420 0.000 1.129 305 F CA -0.934 56.696 58.000 -0.616 0.000 0.920 305 F CB 1.673 39.909 39.000 -1.274 0.000 1.160 305 F HN -0.030 nan 8.300 nan 0.000 0.440 306 V N 5.193 125.031 119.914 -0.127 0.000 2.432 306 V HA 0.213 4.334 4.120 0.001 0.000 0.271 306 V C 0.273 176.461 176.094 0.156 0.000 1.046 306 V CA -0.627 61.683 62.300 0.016 0.000 0.945 306 V CB 0.928 32.793 31.823 0.070 0.000 0.992 306 V HN 0.540 nan 8.190 nan 0.000 0.471 307 L N 7.903 129.242 121.223 0.194 0.000 2.453 307 L HA 0.240 4.581 4.340 0.001 0.000 0.272 307 L C -2.011 174.966 176.870 0.180 0.000 1.182 307 L CA -1.387 53.611 54.840 0.263 0.000 0.858 307 L CB 0.276 42.419 42.059 0.141 0.000 1.120 307 L HN 0.448 nan 8.230 nan 0.000 0.474 308 P HA 0.074 nan 4.420 nan 0.000 0.265 308 P C -2.067 175.278 177.300 0.074 0.000 1.222 308 P CA -1.034 62.131 63.100 0.109 0.000 0.767 308 P CB 0.374 32.126 31.700 0.085 0.000 0.801 309 P HA -0.235 nan 4.420 nan 0.000 0.217 309 P C 1.431 178.759 177.300 0.045 0.000 1.148 309 P CA 1.355 64.492 63.100 0.062 0.000 0.828 309 P CB -0.185 31.555 31.700 0.067 0.000 0.783 310 E N 0.051 120.275 120.200 0.040 0.000 2.265 310 E HA -0.164 4.186 4.350 0.001 0.000 0.196 310 E C 1.713 178.326 176.600 0.022 0.000 0.996 310 E CA 1.102 57.518 56.400 0.028 0.000 0.832 310 E CB -1.089 28.626 29.700 0.024 0.000 0.756 310 E HN 0.312 nan 8.360 nan 0.000 0.491 311 L N 1.071 122.307 121.223 0.023 0.000 2.446 311 L HA 0.077 4.418 4.340 0.001 0.000 0.219 311 L C 0.597 177.476 176.870 0.016 0.000 1.116 311 L CA 0.024 54.872 54.840 0.013 0.000 0.844 311 L CB 0.615 42.673 42.059 -0.001 0.000 0.970 311 L HN -0.080 nan 8.230 nan 0.000 0.457 312 V N 1.838 121.763 119.914 0.019 0.000 2.270 312 V HA 0.138 4.259 4.120 0.001 0.000 0.263 312 V C 0.030 176.147 176.094 0.037 0.000 1.066 312 V CA -0.564 61.745 62.300 0.016 0.000 0.857 312 V CB 1.032 32.853 31.823 -0.003 0.000 1.099 312 V HN 0.037 nan 8.190 nan 0.000 0.476 313 L N 5.164 126.415 121.223 0.045 0.000 2.410 313 L HA 0.397 4.738 4.340 0.001 0.000 0.273 313 L C 0.227 177.132 176.870 0.057 0.000 1.144 313 L CA 0.898 55.761 54.840 0.037 0.000 0.863 313 L CB 0.261 42.338 42.059 0.030 0.000 1.140 313 L HN 0.634 nan 8.230 nan 0.000 0.463 314 E N 3.278 123.490 120.200 0.020 0.000 2.277 314 E HA 0.602 4.953 4.350 0.001 0.000 0.266 314 E C -1.474 175.071 176.600 -0.091 0.000 0.901 314 E CA -0.981 55.430 56.400 0.017 0.000 0.782 314 E CB 2.484 32.217 29.700 0.055 0.000 1.228 314 E HN 0.367 nan 8.360 nan 0.000 0.424 315 V N 3.174 123.007 119.914 -0.135 0.000 2.380 315 V HA 0.292 4.413 4.120 0.001 0.000 0.286 315 V C -2.325 173.698 176.094 -0.118 0.000 1.015 315 V CA -1.850 60.306 62.300 -0.239 0.000 0.834 315 V CB 1.196 32.642 31.823 -0.628 0.000 1.009 315 V HN 0.541 nan 8.190 nan 0.000 0.428 316 P HA 0.251 nan 4.420 nan 0.000 0.271 316 P C -0.741 176.556 177.300 -0.004 0.000 1.216 316 P CA -0.079 62.983 63.100 -0.064 0.000 0.771 316 P CB 1.189 32.861 31.700 -0.047 0.000 0.864 317 L N 3.391 124.649 121.223 0.057 0.000 2.275 317 L HA 0.383 4.724 4.340 0.001 0.000 0.288 317 L C 1.172 178.188 176.870 0.243 0.000 1.046 317 L CA -0.300 54.634 54.840 0.157 0.000 0.805 317 L CB 0.619 42.833 42.059 0.258 0.000 1.193 317 L HN 0.499 nan 8.230 nan 0.000 0.426 318 E N 2.165 122.461 120.200 0.160 0.000 2.378 318 E HA 0.448 4.799 4.350 0.001 0.000 0.265 318 E C -1.213 175.370 176.600 -0.028 0.000 0.932 318 E CA -0.928 55.568 56.400 0.161 0.000 0.795 318 E CB 2.280 32.072 29.700 0.154 0.000 1.296 318 E HN 0.453 nan 8.360 nan 0.000 0.438 319 H N 1.122 120.019 119.070 -0.289 0.000 2.492 319 H HA 0.244 4.801 4.556 0.001 0.000 0.345 319 H C -1.891 173.070 175.328 -0.611 0.000 1.136 319 H CA -2.452 53.267 56.048 -0.548 0.000 1.202 319 H CB 2.094 31.451 29.762 -0.676 0.000 1.524 319 H HN 0.411 nan 8.280 nan 0.000 0.506 320 P HA -0.108 nan 4.420 nan 0.000 0.220 320 P C 0.873 178.010 177.300 -0.272 0.000 1.148 320 P CA 1.637 64.210 63.100 -0.879 0.000 0.803 320 P CB 0.404 31.636 31.700 -0.780 0.000 0.782 321 T N -5.262 109.324 114.554 0.054 0.000 2.993 321 T HA 0.229 4.580 4.350 0.001 0.000 0.260 321 T C 0.605 175.271 174.700 -0.057 0.000 0.939 321 T CA -0.234 61.882 62.100 0.026 0.000 0.886 321 T CB -0.497 68.395 68.868 0.039 0.000 1.209 321 T HN -0.072 nan 8.240 nan 0.000 0.518 322 L N 3.432 124.531 121.223 -0.207 0.000 2.268 322 L HA 0.423 4.764 4.340 0.001 0.000 0.289 322 L C 1.653 178.167 176.870 -0.593 0.000 1.064 322 L CA -0.728 53.733 54.840 -0.633 0.000 0.824 322 L CB 1.202 42.505 42.059 -1.259 0.000 1.202 322 L HN 0.294 nan 8.230 nan 0.000 0.433 323 E N 4.194 124.196 120.200 -0.330 0.000 2.070 323 E HA -0.260 4.091 4.350 0.001 0.000 0.197 323 E C 1.608 178.144 176.600 -0.107 0.000 1.004 323 E CA 1.805 58.127 56.400 -0.128 0.000 0.805 323 E CB -0.286 29.428 29.700 0.023 0.000 0.744 323 E HN 0.752 nan 8.360 nan 0.000 0.451 324 W N -0.102 121.237 121.300 0.066 0.000 2.825 324 W HA 0.086 4.747 4.660 0.002 0.000 0.243 324 W C 1.198 177.760 176.519 0.071 0.000 1.293 324 W CA -0.186 57.189 57.345 0.050 0.000 1.403 324 W CB -0.816 28.651 29.460 0.013 0.000 1.134 324 W HN 0.004 nan 8.180 nan 0.000 0.666 325 F N 2.978 122.655 119.950 -0.455 0.000 2.075 325 F HA -0.059 4.469 4.527 0.001 0.000 0.297 325 F C 2.746 178.545 175.800 -0.001 0.000 1.113 325 F CA 2.933 60.755 58.000 -0.296 0.000 1.218 325 F CB -0.752 37.971 39.000 -0.462 0.000 0.984 325 F HN -0.084 nan 8.300 nan 0.000 0.472 326 A N 0.247 123.203 122.820 0.227 0.000 1.997 326 A HA -0.223 4.098 4.320 0.001 0.000 0.221 326 A C 2.267 179.915 177.584 0.106 0.000 1.172 326 A CA 1.889 54.028 52.037 0.169 0.000 0.645 326 A CB -1.567 17.503 19.000 0.116 0.000 0.813 326 A HN 0.495 nan 8.150 nan 0.000 0.454 327 A N -0.764 122.122 122.820 0.111 0.000 2.168 327 A HA 0.191 4.512 4.320 0.001 0.000 0.215 327 A C 1.874 179.498 177.584 0.067 0.000 1.152 327 A CA 0.905 53.000 52.037 0.097 0.000 0.716 327 A CB -0.495 18.584 19.000 0.132 0.000 0.794 327 A HN 0.491 nan 8.150 nan 0.000 0.465 328 L N -1.011 120.224 121.223 0.020 0.000 2.456 328 L HA 0.006 4.347 4.340 0.001 0.000 0.224 328 L C 1.800 178.692 