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 3i26_1_A DATA FIRST_RESID 16 DATA SEQUENCE TPVTPYYGPG HITFDWCGFG DSRSDcTNPQ SPMSLDIPQQ LcPKFSSKSS DATA SEQUENCE SSMFLSLHWN NHSSFVSYDY FNcGVEKVFY EGVNFSPRKQ YScWDEGVDG DATA SEQUENCE WIELKTRFYT KLYQMATTSR cIKLIQLQAP SSLPTLQAGV cRTNKQLPDN DATA SEQUENCE PRLALLSDTV PTSVQFVLPG SSGTTIcTKH LVPFcYLNHG cFTTGGScLP DATA SEQUENCE FGVSYVSDSF YYGYYDATPX XXXTESHDYV cDYLFMEPGT YNASTVGKFL DATA SEQUENCE VYPTKSYcMD TMNITVPVQA VQSIWSEQYA SDDAIGQAcK APYcIFYNKT DATA SEQUENCE TPYTVTNGSD ANHGDDEVRM MMQGLLRNSS cISPQGSTPL ALYSTEMIYE DATA SEQUENCE PNYGScPQFY KLFDTSGNE 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 16 T HA 0.000 nan 4.350 nan 0.000 0.228 16 T C 0.000 174.714 174.700 0.023 0.000 1.109 16 T CA 0.000 62.107 62.100 0.012 0.000 1.349 16 T CB 0.000 68.867 68.868 -0.003 0.000 0.612 17 P HA 0.527 nan 4.420 nan 0.000 0.272 17 P C -0.441 176.865 177.300 0.011 0.000 1.223 17 P CA -0.484 62.645 63.100 0.047 0.000 0.784 17 P CB 0.549 32.247 31.700 -0.005 0.000 0.923 18 V N -1.869 118.058 119.914 0.022 0.000 3.102 18 V HA 0.823 4.947 4.120 0.006 0.000 0.312 18 V C -0.689 175.423 176.094 0.030 0.000 1.135 18 V CA -0.577 61.732 62.300 0.016 0.000 1.022 18 V CB 2.098 33.926 31.823 0.009 0.000 1.056 18 V HN 0.474 nan 8.190 nan 0.000 0.436 19 T N 2.969 117.544 114.554 0.035 0.000 2.879 19 T HA 0.611 4.965 4.350 0.006 0.000 0.290 19 T C -2.875 171.865 174.700 0.066 0.000 0.993 19 T CA -0.978 61.151 62.100 0.049 0.000 0.975 19 T CB 1.743 70.632 68.868 0.036 0.000 0.981 19 T HN 0.740 nan 8.240 nan 0.000 0.439 20 P HA 0.114 nan 4.420 nan 0.000 0.268 20 P C -1.248 176.107 177.300 0.092 0.000 1.204 20 P CA -0.301 62.847 63.100 0.079 0.000 0.768 20 P CB 0.228 31.976 31.700 0.081 0.000 0.842 21 Y N 3.603 123.898 120.300 -0.007 0.000 2.383 21 Y HA 0.262 4.816 4.550 0.006 0.000 0.344 21 Y C -0.374 175.510 175.900 -0.026 0.000 0.986 21 Y CA -0.822 57.267 58.100 -0.019 0.000 1.175 21 Y CB 0.189 38.607 38.460 -0.069 0.000 1.152 21 Y HN 0.342 nan 8.280 nan 0.000 0.511 22 Y N 6.298 126.245 120.300 -0.590 0.000 2.587 22 Y HA 0.464 5.017 4.550 0.006 0.000 0.344 22 Y C 0.378 176.033 175.900 -0.408 0.000 1.061 22 Y CA 0.979 58.855 58.100 -0.373 0.000 1.370 22 Y CB -0.238 38.041 38.460 -0.301 0.000 1.163 22 Y HN 0.854 nan 8.280 nan 0.000 0.527 23 G N 6.133 114.288 108.800 -1.076 0.000 2.361 23 G HA2 0.073 4.037 3.960 0.006 0.000 0.305 23 G HA3 0.073 4.037 3.960 0.006 0.000 0.305 23 G C -3.406 170.748 174.900 -1.245 0.000 1.367 23 G CA -1.224 43.217 45.100 -1.099 0.000 0.951 23 G HN 0.402 nan 8.290 nan 0.000 0.615 24 P HA 0.575 nan 4.420 nan 0.000 0.275 24 P C 0.437 177.534 177.300 -0.339 0.000 1.266 24 P CA 0.527 63.243 63.100 -0.640 0.000 0.793 24 P CB 1.652 33.180 31.700 -0.288 0.000 1.074 25 G N -0.659 108.006 108.800 -0.225 0.000 2.600 25 G HA2 0.622 4.586 3.960 0.006 0.000 0.293 25 G HA3 0.622 4.586 3.960 0.006 0.000 0.293 25 G C -2.016 172.742 174.900 -0.237 0.000 1.408 25 G CA -0.737 44.209 45.100 -0.257 0.000 0.782 25 G HN 0.902 nan 8.290 nan 0.000 0.482 26 H N -2.092 116.732 119.070 -0.409 0.000 2.894 26 H HA 0.652 5.212 4.556 0.006 0.000 0.367 26 H C -0.102 175.123 175.328 -0.171 0.000 1.144 26 H CA -1.042 54.798 56.048 -0.346 0.000 1.180 26 H CB 1.713 30.991 29.762 -0.806 0.000 1.758 26 H HN 0.296 nan 8.280 nan 0.000 0.541 27 I N 1.099 121.647 120.570 -0.036 0.000 2.867 27 I HA 0.022 4.196 4.170 0.006 0.000 0.265 27 I C 0.783 176.959 176.117 0.098 0.000 1.162 27 I CA 0.960 62.247 61.300 -0.023 0.000 1.471 27 I CB 0.326 38.374 38.000 0.079 0.000 1.123 27 I HN 0.837 nan 8.210 nan 0.000 0.440 28 T N -2.407 112.311 114.554 0.274 0.000 2.910 28 T HA 0.253 4.607 4.350 0.006 0.000 0.287 28 T C 0.638 175.676 174.700 0.563 0.000 1.050 28 T CA -0.683 61.642 62.100 0.376 