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 2z9l_1_B DATA FIRST_RESID 1 DATA SEQUENCE SGFRKMAFPS GKVEGCMVQV TCGTTTLNGL WLDDTVYCPR HVICTAEDML DATA SEQUENCE NPNYEDLLIR KSNHSFLVQA GNVQLRVIGH SMQNCLLRLK VDTSNPKTPK DATA SEQUENCE YKFVRIQPGQ TFSVLACYNG SPSGVYQCAM RPNHTIKGSF LNGSCGSVGF DATA SEQUENCE NIDYDCVSFC YMHHMELPTG VHAGTDLEGK FYGPFVDRQT AQAAGTDTTI DATA SEQUENCE TLNVLAWLYA AVINGDRWFL NRFTTTLNDF NLVAMKYNYE PLTQDHVDIL DATA SEQUENCE GPLSAQTGIA VLDMCAALKE LLQNGMNGRT ILGSTILEDE FTPFDVVRQC DATA SEQUENCE S 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.626 174.600 0.043 0.000 1.055 1 S CA 0.000 58.218 58.200 0.029 0.000 1.107 1 S CB 0.000 63.211 63.200 0.019 0.000 0.593 2 G N 0.040 108.878 108.800 0.062 0.000 2.675 2 G HA2 0.270 4.231 3.960 0.000 0.000 0.686 2 G HA3 0.270 4.231 3.960 0.000 0.000 0.686 2 G C -1.579 173.410 174.900 0.147 0.000 1.215 2 G CA -0.636 44.511 45.100 0.080 0.000 0.777 2 G HN 1.221 nan 8.290 nan 0.000 0.638 3 F N 2.349 122.278 119.950 -0.036 0.000 2.573 3 F HA 0.823 5.350 4.527 0.000 0.000 0.316 3 F C -0.068 175.732 175.800 0.001 0.000 1.148 3 F CA -0.959 57.002 58.000 -0.065 0.000 0.940 3 F CB 1.687 40.596 39.000 -0.150 0.000 1.214 3 F HN 0.623 nan 8.300 nan 0.000 0.448 4 R N 3.425 123.642 120.500 -0.471 0.000 2.771 4 R HA 0.298 4.639 4.340 0.000 0.000 0.274 4 R C -1.220 175.013 176.300 -0.111 0.000 0.987 4 R CA -1.258 54.734 56.100 -0.179 0.000 0.908 4 R CB 2.366 32.607 30.300 -0.098 0.000 1.213 4 R HN 0.683 nan 8.270 nan 0.000 0.468 5 K N 3.500 123.970 120.400 0.116 0.000 2.338 5 K HA 0.186 4.507 4.320 0.000 0.000 0.290 5 K C -0.186 176.380 176.600 -0.057 0.000 1.069 5 K CA 0.124 56.462 56.287 0.086 0.000 0.941 5 K CB 0.236 32.718 32.500 -0.030 0.000 1.023 5 K HN 0.502 nan 8.250 nan 0.000 0.477 6 M N 2.309 121.850 119.600 -0.099 0.000 2.591 6 M HA 0.684 5.164 4.480 0.000 0.000 0.306 6 M C -1.196 174.983 176.300 -0.202 0.000 1.190 6 M CA -0.837 54.383 55.300 -0.134 0.000 0.889 6 M CB 2.284 34.803 32.600 -0.136 0.000 1.728 6 M HN 0.410 nan 8.290 nan 0.000 0.458 7 A N 1.630 124.354 122.820 -0.161 0.000 2.299 7 A HA 0.858 5.178 4.320 0.000 0.000 0.332 7 A C -1.142 176.352 177.584 -0.150 0.000 1.131 7 A CA -0.647 51.288 52.037 -0.170 0.000 0.844 7 A CB 0.682 19.636 19.000 -0.075 0.000 1.251 7 A HN 0.755 nan 8.150 nan 0.000 0.486 8 F N 0.431 120.351 119.950 -0.049 0.000 2.410 8 F HA 0.392 4.919 4.527 0.000 0.000 0.334 8 F C -1.737 174.154 175.800 0.152 0.000 1.134 8 F CA -1.383 56.651 58.000 0.057 0.000 1.227 8 F CB 0.345 39.391 39.000 0.076 0.000 1.194 8 F HN 0.270 nan 8.300 nan 0.000 0.571 9 P HA 0.017 nan 4.420 nan 0.000 0.263 9 P C 0.185 177.664 177.300 0.298 0.000 1.195 9 P CA 0.250 63.498 63.100 0.248 0.000 0.762 9 P CB 0.636 32.446 31.700 0.183 0.000 0.799 10 S N 1.666 117.513 115.700 0.245 0.000 2.527 10 S HA -0.016 4.454 4.470 0.000 0.000 0.222 10 S C 2.130 176.733 174.600 0.006 0.000 0.985 10 S CA 0.585 58.889 58.200 0.174 0.000 0.921 10 S CB -1.017 62.301 63.200 0.197 0.000 0.772 10 S HN 0.488 nan 8.310 nan 0.000 0.529 11 G N 2.535 111.356 108.800 0.034 0.000 2.505 11 G HA2 -0.260 3.700 3.960 0.000 0.000 0.220 11 G HA3 -0.260 3.700 3.960 0.000 0.000 0.220 11 G C 1.506 176.384 174.900 -0.037 0.000 1.145 11 G CA 0.955 46.058 45.100 0.006 0.000 0.761 11 G HN 0.578 nan 8.290 nan 0.000 0.571 12 K N -0.247 120.114 120.400 -0.064 0.000 2.209 12 K HA 0.024 4.344 4.320 0.000 0.000 0.204 12 K C 2.475 178.997 176.600 -0.130 0.000 1.048 12 K CA 0.911 57.145 56.287 -0.088 0.000 0.940 12 K CB -0.027 32.417 32.500 -0.094 0.000 0.729 12 K HN 0.316 nan 8.250 nan 0.000 0.451 13 V N 1.059 120.829 119.914 -0.239 0.000 2.599 13 V HA -0.122 3.999 4.120 0.000 0.000 0.245 13 V C 1.813 177.850 176.094 -0.095 0.000 1.046 13 V CA 1.212 63.375 62.300 -0.228 0.000 1.065 13 V CB -0.284 31.186 31.823 -0.588 0.000 0.703 13 V HN 0.258 nan 8.190 nan 0.000 0.464 14 E N 1.101 121.257 120.200 -0.073 0.000 2.086 14 E HA -0.236 4.114 4.350 0.000 0.000 0.200 14 E C 2.139 178.743 176.600 0.005 0.000 1.012 14 E CA 1.536 57.929 56.400 -0.011 0.000 0.812 14 E CB -0.500 29.205 29.700 0.008 0.000 0.743 14 E HN 0.625 nan 8.360 nan 0.000 0.453 15 G N -0.422 108.371 108.800 -0.010 0.000 2.708 15 G HA2 -0.173 3.788 3.960 0.000 0.000 0.210 15 G HA3 -0.173 3.788 3.960 0.000 0.000 0.210 15 G C 0.990 175.882 174.900 -0.014 0.000 1.141 15 G CA 0.454 45.550 45.100 -0.008 0.000 0.788 15 G HN 0.282 nan 8.290 nan 0.000 0.531 16 C N 0.098 119.400 119.300 0.002 0.000 3.336 16 C HA 0.438 4.899 4.460 0.000 0.000 0.291 16 C C 0.580 175.628 174.990 0.096 0.000 1.363 16 C CA -0.863 58.165 59.018 0.017 0.000 1.737 16 C CB -0.546 27.168 27.740 -0.043 0.000 2.274 16 C HN 0.260 nan 8.230 nan 0.000 0.663 17 M N 2.422 122.068 119.600 0.077 0.000 2.211 17 M HA 0.483 4.963 4.480 0.000 0.000 0.356 17 M C -0.026 176.332 176.300 0.097 0.000 1.216 17 M CA 0.404 55.743 55.300 0.066 0.000 1.134 17 M CB 0.515 33.138 32.600 0.037 0.000 1.564 17 M HN 0.223 nan 8.290 nan 0.000 0.463 18 V N 1.042 120.988 119.914 0.054 0.000 3.182 18 V HA 0.653 4.773 4.120 0.000 0.000 0.308 18 V C -1.053 175.026 176.094 -0.024 0.000 1.240 18 V CA -1.064 61.243 62.300 0.011 0.000 1.063 18 V CB 2.086 33.874 31.823 -0.058 0.000 1.076 18 V HN 0.861 nan 8.190 nan 0.000 0.446 19 Q N 0.375 120.149 119.800 -0.042 0.000 2.282 19 Q HA 0.770 5.110 4.340 0.000 0.000 0.260 19 Q C -1.688 174.279 176.000 -0.055 0.000 0.964 19 Q CA -0.641 55.141 55.803 -0.036 0.000 0.880 19 Q CB 2.078 30.806 28.738 -0.017 0.000 1.286 19 Q HN 0.806 nan 8.270 nan 0.000 0.445 20 V N 3.149 123.036 119.914 -0.046 0.000 2.531 20 V HA 0.501 4.621 4.120 0.000 0.000 0.301 20 V C -0.643 175.448 176.094 -0.006 0.000 1.034 20 V CA -0.631 61.651 62.300 -0.031 0.000 0.865 20 V CB 1.973 33.767 31.823 -0.049 0.000 0.995 20 V HN 0.862 nan 8.190 nan 0.000 0.424 21 T N 3.128 117.689 114.554 0.011 0.000 2.876 21 T HA 0.537 4.887 4.350 0.000 0.000 0.289 21 T C -0.882 173.802 174.700 -0.026 0.000 1.014 21 T CA -0.368 61.729 62.100 -0.005 0.000 0.986 21 T CB 1.565 70.425 68.868 -0.013 0.000 1.021 21 T HN 0.673 nan 8.240 nan 0.000 0.458 22 C N 2.865 122.130 119.300 -0.059 0.000 2.522 22 C HA 0.753 5.213 4.460 0.000 0.000 0.344 22 C C 1.354 176.287 174.990 -0.095 0.000 1.104 22 C CA 0.293 59.226 59.018 -0.142 0.000 1.317 22 C CB -0.047 27.591 27.740 -0.169 0.000 1.896 22 C HN 1.307 nan 8.230 nan 0.000 0.443 23 G N 3.716 112.458 108.800 -0.096 0.000 2.629 23 G HA2 -0.355 3.606 3.960 0.000 0.000 0.313 23 G HA3 -0.355 3.606 3.960 0.000 0.000 0.313 23 G C 1.164 176.042 174.900 -0.036 0.000 1.217 23 G CA 1.154 46.218 45.100 -0.061 0.000 0.994 23 G HN 0.944 nan 8.290 nan 0.000 0.549 24 T N 0.805 115.346 114.554 -0.022 0.000 3.081 24 T HA 0.364 4.714 4.350 0.000 0.000 0.250 24 T C 1.039 175.742 174.700 0.004 0.000 1.100 24 T CA 1.731 63.827 62.100 -0.007 0.000 1.038 24 T CB -0.423 68.444 68.868 -0.001 0.000 0.962 24 T HN 0.703 nan 8.240 nan 0.000 0.516 25 T N 2.272 116.828 114.554 0.002 0.000 2.817 25 T HA 0.504 4.854 4.350 0.000 0.000 0.293 25 T C -0.451 174.252 174.700 0.005 0.000 0.964 25 T CA -0.241 61.868 62.100 0.016 0.000 1.085 25 T CB 1.424 70.308 68.868 0.027 0.000 0.921 25 T HN 0.072 nan 8.240 nan 0.000 0.502 26 T N 4.239 118.802 114.554 0.015 0.000 2.886 26 T HA 0.691 5.041 4.350 0.000 0.000 0.292 26 T C -0.932 173.772 174.700 0.006 0.000 1.012 26 T CA -0.717 61.387 62.100 0.008 0.000 0.982 26 T CB 0.979 69.859 68.868 0.020 0.000 1.018 26 T HN 0.517 nan 8.240 nan 0.000 0.451 27 L N 0.652 121.859 121.223 -0.026 0.000 2.669 27 L HA 0.726 5.066 4.340 0.000 0.000 0.255 27 L C -0.784 176.045 176.870 -0.068 0.000 1.123 27 L CA -1.178 53.632 54.840 -0.051 0.000 0.941 27 L CB 0.578 42.565 42.059 -0.120 0.000 1.552 27 L HN 0.314 nan 8.230 nan 0.000 0.394 28 N N -0.283 118.359 118.700 -0.096 0.000 2.515 28 N HA 0.671 5.411 4.740 0.000 0.000 0.279 28 N C -0.428 175.014 175.510 -0.114 0.000 1.164 28 N CA 0.205 53.201 53.050 -0.090 0.000 0.982 28 N CB 1.664 40.096 38.487 -0.092 0.000 1.170 28 N HN 0.999 nan 8.380 nan 0.000 0.474 29 G N -0.062 108.688 108.800 -0.084 0.000 2.563 29 G HA2 0.518 4.479 3.960 0.000 0.000 0.302 29 G HA3 0.518 4.479 3.960 0.000 0.000 0.302 29 G C -1.534 173.340 174.900 -0.042 0.000 1.301 29 G CA -0.433 44.617 45.100 -0.084 0.000 0.965 29 G HN 0.376 nan 8.290 nan 0.000 0.480 30 L N 1.247 122.452 121.223 -0.029 0.000 2.280 30 L HA 0.717 5.057 4.340 0.000 0.000 0.287 30 L C -1.338 175.605 176.870 0.121 0.000 1.023 30 L CA -1.043 53.774 54.840 -0.039 0.000 0.819 30 L CB 1.155 43.068 42.059 -0.245 0.000 1.212 30 L HN 0.566 nan 8.230 nan 0.000 0.420 31 W N 7.952 129.196 121.300 -0.094 0.000 2.291 31 W HA 0.599 5.259 4.660 0.000 0.000 0.312 31 W C -1.865 174.607 176.519 -0.079 0.000 1.061 31 W CA -1.369 55.938 57.345 -0.064 0.000 1.296 31 W CB 0.712 30.137 29.460 -0.058 0.000 1.223 31 W HN 0.367 nan 8.180 nan 0.000 0.421 32 L N 8.428 129.684 121.223 0.054 0.000 2.349 32 L HA 0.278 4.618 4.340 0.000 0.000 0.278 32 L C 0.466 177.299 176.870 -0.060 0.000 0.996 32 L CA -0.762 53.979 54.840 -0.164 0.000 0.825 32 L CB 1.608 43.475 42.059 -0.319 0.000 1.243 32 L HN 0.450 nan 8.230 nan 0.000 0.412 33 D N 1.914 122.208 120.400 -0.177 0.000 3.845 33 D HA -0.276 4.364 4.640 0.000 0.000 0.144 33 D C 0.365 176.692 176.300 0.045 0.000 0.889 33 D CA 2.150 56.108 54.000 -0.071 0.000 1.096 33 D CB -0.281 40.549 40.800 0.049 0.000 0.515 33 D HN 0.928 nan 8.370 nan 0.000 0.525 34 D N 0.680 121.166 120.400 0.144 0.000 2.615 34 D HA 0.221 4.862 4.640 0.000 0.000 0.236 34 D C -0.429 175.974 176.300 0.171 0.000 1.233 34 D CA -0.002 54.137 54.000 0.232 0.000 0.829 34 D CB -0.005 40.873 40.800 0.130 0.000 1.024 34 D HN 0.136 nan 8.370 nan 0.000 0.490 35 T N -0.563 114.105 114.554 0.190 0.000 2.893 35 T HA 0.491 4.841 4.350 0.000 0.000 0.293 35 T C -0.639 174.069 174.700 0.012 0.000 1.027 35 T CA -0.638 61.453 62.100 -0.015 0.000 0.988 35 T CB 2.526 71.304 68.868 -0.151 0.000 1.043 35 T HN -0.129 nan 8.240 nan 0.000 0.461 36 V N 3.247 123.041 119.914 -0.200 0.000 2.448 36 V HA 0.486 4.606 4.120 0.000 0.000 0.295 36 V C -1.324 174.571 176.094 -0.331 0.000 1.025 36 V CA -0.847 61.363 62.300 -0.150 0.000 0.859 36 V CB 1.044 32.744 31.823 -0.205 0.000 0.988 36 V HN 0.832 nan 8.190 nan 0.000 0.431 37 Y N 3.758 123.978 120.300 -0.133 0.000 2.360 37 Y HA 0.712 5.262 4.550 0.000 0.000 0.337 37 Y C 0.409 176.178 175.900 -0.219 0.000 1.039 37 Y CA -0.556 57.435 58.100 -0.181 0.000 1.109 37 Y CB 1.858 