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 1m9j_1_A DATA FIRST_RESID 67 DATA SEQUENCE KFPRVKNWEV GSITYDTLSA QAQQDGPCTP RRCLGSLVFX XXXXXXXXXX DATA SEQUENCE XXXPEQLLSQ ARDFINQYYS SIKRSGSQAH EQRLQEVEAE VAATGTYQLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCRSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRCP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEPPELFLLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFPAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINVAV LHSYQLAKVT DATA SEQUENCE IVDHHAATAS FMKHLENEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YFLSPAFRYQ 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 67 K HA 0.000 nan 4.320 nan 0.000 0.191 67 K C 0.000 176.425 176.600 -0.291 0.000 0.988 67 K CA 0.000 56.066 56.287 -0.368 0.000 0.838 67 K CB 0.000 32.067 32.500 -0.722 0.000 1.064 68 F N 4.344 124.297 119.950 0.005 0.000 2.388 68 F HA 0.394 4.922 4.527 0.002 0.000 0.358 68 F C -1.983 173.896 175.800 0.132 0.000 1.122 68 F CA -2.077 55.953 58.000 0.049 0.000 1.056 68 F CB 1.287 40.306 39.000 0.032 0.000 1.155 68 F HN -0.160 nan 8.300 nan 0.000 0.461 69 P HA 0.032 nan 4.420 nan 0.000 0.266 69 P C -0.527 176.898 177.300 0.208 0.000 1.215 69 P CA -0.227 62.991 63.100 0.197 0.000 0.763 69 P CB 0.505 32.285 31.700 0.134 0.000 0.806 70 R N 3.325 123.926 120.500 0.168 0.000 2.316 70 R HA 0.308 4.648 4.340 0.001 0.000 0.314 70 R C -1.053 175.204 176.300 -0.071 0.000 1.069 70 R CA -0.311 55.776 56.100 -0.021 0.000 0.959 70 R CB 0.278 30.600 30.300 0.036 0.000 0.987 70 R HN 0.213 nan 8.270 nan 0.000 0.446 71 V N 5.822 125.638 119.914 -0.163 0.000 2.357 71 V HA 0.302 4.423 4.120 0.001 0.000 0.284 71 V C -0.137 175.864 176.094 -0.156 0.000 1.018 71 V CA -0.592 61.656 62.300 -0.086 0.000 0.841 71 V CB 1.305 33.107 31.823 -0.035 0.000 0.991 71 V HN 0.724 nan 8.190 nan 0.000 0.437 72 K N 4.142 124.461 120.400 -0.135 0.000 2.259 72 K HA 0.429 4.750 4.320 0.001 0.000 0.249 72 K C -0.595 175.871 176.600 -0.223 0.000 0.942 72 K CA -0.736 55.382 56.287 -0.281 0.000 0.816 72 K CB 1.528 33.707 32.500 -0.536 0.000 1.155 72 K HN 0.672 nan 8.250 nan 0.000 0.428 73 N N 3.955 122.519 118.700 -0.227 0.000 2.457 73 N HA 0.091 4.832 4.740 0.001 0.000 0.250 73 N C -0.149 175.274 175.510 -0.144 0.000 0.982 73 N CA -0.345 52.677 53.050 -0.047 0.000 0.941 73 N CB 0.459 38.951 38.487 0.008 0.000 1.120 73 N HN 0.672 nan 8.380 nan 0.000 0.505 74 W N 2.321 123.692 121.300 0.118 0.000 2.467 74 W HA 0.040 4.701 4.660 0.002 0.000 0.275 74 W C 2.143 178.706 176.519 0.074 0.000 1.239 74 W CA 0.201 57.608 57.345 0.104 0.000 1.266 74 W CB 0.127 29.672 29.460 0.141 0.000 1.112 74 W HN 0.669 nan 8.180 nan 0.000 0.576 75 E N 0.370 120.715 120.200 0.242 0.000 2.028 75 E HA -0.194 4.157 4.350 0.001 0.000 0.191 75 E C 1.768 178.392 176.600 0.040 0.000 0.988 75 E CA 2.040 58.478 56.400 0.063 0.000 0.799 75 E CB -0.186 29.512 29.700 -0.005 0.000 0.755 75 E HN 0.109 nan 8.360 nan 0.000 0.447 76 V N -0.761 119.173 119.914 0.033 0.000 2.825 76 V HA 0.196 4.317 4.120 0.001 0.000 0.246 76 V C 1.694 177.769 176.094 -0.031 0.000 1.068 76 V CA 0.959 63.259 62.300 0.001 0.000 1.088 76 V CB 0.403 32.226 31.823 0.000 0.000 0.733 76 V HN 0.636 nan 8.190 nan 0.000 0.468 77 G N 1.116 109.871 108.800 -0.075 0.000 2.176 77 G HA2 -0.241 3.720 3.960 0.001 0.000 0.232 77 G HA3 -0.241 3.720 3.960 0.001 0.000 0.232 77 G C 0.444 175.244 174.900 -0.168 0.000 0.986 77 G CA 0.326 45.335 45.100 -0.151 0.000 0.643 77 G HN 0.853 nan 8.290 nan 0.000 0.522 78 S N -0.204 115.419 115.700 -0.127 0.000 2.572 78 S HA 0.696 5.167 4.470 0.001 0.000 0.279 78 S C 0.213 174.709 174.600 -0.173 0.000 1.341 78 S CA -0.119 58.009 58.200 -0.120 0.000 1.043 78 S CB 1.635 64.787 63.200 -0.079 0.000 0.887 78 S HN 0.668 nan 8.310 nan 0.000 0.516 79 I N 1.789 122.253 120.570 -0.176 0.000 2.647 79 I HA 0.551 4.722 4.170 0.001 0.000 0.295 79 I C -0.005 175.945 176.117 -0.279 0.000 1.078 79 I CA -0.529 60.618 61.300 -0.255 0.000 1.048 79 I CB 2.667 40.500 38.000 -0.278 0.000 1.239 79 I HN 1.012 nan 8.210 nan 0.000 0.421 80 T N 0.766 115.090 114.554 -0.383 0.000 2.841 80 T HA 0.625 4.976 4.350 0.001 0.000 0.296 80 T C -1.401 172.960 174.700 -0.566 0.000 1.166 80 T CA -0.803 61.091 62.100 -0.342 0.000 1.007 80 T CB 1.666 70.441 68.868 -0.155 0.000 1.253 80 T HN 0.299 nan 8.240 nan 0.000 0.511 81 Y N -0.016 120.253 120.300 -0.052 0.000 2.376 81 Y HA 0.468 5.019 4.550 0.001 0.000 0.340 81 Y C -0.032 175.817 175.900 -0.085 0.000 0.965 81 Y CA -0.994 57.080 58.100 -0.043 0.000 1.078 81 Y CB 1.795 40.221 38.460 -0.057 0.000 1.193 81 Y HN 0.695 nan 8.280 nan 0.000 0.452 82 D N 2.464 122.921 120.400 0.094 0.000 2.441 82 D HA 0.053 4.694 4.640 0.001 0.000 0.221 82 D C 0.710 177.007 176.300 -0.006 0.000 1.156 82 D CA 0.161 54.183 54.000 0.036 0.000 0.896 82 D CB 0.979 41.827 40.800 0.080 0.000 1.028 82 D HN 0.821 nan 8.370 nan 0.000 0.509 83 T N 0.750 115.214 114.554 -0.150 0.000 3.107 83 T HA -0.051 4.300 4.350 0.001 0.000 0.249 83 T C 1.677 176.321 174.700 -0.093 0.000 1.096 83 T CA -0.201 61.756 62.100 -0.238 0.000 1.012 83 T CB 0.196 68.695 68.868 -0.614 0.000 0.977 83 T HN 0.251 nan 8.240 nan 0.000 0.527 84 L N 2.433 123.598 121.223 -0.097 0.000 2.270 84 L HA 0.214 4.554 4.340 0.001 0.000 0.210 84 L C 2.432 179.149 176.870 -0.255 0.000 1.104 84 L CA 1.473 56.263 54.840 -0.084 0.000 0.804 84 L CB -0.614 41.457 42.059 0.021 0.000 0.937 84 L HN 0.391 nan 8.230 nan 0.000 0.450 85 S N -0.451 114.922 115.700 -0.545 0.000 2.447 85 S HA -0.047 4.424 4.470 0.001 0.000 0.233 85 S C 1.990 176.371 174.600 -0.365 0.000 1.006 85 S CA 0.641 58.258 58.200 -0.972 0.000 0.957 85 S CB -0.868 61.745 63.200 -0.979 0.000 0.773 85 S HN 0.457 nan 8.310 nan 0.000 0.507 86 A N 0.885 123.619 122.820 -0.143 0.000 2.248 86 A HA 0.065 4.385 4.320 0.001 0.000 0.210 86 A C 1.741 179.315 177.584 -0.017 0.000 1.174 86 A CA 0.664 52.681 52.037 -0.033 0.000 0.750 86 A CB -0.389 18.649 19.000 0.063 0.000 0.780 86 A HN 0.692 nan 8.150 nan 0.000 0.478 87 Q N -0.503 119.278 119.800 -0.033 0.000 2.155 87 Q HA 0.423 4.764 4.340 0.001 0.000 0.220 87 Q C 0.180 176.212 176.000 0.053 0.000 0.819 87 Q CA 0.034 55.848 55.803 0.019 0.000 1.032 87 Q CB 0.725 29.481 28.738 0.029 0.000 1.151 87 Q HN 0.477 nan 8.270 nan 0.000 0.487 88 A N 1.035 123.883 122.820 0.048 0.000 2.496 88 A HA -0.008 4.313 4.320 0.001 0.000 0.278 88 A C 0.753 178.435 177.584 0.163 0.000 1.137 88 A CA -0.090 52.040 52.037 0.155 0.000 0.805 88 A CB 0.353 19.465 19.000 0.187 0.000 1.077 88 A HN 0.267 nan 8.150 nan 0.000 0.513 89 Q N 1.051 120.972 119.800 0.201 0.000 2.077 89 Q HA -0.195 4.146 4.340 0.001 0.000 0.206 89 Q C 1.372 177.462 176.000 0.150 0.000 0.989 89 Q CA 2.137 58.049 55.803 0.182 0.000 0.853 89 Q CB -0.085 28.786 28.738 0.221 0.000 0.907 89 Q HN 0.904 nan 8.270 nan 0.000 0.418 90 Q N -0.203 119.715 119.800 0.198 0.000 2.194 90 Q HA 0.218 4.559 4.340 0.001 0.000 0.245 90 Q C -1.168 174.854 176.000 0.035 0.000 0.993 90 Q CA -0.754 55.047 55.803 -0.003 0.000 0.930 90 Q CB 1.209 29.686 28.738 -0.435 0.000 1.238 90 Q HN -0.014 nan 8.270 nan 0.000 0.486 91 D N 0.279 120.658 120.400 -0.035 0.000 2.278 91 D HA 0.420 5.061 4.640 0.001 0.000 0.245 91 D C -0.530 175.775 176.300 0.008 0.000 1.052 91 D CA -0.108 53.899 54.000 0.012 0.000 0.834 91 D CB 1.701 42.503 40.800 0.002 0.000 1.194 91 D HN 0.653 nan 8.370 nan 0.000 0.481 92 G N 1.295 110.133 108.800 0.063 0.000 2.580 92 G HA2 0.320 4.280 3.960 0.001 0.000 0.278 92 G HA3 0.320 4.280 3.960 0.001 0.000 0.278 92 G C -1.139 173.793 174.900 0.053 0.000 1.212 92 G CA -0.782 44.362 45.100 0.073 0.000 0.939 92 G HN 0.370 nan 8.290 nan 0.000 0.513 93 P HA 0.067 nan 4.420 nan 0.000 0.236 93 P C 0.403 177.734 177.300 0.051 0.000 1.177 93 P CA 0.037 63.169 63.100 0.054 0.000 0.773 93 P CB 0.099 31.840 31.700 0.068 0.000 0.878 94 C N 1.042 120.376 119.300 0.057 0.000 2.604 94 C HA 0.523 4.984 4.460 0.001 0.000 0.396 94 C C 1.118 176.133 174.990 0.041 0.000 1.282 94 C CA 0.144 59.192 59.018 0.051 0.000 2.292 94 C CB 0.604 28.379 27.740 0.059 0.000 2.633 94 C HN 0.410 nan 8.230 nan 0.000 0.620 95 T N -1.114 113.461 114.554 0.034 0.000 2.864 95 T HA 0.416 4.767 4.350 0.001 0.000 0.299 95 T C -2.510 172.204 174.700 0.023 0.000 1.166 95 T CA -1.144 60.972 62.100 0.026 0.000 1.007 95 T CB 1.397 70.277 68.868 0.021 0.000 1.219 95 T HN 0.251 nan 8.240 nan 0.000 0.506 96 P HA 0.063 nan 4.420 nan 0.000 0.222 96 P C 1.580 178.888 177.300 0.013 0.000 1.147 96 P CA 0.411 63.520 63.100 0.016 0.000 0.790 96 P CB 0.174 31.881 31.700 0.012 0.000 0.780 97 R N -0.289 120.219 120.500 0.013 0.000 2.093 97 R HA 0.055 4.396 4.340 0.001 0.000 0.224 97 R C 1.006 177.313 176.300 0.012 0.000 1.101 97 R CA 1.044 57.150 56.100 0.011 0.000 0.979 97 R CB -0.061 30.246 30.300 0.011 0.000 0.877 97 R HN 0.269 nan 8.270 nan 0.000 0.441 98 R N -0.887 119.623 120.500 0.016 0.000 2.629 98 R HA 0.142 4.483 4.340 0.001 0.000 0.266 98 R C -1.478 174.835 176.300 0.023 0.000 1.051 98 R CA -0.661 55.450 56.100 0.017 0.000 0.895 98 R CB 0.144 30.454 30.300 0.017 0.000 1.246 98 R HN -0.008 nan 8.270 nan 0.000 0.459 99 C N 3.955 123.268 119.300 0.022 0.000 2.285 99 C HA 0.566 5.027 4.460 0.001 0.000 0.335 99 C C 0.799 175.811 174.990 0.038 0.000 1.267 99 C CA -0.691 58.345 59.018 0.030 0.000 1.762 99 C CB -0.855 26.898 27.740 0.022 0.000 2.365 99 C HN 0.730 nan 8.230 nan 0.000 0.527 100 L N 5.932 127.185 121.223 0.050 0.000 3.017 100 L HA 0.288 4.629 4.340 0.001 0.000 0.255 100 L C 2.044 178.962 176.870 0.079 0.000 1.247 100 L CA 0.185 55.061 54.840 0.060 0.000 1.038 100 L CB -0.275 41.820 42.059 0.061 0.000 1.380 100 L HN 0.992 nan 8.230 nan 0.000 0.548 101 G N 0.629 109.478 108.800 0.081 0.000 2.462 101 G HA2 -0.279 3.682 3.960 0.001 0.000 0.220 101 G HA3 -0.279 3.682 3.960 0.001 0.000 0.220 101 G C 1.615 176.601 174.900 0.143 0.000 1.121 101 G CA 1.204 46.368 45.100 0.107 0.000 0.758 101 G HN 0.532 nan 8.290 nan 0.000 0.559 102 S N -0.266 115.508 115.700 0.124 0.000 2.562 102 S HA 0.279 4.750 4.470 0.001 0.000 0.221 102 S C 0.934 175.622 174.600 0.148 0.000 0.975 102 S CA -0.351 57.934 58.200 0.142 0.000 0.918 102 S CB -0.032 63.221 63.200 0.089 0.000 0.772 102 S HN 0.031 nan 8.310 nan 0.000 0.531 103 L N 2.529 123.829 121.223 0.129 0.000 2.410 103 L HA 0.183 4.524 4.340 0.001 0.000 0.273 103 L C 1.582 178.524 176.870 0.120 0.000 1.152 103 L CA 0.169 55.078 54.840 0.115 0.000 0.855 103 L CB 0.813 42.936 42.059 0.107 0.000 1.129 103 L HN 0.120 nan 8.230 nan 0.000 0.463 104 V N 4.341 124.287 119.914 0.053 0.000 2.427 104 V HA -0.155 3.966 4.120 0.001 0.000 0.248 104 V C 0.728 176.583 176.094 -0.398 0.000 1.051 104 V CA 1.534 63.751 62.300 -0.139 0.000 1.048 104 V CB -0.356 31.269 31.823 -0.330 0.000 0.666 104 V HN 0.496 nan 8.190 nan 0.000 0.456 121 E N 0.862 121.073 120.200 0.018 0.000 2.150 121 E HA -0.231 4.120 4.350 0.001 0.000 0.193 121 E C 2.003 178.617 176.600 0.024 0.000 0.985 121 E CA 2.026 58.435 56.400 0.017 0.000 0.814 121 E CB -0.537 29.170 29.700 0.012 0.000 0.752 121 E HN 0.466 nan 8.360 nan 0.000 0.466 122 Q N -0.460 119.356 119.800 0.026 0.000 2.119 122 Q HA -0.009 4.332 4.340 0.001 0.000 0.201 122 Q C 2.075 178.104 176.000 0.048 0.000 0.972 122 Q CA 1.608 57.431 55.803 0.032 0.000 0.847 122 Q CB -0.319 28.433 28.738 0.024 0.000 0.903 122 Q HN 0.529 nan 8.270 nan 0.000 0.433 123 L N -0.520 120.735 121.223 0.053 0.000 2.072 123 L HA -0.016 4.325 4.340 0.001 0.000 0.205 123 L C 1.895 178.815 176.870 0.083 0.000 1.079 123 L CA 1.448 56.338 54.840 0.083 0.000 0.752 123 L CB -0.837 41.278 42.059 0.093 0.000 0.906 123 L HN 0.370 nan 8.230 nan 0.000 0.436 124 L N -0.587 120.663 121.223 0.044 0.000 2.141 124 L HA -0.139 4.202 4.340 0.001 0.000 0.209 124 L C 2.821 179.707 176.870 0.025 0.000 1.094 124 L CA 1.952 56.796 54.840 0.007 0.000 0.763 124 L CB -0.903 41.153 42.059 -0.006 0.000 0.908 124 L HN 0.602 nan 8.230 nan 0.000 0.437 125 S N -1.504 114.222 115.700 0.042 0.000 2.383 125 S HA -0.219 4.252 4.470 0.001 0.000 0.227 125 S C 1.883 176.535 174.600 0.086 0.000 1.026 125 S CA 1.237 59.469 58.200 0.054 0.000 0.981 125 S CB -0.205 63.023 63.200 0.047 0.000 0.818 125 S HN 0.615 nan 8.310 nan 0.000 0.472 126 Q N 0.397 120.258 119.800 0.102 0.000 2.123 126 Q HA 0.114 4.455 4.340 0.001 0.000 0.199 126 Q C 2.624 178.744 176.000 0.199 0.000 0.966 126 Q CA 1.238 57.127 55.803 0.144 0.000 0.845 126 Q CB -0.412 28.406 28.738 0.134 0.000 0.907 126 Q HN 0.754 nan 8.270 nan 0.000 0.439 127 A N 1.431 124.354 122.820 0.172 0.000 1.873 127 A HA -0.187 4.134 4.320 0.001 0.000 0.215 127 A C 2.016 179.707 177.584 0.178 0.000 1.186 127 A CA 1.183 53.329 52.037 0.181 0.000 0.616 127 A CB -0.387 18.552 19.000 -0.102 0.000 0.823 127 A HN 0.189 nan 8.150 nan 0.000 0.442 128 R N -0.374 120.185 120.500 0.098 0.000 2.083 128 R HA -0.164 4.177 4.340 0.001 0.000 0.237 128 R C 2.101 178.495 176.300 0.156 0.000 1.137 128 R CA 1.562 57.722 56.100 0.099 0.000 0.951 128 R CB -0.541 29.791 30.300 0.054 0.000 0.851 128 R HN 0.740 nan 8.270 nan 0.000 0.434 129 D N 0.267 120.768 120.400 0.168 0.000 2.092 129 D HA -0.208 4.433 4.640 0.001 0.000 0.193 129 D C 1.781 178.218 176.300 0.227 0.000 0.994 129 D CA 1.180 55.286 54.000 0.178 0.000 0.828 129 D CB -0.030 40.872 40.800 0.169 0.000 0.963 129 D HN 0.097 nan 8.370 nan 0.000 0.450 130 F N 1.782 121.838 119.950 0.176 0.000 2.069 130 F HA -0.219 4.309 4.527 0.001 0.000 0.298 130 F C 2.265 178.229 175.800 0.272 0.000 1.113 130 F CA 1.185 59.325 58.000 0.234 0.000 1.214 130 F CB -0.422 38.719 39.000 0.236 0.000 0.978 130 F HN -0.060 nan 8.300 nan 0.000 0.474 131 I N 1.067 121.685 120.570 0.081 0.000 2.264 131 I HA -0.326 3.845 4.170 0.001 0.000 0.248 131 I C 1.970 178.153 176.117 0.110 0.000 1.111 131 I CA 