0.000 1.011 28 T CB 1.380 70.456 68.868 0.346 0.000 1.195 28 T HN 0.157 nan 8.240 nan 0.000 0.540 29 F N -0.070 120.047 119.950 0.278 0.000 2.451 29 F HA 0.232 4.763 4.527 0.007 0.000 0.299 29 F C 0.680 176.596 175.800 0.194 0.000 1.101 29 F CA 0.258 58.406 58.000 0.247 0.000 1.436 29 F CB -0.671 38.406 39.000 0.128 0.000 1.074 29 F HN 0.462 nan 8.300 nan 0.000 0.553 30 D N 2.678 122.854 120.400 -0.374 0.000 2.639 30 D HA 0.085 4.729 4.640 0.006 0.000 0.233 30 D C -0.710 175.514 176.300 -0.127 0.000 1.161 30 D CA -0.216 53.423 54.000 -0.600 0.000 1.003 30 D CB -0.409 40.088 40.800 -0.506 0.000 1.034 30 D HN 0.503 nan 8.370 nan 0.000 0.514 31 W N 2.215 123.322 121.300 -0.322 0.000 3.029 31 W HA 0.618 5.282 4.660 0.006 0.000 0.339 31 W C -1.279 175.039 176.519 -0.336 0.000 1.198 31 W CA -1.231 55.963 57.345 -0.250 0.000 1.148 31 W CB 0.314 29.663 29.460 -0.184 0.000 1.451 31 W HN 0.223 nan 8.180 nan 0.000 0.564 32 C N 0.214 119.322 119.300 -0.321 0.000 3.318 32 C HA 0.984 5.448 4.460 0.006 0.000 0.322 32 C C -0.075 174.490 174.990 -0.710 0.000 1.398 32 C CA -0.049 58.497 59.018 -0.786 0.000 1.339 32 C CB 1.489 28.802 27.740 -0.711 0.000 1.668 32 C HN 1.200 nan 8.230 nan 0.000 0.462 33 G N 0.003 108.079 108.800 -1.207 0.000 2.533 33 G HA2 0.821 4.785 3.960 0.006 0.000 0.304 33 G HA3 0.821 4.785 3.960 0.006 0.000 0.304 33 G C -1.813 172.411 174.900 -1.127 0.000 1.263 33 G CA -0.558 43.660 45.100 -1.470 0.000 0.964 33 G HN 0.665 nan 8.290 nan 0.000 0.479 34 F N 0.035 119.836 119.950 -0.249 0.000 2.529 34 F HA 0.768 5.300 4.527 0.008 0.000 0.320 34 F C 0.708 176.820 175.800 0.520 0.000 1.118 34 F CA -0.162 57.948 58.000 0.184 0.000 0.915 34 F CB 2.785 41.775 39.000 -0.016 0.000 1.161 34 F HN 0.835 nan 8.300 nan 0.000 0.445 35 G N 1.350 110.629 108.800 0.798 0.000 2.731 35 G HA2 0.576 4.540 3.960 0.006 0.000 0.309 35 G HA3 0.576 4.540 3.960 0.006 0.000 0.309 35 G C -1.920 173.251 174.900 0.451 0.000 1.273 35 G CA -0.558 44.890 45.100 0.580 0.000 0.798 35 G HN 0.532 nan 8.290 nan 0.000 0.509 36 D N -2.582 117.938 120.400 0.200 0.000 3.096 36 D HA 0.371 5.015 4.640 0.006 0.000 0.277 36 D C 1.857 178.179 176.300 0.036 0.000 1.256 36 D CA 0.788 54.853 54.000 0.109 0.000 1.044 36 D CB -0.028 40.803 40.800 0.052 0.000 1.318 36 D HN 0.636 nan 8.370 nan 0.000 0.622 37 S N -0.523 115.205 115.700 0.046 0.000 2.402 37 S HA -0.255 4.219 4.470 0.006 0.000 0.233 37 S C 1.613 176.292 174.600 0.132 0.000 1.030 37 S CA 1.111 59.371 58.200 0.099 0.000 1.003 37 S CB -0.657 62.705 63.200 0.270 0.000 0.813 37 S HN 0.465 nan 8.310 nan 0.000 0.477 38 R N 1.548 122.116 120.500 0.112 0.000 2.323 38 R HA 0.137 4.481 4.340 0.006 0.000 0.198 38 R C 1.015 177.368 176.300 0.089 0.000 0.988 38 R CA 0.920 57.119 56.100 0.165 0.000 1.041 38 R CB -0.083 30.323 30.300 0.177 0.000 0.926 38 R HN 0.681 nan 8.270 nan 0.000 0.476 39 S N -1.217 114.478 115.700 -0.009 0.000 3.021 39 S HA 0.105 4.579 4.470 0.006 0.000 0.252 39 S C -0.629 173.913 174.600 -0.096 0.000 0.996 39 S CA -0.790 57.305 58.200 -0.174 0.000 1.084 39 S CB 0.508 63.378 63.200 -0.549 0.000 1.021 39 S HN -0.033 nan 8.310 nan 0.000 0.566 40 D N 0.956 121.333 120.400 -0.037 0.000 2.454 40 D HA 0.373 5.017 4.640 0.006 0.000 0.225 40 D C 0.519 176.799 176.300 -0.032 0.000 1.081 40 D CA -0.594 53.382 54.000 -0.040 0.000 0.864 40 D CB 0.853 41.617 40.800 -0.060 0.000 1.040 40 D HN 0.171 nan 8.370 nan 0.000 0.517 41 c N 2.108 120.692 118.600 -0.025 0.000 2.491 41 c HA -0.057 4.516 4.570 0.006 0.000 0.277 41 c C 2.406 176.484 174.090 -0.020 0.000 1.455 41 c CA 1.275 57.593 56.329 -0.018 0.000 1.758 41 c CB -1.345 41.160 42.510 -0.008 0.000 1.745 41 c HN 0.778 nan 8.230 nan 0.000 0.558 42 T N -1.660 112.876 114.554 -0.028 0.000 3.067 42 T HA -0.065 4.289 4.350 0.006 0.000 