40.185 38.460 -0.222 0.000 1.201 37 Y HN 0.884 nan 8.280 nan 0.000 0.458 38 C N 1.357 120.591 119.300 -0.109 0.000 3.306 38 C HA 0.625 5.086 4.460 0.000 0.000 0.335 38 C C -3.127 171.699 174.990 -0.273 0.000 1.382 38 C CA -2.674 56.221 59.018 -0.204 0.000 1.254 38 C CB 1.609 29.231 27.740 -0.197 0.000 1.555 38 C HN 0.505 nan 8.230 nan 0.000 0.463 39 P HA 0.240 nan 4.420 nan 0.000 0.268 39 P C 0.720 177.816 177.300 -0.340 0.000 1.204 39 P CA 0.077 62.849 63.100 -0.546 0.000 0.768 39 P CB 0.467 31.620 31.700 -0.912 0.000 0.842 40 R N 4.121 124.508 120.500 -0.189 0.000 2.189 40 R HA -0.154 4.187 4.340 0.000 0.000 0.223 40 R C 1.561 177.855 176.300 -0.011 0.000 1.092 40 R CA 1.242 57.263 56.100 -0.133 0.000 0.989 40 R CB -0.944 29.218 30.300 -0.231 0.000 0.876 40 R HN 0.611 nan 8.270 nan 0.000 0.457 41 H N 0.342 119.423 119.070 0.020 0.000 2.562 41 H HA 0.040 4.596 4.556 0.000 0.000 0.272 41 H C 1.433 176.842 175.328 0.135 0.000 1.019 41 H CA 0.687 56.872 56.048 0.228 0.000 1.160 41 H CB 0.098 29.997 29.762 0.229 0.000 1.334 41 H HN 0.178 nan 8.280 nan 0.000 0.611 42 V N 1.958 121.797 119.914 -0.125 0.000 2.970 42 V HA -0.130 3.990 4.120 0.000 0.000 0.260 42 V C 2.280 178.400 176.094 0.044 0.000 1.100 42 V CA 1.061 63.316 62.300 -0.075 0.000 1.122 42 V CB -0.589 31.178 31.823 -0.093 0.000 0.721 42 V HN 0.625 nan 8.190 nan 0.000 0.483 43 I N -0.326 120.311 120.570 0.113 0.000 2.703 43 I HA 0.082 4.253 4.170 0.000 0.000 0.259 43 I C 1.188 177.342 176.117 0.062 0.000 1.151 43 I CA 0.428 61.777 61.300 0.082 0.000 1.470 43 I CB -0.714 37.369 38.000 0.138 0.000 1.112 43 I HN 0.402 nan 8.210 nan 0.000 0.437 44 C N 2.604 121.979 119.300 0.125 0.000 2.405 44 C HA 0.665 5.126 4.460 0.000 0.000 0.365 44 C C 1.431 176.450 174.990 0.047 0.000 1.233 44 C CA -0.316 58.728 59.018 0.044 0.000 2.230 44 C CB 0.470 28.188 27.740 -0.037 0.000 2.443 44 C HN 0.552 nan 8.230 nan 0.000 0.556 45 T N 0.596 115.154 114.554 0.007 0.000 2.889 45 T HA 0.458 4.808 4.350 0.000 0.000 0.340 45 T C 1.350 176.061 174.700 0.019 0.000 1.145 45 T CA 0.192 62.298 62.100 0.012 0.000 0.986 45 T CB -0.060 68.804 68.868 -0.007 0.000 1.461 45 T HN 1.166 nan 8.240 nan 0.000 0.541 46 A N -0.065 122.763 122.820 0.014 0.000 1.828 46 A HA -0.054 4.266 4.320 0.000 0.000 0.215 46 A C 2.298 179.881 177.584 -0.001 0.000 1.203 46 A CA 1.954 53.999 52.037 0.013 0.000 0.614 46 A CB -1.496 17.510 19.000 0.011 0.000 0.844 46 A HN 1.035 nan 8.150 nan 0.000 0.445 47 E N -0.163 120.031 120.200 -0.009 0.000 2.054 47 E HA -0.384 3.967 4.350 0.000 0.000 0.225 47 E C 1.556 178.138 176.600 -0.030 0.000 1.048 47 E CA 2.086 58.475 56.400 -0.018 0.000 0.899 47 E CB -0.465 29.222 29.700 -0.022 0.000 0.801 47 E HN 0.532 nan 8.360 nan 0.000 0.495 48 D N 0.091 120.464 120.400 -0.045 0.000 3.048 48 D HA -0.277 4.363 4.640 0.000 0.000 0.192 48 D C 1.827 178.075 176.300 -0.087 0.000 1.125 48 D CA 2.018 55.969 54.000 -0.082 0.000 0.878 48 D CB -0.592 40.148 40.800 -0.099 0.000 0.924 48 D HN 0.356 nan 8.370 nan 0.000 0.496 49 M N -0.200 119.371 119.600 -0.048 0.000 2.419 49 M HA -0.145 4.335 4.480 0.000 0.000 0.260 49 M C 2.220 178.505 176.300 -0.025 0.000 1.073 49 M CA 0.719 56.005 55.300 -0.024 0.000 1.056 49 M CB -0.914 31.683 32.600 -0.004 0.000 1.394 49 M HN 0.174 nan 8.290 nan 0.000 0.444 50 L N -0.409 120.796 121.223 -0.031 0.000 2.450 50 L HA -0.140 4.200 4.340 0.000 0.000 0.224 50 L C 0.290 177.144 176.870 -0.026 0.000 1.149 50 L CA 0.578 55.404 54.840 -0.024 0.000 0.816 50 L CB -0.528 41.517 42.059 -0.023 0.000 0.932 50 L HN 0.493 nan 8.230 nan 0.000 0.449 51 N N -1.423 117.251 118.700 -0.042 0.000 4.012 51 N HA -0.029 4.711 4.740 0.000 0.000 0.105 51 N C -2.781 172.674 175.510 -0.091 0.000 0.911 51 N CA -0.378 52.646 53.050 -0.043 0.000 2.760 51 N CB -0.006 38.465 38.487 -0.027 0.000 1.407 51 N HN -0.152 nan 8.380 nan 0.000 0.794 52 P HA 0.260 nan 4.420 nan 0.000 0.276 52 P C -1.010 176.105 177.300 -0.308 0.000 1.252 52 P CA -0.312 62.608 63.100 -0.300 0.000 0.802 52 P CB 0.824 32.209 31.700 -0.525 0.000 1.035 53 N N 1.092 119.645 118.700 -0.245 0.000 2.511 53 N HA 0.104 4.844 4.740 0.000 0.000 0.249 53 N C 0.458 175.889 175.510 -0.132 0.000 0.971 53 N CA -0.337 52.645 53.050 -0.115 0.000 0.938 53 N CB 0.407 38.868 38.487 -0.044 0.000 1.131 53 N HN 0.247 nan 8.380 nan 0.000 0.505 54 Y N 1.870 122.193 120.300 0.039 0.000 2.242 54 Y HA -0.149 4.401 4.550 0.000 0.000 0.291 54 Y C 2.324 178.251 175.900 0.045 0.000 1.137 54 Y CA 1.257 59.386 58.100 0.049 0.000 1.181 54 Y CB 0.140 38.639 38.460 0.065 0.000 0.989 54 Y HN 0.644 nan 8.280 nan 0.000 0.527 55 E N 0.577 120.882 120.200 0.175 0.000 2.058 55 E HA -0.276 4.075 4.350 0.000 0.000 0.194 55 E C 1.613 178.260 176.600 0.078 0.000 0.997 55 E CA 1.827 58.294 56.400 0.113 0.000 0.801 55 E CB -0.188 29.560 29.700 0.080 0.000 0.746 55 E HN 0.354 nan 8.360 nan 0.000 0.450 56 D N -0.190 120.239 120.400 0.047 0.000 2.117 56 D HA -0.130 4.510 4.640 0.000 0.000 0.197 56 D C 2.004 178.316 176.300 0.019 0.000 0.987 56 D CA 1.022 55.035 54.000 0.021 0.000 0.829 56 D CB -0.021 40.777 40.800 -0.003 0.000 0.961 56 D HN 0.233 nan 8.370 nan 0.000 0.460 57 L N -0.364 120.869 121.223 0.017 0.000 2.072 57 L HA -0.102 4.238 4.340 0.000 0.000 0.205 57 L C 2.296 179.198 176.870 0.054 0.000 1.079 57 L CA 0.371 55.219 54.840 0.014 0.000 0.752 57 L CB -0.376 41.678 42.059 -0.009 0.000 0.906 57 L HN 0.144 nan 8.230 nan 0.000 0.436 58 L N 0.320 121.609 121.223 0.110 0.000 2.017 58 L HA -0.185 4.155 4.340 0.000 0.000 0.208 58 L C 2.282 179.229 176.870 0.128 0.000 1.073 58 L CA 1.550 56.475 54.840 0.141 0.000 0.745 58 L CB -0.432 41.737 42.059 0.183 0.000 0.894 58 L HN 0.136 nan 8.230 nan 0.000 0.432 59 I N -0.712 119.919 120.570 0.102 0.000 2.657 59 I HA -0.287 3.883 4.170 0.000 0.000 0.261 59 I C 1.927 178.079 176.117 0.059 0.000 1.212 59 I CA 1.047 62.400 61.300 0.088 0.000 1.453 59 I CB -0.169 37.865 38.000 0.057 0.000 1.092 59 I HN 0.314 nan 8.210 nan 0.000 0.452 60 R N 0.293 120.812 120.500 0.031 0.000 2.310 60 R HA 0.139 4.479 4.340 0.000 0.000 0.202 60 R C 0.435 176.713 176.300 -0.038 0.000 0.933 60 R CA 0.090 56.188 56.100 -0.002 0.000 1.054 60 R CB 0.088 30.379 30.300 -0.015 0.000 0.985 60 R HN 0.243 nan 8.270 nan 0.000 0.489 61 K N 1.082 121.457 120.400 -0.041 0.000 2.123 61 K HA 0.252 4.572 4.320 0.000 0.000 0.248 61 K C -0.082 176.442 176.600 -0.127 0.000 0.969 61 K CA -0.311 55.882 56.287 -0.155 0.000 0.882 61 K CB 1.760 34.116 32.500 -0.240 0.000 1.080 61 K HN -0.018 nan 8.250 nan 0.000 0.441 62 S N 0.288 115.823 115.700 -0.275 0.000 2.638 62 S HA 0.273 4.744 4.470 0.000 0.000 0.302 62 S C 0.596 175.076 174.600 -0.200 0.000 1.096 62 S CA -0.855 57.209 58.200 -0.226 0.000 0.953 62 S CB 1.254 64.148 63.200 -0.510 0.000 1.107 62 S HN 0.528 nan 8.310 nan 0.000 0.503 63 N N 1.755 120.472 118.700 0.027 0.000 2.137 63 N HA -0.178 4.562 4.740 0.000 0.000 0.190 63 N C 1.658 177.225 175.510 0.096 0.000 1.017 63 N CA 1.991 55.138 53.050 0.163 0.000 0.859 63 N CB -0.927 37.661 38.487 0.168 0.000 1.002 63 N HN 0.929 nan 8.380 nan 0.000 0.428 64 H N -1.166 117.942 119.070 0.063 0.000 2.559 64 H HA 0.231 4.787 4.556 0.000 0.000 0.273 64 H C 0.949 176.238 175.328 -0.064 0.000 1.000 64 H CA 0.623 56.677 56.048 0.009 0.000 1.195 64 H CB -0.039 29.720 29.762 -0.006 0.000 1.368 64 H HN 0.007 nan 8.280 nan 0.000 0.592 65 S N 0.357 115.891 115.700 -0.276 0.000 2.481 65 S HA 0.023 4.494 4.470 0.000 0.000 0.231 65 S C 0.036 174.328 174.600 -0.513 0.000 0.996 65 S CA 0.275 58.234 58.200 -0.401 0.000 0.942 65 S CB -0.203 62.588 63.200 -0.681 0.000 0.768 65 S HN 0.233 nan 8.310 nan 0.000 0.520 66 F N 1.533 121.417 119.950 -0.111 0.000 2.405 66 F HA 0.474 5.001 4.527 0.000 0.000 0.355 66 F C -0.205 175.547 175.800 -0.080 0.000 1.121 66 F CA -1.191 56.744 58.000 -0.108 0.000 1.112 66 F CB 0.816 39.730 39.000 -0.143 0.000 1.126 66 F HN -0.058 nan 8.300 nan 0.000 0.481 67 L N 5.942 127.202 121.223 0.062 0.000 2.272 67 L HA 0.555 4.895 4.340 0.000 0.000 0.284 67 L C -0.940 175.926 176.870 -0.006 0.000 1.045 67 L CA -0.363 54.487 54.840 0.015 0.000 0.842 67 L CB 0.431 42.484 42.059 -0.010 0.000 1.224 67 L HN 0.336 nan 8.230 nan 0.000 0.430 68 V N 5.227 125.115 119.914 -0.042 0.000 2.439 68 V HA 0.502 4.622 4.120 0.000 0.000 0.282 68 V C -0.116 175.897 176.094 -0.136 0.000 1.039 68 V CA -0.463 61.770 62.300 -0.112 0.000 0.913 68 V CB 1.378 33.086 31.823 -0.192 0.000 0.983 68 V HN 0.745 nan 8.190 nan 0.000 0.460 69 Q N 2.694 122.418 119.800 -0.128 0.000 2.285 69 Q HA 0.695 5.035 4.340 0.000 0.000 0.269 69 Q C -0.774 175.162 176.000 -0.107 0.000 1.030 69 Q CA -0.580 55.158 55.803 -0.109 0.000 0.788 69 Q CB 2.484 31.189 28.738 -0.055 0.000 1.266 69 Q HN 0.871 nan 8.270 nan 0.000 0.438 70 A N 2.201 124.952 122.820 -0.116 0.000 2.341 70 A HA 0.764 5.085 4.320 0.000 0.000 0.326 70 A C 0.708 178.299 177.584 0.011 0.000 1.402 70 A CA 0.499 52.515 52.037 -0.036 0.000 0.957 70 A CB -0.149 18.833 19.000 -0.029 0.000 1.151 70 A HN 0.959 nan 8.150 nan 0.000 0.533 71 G N 2.874 111.689 108.800 0.026 0.000 2.527 71 G HA2 -0.321 3.640 3.960 0.000 0.000 0.262 71 G HA3 -0.321 3.640 3.960 0.000 0.000 0.262 71 G C 0.677 175.585 174.900 0.013 0.000 1.153 71 G CA 0.551 45.669 45.100 0.030 0.000 0.954 71 G HN 1.562 nan 8.290 nan 0.000 0.552 72 N N 0.276 118.982 118.700 0.010 0.000 2.184 72 N HA 0.226 4.966 4.740 0.000 0.000 0.206 72 N C 0.542 176.048 175.510 -0.008 0.000 1.151 72 N CA 0.927 53.978 53.050 0.002 0.000 0.878 72 N CB 0.443 38.935 38.487 0.008 0.000 1.014 72 N HN 0.744 nan 8.380 nan 0.000 0.512 73 V N 2.049 121.957 119.914 -0.009 0.000 2.455 73 V HA 0.111 4.231 4.120 0.000 0.000 0.273 73 V C 0.555 176.617 176.094 -0.053 0.000 1.045 73 V CA -0.526 61.762 62.300 -0.020 0.000 0.976 73 V CB 0.830 32.651 31.823 -0.003 0.000 0.993 73 V HN 0.327 nan 8.190 nan 0.000 0.475 74 Q N 3.832 123.600 119.800 -0.052 0.000 2.314 74 Q HA 0.378 4.718 4.340 0.000 0.000 0.258 74 Q C -1.406 174.530 176.000 -0.107 0.000 0.954 74 Q CA -0.659 55.099 55.803 -0.075 0.000 0.890 74 Q CB 1.052 29.762 28.738 -0.047 0.000 1.210 74 Q HN 0.532 nan 8.270 nan 0.000 0.410 75 L N 3.816 124.941 121.223 -0.164 0.000 2.307 75 L HA 0.436 4.776 4.340 0.000 0.000 0.284 75 L C -0.068 176.721 176.870 -0.136 0.000 1.023 75 L CA -0.095 54.618 54.840 -0.210 0.000 0.810 75 L CB 1.487 43.290 42.059 -0.427 0.000 1.231 75 L HN 0.628 nan 8.230 nan 0.000 0.423 76 R N 2.771 123.218 120.500 -0.089 0.000 