176.870 0.038 0.000 1.148 328 L CA 0.650 55.480 54.840 -0.017 0.000 0.825 328 L CB -0.483 41.464 42.059 -0.187 0.000 0.937 328 L HN 0.572 nan 8.230 nan 0.000 0.450 329 G N 0.242 109.069 108.800 0.044 0.000 2.198 329 G HA2 -0.266 3.695 3.960 0.001 0.000 0.260 329 G HA3 -0.266 3.695 3.960 0.001 0.000 0.260 329 G C -0.049 174.859 174.900 0.013 0.000 1.025 329 G CA -0.188 44.944 45.100 0.053 0.000 0.769 329 G HN 0.092 nan 8.290 nan 0.000 0.507 330 L N 0.408 121.621 121.223 -0.016 0.000 2.395 330 L HA 0.791 5.132 4.340 0.001 0.000 0.269 330 L C 1.018 177.703 176.870 -0.309 0.000 1.133 330 L CA -0.405 54.360 54.840 -0.125 0.000 0.812 330 L CB 1.041 43.134 42.059 0.057 0.000 1.125 330 L HN 0.631 nan 8.230 nan 0.000 0.452 331 R N 1.825 121.900 120.500 -0.707 0.000 2.752 331 R HA 0.519 4.860 4.340 0.001 0.000 0.271 331 R C -1.802 174.402 176.300 -0.160 0.000 1.026 331 R CA -0.898 54.950 56.100 -0.420 0.000 0.901 331 R CB 1.734 31.741 30.300 -0.488 0.000 1.243 331 R HN 0.599 nan 8.270 nan 0.000 0.463 332 W N 1.509 122.740 121.300 -0.115 0.000 3.118 332 W HA 0.384 5.045 4.660 0.002 0.000 0.328 332 W C -1.194 175.397 176.519 0.119 0.000 1.239 332 W CA -0.977 56.388 57.345 0.034 0.000 1.176 332 W CB 2.113 31.518 29.460 -0.092 0.000 1.433 332 W HN 0.672 nan 8.180 nan 0.000 0.562 333 Y N 0.868 121.125 120.300 -0.072 0.000 2.307 333 Y HA 0.574 5.125 4.550 0.002 0.000 0.324 333 Y C 0.825 176.954 175.900 0.381 0.000 1.238 333 Y CA -0.159 57.972 58.100 0.052 0.000 1.280 333 Y CB 0.146 38.493 38.460 -0.188 0.000 1.248 333 Y HN 0.371 nan 8.280 nan 0.000 0.508 334 A N 2.012 125.101 122.820 0.449 0.000 1.929 334 A HA 0.002 4.323 4.320 0.001 0.000 0.216 334 A C 0.605 178.544 177.584 0.591 0.000 1.176 334 A CA 0.715 53.050 52.037 0.495 0.000 0.628 334 A CB -0.408 18.734 19.000 0.236 0.000 0.816 334 A HN 0.660 nan 8.150 nan 0.000 0.444 335 L N 1.723 123.243 121.223 0.496 0.000 2.262 335 L HA 0.427 4.768 4.340 0.001 0.000 0.288 335 L C -2.580 174.436 176.870 0.243 0.000 1.035 335 L CA -2.430 52.592 54.840 0.304 0.000 0.820 335 L CB 1.482 43.643 42.059 0.171 0.000 1.204 335 L HN -0.030 nan 8.230 nan 0.000 0.424 336 P HA 0.337 nan 4.420 nan 0.000 0.284 336 P C -1.407 175.789 177.300 -0.174 0.000 1.343 336 P CA -0.289 62.664 63.100 -0.246 0.000 0.826 336 P CB 1.181 32.375 31.700 -0.843 0.000 0.956 337 A N 4.383 127.105 122.820 -0.163 0.000 2.466 337 A HA 0.424 4.745 4.320 0.001 0.000 0.291 337 A C -0.377 176.979 177.584 -0.379 0.000 1.234 337 A CA -0.652 51.218 52.037 -0.278 0.000 0.752 337 A CB 0.815 19.673 19.000 -0.236 0.000 1.153 337 A HN 0.290 nan 8.150 nan 0.000 0.458 338 V N 2.775 122.290 119.914 -0.665 0.000 2.555 338 V HA 0.298 4.419 4.120 0.001 0.000 0.286 338 V C 1.123 176.849 176.094 -0.614 0.000 1.044 338 V CA 1.042 62.942 62.300 -0.667 0.000 1.026 338 V CB 1.285 32.558 31.823 -0.917 0.000 0.981 338 V HN 1.069 nan 8.190 nan 0.000 0.480 339 S N 1.691 117.229 115.700 -0.270 0.000 2.780 339 S HA 0.074 4.545 4.470 0.001 0.000 0.248 339 S C 0.696 175.298 174.600 0.003 0.000 1.036 339 S CA -0.011 58.116 58.200 -0.121 0.000 1.061 339 S CB -0.368 62.792 63.200 -0.067 0.000 1.037 339 S HN 0.918 nan 8.310 nan 0.000 0.584 340 N N 0.466 119.174 118.700 0.012 0.000 2.200 340 N HA 0.315 5.056 4.740 0.001 0.000 0.224 340 N C 0.021 175.602 175.510 0.117 0.000 1.179 340 N CA -0.479 52.616 53.050 0.075 0.000 0.877 340 N CB 0.174 38.701 38.487 0.066 0.000 1.072 340 N HN 0.255 nan 8.380 nan 0.000 0.519 341 M N 1.230 120.920 119.600 0.150 0.000 2.359 341 M HA 0.331 4.811 4.480 0.001 0.000 0.322 341 M C -0.516 175.931 176.300 0.245 0.000 1.166 341 M CA -0.846 54.585 55.300 0.217 0.000 1.067 341 M CB 2.266 35.036 32.600 0.285 0.000 1.523 341 M HN 0.106 nan 8.290 nan 0.000 0.467 342 L N 2.447 123.790 121.223 0.199 0.000 2.307 342 L HA 0.497 4.838 4.340 0.001 0.000 0.282 342 L C -1.274 175.694 176.870 0.164 0.000 1.051 342 L CA -0.849 54.092 54.840 0.168 0.000 0.804 342 L CB 1.061 43.173 42.059 0.088 0.000 1.197 342 L HN 0.574 nan 8.230 nan 0.000 0.431 343 L N 5.319 126.635 121.223 0.154 0.000 2.265 343 L HA 0.440 4.781 4.340 0.001 0.000 0.289 343 L C -0.501 176.393 176.870 0.041 0.000 1.033 343 L CA 0.206 55.026 54.840 -0.033 0.000 0.814 343 L CB 1.069 43.081 42.059 -0.079 0.000 1.203 343 L HN 0.623 nan 8.230 nan 0.000 0.423 344 E N 6.424 126.563 120.200 -0.102 0.000 2.133 344 E HA 0.393 4.744 4.350 0.001 0.000 0.274 344 E C -1.532 174.989 176.600 -0.133 0.000 0.930 344 E CA -0.429 55.928 56.400 -0.072 0.000 0.770 344 E CB 1.046 30.696 29.700 -0.084 0.000 1.104 344 E HN 0.724 nan 8.360 nan 0.000 0.403 345 I N 2.489 122.996 120.570 -0.106 0.000 2.478 345 I HA 0.275 4.446 4.170 0.001 0.000 0.287 345 I C 0.892 176.797 176.117 -0.353 0.000 1.042 345 I CA -0.595 60.514 61.300 -0.319 0.000 1.067 345 I CB 2.071 39.813 38.000 -0.430 0.000 1.233 345 I HN 0.772 nan 8.210 nan 0.000 0.431 346 G N 4.132 112.740 108.800 -0.320 0.000 2.321 346 G HA2 -0.120 3.841 3.960 0.001 0.000 0.287 346 G HA3 -0.120 3.841 3.960 0.001 0.000 0.287 346 G C 1.025 175.989 174.900 0.106 0.000 1.018 346 G CA 0.805 45.904 45.100 -0.002 0.000 0.855 346 G HN 1.609 nan 8.290 nan 0.000 0.507 347 G N -2.132 106.677 108.800 0.014 0.000 2.213 347 G HA2 -0.212 3.749 3.960 0.001 0.000 0.236 347 G HA3 -0.212 3.749 3.960 0.001 0.000 0.236 347 G C 0.457 175.320 174.900 -0.061 0.000 0.991 347 G CA 0.407 45.520 45.100 0.022 0.000 0.629 347 G HN 1.253 nan 8.290 nan 0.000 0.517 348 L N 0.728 121.860 121.223 -0.152 0.000 2.357 348 L HA 0.661 5.002 4.340 0.001 0.000 0.273 348 L C 0.239 176.874 176.870 -0.392 0.000 1.080 348 L CA -0.548 54.082 54.840 -0.349 0.000 0.803 348 L CB 1.203 42.951 42.059 -0.519 0.000 1.174 348 L HN 0.174 nan 8.230 nan 0.000 0.443 349 E N 2.234 122.104 120.200 -0.550 0.000 2.218 349 E HA 0.387 4.738 4.350 0.001 0.000 0.263 349 E C -1.589 174.666 176.600 -0.576 0.000 0.879 349 E CA -0.431 55.736 56.400 -0.388 0.000 0.762 349 E CB 1.840 31.426 29.700 -0.190 0.000 1.166 349 E HN 0.257 nan 8.360 nan 0.000 0.415 350 F N 1.853 121.773 119.950 -0.050 0.000 2.308 350 F HA 0.123 4.651 4.527 0.001 0.000 0.370 