0.261 42 T C 0.739 175.418 174.700 -0.035 0.000 1.110 42 T CA 0.267 62.350 62.100 -0.029 0.000 1.113 42 T CB -0.480 68.368 68.868 -0.032 0.000 0.917 42 T HN 0.501 nan 8.240 nan 0.000 0.499 43 N N 3.149 121.824 118.700 -0.043 0.000 2.359 43 N HA 0.026 4.770 4.740 0.006 0.000 0.261 43 N C -1.743 173.739 175.510 -0.046 0.000 1.267 43 N CA -1.207 51.811 53.050 -0.053 0.000 0.864 43 N CB 1.410 39.857 38.487 -0.065 0.000 1.063 43 N HN 0.061 nan 8.380 nan 0.000 0.474 44 P HA -0.146 nan 4.420 nan 0.000 0.217 44 P C 0.603 177.881 177.300 -0.037 0.000 1.148 44 P CA 1.286 64.364 63.100 -0.037 0.000 0.834 44 P CB 0.307 31.985 31.700 -0.037 0.000 0.783 45 Q N -1.049 118.719 119.800 -0.054 0.000 2.365 45 Q HA 0.115 4.459 4.340 0.006 0.000 0.203 45 Q C 0.635 176.617 176.000 -0.030 0.000 0.929 45 Q CA 0.167 55.942 55.803 -0.047 0.000 0.948 45 Q CB -0.325 28.369 28.738 -0.072 0.000 1.043 45 Q HN 0.160 nan 8.270 nan 0.000 0.505 46 S N 2.584 118.269 115.700 -0.027 0.000 2.562 46 S HA 0.141 4.615 4.470 0.006 0.000 0.281 46 S C -1.503 173.095 174.600 -0.003 0.000 1.333 46 S CA -0.984 57.210 58.200 -0.011 0.000 1.052 46 S CB 0.731 63.923 63.200 -0.013 0.000 0.884 46 S HN 0.090 nan 8.310 nan 0.000 0.506 47 P HA 0.172 nan 4.420 nan 0.000 0.261 47 P C 0.685 178.000 177.300 0.026 0.000 1.268 47 P CA 0.145 63.253 63.100 0.013 0.000 0.833 47 P CB 0.075 31.782 31.700 0.012 0.000 1.231 48 M N 0.500 120.114 119.600 0.024 0.000 2.374 48 M HA -0.082 4.402 4.480 0.006 0.000 0.264 48 M C 1.854 178.196 176.300 0.070 0.000 1.067 48 M CA 1.679 57.004 55.300 0.041 0.000 1.103 48 M CB -0.983 31.636 32.600 0.031 0.000 1.402 48 M HN -0.028 nan 8.290 nan 0.000 0.444 49 S N -0.807 114.926 115.700 0.054 0.000 2.593 49 S HA 0.249 4.723 4.470 0.006 0.000 0.217 49 S C 0.577 175.281 174.600 0.172 0.000 0.966 49 S CA -0.257 57.999 58.200 0.093 0.000 0.914 49 S CB -0.521 62.639 63.200 -0.067 0.000 0.776 49 S HN 0.332 nan 8.310 nan 0.000 0.523 50 L N 1.785 123.075 121.223 0.111 0.000 2.375 50 L HA 0.397 4.741 4.340 0.006 0.000 0.271 50 L C 0.484 177.423 176.870 0.115 0.000 1.107 50 L CA -0.495 54.403 54.840 0.096 0.000 0.806 50 L CB 0.754 42.834 42.059 0.035 0.000 1.146 50 L HN 0.035 nan 8.230 nan 0.000 0.447 51 D N 1.298 121.774 120.400 0.126 0.000 2.407 51 D HA 0.193 4.837 4.640 0.006 0.000 0.208 51 D C 0.275 176.570 176.300 -0.009 0.000 1.083 51 D CA 0.272 54.327 54.000 0.091 0.000 0.844 51 D CB 0.502 41.425 40.800 0.205 0.000 0.967 51 D HN 0.403 nan 8.370 nan 0.000 0.506 52 I N -2.316 118.233 120.570 -0.035 0.000 2.822 52 I HA 0.551 4.725 4.170 0.006 0.000 0.312 52 I C -2.557 173.545 176.117 -0.024 0.000 1.011 52 I CA -2.670 58.589 61.300 -0.068 0.000 1.105 52 I CB 1.233 39.123 38.000 -0.184 0.000 1.291 52 I HN -0.409 nan 8.210 nan 0.000 0.474 53 P HA 0.006 nan 4.420 nan 0.000 0.264 53 P C 0.150 177.464 177.300 0.023 0.000 1.193 53 P CA 0.084 63.197 63.100 0.021 0.000 0.763 53 P CB 0.717 32.442 31.700 0.042 0.000 0.810 54 Q N 3.867 123.677 119.800 0.017 0.000 2.152 54 Q HA -0.287 4.057 4.340 0.006 0.000 0.206 54 Q C 1.616 177.632 176.000 0.027 0.000 0.985 54 Q CA 1.542 57.353 55.803 0.014 0.000 0.863 54 Q CB -0.078 28.668 28.738 0.012 0.000 0.904 54 Q HN 0.485 nan 8.270 nan 0.000 0.422 55 Q N -0.213 119.610 119.800 0.039 0.000 2.488 55 Q HA -0.108 4.236 4.340 0.006 0.000 0.211 55 Q C 1.434 177.478 176.000 0.075 0.000 0.967 55 Q CA 0.837 56.669 55.803 0.049 0.000 0.926 55 Q CB -0.004 28.764 28.738 0.050 0.000 0.992 55 Q HN 0.508 nan 8.270 nan 0.000 0.506 56 L N -0.165 121.121 121.223 0.105 0.000 2.607 56 L HA 0.076 4.420 4.340 0.006 0.000 0.228 56 L C 2.080 179.055 176.870 0.174 0.000 1.123 56 L CA -0.405 54.544 54.840 0.182 0.000 0.890 56 L CB -0.148 42.102 42.059 0.319 0.000 1.103 56 L HN 0.246 nan 8.230 nan 0.000 0.468 57 c N 