2.267 76 R HA 0.461 4.801 4.340 0.000 0.000 0.319 76 R C -0.726 175.546 176.300 -0.047 0.000 1.067 76 R CA -0.401 55.674 56.100 -0.043 0.000 0.936 76 R CB 0.965 31.256 30.300 -0.016 0.000 1.006 76 R HN 0.518 nan 8.270 nan 0.000 0.452 77 V N 7.136 127.035 119.914 -0.025 0.000 2.432 77 V HA 0.254 4.374 4.120 0.000 0.000 0.275 77 V C 0.691 176.795 176.094 0.016 0.000 1.043 77 V CA -0.297 61.985 62.300 -0.030 0.000 0.925 77 V CB 0.935 32.730 31.823 -0.046 0.000 0.985 77 V HN 0.911 nan 8.190 nan 0.000 0.466 78 I N 3.620 124.190 120.570 0.001 0.000 3.976 78 I HA 0.784 4.954 4.170 0.000 0.000 0.337 78 I C 0.580 176.701 176.117 0.007 0.000 1.359 78 I CA 0.110 61.419 61.300 0.015 0.000 1.098 78 I CB 0.086 38.089 38.000 0.005 0.000 1.027 78 I HN 0.787 nan 8.210 nan 0.000 0.394 79 G N 1.569 110.370 108.800 0.002 0.000 2.579 79 G HA2 0.523 4.483 3.960 0.000 0.000 0.292 79 G HA3 0.523 4.483 3.960 0.000 0.000 0.292 79 G C -1.646 173.236 174.900 -0.030 0.000 1.484 79 G CA -0.479 44.598 45.100 -0.039 0.000 0.813 79 G HN 0.492 nan 8.290 nan 0.000 0.515 80 H N -1.697 117.293 119.070 -0.133 0.000 3.064 80 H HA 0.845 5.401 4.556 0.000 0.000 0.352 80 H C -0.806 174.442 175.328 -0.132 0.000 1.260 80 H CA -0.425 55.500 56.048 -0.206 0.000 1.160 80 H CB 1.602 31.185 29.762 -0.298 0.000 1.879 80 H HN 1.412 nan 8.280 nan 0.000 0.544 81 S N 1.841 117.512 115.700 -0.049 0.000 2.615 81 S HA 0.460 4.930 4.470 0.000 0.000 0.268 81 S C -1.032 173.553 174.600 -0.025 0.000 1.146 81 S CA -1.091 57.081 58.200 -0.047 0.000 0.818 81 S CB 2.293 65.442 63.200 -0.085 0.000 1.111 81 S HN 0.843 nan 8.310 nan 0.000 0.465 82 M N 1.624 121.222 119.600 -0.003 0.000 2.436 82 M HA 0.576 5.057 4.480 0.000 0.000 0.331 82 M C -1.355 174.939 176.300 -0.010 0.000 1.135 82 M CA -0.261 55.035 55.300 -0.006 0.000 0.987 82 M CB 1.871 34.486 32.600 0.026 0.000 1.687 82 M HN 0.899 nan 8.290 nan 0.000 0.445 83 Q N 4.790 124.579 119.800 -0.017 0.000 2.414 83 Q HA 0.319 4.659 4.340 0.000 0.000 0.256 83 Q C -0.610 175.375 176.000 -0.025 0.000 0.974 83 Q CA -0.516 55.283 55.803 -0.007 0.000 0.723 83 Q CB 0.831 29.580 28.738 0.017 0.000 1.281 83 Q HN 1.077 nan 8.270 nan 0.000 0.470 84 N N 1.504 120.190 118.700 -0.024 0.000 1.241 84 N HA -0.279 4.461 4.740 0.000 0.000 0.135 84 N C 0.006 175.483 175.510 -0.056 0.000 0.723 84 N CA 1.974 55.004 53.050 -0.034 0.000 0.950 84 N CB -1.286 37.170 38.487 -0.051 0.000 1.215 84 N HN 0.735 nan 8.380 nan 0.000 0.520 85 C N 1.013 120.267 119.300 -0.078 0.000 2.525 85 C HA 0.488 4.948 4.460 0.000 0.000 0.313 85 C C 0.337 175.314 174.990 -0.021 0.000 1.311 85 C CA -0.347 58.623 59.018 -0.080 0.000 1.725 85 C CB -1.587 26.111 27.740 -0.070 0.000 1.926 85 C HN 0.217 nan 8.230 nan 0.000 0.595 86 L N -0.074 121.117 121.223 -0.053 0.000 2.323 86 L HA 0.631 4.971 4.340 0.000 0.000 0.265 86 L C -0.330 176.494 176.870 -0.077 0.000 1.012 86 L CA -0.562 54.245 54.840 -0.055 0.000 0.820 86 L CB 1.193 43.232 42.059 -0.033 0.000 1.334 86 L HN 0.058 nan 8.230 nan 0.000 0.427 87 L N 1.756 122.911 121.223 -0.113 0.000 2.325 87 L HA 0.606 4.946 4.340 0.000 0.000 0.278 87 L C -0.572 176.169 176.870 -0.215 0.000 1.023 87 L CA -0.564 54.186 54.840 -0.151 0.000 0.811 87 L CB 1.214 43.160 42.059 -0.188 0.000 1.249 87 L HN 0.538 nan 8.230 nan 0.000 0.431 88 R N 5.299 125.650 120.500 -0.249 0.000 2.409 88 R HA 0.545 4.885 4.340 0.000 0.000 0.313 88 R C -1.528 174.567 176.300 -0.342 0.000 0.953 88 R CA -0.629 55.244 56.100 -0.379 0.000 0.849 88 R CB 1.387 31.498 30.300 -0.314 0.000 1.171 88 R HN 0.480 nan 8.270 nan 0.000 0.458 89 L N 2.959 123.950 121.223 -0.387 0.000 2.305 89 L HA 0.454 4.794 4.340 0.000 0.000 0.284 89 L C 0.065 176.790 176.870 -0.242 0.000 1.013 89 L CA -0.703 53.935 54.840 -0.338 0.000 0.819 89 L CB 1.595 43.400 42.059 -0.423 0.000 1.227 89 L HN 0.374 nan 8.230 nan 0.000 0.417 90 K N 3.527 123.828 120.400 -0.165 0.000 2.297 90 K HA 0.482 4.803 4.320 0.000 0.000 0.286 90 K C -0.549 176.002 176.600 -0.082 0.000 1.053 90 K CA -0.531 55.694 56.287 -0.102 0.000 0.940 90 K CB 1.131 33.589 32.500 -0.071 0.000 1.019 90 K HN 0.494 nan 8.250 nan 0.000 0.475 91 V N 1.098 120.978 119.914 -0.056 0.000 2.850 91 V HA 0.282 4.402 4.120 0.000 0.000 0.315 91 V C 0.646 176.743 176.094 0.005 0.000 1.064 91 V CA -0.600 61.662 62.300 -0.062 0.000 0.979 91 V CB 1.712 33.438 31.823 -0.163 0.000 1.039 91 V HN 0.933 nan 8.190 nan 0.000 0.452 92 D N 0.435 120.834 120.400 -0.001 0.000 2.336 92 D HA 0.045 4.685 4.640 0.000 0.000 0.229 92 D C 0.463 176.798 176.300 0.059 0.000 1.061 92 D CA 0.462 54.477 54.000 0.025 0.000 0.875 92 D CB 0.532 41.340 40.800 0.013 0.000 0.904 92 D HN 0.660 nan 8.370 nan 0.000 0.525 93 T N -0.893 113.725 114.554 0.106 0.000 2.916 93 T HA 0.358 4.708 4.350 0.000 0.000 0.305 93 T C -1.514 173.399 174.700 0.354 0.000 1.119 93 T CA -0.602 61.609 62.100 0.186 0.000 1.008 93 T CB 1.943 70.918 68.868 0.178 0.000 1.129 93 T HN -0.013 nan 8.240 nan 0.000 0.480 94 S N 2.610 118.466 115.700 0.260 0.000 2.578 94 S HA 0.469 4.939 4.470 0.000 0.000 0.283 94 S C -0.226 174.344 174.600 -0.050 0.000 1.195 94 S CA -0.641 57.657 58.200 0.163 0.000 1.050 94 S CB 0.589 63.816 63.200 0.044 0.000 1.012 94 S HN 0.712 nan 8.310 nan 0.000 0.511 95 N N 4.089 122.432 118.700 -0.595 0.000 2.415 95 N HA 0.332 5.072 4.740 0.000 0.000 0.246 95 N C -1.432 173.757 175.510 -0.535 0.000 1.078 95 N CA -2.204 50.136 53.050 -1.184 0.000 0.942 95 N CB 1.318 38.492 38.487 -2.189 0.000 1.140 95 N HN 0.383 nan 8.380 nan 0.000 0.501 96 P HA -0.065 nan 4.420 nan 0.000 0.226 96 P C 0.124 177.326 177.300 -0.163 0.000 1.153 96 P CA 1.006 63.999 63.100 -0.178 0.000 0.777 96 P CB 0.403 32.041 31.700 -0.102 0.000 0.794 97 K N -0.519 119.750 120.400 -0.219 0.000 2.404 97 K HA 0.110 4.430 4.320 0.000 0.000 0.194 97 K C 0.302 176.814 176.600 -0.146 0.000 1.023 97 K CA 0.062 56.260 56.287 -0.148 0.000 1.094 97 K CB -0.196 32.229 32.500 -0.126 0.000 0.841 97 K HN 0.054 nan 8.250 nan 0.000 0.523 98 T N 4.694 119.129 114.554 -0.198 0.000 2.831 98 T HA 0.025 4.375 4.350 0.000 0.000 0.291 98 T C -1.855 172.833 174.700 -0.019 0.000 0.981 98 T CA -0.706 61.312 62.100 -0.137 0.000 1.174 98 T CB 0.413 69.192 68.868 -0.149 0.000 0.929 98 T HN 0.187 nan 8.240 nan 0.000 0.532 99 P HA 0.334 nan 4.420 nan 0.000 0.281 99 P C -0.357 177.050 177.300 0.179 0.000 1.281 99 P CA -0.885 62.256 63.100 0.068 0.000 0.811 99 P CB 0.995 32.716 31.700 0.036 0.000 1.154 100 K N 0.407 120.873 120.400 0.109 0.000 2.412 100 K HA 0.208 4.529 4.320 0.000 0.000 0.281 100 K C -0.298 176.392 176.600 0.149 0.000 1.027 100 K CA 0.478 56.812 56.287 0.078 0.000 0.989 100 K CB -0.065 32.442 32.500 0.012 0.000 0.935 100 K HN 0.564 nan 8.250 nan 0.000 0.475 101 Y N -0.393 119.894 120.300 -0.022 0.000 2.689 101 Y HA 0.523 5.073 4.550 0.000 0.000 0.333 101 Y C -1.457 174.421 175.900 -0.037 0.000 1.208 101 Y CA -1.396 56.702 58.100 -0.003 0.000 1.055 101 Y CB 1.241 39.818 38.460 0.195 0.000 1.304 101 Y HN 0.513 nan 8.280 nan 0.000 0.455 102 K N 0.934 121.413 120.400 0.131 0.000 2.555 102 K HA 0.555 4.875 4.320 0.000 0.000 0.279 102 K C -2.150 174.687 176.600 0.395 0.000 0.986 102 K CA -0.849 55.441 56.287 0.004 0.000 0.880 102 K CB 2.327 34.774 32.500 -0.089 0.000 1.474 102 K HN 0.710 nan 8.250 nan 0.000 0.433 103 F N 1.309 121.352 119.950 0.156 0.000 2.415 103 F HA 0.484 5.011 4.527 0.000 0.000 0.348 103 F C -0.229 175.606 175.800 0.060 0.000 1.119 103 F CA -1.307 56.768 58.000 0.126 0.000 1.069 103 F CB 2.134 41.167 39.000 0.055 0.000 1.124 103 F HN 0.033 nan 8.300 nan 0.000 0.472 104 V N 3.973 124.032 119.914 0.242 0.000 2.735 104 V HA 0.422 4.542 4.120 0.000 0.000 0.310 104 V C -0.516 175.657 176.094 0.131 0.000 1.061 104 V CA -0.959 61.424 62.300 0.137 0.000 0.913 104 V CB 2.364 34.239 31.823 0.087 0.000 1.005 104 V HN 0.682 nan 8.190 nan 0.000 0.428 105 R N 4.602 125.175 120.500 0.121 0.000 2.215 105 R HA 0.604 4.944 4.340 0.000 0.000 0.336 105 R C -0.247 176.193 176.300 0.234 0.000 0.996 105 R CA -0.460 55.749 56.100 0.182 0.000 0.847 105 R CB 0.775 31.117 30.300 0.071 0.000 1.127 105 R HN 0.809 nan 8.270 nan 0.000 0.465 106 I N 0.024 120.779 120.570 0.307 0.000 2.834 106 I HA 0.331 4.501 4.170 0.000 0.000 0.305 106 I C -0.269 175.974 176.117 0.210 0.000 1.008 106 I CA -0.922 60.478 61.300 0.167 0.000 1.273 106 I CB 1.134 39.161 38.000 0.045 0.000 1.432 106 I HN 0.383 nan 8.210 nan 0.000 0.557 107 Q N 2.290 122.167 119.800 0.128 0.000 2.214 107 Q HA 0.505 4.846 4.340 0.000 0.000 0.251 107 Q C -2.398 173.639 176.000 0.063 0.000 0.936 107 Q CA -1.877 54.004 55.803 0.130 0.000 0.894 107 Q CB 1.241 30.041 28.738 0.104 0.000 1.252 107 Q HN 0.451 nan 8.270 nan 0.000 0.448 108 P HA 0.024 nan 4.420 nan 0.000 0.266 108 P C 0.519 177.791 177.300 -0.047 0.000 1.195 108 P CA 1.172 64.221 63.100 -0.084 0.000 0.768 108 P CB 0.439 32.013 31.700 -0.210 0.000 0.838 109 G N 0.979 109.739 108.800 -0.065 0.000 2.258 109 G HA2 -0.206 3.754 3.960 0.000 0.000 0.233 109 G HA3 -0.206 3.754 3.960 0.000 0.000 0.233 109 G C 0.098 174.973 174.900 -0.041 0.000 1.006 109 G CA -0.379 44.684 45.100 -0.062 0.000 0.620 109 G HN 0.572 nan 8.290 nan 0.000 0.511 110 Q N 1.258 121.052 119.800 -0.011 0.000 2.312 110 Q HA 0.525 4.866 4.340 0.000 0.000 0.236 110 Q C 0.522 176.530 176.000 0.014 0.000 0.965 110 Q CA 0.603 56.414 55.803 0.014 0.000 0.894 110 Q CB 1.089 29.849 28.738 0.038 0.000 1.225 110 Q HN 0.550 nan 8.270 nan 0.000 0.478 111 T N -1.372 113.187 114.554 0.008 0.000 2.949 111 T HA 0.803 5.153 4.350 0.000 0.000 0.287 111 T C -0.503 174.243 174.700 0.076 0.000 1.034 111 T CA -0.746 61.303 62.100 -0.085 0.000 1.018 111 T CB 0.852 69.632 68.868 -0.146 0.000 1.135 111 T HN 0.550 nan 8.240 nan 0.000 0.532 112 F N -2.329 117.532 119.950 -0.150 0.000 2.744 112 F HA 0.695 5.222 4.527 0.000 0.000 0.311 112 F C -1.098 174.536 175.800 -0.277 0.000 1.144 112 F CA -1.266 56.629 58.000 -0.175 0.000 0.938 112 F CB 0.784 39.683 39.000 -0.169 0.000 1.292 112 F HN 0.568 nan 8.300 nan 0.000 0.444 113 S N 1.354 116.911 115.700 -0.239 0.000 2.525 113 S HA 0.714 5.185 4.470 0.000 0.000 0.278 113 S C -0.679 173.690 174.600 -0.385 0.000 1.234 113 S CA -0.677 57.228 58.200 -0.491 0.000 1.058 113 S CB 1.584 64.323 63.200 -0.769 0.000 0.983 113 S HN 0.562 nan 8.310 nan 0.000 0.495 114 V N 3.773 123.483 119.914 -0.341 0.000 2.459 114 V HA 0.411 4.531 4.120 0.000 0.000 0.295 114 V C -0.599 175.401 176.094 -0.157 0.000 1.029 114 V CA -0.724 61.459 