1.345 62.692 61.300 0.079 0.000 1.382 131 I CB -1.636 36.521 38.000 0.263 0.000 1.060 131 I HN 0.273 nan 8.210 nan 0.000 0.418 132 N N 0.814 119.593 118.700 0.132 0.000 2.188 132 N HA -0.175 4.566 4.740 0.001 0.000 0.184 132 N C 1.835 177.306 175.510 -0.066 0.000 1.018 132 N CA 1.011 54.115 53.050 0.090 0.000 0.858 132 N CB -0.312 38.269 38.487 0.156 0.000 0.989 132 N HN 0.514 nan 8.380 nan 0.000 0.426 133 Q N -0.666 119.100 119.800 -0.057 0.000 2.119 133 Q HA -0.145 4.196 4.340 0.001 0.000 0.201 133 Q C 1.717 177.509 176.000 -0.347 0.000 0.972 133 Q CA 1.092 56.862 55.803 -0.054 0.000 0.847 133 Q CB -0.195 28.638 28.738 0.158 0.000 0.903 133 Q HN 0.494 nan 8.270 nan 0.000 0.433 134 Y N -0.182 119.686 120.300 -0.720 0.000 2.133 134 Y HA -0.279 4.272 4.550 0.001 0.000 0.287 134 Y C 1.655 177.034 175.900 -0.869 0.000 1.134 134 Y CA 1.569 58.932 58.100 -1.229 0.000 1.133 134 Y CB -0.274 37.527 38.460 -1.098 0.000 0.987 134 Y HN 0.046 nan 8.280 nan 0.000 0.502 135 Y N -0.398 119.552 120.300 -0.582 0.000 2.421 135 Y HA -0.185 4.366 4.550 0.001 0.000 0.292 135 Y C 2.691 178.274 175.900 -0.528 0.000 1.136 135 Y CA 1.540 59.284 58.100 -0.594 0.000 1.255 135 Y CB -0.309 37.718 38.460 -0.722 0.000 0.991 135 Y HN 0.109 nan 8.280 nan 0.000 0.552 136 S N -0.935 114.558 115.700 -0.345 0.000 2.414 136 S HA -0.152 4.319 4.470 0.001 0.000 0.227 136 S C 2.219 176.657 174.600 -0.270 0.000 1.022 136 S CA 1.091 59.150 58.200 -0.235 0.000 0.958 136 S CB -0.383 62.731 63.200 -0.143 0.000 0.797 136 S HN 0.618 nan 8.310 nan 0.000 0.493 137 S N 2.378 117.817 115.700 -0.434 0.000 2.423 137 S HA -0.011 4.460 4.470 0.001 0.000 0.231 137 S C 1.524 175.893 174.600 -0.386 0.000 1.014 137 S CA 0.781 58.749 58.200 -0.386 0.000 0.965 137 S CB -0.747 62.142 63.200 -0.518 0.000 0.785 137 S HN 0.706 nan 8.310 nan 0.000 0.495 138 I N -2.296 117.961 120.570 -0.522 0.000 3.891 138 I HA 0.469 4.640 4.170 0.001 0.000 0.331 138 I C -0.116 175.863 176.117 -0.231 0.000 1.406 138 I CA -0.708 60.358 61.300 -0.390 0.000 1.139 138 I CB -0.603 37.092 38.000 -0.509 0.000 1.056 138 I HN -0.047 nan 8.210 nan 0.000 0.399 139 K N 1.785 122.068 120.400 -0.195 0.000 3.077 139 K HA -0.144 4.177 4.320 0.001 0.000 0.264 139 K C 0.158 176.712 176.600 -0.076 0.000 1.008 139 K CA 0.474 56.693 56.287 -0.114 0.000 0.740 139 K CB -1.008 31.442 32.500 -0.084 0.000 1.273 139 K HN 0.461 nan 8.250 nan 0.000 0.477 140 R N -0.586 119.871 120.500 -0.072 0.000 2.629 140 R HA 0.110 4.451 4.340 0.001 0.000 0.408 140 R C -0.062 176.256 176.300 0.031 0.000 1.057 140 R CA -0.291 55.819 56.100 0.017 0.000 1.119 140 R CB 1.132 31.495 30.300 0.106 0.000 1.403 140 R HN 0.158 nan 8.270 nan 0.000 0.576 141 S N -0.045 115.636 115.700 -0.032 0.000 2.537 141 S HA 0.301 4.772 4.470 0.001 0.000 0.286 141 S C 1.326 176.007 174.600 0.135 0.000 1.299 141 S CA 1.435 59.627 58.200 -0.014 0.000 1.067 141 S CB 0.419 63.599 63.200 -0.033 0.000 0.864 141 S HN 0.722 nan 8.310 nan 0.000 0.494 142 G N 3.122 112.151 108.800 0.381 0.000 2.176 142 G HA2 -0.281 3.680 3.960 0.001 0.000 0.253 142 G HA3 -0.281 3.680 3.960 0.001 0.000 0.253 142 G C 0.275 175.201 174.900 0.043 0.000 0.979 142 G CA 0.410 45.592 45.100 0.137 0.000 0.641 142 G HN 1.490 nan 8.290 nan 0.000 0.530 143 S N -0.636 115.102 115.700 0.063 0.000 2.617 143 S HA 0.514 4.985 4.470 0.001 0.000 0.259 143 S C 1.277 175.853 174.600 -0.040 0.000 1.301 143 S CA 0.763 58.970 58.200 0.011 0.000 0.984 143 S CB 1.430 64.650 63.200 0.034 0.000 0.954 143 S HN 0.515 nan 8.310 nan 0.000 0.572 144 Q N 0.902 120.681 119.800 -0.034 0.000 2.046 144 Q HA 0.023 4.364 4.340 0.001 0.000 0.200 144 Q C 2.201 178.158 176.000 -0.071 0.000 0.975 144 Q CA 2.118 57.890 55.803 -0.052 0.000 0.836 144 Q CB -1.150 27.573 28.738 -0.026 0.000 0.896 144 Q HN 0.914 nan 8.270 nan 0.000 0.428 145 A N -0.253 122.544 122.820 -0.039 0.000 1.978 145 A HA -0.257 4.064 4.320 0.001 0.000 0.220 145 A C 2.065 179.501 177.584 -0.246 0.000 1.170 145 A CA 1.795 53.815 52.037 -0.027 0.000 0.636 145 A CB -1.076 17.993 19.000 0.116 0.000 0.810 145 A HN 0.749 nan 8.150 nan 0.000 0.448 146 H N -1.083 117.617 119.070 -0.618 0.000 2.299 146 H HA -0.163 4.394 4.556 0.001 0.000 0.302 146 H C 2.222 177.240 175.328 -0.516 0.000 1.078 146 H CA 1.610 57.001 56.048 -1.096 0.000 1.323 146 H CB 0.085 29.401 29.762 -0.742 0.000 1.381 146 H HN 0.500 nan 8.280 nan 0.000 0.498 147 E N 0.798 120.771 120.200 -0.379 0.000 2.085 147 E HA -0.196 4.155 4.350 0.001 0.000 0.194 147 E C 2.402 178.891 176.600 -0.184 0.000 0.994 147 E CA 1.620 57.833 56.400 -0.312 0.000 0.801 147 E CB -0.126 29.443 29.700 -0.219 0.000 0.743 147 E HN 0.586 nan 8.360 nan 0.000 0.453 148 Q N -0.440 119.282 119.800 -0.131 0.000 2.061 148 Q HA -0.148 4.193 4.340 0.001 0.000 0.204 148 Q C 2.383 178.359 176.000 -0.040 0.000 0.984 148 Q CA 1.301 57.065 55.803 -0.065 0.000 0.846 148 Q CB -0.160 28.560 28.738 -0.030 0.000 0.902 148 Q HN 0.106 nan 8.270 nan 0.000 0.421 149 R N 0.626 121.105 120.500 -0.035 0.000 2.091 149 R HA -0.112 4.229 4.340 0.001 0.000 0.238 149 R C 2.225 178.537 176.300 0.021 0.000 1.136 149 R CA 1.118 57.249 56.100 0.051 0.000 0.959 149 R CB -0.557 29.857 30.300 0.191 0.000 0.856 149 R HN 0.318 nan 8.270 nan 0.000 0.437 150 L N 0.454 121.656 121.223 -0.036 0.000 2.046 150 L HA -0.213 4.128 4.340 0.001 0.000 0.208 150 L C 2.611 179.443 176.870 -0.064 0.000 1.077 150 L CA 1.495 56.303 54.840 -0.053 0.000 0.747 150 L CB -0.381 41.606 42.059 -0.120 0.000 0.896 150 L HN 0.229 nan 8.230 nan 0.000 0.432 151 Q N -0.517 119.243 119.800 -0.066 0.000 2.119 151 Q HA -0.246 4.095 4.340 0.001 0.000 0.201 151 Q C 2.119 178.099 176.000 -0.034 0.000 0.972 151 Q CA 1.463 57.235 55.803 -0.052 0.000 0.847 151 Q CB -0.058 28.650 28.738 -0.050 0.000 0.903 151 Q HN 0.483 nan 8.270 nan 0.000 0.433 152 E N 0.533 120.721 120.200 -0.019 0.000 2.110 152 E HA -0.171 4.180 4.350 0.001 0.000 0.193 152 E C 2.032 178.628 176.600 -0.007 0.000 0.988 152 E CA 1.469 57.870 56.400 0.003 0.000 0.804 152 E CB 0.117 29.834 29.700 0.029 0.000 0.745 152 E HN 0.310 nan 8.360 nan 0.000 0.458 153 V N -1.135 118.749 119.914 -0.050 0.000 2.453 153 V HA -0.135 3.986 4.120 0.001 0.000 0.247 153 V C 1.745 177.749 176.094 -0.149 0.000 1.048 153 V CA 1.806 64.013 62.300 -0.155 0.000 1.049 153 V CB -0.486 31.103 31.823 -0.390 0.000 0.672 153 V HN 0.163 nan 8.190 nan 0.000 0.457 154 E N 1.184 121.322 120.200 -0.103 0.000 2.204 154 E HA -0.064 4.287 4.350 0.001 0.000 0.194 154 E C 2.336 178.917 176.600 -0.032 0.000 0.989 154 E CA 1.281 57.640 56.400 -0.069 0.000 0.824 154 E CB -0.301 29.367 29.700 -0.054 0.000 0.756 154 E HN 0.764 nan 8.360 nan 0.000 0.477 155 A N 1.440 124.248 122.820 -0.019 0.000 1.897 155 A HA -0.171 4.150 4.320 0.001 0.000 0.215 155 A C 1.906 179.502 177.584 0.019 0.000 1.181 155 A CA 0.994 53.031 52.037 0.001 0.000 0.620 155 A CB -0.229 18.774 19.000 0.005 0.000 0.821 155 A HN 0.108 nan 8.150 nan 0.000 0.443 156 E N -0.200 120.020 120.200 0.033 0.000 2.110 156 E HA -0.125 4.226 4.350 0.001 0.000 0.193 156 E C 1.934 178.578 176.600 0.073 0.000 0.988 156 E CA 1.278 57.719 56.400 0.069 0.000 0.804 156 E CB -0.226 29.550 29.700 0.126 0.000 0.745 156 E HN 0.405 nan 8.360 nan 0.000 0.458 157 V N 1.227 121.176 119.914 0.058 0.000 2.358 157 V HA -0.229 3.892 4.120 0.001 0.000 0.246 157 V C 2.301 178.418 176.094 0.038 0.000 1.047 157 V CA 1.752 64.089 62.300 0.061 0.000 1.035 157 V CB -0.567 31.279 31.823 0.037 0.000 0.658 157 V HN 0.298 nan 8.190 nan 0.000 0.452 158 A N -0.243 122.591 122.820 0.023 0.000 1.969 158 A HA -0.007 4.314 4.320 0.001 0.000 0.218 158 A C 2.305 179.901 177.584 0.021 0.000 1.169 158 A CA 1.945 53.992 52.037 0.017 0.000 0.635 158 A CB -0.485 18.521 19.000 0.009 0.000 0.810 158 A HN 0.554 nan 8.150 nan 0.000 0.445 159 A N -1.094 121.742 122.820 0.026 0.000 1.984 159 A HA 0.141 4.461 4.320 0.001 0.000 0.214 159 A C 2.103 179.704 177.584 0.030 0.000 1.173 159 A CA 1.968 54.020 52.037 0.026 0.000 0.673 159 A CB -0.391 18.625 19.000 0.027 0.000 0.830 159 A HN 0.744 nan 8.150 nan 0.000 0.453 160 T N -6.304 108.273 114.554 0.039 0.000 3.004 160 T HA 0.432 4.783 4.350 0.001 0.000 0.266 160 T C 1.328 176.051 174.700 0.038 0.000 0.986 160 T CA 1.086 63.209 62.100 0.038 0.000 0.902 160 T CB 0.435 69.330 68.868 0.045 0.000 1.118 160 T HN 1.648 nan 8.240 nan 0.000 0.522 161 G N 0.404 109.230 108.800 0.044 0.000 2.162 161 G HA2 -0.186 3.774 3.960 0.001 0.000 0.260 161 G HA3 -0.186 3.774 3.960 0.001 0.000 0.260 161 G C 0.175 175.112 174.900 0.061 0.000 0.976 161 G CA 0.661 45.786 45.100 0.043 0.000 0.655 161 G HN 1.062 nan 8.290 nan 0.000 0.533 162 T N -1.587 113.020 114.554 0.089 0.000 2.661 162 T HA 0.677 5.028 4.350 0.001 0.000 0.305 162 T C -1.357 173.477 174.700 0.223 0.000 1.441 162 T CA 0.375 62.550 62.100 0.126 0.000 0.999 162 T CB 1.281 70.162 68.868 0.021 0.000 1.650 162 T HN 1.571 nan 8.240 nan 0.000 0.489 163 Y N -0.406 119.894 120.300 0.001 0.000 2.705 163 Y HA 0.855 5.406 4.550 0.001 0.000 0.332 163 Y C -1.619 174.292 175.900 0.018 0.000 1.221 163 Y CA -1.212 56.899 58.100 0.018 0.000 1.059 163 Y CB 1.122 39.603 38.460 0.036 0.000 1.298 163 Y HN 0.520 nan 8.280 nan 0.000 0.459 164 Q N 1.622 121.456 119.800 0.058 0.000 2.342 164 Q HA 0.584 4.925 4.340 0.001 0.000 0.267 164 Q C -1.142 174.910 176.000 0.085 0.000 1.038 164 Q CA -0.623 55.161 55.803 -0.031 0.000 0.832 164 Q CB 2.546 31.303 28.738 0.032 0.000 1.323 164 Q HN 0.735 nan 8.270 nan 0.000 0.448 165 L N 1.532 122.774 121.223 0.031 0.000 2.456 165 L HA 0.495 4.836 4.340 0.001 0.000 0.257 165 L C 0.326 177.247 176.870 0.086 0.000 1.162 165 L CA -0.575 54.335 54.840 0.115 0.000 0.808 165 L CB 0.728 42.837 42.059 0.083 0.000 1.136 165 L HN 0.418 nan 8.230 nan 0.000 0.466 166 R N 0.472 121.014 120.500 0.069 0.000 2.500 166 R HA 0.100 4.440 4.340 0.001 0.000 0.277 166 R C 0.855 177.156 176.300 0.000 0.000 1.026 166 R CA -0.522 55.591 56.100 0.023 0.000 1.058 166 R CB 1.278 31.572 30.300 -0.011 0.000 1.078 166 R HN 0.624 nan 8.270 nan 0.000 0.509 167 E N 1.309 121.510 120.200 0.002 0.000 2.086 167 E HA -0.301 4.050 4.350 0.001 0.000 0.205 167 E C 1.458 178.060 176.600 0.003 0.000 1.027 167 E CA 2.539 58.939 56.400 -0.001 0.000 0.830 167 E CB 0.048 29.752 29.700 0.007 0.000 0.751 167 E HN 0.695 nan 8.360 nan 0.000 0.456 168 S N 0.080 115.777 115.700 -0.004 0.000 2.400 168 S HA -0.225 4.246 4.470 0.001 0.000 0.232 168 S C 1.770 176.390 174.600 0.034 0.000 1.025 168 S CA 1.524 59.743 58.200 0.031 0.000 0.993 168 S CB -0.380 62.840 63.200 0.033 0.000 0.808 168 S HN 0.372 nan 8.310 nan 0.000 0.478 169 E N 0.808 120.942 120.200 -0.111 0.000 2.072 169 E HA -0.001 4.350 4.350 0.001 0.000 0.190 169 E C 2.044 178.823 176.600 0.299 0.000 0.982 169 E CA 0.970 57.391 56.400 0.035 0.000 0.803 169 E CB -0.300 29.433 29.700 0.055 0.000 0.755 169 E HN 0.421 nan 8.360 nan 0.000 0.453 170 L N 0.863 122.144 121.223 0.097 0.000 2.046 170 L HA -0.156 4.185 4.340 0.001 0.000 0.208 170 L C 2.164 179.030 176.870 -0.007 0.000 1.077 170 L CA 1.395 56.218 54.840 -0.029 0.000 0.747 170 L CB -0.360 41.628 42.059 -0.119 0.000 0.896 170 L HN -0.051 nan 8.230 nan 0.000 0.432 171 V N -0.353 119.591 119.914 0.049 0.000 2.255 171 V HA -0.332 3.789 4.120 0.001 0.000 0.247 171 V C 2.352 178.532 176.094 0.144 0.000 1.051 171 V CA 2.269 64.604 62.300 0.059 0.000 1.018 171 V CB -1.016 30.851 31.823 0.073 0.000 0.641 171 V HN 0.575 nan 8.190 nan 0.000 0.445 172 F N 1.996 122.036 119.950 0.151 0.000 2.095 172 F HA -0.063 4.465 4.527 0.002 0.000 0.298 172 F C 2.164 178.112 175.800 0.246 0.000 1.104 172 F CA 1.764 59.903 58.000 0.231 0.000 1.232 172 F CB -0.997 38.219 39.000 0.360 0.000 0.987 172 F HN 0.117 nan 8.300 nan 0.000 0.475 173 G N -0.072 108.769 108.800 0.068 0.000 2.459 173 G HA2 -0.257 3.704 3.960 0.001 0.000 0.217 173 G HA3 -0.257 3.704 3.960 0.001 0.000 0.217 173 G C 1.867 176.618 174.900 -0.248 0.000 1.183 173 G CA 1.109 46.153 45.100 -0.094 0.000 0.776 173 G HN 0.661 nan 8.290 nan 0.000 0.552 174 A N 0.788 123.492 122.820 -0.194 0.000 1.917 174 A HA -0.109 4.212 4.320 0.001 0.000 0.219 174 A C 2.316 179.868 177.584 -0.054 0.000 1.182 174 A CA 2.214 54.141 52.037 -0.182 0.000 0.633 174 A CB -0.413 18.516 19.000 -0.118 0.000 0.819 174 A HN 0.420 nan 8.150 nan 0.000 0.448 175 K N -0.871 119.537 120.400 0.013 0.000 2.026 175 K HA -0.142 4.179 4.320 0.001 0.000 0.208 175 K C 2.329 178.994 176.600 0.108 0.000 1.048 175 K CA 1.397 57.808 56.287 0.207 0.000 0.929 175 K CB -0.172 32.496 32.500 0.279 0.000 0.713 175 K HN 0.442 nan 8.250 nan 0.000 0.439 176 Q N 0.159 119.838 119.800 -0.201 0.000 2.124 176 Q HA -0.102 4.239 4.340 0.001 0.000 0.202 176 Q C 2.190 178.010 176.000 -0.300 0.000 0.977 176 Q CA 1.463 57.048 55.803 -0.363 0.000 0.850 176 Q CB -0.311 28.130 28.738 -0.495 0.000 0.901 176 Q HN 0.329 nan 8.270 nan 0.000 0.429 177 A N 0.220 122.846 122.820 -0.323 0.000 1.978 177 A HA -0.184 4.136 4.320 0.001 0.000 0.220 177 A C 1.786 179.312 177.584 -0.097 0.000 1.170 177 A CA 1.344 53.080 52.037 -0.502 0.000 0.636 177 A CB -0.781 17.520 19.000 -1.164 0.000 0.810 177 A HN 0.520 nan 8.150 nan 0.000 0.448 178 W N 0.748 122.028 121.300 -0.033 0.000 2.444 178 W HA -0.047 4.614 4.660 0.001 0.000 0.308 178 W C 2.344 178.788 176.519 -0.126 0.000 1.183 178 W CA 1.252 58.635 57.345 0.062 0.000 1.340 178 W CB -0.738 28.758 29.460 0.059 0.000 1.138 178 W HN 0.366 nan 8.180 nan 0.000 0.510 179 R N 0.525 120.907 120.500 -0.197 0.000 2.139 179 R HA -0.208 4.133 4.340 0.001 0.000 0.243 179 R C 1.400 177.471 176.300 -0.381 0.000 1.145 179 R CA 1.968 57.705 56.100 -0.605 0.000 0.976 179 R CB -0.582 29.005 30.300 -1.189 0.000 0.866 179 R HN 0.106 nan 8.270 nan 0.000 0.449 180 N N 0.264 118.789 118.700 -0.292 0.000 2.412 180 N HA 0.029 4.770 4.740 