1.476 120.126 118.600 0.083 0.000 2.391 57 c HA -0.129 4.445 4.570 0.006 0.000 0.276 57 c C 0.169 174.301 174.090 0.069 0.000 1.217 57 c CA 1.052 57.420 56.329 0.065 0.000 1.766 57 c CB -1.304 41.217 42.510 0.019 0.000 2.046 57 c HN 0.386 nan 8.230 nan 0.000 0.475 58 P HA -0.055 nan 4.420 nan 0.000 0.230 58 P C 1.231 178.444 177.300 -0.144 0.000 1.158 58 P CA 1.189 64.261 63.100 -0.047 0.000 0.769 58 P CB -0.177 31.491 31.700 -0.053 0.000 0.807 59 K N -1.516 118.776 120.400 -0.179 0.000 2.400 59 K HA 0.143 4.466 4.320 0.006 0.000 0.194 59 K C 0.317 176.575 176.600 -0.570 0.000 1.033 59 K CA 0.225 56.190 56.287 -0.537 0.000 1.021 59 K CB -0.115 31.827 32.500 -0.929 0.000 0.808 59 K HN 0.236 nan 8.250 nan 0.000 0.505 60 F N 0.061 119.831 119.950 -0.301 0.000 2.458 60 F HA 0.218 4.749 4.527 0.006 0.000 0.330 60 F C 0.569 176.276 175.800 -0.156 0.000 1.082 60 F CA -0.811 57.061 58.000 -0.214 0.000 0.995 60 F CB 1.823 40.793 39.000 -0.051 0.000 1.170 60 F HN -0.356 nan 8.300 nan 0.000 0.478 61 S N 2.339 118.045 115.700 0.011 0.000 2.520 61 S HA 0.698 5.171 4.470 0.006 0.000 0.324 61 S C -0.998 173.870 174.600 0.446 0.000 1.069 61 S CA -0.176 58.148 58.200 0.207 0.000 1.121 61 S CB 0.032 63.322 63.200 0.151 0.000 0.971 61 S HN 0.574 nan 8.310 nan 0.000 0.463 62 S N 3.410 119.243 115.700 0.222 0.000 2.536 62 S HA 0.634 5.108 4.470 0.006 0.000 0.271 62 S C -1.366 172.944 174.600 -0.484 0.000 1.134 62 S CA -0.870 57.369 58.200 0.065 0.000 0.897 62 S CB 1.883 65.173 63.200 0.149 0.000 1.094 62 S HN 0.663 nan 8.310 nan 0.000 0.473 63 K N 1.196 121.272 120.400 -0.540 0.000 2.513 63 K HA 0.530 4.854 4.320 0.006 0.000 0.251 63 K C -0.768 175.718 176.600 -0.189 0.000 0.939 63 K CA -0.308 55.633 56.287 -0.578 0.000 0.793 63 K CB 1.525 33.417 32.500 -1.013 0.000 1.241 63 K HN 0.542 nan 8.250 nan 0.000 0.431 64 S N 2.263 117.891 115.700 -0.120 0.000 2.563 64 S HA 0.039 4.513 4.470 0.006 0.000 0.294 64 S C 0.169 174.773 174.600 0.007 0.000 1.279 64 S CA 1.032 59.218 58.200 -0.024 0.000 1.069 64 S CB 0.083 63.266 63.200 -0.028 0.000 0.828 64 S HN 0.788 nan 8.310 nan 0.000 0.497 65 S N 0.479 116.213 115.700 0.057 0.000 2.857 65 S HA -0.168 4.306 4.470 0.006 0.000 0.268 65 S C 0.434 175.096 174.600 0.104 0.000 1.297 65 S CA 1.245 59.489 58.200 0.074 0.000 1.280 65 S CB -1.113 62.114 63.200 0.046 0.000 1.562 65 S HN 0.733 nan 8.310 nan 0.000 0.661 66 S N 0.593 116.376 115.700 0.138 0.000 2.730 66 S HA 0.831 5.305 4.470 0.006 0.000 0.284 66 S C -0.082 174.738 174.600 0.367 0.000 1.153 66 S CA 0.329 58.687 58.200 0.264 0.000 0.995 66 S CB 1.591 64.968 63.200 0.296 0.000 1.058 66 S HN 0.935 nan 8.310 nan 0.000 0.552 67 S N 1.080 117.072 115.700 0.487 0.000 2.638 67 S HA 0.431 4.904 4.470 0.006 0.000 0.274 67 S C 0.641 175.524 174.600 0.472 0.000 1.157 67 S CA -0.816 57.686 58.200 0.503 0.000 0.826 67 S CB 0.834 64.313 63.200 0.465 0.000 1.139 67 S HN 0.633 nan 8.310 nan 0.000 0.474 68 M N 0.239 119.969 119.600 0.216 0.000 2.175 68 M HA 0.087 4.571 4.480 0.006 0.000 0.264 68 M C 1.646 177.967 176.300 0.036 0.000 1.063 68 M CA 1.475 56.813 55.300 0.063 0.000 1.119 68 M CB -0.486 32.104 32.600 -0.016 0.000 1.377 68 M HN 0.760 nan 8.290 nan 0.000 0.415 69 F N 1.386 121.193 119.950 -0.238 0.000 2.075 69 F HA -0.197 4.334 4.527 0.006 0.000 0.297 69 F C 2.076 177.749 175.800 -0.211 0.000 1.113 69 F CA 1.551 59.133 58.000 -0.697 0.000 1.218 69 F CB -0.606 38.209 39.000 -0.309 0.000 0.984 69 F HN -0.026 nan 8.300 nan 0.000 0.472 70 L N -0.546 120.733 121.223 0.093 0.000 2.042 70 L HA -0.253 4.091 4.340 0.006 0.000 0.210 70 L C 2.345 179.378 176.870 0.272 0.000 1.076 70 L CA 2.090 57.087 54.840 0.261 0.000 0.749 70 L CB -0.655 41.655 42.059 0.420 0.000 0.893 70 L HN 0.116 nan 8.230 nan 0.000 0.432 71 S N -0.290 115.552 