62.300 -0.194 0.000 0.874 114 V CB 1.567 33.044 31.823 -0.577 0.000 0.985 114 V HN 0.704 nan 8.190 nan 0.000 0.438 115 L N 5.497 126.827 121.223 0.178 0.000 2.321 115 L HA 0.720 5.060 4.340 0.000 0.000 0.272 115 L C 0.630 177.570 176.870 0.116 0.000 1.050 115 L CA -0.128 54.806 54.840 0.157 0.000 0.893 115 L CB 0.629 42.818 42.059 0.217 0.000 1.272 115 L HN 0.738 nan 8.230 nan 0.000 0.435 116 A N 4.239 127.107 122.820 0.081 0.000 2.522 116 A HA 0.428 4.748 4.320 0.000 0.000 0.256 116 A C -0.038 177.554 177.584 0.013 0.000 1.086 116 A CA -0.026 52.095 52.037 0.140 0.000 0.763 116 A CB -0.455 18.666 19.000 0.202 0.000 1.024 116 A HN 0.778 nan 8.150 nan 0.000 0.502 117 C N 1.287 120.491 119.300 -0.161 0.000 2.848 117 C HA 0.842 5.302 4.460 0.000 0.000 0.317 117 C C -1.024 173.648 174.990 -0.530 0.000 1.260 117 C CA -0.551 58.361 59.018 -0.177 0.000 1.656 117 C CB 1.151 28.855 27.740 -0.059 0.000 2.174 117 C HN 0.793 nan 8.230 nan 0.000 0.479 118 Y N 0.999 121.353 120.300 0.089 0.000 2.441 118 Y HA 0.354 4.905 4.550 0.000 0.000 0.334 118 Y C 0.515 176.445 175.900 0.051 0.000 1.061 118 Y CA -0.697 57.448 58.100 0.074 0.000 1.032 118 Y CB 0.945 39.453 38.460 0.081 0.000 1.266 118 Y HN 0.807 nan 8.280 nan 0.000 0.441 119 N N 1.898 120.699 118.700 0.170 0.000 2.725 119 N HA -0.219 4.521 4.740 0.000 0.000 0.249 119 N C 1.063 176.612 175.510 0.066 0.000 1.103 119 N CA 1.553 54.664 53.050 0.101 0.000 0.707 119 N CB -0.998 37.554 38.487 0.108 0.000 1.043 119 N HN 1.306 nan 8.380 nan 0.000 0.553 120 G N -1.245 107.581 108.800 0.044 0.000 2.184 120 G HA2 -0.321 3.639 3.960 0.000 0.000 0.264 120 G HA3 -0.321 3.639 3.960 0.000 0.000 0.264 120 G C -0.016 174.914 174.900 0.049 0.000 0.975 120 G CA 0.850 45.967 45.100 0.029 0.000 0.642 120 G HN 0.872 nan 8.290 nan 0.000 0.536 121 S N 0.551 116.296 115.700 0.074 0.000 2.501 121 S HA 0.696 5.166 4.470 0.000 0.000 0.301 121 S C -2.699 171.961 174.600 0.100 0.000 1.096 121 S CA -1.422 56.829 58.200 0.085 0.000 1.063 121 S CB 1.822 65.079 63.200 0.094 0.000 1.042 121 S HN 0.018 nan 8.310 nan 0.000 0.494 122 P HA 0.113 nan 4.420 nan 0.000 0.261 122 P C -0.140 177.236 177.300 0.128 0.000 1.203 122 P CA 0.257 63.414 63.100 0.095 0.000 0.767 122 P CB 0.941 32.688 31.700 0.078 0.000 0.785 123 S N 2.678 118.474 115.700 0.160 0.000 2.506 123 S HA 0.410 4.880 4.470 0.000 0.000 0.230 123 S C 0.675 175.371 174.600 0.161 0.000 1.066 123 S CA 0.784 59.105 58.200 0.202 0.000 0.940 123 S CB -0.050 63.364 63.200 0.356 0.000 0.818 123 S HN 0.524 nan 8.310 nan 0.000 0.518 124 G N -0.065 108.829 108.800 0.157 0.000 2.547 124 G HA2 0.508 4.468 3.960 0.000 0.000 0.291 124 G HA3 0.508 4.468 3.960 0.000 0.000 0.291 124 G C -2.133 172.846 174.900 0.132 0.000 1.471 124 G CA -0.096 45.091 45.100 0.145 0.000 0.798 124 G HN 0.554 nan 8.290 nan 0.000 0.504 125 V N 0.993 120.980 119.914 0.122 0.000 2.656 125 V HA 0.924 5.044 4.120 0.000 0.000 0.307 125 V C -1.229 174.920 176.094 0.092 0.000 1.051 125 V CA -0.778 61.560 62.300 0.064 0.000 0.893 125 V CB 1.298 33.185 31.823 0.107 0.000 0.999 125 V HN 1.301 nan 8.190 nan 0.000 0.426 126 Y N 2.853 123.120 120.300 -0.056 0.000 2.655 126 Y HA 0.821 5.371 4.550 0.000 0.000 0.336 126 Y C -0.843 174.936 175.900 -0.202 0.000 1.154 126 Y CA -1.334 56.685 58.100 -0.135 0.000 1.055 126 Y CB 1.578 39.931 38.460 -0.178 0.000 1.295 126 Y HN 0.580 nan 8.280 nan 0.000 0.465 127 Q N 1.566 121.343 119.800 -0.038 0.000 2.282 127 Q HA 0.755 5.095 4.340 0.000 0.000 0.260 127 Q C -0.930 174.905 176.000 -0.274 0.000 0.964 127 Q CA -0.327 55.336 55.803 -0.232 0.000 0.880 127 Q CB 1.589 30.166 28.738 -0.268 0.000 1.286 127 Q HN 1.044 nan 8.270 nan 0.000 0.445 128 C N 0.511 119.513 119.300 -0.497 0.000 3.336 128 C HA 1.062 5.522 4.460 0.000 0.000 0.352 128 C C -0.872 173.710 174.990 -0.679 0.000 1.567 128 C CA -0.644 58.049 59.018 -0.542 0.000 1.328 128 C CB 0.953 28.410 27.740 -0.471 0.000 1.922 128 C HN 0.962 nan 8.230 nan 0.000 0.439 129 A N 0.622 123.133 122.820 -0.515 0.000 2.386 129 A HA 0.769 5.089 4.320 0.000 0.000 0.311 129 A C -0.595 176.828 177.584 -0.268 0.000 1.068 129 A CA -0.380 51.434 52.037 -0.372 0.000 0.743 129 A CB 1.233 20.077 19.000 -0.261 0.000 1.258 129 A HN 1.359 nan 8.150 nan 0.000 0.429 130 M N 3.036 122.569 119.600 -0.111 0.000 2.251 130 M HA 0.274 4.754 4.480 0.000 0.000 0.346 130 M C 0.346 176.595 176.300 -0.084 0.000 1.499 130 M CA -0.076 55.208 55.300 -0.028 0.000 1.128 130 M CB -0.105 32.493 32.600 -0.002 0.000 1.809 130 M HN 0.631 nan 8.290 nan 0.000 0.464 131 R N 5.536 125.994 120.500 -0.069 0.000 2.707 131 R HA 0.246 4.586 4.340 0.000 0.000 0.270 131 R C -1.772 174.456 176.300 -0.119 0.000 1.083 131 R CA -1.930 54.121 56.100 -0.082 0.000 1.182 131 R CB -0.931 29.344 30.300 -0.041 0.000 1.084 131 R HN 0.457 nan 8.270 nan 0.000 0.528 132 P HA -0.125 nan 4.420 nan 0.000 0.216 132 P C 0.470 177.677 177.300 -0.156 0.000 1.150 132 P CA 1.321 64.338 63.100 -0.137 0.000 0.837 132 P CB 0.109 31.765 31.700 -0.072 0.000 0.786 133 N N -1.657 117.026 118.700 -0.028 0.000 2.434 133 N HA -0.091 4.649 4.740 0.000 0.000 0.196 133 N C -0.246 175.431 175.510 0.279 0.000 1.183 133 N CA 0.059 53.175 53.050 0.110 0.000 0.849 133 N CB -1.519 37.057 38.487 0.148 0.000 0.992 133 N HN 0.227 nan 8.380 nan 0.000 0.460 134 H N -2.512 116.673 119.070 0.193 0.000 3.211 134 H HA -0.177 4.380 4.556 0.000 0.000 0.240 134 H C -0.147 175.391 175.328 0.350 0.000 1.148 134 H CA 1.348 57.561 56.048 0.275 0.000 1.160 134 H CB -2.141 27.831 29.762 0.350 0.000 1.232 134 H HN 0.651 nan 8.280 nan 0.000 0.321 135 T N -1.112 113.636 114.554 0.324 0.000 2.937 135 T HA 0.719 5.069 4.350 0.000 0.000 0.283 135 T C 0.544 175.331 174.700 0.145 0.000 1.012 135 T CA -0.481 61.763 62.100 0.241 0.000 0.997 135 T CB 2.396 71.346 68.868 0.136 0.000 1.136 135 T HN 0.445 nan 8.240 nan 0.000 0.551 136 I N -2.349 118.311 120.570 0.150 0.000 2.730 136 I HA 0.613 4.783 4.170 0.000 0.000 0.298 136 I C -1.009 175.181 176.117 0.121 0.000 1.089 136 I CA -1.455 59.887 61.300 0.070 0.000 1.041 136 I CB 2.361 40.364 38.000 0.006 0.000 1.235 136 I HN 0.508 nan 8.210 nan 0.000 0.423 137 K N 4.428 124.840 120.400 0.020 0.000 2.184 137 K HA 0.464 4.784 4.320 0.000 0.000 0.259 137 K C 0.239 176.845 176.600 0.010 0.000 1.119 137 K CA -0.289 56.014 56.287 0.027 0.000 0.991 137 K CB 1.096 33.556 32.500 -0.067 0.000 1.522 137 K HN 0.868 nan 8.250 nan 0.000 0.405 138 G N 0.144 109.076 108.800 0.220 0.000 2.568 138 G HA2 0.216 4.176 3.960 0.000 0.000 0.293 138 G HA3 0.216 4.176 3.960 0.000 0.000 0.293 138 G C -0.871 173.765 174.900 -0.440 0.000 1.347 138 G CA -0.521 44.433 45.100 -0.242 0.000 1.039 138 G HN 0.316 nan 8.290 nan 0.000 0.523 139 S N -0.405 114.741 115.700 -0.923 0.000 2.664 139 S HA 0.664 5.134 4.470 0.000 0.000 0.262 139 S C -1.403 172.842 174.600 -0.591 0.000 1.229 139 S CA -0.710 57.134 58.200 -0.593 0.000 1.151 139 S CB -0.499 62.318 63.200 -0.637 0.000 1.054 139 S HN 0.321 nan 8.310 nan 0.000 0.483 140 F N 3.622 123.518 119.950 -0.091 0.000 2.569 140 F HA 0.585 5.112 4.527 0.000 0.000 0.312 140 F C -0.156 175.769 175.800 0.208 0.000 1.109 140 F CA -0.986 57.017 58.000 0.005 0.000 0.919 140 F CB 1.697 40.514 39.000 -0.305 0.000 1.211 140 F HN 0.231 nan 8.300 nan 0.000 0.446 141 L N 1.360 122.927 121.223 0.573 0.000 2.304 141 L HA 0.501 4.841 4.340 0.000 0.000 0.268 141 L C -0.306 176.832 176.870 0.447 0.000 1.010 141 L CA -1.359 53.719 54.840 0.397 0.000 0.813 141 L CB 1.053 43.232 42.059 0.200 0.000 1.315 141 L HN 0.498 nan 8.230 nan 0.000 0.445 142 N N 0.925 119.798 118.700 0.288 0.000 2.356 142 N HA 0.201 4.941 4.740 0.000 0.000 0.252 142 N C 0.814 176.522 175.510 0.330 0.000 1.241 142 N CA 1.373 54.575 53.050 0.254 0.000 0.861 142 N CB 0.690 39.272 38.487 0.159 0.000 1.075 142 N HN 0.860 nan 8.380 nan 0.000 0.461 143 G N -0.161 108.812 108.800 0.288 0.000 2.194 143 G HA2 -0.306 3.655 3.960 0.000 0.000 0.236 143 G HA3 -0.306 3.655 3.960 0.000 0.000 0.236 143 G C 0.823 175.860 174.900 0.230 0.000 0.987 143 G CA 0.537 45.817 45.100 0.299 0.000 0.635 143 G HN 0.691 nan 8.290 nan 0.000 0.520 144 S N -0.842 114.954 115.700 0.161 0.000 2.558 144 S HA 0.255 4.726 4.470 0.000 0.000 0.217 144 S C 1.303 175.827 174.600 -0.125 0.000 0.975 144 S CA 0.569 58.649 58.200 -0.200 0.000 0.912 144 S CB -0.272 62.874 63.200 -0.090 0.000 0.776 144 S HN 0.886 nan 8.310 nan 0.000 0.526 145 C N 2.489 121.757 119.300 -0.053 0.000 2.563 145 C HA 0.504 4.964 4.460 0.000 0.000 0.411 145 C C 1.944 176.803 174.990 -0.219 0.000 1.386 145 C CA 0.709 59.624 59.018 -0.173 0.000 1.703 145 C CB -0.810 26.850 27.740 -0.134 0.000 2.596 145 C HN 0.939 nan 8.230 nan 0.000 0.605 146 G N 2.804 111.431 108.800 -0.288 0.000 2.213 146 G HA2 -0.208 3.752 3.960 0.000 0.000 0.236 146 G HA3 -0.208 3.752 3.960 0.000 0.000 0.236 146 G C 0.240 175.046 174.900 -0.156 0.000 0.991 146 G CA 0.186 45.133 45.100 -0.255 0.000 0.629 146 G HN 0.776 nan 8.290 nan 0.000 0.517 147 S N 0.017 115.652 115.700 -0.108 0.000 2.573 147 S HA 0.527 4.997 4.470 0.000 0.000 0.277 147 S C 0.632 175.278 174.600 0.077 0.000 1.346 147 S CA 0.271 58.470 58.200 -0.002 0.000 1.034 147 S CB 1.800 65.035 63.200 0.059 0.000 0.879 147 S HN 1.620 nan 8.310 nan 0.000 0.528 148 V N -0.559 119.459 119.914 0.173 0.000 2.960 148 V HA 1.014 5.134 4.120 0.000 0.000 0.315 148 V C 0.230 176.616 176.094 0.485 0.000 1.087 148 V CA -0.938 61.523 62.300 0.270 0.000 0.982 148 V CB 1.527 33.473 31.823 0.205 0.000 1.039 148 V HN 0.863 nan 8.190 nan 0.000 0.437 149 G N 1.633 110.726 108.800 0.488 0.000 2.416 149 G HA2 0.834 4.794 3.960 0.000 0.000 0.329 149 G HA3 0.834 4.794 3.960 0.000 0.000 0.329 149 G C -1.203 173.908 174.900 0.351 0.000 1.173 149 G CA -0.580 44.768 45.100 0.413 0.000 0.929 149 G HN 1.494 nan 8.290 nan 0.000 0.475 150 F N -0.475 119.562 119.950 0.145 0.000 2.779 150 F HA 0.683 5.211 4.527 0.000 0.000 0.316 150 F C -1.083 174.703 175.800 -0.023 0.000 1.164 150 F CA -1.555 56.423 58.000 -0.036 0.000 0.924 150 F CB 1.450 40.327 39.000 -0.205 0.000 1.348 150 F HN 0.363 nan 8.300 nan 0.000 0.467 151 N N 0.387 118.969 118.700 -0.196 0.000 2.416 151 N HA 0.685 5.425 4.740 0.000 0.000 0.276 151 N C -1.866 173.237 175.510 -0.677 0.000 1.261 151 N CA -0.487 52.235 53.050 -0.546 0.000 0.790 151 N CB 3.020 41.339 38.487 -0.279 0.000 1.554 151 N HN 0.671 nan 8.380 nan 0.000 0.481 152 I N 0.471 120.214 120.570 -1.378 0.000 2.499 152 I HA 0.229 4.400 4.170 