0.001 0.000 0.184 180 N C -0.324 175.045 175.510 -0.236 0.000 1.101 180 N CA 0.689 53.571 53.050 -0.280 0.000 0.881 180 N CB 0.437 38.728 38.487 -0.326 0.000 0.969 180 N HN 0.189 nan 8.380 nan 0.000 0.459 181 A N 2.086 124.833 122.820 -0.121 0.000 2.473 181 A HA 0.230 4.550 4.320 0.001 0.000 0.282 181 A C -1.273 176.237 177.584 -0.124 0.000 1.163 181 A CA -0.895 51.082 52.037 -0.100 0.000 0.827 181 A CB 0.300 19.308 19.000 0.014 0.000 1.098 181 A HN 0.009 nan 8.150 nan 0.000 0.515 182 P HA -0.098 nan 4.420 nan 0.000 0.222 182 P C 0.984 178.199 177.300 -0.142 0.000 1.147 182 P CA 1.092 64.100 63.100 -0.155 0.000 0.790 182 P CB 0.174 31.763 31.700 -0.186 0.000 0.780 183 R N -2.195 118.182 120.500 -0.205 0.000 2.334 183 R HA 0.181 4.522 4.340 0.001 0.000 0.216 183 R C 0.119 176.362 176.300 -0.094 0.000 0.905 183 R CA -0.140 55.843 56.100 -0.194 0.000 1.064 183 R CB -0.331 29.657 30.300 -0.519 0.000 1.046 183 R HN 0.154 nan 8.270 nan 0.000 0.508 184 C N 0.766 120.005 119.300 -0.101 0.000 2.265 184 C HA 0.232 4.693 4.460 0.001 0.000 0.332 184 C C 1.854 176.748 174.990 -0.161 0.000 1.248 184 C CA -0.646 58.339 59.018 -0.056 0.000 1.727 184 C CB 0.548 28.333 27.740 0.074 0.000 2.348 184 C HN 0.291 nan 8.230 nan 0.000 0.519 185 V N 5.852 125.635 119.914 -0.219 0.000 3.461 185 V HA 0.189 4.309 4.120 0.001 0.000 0.267 185 V C 1.741 177.811 176.094 -0.041 0.000 1.186 185 V CA 2.071 64.145 62.300 -0.376 0.000 1.154 185 V CB -0.121 31.514 31.823 -0.313 0.000 0.802 185 V HN 1.058 nan 8.190 nan 0.000 0.474 186 G N -0.699 108.110 108.800 0.015 0.000 3.609 186 G HA2 0.090 4.051 3.960 0.001 0.000 0.280 186 G HA3 0.090 4.051 3.960 0.001 0.000 0.280 186 G C 1.150 176.020 174.900 -0.050 0.000 1.155 186 G CA -0.381 44.749 45.100 0.050 0.000 0.876 186 G HN 0.409 nan 8.290 nan 0.000 0.535 187 R N -0.351 120.012 120.500 -0.228 0.000 2.316 187 R HA 0.041 4.382 4.340 0.001 0.000 0.202 187 R C 2.054 177.953 176.300 -0.670 0.000 1.029 187 R CA 0.053 55.724 56.100 -0.715 0.000 1.018 187 R CB -0.091 29.727 30.300 -0.805 0.000 0.888 187 R HN 0.407 nan 8.270 nan 0.000 0.471 188 I N 1.289 121.644 120.570 -0.359 0.000 2.335 188 I HA -0.263 3.907 4.170 0.001 0.000 0.251 188 I C 1.373 177.423 176.117 -0.112 0.000 1.129 188 I CA 1.711 62.977 61.300 -0.057 0.000 1.402 188 I CB 0.061 38.093 38.000 0.054 0.000 1.069 188 I HN 0.086 nan 8.210 nan 0.000 0.424 189 Q N 0.167 119.829 119.800 -0.229 0.000 2.280 189 Q HA -0.057 4.284 4.340 0.001 0.000 0.202 189 Q C 1.662 177.331 176.000 -0.550 0.000 0.903 189 Q CA 0.261 55.927 55.803 -0.228 0.000 0.948 189 Q CB -0.518 28.250 28.738 0.050 0.000 1.058 189 Q HN 0.815 nan 8.270 nan 0.000 0.493 190 W N 0.133 120.825 121.300 -1.013 0.000 2.321 190 W HA -0.148 4.513 4.660 0.002 0.000 0.306 190 W C 1.251 177.575 176.519 -0.326 0.000 1.217 190 W CA 1.281 57.937 57.345 -1.148 0.000 1.257 190 W CB -1.367 27.513 29.460 -0.966 0.000 1.145 190 W HN 0.118 nan 8.180 nan 0.000 0.509 191 G N 1.977 110.018 108.800 -1.266 0.000 2.471 191 G HA2 -0.296 3.665 3.960 0.001 0.000 0.219 191 G HA3 -0.296 3.665 3.960 0.001 0.000 0.219 191 G C 1.548 176.206 174.900 -0.404 0.000 1.125 191 G CA 1.072 45.521 45.100 -1.086 0.000 0.775 191 G HN 0.537 nan 8.290 nan 0.000 0.548 192 K N -0.092 120.174 120.400 -0.224 0.000 2.446 192 K HA 0.360 4.681 4.320 0.001 0.000 0.203 192 K C 0.482 177.133 176.600 0.086 0.000 1.027 192 K CA -0.721 55.539 56.287 -0.045 0.000 1.166 192 K CB 0.031 32.530 32.500 -0.002 0.000 0.869 192 K HN 0.145 nan 8.250 nan 0.000 0.504 193 L N 2.185 123.504 121.223 0.159 0.000 2.453 193 L HA 0.082 4.423 4.340 0.001 0.000 0.272 193 L C -0.435 176.449 176.870 0.023 0.000 1.182 193 L CA 0.487 55.450 54.840 0.206 0.000 0.858 193 L CB 0.919 43.189 42.059 0.352 0.000 1.120 193 L HN 0.256 nan 8.230 nan 0.000 0.474 194 Q N 3.633 123.387 119.800 -0.077 0.000 2.398 194 Q HA 0.449 4.790 4.340 0.001 0.000 0.251 194 Q C -1.457 174.197 176.000 -0.576 0.000 0.999 194 Q CA -0.329 55.286 55.803 -0.313 0.000 0.874 194 Q CB 1.089 29.629 28.738 -0.330 0.000 1.215 194 Q HN 0.554 nan 8.270 nan 0.000 0.470 195 V N 5.811 125.441 119.914 -0.472 0.000 2.407 195 V HA 0.438 4.559 4.120 0.001 0.000 0.278 195 V C -0.397 175.389 176.094 -0.514 0.000 1.037 195 V CA -0.342 61.710 62.300 -0.413 0.000 0.900 195 V CB 0.546 32.254 31.823 -0.192 0.000 0.983 195 V HN 0.664 nan 8.190 nan 0.000 0.459 196 F N 2.425 122.292 119.950 -0.139 0.000 2.411 196 F HA 0.347 4.875 4.527 0.001 0.000 0.352 196 F C 0.424 176.091 175.800 -0.222 0.000 1.123 196 F CA -0.710 57.194 58.000 -0.160 0.000 1.044 196 F CB 1.416 40.331 39.000 -0.143 0.000 1.135 196 F HN 0.415 nan 8.300 nan 0.000 0.461 197 D N 3.623 124.025 120.400 0.004 0.000 2.374 197 D HA 0.275 4.916 4.640 0.001 0.000 0.240 197 D C 0.140 176.318 176.300 -0.204 0.000 1.229 197 D CA 0.186 54.118 54.000 -0.113 0.000 0.895 197 D CB 1.179 41.949 40.800 -0.050 0.000 1.046 197 D HN 0.610 nan 8.370 nan 0.000 0.498 198 A N 4.542 127.076 122.820 -0.478 0.000 2.630 198 A HA 0.157 4.478 4.320 0.001 0.000 0.290 198 A C 1.590 178.878 177.584 -0.493 0.000 1.267 198 A CA -0.402 51.120 52.037 -0.858 0.000 0.950 198 A CB 0.019 17.912 19.000 -1.844 0.000 1.144 198 A HN 0.519 nan 8.150 nan 0.000 0.527 199 R N 0.600 120.959 120.500 -0.235 0.000 2.328 199 R HA -0.074 4.267 4.340 0.001 0.000 0.207 199 R C 0.534 176.807 176.300 -0.046 0.000 1.056 199 R CA 1.156 57.200 56.100 -0.094 0.000 1.016 199 R CB 0.055 30.354 30.300 -0.001 0.000 0.872 199 R HN 0.657 nan 8.270 nan 0.000 0.471 200 D N -0.743 119.639 120.400 -0.030 0.000 2.340 200 D HA -0.053 4.587 4.640 0.001 0.000 0.217 200 D C 0.069 176.423 176.300 0.090 0.000 1.081 200 D CA -0.371 53.658 54.000 0.050 0.000 0.842 200 D CB -0.568 40.281 40.800 0.081 0.000 0.934 200 D HN -0.032 nan 8.370 nan 0.000 0.511 201 C N 1.766 121.080 119.300 0.025 0.000 2.638 201 C HA 0.157 4.618 4.460 0.001 0.000 0.410 201 C C 1.769 176.863 174.990 0.173 0.000 1.404 201 C CA -0.385 58.690 59.018 0.096 0.000 1.651 201 C CB -0.526 27.183 27.740 -0.051 0.000 2.495 201 C HN 0.273 nan 8.230 nan 0.000 0.606 202 R N 2.880 123.523 120.500 0.239 0.000 2.210 202 R HA 0.112 4.453 4.340 0.001 0.000 0.203 202 R C 0.879 177.361 176.300 0.303 0.000 1.010 202 R CA 0.933 57.187 56.100 0.256 0.000 1.008 202 R CB -0.065 30.336 30.300 0.169 0.000 0.923 202 R HN 0.891 nan 8.270 nan 0.000 0.469 203 S N -2.426 113.471 115.700 0.328 0.000 2.714 203 S HA 0.417 4.888 4.470 0.001 0.000 0.280 203 S C 0.480 175.241 174.600 0.268 0.000 1.200 203 S CA -0.276 58.089 58.200 0.276 0.000 0.900 203 S CB 0.903 64.204 63.200 0.168 0.000 1.235 203 S HN -0.038 nan 8.310 nan 0.000 0.512 204 A N 0.270 123.196 122.820 0.178 0.000 1.969 204 A HA -0.007 4.314 4.320 0.001 0.000 0.218 204 A C 2.131 179.700 177.584 -0.025 0.000 1.169 204 A CA 2.194 54.300 52.037 0.115 0.000 0.635 204 A CB -1.207 17.929 19.000 0.227 0.000 0.810 204 A HN 0.766 nan 8.150 nan 0.000 0.445 205 Q N 0.409 120.284 119.800 0.125 0.000 2.046 205 Q HA -0.159 4.182 4.340 0.001 0.000 0.200 205 Q C 1.811 177.858 176.000 0.079 0.000 0.975 205 Q CA 2.283 58.155 55.803 0.116 0.000 0.836 205 Q CB -0.364 28.495 28.738 0.202 0.000 0.896 205 Q HN 0.749 nan 8.270 nan 0.000 0.428 206 E N -0.272 120.001 120.200 0.122 0.000 2.106 206 E HA -0.180 4.171 4.350 0.001 0.000 0.192 206 E C 1.987 178.728 176.600 0.234 0.000 0.984 206 E CA 1.146 57.634 56.400 0.147 0.000 0.806 206 E CB -0.264 29.555 29.700 0.199 0.000 0.750 206 E HN 0.461 nan 8.360 nan 0.000 0.458 207 M N 0.533 120.253 119.600 0.201 0.000 2.080 207 M HA -0.209 4.272 4.480 0.001 0.000 0.260 207 M C 2.155 178.531 176.300 0.127 0.000 1.068 207 M CA 1.498 56.892 55.300 0.157 0.000 1.109 207 M CB -0.141 32.378 32.600 -0.135 0.000 1.342 207 M HN 0.102 nan 8.290 nan 0.000 0.405 208 F N 0.875 120.664 119.950 -0.268 0.000 2.134 208 F HA -0.178 4.350 4.527 0.001 0.000 0.299 208 F C 2.088 177.812 175.800 -0.127 0.000 1.097 208 F CA 2.133 59.916 58.000 -0.361 0.000 1.264 208 F CB -1.027 37.469 39.000 -0.840 0.000 1.001 208 F HN 0.132 nan 8.300 nan 0.000 0.479 209 T N -0.409 114.034 114.554 -0.185 0.000 2.684 209 T HA -0.251 4.100 4.350 0.001 0.000 0.267 209 T C 1.790 176.362 174.700 -0.213 0.000 1.036 209 T CA 1.976 63.908 62.100 -0.280 0.000 1.148 209 T CB -0.757 67.995 68.868 -0.193 0.000 0.863 209 T HN 0.371 nan 8.240 nan 0.000 0.436 210 Y N 0.853 121.112 120.300 -0.069 0.000 2.181 210 Y HA -0.061 4.489 4.550 0.002 0.000 0.288 210 Y C 2.296 178.185 175.900 -0.019 0.000 1.146 210 Y CA 0.917 58.997 58.100 -0.034 0.000 1.164 210 Y CB -0.284 38.230 38.460 0.090 0.000 0.982 210 Y HN 0.173 nan 8.280 nan 0.000 0.515 211 I N -1.544 119.140 120.570 0.190 0.000 2.286 211 I HA -0.358 3.813 4.170 0.001 0.000 0.248 211 I C 2.257 178.361 176.117 -0.021 0.000 1.115 211 I CA 0.871 62.221 61.300 0.084 0.000 1.392 211 I CB -0.518 37.520 38.000 0.062 0.000 1.065 211 I HN 0.346 nan 8.210 nan 0.000 0.418 212 C N 0.767 119.943 119.300 -0.206 0.000 2.453 212 C HA -0.108 4.352 4.460 0.001 0.000 0.277 212 C C 2.626 177.550 174.990 -0.110 0.000 1.262 212 C CA 0.762 59.638 59.018 -0.236 0.000 1.718 212 C CB -1.337 26.123 27.740 -0.467 0.000 2.031 212 C HN 0.544 nan 8.230 nan 0.000 0.480 213 N N 0.125 118.749 118.700 -0.127 0.000 2.166 213 N HA -0.153 4.588 4.740 0.001 0.000 0.186 213 N C 1.402 176.882 175.510 -0.051 0.000 1.019 213 N CA 1.520 54.494 53.050 -0.127 0.000 0.856 213 N CB -0.812 37.536 38.487 -0.232 0.000 0.993 213 N HN 0.746 nan 8.380 nan 0.000 0.426 214 H N 0.526 119.546 119.070 -0.084 0.000 2.293 214 H HA 0.074 4.631 4.556 0.001 0.000 0.300 214 H C 2.046 177.442 175.328 0.114 0.000 1.082 214 H CA 1.644 57.713 56.048 0.036 0.000 1.308 214 H CB -0.130 29.680 29.762 0.080 0.000 1.375 214 H HN 0.100 nan 8.280 nan 0.000 0.495 215 I N 0.458 121.194 120.570 0.277 0.000 2.264 215 I HA -0.262 3.909 4.170 0.001 0.000 0.248 215 I C 2.366 178.551 176.117 0.114 0.000 1.111 215 I CA 1.390 62.805 61.300 0.193 0.000 1.382 215 I CB -0.246 37.813 38.000 0.099 0.000 1.060 215 I HN 0.310 nan 8.210 nan 0.000 0.418 216 K N -0.041 120.402 120.400 0.072 0.000 2.025 216 K HA -0.216 4.105 4.320 0.001 0.000 0.207 216 K C 2.236 178.875 176.600 0.065 0.000 1.049 216 K CA 1.602 57.917 56.287 0.046 0.000 0.933 216 K CB -0.329 32.178 32.500 0.012 0.000 0.714 216 K HN 0.247 nan 8.250 nan 0.000 0.438 217 Y N 1.214 121.498 120.300 -0.026 0.000 2.200 217 Y HA -0.215 4.336 4.550 0.001 0.000 0.290 217 Y C 2.084 178.005 175.900 0.036 0.000 1.137 217 Y CA 1.417 59.518 58.100 0.002 0.000 1.163 217 Y CB -0.195 38.266 38.460 0.002 0.000 0.988 217 Y HN 0.039 nan 8.280 nan 0.000 0.518 218 A N -0.624 122.254 122.820 0.096 0.000 1.873 218 A HA -0.132 4.189 4.320 0.001 0.000 0.215 218 A C 2.214 179.813 177.584 0.026 0.000 1.186 218 A CA 2.117 54.184 52.037 0.050 0.000 0.616 218 A CB -1.317 17.755 19.000 0.120 0.000 0.823 218 A HN 0.480 nan 8.150 nan 0.000 0.442 219 T N -0.045 114.542 114.554 0.055 0.000 2.708 219 T HA -0.147 4.204 4.350 0.001 0.000 0.266 219 T C 1.060 175.763 174.700 0.004 0.000 1.037 219 T CA 1.423 63.559 62.100 0.060 0.000 1.146 219 T CB -0.504 68.406 68.868 0.070 0.000 0.865 219 T HN 0.687 nan 8.240 nan 0.000 0.435 220 N N 0.896 119.568 118.700 -0.045 0.000 2.686 220 N HA -0.260 4.481 4.740 0.001 0.000 0.261 220 N C 0.092 175.575 175.510 -0.044 0.000 1.001 220 N CA 0.692 53.694 53.050 -0.080 0.000 0.764 220 N CB -1.231 37.163 38.487 -0.156 0.000 0.898 220 N HN 0.482 nan 8.380 nan 0.000 0.544 221 R N -1.939 118.549 120.500 -0.020 0.000 3.989 221 R HA -0.232 4.109 4.340 0.001 0.000 0.335 221 R C 1.337 177.629 176.300 -0.013 0.000 1.223 221 R CA 1.549 57.640 56.100 -0.014 0.000 0.962 221 R CB -1.761 28.526 30.300 -0.022 0.000 1.393 221 R HN 1.044 nan 8.270 nan 0.000 0.554 222 G N -0.708 108.091 108.800 -0.002 0.000 2.284 222 G HA2 -0.270 3.691 3.960 0.001 0.000 0.201 222 G HA3 -0.270 3.691 3.960 0.001 0.000 0.201 222 G C -0.167 174.726 174.900 -0.012 0.000 0.998 222 G CA -0.067 45.037 45.100 0.006 0.000 0.651 222 G HN 0.291 nan 8.290 nan 0.000 0.489 223 N N 2.015 120.691 118.700 -0.040 0.000 3.229 223 N HA 0.385 5.126 4.740 0.001 0.000 0.275 223 N C 0.872 176.339 175.510 -0.073 0.000 1.225 223 N CA -0.466 52.537 53.050 -0.078 0.000 1.119 223 N CB -0.364 38.072 38.487 -0.084 0.000 1.392 223 N HN 0.280 nan 8.380 nan 0.000 0.520 224 L N 1.555 122.763 121.223 -0.026 0.000 2.605 224 L HA -0.050 4.291 4.340 0.001 0.000 0.296 224 L C 0.688 177.633 176.870 0.125 0.000 1.255 224 L CA 1.042 55.932 54.840 0.083 0.000 0.879 224 L CB 0.013 42.215 42.059 0.238 0.000 1.124 224 L HN 0.390 nan 8.230 nan 0.000 0.507 225 R N 1.587 122.178 120.500 0.152 0.000 2.532 225 R HA 0.264 4.605 4.340 0.001 0.000 0.297 225 R C -0.282 176.166 176.300 0.247 0.000 0.984 225 R CA -0.550 55.663 56.100 0.188 0.000 0.884 225 R CB 2.136 32.387 30.300 -0.082 0.000 1.182 225 R HN 0.760 nan 8.270 nan 0.000 0.442 226 S N 1.630 117.504 115.700 0.289 0.000 2.562 226 S HA 0.610 5.081 4.470 0.001 0.000 0.281 226 S C 0.001 174.642 174.600 0.069 0.000 1.333 226 S CA -0.368 57.878 58.200 0.077 0.000 1.052 226 S CB 1.422 64.618 63.200 -0.007 0.000 0.884 226 S HN 0.739 nan 8.310 nan 0.000 0.506 227 A N 2.604 125.418 122.820 -0.009 0.000 2.586 227 A HA 0.780 5.101 4.320 0.001 0.000 0.291 227 A C -1.217 176.414 177.584 0.078 0.000 1.062 227 A CA -0.824 51.179 52.037 -0.058 0.000 0.666 227 A CB 0.997 19.956 19.000 -0.069 0.000 1.281 227 A HN 1.298 nan 8.150 nan 0.000 0.421 228 I N 0.117 120.735 120.570 0.080 0.000 2.827 228 I HA 0.688 4.859 4.170 0.001 0.000 0.298 228 I C -1.293 174.957 176.117 0.221 0.000 1.235 228 I CA -0.241 61.220 61.300 0.267 0.000 1.021 228 I CB 2.488 40.577 38.000 0.147 0.000 1.259 228 I HN 0.615 nan 8.210 nan 0.000 0.427 229 T N 5.956 120.624 114.554 0.190 0.000 2.815 229 T HA 0.407 4.758 4.350 0.001 0.000 0.289 