115.700 0.236 0.000 2.423 71 S HA -0.128 4.346 4.470 0.006 0.000 0.231 71 S C 1.660 176.248 174.600 -0.019 0.000 1.014 71 S CA 1.170 59.497 58.200 0.213 0.000 0.965 71 S CB -0.266 63.182 63.200 0.412 0.000 0.785 71 S HN 0.406 nan 8.310 nan 0.000 0.495 72 L N 1.249 122.348 121.223 -0.207 0.000 2.056 72 L HA -0.029 4.315 4.340 0.006 0.000 0.207 72 L C 1.956 178.530 176.870 -0.492 0.000 1.078 72 L CA 1.928 56.517 54.840 -0.418 0.000 0.749 72 L CB -0.500 41.203 42.059 -0.593 0.000 0.901 72 L HN 0.301 nan 8.230 nan 0.000 0.433 73 H N -2.330 116.438 119.070 -0.503 0.000 2.520 73 H HA 0.089 4.649 4.556 0.006 0.000 0.279 73 H C -0.239 174.551 175.328 -0.896 0.000 0.990 73 H CA 0.410 55.962 56.048 -0.826 0.000 1.288 73 H CB 0.219 29.126 29.762 -1.425 0.000 1.446 73 H HN 0.268 nan 8.280 nan 0.000 0.538 74 W N 1.567 122.774 121.300 -0.154 0.000 2.819 74 W HA 0.240 4.904 4.660 0.006 0.000 0.337 74 W C -0.035 176.448 176.519 -0.059 0.000 1.077 74 W CA -0.770 56.481 57.345 -0.156 0.000 1.226 74 W CB 1.189 30.461 29.460 -0.314 0.000 1.419 74 W HN -0.068 nan 8.180 nan 0.000 0.502 75 N N 1.274 120.075 118.700 0.169 0.000 2.443 75 N HA 0.137 4.881 4.740 0.006 0.000 0.294 75 N C -0.052 175.466 175.510 0.013 0.000 1.289 75 N CA -0.328 52.756 53.050 0.055 0.000 0.966 75 N CB 0.076 38.537 38.487 -0.043 0.000 1.122 75 N HN 0.246 nan 8.380 nan 0.000 0.569 76 N N 1.128 119.754 118.700 -0.124 0.000 2.497 76 N HA 0.097 4.841 4.740 0.006 0.000 0.268 76 N C -0.456 174.785 175.510 -0.449 0.000 1.171 76 N CA 0.562 53.536 53.050 -0.127 0.000 0.948 76 N CB 0.211 38.653 38.487 -0.075 0.000 1.069 76 N HN 0.388 nan 8.380 nan 0.000 0.460 77 H N -1.070 118.082 119.070 0.137 0.000 2.942 77 H HA 0.142 4.702 4.556 0.006 0.000 0.316 77 H C 0.976 176.377 175.328 0.121 0.000 1.323 77 H CA -0.484 55.638 56.048 0.122 0.000 1.144 77 H CB 0.846 30.688 29.762 0.133 0.000 1.866 77 H HN 0.475 nan 8.280 nan 0.000 0.545 78 S N 0.019 115.855 115.700 0.226 0.000 2.374 78 S HA -0.147 4.327 4.470 0.006 0.000 0.227 78 S C 1.419 176.056 174.600 0.062 0.000 1.037 78 S CA 1.825 60.090 58.200 0.108 0.000 1.024 78 S CB -0.276 62.966 63.200 0.070 0.000 0.861 78 S HN 0.416 nan 8.310 nan 0.000 0.456 79 S N 0.423 116.171 115.700 0.080 0.000 2.577 79 S HA 0.452 4.925 4.470 0.006 0.000 0.219 79 S C -0.700 173.635 174.600 -0.441 0.000 0.962 79 S CA -0.422 57.666 58.200 -0.186 0.000 0.921 79 S CB -0.124 62.881 63.200 -0.324 0.000 0.789 79 S HN 0.461 nan 8.310 nan 0.000 0.497 80 F N 1.045 120.963 119.950 -0.053 0.000 2.553 80 F HA 0.410 4.941 4.527 0.006 0.000 0.335 80 F C -0.419 175.397 175.800 0.027 0.000 1.148 80 F CA -0.941 57.027 58.000 -0.053 0.000 0.963 80 F CB 1.417 40.369 39.000 -0.080 0.000 1.217 80 F HN -0.296 nan 8.300 nan 0.000 0.441 81 V N 2.810 122.815 119.914 0.153 0.000 2.320 81 V HA 0.285 4.409 4.120 0.006 0.000 0.265 81 V C 0.149 176.365 176.094 0.203 0.000 1.048 81 V CA -0.323 62.060 62.300 0.139 0.000 0.865 81 V CB 1.002 32.873 31.823 0.080 0.000 1.043 81 V HN 0.747 nan 8.190 nan 0.000 0.474 82 S N 4.963 120.785 115.700 0.203 0.000 2.508 82 S HA 0.620 5.094 4.470 0.006 0.000 0.284 82 S C -1.018 173.719 174.600 0.228 0.000 1.192 82 S CA -0.361 57.975 58.200 0.227 0.000 1.070 82 S CB 0.562 63.864 63.200 0.171 0.000 1.004 82 S HN 0.643 nan 8.310 nan 0.000 0.493 83 Y N 3.305 123.646 120.300 0.069 0.000 2.462 83 Y HA 0.328 4.881 4.550 0.006 0.000 0.346 83 Y C -0.317 175.576 175.900 -0.013 0.000 0.976 83 Y CA -1.159 56.906 58.100 -0.059 0.000 1.044 83 Y CB 1.119 39.405 38.460 -0.290 0.000 1.230 83 Y HN 0.688 nan 8.280 nan 0.000 0.455 84 D N 4.673 124.700 120.400 -0.622 0.000 2.671 84 D HA -0.007 4.637 4.640 0.006 0.000 0.228 84 D C -0.764 175.182 176.300 -0.589 0.000 1.102 84 D CA 0.060 53.780 54.000 -0.468 0.000 1.044 84 D CB -0.973 39.648 