0.000 0.000 0.288 152 I C -0.996 174.869 176.117 -0.419 0.000 1.048 152 I CA -0.612 60.265 61.300 -0.704 0.000 1.062 152 I CB 2.371 40.090 38.000 -0.469 0.000 1.238 152 I HN 0.253 nan 8.210 nan 0.000 0.426 153 D N 7.057 127.351 120.400 -0.176 0.000 2.462 153 D HA 0.371 5.012 4.640 0.000 0.000 0.245 153 D C 0.096 176.421 176.300 0.042 0.000 1.122 153 D CA 0.119 54.067 54.000 -0.086 0.000 0.864 153 D CB 0.796 41.481 40.800 -0.191 0.000 1.098 153 D HN 0.632 nan 8.370 nan 0.000 0.541 154 Y N 1.431 121.760 120.300 0.048 0.000 2.887 154 Y HA -0.386 4.164 4.550 0.000 0.000 0.467 154 Y C 0.677 176.588 175.900 0.018 0.000 1.193 154 Y CA 0.438 58.561 58.100 0.039 0.000 2.533 154 Y CB -0.844 37.631 38.460 0.025 0.000 1.225 154 Y HN 0.423 nan 8.280 nan 0.000 0.630 155 D N 0.151 120.675 120.400 0.208 0.000 2.469 155 D HA 0.162 4.802 4.640 0.000 0.000 0.215 155 D C -0.430 175.897 176.300 0.046 0.000 1.154 155 D CA 0.384 54.438 54.000 0.090 0.000 0.832 155 D CB 0.304 41.140 40.800 0.061 0.000 1.008 155 D HN 0.199 nan 8.370 nan 0.000 0.506 156 C N 1.772 121.096 119.300 0.040 0.000 2.347 156 C HA 0.473 4.933 4.460 0.000 0.000 0.353 156 C C 0.254 175.195 174.990 -0.082 0.000 1.273 156 C CA -0.318 58.691 59.018 -0.014 0.000 1.861 156 C CB -0.120 27.607 27.740 -0.022 0.000 2.420 156 C HN -0.095 nan 8.230 nan 0.000 0.542 157 V N 6.666 126.516 119.914 -0.106 0.000 2.439 157 V HA 0.360 4.480 4.120 0.000 0.000 0.282 157 V C 0.412 176.346 176.094 -0.267 0.000 1.039 157 V CA 0.092 62.234 62.300 -0.264 0.000 0.913 157 V CB 1.779 33.319 31.823 -0.471 0.000 0.983 157 V HN 0.959 nan 8.190 nan 0.000 0.460 158 S N 5.321 120.863 115.700 -0.264 0.000 2.474 158 S HA 0.561 5.031 4.470 0.000 0.000 0.320 158 S C -0.516 174.022 174.600 -0.104 0.000 1.067 158 S CA -0.333 57.797 58.200 -0.116 0.000 1.127 158 S CB -0.064 63.083 63.200 -0.088 0.000 0.971 158 S HN 0.439 nan 8.310 nan 0.000 0.472 159 F N 1.940 122.009 119.950 0.197 0.000 2.427 159 F HA 0.250 4.777 4.527 0.000 0.000 0.352 159 F C 1.532 177.357 175.800 0.042 0.000 1.100 159 F CA -0.773 57.302 58.000 0.126 0.000 1.191 159 F CB 0.586 39.622 39.000 0.059 0.000 1.128 159 F HN 0.702 nan 8.300 nan 0.000 0.533 160 C N 1.398 120.785 119.300 0.146 0.000 3.931 160 C HA 0.433 4.893 4.460 0.000 0.000 0.378 160 C C -0.489 174.551 174.990 0.084 0.000 1.554 160 C CA -0.710 58.342 59.018 0.056 0.000 1.926 160 C CB -1.103 26.599 27.740 -0.064 0.000 2.837 160 C HN 0.729 nan 8.230 nan 0.000 0.701 161 Y N 1.029 121.242 120.300 -0.146 0.000 2.513 161 Y HA 0.686 5.236 4.550 0.000 0.000 0.340 161 Y C -1.190 174.693 175.900 -0.028 0.000 1.055 161 Y CA -1.062 56.971 58.100 -0.111 0.000 1.020 161 Y CB 1.594 39.772 38.460 -0.471 0.000 1.301 161 Y HN 0.261 nan 8.280 nan 0.000 0.453 162 M N 5.817 125.000 119.600 -0.695 0.000 2.204 162 M HA 0.330 4.810 4.480 0.000 0.000 0.293 162 M C -1.918 173.931 176.300 -0.752 0.000 0.994 162 M CA -0.754 54.236 55.300 -0.517 0.000 0.925 162 M CB 0.970 33.371 32.600 -0.332 0.000 1.577 162 M HN 0.940 nan 8.290 nan 0.000 0.439 163 H N 3.285 122.017 119.070 -0.563 0.000 2.803 163 H HA 0.244 4.801 4.556 0.000 0.000 0.330 163 H C -0.249 174.951 175.328 -0.215 0.000 1.057 163 H CA 1.215 57.048 56.048 -0.359 0.000 1.458 163 H CB 0.543 30.026 29.762 -0.464 0.000 1.470 163 H HN 0.735 nan 8.280 nan 0.000 0.560 164 H N 4.004 122.658 119.070 -0.693 0.000 3.067 164 H HA 0.161 4.717 4.556 0.000 0.000 0.241 164 H C 0.242 175.367 175.328 -0.338 0.000 0.961 164 H CA 0.619 56.455 56.048 -0.353 0.000 1.123 164 H CB 0.853 30.551 29.762 -0.106 0.000 1.448 164 H HN 0.623 nan 8.280 nan 0.000 0.457 165 M N -0.373 119.070 119.600 -0.262 0.000 2.949 165 M HA 0.414 4.894 4.480 0.000 0.000 0.270 165 M C -1.902 174.525 176.300 0.211 0.000 1.221 165 M CA -0.835 54.441 55.300 -0.040 0.000 0.818 165 M CB 3.447 36.065 32.600 0.030 0.000 1.635 165 M HN -0.119 nan 8.290 nan 0.000 0.492 166 E N 1.111 121.423 120.200 0.187 0.000 2.199 166 E HA 0.712 5.063 4.350 0.000 0.000 0.269 166 E C -1.810 174.789 176.600 -0.002 0.000 0.899 166 E CA -0.750 55.743 56.400 0.154 0.000 0.772 166 E CB 2.195 32.022 29.700 0.211 0.000 1.155 166 E HN 0.703 nan 8.360 nan 0.000 0.408 167 L N 4.876 126.045 121.223 -0.091 0.000 2.431 167 L HA 0.326 4.666 4.340 0.000 0.000 0.260 167 L C -1.609 175.229 176.870 -0.055 0.000 1.098 167 L CA -1.983 52.800 54.840 -0.095 0.000 0.800 167 L CB 0.579 42.544 42.059 -0.157 0.000 1.210 167 L HN 0.560 nan 8.230 nan 0.000 0.465 168 P HA -0.200 nan 4.420 nan 0.000 0.216 168 P C 1.274 178.564 177.300 -0.017 0.000 1.154 168 P CA 1.634 64.727 63.100 -0.011 0.000 0.865 168 P CB -0.018 31.684 31.700 0.004 0.000 0.789 169 T N -5.508 109.030 114.554 -0.026 0.000 3.160 169 T HA 0.214 4.564 4.350 0.000 0.000 0.257 169 T C 1.475 176.143 174.700 -0.053 0.000 1.147 169 T CA 0.622 62.704 62.100 -0.029 0.000 1.064 169 T CB -0.895 67.960 68.868 -0.022 0.000 0.949 169 T HN 0.281 nan 8.240 nan 0.000 0.526 170 G N 0.707 109.457 108.800 -0.083 0.000 2.141 170 G HA2 -0.194 3.766 3.960 0.000 0.000 0.231 170 G HA3 -0.194 3.766 3.960 0.000 0.000 0.231 170 G C 0.096 174.823 174.900 -0.288 0.000 0.984 170 G CA -0.001 45.025 45.100 -0.124 0.000 0.660 170 G HN 1.284 nan 8.290 nan 0.000 0.525 171 V N -2.663 117.075 119.914 -0.293 0.000 3.234 171 V HA 0.936 5.056 4.120 0.000 0.000 0.317 171 V C 0.316 176.101 176.094 -0.515 0.000 1.081 171 V CA -1.337 60.759 62.300 -0.341 0.000 1.037 171 V CB 1.277 33.034 31.823 -0.111 0.000 1.148 171 V HN 0.329 nan 8.190 nan 0.000 0.453 172 H N 0.065 119.234 119.070 0.165 0.000 2.621 172 H HA 0.902 5.458 4.556 0.000 0.000 0.360 172 H C 0.001 175.495 175.328 0.277 0.000 1.163 172 H CA 0.192 56.419 56.048 0.297 0.000 1.194 172 H CB 1.802 31.855 29.762 0.484 0.000 1.649 172 H HN 1.155 nan 8.280 nan 0.000 0.532 173 A N 1.068 124.146 122.820 0.429 0.000 2.454 173 A HA 0.866 5.186 4.320 0.000 0.000 0.302 173 A C -0.149 177.755 177.584 0.534 0.000 1.079 173 A CA -0.001 52.273 52.037 0.394 0.000 0.731 173 A CB 1.590 20.577 19.000 -0.022 0.000 1.299 173 A HN 0.891 nan 8.150 nan 0.000 0.413 174 G N -0.860 108.242 108.800 0.503 0.000 2.650 174 G HA2 0.766 4.726 3.960 0.000 0.000 0.310 174 G HA3 0.766 4.726 3.960 0.000 0.000 0.310 174 G C -0.486 174.164 174.900 -0.417 0.000 1.270 174 G CA 0.422 45.446 45.100 -0.126 0.000 0.810 174 G HN 1.711 nan 8.290 nan 0.000 0.493 175 T N -1.909 112.261 114.554 -0.640 0.000 2.838 175 T HA 0.659 5.009 4.350 0.000 0.000 0.292 175 T C -0.757 173.743 174.700 -0.333 0.000 1.113 175 T CA 0.002 61.744 62.100 -0.597 0.000 1.008 175 T CB 1.914 70.241 68.868 -0.901 0.000 1.259 175 T HN 0.774 nan 8.240 nan 0.000 0.520 176 D N 0.371 120.486 120.400 -0.476 0.000 2.447 176 D HA 0.225 4.865 4.640 0.000 0.000 0.265 176 D C 0.985 177.080 176.300 -0.341 0.000 1.250 176 D CA -0.998 52.829 54.000 -0.288 0.000 1.046 176 D CB 0.171 40.766 40.800 -0.341 0.000 1.095 176 D HN 0.300 nan 8.370 nan 0.000 0.555 177 L N -0.395 120.576 121.223 -0.420 0.000 2.660 177 L HA 0.103 4.444 4.340 0.000 0.000 0.238 177 L C 0.815 177.362 176.870 -0.539 0.000 1.161 177 L CA 0.907 55.291 54.840 -0.760 0.000 0.937 177 L CB -1.188 39.860 42.059 -1.684 0.000 1.122 177 L HN 0.528 nan 8.230 nan 0.000 0.435 178 E N -0.838 119.200 120.200 -0.269 0.000 2.538 178 E HA 0.186 4.536 4.350 0.000 0.000 0.207 178 E C 1.280 177.803 176.600 -0.129 0.000 1.002 178 E CA 0.383 56.718 56.400 -0.109 0.000 0.952 178 E CB 0.661 30.334 29.700 -0.046 0.000 1.031 178 E HN 0.447 nan 8.360 nan 0.000 0.476 179 G N 2.677 111.352 108.800 -0.207 0.000 2.179 179 G HA2 -0.332 3.628 3.960 0.000 0.000 0.260 179 G HA3 -0.332 3.628 3.960 0.000 0.000 0.260 179 G C 0.342 175.082 174.900 -0.267 0.000 0.977 179 G CA 0.411 45.382 45.100 -0.216 0.000 0.641 179 G HN 0.178 nan 8.290 nan 0.000 0.533 180 K N 0.494 120.733 120.400 -0.269 0.000 2.316 180 K HA 0.484 4.805 4.320 0.000 0.000 0.289 180 K C 0.172 176.568 176.600 -0.340 0.000 1.070 180 K CA -0.806 55.341 56.287 -0.233 0.000 0.928 180 K CB -0.047 32.328 32.500 -0.208 0.000 1.039 180 K HN 0.030 nan 8.250 nan 0.000 0.480 181 F N 3.115 122.911 119.950 -0.257 0.000 2.628 181 F HA -0.083 4.444 4.527 0.000 0.000 0.362 181 F C 0.326 176.020 175.800 -0.178 0.000 1.148 181 F CA 0.590 58.477 58.000 -0.188 0.000 1.352 181 F CB 0.300 39.254 39.000 -0.076 0.000 1.081 181 F HN 0.441 nan 8.300 nan 0.000 0.605 182 Y N 2.016 122.466 120.300 0.249 0.000 2.350 182 Y HA 0.484 5.034 4.550 0.000 0.000 0.340 182 Y C 0.682 176.714 175.900 0.219 0.000 1.006 182 Y CA 0.032 58.255 58.100 0.204 0.000 1.166 182 Y CB 0.830 39.504 38.460 0.356 0.000 1.168 182 Y HN 0.825 nan 8.280 nan 0.000 0.502 183 G N 4.689 113.393 108.800 -0.159 0.000 2.756 183 G HA2 -0.164 3.796 3.960 0.000 0.000 0.678 183 G HA3 -0.164 3.796 3.960 0.000 0.000 0.678 183 G C -2.411 172.235 174.900 -0.423 0.000 1.349 183 G CA -0.911 43.998 45.100 -0.319 0.000 0.847 183 G HN 0.513 nan 8.290 nan 0.000 0.548 184 P HA 0.281 nan 4.420 nan 0.000 0.258 184 P C -0.259 176.631 177.300 -0.684 0.000 1.559 184 P CA 0.186 62.932 63.100 -0.589 0.000 0.855 184 P CB -0.517 30.900 31.700 -0.472 0.000 1.594 185 F N 0.614 120.434 119.950 -0.216 0.000 2.408 185 F HA 0.432 4.959 4.527 0.000 0.000 0.325 185 F C 1.008 176.275 175.800 -0.887 0.000 1.082 185 F CA -1.253 56.480 58.000 -0.445 0.000 1.032 185 F CB 1.019 39.794 39.000 -0.374 0.000 1.259 185 F HN -0.221 nan 8.300 nan 0.000 0.503 186 V N -1.581 117.993 119.914 -0.566 0.000 2.876 186 V HA 0.517 4.638 4.120 0.000 0.000 0.312 186 V C -1.184 174.692 176.094 -0.365 0.000 1.085 186 V CA -1.188 60.785 62.300 -0.545 0.000 0.945 186 V CB 1.839 33.545 31.823 -0.194 0.000 1.017 186 V HN 0.702 nan 8.190 nan 0.000 0.428 187 D N 2.704 123.039 120.400 -0.108 0.000 2.551 187 D HA 0.383 5.024 4.640 0.000 0.000 0.223 187 D C 0.021 176.411 176.300 0.149 0.000 1.144 187 D CA 0.055 54.133 54.000 0.130 0.000 1.025 187 D CB 0.231 41.229 40.800 0.329 0.000 1.085 187 D HN 0.843 nan 8.370 nan 0.000 0.506 188 R N 0.637 121.166 120.500 0.048 0.000 2.692 188 R HA 0.142 4.482 4.340 0.000 0.000 0.269 188 R C -1.333 174.968 176.300 0.002 0.000 1.030 188 R CA -0.702 55.426 56.100 0.047 0.000 0.882 188 R CB 1.173 31.502 30.300 0.048 0.000 1.250 188 R HN 0.035 nan 8.270 nan 0.000 0.465 189 Q N 2.332 122.131 119.800 -0.002 0.000 2.323 189 Q HA 0.248 4.588 4.340 0.000 0.000 0.257 189 Q C -0.464 175.534 176.000 -0.002 0.000 1.022 189 Q CA 0.131 55.930 55.803 -0.007 0.000 0.919 189 Q CB 1.537 30.271 28.738 -0.007 0.000 1.220 189 