350 F C 1.492 177.327 175.800 0.058 0.000 1.100 350 F CA -0.589 57.410 58.000 -0.002 0.000 1.108 350 F CB 1.237 40.215 39.000 -0.037 0.000 1.293 350 F HN 0.428 nan 8.300 nan 0.000 0.478 351 S N 1.403 117.213 115.700 0.185 0.000 2.489 351 S HA 0.289 4.760 4.470 0.001 0.000 0.228 351 S C 0.773 175.508 174.600 0.226 0.000 0.995 351 S CA 0.256 58.558 58.200 0.171 0.000 0.934 351 S CB 0.076 63.354 63.200 0.130 0.000 0.771 351 S HN 0.508 nan 8.310 nan 0.000 0.522 352 A N 0.631 123.630 122.820 0.298 0.000 2.363 352 A HA 0.841 5.161 4.320 0.001 0.000 0.296 352 A C -0.133 177.696 177.584 0.407 0.000 1.237 352 A CA -0.228 52.020 52.037 0.351 0.000 0.773 352 A CB 0.862 20.073 19.000 0.352 0.000 1.153 352 A HN 1.004 nan 8.150 nan 0.000 0.473 353 A N 4.198 127.206 122.820 0.314 0.000 3.399 353 A HA 0.616 4.937 4.320 0.001 0.000 0.262 353 A C -3.081 174.646 177.584 0.239 0.000 1.145 353 A CA -0.882 51.294 52.037 0.231 0.000 0.916 353 A CB 0.408 19.536 19.000 0.213 0.000 1.360 353 A HN 0.503 nan 8.150 nan 0.000 0.628 354 P HA 0.455 nan 4.420 nan 0.000 0.271 354 P C -0.737 176.571 177.300 0.013 0.000 1.216 354 P CA 0.332 63.406 63.100 -0.044 0.000 0.771 354 P CB 0.359 31.984 31.700 -0.126 0.000 0.864 355 F N -0.109 119.774 119.950 -0.112 0.000 2.577 355 F HA 0.800 5.328 4.527 0.001 0.000 0.318 355 F C -0.602 175.102 175.800 -0.159 0.000 1.065 355 F CA -1.184 56.748 58.000 -0.114 0.000 0.929 355 F CB 1.679 40.504 39.000 -0.292 0.000 1.237 355 F HN 0.404 nan 8.300 nan 0.000 0.468 356 S N 0.247 116.016 115.700 0.115 0.000 2.550 356 S HA 0.932 5.403 4.470 0.001 0.000 0.270 356 S C -0.746 173.803 174.600 -0.085 0.000 1.145 356 S CA -0.207 57.994 58.200 0.002 0.000 0.852 356 S CB 1.418 64.688 63.200 0.115 0.000 1.119 356 S HN 1.455 nan 8.310 nan 0.000 0.465 357 G N -0.041 108.664 108.800 -0.159 0.000 3.366 357 G HA2 0.746 4.707 3.960 0.001 0.000 0.179 357 G HA3 0.746 4.707 3.960 0.001 0.000 0.179 357 G C -1.476 173.391 174.900 -0.054 0.000 1.143 357 G CA -0.336 44.585 45.100 -0.299 0.000 0.810 357 G HN 1.069 nan 8.290 nan 0.000 0.697 358 W N -1.735 119.574 121.300 0.015 0.000 3.032 358 W HA 0.820 5.481 4.660 0.001 0.000 0.341 358 W C -1.679 174.852 176.519 0.019 0.000 1.202 358 W CA -2.035 55.336 57.345 0.043 0.000 1.132 358 W CB 0.510 30.034 29.460 0.107 0.000 1.465 358 W HN 0.360 nan 8.180 nan 0.000 0.576 359 Y N 2.343 122.841 120.300 0.330 0.000 2.304 359 Y HA 0.305 4.856 4.550 0.001 0.000 0.327 359 Y C 0.823 176.795 175.900 0.121 0.000 1.209 359 Y CA -0.961 57.215 58.100 0.127 0.000 1.299 359 Y CB 1.331 39.785 38.460 -0.011 0.000 1.249 359 Y HN 0.412 nan 8.280 nan 0.000 0.519 360 M N 2.473 122.234 119.600 0.267 0.000 2.146 360 M HA 0.147 4.628 4.480 0.001 0.000 0.357 360 M C 1.061 177.368 176.300 0.012 0.000 1.261 360 M CA -0.058 55.325 55.300 0.139 0.000 1.106 360 M CB 0.877 33.536 32.600 0.099 0.000 1.612 360 M HN 0.845 nan 8.290 nan 0.000 0.470 361 S N 1.186 116.853 115.700 -0.056 0.000 2.419 361 S HA -0.169 4.302 4.470 0.001 0.000 0.235 361 S C 1.476 175.950 174.600 -0.210 0.000 1.019 361 S CA 1.858 59.943 58.200 -0.191 0.000 0.982 361 S CB -1.240 61.883 63.200 -0.128 0.000 0.789 361 S HN 0.921 nan 8.310 nan 0.000 0.490 362 T N 0.236 114.697 114.554 -0.155 0.000 2.915 362 T HA 0.003 4.354 4.350 0.001 0.000 0.269 362 T C 1.526 176.078 174.700 -0.246 0.000 1.071 362 T CA 1.103 63.061 62.100 -0.237 0.000 1.132 362 T CB -0.523 68.166 68.868 -0.298 0.000 0.878 362 T HN 0.560 nan 8.240 nan 0.000 0.479 363 E N 0.902 120.980 120.200 -0.204 0.000 2.118 363 E HA -0.056 4.295 4.350 0.001 0.000 0.195 363 E C 2.002 178.345 176.600 -0.428 0.000 0.992 363 E CA 1.359 57.639 56.400 -0.200 0.000 0.804 363 E CB -0.282 29.443 29.700 0.041 0.000 0.741 363 E HN 0.602 nan 8.360 nan 0.000 0.458 364 I N -0.136 120.058 120.570 -0.626 0.000 2.364 364 I HA -0.035 4.136 4.170 0.001 0.000 0.241 364 I C 2.574 178.360 176.117 -0.552 0.000 1.082 364 I CA 0.849 61.620 61.300 -0.881 0.000 1.401 364 I CB -0.518 36.865 38.000 -1.027 0.000 1.126 364 I HN 0.102 nan 8.210 nan 0.000 0.429 365 G N 0.221 108.795 108.800 -0.376 0.000 2.422 365 G HA2 -0.154 3.807 3.960 0.001 0.000 0.218 365 G HA3 -0.154 3.807 3.960 0.001 0.000 0.218 365 G C 1.597 176.390 174.900 -0.178 0.000 1.140 365 G CA 1.433 46.399 45.100 -0.222 0.000 0.775 365 G HN 0.284 nan 8.290 nan 0.000 0.545 366 T N -0.051 114.373 114.554 -0.216 0.000 3.031 366 T HA 0.098 4.449 4.350 0.001 0.000 0.236 366 T C 2.530 177.125 174.700 -0.175 0.000 1.005 366 T CA 0.245 62.237 62.100 -0.180 0.000 1.230 366 T CB 0.055 68.796 68.868 -0.210 0.000 0.913 366 T HN 0.007 nan 8.240 nan 0.000 0.419 367 R N 1.984 122.360 120.500 -0.207 0.000 2.057 367 R HA 0.140 4.481 4.340 0.001 0.000 0.229 367 R C 2.086 178.272 176.300 -0.191 0.000 1.136 367 R CA 1.093 57.082 56.100 -0.184 0.000 0.952 367 R CB -1.119 29.071 30.300 -0.183 0.000 0.848 367 R HN 0.320 nan 8.270 nan 0.000 0.430 368 N N 0.840 119.369 118.700 -0.284 0.000 2.188 368 N HA -0.042 4.698 4.740 0.001 0.000 0.184 368 N C 1.907 177.349 175.510 -0.115 0.000 1.018 368 N CA 0.880 53.766 53.050 -0.273 0.000 0.858 368 N CB -0.080 37.942 38.487 -0.774 0.000 0.989 368 N HN 0.178 nan 8.380 nan 0.000 0.426 369 L N -0.930 120.187 121.223 -0.177 0.000 2.354 369 L HA 0.102 4.443 4.340 0.001 0.000 0.212 369 L C 1.126 178.026 176.870 0.050 0.000 1.091 369 L CA 0.364 55.196 54.840 -0.014 0.000 0.828 369 L CB 0.329 42.350 42.059 -0.064 0.000 0.973 369 L HN 0.139 nan 8.230 nan 0.000 0.461 370 C N -1.612 117.682 119.300 -0.011 0.000 3.228 370 C HA 0.193 4.654 4.460 0.001 0.000 0.290 370 C C 0.648 175.639 174.990 0.002 0.000 1.301 370 C CA -0.952 58.074 59.018 0.012 0.000 1.703 370 C CB -0.249 27.484 27.740 -0.013 0.000 2.141 370 C HN 0.282 nan 8.230 nan 0.000 0.656 371 D N 3.035 123.412 120.400 -0.038 0.000 2.478 371 D HA 0.039 4.680 4.640 0.001 0.000 0.234 371 D C -1.171 175.153 176.300 0.040 0.000 1.154 371 D CA -1.084 52.896 54.000 -0.033 0.000 0.874 371 D CB 0.656 41.311 40.800 -0.241 0.000 1.198 371 D HN 0.175 nan 8.370 nan 0.000 0.455 372 P HA -0.126 nan 4.420 nan 0.000 0.219 372 P C 0.662 178.075 177.300 