229 T C -0.732 173.756 174.700 -0.352 0.000 1.000 229 T CA -0.343 61.720 62.100 -0.062 0.000 0.958 229 T CB 1.391 70.214 68.868 -0.076 0.000 0.944 229 T HN 0.264 nan 8.240 nan 0.000 0.442 230 V N 5.140 124.805 119.914 -0.415 0.000 2.348 230 V HA 0.427 4.548 4.120 0.001 0.000 0.270 230 V C -0.159 175.636 176.094 -0.498 0.000 1.037 230 V CA -0.689 61.369 62.300 -0.403 0.000 0.872 230 V CB -0.367 31.177 31.823 -0.465 0.000 1.002 230 V HN 0.740 nan 8.190 nan 0.000 0.464 231 F N 5.137 124.995 119.950 -0.153 0.000 2.368 231 F HA 0.436 4.964 4.527 0.001 0.000 0.315 231 F C -1.729 174.019 175.800 -0.086 0.000 1.145 231 F CA -2.402 55.440 58.000 -0.263 0.000 1.095 231 F CB 0.421 39.227 39.000 -0.323 0.000 1.286 231 F HN 0.304 nan 8.300 nan 0.000 0.530 232 P HA -0.066 nan 4.420 nan 0.000 0.261 232 P C -1.066 176.339 177.300 0.173 0.000 1.173 232 P CA 0.127 63.268 63.100 0.068 0.000 0.760 232 P CB 0.168 31.884 31.700 0.027 0.000 0.783 233 Q N 3.321 123.114 119.800 -0.012 0.000 2.492 233 Q HA 0.096 4.437 4.340 0.001 0.000 0.238 233 Q C 0.177 176.061 176.000 -0.193 0.000 1.045 233 Q CA -0.553 54.988 55.803 -0.437 0.000 0.934 233 Q CB 0.673 28.801 28.738 -1.017 0.000 1.276 233 Q HN 0.322 nan 8.270 nan 0.000 0.521 234 R N 0.354 120.712 120.500 -0.237 0.000 2.489 234 R HA 0.229 4.570 4.340 0.001 0.000 0.287 234 R C -1.266 174.960 176.300 -0.123 0.000 1.053 234 R CA -0.104 55.929 56.100 -0.113 0.000 1.036 234 R CB 0.425 30.663 30.300 -0.102 0.000 0.966 234 R HN 0.743 nan 8.270 nan 0.000 0.432 235 C N 6.256 125.520 119.300 -0.061 0.000 2.698 235 C HA 0.605 5.066 4.460 0.001 0.000 0.309 235 C C -2.684 172.289 174.990 -0.028 0.000 1.186 235 C CA -2.127 56.861 59.018 -0.050 0.000 1.474 235 C CB 1.628 29.349 27.740 -0.032 0.000 2.020 235 C HN 0.740 nan 8.230 nan 0.000 0.474 236 P HA 0.414 nan 4.420 nan 0.000 0.271 236 P C 0.567 177.864 177.300 -0.006 0.000 1.226 236 P CA 1.527 64.620 63.100 -0.013 0.000 0.765 236 P CB 0.587 32.282 31.700 -0.008 0.000 0.835 237 G N 2.330 111.126 108.800 -0.006 0.000 2.143 237 G HA2 -0.108 3.853 3.960 0.001 0.000 0.175 237 G HA3 -0.108 3.853 3.960 0.001 0.000 0.175 237 G C -0.078 174.819 174.900 -0.004 0.000 1.004 237 G CA -0.105 44.994 45.100 -0.002 0.000 0.671 237 G HN 0.848 nan 8.290 nan 0.000 0.512 238 R N -1.804 118.690 120.500 -0.010 0.000 3.012 238 R HA 0.566 4.907 4.340 0.001 0.000 0.287 238 R C 0.340 176.624 176.300 -0.026 0.000 0.990 238 R CA -0.408 55.681 56.100 -0.018 0.000 0.839 238 R CB -0.173 30.118 30.300 -0.015 0.000 1.317 238 R HN 1.117 nan 8.270 nan 0.000 0.518 239 G N 0.040 108.814 108.800 -0.043 0.000 2.621 239 G HA2 0.410 4.371 3.960 0.001 0.000 0.271 239 G HA3 0.410 4.371 3.960 0.001 0.000 0.271 239 G C -0.961 173.901 174.900 -0.064 0.000 1.236 239 G CA -0.459 44.611 45.100 -0.049 0.000 0.958 239 G HN 0.609 nan 8.290 nan 0.000 0.512 240 D N -1.011 119.362 120.400 -0.044 0.000 2.340 240 D HA 0.364 5.004 4.640 0.001 0.000 0.243 240 D C -0.662 175.620 176.300 -0.031 0.000 0.988 240 D CA -0.296 53.707 54.000 0.004 0.000 0.959 240 D CB 1.497 42.325 40.800 0.046 0.000 1.226 240 D HN 0.123 nan 8.370 nan 0.000 0.509 241 F N 0.863 120.829 119.950 0.027 0.000 2.443 241 F HA 0.273 4.800 4.527 0.001 0.000 0.353 241 F C 1.075 176.884 175.800 0.014 0.000 1.101 241 F CA 0.187 58.185 58.000 -0.002 0.000 1.226 241 F CB 0.603 39.580 39.000 -0.039 0.000 1.140 241 F HN -0.199 nan 8.300 nan 0.000 0.557 242 R N 4.028 124.635 120.500 0.179 0.000 2.584 242 R HA 0.433 4.774 4.340 0.001 0.000 0.276 242 R C -1.288 175.153 176.300 0.234 0.000 1.046 242 R CA -0.704 55.508 56.100 0.187 0.000 0.906 242 R CB 1.995 32.407 30.300 0.186 0.000 1.215 242 R HN 0.630 nan 8.270 nan 0.000 0.449 243 I N 2.871 123.549 120.570 0.180 0.000 2.307 243 I HA 0.120 4.291 4.170 0.001 0.000 0.287 243 I C 0.617 176.916 176.117 0.302 0.000 1.054 243 I CA -0.460 60.947 61.300 0.179 0.000 1.218 243 I CB 0.782 38.822 38.000 0.066 0.000 1.398 243 I HN 0.533 nan 8.210 nan 0.000 0.475 244 W N 3.598 124.940 121.300 0.070 0.000 2.331 244 W HA -0.178 4.483 4.660 0.002 0.000 0.291 244 W C 1.044 177.687 176.519 0.206 0.000 1.214 244 W CA 0.373 57.840 57.345 0.205 0.000 1.228 244 W CB -1.012 28.562 29.460 0.190 0.000 1.135 244 W HN 0.418 nan 8.180 nan 0.000 0.537 245 N N -0.024 118.847 118.700 0.284 0.000 2.479 245 N HA 0.008 4.749 4.740 0.001 0.000 0.257 245 N C 1.310 176.886 175.510 0.111 0.000 1.232 245 N CA 0.882 54.020 53.050 0.146 0.000 0.920 245 N CB 0.726 39.234 38.487 0.036 0.000 1.105 245 N HN -0.081 nan 8.380 nan 0.000 0.444 246 S N 0.615 116.373 115.700 0.098 0.000 2.461 246 S HA 0.004 4.475 4.470 0.001 0.000 0.228 246 S C 0.256 174.862 174.600 0.010 0.000 1.005 246 S CA 0.572 58.819 58.200 0.078 0.000 0.942 246 S CB 0.081 63.352 63.200 0.119 0.000 0.776 246 S HN 0.659 nan 8.310 nan 0.000 0.514 247 Q N -0.830 118.955 119.800 -0.025 0.000 2.391 247 Q HA 0.453 4.794 4.340 0.001 0.000 0.279 247 Q C 0.024 175.946 176.000 -0.129 0.000 1.028 247 Q CA -0.515 55.234 55.803 -0.089 0.000 0.836 247 Q CB 1.805 30.513 28.738 -0.050 0.000 1.414 247 Q HN 0.079 nan 8.270 nan 0.000 0.397 248 L N 0.191 121.322 121.223 -0.153 0.000 2.127 248 L HA -0.048 4.293 4.340 0.001 0.000 0.211 248 L C 0.423 177.169 176.870 -0.207 0.000 1.089 248 L CA 1.041 55.795 54.840 -0.143 0.000 0.757 248 L CB -0.017 41.969 42.059 -0.122 0.000 0.899 248 L HN 0.279 nan 8.230 nan 0.000 0.434 249 V N 0.756 120.458 119.914 -0.354 0.000 2.443 249 V HA 0.495 4.615 4.120 0.001 0.000 0.293 249 V C -0.452 175.120 176.094 -0.869 0.000 1.021 249 V CA -0.717 61.212 62.300 -0.618 0.000 0.848 249 V CB 1.659 32.984 31.823 -0.830 0.000 0.998 249 V HN 0.138 nan 8.190 nan 0.000 0.424 250 R N 2.848 122.970 120.500 -0.630 0.000 2.668 250 R HA 0.486 4.827 4.340 0.001 0.000 0.272 250 R C -1.447 174.641 176.300 -0.354 0.000 1.019 250 R CA -0.769 55.049 56.100 -0.470 0.000 0.894 250 R CB 1.952 32.147 30.300 -0.177 0.000 1.228 250 R HN 0.645 nan 8.270 nan 0.000 0.460 251 Y N 0.453 120.717 120.300 -0.059 0.000 2.299 251 Y HA 0.461 5.011 4.550 0.001 0.000 0.326 251 Y C 1.234 177.107 175.900 -0.045 0.000 1.164 251 Y CA -0.706 57.394 58.100 -0.000 0.000 1.234 251 Y CB 1.320 39.846 38.460 0.109 0.000 1.219 251 Y HN 0.644 nan 8.280 nan 0.000 0.497 252 A N 1.983 124.855 122.820 0.086 0.000 2.386 252 A HA 0.555 4.876 4.320 0.001 0.000 0.246 252 A C 0.478 177.851 177.584 -0.353 0.000 1.089 252 A CA 0.269 52.198 52.037 -0.179 0.000 0.790 252 A CB -0.164 18.697 19.000 -0.233 0.000 1.042 252 A HN 0.915 nan 8.150 nan 0.000 0.497 253 G N 0.085 108.591 108.800 -0.491 0.000 2.760 253 G HA2 0.540 4.501 3.960 0.001 0.000 0.285 253 G HA3 0.540 4.501 3.960 0.001 0.000 0.285 253 G C -1.269 173.398 174.900 -0.389 0.000 1.496 253 G CA -0.283 44.586 45.100 -0.384 0.000 1.026 253 G HN 0.494 nan 8.290 nan 0.000 0.536 254 Y N 1.867 122.180 120.300 0.022 0.000 2.335 254 Y HA 0.439 4.990 4.550 0.001 0.000 0.339 254 Y C 0.988 176.891 175.900 0.004 0.000 0.987 254 Y CA -1.263 56.851 58.100 0.023 0.000 1.140 254 Y CB 1.186 39.659 38.460 0.021 0.000 1.173 254 Y HN 0.212 nan 8.280 nan 0.000 0.486 255 R N 3.677 124.260 120.500 0.138 0.000 2.498 255 R HA 0.032 4.372 4.340 0.001 0.000 0.334 255 R C -0.249 176.097 176.300 0.077 0.000 1.106 255 R CA -0.075 56.072 56.100 0.079 0.000 0.995 255 R CB -0.072 30.264 30.300 0.059 0.000 0.989 255 R HN 0.676 nan 8.270 nan 0.000 0.455 256 Q N 1.590 121.429 119.800 0.065 0.000 2.364 256 Q HA -0.024 4.317 4.340 0.001 0.000 0.267 256 Q C 0.189 176.207 176.000 0.029 0.000 0.999 256 Q CA -0.077 55.753 55.803 0.045 0.000 0.886 256 Q CB 0.599 29.359 28.738 0.038 0.000 1.243 256 Q HN 0.196 nan 8.270 nan 0.000 0.415 257 Q N 2.417 122.228 119.800 0.019 0.000 2.431 257 Q HA 0.094 4.435 4.340 0.001 0.000 0.234 257 Q C -0.941 175.065 176.000 0.010 0.000 1.203 257 Q CA 0.579 56.389 55.803 0.013 0.000 0.902 257 Q CB -0.507 28.234 28.738 0.006 0.000 1.455 257 Q HN 0.717 nan 8.270 nan 0.000 0.515 258 D N 0.808 121.216 120.400 0.013 0.000 4.276 258 D HA 0.050 4.691 4.640 0.001 0.000 0.222 258 D C 0.775 177.083 176.300 0.014 0.000 0.458 258 D CA 0.486 54.493 54.000 0.011 0.000 0.660 258 D CB -0.885 39.921 40.800 0.010 0.000 1.643 258 D HN 0.567 nan 8.370 nan 0.000 0.106 259 G N 0.320 109.130 108.800 0.017 0.000 2.349 259 G HA2 -0.213 3.748 3.960 0.001 0.000 0.213 259 G HA3 -0.213 3.748 3.960 0.001 0.000 0.213 259 G C 0.656 175.568 174.900 0.020 0.000 1.044 259 G CA 0.450 45.561 45.100 0.018 0.000 0.633 259 G HN 1.261 nan 8.290 nan 0.000 0.506 260 S N -0.436 115.275 115.700 0.019 0.000 2.617 260 S HA 0.628 5.098 4.470 0.001 0.000 0.255 260 S C 0.035 174.647 174.600 0.019 0.000 1.318 260 S CA 0.402 58.613 58.200 0.018 0.000 0.978 260 S CB 1.883 65.093 63.200 0.017 0.000 0.961 260 S HN 1.313 nan 8.310 nan 0.000 0.582 261 V N 0.941 120.860 119.914 0.008 0.000 2.668 261 V HA 0.489 4.610 4.120 0.001 0.000 0.304 261 V C -0.144 175.942 176.094 -0.014 0.000 1.071 261 V CA -0.776 61.525 62.300 0.002 0.000 0.894 261 V CB 1.691 33.497 31.823 -0.028 0.000 1.008 261 V HN 0.960 nan 8.190 nan 0.000 0.425 262 R N 3.059 123.583 120.500 0.039 0.000 2.297 262 R HA 0.692 5.033 4.340 0.001 0.000 0.308 262 R C 0.668 176.961 176.300 -0.011 0.000 1.029 262 R CA 0.996 57.124 56.100 0.048 0.000 0.929 262 R CB 1.110 31.494 30.300 0.141 0.000 1.046 262 R HN 1.276 nan 8.270 nan 0.000 0.461 263 G N 2.979 111.698 108.800 -0.135 0.000 2.475 263 G HA2 -0.251 3.710 3.960 0.001 0.000 0.223 263 G HA3 -0.251 3.710 3.960 0.001 0.000 0.223 263 G C -1.234 173.321 174.900 -0.575 0.000 1.201 263 G CA -0.028 44.923 45.100 -0.248 0.000 0.962 263 G HN 0.655 nan 8.290 nan 0.000 0.586 264 D N 1.710 121.892 120.400 -0.362 0.000 2.359 264 D HA 0.561 5.202 4.640 0.001 0.000 0.230 264 D C -1.170 175.015 176.300 -0.191 0.000 1.118 264 D CA -1.884 51.906 54.000 -0.349 0.000 0.844 264 D CB 1.550 42.399 40.800 0.082 0.000 1.059 264 D HN -0.019 nan 8.370 nan 0.000 0.493 265 P HA -0.052 nan 4.420 nan 0.000 0.222 265 P C 0.762 178.056 177.300 -0.009 0.000 1.147 265 P CA 0.701 63.751 63.100 -0.082 0.000 0.790 265 P CB 0.355 32.017 31.700 -0.064 0.000 0.780 266 A N -0.592 122.239 122.820 0.018 0.000 2.119 266 A HA -0.062 4.258 4.320 0.001 0.000 0.216 266 A C 1.649 179.278 177.584 0.074 0.000 1.152 266 A CA 1.094 53.177 52.037 0.078 0.000 0.708 266 A CB -0.764 18.305 19.000 0.116 0.000 0.805 266 A HN 0.118 nan 8.150 nan 0.000 0.460 267 N N -0.174 118.549 118.700 0.038 0.000 2.235 267 N HA 0.111 4.851 4.740 0.001 0.000 0.209 267 N C 1.180 176.672 175.510 -0.030 0.000 1.122 267 N CA 0.228 53.287 53.050 0.015 0.000 0.845 267 N CB 0.525 39.016 38.487 0.008 0.000 1.004 267 N HN 0.206 nan 8.380 nan 0.000 0.499 268 V N 1.024 120.925 119.914 -0.022 0.000 2.287 268 V HA -0.250 3.871 4.120 0.001 0.000 0.248 268 V C 2.436 178.515 176.094 -0.025 0.000 1.053 268 V CA 1.846 64.128 62.300 -0.030 0.000 1.027 268 V CB -0.322 31.498 31.823 -0.006 0.000 0.646 268 V HN 0.392 nan 8.190 nan 0.000 0.447 269 E N -0.106 120.088 120.200 -0.012 0.000 2.051 269 E HA -0.265 4.086 4.350 0.001 0.000 0.192 269 E C 2.145 178.650 176.600 -0.158 0.000 0.991 269 E CA 1.819 58.188 56.400 -0.053 0.000 0.799 269 E CB -0.209 29.504 29.700 0.021 0.000 0.748 269 E HN 0.505 nan 8.360 nan 0.000 0.449 270 I N 0.744 121.238 120.570 -0.127 0.000 2.394 270 I HA -0.192 3.979 4.170 0.001 0.000 0.251 270 I C 2.007 178.045 176.117 -0.132 0.000 1.136 270 I CA 1.471 62.666 61.300 -0.175 0.000 1.425 270 I CB -0.231 37.732 38.000 -0.062 0.000 1.079 270 I HN 0.105 nan 8.210 nan 0.000 0.425 271 T N 0.253 114.756 114.554 -0.085 0.000 2.737 271 T HA -0.150 4.201 4.350 0.001 0.000 0.265 271 T C 1.732 176.471 174.700 0.064 0.000 1.038 271 T CA 1.686 63.768 62.100 -0.030 0.000 1.144 271 T CB -0.275 68.552 68.868 -0.067 0.000 0.866 271 T HN 0.455 nan 8.240 nan 0.000 0.434 272 E N 0.670 120.886 120.200 0.026 0.000 2.204 272 E HA -0.026 4.325 4.350 0.001 0.000 0.195 272 E C 2.137 178.762 176.600 0.041 0.000 0.990 272 E CA 0.640 57.072 56.400 0.053 0.000 0.821 272 E CB -0.224 29.487 29.700 0.019 0.000 0.750 272 E HN 0.430 nan 8.360 nan 0.000 0.477 273 L N 0.037 121.238 121.223 -0.036 0.000 2.072 273 L HA -0.168 4.173 4.340 0.001 0.000 0.205 273 L C 2.546 179.455 176.870 0.065 0.000 1.079 273 L CA 0.582 55.411 54.840 -0.018 0.000 0.752 273 L CB -0.283 41.661 42.059 -0.192 0.000 0.906 273 L HN 0.280 nan 8.230 nan 0.000 0.436 274 C N 0.049 119.352 119.300 0.005 0.000 2.413 274 C HA -0.163 4.298 4.460 0.001 0.000 0.277 274 C C 2.723 177.871 174.990 0.262 0.000 1.265 274 C CA 0.620 59.648 59.018 0.017 0.000 1.752 274 C CB -0.653 26.975 27.740 -0.186 0.000 1.998 274 C HN 0.418 nan 8.230 nan 0.000 0.489 275 I N 0.134 120.895 120.570 0.318 0.000 2.252 275 I HA -0.234 3.937 4.170 0.001 0.000 0.245 275 I C 2.636 178.849 176.117 0.161 0.000 1.102 275 I CA 1.436 62.907 61.300 0.285 0.000 1.385 275 I CB -0.677 37.456 38.000 0.220 0.000 1.064 275 I HN 0.440 nan 8.210 nan 0.000 0.414 276 Q N -0.063 119.819 119.800 0.137 0.000 2.234 276 Q HA -0.212 4.129 4.340 0.001 0.000 0.206 276 Q C 0.847 176.834 176.000 -0.021 0.000 0.980 276 Q CA 1.216 57.055 55.803 0.059 0.000 0.869 276 Q CB -0.135 28.644 28.738 0.069 0.000 0.912 276 Q HN 0.608 nan 8.270 nan 0.000 0.436 277 H N -1.148 117.913 119.070 -0.014 0.000 2.605 277 H HA 0.243 4.800 4.556 0.001 0.000 0.308 277 H C 0.548 175.860 175.328 -0.026 0.000 1.080 277 H CA 0.479 56.493 56.048 -0.056 0.000 1.119 277 H CB 0.274 29.953 29.762 -0.137 0.000 1.479 277 H HN 0.364 nan 8.280 nan 0.000 0.537 278 G N 0.071 108.914 108.800 0.071 0.000 2.160 278 G HA2 -0.272 3.689 3.960 0.001 0.000 0.244 278 G HA3 -0.272 3.689 3.960 0.001 0.000 0.244 278 G C -0.273 174.704 174.900 0.128 0.000 1.022 278 G CA 0.039 45.172 45.100 0.054 0.000 0.741 278 G HN 0.452 nan 8.290 nan 0.000 0.508 279 W N 1.498 122.785 121.300 -0.023 0.000 2.433 279 W HA 0.677 5.338 4.660 0.001 0.000 0.315 279 W C 0.280 176.798 176.519 -0.002 0.000 1.087 279 W CA -0.629 56.705 57.345 -0.019 0.000 1.205 279 W CB 1.176 30.630 29.460 -0.010 0.000 1.288 279 W HN 0.080 nan 8.180 nan 0.000 0.504 280 T N 9.517 123.687 114.554 -0.641 0.000 2.738 280 T HA 0.159 4.509 4.350 0.001 0.000 0.294 280 T C -1.963 171.911 174.700 -1.376 0.000 0.914 280 T CA -0.742 60.941 62.100 -0.696 0.000 1.052 280 T CB 0.186 68.812 68.868 -0.403 0.000 0.897 280 T HN 0.238 nan 8.240 nan 0.000 0.522 281 P HA 0.297 nan 4.420 nan 0.000 0.273 281 P C 0.423 177.338 177.300 -0.642 0.000 1.250 281 P CA -0.283 62.123 63.100 -1.156 0.000 0.793 281 P CB 0.850 32.317 31.700 -0.387 0.000 1.011 282 G N -1.391 107.211 108.800 -0.330 0.000 2.857 282 G HA2 0.509 4.470 3.960 0.001 0.000 0.217 282 G HA3 0.509 4.470 3.960 0.001 0.000 0.217 282 G C 0.417 175.002 174.900 -0.525 0.000 1.357 282 G CA 0.036 45.011 45.100 -0.209 0.000 1.033 282 G HN 0.671 nan 8.290 nan 0.000 0.571 283 N N -1.306 117.226 118.700 -0.280 0.000 2.110 283 N HA 0.473 5.214 4.740 0.001 0.000 0.230 283 N C 0.608 176.103 175.510 -0.025 0.000 1.353 283 N CA 0.420 53.288 53.050 -0.304 0.000 0.807 283 N CB 0.747 39.107 38.487 -0.210 0.000 1.244 283 N HN 0.903 nan 8.380 nan 0.000 0.504 284 G N -0.692 108.187 108.800 0.131 0.000 2.511 284 G HA2 0.485 4.446 3.960 0.001 0.000 0.316 284 G HA3 0.485 4.446 3.960 0.001 0.000 0.316 284 G C 0.574 175.591 174.900 0.195 0.000 1.210 284 G CA -0.283 44.917 45.100 0.167 0.000 0.969 284 G HN 0.375 nan 8.290 nan 0.000 0.492 285 R N -1.094 119.444 120.500 0.065 0.000 2.173 285 R HA 0.120 4.461 4.340 0.001 0.000 0.208 285 R C -0.036 175.967 176.300 -0.495 0.000 1.035 285 R CA 0.723 56.706 56.100 -0.196 0.000 1.004 285 R CB 0.140 30.233 30.300 -0.344 0.000 0.917 285 R HN 0.400 nan 8.270 nan 0.000 0.462 286 F N 1.163 121.082 119.950 -0.053 0.000 2.627 286 F HA 0.269 4.797 4.527 0.002 0.000 0.329 286 F C -0.627 175.115 175.800 -0.098 0.000 1.378 286 F CA -1.061 56.658 58.000 -0.468 0.000 1.134 286 F CB 0.564 39.085 39.000 -0.800 0.000 1.229 286 F HN -0.273 nan 8.300 nan 0.000 0.537 287 D N 1.560 122.130 120.400 0.282 0.000 2.316 287 D HA 0.175 4.816 4.640 0.001 0.000 0.245 287 D C 0.117 176.670 176.300 0.421 0.000 1.171 287 D CA 0.042 54.267 54.000 0.375 0.000 0.856 287 D CB 2.426 43.495 40.800 0.448 0.000 1.090 287 D HN -0.041 nan 8.370 nan 0.000 0.476 288 V N 4.242 124.375 119.914 0.365 0.000 2.450 288 V HA -0.015 4.106 4.120 0.001 0.000 0.281 288 V C 1.014 177.130 176.094 0.036 0.000 1.019 288 V CA -0.175 62.230 62.300 0.175 0.000 1.062 288 V CB 0.080 31.970 31.823 0.111 0.000 0.979 288 V HN 0.349 nan 8.190 nan 0.000 0.477 289 L N 8.791 129.947 121.223 -0.111 0.000 2.439 289 L HA 0.304 4.645 4.340 0.001 0.000 0.269 289 L C -1.499 175.152 176.870 -0.365 0.000 1.179 289 L CA -1.309 53.327 54.840 -0.340 0.000 0.828 289 L CB 1.112 42.981 42.059 -0.317 0.000 1.106 289 L HN 0.475 nan 8.230 nan 0.000 0.467 290 P HA 0.175 nan 4.420 nan 0.000 0.274 290 P C -1.076 176.059 177.300 -0.275 0.000 1.256 290 P CA -0.461 62.396 63.100 -0.405 0.000 0.795 290 P CB 0.889 32.217 31.700 -0.620 0.000 1.038 291 L N 0.767 121.907 121.223 -0.138 0.000 2.307 291 L HA 0.307 4.648 4.340 0.001 0.000 0.282 291 L C 0.338 177.163 176.870 -0.076 0.000 1.051 291 L CA -0.918 53.884 54.840 -0.064 0.000 0.804 291 L CB 0.735 42.819 42.059 0.042 0.000 1.197 291 L HN 0.197 nan 8.230 nan 0.000 0.431 292 L N 5.116 126.280 121.223 -0.099 0.000 2.360 292 L HA 0.392 4.733 4.340 0.001 0.000 0.265 292 L C -0.337 176.418 176.870 -0.191 0.000 1.066 292 L CA 0.102 54.798 54.840 -0.240 0.000 0.929 292 L CB 0.494 42.341 42.059 -0.352 0.000 1.306 292 L HN 0.404 nan 8.230 nan 0.000 0.434 293 L N 3.135 124.319 121.223 -0.066 0.000 2.265 293 L HA 0.426 4.767 4.340 0.001 0.000 0.288 293 L C 0.256 177.087 176.870 -0.065 0.000 1.058 293 L CA -0.199 54.626 54.840 -0.024 0.000 0.809 293 L CB 1.068 43.117 42.059 -0.016 0.000 1.179 293 L HN 0.527 nan 8.230 nan 0.000 0.429 294 Q N 3.090 122.874 119.800 -0.027 0.000 2.293 294 Q HA 0.682 5.023 4.340 0.001 0.000 0.261 294 Q C -1.064 174.901 176.000 -0.058 0.000 0.960 294 Q CA -0.635 55.157 55.803 -0.018 0.000 0.882 294 Q CB 2.081 30.931 28.738 0.187 0.000 1.275 294 Q HN 0.763 nan 8.270 nan 0.000 0.445 295 A N 4.893 127.629 122.820 -0.140 0.000 2.294 295 A HA 0.665 4.985 4.320 0.001 0.000 0.330 295 A C -2.478 174.872 177.584 -0.391 0.000 1.133 295 A CA -1.906 49.901 52.037 -0.384 0.000 0.836 295 A CB 0.542 19.416 19.000 -0.210 0.000 1.190 295 A HN 0.657 nan 8.150 nan 0.000 0.492 296 P HA 0.050 nan 4.420 nan 0.000 0.260 296 P C -0.756 176.442 177.300 -0.169 0.000 1.185 296 P CA 0.840 63.734 63.100 -0.343 0.000 0.763 296 P CB 0.077 31.559 31.700 -0.364 0.000 0.776 297 D N 0.351 120.695 120.400 -0.093 0.000 2.837 297 D HA -0.177 4.464 4.640 0.001 0.000 0.230 297 D C -0.077 176.202 176.300 -0.034 0.000 1.152 297 D CA 1.192 55.166 54.000 -0.044 0.000 0.736 297 D CB -0.584 40.194 40.800 -0.038 0.000 1.084 297 D HN 0.463 nan 8.370 nan 0.000 0.429 298 E N 0.049 120.226 120.200 -0.038 0.000 2.331 298 E HA 0.326 4.677 4.350 0.001 0.000 0.275 298 E C -2.302 174.294 176.600 -0.006 0.000 0.895 298 E CA -1.514 54.870 56.400 -0.026 0.000 0.753 298 E CB 2.585 32.257 29.700 -0.046 0.000 1.216 298 E HN -0.077 nan 8.360 nan 0.000 0.434 299 P HA 0.143 nan 4.420 nan 0.000 0.269 299 P C -2.452 174.797 177.300 -0.084 0.000 1.215 299 P CA -1.088 62.014 63.100 0.005 0.000 0.780 299 P CB -0.356 31.352 31.700 0.014 0.000 0.898 300 P HA 0.110 nan 4.420 nan 0.000 0.267 300 P C -0.214 176.888 177.300 -0.330 0.000 1.205 300 P CA 0.524 63.325 63.100 -0.499 0.000 0.765 300 P CB 0.805 31.695 31.700 -1.350 0.000 0.828 301 E N 1.486 121.553 120.200 -0.221 0.000 2.248 301 E HA 0.382 4.733 4.350 0.001 0.000 0.272 301 E C -0.586 175.820 176.600 -0.322 0.000 1.008 301 E CA -1.060 55.201 56.400 -0.232 0.000 0.856 301 E CB 1.294 30.913 29.700 -0.136 0.000 1.120 301 E HN 0.305 nan 8.360 nan 0.000 0.397 302 L N 2.902 123.825 121.223 -0.499 0.000 2.289 302 L HA 0.444 4.785 4.340 0.001 0.000 0.285 302 L C -1.585 174.825 176.870 -0.767 0.000 1.049 302 L CA 0.031 54.604 54.840 -0.446 0.000 0.804 302 L CB 0.260 42.154 42.059 -0.276 0.000 1.195 302 L HN 0.382 nan 8.230 nan 0.000 0.428 303 F N 5.067 124.794 119.950 -0.372 0.000 2.561 303 F HA 0.486 5.014 4.527 0.001 0.000 0.313 303 F C -0.606 174.947 175.800 -0.413 0.000 1.126 303 F CA -0.650 56.997 58.000 -0.589 0.000 0.918 303 F CB 1.601 39.922 39.000 -1.131 0.000 1.199 303 F HN 0.170 nan 8.300 nan 0.000 0.444 304 L N 4.360 125.509 121.223 -0.124 0.000 2.292 304 L HA 0.440 4.781 4.340 0.001 0.000 0.284 304 L C -0.446 176.538 176.870 0.190 0.000 1.065 304 L CA -0.773 54.080 54.840 0.022 0.000 0.806 304 L CB 1.265 43.367 42.059 0.072 0.000 1.175 304 L HN 0.517 nan 8.230 nan 0.000 0.431 305 L N 5.102 126.439 121.223 0.189 0.000 2.313 305 L HA 0.257 4.598 4.340 0.001 0.000 0.282 305 L C -1.919 175.053 176.870 0.170 0.000 1.092 305 L CA -1.680 53.302 54.840 0.236 0.000 0.831 305 L CB 0.573 42.708 42.059 0.127 0.000 1.159 305 L HN 0.323 nan 8.230 nan 0.000 0.442 306 P HA 0.022 nan 4.420 nan 0.000 0.260 306 P C -2.003 175.349 177.300 0.087 0.000 1.185 306 P CA -0.807 62.364 63.100 0.119 0.000 0.763 306 P CB 0.316 32.072 31.700 0.093 0.000 0.776 307 P HA -0.250 nan 4.420 nan 0.000 0.216 307 P C 1.376 178.712 177.300 0.060 0.000 1.154 307 P CA 1.430 64.576 63.100 0.077 0.000 0.865 307 P CB -0.166 31.580 31.700 0.078 0.000 0.789 308 E N -0.162 120.068 120.200 0.051 0.000 2.409 308 E HA -0.132 4.219 4.350 0.001 0.000 0.198 308 E C 1.614 178.234 176.600 0.034 0.000 1.024 308 E CA 1.021 57.444 56.400 0.038 0.000 0.861 308 E CB -0.984 28.735 29.700 0.031 0.000 0.788 308 E HN 0.335 nan 8.360 nan 0.000 0.521 309 L N 0.584 121.829 121.223 0.037 0.000 2.463 309 L HA 0.144 4.485 4.340 0.001 0.000 0.219 309 L C 0.711 177.606 176.870 0.040 0.000 1.088 309 L CA -0.023 54.835 54.840 0.031 0.000 0.849 309 L CB 0.641 42.710 42.059 0.017 0.000 1.012 309 L HN -0.122 nan 8.230 nan 0.000 0.468 310 V N 2.608 122.550 119.914 0.046 0.000 2.299 310 V HA 0.101 4.222 4.120 0.001 0.000 0.255 310 V C 0.188 176.324 176.094 0.069 0.000 1.100 310 V CA -0.441 61.888 62.300 0.048 0.000 0.938 310 V CB 0.741 32.583 31.823 0.032 0.000 1.139 310 V HN 0.075 nan 8.190 nan 0.000 0.490 311 L N 5.381 126.652 121.223 0.080 0.000 2.453 311 L HA 0.332 4.673 4.340 0.001 0.000 0.272 311 L C 0.273 177.204 176.870 0.102 0.000 1.182 311 L CA 0.909 55.794 54.840 0.075 0.000 0.858 311 L CB 0.279 42.380 42.059 0.069 0.000 1.120 311 L HN 0.642 nan 8.230 nan 0.000 0.474 312 E N 3.157 123.392 120.200 0.058 0.000 2.369 312 E HA 0.607 4.958 4.350 0.001 0.000 0.270 312 E C -1.535 175.025 176.600 -0.066 0.000 0.909 312 E CA -1.011 55.419 56.400 0.051 0.000 0.775 312 E CB 2.443 32.197 29.700 0.090 0.000 1.270 312 E HN 0.343 nan 8.360 nan 0.000 0.445 313 V N 2.879 122.711 119.914 -0.136 0.000 2.443 313 V HA 0.326 4.447 4.120 0.001 0.000 0.293 313 V C -2.330 173.660 176.094 -0.175 0.000 1.021 313 V CA -1.826 60.311 62.300 -0.271 0.000 0.848 313 V CB 1.589 32.974 31.823 -0.730 0.000 0.998 313 V HN 0.547 nan 8.190 nan 0.000 0.424 314 P HA 0.256 nan 4.420 nan 0.000 0.276 314 P C -0.708 176.561 177.300 -0.051 0.000 1.235 314 P CA -0.123 62.921 63.100 -0.094 0.000 0.772 314 P CB 1.057 32.717 31.700 -0.067 0.000 0.871 315 L N 3.980 125.205 121.223 0.003 0.000 2.305 315 L HA 0.362 4.703 4.340 0.001 0.000 0.281 315 L C 1.148 178.126 176.870 0.180 0.000 1.085 315 L CA 0.041 54.941 54.840 0.100 0.000 0.813 315 L CB 0.306 42.492 42.059 0.210 0.000 1.157 315 L HN 0.530 nan 8.230 nan 0.000 0.436 316 E N 2.010 122.264 120.200 0.091 0.000 2.413 316 E HA 0.373 4.724 4.350 0.001 0.000 0.277 316 E C -1.416 175.100 176.600 -0.140 0.000 0.958 316 E CA -0.960 55.490 56.400 0.085 0.000 0.779 316 E CB 2.063 31.820 29.700 0.096 0.000 1.278 316 E HN 0.451 nan 8.360 nan 0.000 0.456 317 H N 2.057 120.909 119.070 -0.364 0.000 2.463 317 H HA 0.274 4.831 4.556 0.001 0.000 0.332 317 H C -1.763 173.263 175.328 -0.503 0.000 1.127 317 H CA -2.303 53.414 56.048 -0.553 0.000 1.238 317 H CB 1.987 31.337 29.762 -0.687 0.000 1.478 317 H HN 0.447 nan 8.280 nan 0.000 0.499 318 P HA -0.103 nan 4.420 nan 0.000 0.220 318 P C 0.845 178.058 177.300 -0.145 0.000 1.148 318 P CA 1.569 64.260 63.100 -0.682 0.000 0.803 318 P CB 0.450 31.636 31.700 -0.856 0.000 0.782 319 T N -4.764 109.885 114.554 0.158 0.000 2.969 319 T HA 0.227 4.578 4.350 0.001 0.000 0.258 319 T C 0.798 175.405 174.700 -0.155 0.000 0.962 319 T CA -0.212 61.886 62.100 -0.002 0.000 0.903 319 T CB -0.489 68.382 68.868 0.004 0.000 1.177 319 T HN -0.053 nan 8.240 nan 0.000 0.511 320 L N 2.530 123.515 121.223 -0.396 0.000 2.358 320 L HA 0.548 4.889 4.340 0.001 0.000 0.274 320 L C 2.019 178.549 176.870 -0.566 0.000 1.136 320 L CA -0.206 54.219 54.840 -0.693 0.000 0.970 320 L CB 0.150 41.468 42.059 -1.234 0.000 1.314 320 L HN 0.413 nan 8.230 nan 0.000 0.427 321 E N 3.791 123.832 120.200 -0.265 0.000 2.171 321 E HA -0.227 4.124 4.350 0.001 0.000 0.197 321 E C 1.603 178.181 176.600 -0.036 0.000 0.997 321 E CA 2.041 58.387 56.400 -0.091 0.000 0.810 321 E CB -0.631 29.081 29.700 0.021 0.000 0.738 321 E HN 0.872 nan 8.360 nan 0.000 0.467 322 W N -1.245 120.099 121.300 0.074 0.000 2.465 322 W HA 0.056 4.717 4.660 0.001 0.000 0.268 322 W C 1.953 178.523 176.519 0.085 0.000 1.242 322 W CA 0.447 57.827 57.345 0.059 0.000 1.248 322 W CB -1.018 28.454 29.460 0.021 0.000 1.118 322 W HN 0.245 nan 8.180 nan 0.000 0.587 323 F N 2.851 122.498 119.950 -0.505 0.000 2.065 323 F HA -0.230 4.298 4.527 0.001 0.000 0.298 323 F C 2.849 178.626 175.800 -0.039 0.000 1.112 323 F CA 3.382 61.175 58.000 -0.345 0.000 1.212 323 F CB -0.677 38.011 39.000 -0.519 0.000 0.975 323 F HN -0.066 nan 8.300 nan 0.000 0.476 324 A N 0.116 123.069 122.820 0.221 0.000 1.958 324 A HA -0.228 4.093 4.320 0.001 0.000 0.221 324 A C 2.216 179.863 177.584 0.105 0.000 1.178 324 A CA 1.865 53.999 52.037 0.163 0.000 0.642 324 A CB -1.578 17.485 19.000 0.105 0.000 0.816 324 A HN 0.495 nan 8.150 nan 0.000 0.453 325 A N -0.754 122.131 122.820 0.109 0.000 2.248 325 A HA 0.175 4.496 4.320 0.001 0.000 0.210 325 A C 1.813 179.443 177.584 0.076 0.000 1.174 325 A CA 0.936 53.031 52.037 0.096 0.000 0.750 325 A CB -0.543 18.531 19.000 0.122 0.000 0.780 325 A HN 0.507 nan 8.150 nan 0.000 0.478 326 L N -1.353 119.897 121.223 0.046 0.000 2.478 326 L HA 0.091 4.432 4.340 0.001 0.000 0.223 326 L C 1.779 178.676 176.870 0.046 0.000 1.140 326 L CA 0.566 55.413 54.840 0.012 0.000 0.842 326 L CB -0.455 41.527 42.059 -0.128 0.000 0.953 326 L HN 0.561 nan 8.230 nan 0.000 0.452 327 G N 1.030 109.855 108.800 0.042 0.000 2.179 327 G HA2 -0.290 3.671 3.960 0.001 0.000 0.257 327 G HA3 -0.290 3.671 3.960 0.001 0.000 0.257 327 G C 0.182 175.062 174.900 -0.033 0.000 1.010 327 G CA 0.015 45.135 45.100 0.034 0.000 0.736 327 G HN 0.262 nan 8.290 nan 0.000 0.513 328 L N 0.024 121.218 121.223 -0.048 0.000 2.395 328 L HA 0.757 5.098 4.340 0.001 0.000 0.269 328 L C 1.100 177.755 176.870 -0.359 0.000 1.133 328 L CA -0.564 54.178 54.840 -0.164 0.000 0.812 328 L CB 0.907 43.001 42.059 0.058 0.000 1.125 328 L HN 0.567 nan 8.230 nan 0.000 0.452 329 R N 1.852 121.928 120.500 -0.708 0.000 2.747 329 R HA 0.514 4.855 4.340 0.001 0.000 0.272 329 R C -2.173 174.092 176.300 -0.057 0.000 1.032 329 R CA -0.993 54.867 56.100 -0.401 0.000 0.896 329 R CB 1.880 31.879 30.300 -0.503 0.000 1.253 329 R HN 0.679 nan 8.270 nan 0.000 0.461 330 W N 1.555 122.808 121.300 -0.079 0.000 3.419 330 W HA 0.270 4.931 4.660 0.002 0.000 0.298 330 W C -1.206 175.386 176.519 0.121 0.000 1.260 330 W CA -0.895 56.518 57.345 0.113 0.000 1.199 330 W CB 1.604 31.027 29.460 -0.061 0.000 1.349 