40.800 -0.298 0.000 1.113 84 D HN 0.347 nan 8.370 nan 0.000 0.480 85 Y N 0.962 121.101 120.300 -0.269 0.000 2.811 85 Y HA 0.167 4.722 4.550 0.007 0.000 0.334 85 Y C 0.024 176.126 175.900 0.336 0.000 1.247 85 Y CA 0.336 58.517 58.100 0.136 0.000 1.526 85 Y CB 0.291 39.068 38.460 0.529 0.000 1.284 85 Y HN 0.273 nan 8.280 nan 0.000 0.586 86 F N 4.437 124.587 119.950 0.333 0.000 2.639 86 F HA 0.469 5.000 4.527 0.006 0.000 0.326 86 F C -1.768 174.124 175.800 0.153 0.000 1.150 86 F CA -1.157 56.991 58.000 0.247 0.000 1.057 86 F CB 1.014 40.057 39.000 0.073 0.000 1.300 86 F HN 0.551 nan 8.300 nan 0.000 0.486 87 N N 3.532 122.114 118.700 -0.198 0.000 2.859 87 N HA 0.590 5.334 4.740 0.006 0.000 0.250 87 N C -1.987 173.323 175.510 -0.333 0.000 1.341 87 N CA -0.125 52.563 53.050 -0.603 0.000 0.881 87 N CB 2.317 40.300 38.487 -0.840 0.000 1.516 87 N HN 0.686 nan 8.380 nan 0.000 0.503 88 c N 0.338 118.696 118.600 -0.404 0.000 2.498 88 c HA 1.020 5.594 4.570 0.006 0.000 0.316 88 c C 0.391 174.339 174.090 -0.237 0.000 1.209 88 c CA -0.650 55.554 56.329 -0.209 0.000 1.518 88 c CB 0.597 42.999 42.510 -0.179 0.000 2.147 88 c HN 0.750 nan 8.230 nan 0.000 0.483 89 G N 1.541 110.265 108.800 -0.126 0.000 2.658 89 G HA2 0.427 4.390 3.960 0.006 0.000 0.301 89 G HA3 0.427 4.390 3.960 0.006 0.000 0.301 89 G C -0.069 174.814 174.900 -0.027 0.000 1.481 89 G CA -0.327 44.697 45.100 -0.127 0.000 0.931 89 G HN 0.491 nan 8.290 nan 0.000 0.573 90 V N 0.677 120.574 119.914 -0.028 0.000 2.287 90 V HA -0.050 4.074 4.120 0.006 0.000 0.248 90 V C 1.343 177.449 176.094 0.021 0.000 1.053 90 V CA 1.889 64.192 62.300 0.004 0.000 1.027 90 V CB -0.481 31.347 31.823 0.007 0.000 0.646 90 V HN 0.685 nan 8.190 nan 0.000 0.447 91 E N -0.136 120.112 120.200 0.080 0.000 2.204 91 E HA 0.548 4.902 4.350 0.006 0.000 0.276 91 E C -0.691 176.025 176.600 0.193 0.000 0.974 91 E CA -0.420 56.068 56.400 0.145 0.000 0.815 91 E CB 1.352 31.206 29.700 0.257 0.000 1.119 91 E HN 0.361 nan 8.360 nan 0.000 0.393 92 K N 1.374 121.900 120.400 0.210 0.000 2.513 92 K HA 0.442 4.766 4.320 0.006 0.000 0.251 92 K C -1.452 175.276 176.600 0.213 0.000 0.939 92 K CA -0.689 55.706 56.287 0.180 0.000 0.793 92 K CB 2.402 35.047 32.500 0.243 0.000 1.241 92 K HN 0.161 nan 8.250 nan 0.000 0.431 93 V N 4.034 124.012 119.914 0.107 0.000 2.378 93 V HA 0.434 4.558 4.120 0.006 0.000 0.288 93 V C -0.982 175.217 176.094 0.175 0.000 1.016 93 V CA -0.756 61.670 62.300 0.209 0.000 0.840 93 V CB 0.508 32.470 31.823 0.232 0.000 0.994 93 V HN 0.576 nan 8.190 nan 0.000 0.431 94 F N 4.584 124.762 119.950 0.380 0.000 2.420 94 F HA 0.522 5.054 4.527 0.008 0.000 0.342 94 F C -0.265 175.848 175.800 0.521 0.000 1.113 94 F CA -0.456 57.823 58.000 0.464 0.000 1.059 94 F CB 1.394 40.631 39.000 0.395 0.000 1.128 94 F HN 0.509 nan 8.300 nan 0.000 0.475 95 Y N 3.861 124.485 120.300 0.541 0.000 2.516 95 Y HA 0.390 4.944 4.550 0.006 0.000 0.329 95 Y C -1.200 174.900 175.900 0.334 0.000 1.095 95 Y CA -1.139 57.193 58.100 0.386 0.000 1.213 95 Y CB -0.073 38.589 38.460 0.336 0.000 1.109 95 Y HN 0.720 nan 8.280 nan 0.000 0.630 96 E N -0.086 120.223 120.200 0.181 0.000 2.442 96 E HA 0.840 5.193 4.350 0.006 0.000 0.278 96 E C 0.266 176.896 176.600 0.049 0.000 1.082 96 E CA -0.609 55.824 56.400 0.056 0.000 0.861 96 E CB 0.982 30.833 29.700 0.253 0.000 1.462 96 E HN 0.450 nan 8.360 nan 0.000 0.458 97 G N -0.761 108.082 108.800 0.071 0.000 2.905 97 G HA2 -0.244 3.720 3.960 0.006 0.000 0.196 97 G HA3 -0.244 3.720 3.960 0.006 0.000 0.196 97 G C 0.953 175.873 174.900 0.034 0.000 1.044 97 G CA 0.166 45.311 45.100 0.075 0.000 0.778 97 G HN 0.925 nan 8.290 nan 0.000 0.474 98 V N 2.151 121.953 119.914 -0.187 0.000 2.469 98 V HA -0.115 4.009 4.120 0.006 0.000 0.251 98 V C 2.159 178.044 176.094 -0.347 0.000 