0.189 0.000 1.150 372 P CA 1.240 64.439 63.100 0.165 0.000 0.814 372 P CB -0.016 31.778 31.700 0.155 0.000 0.787 373 H N -1.937 117.140 119.070 0.010 0.000 2.538 373 H HA 0.363 4.920 4.556 0.002 0.000 0.286 373 H C 0.912 176.242 175.328 0.002 0.000 1.035 373 H CA -0.273 55.778 56.048 0.005 0.000 1.169 373 H CB -0.183 29.583 29.762 0.006 0.000 1.417 373 H HN -0.020 nan 8.280 nan 0.000 0.567 374 R N -0.351 120.058 120.500 -0.152 0.000 2.845 374 R HA 0.187 4.528 4.340 0.001 0.000 0.112 374 R C 1.020 177.274 176.300 -0.077 0.000 1.012 374 R CA -0.692 55.332 56.100 -0.127 0.000 0.744 374 R CB -0.779 29.465 30.300 -0.093 0.000 0.926 374 R HN 0.104 nan 8.270 nan 0.000 0.376 375 Y N 1.716 122.025 120.300 0.014 0.000 2.421 375 Y HA -0.024 4.526 4.550 0.001 0.000 0.292 375 Y C 0.803 176.723 175.900 0.035 0.000 1.136 375 Y CA 1.317 59.439 58.100 0.036 0.000 1.255 375 Y CB -0.176 38.339 38.460 0.091 0.000 0.991 375 Y HN 0.556 nan 8.280 nan 0.000 0.552 376 N N 0.940 119.731 118.700 0.150 0.000 2.725 376 N HA -0.227 4.514 4.740 0.001 0.000 0.251 376 N C 0.601 176.191 175.510 0.134 0.000 1.031 376 N CA 0.353 53.472 53.050 0.114 0.000 0.720 376 N CB -1.034 37.504 38.487 0.087 0.000 0.930 376 N HN 0.635 nan 8.380 nan 0.000 0.543 377 I N -3.285 117.375 120.570 0.150 0.000 3.684 377 I HA -0.026 4.145 4.170 0.001 0.000 0.304 377 I C 1.719 177.926 176.117 0.151 0.000 1.278 377 I CA -0.316 61.070 61.300 0.143 0.000 1.272 377 I CB -0.053 38.032 38.000 0.141 0.000 1.029 377 I HN 0.077 nan 8.210 nan 0.000 0.458 378 L N 1.812 123.136 121.223 0.168 0.000 1.997 378 L HA -0.248 4.093 4.340 0.001 0.000 0.216 378 L C 2.641 179.716 176.870 0.341 0.000 1.074 378 L CA 2.086 57.062 54.840 0.228 0.000 0.763 378 L CB -1.220 40.947 42.059 0.180 0.000 0.890 378 L HN 0.503 nan 8.230 nan 0.000 0.434 379 E N -1.193 119.204 120.200 0.327 0.000 2.150 379 E HA -0.197 4.153 4.350 0.001 0.000 0.193 379 E C 1.631 178.262 176.600 0.052 0.000 0.985 379 E CA 0.896 57.413 56.400 0.195 0.000 0.814 379 E CB 0.131 29.878 29.700 0.079 0.000 0.752 379 E HN 0.505 nan 8.360 nan 0.000 0.466 380 D N 0.050 120.488 120.400 0.063 0.000 2.097 380 D HA -0.131 4.510 4.640 0.001 0.000 0.197 380 D C 2.031 178.324 176.300 -0.013 0.000 0.984 380 D CA 0.929 54.931 54.000 0.003 0.000 0.826 380 D CB 0.010 40.820 40.800 0.018 0.000 0.973 380 D HN 0.112 nan 8.370 nan 0.000 0.460 381 V N 1.501 121.459 119.914 0.074 0.000 2.427 381 V HA -0.186 3.935 4.120 0.001 0.000 0.248 381 V C 2.503 178.659 176.094 0.105 0.000 1.051 381 V CA 1.619 64.001 62.300 0.137 0.000 1.048 381 V CB -0.610 31.371 31.823 0.262 0.000 0.666 381 V HN 0.156 nan 8.190 nan 0.000 0.456 382 A N -0.401 122.499 122.820 0.133 0.000 1.930 382 A HA -0.113 4.208 4.320 0.001 0.000 0.217 382 A C 2.361 179.913 177.584 -0.054 0.000 1.175 382 A CA 1.719 53.831 52.037 0.124 0.000 0.627 382 A CB -0.503 18.666 19.000 0.282 0.000 0.815 382 A HN 0.329 nan 8.150 nan 0.000 0.443 383 V N -1.062 118.774 119.914 -0.131 0.000 2.427 383 V HA -0.269 3.852 4.120 0.001 0.000 0.248 383 V C 2.570 178.501 176.094 -0.272 0.000 1.051 383 V CA 1.856 64.039 62.300 -0.195 0.000 1.048 383 V CB -0.855 30.857 31.823 -0.186 0.000 0.666 383 V HN 0.709 nan 8.190 nan 0.000 0.456 384 C N -0.368 118.706 119.300 -0.378 0.000 2.425 384 C HA -0.148 4.313 4.460 0.001 0.000 0.277 384 C C 2.630 177.112 174.990 -0.846 0.000 1.280 384 C CA 1.093 59.634 59.018 -0.794 0.000 1.744 384 C CB -0.903 26.096 27.740 -1.234 0.000 1.989 384 C HN 0.526 nan 8.230 nan 0.000 0.491 385 M N -0.202 119.166 119.600 -0.387 0.000 2.618 385 M HA 0.036 4.517 4.480 0.001 0.000 0.240 385 M C 0.447 176.700 176.300 -0.077 0.000 1.123 385 M CA 0.802 56.055 55.300 -0.079 0.000 1.060 385 M CB -0.241 32.438 32.600 0.132 0.000 1.535 385 M HN 0.198 nan 8.290 nan 0.000 0.507 386 D N 1.586 121.897 120.400 -0.149 0.000 2.746 386 D HA -0.145 4.496 4.640 0.001 0.000 0.236 386 D C -0.833 175.432 176.300 -0.059 0.000 1.129 386 D CA 0.476 54.410 54.000 -0.111 0.000 0.691 386 D CB -0.934 39.811 40.800 -0.091 0.000 1.077 386 D HN 0.284 nan 8.370 nan 0.000 0.432 387 L N 0.076 121.270 121.223 -0.049 0.000 2.421 387 L HA 0.289 4.630 4.340 0.001 0.000 0.263 387 L C 0.975 177.809 176.870 -0.060 0.000 1.122 387 L CA -0.580 54.263 54.840 0.006 0.000 0.804 387 L CB 0.752 42.877 42.059 0.110 0.000 1.150 387 L HN 0.007 nan 8.230 nan 0.000 0.457 388 D N 0.597 120.989 120.400 -0.014 0.000 2.453 388 D HA 0.044 4.685 4.640 0.001 0.000 0.223 388 D C 0.672 176.875 176.300 -0.161 0.000 1.183 388 D CA -0.069 53.892 54.000 -0.066 0.000 0.933 388 D CB 0.778 41.576 40.800 -0.003 0.000 1.038 388 D HN 0.392 nan 8.370 nan 0.000 0.513 389 T N 3.189 117.482 114.554 -0.434 0.000 3.215 389 T HA 0.018 4.369 4.350 0.001 0.000 0.254 389 T C 1.781 176.174 174.700 -0.511 0.000 1.149 389 T CA 0.265 61.763 62.100 -1.003 0.000 1.042 389 T CB 0.121 68.377 68.868 -1.020 0.000 0.966 389 T HN 0.365 nan 8.240 nan 0.000 0.534 390 R N 0.636 121.011 120.500 -0.209 0.000 2.090 390 R HA 0.076 4.417 4.340 0.001 0.000 0.228 390 R C 1.282 177.598 176.300 0.027 0.000 1.110 390 R CA 0.777 56.829 56.100 -0.080 0.000 0.973 390 R CB 0.022 30.292 30.300 -0.050 0.000 0.869 390 R HN 0.154 nan 8.270 nan 0.000 0.440 391 T N -1.229 113.387 114.554 0.103 0.000 2.906 391 T HA 0.131 4.481 4.350 0.001 0.000 0.295 391 T C 1.158 176.024 174.700 0.277 0.000 1.061 391 T CA -0.494 61.700 62.100 0.157 0.000 1.000 391 T CB 1.881 70.807 68.868 0.096 0.000 1.103 391 T HN 0.256 nan 8.240 nan 0.000 0.486 392 T N 0.531 115.205 114.554 0.201 0.000 2.788 392 T HA -0.122 4.229 4.350 0.001 0.000 0.268 392 T C 2.129 176.877 174.700 0.080 0.000 1.044 392 T CA 1.839 64.017 62.100 0.130 0.000 1.139 392 T CB -0.810 68.091 68.868 0.056 0.000 0.867 392 T HN 0.687 nan 8.240 nan 0.000 0.454 393 S N 2.090 117.840 115.700 0.084 0.000 2.507 393 S HA -0.061 4.409 4.470 0.001 0.000 0.235 393 S C 2.148 176.793 174.600 0.075 0.000 0.988 393 S CA 0.886 59.121 58.200 0.059 0.000 0.944 393 S CB -0.887 62.343 63.200 0.049 0.000 0.762 393 S HN 0.771 nan 8.310 nan 0.000 0.526 394 S N 1.674 117.452 115.700 0.130 0.000 2.522 394 S