330 W HN 0.697 nan 8.180 nan 0.000 0.557 331 Y N 1.508 121.741 120.300 -0.112 0.000 2.426 331 Y HA 0.460 5.011 4.550 0.001 0.000 0.344 331 Y C 0.852 176.939 175.900 0.311 0.000 1.256 331 Y CA 0.574 58.681 58.100 0.012 0.000 1.451 331 Y CB 0.141 38.488 38.460 -0.188 0.000 1.342 331 Y HN 0.334 nan 8.280 nan 0.000 0.600 332 A N 2.035 125.110 122.820 0.424 0.000 1.975 332 A HA 0.090 4.411 4.320 0.001 0.000 0.215 332 A C 0.503 178.424 177.584 0.562 0.000 1.170 332 A CA 0.275 52.609 52.037 0.496 0.000 0.656 332 A CB -0.238 18.940 19.000 0.296 0.000 0.821 332 A HN 0.666 nan 8.150 nan 0.000 0.449 333 L N 2.193 123.721 121.223 0.509 0.000 2.262 333 L HA 0.424 4.765 4.340 0.001 0.000 0.288 333 L C -2.598 174.495 176.870 0.373 0.000 1.035 333 L CA -2.311 52.754 54.840 0.374 0.000 0.820 333 L CB 1.401 43.603 42.059 0.239 0.000 1.204 333 L HN -0.020 nan 8.230 nan 0.000 0.424 334 P HA 0.369 nan 4.420 nan 0.000 0.292 334 P C -1.476 175.771 177.300 -0.087 0.000 1.326 334 P CA -0.371 62.667 63.100 -0.103 0.000 0.787 334 P CB 1.450 32.635 31.700 -0.857 0.000 0.903 335 A N 4.332 127.107 122.820 -0.075 0.000 2.569 335 A HA 0.403 4.724 4.320 0.001 0.000 0.282 335 A C -0.384 177.006 177.584 -0.322 0.000 1.165 335 A CA -0.621 51.299 52.037 -0.196 0.000 0.747 335 A CB 0.868 19.793 19.000 -0.124 0.000 1.215 335 A HN 0.284 nan 8.150 nan 0.000 0.431 336 V N 2.778 122.340 119.914 -0.587 0.000 2.572 336 V HA 0.289 4.410 4.120 0.001 0.000 0.291 336 V C 1.214 176.901 176.094 -0.677 0.000 1.039 336 V CA 1.197 63.115 62.300 -0.637 0.000 1.055 336 V CB 1.147 32.467 31.823 -0.838 0.000 0.969 336 V HN 1.145 nan 8.190 nan 0.000 0.482 337 S N 1.509 117.018 115.700 -0.319 0.000 2.900 337 S HA 0.080 4.551 4.470 0.001 0.000 0.253 337 S C 0.730 175.300 174.600 -0.051 0.000 1.029 337 S CA -0.068 58.017 58.200 -0.191 0.000 1.096 337 S CB -0.108 63.020 63.200 -0.120 0.000 1.067 337 S HN 0.818 nan 8.310 nan 0.000 0.610 338 N N 0.940 119.625 118.700 -0.025 0.000 2.171 338 N HA 0.283 5.024 4.740 0.001 0.000 0.212 338 N C -0.004 175.572 175.510 0.110 0.000 1.184 338 N CA -0.308 52.773 53.050 0.051 0.000 0.888 338 N CB -0.211 38.312 38.487 0.060 0.000 1.038 338 N HN 0.362 nan 8.380 nan 0.000 0.517 339 M N 0.976 120.658 119.600 0.137 0.000 2.274 339 M HA 0.292 4.773 4.480 0.001 0.000 0.344 339 M C -0.308 176.156 176.300 0.274 0.000 1.161 339 M CA -0.708 54.736 55.300 0.241 0.000 1.126 339 M CB 2.138 34.922 32.600 0.308 0.000 1.522 339 M HN 0.057 nan 8.290 nan 0.000 0.461 340 L N 3.637 125.011 121.223 0.251 0.000 2.289 340 L HA 0.458 4.799 4.340 0.001 0.000 0.285 340 L C -1.170 175.845 176.870 0.242 0.000 1.049 340 L CA -0.905 54.072 54.840 0.229 0.000 0.804 340 L CB 0.945 43.096 42.059 0.154 0.000 1.195 340 L HN 0.568 nan 8.230 nan 0.000 0.428 341 L N 5.490 126.854 121.223 0.235 0.000 2.276 341 L HA 0.435 4.775 4.340 0.001 0.000 0.286 341 L C -0.430 176.496 176.870 0.093 0.000 1.061 341 L CA 0.336 55.209 54.840 0.055 0.000 0.807 341 L CB 1.112 43.169 42.059 -0.003 0.000 1.177 341 L HN 0.651 nan 8.230 nan 0.000 0.429 342 E N 6.356 126.533 120.200 -0.038 0.000 2.176 342 E HA 0.420 4.771 4.350 0.001 0.000 0.267 342 E C -1.646 174.910 176.600 -0.074 0.000 0.893 342 E CA -0.499 55.911 56.400 0.016 0.000 0.761 342 E CB 1.263 30.997 29.700 0.058 0.000 1.133 342 E HN 0.728 nan 8.360 nan 0.000 0.409 343 I N 2.789 123.324 120.570 -0.059 0.000 2.503 343 I HA 0.269 4.440 4.170 0.001 0.000 0.282 343 I C 0.539 176.493 176.117 -0.272 0.000 1.059 343 I CA -0.568 60.573 61.300 -0.266 0.000 1.081 343 I CB 1.922 39.672 38.000 -0.418 0.000 1.210 343 I HN 0.791 nan 8.210 nan 0.000 0.450 344 G N 4.174 112.888 108.800 -0.144 0.000 2.338 344 G HA2 -0.055 3.906 3.960 0.001 0.000 0.296 344 G HA3 -0.055 3.906 3.960 0.001 0.000 0.296 344 G C 1.023 176.021 174.900 0.164 0.000 1.040 344 G CA 0.638 45.796 45.100 0.096 0.000 1.004 344 G HN 1.553 nan 8.290 nan 0.000 0.509 345 G N -1.839 107.020 108.800 0.099 0.000 2.234 345 G HA2 -0.266 3.695 3.960 0.001 0.000 0.260 345 G HA3 -0.266 3.695 3.960 0.001 0.000 0.260 345 G C 0.563 175.470 174.900 0.012 0.000 0.987 345 G CA 0.656 45.808 45.100 0.087 0.000 0.625 345 G HN 1.381 nan 8.290 nan 0.000 0.532 346 L N 0.799 121.988 121.223 -0.056 0.000 2.350 346 L HA 0.578 4.918 4.340 0.001 0.000 0.275 346 L C 0.301 177.059 176.870 -0.186 0.000 1.099 346 L CA -0.419 54.292 54.840 -0.214 0.000 0.808 346 L CB 1.157 42.996 42.059 -0.367 0.000 1.149 346 L HN 0.196 nan 8.230 nan 0.000 0.442 347 E N 2.757 122.781 120.200 -0.294 0.000 2.187 347 E HA 0.397 4.748 4.350 0.001 0.000 0.268 347 E C -1.502 174.900 176.600 -0.329 0.000 0.896 347 E CA -0.466 55.832 56.400 -0.169 0.000 0.766 347 E CB 1.903 31.554 29.700 -0.082 0.000 1.142 347 E HN 0.273 nan 8.360 nan 0.000 0.408 348 F N 3.324 123.269 119.950 -0.007 0.000 2.307 348 F HA 0.295 4.822 4.527 0.001 0.000 0.369 348 F C -1.792 174.057 175.800 0.081 0.000 1.076 348 F CA -2.211 55.808 58.000 0.032 0.000 1.149 348 F CB 1.362 40.368 39.000 0.010 0.000 1.410 348 F HN 0.366 nan 8.300 nan 0.000 0.481 349 P HA -0.084 nan 4.420 nan 0.000 0.225 349 P C -0.141 177.280 177.300 0.202 0.000 1.148 349 P CA 0.783 63.980 63.100 0.161 0.000 0.779 349 P CB 0.414 32.179 31.700 0.109 0.000 0.780 350 A N -0.262 122.724 122.820 0.277 0.000 2.411 350 A HA 0.722 5.043 4.320 0.001 0.000 0.285 350 A C -0.563 177.258 177.584 0.396 0.000 1.129 350 A CA -0.301 51.909 52.037 0.290 0.000 0.736 350 A CB 0.889 20.025 19.000 0.226 0.000 1.186 350 A HN -0.025 nan 8.150 nan 0.000 0.445 351 A N 4.045 127.055 122.820 0.317 0.000 3.200 351 A HA 0.607 4.928 4.320 0.001 0.000 0.274 351 A C -3.094 174.616 177.584 0.210 0.000 1.220 351 A CA -0.803 51.384 52.037 0.249 0.000 0.904 351 A CB 0.359 19.485 19.000 0.211 0.000 1.415 351 A HN 0.518 nan 8.150 nan 0.000 0.630 352 P HA 0.375 nan 4.420 nan 0.000 0.264 352 P C -0.713 176.515 177.300 -0.120 0.000 1.193 352 P CA 0.578 63.589 63.100 -0.149 0.000 0.763 352 P CB 0.069 31.658 31.700 -0.184 0.000 0.810 353 F N 0.335 120.196 119.950 -0.149 0.000 2.593 353 F HA 0.808 5.336 4.527 0.001 0.000 0.320 353 F C -0.429 175.275 175.800 -0.160 0.000 1.060 353 F CA -1.246 56.666 58.000 -0.146 0.000 0.940 353 F CB 1.692 40.485 39.000 -0.346 0.000 1.268 353 F HN 0.417 nan 8.300 nan 0.000 0.475 354 S N 0.082 115.856 115.700 0.122 0.000 2.550 354 S HA 0.915 5.386 4.470 0.001 0.000 0.270 354 S C -0.832 173.705 174.600 -0.105 0.000 1.145 354 S CA -0.156 58.050 58.200 0.009 0.000 0.852 354 S CB 1.418 64.699 63.200 0.136 0.000 1.119 354 S HN 1.503 nan 8.310 nan 0.000 0.465 355 G N 0.045 108.742 108.800 -0.172 0.000 3.382 355 G HA2 0.745 4.706 3.960 0.001 0.000 0.183 355 G HA3 0.745 4.706 3.960 0.001 0.000 0.183 355 G C -1.445 173.455 174.900 0.000 0.000 1.246 355 G CA -0.237 44.695 45.100 -0.279 0.000 0.828 355 G HN 1.188 nan 8.290 nan 0.000 0.728 356 W N -1.646 119.642 121.300 -0.020 0.000 3.062 356 W HA 0.812 5.473 4.660 0.002 0.000 0.336 356 W C -1.788 174.710 176.519 -0.035 0.000 1.224 356 W CA -2.022 55.327 57.345 0.007 0.000 1.159 356 W CB 0.558 30.059 29.460 0.069 0.000 1.454 356 W HN 0.373 nan 8.180 nan 0.000 0.569 357 Y N 2.624 123.100 120.300 0.293 0.000 2.304 357 Y HA 0.348 4.898 4.550 0.001 0.000 0.327 357 Y C 0.728 176.677 175.900 0.082 0.000 1.209 357 Y CA -0.809 57.352 58.100 0.101 0.000 1.299 357 Y CB 1.452 39.881 38.460 -0.051 0.000 1.249 357 Y HN 0.444 nan 8.280 nan 0.000 0.519 358 M N 2.660 122.414 119.600 0.257 0.000 2.129 358 M HA 0.225 4.706 4.480 0.001 0.000 0.348 358 M C 0.940 177.263 176.300 0.037 0.000 1.116 358 M CA -0.290 55.091 55.300 0.135 0.000 1.022 358 M CB 1.078 33.740 32.600 0.103 0.000 1.599 358 M HN 0.856 nan 8.290 nan 0.000 0.449 359 S N 1.811 117.489 115.700 -0.037 0.000 2.406 359 S HA -0.295 4.176 4.470 0.001 0.000 0.242 359 S C 1.616 176.131 174.600 -0.142 0.000 1.079 359 S CA 2.614 60.739 58.200 -0.126 0.000 1.133 359 S CB -1.859 61.304 63.200 -0.062 0.000 1.005 359 S HN 0.944 nan 8.310 nan 0.000 0.443 360 T N 0.172 114.672 114.554 -0.090 0.000 2.737 360 T HA -0.173 4.178 4.350 0.001 0.000 0.269 360 T C 1.650 176.254 174.700 -0.160 0.000 1.040 360 T CA 1.658 63.667 62.100 -0.152 0.000 1.142 360 T CB -0.714 68.031 68.868 -0.204 0.000 0.861 360 T HN 0.436 nan 8.240 nan 0.000 0.456 361 E N 1.124 121.261 120.200 -0.104 0.000 2.118 361 E HA -0.054 4.297 4.350 0.001 0.000 0.195 361 E C 1.854 178.297 176.600 -0.262 0.000 0.992 361 E CA 1.252 57.607 56.400 -0.074 0.000 0.804 361 E CB -0.457 29.329 29.700 0.142 0.000 0.741 361 E HN 0.757 nan 8.360 nan 0.000 0.458 362 I N -1.373 118.925 120.570 -0.452 0.000 2.364 362 I HA 0.041 4.212 4.170 0.001 0.000 0.241 362 I C 2.385 178.195 176.117 -0.511 0.000 1.082 362 I CA 0.805 61.647 61.300 -0.764 0.000 1.401 362 I CB -0.658 36.781 38.000 -0.934 0.000 1.126 362 I HN 0.179 nan 8.210 nan 0.000 0.429 363 G N 0.281 108.883 108.800 -0.330 0.000 2.418 363 G HA2 -0.182 3.779 3.960 0.001 0.000 0.217 363 G HA3 -0.182 3.779 3.960 0.001 0.000 0.217 363 G C 1.641 176.454 174.900 -0.145 0.000 1.158 363 G CA 1.595 46.580 45.100 -0.192 0.000 0.771 363 G HN 0.291 nan 8.290 nan 0.000 0.545 364 T N -0.030 114.426 114.554 -0.164 0.000 2.904 364 T HA 0.094 4.444 4.350 0.001 0.000 0.243 364 T C 2.545 177.165 174.700 -0.133 0.000 1.024 364 T CA 0.345 62.364 62.100 -0.135 0.000 1.158 364 T CB 0.066 68.840 68.868 -0.157 0.000 0.867 364 T HN 0.024 nan 8.240 nan 0.000 0.429 365 R N 1.962 122.368 120.500 -0.156 0.000 2.060 365 R HA 0.126 4.466 4.340 0.001 0.000 0.225 365 R C 2.228 178.442 176.300 -0.144 0.000 1.155 365 R CA 1.102 57.119 56.100 -0.137 0.000 0.930 365 R CB -1.175 29.055 30.300 -0.116 0.000 0.829 365 R HN 0.333 nan 8.270 nan 0.000 0.433 366 N N 1.078 119.651 118.700 -0.212 0.000 2.120 366 N HA -0.106 4.634 4.740 0.001 0.000 0.188 366 N C 1.995 177.435 175.510 -0.117 0.000 1.024 366 N CA 1.115 54.032 53.050 -0.221 0.000 0.852 366 N CB -0.225 37.875 38.487 -0.644 0.000 1.003 366 N HN 0.205 nan 8.380 nan 0.000 0.424 367 L N -0.744 120.362 121.223 -0.194 0.000 2.249 367 L HA 0.078 4.418 4.340 0.001 0.000 0.207 367 L C 1.545 178.438 176.870 0.038 0.000 1.090 367 L CA 0.413 55.221 54.840 -0.053 0.000 0.802 367 L CB 0.145 42.144 42.059 -0.099 0.000 0.947 367 L HN 0.146 nan 8.230 nan 0.000 0.453 368 C N -1.320 117.973 119.300 -0.011 0.000 2.912 368 C HA 0.149 4.610 4.460 0.001 0.000 0.274 368 C C 0.748 175.738 174.990 0.001 0.000 1.248 368 C CA -0.872 58.153 59.018 0.012 0.000 1.694 368 C CB -0.398 27.339 27.740 -0.006 0.000 2.024 368 C HN 0.299 nan 8.230 nan 0.000 0.605 369 D N 2.650 123.026 120.400 -0.040 0.000 2.488 369 D HA 0.044 4.685 4.640 0.001 0.000 0.238 369 D C -0.979 175.316 176.300 -0.008 0.000 1.138 369 D CA -1.216 52.743 54.000 -0.068 0.000 0.873 369 D CB 0.801 41.433 40.800 -0.279 0.000 1.183 369 D HN 0.204 nan 8.370 nan 0.000 0.458 370 P HA -0.184 nan 4.420 nan 0.000 0.216 370 P C 0.779 178.180 177.300 0.168 0.000 1.150 370 P CA 1.405 64.590 63.100 0.143 0.000 0.837 370 P CB -0.041 31.752 31.700 0.156 0.000 0.786 371 H N -2.141 116.943 119.070 0.024 0.000 2.533 371 H HA 0.299 4.856 4.556 0.002 0.000 0.271 371 H C 1.148 176.487 175.328 0.019 0.000 1.000 371 H CA -0.034 56.026 56.048 0.020 0.000 1.149 371 H CB -0.240 29.534 29.762 0.021 0.000 1.375 371 H HN 0.012 nan 8.280 nan 0.000 0.582 372 R N -0.112 120.297 120.500 -0.152 0.000 2.893 372 R HA 0.172 4.513 4.340 0.001 0.000 0.159 372 R C 1.320 177.589 176.300 -0.052 0.000 1.366 372 R CA -0.702 55.330 56.100 -0.112 0.000 0.929 372 R CB -0.886 29.361 30.300 -0.088 0.000 1.796 372 R HN 0.113 nan 8.270 nan 0.000 0.464 373 Y N 1.411 121.722 120.300 0.018 0.000 2.403 373 Y HA -0.153 4.398 4.550 0.002 0.000 0.291 373 Y C 0.695 176.620 175.900 0.041 0.000 1.143 373 Y CA 1.326 59.452 58.100 0.043 0.000 1.257 373 Y CB -0.460 38.053 38.460 0.088 0.000 0.984 373 Y HN 0.582 nan 8.280 nan 0.000 0.550 374 N N 0.494 119.289 118.700 0.158 0.000 2.650 374 N HA -0.229 4.512 4.740 0.001 0.000 0.272 374 N C 0.316 175.910 175.510 0.140 0.000 1.058 374 N CA 0.665 53.786 53.050 0.119 0.000 0.765 374 N CB -1.049 37.493 38.487 0.092 0.000 0.902 374 N HN 0.616 nan 8.380 nan 0.000 0.551 375 I N -2.653 118.007 120.570 0.151 0.000 3.956 375 I HA 0.157 4.328 4.170 0.001 0.000 0.333 375 I C 1.490 177.696 176.117 0.149 0.000 1.302 375 I CA -0.497 60.890 61.300 0.145 0.000 1.122 375 I CB -0.037 38.048 38.000 0.143 0.000 1.013 375 I HN 0.211 nan 8.210 nan 0.000 0.405 376 L N 1.927 123.243 121.223 0.156 0.000 1.990 376 L HA -0.234 4.107 4.340 0.001 0.000 0.213 376 L C 2.560 179.609 176.870 0.298 0.000 1.072 376 L CA 2.252 57.208 54.840 0.194 0.000 0.755 376 L CB -0.811 41.328 42.059 0.134 0.000 0.889 376 L HN 0.499 nan 8.230 nan 0.000 0.432 377 E N -1.186 119.199 120.200 0.308 0.000 2.072 377 E HA -0.227 4.124 4.350 0.001 0.000 0.191 377 E C 1.773 178.437 176.600 0.107 0.000 0.985 377 E CA 1.243 57.811 56.400 0.281 0.000 0.801 377 E CB -0.001 29.815 29.700 0.194 0.000 0.750 377 E HN 0.511 nan 8.360 nan 0.000 0.452 378 D N 0.047 120.499 120.400 0.087 0.000 2.123 378 D HA -0.158 4.483 4.640 0.001 0.000 0.196 378 D C 2.052 178.360 176.300 0.014 0.000 0.992 378 D CA 1.194 55.210 54.000 0.026 0.000 0.833 378 D CB -0.116 40.706 40.800 0.037 0.000 0.954 378 D HN 0.133 nan 8.370 nan 0.000 0.455 379 V N 1.442 121.418 119.914 0.104 0.000 2.358 379 V HA -0.191 3.930 4.120 0.001 0.000 0.246 379 V C 2.555 178.753 176.094 0.173 0.000 1.047 379 V CA 1.634 64.050 62.300 0.194 0.000 1.035 379 V CB -0.745 31.256 31.823 0.298 0.000 0.658 379 V HN 0.163 nan 8.190 nan 0.000 0.452 380 A N -0.180 122.748 122.820 0.181 0.000 1.933 380 A HA -0.145 4.176 4.320 0.001 0.000 0.218 380 A C 2.379 179.947 177.584 -0.027 0.000 1.175 380 A CA 1.950 54.088 52.037 0.168 0.000 0.628 380 A CB -0.614 18.588 19.000 0.337 0.000 0.814 380 A HN 0.341 nan 8.150 nan 0.000 0.444 