1.064 98 V CA 2.766 64.788 62.300 -0.463 0.000 1.066 98 V CB -0.437 30.816 31.823 -0.950 0.000 0.667 98 V HN 0.513 nan 8.190 nan 0.000 0.461 99 N N -0.826 117.792 118.700 -0.136 0.000 2.571 99 N HA -0.044 4.700 4.740 0.006 0.000 0.189 99 N C -0.030 175.603 175.510 0.205 0.000 1.154 99 N CA 0.600 53.694 53.050 0.073 0.000 0.907 99 N CB 0.035 38.578 38.487 0.093 0.000 0.977 99 N HN 0.578 nan 8.380 nan 0.000 0.449 100 F N 0.989 121.035 119.950 0.159 0.000 2.552 100 F HA 0.306 4.837 4.527 0.006 0.000 0.369 100 F C -0.394 175.543 175.800 0.229 0.000 1.112 100 F CA -0.389 57.747 58.000 0.227 0.000 1.129 100 F CB 0.745 40.008 39.000 0.437 0.000 1.360 100 F HN -0.319 nan 8.300 nan 0.000 0.473 101 S N 4.648 120.366 115.700 0.030 0.000 2.697 101 S HA 0.404 4.878 4.470 0.006 0.000 0.289 101 S C -2.166 172.460 174.600 0.044 0.000 1.149 101 S CA -1.158 57.125 58.200 0.138 0.000 0.850 101 S CB 2.120 65.460 63.200 0.233 0.000 1.151 101 S HN 0.258 nan 8.310 nan 0.000 0.491 102 P HA -0.026 nan 4.420 nan 0.000 0.222 102 P C 1.409 178.726 177.300 0.028 0.000 1.147 102 P CA 0.698 63.843 63.100 0.074 0.000 0.790 102 P CB 0.108 31.874 31.700 0.110 0.000 0.780 103 R N 0.931 121.471 120.500 0.066 0.000 2.119 103 R HA -0.218 4.126 4.340 0.006 0.000 0.246 103 R C 2.125 178.350 176.300 -0.124 0.000 1.146 103 R CA 1.873 57.948 56.100 -0.042 0.000 0.962 103 R CB -0.405 29.788 30.300 -0.179 0.000 0.863 103 R HN 0.066 nan 8.270 nan 0.000 0.442 104 K N 0.014 120.322 120.400 -0.152 0.000 2.283 104 K HA -0.131 4.192 4.320 0.006 0.000 0.202 104 K C 0.134 176.615 176.600 -0.197 0.000 1.048 104 K CA 1.007 57.146 56.287 -0.247 0.000 0.948 104 K CB 0.280 32.529 32.500 -0.419 0.000 0.742 104 K HN 0.175 nan 8.250 nan 0.000 0.458 105 Q N -0.858 118.860 119.800 -0.136 0.000 2.457 105 Q HA -0.281 4.063 4.340 0.006 0.000 0.283 105 Q C -1.140 174.801 176.000 -0.099 0.000 1.234 105 Q CA 0.956 56.708 55.803 -0.085 0.000 0.877 105 Q CB -2.309 26.382 28.738 -0.078 0.000 1.250 105 Q HN 0.474 nan 8.270 nan 0.000 0.481 106 Y N 0.623 120.781 120.300 -0.236 0.000 2.335 106 Y HA 0.363 4.917 4.550 0.006 0.000 0.331 106 Y C 0.522 176.356 175.900 -0.110 0.000 1.094 106 Y CA 0.614 58.575 58.100 -0.232 0.000 1.253 106 Y CB 0.787 39.035 38.460 -0.353 0.000 1.203 106 Y HN 0.219 nan 8.280 nan 0.000 0.508 107 S N 3.800 118.970 115.700 -0.885 0.000 2.588 107 S HA 0.412 4.885 4.470 0.006 0.000 0.269 107 S C -0.617 173.549 174.600 -0.724 0.000 1.157 107 S CA -0.467 57.433 58.200 -0.499 0.000 0.824 107 S CB 1.307 64.515 63.200 0.015 0.000 1.126 107 S HN 0.910 nan 8.310 nan 0.000 0.464 108 c N -0.287 118.224 118.600 -0.147 0.000 2.605 108 c HA 0.590 5.164 4.570 0.006 0.000 0.364 108 c C 0.494 174.530 174.090 -0.091 0.000 1.656 108 c CA -0.037 56.230 56.329 -0.104 0.000 2.400 108 c CB -0.866 41.734 42.510 0.151 0.000 2.132 108 c HN 0.892 nan 8.230 nan 0.000 0.668 109 W N 1.414 122.818 121.300 0.174 0.000 2.055 109 W HA 0.373 5.038 4.660 0.007 0.000 0.644 109 W C 1.359 177.959 176.519 0.134 0.000 1.508 109 W CA 0.458 57.903 57.345 0.166 0.000 0.956 109 W CB -0.270 29.319 29.460 0.215 0.000 3.478 109 W HN 0.006 nan 8.180 nan 0.000 0.744 110 D N 0.572 121.220 120.400 0.414 0.000 2.349 110 D HA -0.072 4.572 4.640 0.006 0.000 0.214 110 D C 1.700 178.122 176.300 0.202 0.000 1.063 110 D CA 0.345 54.492 54.000 0.245 0.000 0.847 110 D CB -0.170 40.774 40.800 0.240 0.000 0.933 110 D HN 0.361 nan 8.370 nan 0.000 0.513 111 E N 1.207 121.544 120.200 0.229 0.000 2.274 111 E HA -0.016 4.338 4.350 0.006 0.000 0.194 111 E C 1.154 177.866 176.600 0.188 0.000 0.996 111 E CA 0.821 57.327 56.400 0.176 0.000 0.840 111 E CB -0.346 29.432 29.700 0.129 0.000 0.772 111 E HN 0.085 nan 8.360 nan 0.000 0.491 112 G N 0.238 109.164 108.800 0.211 0.000 2.860 112 G HA2 -0.282 3.682 