HA 0.208 4.679 4.470 0.001 0.000 0.227 394 S C 0.978 175.655 174.600 0.128 0.000 0.986 394 S CA 0.304 58.588 58.200 0.139 0.000 0.929 394 S CB -1.015 62.299 63.200 0.189 0.000 0.769 394 S HN 0.664 nan 8.310 nan 0.000 0.529 395 L N 0.815 122.084 121.223 0.076 0.000 3.717 395 L HA -0.177 4.163 4.340 0.001 0.000 0.414 395 L C 1.660 178.537 176.870 0.013 0.000 1.228 395 L CA 0.658 55.486 54.840 -0.020 0.000 0.918 395 L CB -2.522 39.534 42.059 -0.004 0.000 1.865 395 L HN 0.736 nan 8.230 nan 0.000 0.922 396 W N 0.063 121.374 121.300 0.019 0.000 2.342 396 W HA -0.181 4.479 4.660 0.001 0.000 0.297 396 W C 1.746 178.283 176.519 0.030 0.000 1.213 396 W CA 1.452 58.810 57.345 0.023 0.000 1.251 396 W CB -0.710 28.759 29.460 0.015 0.000 1.136 396 W HN 0.289 nan 8.180 nan 0.000 0.526 397 K N 1.051 121.064 120.400 -0.645 0.000 2.025 397 K HA -0.162 4.159 4.320 0.001 0.000 0.207 397 K C 1.597 178.066 176.600 -0.217 0.000 1.049 397 K CA 2.367 58.293 56.287 -0.601 0.000 0.933 397 K CB -0.398 31.588 32.500 -0.856 0.000 0.714 397 K HN 0.015 nan 8.250 nan 0.000 0.438 398 D N 0.702 120.993 120.400 -0.182 0.000 2.104 398 D HA -0.160 4.480 4.640 0.001 0.000 0.194 398 D C 1.696 177.991 176.300 -0.010 0.000 0.994 398 D CA 1.403 55.353 54.000 -0.083 0.000 0.830 398 D CB -0.007 40.752 40.800 -0.069 0.000 0.959 398 D HN 0.116 nan 8.370 nan 0.000 0.452 399 K N 0.264 120.683 120.400 0.030 0.000 2.057 399 K HA -0.008 4.313 4.320 0.001 0.000 0.207 399 K C 2.187 178.858 176.600 0.118 0.000 1.049 399 K CA 1.124 57.461 56.287 0.083 0.000 0.931 399 K CB -0.130 32.438 32.500 0.112 0.000 0.714 399 K HN 0.097 nan 8.250 nan 0.000 0.440 400 A N 1.362 124.268 122.820 0.143 0.000 1.898 400 A HA -0.083 4.238 4.320 0.001 0.000 0.216 400 A C 2.350 180.026 177.584 0.154 0.000 1.181 400 A CA 1.741 53.894 52.037 0.194 0.000 0.620 400 A CB -0.676 18.472 19.000 0.246 0.000 0.819 400 A HN 0.326 nan 8.150 nan 0.000 0.442 401 A N -0.533 122.333 122.820 0.077 0.000 1.902 401 A HA -0.002 4.319 4.320 0.001 0.000 0.217 401 A C 2.229 179.836 177.584 0.039 0.000 1.181 401 A CA 1.745 53.805 52.037 0.038 0.000 0.623 401 A CB -0.940 18.043 19.000 -0.028 0.000 0.818 401 A HN 0.362 nan 8.150 nan 0.000 0.443 402 V N 0.364 120.307 119.914 0.048 0.000 2.287 402 V HA -0.238 3.883 4.120 0.001 0.000 0.248 402 V C 2.608 178.746 176.094 0.074 0.000 1.053 402 V CA 2.270 64.603 62.300 0.054 0.000 1.027 402 V CB -0.685 31.176 31.823 0.063 0.000 0.646 402 V HN 0.526 nan 8.190 nan 0.000 0.447 403 E N -0.210 120.066 120.200 0.127 0.000 2.110 403 E HA -0.143 4.208 4.350 0.001 0.000 0.193 403 E C 2.083 178.749 176.600 0.111 0.000 0.988 403 E CA 1.221 57.728 56.400 0.179 0.000 0.804 403 E CB -0.337 29.505 29.700 0.237 0.000 0.745 403 E HN 0.602 nan 8.360 nan 0.000 0.458 404 I N 1.275 121.936 120.570 0.152 0.000 2.252 404 I HA -0.277 3.894 4.170 0.001 0.000 0.245 404 I C 1.683 177.797 176.117 -0.004 0.000 1.102 404 I CA 1.034 62.421 61.300 0.145 0.000 1.385 404 I CB -0.277 37.854 38.000 0.219 0.000 1.064 404 I HN 0.037 nan 8.210 nan 0.000 0.414 405 N N 0.551 119.240 118.700 -0.020 0.000 2.244 405 N HA -0.170 4.571 4.740 0.001 0.000 0.183 405 N C 1.670 177.137 175.510 -0.071 0.000 1.016 405 N CA 0.852 53.867 53.050 -0.060 0.000 0.866 405 N CB -0.202 38.259 38.487 -0.045 0.000 0.980 405 N HN 0.169 nan 8.380 nan 0.000 0.430 406 L N 0.657 121.832 121.223 -0.081 0.000 2.056 406 L HA 0.015 4.356 4.340 0.001 0.000 0.207 406 L C 2.004 178.726 176.870 -0.247 0.000 1.078 406 L CA 1.344 56.093 54.840 -0.152 0.000 0.749 406 L CB -0.781 41.158 42.059 -0.199 0.000 0.901 406 L HN 0.155 nan 8.230 nan 0.000 0.433 407 A N -1.309 121.303 122.820 -0.347 0.000 1.978 407 A HA -0.154 4.166 4.320 0.001 0.000 0.220 407 A C 2.260 179.751 177.584 -0.154 0.000 1.170 407 A CA 1.949 53.729 52.037 -0.429 0.000 0.636 407 A CB -1.013 17.402 19.000 -0.976 0.000 0.810 407 A HN 0.314 nan 8.150 nan 0.000 0.448 408 V N -0.188 119.664 119.914 -0.103 0.000 2.307 408 V HA -0.231 3.890 4.120 0.001 0.000 0.245 408 V C 2.557 178.661 176.094 0.016 0.000 1.045 408 V CA 1.933 64.217 62.300 -0.028 0.000 1.024 408 V CB -0.701 31.030 31.823 -0.152 0.000 0.651 408 V HN 0.576 nan 8.190 nan 0.000 0.449 409 L N -0.482 120.716 121.223 -0.042 0.000 2.046 409 L HA -0.224 4.117 4.340 0.001 0.000 0.208 409 L C 2.604 179.501 176.870 0.044 0.000 1.077 409 L CA 2.130 56.963 54.840 -0.012 0.000 0.747 409 L CB -0.810 41.234 42.059 -0.025 0.000 0.896 409 L HN 0.489 nan 8.230 nan 0.000 0.432 410 H N -0.396 118.625 119.070 -0.083 0.000 2.319 410 H HA -0.151 4.406 4.556 0.002 0.000 0.299 410 H C 2.348 177.656 175.328 -0.033 0.000 1.092 410 H CA 2.062 58.052 56.048 -0.096 0.000 1.302 410 H CB -0.035 29.603 29.762 -0.206 0.000 1.373 410 H HN 0.143 nan 8.280 nan 0.000 0.497 411 S N -0.403 115.226 115.700 -0.117 0.000 2.356 411 S HA -0.099 4.372 4.470 0.001 0.000 0.223 411 S C 1.937 176.494 174.600 -0.071 0.000 1.032 411 S CA 1.202 59.322 58.200 -0.133 0.000 1.005 411 S CB -0.445 62.773 63.200 0.029 0.000 0.867 411 S HN 0.324 nan 8.310 nan 0.000 0.449 412 F N 1.971 121.856 119.950 -0.110 0.000 2.134 412 F HA -0.102 4.426 4.527 0.002 0.000 0.299 412 F C 2.654 178.397 175.800 -0.094 0.000 1.097 412 F CA 1.083 59.042 58.000 -0.068 0.000 1.264 412 F CB -0.746 38.240 39.000 -0.024 0.000 1.001 412 F HN 0.195 nan 8.300 nan 0.000 0.479 413 Q N -0.448 119.389 119.800 0.061 0.000 2.061 413 Q HA -0.234 4.106 4.340 0.001 0.000 0.204 413 Q C 2.228 178.169 176.000 -0.098 0.000 0.984 413 Q CA 1.749 57.537 55.803 -0.025 0.000 0.846 413 Q CB -0.547 28.170 28.738 -0.036 0.000 0.902 413 Q HN 0.349 nan 8.270 nan 0.000 0.421 414 L N 0.057 121.163 121.223 -0.195 0.000 2.083 414 L HA -0.068 4.273 4.340 0.001 0.000 0.209 414 L C 1.829 178.607 176.870 -0.154 0.000 1.083 414 L CA 1.889 56.599 54.840 -0.216 0.000 0.752 414 L CB -0.418 41.421 42.059 -0.367 0.000 0.899 414 L HN 0.124 nan 8.230 nan 0.000 0.433 415 A N -1.313 121.410 122.820 -0.162 0.000 2.251 415 A HA 0.050 4.371 4.320 0.001 0.000 0.209 415 A C 0.855 178.369 177.584 -0.117 0.000 1.187 415 A CA 0.024 51.970 52.037 -0.151 0.000 0.823 415 A CB -0.436 