381 V N -0.972 118.877 119.914 -0.109 0.000 2.427 381 V HA -0.277 3.844 4.120 0.001 0.000 0.248 381 V C 2.461 178.390 176.094 -0.275 0.000 1.051 381 V CA 1.940 64.126 62.300 -0.191 0.000 1.048 381 V CB -0.855 30.861 31.823 -0.178 0.000 0.666 381 V HN 0.712 nan 8.190 nan 0.000 0.456 382 C N -0.649 118.410 119.300 -0.403 0.000 2.481 382 C HA 0.032 4.493 4.460 0.001 0.000 0.275 382 C C 2.493 176.974 174.990 -0.849 0.000 1.419 382 C CA 0.490 58.980 59.018 -0.880 0.000 1.773 382 C CB -1.011 25.815 27.740 -1.523 0.000 1.862 382 C HN 0.517 nan 8.230 nan 0.000 0.530 383 M N 0.155 119.588 119.600 -0.278 0.000 2.561 383 M HA 0.044 4.525 4.480 0.001 0.000 0.238 383 M C 0.446 176.735 176.300 -0.019 0.000 1.131 383 M CA 0.764 56.092 55.300 0.046 0.000 1.046 383 M CB -0.330 32.402 32.600 0.221 0.000 1.532 383 M HN 0.243 nan 8.290 nan 0.000 0.497 384 D N 1.492 121.823 120.400 -0.116 0.000 2.705 384 D HA -0.156 4.485 4.640 0.001 0.000 0.240 384 D C -1.123 175.148 176.300 -0.049 0.000 1.137 384 D CA 0.439 54.381 54.000 -0.098 0.000 0.677 384 D CB -0.820 39.930 40.800 -0.083 0.000 1.049 384 D HN 0.296 nan 8.370 nan 0.000 0.427 385 L N 0.157 121.352 121.223 -0.045 0.000 2.344 385 L HA 0.397 4.738 4.340 0.001 0.000 0.272 385 L C 0.807 177.625 176.870 -0.088 0.000 1.035 385 L CA -1.011 53.825 54.840 -0.008 0.000 0.807 385 L CB 1.049 43.163 42.059 0.091 0.000 1.237 385 L HN 0.025 nan 8.230 nan 0.000 0.442 386 D N 0.969 121.340 120.400 -0.047 0.000 2.398 386 D HA -0.019 4.622 4.640 0.001 0.000 0.250 386 D C 1.053 177.226 176.300 -0.211 0.000 1.287 386 D CA -0.081 53.864 54.000 -0.092 0.000 0.992 386 D CB 0.646 41.436 40.800 -0.016 0.000 1.071 386 D HN 0.607 nan 8.370 nan 0.000 0.514 387 T N -0.287 113.978 114.554 -0.482 0.000 3.219 387 T HA 0.091 4.442 4.350 0.001 0.000 0.249 387 T C 1.804 176.198 174.700 -0.510 0.000 1.099 387 T CA 0.366 61.825 62.100 -1.069 0.000 0.988 387 T CB -0.095 67.922 68.868 -1.418 0.000 0.999 387 T HN 0.280 nan 8.240 nan 0.000 0.550 388 R N 0.326 120.694 120.500 -0.220 0.000 2.280 388 R HA 0.299 4.640 4.340 0.001 0.000 0.207 388 R C 1.301 177.612 176.300 0.019 0.000 1.043 388 R CA 1.191 57.239 56.100 -0.086 0.000 1.006 388 R CB -0.886 29.378 30.300 -0.060 0.000 0.885 388 R HN 0.570 nan 8.270 nan 0.000 0.467 389 T N -3.110 111.503 114.554 0.099 0.000 2.889 389 T HA 0.274 4.625 4.350 0.001 0.000 0.315 389 T C 1.194 176.087 174.700 0.321 0.000 1.291 389 T CA 0.303 62.509 62.100 0.176 0.000 1.028 389 T CB 1.654 70.585 68.868 0.104 0.000 1.235 389 T HN 0.322 nan 8.240 nan 0.000 0.491 390 T N 0.603 115.297 114.554 0.234 0.000 2.867 390 T HA -0.034 4.317 4.350 0.001 0.000 0.268 390 T C 1.982 176.736 174.700 0.091 0.000 1.057 390 T CA 1.723 63.910 62.100 0.146 0.000 1.136 390 T CB -0.575 68.326 68.868 0.056 0.000 0.874 390 T HN 0.476 nan 8.240 nan 0.000 0.466 391 S N 2.377 118.134 115.700 0.094 0.000 2.420 391 S HA -0.145 4.325 4.470 0.001 0.000 0.237 391 S C 2.391 177.040 174.600 0.081 0.000 1.023 391 S CA 1.423 59.663 58.200 0.067 0.000 0.991 391 S CB -0.662 62.574 63.200 0.059 0.000 0.792 391 S HN 0.899 nan 8.310 nan 0.000 0.488 392 S N 1.447 117.230 115.700 0.140 0.000 2.481 392 S HA 0.118 4.588 4.470 0.001 0.000 0.231 392 S C 0.874 175.556 174.600 0.136 0.000 0.996 392 S CA 0.285 58.576 58.200 0.151 0.000 0.942 392 S CB -0.741 62.584 63.200 0.209 0.000 0.768 392 S HN 0.483 nan 8.310 nan 0.000 0.520 393 L N 0.773 122.049 121.223 0.088 0.000 3.717 393 L HA -0.155 4.186 4.340 0.001 0.000 0.411 393 L C 1.506 178.379 176.870 0.005 0.000 1.233 393 L CA 0.597 55.422 54.840 -0.026 0.000 0.917 393 L CB -2.563 39.491 42.059 -0.009 0.000 1.902 393 L HN 0.730 nan 8.230 nan 0.000 0.894 394 W N -0.140 121.175 121.300 0.024 0.000 2.374 394 W HA -0.120 4.541 4.660 0.001 0.000 0.288 394 W C 1.701 178.243 176.519 0.038 0.000 1.218 394 W CA 1.224 58.587 57.345 0.031 0.000 1.245 394 W CB -0.663 28.812 29.460 0.024 0.000 1.126 394 W HN 0.290 nan 8.180 nan 0.000 0.545 395 K N 0.982 120.966 120.400 -0.693 0.000 2.057 395 K HA -0.148 4.173 4.320 0.001 0.000 0.206 395 K C 1.535 177.998 176.600 -0.227 0.000 1.050 395 K CA 2.241 58.154 56.287 -0.622 0.000 0.935 395 K CB -0.274 31.687 32.500 -0.898 0.000 0.715 395 K HN -0.001 nan 8.250 nan 0.000 0.439 396 D N 0.614 120.899 120.400 -0.192 0.000 2.117 396 D HA -0.114 4.527 4.640 0.001 0.000 0.198 396 D C 1.645 177.938 176.300 -0.011 0.000 0.982 396 D CA 1.207 55.153 54.000 -0.089 0.000 0.828 396 D CB 0.041 40.796 40.800 -0.075 0.000 0.967 396 D HN 0.095 nan 8.370 nan 0.000 0.464 397 K N 0.424 120.843 120.400 0.033 0.000 2.057 397 K HA 0.003 4.324 4.320 0.001 0.000 0.206 397 K C 2.168 178.843 176.600 0.125 0.000 1.050 397 K CA 1.113 57.453 56.287 0.089 0.000 0.935 397 K CB -0.125 32.451 32.500 0.126 0.000 0.715 397 K HN 0.073 nan 8.250 nan 0.000 0.439 398 A N 1.512 124.426 122.820 0.157 0.000 1.877 398 A HA -0.125 4.195 4.320 0.001 0.000 0.216 398 A C 2.384 180.064 177.584 0.160 0.000 1.186 398 A CA 1.867 54.028 52.037 0.207 0.000 0.620 398 A CB -0.807 18.352 19.000 0.265 0.000 0.822 398 A HN 0.333 nan 8.150 nan 0.000 0.443 399 A N -0.507 122.364 122.820 0.084 0.000 1.908 399 A HA -0.054 4.266 4.320 0.001 0.000 0.218 399 A C 2.243 179.852 177.584 0.043 0.000 1.181 399 A CA 1.944 54.007 52.037 0.043 0.000 0.627 399 A CB -1.017 17.970 19.000 -0.022 0.000 0.818 399 A HN 0.415 nan 8.150 nan 0.000 0.445 400 V N 0.248 120.192 119.914 0.049 0.000 2.295 400 V HA -0.225 3.895 4.120 0.001 0.000 0.246 400 V C 2.570 178.703 176.094 0.066 0.000 1.049 400 V CA 2.193 64.524 62.300 0.052 0.000 1.024 400 V CB -0.730 31.130 31.823 0.062 0.000 0.648 400 V HN 0.516 nan 8.190 nan 0.000 0.447 401 E N -0.097 120.172 120.200 0.114 0.000 2.153 401 E HA -0.121 4.230 4.350 0.001 0.000 0.194 401 E C 2.122 178.767 176.600 0.075 0.000 0.988 401 E CA 1.124 57.616 56.400 0.153 0.000 0.811 401 E CB -0.307 29.535 29.700 0.237 0.000 0.746 401 E HN 0.587 nan 8.360 nan 0.000 0.466 402 I N 1.409 122.055 120.570 0.126 0.000 2.226 402 I HA -0.254 3.917 4.170 0.001 0.000 0.245 402 I C 2.078 178.181 176.117 -0.023 0.000 1.100 402 I CA 0.853 62.225 61.300 0.120 0.000 1.374 402 I CB -0.324 37.792 38.000 0.194 0.000 1.057 402 I HN 0.099 nan 8.210 nan 0.000 0.413 403 N N 0.532 119.217 118.700 -0.026 0.000 2.188 403 N HA -0.110 4.631 4.740 0.001 0.000 0.184 403 N C 1.989 177.452 175.510 -0.078 0.000 1.018 403 N CA 1.118 54.137 53.050 -0.053 0.000 0.858 403 N CB 0.057 38.529 38.487 -0.024 0.000 0.989 403 N HN 0.158 nan 8.380 nan 0.000 0.426 404 V N 1.965 121.817 119.914 -0.103 0.000 2.343 404 V HA -0.224 3.897 4.120 0.001 0.000 0.247 404 V C 2.517 178.438 176.094 -0.287 0.000 1.051 404 V CA 1.838 64.029 62.300 -0.182 0.000 1.036 404 V CB -0.825 30.852 31.823 -0.244 0.000 0.654 404 V HN 0.273 nan 8.190 nan 0.000 0.451 405 A N -0.172 122.405 122.820 -0.404 0.000 1.883 405 A HA -0.176 4.145 4.320 0.001 0.000 0.217 405 A C 2.407 179.884 177.584 -0.178 0.000 1.186 405 A CA 2.206 53.958 52.037 -0.475 0.000 0.624 405 A CB -0.770 17.685 19.000 -0.909 0.000 0.822 405 A HN 0.327 nan 8.150 nan 0.000 0.444 406 V N 0.082 119.931 119.914 -0.110 0.000 2.255 406 V HA -0.294 3.827 4.120 0.001 0.000 0.247 406 V C 2.605 178.733 176.094 0.057 0.000 1.051 406 V CA 2.133 64.439 62.300 0.009 0.000 1.018 406 V CB -0.855 30.915 31.823 -0.090 0.000 0.641 406 V HN 0.569 nan 8.190 nan 0.000 0.445 407 L N -0.595 120.613 121.223 -0.024 0.000 2.012 407 L HA -0.245 4.096 4.340 0.001 0.000 0.210 407 L C 2.625 179.515 176.870 0.033 0.000 1.073 407 L CA 2.296 57.133 54.840 -0.004 0.000 0.748 407 L CB -0.822 41.224 42.059 -0.022 0.000 0.891 407 L HN 0.492 nan 8.230 nan 0.000 0.431 408 H N -0.470 118.540 119.070 -0.100 0.000 2.319 408 H HA -0.148 4.408 4.556 0.001 0.000 0.299 408 H C 2.354 177.643 175.328 -0.065 0.000 1.092 408 H CA 1.998 57.978 56.048 -0.114 0.000 1.302 408 H CB 0.028 29.658 29.762 -0.219 0.000 1.373 408 H HN 0.156 nan 8.280 nan 0.000 0.497 409 S N -0.518 115.125 115.700 -0.095 0.000 2.356 409 S HA -0.167 4.303 4.470 0.001 0.000 0.223 409 S C 1.898 176.423 174.600 -0.124 0.000 1.032 409 S CA 1.374 59.493 58.200 -0.136 0.000 1.005 409 S CB -0.556 62.627 63.200 -0.028 0.000 0.867 409 S HN 0.470 nan 8.310 nan 0.000 0.449 410 Y N 2.033 122.264 120.300 -0.115 0.000 2.224 410 Y HA -0.117 4.434 4.550 0.002 0.000 0.289 410 Y C 2.664 178.505 175.900 -0.099 0.000 1.146 410 Y CA 1.119 59.173 58.100 -0.076 0.000 1.182 410 Y CB -0.380 38.059 38.460 -0.036 0.000 0.983 410 Y HN 0.326 nan 8.280 nan 0.000 0.524 411 Q N -0.908 118.900 119.800 0.013 0.000 2.172 411 Q HA -0.135 4.205 4.340 0.001 0.000 0.200 411 Q C 2.161 178.089 176.000 -0.120 0.000 0.964 411 Q CA 1.179 56.950 55.803 -0.053 0.000 0.855 411 Q CB -0.246 28.456 28.738 -0.061 0.000 0.918 411 Q HN 0.433 nan 8.270 nan 0.000 0.444 412 L N 0.275 121.369 121.223 -0.215 0.000 2.056 412 L HA 0.011 4.352 4.340 0.001 0.000 0.207 412 L C 1.831 178.610 176.870 -0.151 0.000 1.078 412 L CA 1.823 56.525 54.840 -0.230 0.000 0.749 412 L CB -0.437 41.401 42.059 -0.370 0.000 0.901 412 L HN 0.059 nan 8.230 nan 0.000 0.433 413 A N -1.023 121.705 122.820 -0.152 0.000 2.259 413 A HA 0.062 4.383 4.320 0.001 0.000 0.208 413 A C 0.819 178.347 177.584 -0.094 0.000 1.201 413 A CA 0.093 52.051 52.037 -0.131 0.000 0.824 413 A CB -0.500 18.389 19.000 -0.185 0.000 0.838 413 A HN 0.441 nan 8.150 nan 0.000 0.485 414 K N -1.340 119.015 120.400 -0.075 0.000 3.069 414 K HA -0.140 4.181 4.320 0.001 0.000 0.267 414 K C -0.403 176.178 176.600 -0.032 0.000 1.082 414 K CA 0.879 57.135 56.287 -0.053 0.000 0.782 414 K CB -2.682 29.787 32.500 -0.052 0.000 1.230 414 K HN 0.332 nan 8.250 nan 0.000 0.488 415 V N 1.284 121.195 119.914 -0.005 0.000 2.472 415 V HA 0.166 4.287 4.120 0.001 0.000 0.290 415 V C 0.955 177.127 176.094 0.131 0.000 1.037 415 V CA -0.623 61.717 62.300 0.067 0.000 0.908 415 V CB 1.890 33.754 31.823 0.068 0.000 0.985 415 V HN 0.212 nan 8.190 nan 0.000 0.454 416 T N 5.992 120.587 114.554 0.068 0.000 2.905 416 T HA 0.325 4.676 4.350 0.001 0.000 0.299 416 T C -0.286 174.453 174.700 0.066 0.000 1.024 416 T CA 0.929 63.002 62.100 -0.045 0.000 1.151 416 T CB -0.104 68.642 68.868 -0.204 0.000 0.987 416 T HN 0.521 nan 8.240 nan 0.000 0.535 417 I N 3.212 123.768 120.570 -0.023 0.000 2.908 417 I HA 0.663 4.834 4.170 0.001 0.000 0.300 417 I C -1.664 174.457 176.117 0.006 0.000 1.385 417 I CA -0.782 60.520 61.300 0.002 0.000 1.004 417 I CB 2.153 40.116 38.000 -0.062 0.000 1.309 417 I HN 0.432 nan 8.210 nan 0.000 0.449 418 V N 5.588 125.546 119.914 0.074 0.000 2.733 418 V HA 0.584 4.705 4.120 0.001 0.000 0.306 418 V C -1.423 174.707 176.094 0.060 0.000 1.084 418 V CA -0.273 62.081 62.300 0.089 0.000 0.905 418 V CB 2.068 34.015 31.823 0.206 0.000 1.010 418 V HN 0.943 nan 8.190 nan 0.000 0.424 419 D N 4.192 124.605 120.400 0.022 0.000 2.329 419 D HA 0.205 4.846 4.640 0.001 0.000 0.246 419 D C 1.340 177.608 176.300 -0.054 0.000 1.111 419 D CA 0.193 54.181 54.000 -0.019 0.000 0.941 419 D CB 0.553 41.313 40.800 -0.068 0.000 1.169 419 D HN 0.747 nan 8.370 nan 0.000 0.441 420 H N 0.390 119.380 119.070 -0.134 0.000 2.489 420 H HA -0.168 4.389 4.556 0.002 0.000 0.295 420 H C 0.831 176.047 175.328 -0.187 0.000 1.082 420 H CA 1.324 57.260 56.048 -0.187 0.000 1.295 420 H CB -0.488 29.111 29.762 -0.271 0.000 1.380 420 H HN 0.528 nan 8.280 nan 0.000 0.548 421 H N 1.221 120.099 119.070 -0.320 0.000 2.307 421 H HA 0.142 4.699 4.556 0.001 0.000 0.303 421 H C 2.593 177.897 175.328 -0.040 0.000 1.073 421 H CA 1.363 57.312 56.048 -0.164 0.000 1.338 421 H CB -0.405 29.225 29.762 -0.220 0.000 1.389 421 H HN 0.502 nan 8.280 nan 0.000 0.503 422 A N 1.472 124.339 122.820 0.078 0.000 1.902 422 A HA -0.095 4.226 4.320 0.001 0.000 0.217 422 A C 2.697 180.341 177.584 0.100 0.000 1.181 422 A CA 1.844 53.929 52.037 0.080 0.000 0.623 422 A CB -0.879 18.158 19.000 0.062 0.000 0.818 422 A HN 0.436 nan 8.150 nan 0.000 0.443 423 A N -0.103 122.774 122.820 0.095 0.000 1.865 423 A HA -0.157 4.164 4.320 0.001 0.000 0.217 423 A C 2.485 180.152 177.584 0.138 0.000 1.191 423 A CA 2.858 54.968 52.037 0.122 0.000 0.623 423 A CB -1.574 17.487 19.000 0.102 0.000 0.826 423 A HN 0.807 nan 8.150 nan 0.000 0.444 424 T N -2.011 112.612 114.554 0.115 0.000 2.833 424 T HA 0.078 4.429 4.350 0.001 0.000 0.269 424 T C 1.908 176.730 174.700 0.203 0.000 1.054 424 T CA 1.650 63.842 62.100 0.152 0.000 1.135 424 T CB -0.571 68.363 68.868 0.110 0.000 0.869 424 T HN 0.597 nan 8.240 nan 0.000 0.466 425 A N 2.263 125.179 122.820 0.159 0.000 1.930 425 A HA -0.015 4.306 4.320 0.001 0.000 0.217 425 A C 2.759 180.425 177.584 0.137 0.000 1.175 425 A CA 2.138 54.258 52.037 0.140 0.000 0.627 425 A CB -1.089 17.977 19.000 0.109 0.000 0.815 425 A HN 0.743 nan 8.150 nan 0.000 0.443 426 S N -1.372 114.418 115.700 0.150 0.000 2.402 426 S HA -0.130 4.341 4.470 0.001 0.000 0.229 426 S C 1.833 176.540 174.600 0.178 0.000 1.021 426 S CA 1.228 59.513 58.200 0.143 0.000 0.974 426 S CB -0.729 62.559 63.200 0.147 0.000 0.800 426 S HN 0.524 nan 8.310 nan 0.000 0.484 427 F N 1.934 121.933 119.950 0.080 0.000 2.234 427 F HA 0.044 4.572 4.527 0.001 0.000 0.299 427 F C 2.275 178.151 175.800 0.126 0.000 1.087 427 F CA 1.229 59.288 58.000 0.098 0.000 1.340 427 F CB -0.197 38.838 39.000 0.058 0.000 1.031 427 F HN 0.108 nan 8.300 nan 0.000 0.500 428 M N 0.095 119.749 119.600 0.091 0.000 2.213 428 M HA -0.167 4.314 4.480 0.001 0.000 0.263 428 M C 2.101 178.360 176.300 -0.068 0.000 1.062 428 M CA 1.395 56.697 55.300 0.003 0.000 1.105 428 M CB -1.074 31.582 32.600 0.093 0.000 1.385 428 M HN 0.073 nan 8.290 nan 0.000 0.417 429 K N -0.241 120.148 120.400 -0.018 0.000 2.062 429 K HA -0.172 4.149 4.320 0.001 0.000 0.205 429 K C 1.955 178.518 176.600 -0.062 0.000 1.051 429 K CA 1.572 57.847 56.287 -0.020 0.000 0.941 429 K CB -0.599 