Q HN 0.809 nan 8.270 nan 0.000 0.427 190 T N -2.807 111.748 114.554 0.001 0.000 2.739 190 T HA 0.524 4.874 4.350 0.000 0.000 0.303 190 T C 0.348 175.056 174.700 0.013 0.000 1.389 190 T CA -0.347 61.756 62.100 0.005 0.000 1.001 190 T CB 0.882 69.753 68.868 0.004 0.000 1.436 190 T HN 0.296 nan 8.240 nan 0.000 0.500 191 A N -0.021 122.807 122.820 0.014 0.000 2.276 191 A HA 0.130 4.450 4.320 0.000 0.000 0.205 191 A C 1.019 178.624 177.584 0.035 0.000 1.234 191 A CA 0.238 52.287 52.037 0.020 0.000 0.797 191 A CB -1.202 17.807 19.000 0.015 0.000 0.769 191 A HN 0.746 nan 8.150 nan 0.000 0.491 192 Q N -0.710 119.119 119.800 0.048 0.000 2.342 192 Q HA 0.272 4.612 4.340 0.000 0.000 0.330 192 Q C 0.075 176.141 176.000 0.110 0.000 1.117 192 Q CA 0.767 56.629 55.803 0.099 0.000 1.010 192 Q CB 0.257 29.079 28.738 0.141 0.000 1.204 192 Q HN 0.561 nan 8.270 nan 0.000 0.400 193 A N 1.060 123.979 122.820 0.166 0.000 2.539 193 A HA 0.730 5.050 4.320 0.000 0.000 0.296 193 A C -1.110 176.630 177.584 0.260 0.000 1.073 193 A CA -0.419 51.706 52.037 0.147 0.000 0.700 193 A CB 1.523 20.576 19.000 0.089 0.000 1.296 193 A HN 0.753 nan 8.150 nan 0.000 0.405 194 A N 0.831 123.772 122.820 0.202 0.000 2.425 194 A HA 0.569 4.889 4.320 0.000 0.000 0.249 194 A C 1.004 178.707 177.584 0.198 0.000 1.084 194 A CA 0.442 52.643 52.037 0.273 0.000 0.781 194 A CB -0.221 18.866 19.000 0.145 0.000 1.019 194 A HN 1.968 nan 8.150 nan 0.000 0.490 195 G N 0.523 109.452 108.800 0.214 0.000 2.529 195 G HA2 0.410 4.370 3.960 0.000 0.000 0.277 195 G HA3 0.410 4.370 3.960 0.000 0.000 0.277 195 G C 0.460 175.414 174.900 0.090 0.000 1.383 195 G CA 0.311 45.483 45.100 0.120 0.000 1.050 195 G HN 1.267 nan 8.290 nan 0.000 0.526 196 T N -1.105 113.487 114.554 0.063 0.000 2.799 196 T HA 0.304 4.654 4.350 0.000 0.000 0.296 196 T C -0.503 174.219 174.700 0.037 0.000 0.947 196 T CA -0.426 61.700 62.100 0.043 0.000 1.141 196 T CB 1.271 70.160 68.868 0.034 0.000 0.891 196 T HN 0.324 nan 8.240 nan 0.000 0.533 197 D N 1.942 122.356 120.400 0.024 0.000 2.225 197 D HA 0.440 5.080 4.640 0.000 0.000 0.248 197 D C -0.170 176.121 176.300 -0.016 0.000 1.096 197 D CA 0.038 54.040 54.000 0.003 0.000 0.863 197 D CB 1.656 42.452 40.800 -0.006 0.000 1.156 197 D HN 0.637 nan 8.370 nan 0.000 0.450 198 T N 1.502 116.034 114.554 -0.036 0.000 2.942 198 T HA 0.488 4.838 4.350 0.000 0.000 0.289 198 T C -0.485 174.133 174.700 -0.136 0.000 1.044 198 T CA -0.509 61.558 62.100 -0.055 0.000 1.023 198 T CB 1.009 69.864 68.868 -0.021 0.000 1.123 198 T HN 0.257 nan 8.240 nan 0.000 0.512 199 T N 2.960 117.365 114.554 -0.247 0.000 2.856 199 T HA 0.407 4.757 4.350 0.000 0.000 0.292 199 T C 0.383 174.854 174.700 -0.381 0.000 0.980 199 T CA -0.251 61.574 62.100 -0.457 0.000 1.091 199 T CB 0.146 68.397 68.868 -1.029 0.000 0.936 199 T HN 0.443 nan 8.240 nan 0.000 0.503 200 I N 4.034 124.432 120.570 -0.286 0.000 2.278 200 I HA 0.029 4.199 4.170 0.000 0.000 0.300 200 I C 1.759 177.796 176.117 -0.134 0.000 1.174 200 I CA -0.172 61.024 61.300 -0.174 0.000 1.347 200 I CB -0.117 37.797 38.000 -0.143 0.000 1.473 200 I HN 0.768 nan 8.210 nan 0.000 0.595 201 T N 4.552 119.080 114.554 -0.044 0.000 2.665 201 T HA -0.248 4.102 4.350 0.000 0.000 0.268 201 T C 1.875 176.626 174.700 0.084 0.000 1.035 201 T CA 1.419 63.614 62.100 0.158 0.000 1.151 201 T CB -0.138 68.942 68.868 0.352 0.000 0.862 201 T HN 0.505 nan 8.240 nan 0.000 0.438 202 L N 2.127 123.324 121.223 -0.044 0.000 2.043 202 L HA -0.135 4.205 4.340 0.000 0.000 0.212 202 L C 1.857 178.738 176.870 0.017 0.000 1.075 202 L CA 1.826 56.619 54.840 -0.078 0.000 0.752 202 L CB -0.971 40.916 42.059 -0.286 0.000 0.891 202 L HN 0.128 nan 8.230 nan 0.000 0.432 203 N N -0.677 118.029 118.700 0.010 0.000 2.142 203 N HA -0.115 4.626 4.740 0.000 0.000 0.186 203 N C 1.905 177.491 175.510 0.126 0.000 1.023 203 N CA 1.616 54.710 53.050 0.073 0.000 0.852 203 N CB -0.623 37.878 38.487 0.023 0.000 0.998 203 N HN 0.295 nan 8.380 nan 0.000 0.424 204 V N 1.643 121.609 119.914 0.086 0.000 2.392 204 V HA -0.161 3.959 4.120 0.000 0.000 0.249 204 V C 2.298 178.506 176.094 0.191 0.000 1.059 204 V CA 1.156 63.543 62.300 0.144 0.000 1.051 204 V CB -0.518 31.412 31.823 0.178 0.000 0.658 204 V HN 0.240 nan 8.190 nan 0.000 0.455 205 L N -0.059 121.245 121.223 0.135 0.000 2.056 205 L HA -0.108 4.232 4.340 0.000 0.000 0.207 205 L C 2.736 179.699 176.870 0.155 0.000 1.078 205 L CA 1.433 56.318 54.840 0.075 0.000 0.749 205 L CB -0.784 41.315 42.059 0.067 0.000 0.901 205 L HN 0.349 nan 8.230 nan 0.000 0.433 206 A N -0.613 122.339 122.820 0.220 0.000 1.933 206 A HA -0.276 4.044 4.320 0.000 0.000 0.218 206 A C 2.013 179.701 177.584 0.173 0.000 1.175 206 A CA 1.586 53.772 52.037 0.249 0.000 0.628 206 A CB -1.004 18.123 19.000 0.212 0.000 0.814 206 A HN 0.634 nan 8.150 nan 0.000 0.444 207 W N 0.541 121.798 121.300 -0.072 0.000 2.388 207 W HA -0.068 4.592 4.660 0.000 0.000 0.294 207 W C 1.666 177.984 176.519 -0.334 0.000 1.212 207 W CA 1.616 58.815 57.345 -0.244 0.000 1.271 207 W CB -0.239 29.154 29.460 -0.112 0.000 1.126 207 W HN 0.249 nan 8.180 nan 0.000 0.535 208 L N -0.794 120.288 121.223 -0.236 0.000 2.093 208 L HA -0.237 4.103 4.340 0.000 0.000 0.208 208 L C 2.248 178.862 176.870 -0.426 0.000 1.085 208 L CA 1.080 55.560 54.840 -0.600 0.000 0.755 208 L CB -1.103 40.612 42.059 -0.573 0.000 0.904 208 L HN -0.050 nan 8.230 nan 0.000 0.435 209 Y N 0.100 120.273 120.300 -0.212 0.000 2.224 209 Y HA -0.204 4.346 4.550 0.000 0.000 0.289 209 Y C 2.607 178.340 175.900 -0.278 0.000 1.146 209 Y CA 1.061 59.058 58.100 -0.171 0.000 1.182 209 Y CB -0.623 37.768 38.460 -0.114 0.000 0.983 209 Y HN 0.116 nan 8.280 nan 0.000 0.524 210 A N -0.516 122.116 122.820 -0.313 0.000 2.014 210 A HA 0.007 4.327 4.320 0.000 0.000 0.218 210 A C 2.388 179.604 177.584 -0.613 0.000 1.163 210 A CA 1.365 53.039 52.037 -0.605 0.000 0.652 210 A CB -0.965 17.236 19.000 -1.332 0.000 0.808 210 A HN 0.370 nan 8.150 nan 0.000 0.449 211 A N -0.552 121.884 122.820 -0.640 0.000 1.897 211 A HA 0.068 4.388 4.320 0.000 0.000 0.215 211 A C 2.181 179.642 177.584 -0.206 0.000 1.181 211 A CA 1.551 53.286 52.037 -0.503 0.000 0.620 211 A CB -0.804 17.801 19.000 -0.659 0.000 0.821 211 A HN 0.314 nan 8.150 nan 0.000 0.443 212 V N 0.419 120.265 119.914 -0.113 0.000 2.295 212 V HA -0.259 3.861 4.120 0.000 0.000 0.246 212 V C 2.369 178.418 176.094 -0.075 0.000 1.049 212 V CA 1.983 64.246 62.300 -0.063 0.000 1.024 212 V CB -0.649 31.160 31.823 -0.024 0.000 0.648 212 V HN 0.575 nan 8.190 nan 0.000 0.447 213 I N 0.529 121.051 120.570 -0.080 0.000 2.530 213 I HA -0.227 3.943 4.170 0.000 0.000 0.257 213 I C 0.905 176.981 176.117 -0.068 0.000 1.179 213 I CA 1.612 62.872 61.300 -0.066 0.000 1.440 213 I CB -0.435 37.520 38.000 -0.074 0.000 1.087 213 I HN 0.471 nan 8.210 nan 0.000 0.440 214 N N 0.340 118.984 118.700 -0.094 0.000 2.458 214 N HA 0.305 5.046 4.740 0.000 0.000 0.274 214 N C 0.742 176.220 175.510 -0.053 0.000 1.242 214 N CA 0.338 53.348 53.050 -0.065 0.000 0.904 214 N CB 1.093 39.537 38.487 -0.071 0.000 1.206 214 N HN 0.362 nan 8.380 nan 0.000 0.510 215 G N 1.332 110.100 108.800 -0.053 0.000 3.675 215 G HA2 -0.328 3.632 3.960 0.000 0.000 0.275 215 G HA3 -0.328 3.632 3.960 0.000 0.000 0.275 215 G C -0.321 174.546 174.900 -0.056 0.000 1.648 215 G CA -0.285 44.788 45.100 -0.044 0.000 1.093 215 G HN 0.407 nan 8.290 nan 0.000 0.617 216 D N 2.322 122.712 120.400 -0.017 0.000 7.447 216 D HA -0.035 4.605 4.640 0.000 0.000 0.144 216 D C 1.559 177.781 176.300 -0.131 0.000 1.224 216 D CA 1.492 55.508 54.000 0.027 0.000 0.817 216 D CB -0.238 40.600 40.800 0.064 0.000 1.592 216 D HN 0.874 nan 8.370 nan 0.000 0.920 217 R N 3.525 123.841 120.500 -0.306 0.000 2.548 217 R HA 0.093 4.433 4.340 0.000 0.000 0.449 217 R C 1.578 177.416 176.300 -0.770 0.000 0.928 217 R CA -0.673 54.950 56.100 -0.795 0.000 1.107 217 R CB -0.714 29.308 30.300 -0.464 0.000 1.557 217 R HN 0.450 nan 8.270 nan 0.000 0.584 218 W N 1.171 122.154 121.300 -0.528 0.000 2.402 218 W HA -0.096 4.564 4.660 0.000 0.000 0.286 218 W C 0.712 177.064 176.519 -0.279 0.000 1.221 218 W CA 0.485 57.655 57.345 -0.291 0.000 1.257 218 W CB -0.750 28.653 29.460 -0.095 0.000 1.120 218 W HN 0.106 nan 8.180 nan 0.000 0.551 219 F N 1.080 120.595 119.950 -0.725 0.000 2.604 219 F HA 0.275 4.802 4.527 0.000 0.000 0.298 219 F C 1.080 176.704 175.800 -0.293 0.000 1.131 219 F CA -0.349 57.209 58.000 -0.737 0.000 1.457 219 F CB -1.461 36.826 39.000 -1.188 0.000 1.095 219 F HN -0.326 nan 8.300 nan 0.000 0.574 220 L N 2.246 123.097 121.223 -0.620 0.000 2.464 220 L HA 0.189 4.529 4.340 0.000 0.000 0.264 220 L C -0.187 176.611 176.870 -0.121 0.000 1.199 220 L CA -0.379 54.278 54.840 -0.305 0.000 0.818 220 L CB 0.482 42.305 42.059 -0.394 0.000 1.102 220 L HN 0.371 nan 8.230 nan 0.000 0.473 221 N N -0.168 118.498 118.700 -0.056 0.000 2.902 221 N HA 0.296 5.036 4.740 0.000 0.000 0.268 221 N C -0.252 175.186 175.510 -0.121 0.000 1.450 221 N CA -1.142 51.882 53.050 -0.044 0.000 0.819 221 N CB 0.785 39.343 38.487 0.119 0.000 1.540 221 N HN 0.476 nan 8.380 nan 0.000 0.545 222 R N -0.767 119.550 120.500 -0.305 0.000 2.310 222 R HA 0.304 4.644 4.340 0.000 0.000 0.202 222 R C -0.605 175.477 176.300 -0.364 0.000 0.933 222 R CA -0.092 55.797 56.100 -0.352 0.000 1.054 222 R CB -0.574 29.467 30.300 -0.431 0.000 0.985 222 R HN 0.340 nan 8.270 nan 0.000 0.489 223 F N 0.284 120.232 119.950 -0.003 0.000 2.380 223 F HA 0.411 4.938 4.527 0.000 0.000 0.321 223 F C 0.922 176.726 175.800 0.008 0.000 1.103 223 F CA -0.553 57.451 58.000 0.006 0.000 1.067 223 F CB 1.644 40.652 39.000 0.013 0.000 1.265 223 F HN -0.188 nan 8.300 nan 0.000 0.517 224 T N -0.758 113.948 114.554 0.252 0.000 2.838 224 T HA 0.612 4.962 4.350 0.000 0.000 0.292 224 T C -0.938 173.842 174.700 0.134 0.000 1.113 224 T CA -0.318 61.868 62.100 0.143 0.000 1.008 224 T CB 1.874 70.795 68.868 0.089 0.000 1.259 224 T HN 0.779 nan 8.240 nan 0.000 0.520 225 T N -0.162 114.452 114.554 0.100 0.000 2.787 225 T HA 0.606 4.956 4.350 0.000 0.000 0.297 225 T C -0.973 173.778 174.700 0.084 0.000 1.221 225 T CA -0.353 61.805 62.100 0.097 0.000 1.006 225 T CB 1.648 70.596 68.868 0.133 0.000 1.328 225 T HN 0.740 nan 8.240 nan 0.000 0.509 226 T N 1.317 115.923 114.554 0.088 0.000 2.943 226 T HA 0.453 4.803 4.350 0.000 0.000 0.284 226 T C 1.278 176.042 174.700 0.107 0.000 1.015 226 T CA -0.570 61.576 62.100 0.077 0.000 1.042 226 T CB 0.946 69.852 68.868 0.063 