18.435 19.000 -0.216 0.000 0.846 415 A HN 0.445 nan 8.150 nan 0.000 0.486 416 K N -0.662 119.683 120.400 -0.091 0.000 3.148 416 K HA -0.131 4.190 4.320 0.001 0.000 0.267 416 K C -0.771 175.799 176.600 -0.051 0.000 0.996 416 K CA 0.730 56.980 56.287 -0.062 0.000 0.737 416 K CB -2.282 30.182 32.500 -0.060 0.000 1.308 416 K HN 0.270 nan 8.250 nan 0.000 0.470 417 V N 1.190 121.084 119.914 -0.034 0.000 2.435 417 V HA 0.132 4.252 4.120 0.001 0.000 0.290 417 V C 0.877 177.066 176.094 0.159 0.000 1.030 417 V CA -0.670 61.648 62.300 0.030 0.000 0.881 417 V CB 1.906 33.667 31.823 -0.103 0.000 0.983 417 V HN 0.281 nan 8.190 nan 0.000 0.445 418 T N 6.321 120.924 114.554 0.082 0.000 2.905 418 T HA 0.355 4.706 4.350 0.001 0.000 0.299 418 T C -0.247 174.528 174.700 0.125 0.000 1.024 418 T CA 0.946 63.020 62.100 -0.044 0.000 1.151 418 T CB 0.006 68.708 68.868 -0.276 0.000 0.987 418 T HN 0.585 nan 8.240 nan 0.000 0.535 419 I N 2.471 123.047 120.570 0.010 0.000 2.984 419 I HA 0.665 4.836 4.170 0.001 0.000 0.303 419 I C -1.636 174.506 176.117 0.041 0.000 1.381 419 I CA -0.935 60.402 61.300 0.063 0.000 0.988 419 I CB 1.988 39.930 38.000 -0.097 0.000 1.307 419 I HN 0.446 nan 8.210 nan 0.000 0.460 420 V N 4.841 124.839 119.914 0.141 0.000 2.638 420 V HA 0.524 4.645 4.120 0.001 0.000 0.306 420 V C -1.228 174.917 176.094 0.086 0.000 1.052 420 V CA -0.263 62.118 62.300 0.135 0.000 0.885 420 V CB 2.097 34.091 31.823 0.284 0.000 0.999 420 V HN 0.899 nan 8.190 nan 0.000 0.424 421 D N 4.033 124.460 120.400 0.045 0.000 2.354 421 D HA 0.193 4.834 4.640 0.001 0.000 0.247 421 D C 1.215 177.510 176.300 -0.009 0.000 1.138 421 D CA 0.182 54.193 54.000 0.019 0.000 0.958 421 D CB 0.491 41.269 40.800 -0.036 0.000 1.144 421 D HN 0.718 nan 8.370 nan 0.000 0.458 422 H N -0.363 118.636 119.070 -0.119 0.000 2.495 422 H HA -0.095 4.462 4.556 0.001 0.000 0.287 422 H C 1.002 176.208 175.328 -0.203 0.000 1.033 422 H CA 1.155 57.094 56.048 -0.182 0.000 1.307 422 H CB -0.548 29.050 29.762 -0.273 0.000 1.401 422 H HN 0.509 nan 8.280 nan 0.000 0.555 423 H N 1.330 120.189 119.070 -0.352 0.000 2.307 423 H HA 0.116 4.673 4.556 0.001 0.000 0.303 423 H C 2.552 177.856 175.328 -0.040 0.000 1.073 423 H CA 1.274 57.225 56.048 -0.162 0.000 1.338 423 H CB -0.382 29.258 29.762 -0.204 0.000 1.389 423 H HN 0.473 nan 8.280 nan 0.000 0.503 424 A N 1.664 124.533 122.820 0.083 0.000 1.892 424 A HA -0.201 4.120 4.320 0.001 0.000 0.218 424 A C 2.730 180.380 177.584 0.110 0.000 1.188 424 A CA 2.323 54.412 52.037 0.086 0.000 0.631 424 A CB -1.026 18.015 19.000 0.070 0.000 0.822 424 A HN 0.460 nan 8.150 nan 0.000 0.447 425 A N -0.530 122.355 122.820 0.108 0.000 1.877 425 A HA -0.116 4.205 4.320 0.001 0.000 0.216 425 A C 2.448 180.122 177.584 0.151 0.000 1.186 425 A CA 2.710 54.830 52.037 0.138 0.000 0.620 425 A CB -1.454 17.619 19.000 0.121 0.000 0.822 425 A HN 0.817 nan 8.150 nan 0.000 0.443 426 T N -2.530 112.096 114.554 0.121 0.000 2.904 426 T HA -0.060 4.291 4.350 0.001 0.000 0.267 426 T C 1.682 176.505 174.700 0.204 0.000 1.059 426 T CA 1.266 63.462 62.100 0.159 0.000 1.137 426 T CB -0.724 68.208 68.868 0.106 0.000 0.879 426 T HN 0.067 nan 8.240 nan 0.000 0.467 427 V N 2.859 122.870 119.914 0.161 0.000 2.332 427 V HA -0.196 3.925 4.120 0.001 0.000 0.248 427 V C 3.219 179.403 176.094 0.149 0.000 1.055 427 V CA 2.147 64.534 62.300 0.144 0.000 1.038 427 V CB -1.132 30.758 31.823 0.112 0.000 0.651 427 V HN 0.789 nan 8.190 nan 0.000 0.450 428 S N -0.177 115.620 115.700 0.163 0.000 2.383 428 S HA -0.226 4.245 4.470 0.001 0.000 0.227 428 S C 1.984 176.709 174.600 0.209 0.000 1.026 428 S CA 1.528 59.826 58.200 0.164 0.000 0.981 428 S CB -0.737 62.563 63.200 0.166 0.000 0.818 428 S HN 0.498 nan 8.310 nan 0.000 0.472 429 F N 2.262 122.274 119.950 0.103 0.000 2.171 429 F HA 0.017 4.545 4.527 0.001 0.000 0.300 429 F C 2.271 178.161 175.800 0.149 0.000 1.090 429 F CA 1.395 59.471 58.000 0.126 0.000 1.293 429 F CB -0.343 38.709 39.000 0.087 0.000 1.013 429 F HN 0.126 nan 8.300 nan 0.000 0.486 430 M N 0.116 119.796 119.600 0.134 0.000 2.108 430 M HA -0.198 4.283 4.480 0.001 0.000 0.261 430 M C 2.212 178.494 176.300 -0.030 0.000 1.066 430 M CA 1.610 56.933 55.300 0.038 0.000 1.107 430 M CB -1.338 31.327 32.600 0.108 0.000 1.356 430 M HN 0.075 nan 8.290 nan 0.000 0.406 431 K N -0.202 120.210 120.400 0.019 0.000 2.057 431 K HA -0.199 4.122 4.320 0.001 0.000 0.207 431 K C 1.974 178.557 176.600 -0.029 0.000 1.049 431 K CA 1.835 58.126 56.287 0.007 0.000 0.931 431 K CB -0.767 31.758 32.500 0.043 0.000 0.714 431 K HN 0.403 nan 8.250 nan 0.000 0.440 432 H N 0.176 119.170 119.070 -0.127 0.000 2.319 432 H HA -0.053 4.504 4.556 0.001 0.000 0.299 432 H C 1.755 176.922 175.328 -0.269 0.000 1.092 432 H CA 2.384 58.324 56.048 -0.179 0.000 1.302 432 H CB -0.263 29.370 29.762 -0.214 0.000 1.373 432 H HN 0.181 nan 8.280 nan 0.000 0.497 433 L N -0.224 120.707 121.223 -0.486 0.000 2.043 433 L HA -0.207 4.133 4.340 0.001 0.000 0.212 433 L C 2.334 179.041 176.870 -0.272 0.000 1.075 433 L CA 1.821 56.401 54.840 -0.434 0.000 0.752 433 L CB -0.501 41.366 42.059 -0.319 0.000 0.891 433 L HN 0.405 nan 8.230 nan 0.000 0.432 434 D N -0.105 120.183 120.400 -0.186 0.000 2.097 434 D HA -0.183 4.458 4.640 0.001 0.000 0.195 434 D C 1.922 178.146 176.300 -0.127 0.000 0.989 434 D CA 1.185 55.115 54.000 -0.118 0.000 0.827 434 D CB 0.043 40.802 40.800 -0.068 0.000 0.966 434 D HN 0.147 nan 8.370 nan 0.000 0.456 435 N N 0.539 119.150 118.700 -0.148 0.000 2.061 435 N HA -0.144 4.596 4.740 0.001 0.000 0.193 435 N C 1.592 177.010 175.510 -0.154 0.000 1.030 435 N CA 0.962 53.940 53.050 -0.120 0.000 0.856 435 N CB -0.275 38.161 38.487 -0.085 0.000 1.023 435 N HN 0.361 nan 8.380 nan 0.000 0.424 436 E N 0.409 120.435 120.200 -0.290 0.000 2.216 436 E HA -0.117 4.234 4.350 0.001 0.000 0.192 436 E C 1.851 178.360 176.600 -0.150 0.000 0.988 436 E CA 0.356 56.602 56.400 -0.256 0.000 0.834 436 E CB -0.059 29.394 29.700 -0.411 0.000 0.772 436 E HN 0.336 nan 8.360 nan 0.000 0.479 437 Q N 1.702 121.420 119.800 -0.136 0.000 2.061 437 Q HA -0.151 4.190 4.340 0.001 0.000 