31.916 32.500 0.025 0.000 0.719 429 K HN 0.346 nan 8.250 nan 0.000 0.440 430 H N 0.067 119.028 119.070 -0.183 0.000 2.387 430 H HA -0.010 4.546 4.556 0.001 0.000 0.299 430 H C 1.605 176.747 175.328 -0.310 0.000 1.099 430 H CA 2.087 57.999 56.048 -0.228 0.000 1.315 430 H CB -0.106 29.478 29.762 -0.297 0.000 1.380 430 H HN 0.170 nan 8.280 nan 0.000 0.513 431 L N -0.103 120.820 121.223 -0.501 0.000 2.093 431 L HA -0.119 4.222 4.340 0.001 0.000 0.208 431 L C 2.613 179.316 176.870 -0.279 0.000 1.085 431 L CA 1.732 56.307 54.840 -0.441 0.000 0.755 431 L CB -0.432 41.424 42.059 -0.339 0.000 0.904 431 L HN 0.444 nan 8.230 nan 0.000 0.435 432 E N 0.285 120.366 120.200 -0.199 0.000 2.072 432 E HA -0.205 4.146 4.350 0.001 0.000 0.191 432 E C 1.917 178.436 176.600 -0.135 0.000 0.985 432 E CA 0.990 57.311 56.400 -0.131 0.000 0.801 432 E CB 0.177 29.827 29.700 -0.084 0.000 0.750 432 E HN 0.428 nan 8.360 nan 0.000 0.452 433 N N 0.836 119.443 118.700 -0.155 0.000 2.120 433 N HA -0.150 4.591 4.740 0.001 0.000 0.188 433 N C 1.622 177.040 175.510 -0.153 0.000 1.024 433 N CA 1.001 53.979 53.050 -0.120 0.000 0.852 433 N CB -0.194 38.246 38.487 -0.078 0.000 1.003 433 N HN 0.216 nan 8.380 nan 0.000 0.424 434 E N 0.710 120.740 120.200 -0.284 0.000 2.106 434 E HA -0.150 4.201 4.350 0.001 0.000 0.192 434 E C 1.884 178.384 176.600 -0.167 0.000 0.984 434 E CA 0.594 56.832 56.400 -0.271 0.000 0.806 434 E CB -0.158 29.277 29.700 -0.441 0.000 0.750 434 E HN 0.318 nan 8.360 nan 0.000 0.458 435 Q N 1.325 121.033 119.800 -0.153 0.000 2.124 435 Q HA -0.108 4.233 4.340 0.001 0.000 0.202 435 Q C 1.710 177.660 176.000 -0.083 0.000 0.977 435 Q CA 1.572 57.312 55.803 -0.105 0.000 0.850 435 Q CB 0.058 28.738 28.738 -0.097 0.000 0.901 435 Q HN 0.121 nan 8.270 nan 0.000 0.429 436 K N -1.083 119.270 120.400 -0.079 0.000 2.228 436 K HA 0.090 4.411 4.320 0.001 0.000 0.202 436 K C 1.842 178.412 176.600 -0.050 0.000 1.051 436 K CA 0.717 56.970 56.287 -0.058 0.000 0.960 436 K CB 0.074 32.544 32.500 -0.049 0.000 0.743 436 K HN 0.212 nan 8.250 nan 0.000 0.458 437 A N 1.529 124.316 122.820 -0.054 0.000 1.850 437 A HA -0.024 4.297 4.320 0.001 0.000 0.212 437 A C 1.835 179.395 177.584 -0.041 0.000 1.208 437 A CA 0.922 52.939 52.037 -0.035 0.000 0.609 437 A CB 0.004 18.995 19.000 -0.015 0.000 0.860 437 A HN 0.125 nan 8.150 nan 0.000 0.448 438 R N -2.138 118.327 120.500 -0.060 0.000 2.446 438 R HA 0.290 4.631 4.340 0.001 0.000 0.254 438 R C 0.794 177.059 176.300 -0.057 0.000 0.918 438 R CA 0.526 56.595 56.100 -0.051 0.000 1.069 438 R CB 0.698 30.967 30.300 -0.051 0.000 1.194 438 R HN 0.723 nan 8.270 nan 0.000 0.534 439 G N 0.867 109.625 108.800 -0.069 0.000 2.149 439 G HA2 -0.156 3.805 3.960 0.001 0.000 0.235 439 G HA3 -0.156 3.805 3.960 0.001 0.000 0.235 439 G C 0.154 175.020 174.900 -0.056 0.000 1.018 439 G CA -0.065 44.987 45.100 -0.080 0.000 0.728 439 G HN 0.710 nan 8.290 nan 0.000 0.508 440 G N -2.380 106.399 108.800 -0.036 0.000 2.321 440 G HA2 0.560 4.521 3.960 0.001 0.000 0.298 440 G HA3 0.560 4.521 3.960 0.001 0.000 0.298 440 G C -0.910 174.004 174.900 0.024 0.000 1.385 440 G CA 0.302 45.419 45.100 0.027 0.000 0.856 440 G HN 1.875 nan 8.290 nan 0.000 0.584 441 C N 2.116 121.460 119.300 0.073 0.000 2.705 441 C HA 0.743 5.204 4.460 0.001 0.000 0.369 441 C C -2.539 172.410 174.990 -0.069 0.000 1.069 441 C CA -1.308 57.694 59.018 -0.028 0.000 1.260 441 C CB 1.438 29.101 27.740 -0.129 0.000 1.764 441 C HN 0.679 nan 8.230 nan 0.000 0.469 442 P HA 0.404 nan 4.420 nan 0.000 0.271 442 P C -0.695 176.470 177.300 -0.225 0.000 1.233 442 P CA 0.556 63.219 63.100 -0.729 0.000 0.764 442 P CB 1.071 32.185 31.700 -0.976 0.000 0.825 443 A N 2.840 125.607 122.820 -0.089 0.000 2.488 443 A HA 0.395 4.715 4.320 0.001 0.000 0.298 443 A C -1.014 176.617 177.584 0.078 0.000 1.044 443 A CA -0.583 51.495 52.037 0.068 0.000 0.693 443 A CB 1.311 20.475 19.000 0.274 0.000 1.272 443 A HN 0.455 nan 8.150 nan 0.000 0.402 444 D N 2.069 122.505 120.400 0.059 0.000 2.443 444 D HA 0.117 4.758 4.640 0.001 0.000 0.221 444 D C 0.791 177.228 176.300 0.228 0.000 1.097 444 D CA -0.409 53.673 54.000 0.136 0.000 0.865 444 D CB 0.456 41.285 40.800 0.049 0.000 1.034 444 D HN 0.640 nan 8.370 nan 0.000 0.511 445 W N 4.316 125.661 121.300 0.075 0.000 2.304 445 W HA -0.322 4.339 4.660 0.002 0.000 0.315 445 W C 1.964 178.509 176.519 0.043 0.000 1.233 445 W CA 2.348 59.718 57.345 0.042 0.000 1.261 445 W CB 0.051 29.515 29.460 0.006 0.000 1.150 445 W HN 0.562 nan 8.180 nan 0.000 0.494 446 A N -0.974 122.122 122.820 0.459 0.000 1.978 446 A HA -0.213 4.107 4.320 0.001 0.000 0.220 446 A C 1.496 179.079 177.584 -0.002 0.000 1.170 446 A CA 1.774 53.971 52.037 0.266 0.000 0.636 446 A CB -1.344 17.828 19.000 0.288 0.000 0.810 446 A HN 0.544 nan 8.150 nan 0.000 0.448 447 W N -0.836 120.419 121.300 -0.074 0.000 2.704 447 W HA 0.195 4.856 4.660 0.001 0.000 0.266 447 W C 1.848 178.236 176.519 -0.219 0.000 1.266 447 W CA -0.190 57.084 57.345 -0.120 0.000 1.377 447 W CB -0.187 29.224 29.460 -0.081 0.000 1.082 447 W HN 0.129 nan 8.180 nan 0.000 0.608 448 I N -0.052 120.460 120.570 -0.097 0.000 2.252 448 I HA -0.094 4.076 4.170 0.001 0.000 0.245 448 I C 0.734 176.642 176.117 -0.348 0.000 1.102 448 I CA 0.806 61.916 61.300 -0.318 0.000 1.385 448 I CB -1.513 36.221 38.000 -0.443 0.000 1.064 448 I HN -0.387 nan 8.210 nan 0.000 0.414 449 V N 4.891 124.516 119.914 -0.481 0.000 2.529 449 V HA 0.058 4.179 4.120 0.001 0.000 0.292 449 V C -1.686 174.231 176.094 -0.295 0.000 1.028 449 V CA -0.990 61.020 62.300 -0.483 0.000 1.074 449 V CB 0.216 31.520 31.823 -0.864 0.000 0.958 449 V HN 0.180 nan 8.190 nan 0.000 0.481 450 P HA 0.137 nan 4.420 nan 0.000 0.269 450 P C -1.982 175.183 177.300 -0.224 0.000 1.209 450 P CA -1.411 61.565 63.100 -0.207 0.000 0.776 450 P CB 0.287 31.865 31.700 -0.203 0.000 0.876 451 P HA -0.065 nan 4.420 nan 0.000 0.223 451 P C 0.600 177.783 177.300 -0.195 0.000 1.144 451 P CA 1.393 64.373 63.100 -0.199 0.000 0.783 451 P CB 0.027 31.613 31.700 -0.190 0.000 0.771 452 I N -7.118 113.292 120.570 -0.266 0.000 2.828 452 I HA 0.458 4.629 4.170 0.001 0.000 0.302 452 I C -0.131 175.831 176.117 -0.258 0.000 1.101 452 I CA -1.244 59.909 61.300 -0.245 0.000 1.031 452 I CB 2.111 39.957 38.000 -0.256 0.000 1.231 452 I HN -0.389 nan 8.210 nan 0.000 0.427 453 S N 2.330 117.947 115.700 -0.139 0.000 3.587 453 S HA -0.190 4.281 4.470 0.001 0.000 0.337 453 S C 1.344 175.906 174.600 -0.065 0.000 1.119 453 S CA 0.810 58.974 58.200 -0.059 0.000 0.976 453 S CB -1.705 61.531 63.200 0.061 0.000 0.922 453 S HN 1.272 nan 8.310 nan 0.000 0.503 454 G N 2.507 111.244 108.800 -0.105 0.000 2.672 454 G HA2 -0.344 3.616 3.960 0.001 0.000 0.218 454 G HA3 -0.344 3.616 3.960 0.001 0.000 0.218 454 G C 1.495 176.265 174.900 -0.217 0.000 1.238 454 G CA 1.700 46.756 45.100 -0.074 0.000 0.791 454 G HN 1.365 nan 8.290 nan 0.000 0.606 455 S N 0.349 115.622 115.700 -0.712 0.000 2.537 455 S HA 0.102 4.573 4.470 0.001 0.000 0.240 455 S C 2.133 176.631 174.600 -0.171 0.000 0.981 455 S CA 0.932 58.526 58.200 -1.010 0.000 0.948 455 S CB -0.267 62.240 63.200 -1.156 0.000 0.759 455 S HN 0.337 nan 8.310 nan 0.000 0.531 456 L N 1.660 122.860 121.223 -0.038 0.000 2.492 456 L HA 0.133 4.474 4.340 0.001 0.000 0.223 456 L C 1.263 178.263 176.870 0.216 0.000 1.132 456 L CA 0.568 55.480 54.840 0.121 0.000 0.850 456 L CB -0.837 41.328 42.059 0.176 0.000 0.966 456 L HN 0.495 nan 8.230 nan 0.000 0.454 457 T N -4.076 110.594 114.554 0.193 0.000 2.929 457 T HA 0.295 4.646 4.350 0.001 0.000 0.284 457 T C -1.663 173.200 174.700 0.273 0.000 1.014 457 T CA -2.005 60.230 62.100 0.224 0.000 1.051 457 T CB 1.799 70.757 68.868 0.150 0.000 1.028 457 T HN -0.179 nan 8.240 nan 0.000 0.485 458 P HA -0.068 nan 4.420 nan 0.000 0.222 458 P C 1.729 179.219 177.300 0.316 0.000 1.147 458 P CA 0.855 64.138 63.100 0.305 0.000 0.790 458 P CB -0.265 31.563 31.700 0.213 0.000 0.780 459 V N -4.100 115.957 119.914 0.238 0.000 2.667 459 V HA -0.142 3.979 4.120 0.001 0.000 0.252 459 V C 2.311 178.494 176.094 0.149 0.000 1.065 459 V CA 0.906 63.321 62.300 0.192 0.000 1.083 459 V CB -2.081 29.803 31.823 0.101 0.000 0.692 459 V HN -0.129 nan 8.190 nan 0.000 0.468 460 F N 2.192 122.115 119.950 -0.044 0.000 2.126 460 F HA -0.171 4.356 4.527 0.001 0.000 0.299 460 F C 2.456 178.356 175.800 0.167 0.000 1.096 460 F CA 2.326 60.290 58.000 -0.060 0.000 1.255 460 F CB -0.354 38.484 39.000 -0.270 0.000 0.997 460 F HN 0.304 nan 8.300 nan 0.000 0.479 461 H N -0.874 118.535 119.070 0.565 0.000 2.543 461 H HA 0.088 4.645 4.556 0.001 0.000 0.269 461 H C 0.256 175.830 175.328 0.409 0.000 1.005 461 H CA 0.275 56.611 56.048 0.481 0.000 1.146 461 H CB -0.277 29.744 29.762 0.432 0.000 1.353 461 H HN 0.260 nan 8.280 nan 0.000 0.595 462 Q N 1.953 122.021 119.800 0.447 0.000 2.347 462 Q HA 0.164 4.505 4.340 0.001 0.000 0.262 462 Q C -0.604 175.627 176.000 0.384 0.000 0.980 462 Q CA -0.446 55.572 55.803 0.360 0.000 0.867 462 Q CB 0.827 29.742 28.738 0.296 0.000 1.242 462 Q HN 0.242 nan 8.270 nan 0.000 0.453 463 E N 3.476 123.849 120.200 0.289 0.000 2.383 463 E HA 0.294 4.645 4.350 0.001 0.000 0.264 463 E C -0.448 176.288 176.600 0.226 0.000 1.050 463 E CA 0.193 56.725 56.400 0.220 0.000 0.896 463 E CB 0.898 30.706 29.700 0.180 0.000 0.982 463 E HN 0.598 nan 8.360 nan 0.000 0.424 464 M N 1.342 121.079 119.600 0.228 0.000 2.550 464 M HA 0.400 4.881 4.480 0.001 0.000 0.292 464 M C -1.191 175.225 176.300 0.193 0.000 1.221 464 M CA -1.039 54.403 55.300 0.237 0.000 0.873 464 M CB 2.424 35.219 32.600 0.325 0.000 1.727 464 M HN 0.166 nan 8.290 nan 0.000 0.459 465 V N 1.363 121.403 119.914 0.209 0.000 2.495 465 V HA 0.412 4.532 4.120 0.001 0.000 0.298 465 V C -0.673 175.567 176.094 0.244 0.000 1.031 465 V CA -0.747 61.707 62.300 0.257 0.000 0.871 465 V CB 1.694 33.722 31.823 0.341 0.000 0.988 465 V HN 0.870 nan 8.190 nan 0.000 0.432 466 N N 3.428 122.267 118.700 0.231 0.000 2.392 466 N HA 0.673 5.414 4.740 0.001 0.000 0.283 466 N C -1.715 173.937 175.510 0.237 0.000 1.003 466 N CA -0.418 52.699 53.050 0.110 0.000 0.892 466 N CB 1.460 40.008 38.487 0.102 0.000 1.193 466 N HN 0.745 nan 8.380 nan 0.000 0.487 467 Y N 0.930 121.277 120.300 0.077 0.000 2.624 467 Y HA 0.412 4.963 4.550 0.001 0.000 0.334 467 Y C -1.799 174.168 175.900 0.112 0.000 1.155 467 Y CA -1.375 56.786 58.100 0.101 0.000 1.046 467 Y CB 0.637 39.149 38.460 0.087 0.000 1.316 467 Y HN 0.288 nan 8.280 nan 0.000 0.457 468 F N 3.800 123.847 119.950 0.162 0.000 2.390 468 F HA 0.678 5.206 4.527 0.002 0.000 0.361 468 F C -1.160 174.704 175.800 0.107 0.000 1.124 468 F CA -0.502 57.540 58.000 0.070 0.000 1.149 468 F CB 0.364 39.393 39.000 0.049 0.000 1.160 468 F HN 0.485 nan 8.300 nan 0.000 0.501 469 L N 4.696 125.782 121.223 -0.229 0.000 2.330 469 L HA 0.497 4.838 4.340 0.001 0.000 0.271 469 L C -0.186 176.495 176.870 -0.315 0.000 1.013 469 L CA -0.919 53.862 54.840 -0.098 0.000 0.816 469 L CB 2.003 44.027 42.059 -0.058 0.000 1.287 469 L HN 0.478 nan 8.230 nan 0.000 0.435 470 S N 1.680 117.350 115.700 -0.049 0.000 2.503 470 S HA 0.618 5.089 4.470 0.001 0.000 0.301 470 S C -2.511 172.090 174.600 0.001 0.000 1.087 470 S CA -1.472 56.713 58.200 -0.026 0.000 1.042 470 S CB 1.785 65.080 63.200 0.158 0.000 1.043 470 S HN 0.231 nan 8.310 nan 0.000 0.489 471 P HA 0.441 nan 4.420 nan 0.000 0.270 471 P C -1.259 175.846 177.300 -0.324 0.000 1.227 471 P CA -0.083 62.916 63.100 -0.168 0.000 0.788 471 P CB 0.527 32.096 31.700 -0.218 0.000 0.926 472 A N 0.506 123.095 122.820 -0.386 0.000 2.601 472 A HA 0.651 4.972 4.320 0.001 0.000 0.291 472 A C -1.758 175.548 177.584 -0.463 0.000 1.075 472 A CA -0.504 51.242 52.037 -0.484 0.000 0.671 472 A CB 0.569 19.174 19.000 -0.659 0.000 1.277 472 A HN 0.312 nan 8.150 nan 0.000 0.417 473 F N 0.955 120.783 119.950 -0.204 0.000 2.415 473 F HA 0.653 5.181 4.527 0.001 0.000 0.348 473 F C 0.942 176.683 175.800 -0.097 0.000 1.119 473 F CA 0.021 57.937 58.000 -0.141 0.000 1.069 473 F CB 1.756 40.607 39.000 -0.248 0.000 1.124 473 F HN 0.506 nan 8.300 nan 0.000 0.472 474 R N 2.135 122.734 120.500 0.165 0.000 2.803 474 R HA 0.440 4.781 4.340 0.001 0.000 0.276 474 R C -1.310 175.070 176.300 0.134 0.000 0.978 474 R CA -1.097 55.083 56.100 0.133 0.000 0.939 474 R CB 1.869 32.287 30.300 0.196 0.000 1.179 474 R HN 0.585 nan 8.270 nan 0.000 0.472 475 Y N 1.475 121.890 120.300 0.192 0.000 2.336 475 Y HA 0.093 4.644 4.550 0.001 0.000 0.331 475 Y C 0.678 176.622 175.900 0.072 0.000 1.211 475 Y CA 0.000 58.205 58.100 0.175 0.000 1.346 475 Y CB 1.189 39.839 38.460 0.317 0.000 1.271 475 Y HN 0.446 nan 8.280 nan 0.000 0.538 476 Q N 3.028 122.942 119.800 0.189 0.000 2.456 476 Q HA 0.560 4.900 4.340 0.001 0.000 0.283 476 Q C -3.037 172.888 176.000 -0.125 0.000 1.084 476 Q CA -2.376 53.437 55.803 0.017 0.000 0.801 476 Q CB 2.083 30.833 28.738 0.019 0.000 1.434 476 Q HN 0.333 nan 8.270 nan 0.000 0.419 477 P HA 0.105 nan 4.420 nan 0.000 0.271 477 P C -0.803 176.236 177.300 -0.435 0.000 1.218 477 P CA -0.087 62.824 63.100 -0.315 0.000 0.780 477 P CB 0.581 32.120 31.700 -0.268 0.000 0.901 478 D N 3.478 123.480 120.400 -0.664 0.000 2.455 478 D HA 0.005 4.646 4.640 0.001 0.000 0.241 478 D C -0.925 174.738 176.300 -1.062 0.000 1.138 478 D CA -0.780 52.534 54.000 -1.143 0.000 0.877 478 D CB 0.620 40.232 40.800 -1.981 0.000 1.187 478 D HN 0.322 nan 8.370 nan 0.000 0.451 479 P HA -0.112 nan 4.420 nan 0.000 0.221 479 P C 0.339 177.300 177.300 -0.565 0.000 1.145 479 P CA 0.951 63.636 63.100 -0.692 0.000 0.795 479 P CB 0.101 31.351 31.700 -0.750 0.000 0.775 480 W N 0.000 120.905 121.300 -0.658 0.000 2.388 480 W HA 0.000 4.661 4.660 0.001 0.000 0.303 480 W CA 0.000 57.111 57.345 -0.390 0.000 1.226 480 W CB 0.000 29.225 29.460 -0.392 0.000 1.126 480 W HN 0.000 nan 8.180 nan 0.000 0.535