0.000 1.055 226 T HN 0.507 nan 8.240 nan 0.000 0.500 227 L N 4.075 125.350 121.223 0.086 0.000 2.042 227 L HA -0.028 4.312 4.340 0.000 0.000 0.210 227 L C 2.094 179.062 176.870 0.163 0.000 1.076 227 L CA 2.078 56.985 54.840 0.111 0.000 0.749 227 L CB -1.236 40.867 42.059 0.073 0.000 0.893 227 L HN 0.767 nan 8.230 nan 0.000 0.432 228 N N -0.627 118.140 118.700 0.112 0.000 2.084 228 N HA -0.190 4.550 4.740 0.000 0.000 0.190 228 N C 1.447 177.016 175.510 0.098 0.000 1.030 228 N CA 1.576 54.685 53.050 0.098 0.000 0.849 228 N CB -0.076 38.449 38.487 0.063 0.000 1.012 228 N HN 0.401 nan 8.380 nan 0.000 0.423 229 D N -0.590 119.867 120.400 0.095 0.000 2.219 229 D HA -0.135 4.505 4.640 0.000 0.000 0.205 229 D C 1.529 177.880 176.300 0.085 0.000 0.970 229 D CA 0.446 54.488 54.000 0.069 0.000 0.851 229 D CB -0.258 40.576 40.800 0.056 0.000 0.943 229 D HN 0.288 nan 8.370 nan 0.000 0.488 230 F N 2.099 122.057 119.950 0.015 0.000 2.084 230 F HA -0.159 4.369 4.527 0.000 0.000 0.296 230 F C 1.908 177.720 175.800 0.021 0.000 1.111 230 F CA 1.168 59.174 58.000 0.010 0.000 1.224 230 F CB -0.202 38.811 39.000 0.021 0.000 0.991 230 F HN -0.175 nan 8.300 nan 0.000 0.471 231 N N 1.082 119.862 118.700 0.132 0.000 2.149 231 N HA -0.191 4.549 4.740 0.000 0.000 0.188 231 N C 2.076 177.547 175.510 -0.065 0.000 1.019 231 N CA 1.690 54.762 53.050 0.037 0.000 0.857 231 N CB -0.664 37.914 38.487 0.152 0.000 0.997 231 N HN 0.381 nan 8.380 nan 0.000 0.426 232 L N 0.349 121.549 121.223 -0.038 0.000 2.079 232 L HA -0.158 4.183 4.340 0.000 0.000 0.210 232 L C 2.152 178.977 176.870 -0.075 0.000 1.081 232 L CA 0.904 55.720 54.840 -0.040 0.000 0.752 232 L CB -0.350 41.697 42.059 -0.020 0.000 0.896 232 L HN 0.005 nan 8.230 nan 0.000 0.433 233 V N -0.498 119.333 119.914 -0.139 0.000 2.300 233 V HA -0.121 3.999 4.120 0.000 0.000 0.241 233 V C 2.697 178.727 176.094 -0.107 0.000 1.034 233 V CA 1.462 63.697 62.300 -0.109 0.000 1.021 233 V CB -0.811 30.913 31.823 -0.166 0.000 0.662 233 V HN 0.409 nan 8.190 nan 0.000 0.458 234 A N 0.055 122.624 122.820 -0.419 0.000 1.903 234 A HA -0.305 4.015 4.320 0.000 0.000 0.219 234 A C 2.200 179.755 177.584 -0.049 0.000 1.191 234 A CA 2.573 54.361 52.037 -0.416 0.000 0.638 234 A CB -0.678 17.856 19.000 -0.776 0.000 0.823 234 A HN 0.528 nan 8.150 nan 0.000 0.451 235 M N -0.937 118.643 119.600 -0.033 0.000 2.539 235 M HA -0.096 4.384 4.480 0.000 0.000 0.261 235 M C 1.959 178.267 176.300 0.013 0.000 1.069 235 M CA 1.526 56.847 55.300 0.036 0.000 1.081 235 M CB -0.205 32.409 32.600 0.023 0.000 1.412 235 M HN 0.499 nan 8.290 nan 0.000 0.482 236 K N -0.098 120.289 120.400 -0.022 0.000 2.379 236 K HA -0.056 4.264 4.320 0.000 0.000 0.194 236 K C 0.125 176.555 176.600 -0.284 0.000 1.031 236 K CA 0.659 56.855 56.287 -0.151 0.000 1.037 236 K CB 0.427 32.799 32.500 -0.213 0.000 0.824 236 K HN 0.286 nan 8.250 nan 0.000 0.516 237 Y N 0.463 120.744 120.300 -0.033 0.000 2.681 237 Y HA 0.205 4.755 4.550 0.000 0.000 0.267 237 Y C -0.045 175.952 175.900 0.161 0.000 1.166 237 Y CA -0.553 57.561 58.100 0.022 0.000 1.209 237 Y CB 0.406 38.823 38.460 -0.072 0.000 1.161 237 Y HN 0.150 nan 8.280 nan 0.000 0.534 238 N N -0.388 118.440 118.700 0.212 0.000 2.818 238 N HA -0.260 4.480 4.740 0.000 0.000 0.250 238 N C -1.470 174.180 175.510 0.232 0.000 1.108 238 N CA 0.454 53.611 53.050 0.178 0.000 0.745 238 N CB -1.690 36.873 38.487 0.126 0.000 1.104 238 N HN 0.291 nan 8.380 nan 0.000 0.557 239 Y N 1.016 121.349 120.300 0.055 0.000 2.342 239 Y HA 0.367 4.917 4.550 0.000 0.000 0.334 239 Y C 0.971 176.908 175.900 0.062 0.000 1.067 239 Y CA -1.000 57.133 58.100 0.055 0.000 1.128 239 Y CB 1.045 39.539 38.460 0.055 0.000 1.200 239 Y HN 0.109 nan 8.280 nan 0.000 0.464 240 E N 4.873 125.169 120.200 0.160 0.000 2.413 240 E HA 0.105 4.455 4.350 0.000 0.000 0.263 240 E C -2.462 174.267 176.600 0.214 0.000 1.015 240 E CA -1.543 54.940 56.400 0.139 0.000 0.916 240 E CB 0.520 30.267 29.700 0.078 0.000 0.947 240 E HN 0.269 nan 8.360 nan 0.000 0.440 241 P HA 0.001 nan 4.420 nan 0.000 0.268 241 P C -1.074 176.399 177.300 0.288 0.000 1.204 241 P CA -0.113 63.117 63.100 0.217 0.000 0.768 241 P CB 0.467 32.258 31.700 0.151 0.000 0.842 242 L N 4.181 125.609 121.223 0.342 0.000 2.275 242 L HA 0.441 4.782 4.340 0.000 0.000 0.288 242 L C 0.343 177.350 176.870 0.228 0.000 1.046 242 L CA 0.220 55.280 54.840 0.367 0.000 0.805 242 L CB 0.656 42.883 42.059 0.280 0.000 1.193 242 L HN 0.428 nan 8.230 nan 0.000 0.426 243 T N 0.651 115.281 114.554 0.126 0.000 2.944 243 T HA 0.271 4.622 4.350 0.000 0.000 0.284 243 T C 0.665 175.320 174.700 -0.076 0.000 1.010 243 T CA -0.461 61.583 62.100 -0.092 0.000 1.025 243 T CB 1.367 70.038 68.868 -0.329 0.000 1.079 243 T HN 0.577 nan 8.240 nan 0.000 0.516 244 Q N 0.258 120.025 119.800 -0.055 0.000 2.170 244 Q HA -0.128 4.212 4.340 0.000 0.000 0.203 244 Q C 1.573 177.555 176.000 -0.030 0.000 0.976 244 Q CA 1.884 57.674 55.803 -0.022 0.000 0.858 244 Q CB -0.747 27.984 28.738 -0.013 0.000 0.907 244 Q HN 0.797 nan 8.270 nan 0.000 0.433 245 D N -0.986 119.358 120.400 -0.093 0.000 2.097 245 D HA -0.166 4.474 4.640 0.000 0.000 0.195 245 D C 1.614 177.929 176.300 0.024 0.000 0.989 245 D CA 1.218 55.178 54.000 -0.065 0.000 0.827 245 D CB -0.151 40.571 40.800 -0.131 0.000 0.966 245 D HN 0.435 nan 8.370 nan 0.000 0.456 246 H N -0.139 118.953 119.070 0.037 0.000 2.319 246 H HA -0.051 4.506 4.556 0.000 0.000 0.299 246 H C 2.431 177.775 175.328 0.027 0.000 1.092 246 H CA 0.632 56.703 56.048 0.039 0.000 1.302 246 H CB -0.737 29.052 29.762 0.045 0.000 1.373 246 H HN 0.041 nan 8.280 nan 0.000 0.497 247 V N 1.516 121.509 119.914 0.132 0.000 2.392 247 V HA -0.237 3.884 4.120 0.000 0.000 0.249 247 V C 1.914 178.039 176.094 0.052 0.000 1.059 247 V CA 2.085 64.425 62.300 0.067 0.000 1.051 247 V CB -0.340 31.502 31.823 0.032 0.000 0.658 247 V HN 0.367 nan 8.190 nan 0.000 0.455 248 D N -0.108 120.322 120.400 0.049 0.000 2.144 248 D HA -0.091 4.549 4.640 0.000 0.000 0.200 248 D C 2.032 178.355 176.300 0.039 0.000 0.978 248 D CA 1.181 55.202 54.000 0.034 0.000 0.833 248 D CB -0.224 40.593 40.800 0.029 0.000 0.961 248 D HN 0.407 nan 8.370 nan 0.000 0.470 249 I N 0.443 121.055 120.570 0.071 0.000 2.361 249 I HA -0.211 3.959 4.170 0.000 0.000 0.251 249 I C 1.975 178.113 176.117 0.036 0.000 1.133 249 I CA 0.701 62.046 61.300 0.075 0.000 1.413 249 I CB -0.057 38.016 38.000 0.122 0.000 1.073 249 I HN -0.045 nan 8.210 nan 0.000 0.424 250 L N 0.279 121.518 121.223 0.027 0.000 2.610 250 L HA 0.038 4.378 4.340 0.000 0.000 0.232 250 L C 2.444 179.238 176.870 -0.127 0.000 1.149 250 L CA 0.351 55.166 54.840 -0.041 0.000 0.872 250 L CB -0.785 41.299 42.059 0.041 0.000 0.992 250 L HN 0.258 nan 8.230 nan 0.000 0.447 251 G N 1.580 110.341 108.800 -0.066 0.000 2.586 251 G HA2 -0.239 3.722 3.960 0.000 0.000 0.218 251 G HA3 -0.239 3.722 3.960 0.000 0.000 0.218 251 G C -0.610 174.219 174.900 -0.118 0.000 1.216 251 G CA 0.851 45.907 45.100 -0.074 0.000 0.786 251 G HN 0.297 nan 8.290 nan 0.000 0.583 252 P HA -0.101 nan 4.420 nan 0.000 0.216 252 P C 1.992 179.184 177.300 -0.179 0.000 1.154 252 P CA 0.660 63.692 63.100 -0.113 0.000 0.865 252 P CB -0.079 31.567 31.700 -0.089 0.000 0.789 253 L N -0.945 120.112 121.223 -0.277 0.000 2.093 253 L HA -0.088 4.253 4.340 0.000 0.000 0.208 253 L C 2.500 179.014 176.870 -0.594 0.000 1.085 253 L CA 1.779 56.347 54.840 -0.454 0.000 0.755 253 L CB -1.769 39.909 42.059 -0.636 0.000 0.904 253 L HN -0.040 nan 8.230 nan 0.000 0.435 254 S N -1.099 114.286 115.700 -0.526 0.000 2.345 254 S HA -0.158 4.313 4.470 0.000 0.000 0.220 254 S C 2.174 176.699 174.600 -0.126 0.000 1.031 254 S CA 1.203 59.227 58.200 -0.293 0.000 0.996 254 S CB -0.222 62.906 63.200 -0.120 0.000 0.882 254 S HN 0.509 nan 8.310 nan 0.000 0.445 255 A N 0.886 123.638 122.820 -0.114 0.000 1.908 255 A HA -0.194 4.127 4.320 0.000 0.000 0.218 255 A C 2.153 179.698 177.584 -0.065 0.000 1.181 255 A CA 1.999 53.996 52.037 -0.068 0.000 0.627 255 A CB -1.037 17.926 19.000 -0.061 0.000 0.818 255 A HN 0.729 nan 8.150 nan 0.000 0.445 256 Q N -0.522 119.223 119.800 -0.093 0.000 2.061 256 Q HA -0.195 4.145 4.340 0.000 0.000 0.204 256 Q C 2.041 178.013 176.000 -0.047 0.000 0.984 256 Q CA 2.573 58.332 55.803 -0.074 0.000 0.846 256 Q CB -0.244 28.437 28.738 -0.095 0.000 0.902 256 Q HN 0.780 nan 8.270 nan 0.000 0.421 257 T N -4.499 110.033 114.554 -0.036 0.000 3.065 257 T HA 0.247 4.598 4.350 0.000 0.000 0.252 257 T C 1.237 175.950 174.700 0.022 0.000 1.099 257 T CA 0.549 62.660 62.100 0.017 0.000 1.063 257 T CB 0.399 69.335 68.868 0.113 0.000 0.948 257 T HN 0.538 nan 8.240 nan 0.000 0.506 258 G N 1.504 110.311 108.800 0.012 0.000 2.153 258 G HA2 -0.207 3.753 3.960 0.000 0.000 0.252 258 G HA3 -0.207 3.753 3.960 0.000 0.000 0.252 258 G C -0.042 174.878 174.900 0.033 0.000 0.994 258 G CA 0.216 45.323 45.100 0.011 0.000 0.698 258 G HN 0.671 nan 8.290 nan 0.000 0.521 259 I N 1.196 121.820 120.570 0.089 0.000 2.355 259 I HA 0.582 4.752 4.170 0.000 0.000 0.288 259 I C 0.875 177.084 176.117 0.153 0.000 0.999 259 I CA -0.674 60.689 61.300 0.106 0.000 1.163 259 I CB 1.634 39.709 38.000 0.124 0.000 1.316 259 I HN 0.267 nan 8.210 nan 0.000 0.454 260 A N 5.521 128.391 122.820 0.085 0.000 2.483 260 A HA 0.222 4.542 4.320 0.000 0.000 0.238 260 A C 1.342 178.996 177.584 0.116 0.000 1.070 260 A CA -0.278 51.808 52.037 0.081 0.000 0.770 260 A CB 0.528 19.553 19.000 0.042 0.000 1.008 260 A HN 0.645 nan 8.150 nan 0.000 0.497 261 V N 2.727 122.715 119.914 0.122 0.000 2.282 261 V HA -0.293 3.827 4.120 0.000 0.000 0.249 261 V C 2.407 178.513 176.094 0.020 0.000 1.057 261 V CA 2.426 64.800 62.300 0.123 0.000 1.032 261 V CB -0.983 30.885 31.823 0.075 0.000 0.645 261 V HN 0.818 nan 8.190 nan 0.000 0.447 262 L N -0.336 120.891 121.223 0.007 0.000 2.201 262 L HA -0.167 4.173 4.340 0.000 0.000 0.212 262 L C 2.294 179.167 176.870 0.005 0.000 1.105 262 L CA 1.313 56.144 54.840 -0.014 0.000 0.775 262 L CB -0.698 41.369 42.059 0.013 0.000 0.913 262 L HN 0.368 nan 8.230 nan 0.000 0.440 263 D N -0.349 120.063 120.400 0.021 0.000 2.117 263 D HA -0.200 4.440 4.640 0.000 0.000 0.198 263 D C 2.047 178.347 176.300 0.000 0.000 0.982 263 D CA 1.140 55.155 54.000 0.026 0.000 0.828 263 D CB -0.009 40.803 40.800 0.019 0.000 0.967 263 D HN 0.147 nan 8.370 nan 0.000 0.464 264 M N 0.094 119.668 119.600 -0.043 0.000 2.175 264 M HA -0.083 4.397 4.480 0.000 0.000 0.264 264 M C 1.901 178.143 176.300 -0.096 0.000 