0.204 437 Q C 1.822 177.786 176.000 -0.061 0.000 0.984 437 Q CA 1.783 57.539 55.803 -0.079 0.000 0.846 437 Q CB -0.002 28.696 28.738 -0.068 0.000 0.902 437 Q HN 0.089 nan 8.270 nan 0.000 0.421 438 K N -0.568 119.795 120.400 -0.061 0.000 2.026 438 K HA -0.099 4.222 4.320 0.001 0.000 0.208 438 K C 2.028 178.606 176.600 -0.038 0.000 1.048 438 K CA 1.395 57.655 56.287 -0.044 0.000 0.929 438 K CB -0.342 32.136 32.500 -0.038 0.000 0.713 438 K HN 0.283 nan 8.250 nan 0.000 0.439 439 A N 0.973 123.769 122.820 -0.041 0.000 1.872 439 A HA -0.077 4.244 4.320 0.001 0.000 0.214 439 A C 1.713 179.281 177.584 -0.026 0.000 1.187 439 A CA 1.299 53.323 52.037 -0.021 0.000 0.614 439 A CB -0.041 18.958 19.000 -0.003 0.000 0.826 439 A HN 0.189 nan 8.150 nan 0.000 0.442 440 R N -2.591 117.884 120.500 -0.043 0.000 2.541 440 R HA 0.275 4.616 4.340 0.001 0.000 0.332 440 R C 0.791 177.073 176.300 -0.029 0.000 0.951 440 R CA 0.482 56.563 56.100 -0.033 0.000 1.136 440 R CB 0.671 30.949 30.300 -0.038 0.000 1.449 440 R HN 0.705 nan 8.270 nan 0.000 0.531 441 G N 0.888 109.665 108.800 -0.038 0.000 2.147 441 G HA2 -0.194 3.767 3.960 0.001 0.000 0.244 441 G HA3 -0.194 3.767 3.960 0.001 0.000 0.244 441 G C 0.235 175.130 174.900 -0.008 0.000 1.005 441 G CA 0.093 45.170 45.100 -0.039 0.000 0.713 441 G HN 0.736 nan 8.290 nan 0.000 0.515 442 G N -2.422 106.379 108.800 0.001 0.000 2.341 442 G HA2 0.539 4.500 3.960 0.001 0.000 0.293 442 G HA3 0.539 4.500 3.960 0.001 0.000 0.293 442 G C -0.852 174.069 174.900 0.034 0.000 1.298 442 G CA 0.394 45.525 45.100 0.050 0.000 0.868 442 G HN 1.937 nan 8.290 nan 0.000 0.540 443 C N 1.879 121.227 119.300 0.079 0.000 2.705 443 C HA 0.746 5.206 4.460 0.001 0.000 0.369 443 C C -2.559 172.434 174.990 0.005 0.000 1.069 443 C CA -1.188 57.836 59.018 0.009 0.000 1.260 443 C CB 1.303 28.991 27.740 -0.087 0.000 1.764 443 C HN 0.711 nan 8.230 nan 0.000 0.469 444 P HA 0.443 nan 4.420 nan 0.000 0.271 444 P C -0.674 176.541 177.300 -0.141 0.000 1.220 444 P CA 0.526 63.290 63.100 -0.560 0.000 0.768 444 P CB 1.157 32.254 31.700 -1.004 0.000 0.848 445 A N 2.420 125.226 122.820 -0.023 0.000 2.547 445 A HA 0.432 4.753 4.320 0.001 0.000 0.297 445 A C -1.301 176.349 177.584 0.110 0.000 1.056 445 A CA -0.554 51.549 52.037 0.109 0.000 0.688 445 A CB 1.348 20.538 19.000 0.316 0.000 1.282 445 A HN 0.435 nan 8.150 nan 0.000 0.400 446 D N 1.589 122.042 120.400 0.088 0.000 2.443 446 D HA 0.170 4.811 4.640 0.001 0.000 0.221 446 D C 0.780 177.216 176.300 0.225 0.000 1.097 446 D CA -0.479 53.605 54.000 0.140 0.000 0.865 446 D CB 0.378 41.212 40.800 0.056 0.000 1.034 446 D HN 0.581 nan 8.370 nan 0.000 0.511 447 W N 4.253 125.600 121.300 0.077 0.000 2.321 447 W HA -0.277 4.384 4.660 0.002 0.000 0.306 447 W C 1.874 178.429 176.519 0.061 0.000 1.217 447 W CA 2.200 59.576 57.345 0.052 0.000 1.257 447 W CB 0.098 29.566 29.460 0.014 0.000 1.145 447 W HN 0.550 nan 8.180 nan 0.000 0.509 448 A N -1.332 121.761 122.820 0.454 0.000 2.019 448 A HA -0.179 4.142 4.320 0.001 0.000 0.219 448 A C 1.488 179.150 177.584 0.129 0.000 1.164 448 A CA 1.496 53.725 52.037 0.320 0.000 0.644 448 A CB -1.260 17.952 19.000 0.353 0.000 0.805 448 A HN 0.527 nan 8.150 nan 0.000 0.449 449 W N -0.761 120.522 121.300 -0.029 0.000 2.640 449 W HA 0.156 4.817 4.660 0.002 0.000 0.268 449 W C 1.829 178.244 176.519 -0.172 0.000 1.263 449 W CA 0.066 57.369 57.345 -0.071 0.000 1.344 449 W CB 0.014 29.455 29.460 -0.032 0.000 1.093 449 W HN 0.153 nan 8.180 nan 0.000 0.603 450 I N -0.392 120.145 120.570 -0.055 0.000 2.333 450 I HA -0.056 4.115 4.170 0.001 0.000 0.246 450 I C 0.676 176.596 176.117 -0.328 0.000 1.106 450 I CA 0.702 61.839 61.300 -0.273 0.000 1.411 450 I CB -1.450 36.311 38.000 -0.398 0.000 1.082 450 I HN -0.430 nan 8.210 nan 0.000 0.420 451 V N 4.704 124.337 119.914 -0.469 0.000 2.521 451 V HA 0.080 4.201 4.120 0.001 0.000 0.286 451 V C -1.780 174.141 176.094 -0.288 0.000 1.034 451 V CA -1.014 61.005 62.300 -0.470 0.000 1.045 451 V CB 0.133 31.436 31.823 -0.868 0.000 0.974 451 V HN 0.152 nan 8.190 nan 0.000 0.480 452 P HA 0.191 nan 4.420 nan 0.000 0.272 452 P C -2.092 175.085 177.300 -0.206 0.000 1.230 452 P CA -1.568 61.410 63.100 -0.202 0.000 0.788 452 P CB 0.100 31.684 31.700 -0.192 0.000 0.949 453 P HA 0.071 nan 4.420 nan 0.000 0.241 453 P C 0.330 177.520 177.300 -0.183 0.000 1.191 453 P CA 0.859 63.843 63.100 -0.192 0.000 0.771 453 P CB 0.135 31.712 31.700 -0.205 0.000 0.929 454 I N -6.151 114.274 120.570 -0.243 0.000 2.892 454 I HA 0.485 4.656 4.170 0.001 0.000 0.306 454 I C 0.080 176.084 176.117 -0.187 0.000 1.078 454 I CA -1.269 59.902 61.300 -0.215 0.000 1.032 454 I CB 1.889 39.736 38.000 -0.255 0.000 1.229 454 I HN -0.407 nan 8.210 nan 0.000 0.435 455 S N 2.163 117.805 115.700 -0.096 0.000 3.587 455 S HA -0.188 4.283 4.470 0.001 0.000 0.337 455 S C 1.388 175.964 174.600 -0.041 0.000 1.119 455 S CA 0.807 58.993 58.200 -0.024 0.000 0.976 455 S CB -1.583 61.673 63.200 0.093 0.000 0.922 455 S HN 1.241 nan 8.310 nan 0.000 0.503 456 G N 2.077 110.829 108.800 -0.080 0.000 2.599 456 G HA2 -0.325 3.636 3.960 0.001 0.000 0.219 456 G HA3 -0.325 3.636 3.960 0.001 0.000 0.219 456 G C 1.383 176.171 174.900 -0.186 0.000 1.193 456 G CA 1.570 46.634 45.100 -0.059 0.000 0.778 456 G HN 1.299 nan 8.290 nan 0.000 0.589 457 S N -0.217 115.113 115.700 -0.617 0.000 2.603 457 S HA 0.204 4.674 4.470 0.001 0.000 0.220 457 S C 1.834 176.384 174.600 -0.084 0.000 0.967 457 S CA 0.216 57.931 58.200 -0.808 0.000 0.920 457 S CB 0.100 62.527 63.200 -1.288 0.000 0.773 457 S HN 0.048 nan 8.310 nan 0.000 0.529 458 L N 2.714 123.926 121.223 -0.020 0.000 2.552 458 L HA 0.229 4.570 4.340 0.001 0.000 0.227 458 L C 1.349 178.346 176.870 0.211 0.000 1.146 458 L CA 0.687 55.599 54.840 0.119 0.000 0.858 458 L CB -1.207 40.947 42.059 0.158 0.000 0.969 458 L HN 0.612 nan 8.230 nan 0.000 0.451 459 T N -4.640 110.028 114.554 0.190 0.000 2.925 459 T HA 0.392 4.743 4.350 0.001 0.000 0.285 459 T C -1.753 173.114 174.700 0.279 0.000 1.021 459 T CA -1.923 60.309 62.100 0.220 0.000 1.042 459 T CB 2.005 70.952 68.868 0.131 0.000 1.037 459 