1.063 264 M CA 1.158 56.383 55.300 -0.125 0.000 1.119 264 M CB -0.347 32.067 32.600 -0.310 0.000 1.377 264 M HN 0.015 nan 8.290 nan 0.000 0.415 265 C N -0.078 119.146 119.300 -0.126 0.000 2.422 265 C HA -0.030 4.430 4.460 0.000 0.000 0.279 265 C C 2.860 177.925 174.990 0.125 0.000 1.305 265 C CA 0.795 59.694 59.018 -0.198 0.000 1.757 265 C CB -1.870 25.546 27.740 -0.541 0.000 1.962 265 C HN 0.704 nan 8.230 nan 0.000 0.499 266 A N 0.786 123.665 122.820 0.098 0.000 1.877 266 A HA 0.038 4.358 4.320 0.000 0.000 0.216 266 A C 2.398 180.055 177.584 0.122 0.000 1.186 266 A CA 2.125 54.246 52.037 0.140 0.000 0.620 266 A CB -0.964 18.128 19.000 0.153 0.000 0.822 266 A HN 0.562 nan 8.150 nan 0.000 0.443 267 A N -0.386 122.487 122.820 0.089 0.000 1.883 267 A HA -0.104 4.217 4.320 0.000 0.000 0.217 267 A C 2.243 179.859 177.584 0.053 0.000 1.186 267 A CA 1.566 53.653 52.037 0.084 0.000 0.624 267 A CB -0.669 18.386 19.000 0.091 0.000 0.822 267 A HN 0.551 nan 8.150 nan 0.000 0.444 268 L N -0.496 120.755 121.223 0.046 0.000 2.017 268 L HA -0.224 4.116 4.340 0.000 0.000 0.208 268 L C 2.648 179.506 176.870 -0.019 0.000 1.073 268 L CA 2.334 57.191 54.840 0.027 0.000 0.745 268 L CB -0.372 41.773 42.059 0.143 0.000 0.894 268 L HN 0.567 nan 8.230 nan 0.000 0.432 269 K N 0.070 120.509 120.400 0.066 0.000 2.044 269 K HA -0.319 4.001 4.320 0.000 0.000 0.210 269 K C 1.974 178.499 176.600 -0.125 0.000 1.049 269 K CA 2.278 58.516 56.287 -0.082 0.000 0.927 269 K CB -0.200 32.308 32.500 0.014 0.000 0.713 269 K HN 0.407 nan 8.250 nan 0.000 0.443 270 E N 0.444 120.619 120.200 -0.042 0.000 2.077 270 E HA -0.180 4.170 4.350 0.000 0.000 0.193 270 E C 2.188 178.765 176.600 -0.039 0.000 0.989 270 E CA 1.002 57.388 56.400 -0.024 0.000 0.800 270 E CB -0.038 29.696 29.700 0.057 0.000 0.746 270 E HN 0.349 nan 8.360 nan 0.000 0.452 271 L N 0.506 121.701 121.223 -0.047 0.000 2.017 271 L HA -0.219 4.122 4.340 0.000 0.000 0.208 271 L C 2.551 179.335 176.870 -0.144 0.000 1.073 271 L CA 0.994 55.805 54.840 -0.048 0.000 0.745 271 L CB -0.290 41.727 42.059 -0.070 0.000 0.894 271 L HN 0.275 nan 8.230 nan 0.000 0.432 272 L N -0.982 120.053 121.223 -0.314 0.000 2.201 272 L HA -0.224 4.116 4.340 0.000 0.000 0.212 272 L C 2.537 179.003 176.870 -0.673 0.000 1.105 272 L CA 1.145 55.602 54.840 -0.639 0.000 0.775 272 L CB -0.333 41.121 42.059 -1.007 0.000 0.913 272 L HN 0.386 nan 8.230 nan 0.000 0.440 273 Q N -0.659 118.927 119.800 -0.356 0.000 2.269 273 Q HA -0.021 4.319 4.340 0.000 0.000 0.201 273 Q C 0.987 176.968 176.000 -0.032 0.000 0.946 273 Q CA 0.727 56.449 55.803 -0.135 0.000 0.877 273 Q CB 0.264 28.961 28.738 -0.069 0.000 0.963 273 Q HN 0.466 nan 8.270 nan 0.000 0.472 274 N N -0.497 118.186 118.700 -0.027 0.000 2.177 274 N HA 0.151 4.891 4.740 0.000 0.000 0.218 274 N C 0.201 175.744 175.510 0.055 0.000 1.182 274 N CA 0.786 53.854 53.050 0.031 0.000 0.882 274 N CB 1.590 40.110 38.487 0.055 0.000 1.052 274 N HN 0.202 nan 8.380 nan 0.000 0.519 275 G N 1.492 110.314 108.800 0.038 0.000 2.804 275 G HA2 -0.291 3.669 3.960 0.000 0.000 0.230 275 G HA3 -0.291 3.669 3.960 0.000 0.000 0.230 275 G C 0.415 175.408 174.900 0.155 0.000 1.386 275 G CA -0.011 45.136 45.100 0.077 0.000 0.875 275 G HN 0.216 nan 8.290 nan 0.000 0.557 276 M N 0.663 120.379 119.600 0.193 0.000 2.356 276 M HA 0.203 4.683 4.480 0.000 0.000 0.262 276 M C 0.861 177.234 176.300 0.121 0.000 1.097 276 M CA -0.003 55.498 55.300 0.334 0.000 0.991 276 M CB -0.031 32.820 32.600 0.419 0.000 1.450 276 M HN 0.593 nan 8.290 nan 0.000 0.495 277 N N 2.166 120.907 118.700 0.068 0.000 2.667 277 N HA -0.171 4.569 4.740 0.000 0.000 0.263 277 N C 0.804 176.281 175.510 -0.055 0.000 1.038 277 N CA 1.037 54.086 53.050 -0.002 0.000 0.749 277 N CB -1.465 37.008 38.487 -0.023 0.000 0.892 277 N HN 0.788 nan 8.380 nan 0.000 0.546 278 G N -0.580 108.211 108.800 -0.016 0.000 2.212 278 G HA2 -0.385 3.575 3.960 0.000 0.000 0.267 278 G HA3 -0.385 3.575 3.960 0.000 0.000 0.267 278 G C 0.513 175.369 174.900 -0.073 0.000 1.002 278 G CA 1.175 46.257 45.100 -0.029 0.000 0.729 278 G HN 0.652 nan 8.290 nan 0.000 0.517 279 R N -0.547 119.882 120.500 -0.119 0.000 2.602 279 R HA 0.736 5.076 4.340 0.000 0.000 0.237 279 R C 0.626 176.962 176.300 0.060 0.000 1.219 279 R CA 0.304 56.267 56.100 -0.229 0.000 1.121 279 R CB 0.760 30.546 30.300 -0.858 0.000 1.408 279 R HN 0.407 nan 8.270 nan 0.000 0.559 280 T N -1.900 112.752 114.554 0.163 0.000 2.883 280 T HA 0.613 4.963 4.350 0.000 0.000 0.301 280 T C -0.430 174.556 174.700 0.477 0.000 1.158 280 T CA -0.790 61.489 62.100 0.298 0.000 1.007 280 T CB 1.211 70.186 68.868 0.178 0.000 1.186 280 T HN 0.345 nan 8.240 nan 0.000 0.499 281 I N 2.271 123.052 120.570 0.351 0.000 2.466 281 I HA 0.367 4.537 4.170 0.000 0.000 0.289 281 I C 0.244 176.366 176.117 0.009 0.000 1.026 281 I CA -1.190 60.180 61.300 0.117 0.000 1.078 281 I CB 1.791 39.623 38.000 -0.279 0.000 1.249 281 I HN 0.796 nan 8.210 nan 0.000 0.429 282 L N 6.481 127.664 121.223 -0.067 0.000 3.781 282 L HA -0.309 4.031 4.340 0.000 0.000 0.426 282 L C 1.210 178.178 176.870 0.163 0.000 1.197 282 L CA 0.862 55.696 54.840 -0.010 0.000 0.907 282 L CB -1.606 40.369 42.059 -0.140 0.000 1.812 282 L HN 1.182 nan 8.230 nan 0.000 0.956 283 G N -1.176 107.719 108.800 0.158 0.000 2.184 283 G HA2 -0.332 3.628 3.960 0.000 0.000 0.264 283 G HA3 -0.332 3.628 3.960 0.000 0.000 0.264 283 G C 0.237 175.257 174.900 0.200 0.000 0.975 283 G CA 0.592 45.789 45.100 0.162 0.000 0.642 283 G HN 0.644 nan 8.290 nan 0.000 0.536 284 S N -0.440 115.434 115.700 0.291 0.000 2.565 284 S HA 0.655 5.125 4.470 0.000 0.000 0.290 284 S C 1.301 176.068 174.600 0.279 0.000 1.150 284 S CA 0.815 59.194 58.200 0.298 0.000 1.058 284 S CB 1.422 64.876 63.200 0.424 0.000 1.032 284 S HN 1.074 nan 8.310 nan 0.000 0.510 285 T N 1.612 116.281 114.554 0.191 0.000 3.145 285 T HA 0.381 4.731 4.350 0.000 0.000 0.255 285 T C 0.274 175.065 174.700 0.153 0.000 1.039 285 T CA -0.269 61.935 62.100 0.174 0.000 0.928 285 T CB -1.155 67.781 68.868 0.114 0.000 1.029 285 T HN 0.642 nan 8.240 nan 0.000 0.554 286 I N -2.285 118.369 120.570 0.140 0.000 2.969 286 I HA 0.616 4.786 4.170 0.000 0.000 0.307 286 I C -1.108 175.008 176.117 -0.002 0.000 1.149 286 I CA -1.924 59.415 61.300 0.064 0.000 1.008 286 I CB 1.911 39.908 38.000 -0.005 0.000 1.232 286 I HN -0.172 nan 8.210 nan 0.000 0.435 287 L N 3.283 124.478 121.223 -0.047 0.000 2.315 287 L HA 0.401 4.741 4.340 0.000 0.000 0.283 287 L C 0.271 176.818 176.870 -0.538 0.000 1.089 287 L CA -0.197 54.524 54.840 -0.198 0.000 0.833 287 L CB 0.315 42.412 42.059 0.065 0.000 1.170 287 L HN 0.608 nan 8.230 nan 0.000 0.442 288 E N 3.500 122.921 120.200 -1.299 0.000 2.259 288 E HA 0.048 4.398 4.350 0.000 0.000 0.281 288 E C -0.252 175.973 176.600 -0.625 0.000 1.027 288 E CA -0.123 55.683 56.400 -0.990 0.000 0.838 288 E CB 1.521 30.465 29.700 -1.259 0.000 1.066 288 E HN 0.572 nan 8.360 nan 0.000 0.401 289 D N 2.214 122.402 120.400 -0.355 0.000 2.538 289 D HA 0.015 4.655 4.640 0.000 0.000 0.231 289 D C -0.011 176.183 176.300 -0.176 0.000 1.229 289 D CA -0.037 53.835 54.000 -0.212 0.000 0.828 289 D CB 0.108 40.773 40.800 -0.226 0.000 1.035 289 D HN 0.308 nan 8.370 nan 0.000 0.495 290 E N 0.177 120.234 120.200 -0.239 0.000 2.499 290 E HA 0.181 4.532 4.350 0.000 0.000 0.207 290 E C -0.781 175.541 176.600 -0.464 0.000 1.034 290 E CA -0.278 55.916 56.400 -0.343 0.000 1.098 290 E CB 0.199 29.642 29.700 -0.429 0.000 1.148 290 E HN 0.212 nan 8.360 nan 0.000 0.447 291 F N 0.990 120.929 119.950 -0.018 0.000 2.496 291 F HA 0.135 4.663 4.527 0.000 0.000 0.341 291 F C 0.873 176.735 175.800 0.103 0.000 1.134 291 F CA -1.013 57.046 58.000 0.099 0.000 0.968 291 F CB 1.513 40.688 39.000 0.291 0.000 1.205 291 F HN -0.177 nan 8.300 nan 0.000 0.436 292 T N 0.321 115.028 114.554 0.255 0.000 2.828 292 T HA 0.235 4.586 4.350 0.000 0.000 0.290 292 T C -2.039 172.815 174.700 0.257 0.000 1.019 292 T CA -1.641 60.581 62.100 0.203 0.000 1.031 292 T CB 1.394 70.365 68.868 0.172 0.000 1.001 292 T HN 0.223 nan 8.240 nan 0.000 0.531 293 P HA -0.004 nan 4.420 nan 0.000 0.216 293 P C 1.203 178.618 177.300 0.191 0.000 1.150 293 P CA 0.679 63.880 63.100 0.169 0.000 0.837 293 P CB -0.123 31.653 31.700 0.126 0.000 0.786 294 F N 0.837 120.840 119.950 0.088 0.000 2.095 294 F HA -0.226 4.302 4.527 0.000 0.000 0.298 294 F C 1.776 177.643 175.800 0.111 0.000 1.104 294 F CA 1.708 59.760 58.000 0.086 0.000 1.232 294 F CB -0.493 38.558 39.000 0.085 0.000 0.987 294 F HN -0.143 nan 8.300 nan 0.000 0.475 295 D N -0.165 120.475 120.400 0.399 0.000 2.104 295 D HA -0.177 4.464 4.640 0.000 0.000 0.194 295 D C 2.510 178.979 176.300 0.282 0.000 0.994 295 D CA 1.653 55.850 54.000 0.328 0.000 0.830 295 D CB -0.738 40.292 40.800 0.382 0.000 0.959 295 D HN 0.210 nan 8.370 nan 0.000 0.452 296 V N 0.700 120.792 119.914 0.297 0.000 2.343 296 V HA -0.195 3.925 4.120 0.000 0.000 0.247 296 V C 2.677 178.846 176.094 0.124 0.000 1.051 296 V CA 0.972 63.429 62.300 0.261 0.000 1.036 296 V CB -0.424 31.473 31.823 0.123 0.000 0.654 296 V HN 0.050 nan 8.190 nan 0.000 0.451 297 V N -0.030 119.899 119.914 0.024 0.000 2.261 297 V HA -0.301 3.820 4.120 0.000 0.000 0.246 297 V C 2.589 178.645 176.094 -0.064 0.000 1.047 297 V CA 2.519 64.781 62.300 -0.064 0.000 1.015 297 V CB -0.772 30.953 31.823 -0.164 0.000 0.642 297 V HN 0.494 nan 8.190 nan 0.000 0.446 298 R N -0.339 120.108 120.500 -0.088 0.000 2.096 298 R HA -0.278 4.062 4.340 0.000 0.000 0.240 298 R C 2.445 178.746 176.300 0.001 0.000 1.139 298 R CA 2.501 58.567 56.100 -0.056 0.000 0.952 298 R CB -0.281 30.014 30.300 -0.010 0.000 0.854 298 R HN 0.648 nan 8.270 nan 0.000 0.436 299 Q N -0.829 118.997 119.800 0.043 0.000 2.137 299 Q HA -0.107 4.233 4.340 0.000 0.000 0.198 299 Q C 1.884 177.933 176.000 0.083 0.000 0.960 299 Q CA 1.578 57.408 55.803 0.046 0.000 0.847 299 Q CB 0.184 28.925 28.738 0.005 0.000 0.915 299 Q HN 0.456 nan 8.270 nan 0.000 0.448 300 C N -0.587 118.782 119.300 0.115 0.000 2.684 300 C HA 0.221 4.682 4.460 0.000 0.000 0.283 300 C C 1.445 176.447 174.990 0.020 0.000 1.346 300 C CA 0.218 59.282 59.018 0.077 0.000 1.707 300 C CB -0.251 27.520 27.740 0.051 0.000 2.137 300 C HN 0.676 nan 8.230 nan 0.000 0.544 301 S N 0.000 115.697 115.700 -0.005 0.000 2.498 301 S HA 0.000 4.470 4.470 0.000 0.000 0.327 301 S CA 0.000 58.184 58.200 -0.027 0.000 1.107 301 S CB 0.000 63.181 63.200 -0.031 0.000 0.593 301 S HN 0.000 nan 8.310 nan 0.000 0.517