T HN -0.170 nan 8.240 nan 0.000 0.481 460 P HA -0.067 nan 4.420 nan 0.000 0.220 460 P C 1.723 179.217 177.300 0.324 0.000 1.148 460 P CA 0.889 64.183 63.100 0.323 0.000 0.803 460 P CB -0.339 31.496 31.700 0.224 0.000 0.782 461 V N -4.392 115.656 119.914 0.223 0.000 2.871 461 V HA -0.115 4.006 4.120 0.001 0.000 0.256 461 V C 2.323 178.478 176.094 0.101 0.000 1.082 461 V CA 0.801 63.199 62.300 0.164 0.000 1.105 461 V CB -2.099 29.761 31.823 0.060 0.000 0.713 461 V HN -0.129 nan 8.190 nan 0.000 0.473 462 F N 2.085 121.976 119.950 -0.097 0.000 2.126 462 F HA -0.174 4.353 4.527 0.001 0.000 0.299 462 F C 2.448 178.303 175.800 0.091 0.000 1.096 462 F CA 2.235 60.164 58.000 -0.118 0.000 1.255 462 F CB -0.300 38.523 39.000 -0.294 0.000 0.997 462 F HN 0.284 nan 8.300 nan 0.000 0.479 463 H N -0.960 118.434 119.070 0.540 0.000 2.539 463 H HA 0.093 4.650 4.556 0.001 0.000 0.267 463 H C 0.310 175.898 175.328 0.433 0.000 0.982 463 H CA 0.267 56.601 56.048 0.477 0.000 1.146 463 H CB -0.233 29.778 29.762 0.414 0.000 1.382 463 H HN 0.265 nan 8.280 nan 0.000 0.577 464 Q N 1.965 122.042 119.800 0.462 0.000 2.314 464 Q HA 0.157 4.498 4.340 0.001 0.000 0.259 464 Q C -0.601 175.648 176.000 0.415 0.000 0.951 464 Q CA -0.416 55.618 55.803 0.385 0.000 0.909 464 Q CB 0.794 29.718 28.738 0.309 0.000 1.236 464 Q HN 0.217 nan 8.270 nan 0.000 0.444 465 E N 3.422 123.820 120.200 0.331 0.000 2.398 465 E HA 0.239 4.590 4.350 0.001 0.000 0.263 465 E C -0.533 176.217 176.600 0.250 0.000 1.046 465 E CA 0.294 56.850 56.400 0.260 0.000 0.908 465 E CB 0.815 30.639 29.700 0.207 0.000 0.963 465 E HN 0.603 nan 8.360 nan 0.000 0.431 466 M N 1.765 121.517 119.600 0.253 0.000 2.457 466 M HA 0.346 4.827 4.480 0.001 0.000 0.300 466 M C -1.211 175.213 176.300 0.206 0.000 1.141 466 M CA -0.973 54.480 55.300 0.256 0.000 0.901 466 M CB 2.348 35.154 32.600 0.344 0.000 1.687 466 M HN 0.169 nan 8.290 nan 0.000 0.449 467 V N 2.223 122.270 119.914 0.222 0.000 2.435 467 V HA 0.472 4.593 4.120 0.001 0.000 0.290 467 V C -0.538 175.730 176.094 0.290 0.000 1.030 467 V CA -0.703 61.759 62.300 0.269 0.000 0.881 467 V CB 1.601 33.619 31.823 0.326 0.000 0.983 467 V HN 0.788 nan 8.190 nan 0.000 0.445 468 N N 3.678 122.535 118.700 0.262 0.000 2.342 468 N HA 0.691 5.432 4.740 0.001 0.000 0.293 468 N C -1.230 174.432 175.510 0.253 0.000 1.026 468 N CA -0.423 52.704 53.050 0.128 0.000 0.857 468 N CB 1.636 40.176 38.487 0.088 0.000 1.256 468 N HN 0.666 nan 8.380 nan 0.000 0.484 469 Y N 0.064 120.386 120.300 0.036 0.000 2.741 469 Y HA 0.553 5.103 4.550 0.001 0.000 0.339 469 Y C -1.420 174.486 175.900 0.009 0.000 1.226 469 Y CA -1.217 56.897 58.100 0.024 0.000 1.072 469 Y CB 0.653 39.131 38.460 0.031 0.000 1.331 469 Y HN 0.219 nan 8.280 nan 0.000 0.453 470 I N 3.156 123.811 120.570 0.142 0.000 2.330 470 I HA 0.435 4.606 4.170 0.001 0.000 0.289 470 I C -0.708 175.463 176.117 0.089 0.000 1.001 470 I CA -0.408 60.915 61.300 0.039 0.000 1.193 470 I CB 1.108 39.122 38.000 0.024 0.000 1.345 470 I HN 0.432 nan 8.210 nan 0.000 0.461 471 L N 4.630 125.869 121.223 0.027 0.000 2.334 471 L HA 0.587 4.928 4.340 0.001 0.000 0.270 471 L C 0.148 177.016 176.870 -0.003 0.000 1.018 471 L CA -0.532 54.337 54.840 0.048 0.000 0.811 471 L CB 1.936 44.016 42.059 0.036 0.000 1.271 471 L HN 0.513 nan 8.230 nan 0.000 0.443 472 S N 0.904 116.615 115.700 0.017 0.000 2.532 472 S HA 0.600 5.071 4.470 0.001 0.000 0.301 472 S C -2.545 172.065 174.600 0.017 0.000 1.083 472 S CA -1.482 56.715 58.200 -0.006 0.000 1.025 472 S CB 1.781 64.991 63.200 0.016 0.000 1.056 472 S HN 0.229 nan 8.310 nan 0.000 0.494 473 P HA 0.298 nan 4.420 nan 0.000 0.266 473 P C -1.455 175.729 177.300 -0.195 0.000 1.193 473 P CA 0.104 63.119 63.100 -0.141 0.000 0.770 473 P CB 0.447 32.026 31.700 -0.202 0.000 0.836 474 A N 2.212 124.882 122.820 -0.250 0.000 2.515 474 A HA 0.680 5.001 4.320 0.001 0.000 0.298 474 A C -1.358 176.014 177.584 -0.353 0.000 1.059 474 A CA -0.504 51.391 52.037 -0.237 0.000 0.698 474 A CB 0.803 19.725 19.000 -0.129 0.000 1.289 474 A HN 0.309 nan 8.150 nan 0.000 0.404 475 F N 1.459 121.310 119.950 -0.165 0.000 2.394 475 F HA 0.624 5.152 4.527 0.001 0.000 0.340 475 F C 1.128 176.800 175.800 -0.214 0.000 1.105 475 F CA 0.297 58.194 58.000 -0.171 0.000 1.124 475 F CB 1.430 40.289 39.000 -0.234 0.000 1.145 475 F HN 0.525 nan 8.300 nan 0.000 0.505 476 R N 1.924 122.421 120.500 -0.004 0.000 2.795 476 R HA 0.445 4.786 4.340 0.001 0.000 0.275 476 R C -1.592 174.641 176.300 -0.111 0.000 0.981 476 R CA -1.248 54.776 56.100 -0.127 0.000 0.917 476 R CB 1.479 31.747 30.300 -0.052 0.000 1.202 476 R HN 0.388 nan 8.270 nan 0.000 0.469 477 Y N 1.510 121.826 120.300 0.027 0.000 2.379 477 Y HA 0.100 4.651 4.550 0.002 0.000 0.337 477 Y C 0.837 176.736 175.900 -0.003 0.000 1.238 477 Y CA 0.005 58.112 58.100 0.013 0.000 1.405 477 Y CB 0.668 39.123 38.460 -0.009 0.000 1.310 477 Y HN 0.476 nan 8.280 nan 0.000 0.569 478 Q N 1.675 121.569 119.800 0.158 0.000 2.456 478 Q HA 0.619 4.960 4.340 0.001 0.000 0.284 478 Q C -3.155 172.822 176.000 -0.038 0.000 1.061 478 Q CA -2.507 53.323 55.803 0.044 0.000 0.799 478 Q CB 2.229 30.985 28.738 0.031 0.000 1.445 478 Q HN 0.243 nan 8.270 nan 0.000 0.411 479 P HA 0.040 nan 4.420 nan 0.000 0.267 479 P C -0.873 176.238 177.300 -0.316 0.000 1.200 479 P CA 0.125 63.115 63.100 -0.183 0.000 0.772 479 P CB 0.353 31.956 31.700 -0.161 0.000 0.855 480 D N 3.496 123.589 120.400 -0.511 0.000 2.414 480 D HA 0.014 4.655 4.640 0.001 0.000 0.242 480 D C -1.055 174.689 176.300 -0.928 0.000 1.129 480 D CA -0.946 52.493 54.000 -0.933 0.000 0.885 480 D CB 0.329 40.174 40.800 -1.591 0.000 1.198 480 D HN 0.290 nan 8.370 nan 0.000 0.437 481 P HA -0.048 nan 4.420 nan 0.000 0.226 481 P C 0.252 177.229 177.300 -0.538 0.000 1.153 481 P CA 0.729 63.460 63.100 -0.616 0.000 0.777 481 P CB 0.129 31.451 31.700 -0.630 0.000 0.794 482 W N 0.000 120.862 121.300 -0.730 0.000 2.388 482 W HA 0.000 4.661 4.660 0.001 0.000 0.303 482 W CA 0.000 57.084 57.345 -0.434 0.000 1.226 482 W CB 0.000 29.144 29.460 -0.526 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535