3.960 0.006 0.000 0.553 112 G HA3 -0.282 3.682 3.960 0.006 0.000 0.553 112 G C 0.681 175.754 174.900 0.289 0.000 1.439 112 G CA 0.041 45.254 45.100 0.188 0.000 0.879 112 G HN 0.114 nan 8.290 nan 0.000 0.545 113 V N 0.251 120.302 119.914 0.228 0.000 2.407 113 V HA -0.134 3.990 4.120 0.006 0.000 0.248 113 V C 2.608 178.892 176.094 0.316 0.000 1.055 113 V CA 2.814 65.285 62.300 0.284 0.000 1.049 113 V CB -0.616 31.304 31.823 0.162 0.000 0.662 113 V HN 0.738 nan 8.190 nan 0.000 0.455 114 D N 0.779 121.311 120.400 0.219 0.000 2.144 114 D HA -0.114 4.530 4.640 0.006 0.000 0.199 114 D C 2.235 178.650 176.300 0.191 0.000 0.984 114 D CA 1.540 55.651 54.000 0.184 0.000 0.834 114 D CB -0.614 40.263 40.800 0.127 0.000 0.955 114 D HN 0.463 nan 8.370 nan 0.000 0.465 115 G N -0.224 108.691 108.800 0.190 0.000 2.440 115 G HA2 -0.261 3.703 3.960 0.006 0.000 0.218 115 G HA3 -0.261 3.703 3.960 0.006 0.000 0.218 115 G C 1.369 176.303 174.900 0.058 0.000 1.154 115 G CA 0.520 45.674 45.100 0.091 0.000 0.767 115 G HN 0.292 nan 8.290 nan 0.000 0.552 116 W N 0.276 121.755 121.300 0.299 0.000 2.518 116 W HA 0.181 4.847 4.660 0.011 0.000 0.273 116 W C 2.366 179.121 176.519 0.393 0.000 1.247 116 W CA -0.291 57.319 57.345 0.441 0.000 1.288 116 W CB 0.021 29.920 29.460 0.731 0.000 1.107 116 W HN 0.049 nan 8.180 nan 0.000 0.586 117 I N 0.278 121.127 120.570 0.465 0.000 2.252 117 I HA -0.237 3.937 4.170 0.006 0.000 0.245 117 I C 2.240 178.440 176.117 0.139 0.000 1.102 117 I CA 1.645 63.118 61.300 0.288 0.000 1.385 117 I CB -1.678 36.460 38.000 0.230 0.000 1.064 117 I HN 0.047 nan 8.210 nan 0.000 0.414 118 E N 1.664 121.932 120.200 0.113 0.000 2.085 118 E HA -0.193 4.160 4.350 0.006 0.000 0.194 118 E C 2.266 178.889 176.600 0.037 0.000 0.994 118 E CA 1.448 57.881 56.400 0.055 0.000 0.801 118 E CB -0.369 29.354 29.700 0.039 0.000 0.743 118 E HN 0.478 nan 8.360 nan 0.000 0.453 119 L N 0.265 121.509 121.223 0.035 0.000 2.056 119 L HA -0.137 4.206 4.340 0.006 0.000 0.207 119 L C 2.752 179.587 176.870 -0.057 0.000 1.078 119 L CA 1.630 56.542 54.840 0.120 0.000 0.749 119 L CB -0.643 41.462 42.059 0.078 0.000 0.901 119 L HN 0.186 nan 8.230 nan 0.000 0.433 120 K N 0.120 120.259 120.400 -0.435 0.000 2.044 120 K HA -0.201 4.123 4.320 0.006 0.000 0.210 120 K C 2.003 178.423 176.600 -0.300 0.000 1.049 120 K CA 2.151 57.832 56.287 -1.011 0.000 0.927 120 K CB -0.075 32.115 32.500 -0.516 0.000 0.713 120 K HN 0.231 nan 8.250 nan 0.000 0.443 121 T N 0.698 115.189 114.554 -0.105 0.000 2.746 121 T HA -0.091 4.262 4.350 0.006 0.000 0.267 121 T C 1.822 176.484 174.700 -0.063 0.000 1.039 121 T CA 1.295 63.375 62.100 -0.033 0.000 1.142 121 T CB -0.182 68.684 68.868 -0.003 0.000 0.866 121 T HN 0.326 nan 8.240 nan 0.000 0.444 122 R N 0.120 120.601 120.500 -0.031 0.000 2.083 122 R HA -0.081 4.263 4.340 0.006 0.000 0.237 122 R C 2.244 178.438 176.300 -0.177 0.000 1.137 122 R CA 1.640 57.751 56.100 0.018 0.000 0.951 122 R CB -0.597 29.849 30.300 0.243 0.000 0.851 122 R HN 0.401 nan 8.270 nan 0.000 0.434 123 F N 0.511 120.086 119.950 -0.625 0.000 2.075 123 F HA -0.221 4.309 4.527 0.006 0.000 0.297 123 F C 1.759 177.120 175.800 -0.731 0.000 1.113 123 F CA 1.332 58.716 58.000 -1.026 0.000 1.218 123 F CB -0.571 37.787 39.000 -1.069 0.000 0.984 123 F HN -0.084 nan 8.300 nan 0.000 0.472 124 Y N 0.799 120.565 120.300 -0.889 0.000 2.274 124 Y HA -0.169 4.384 4.550 0.005 0.000 0.290 124 Y C 2.698 177.910 175.900 -1.147 0.000 1.145 124 Y CA 1.850 59.208 58.100 -1.236 0.000 1.203 124 Y CB -1.298 36.657 38.460 -0.842 0.000 0.984 124 Y HN 0.065 nan 8.280 nan 0.000 0.533 125 T N -0.312 113.965 114.554 -0.462 0.000 2.684 125 T HA -0.233 4.121 4.350 0.006 0.000 0.267 125 T C 1.943 176.388 174.700 -0.425 0.000 1.036 125 T CA 1.876 63.821 62.100 -0.258 0.000 1.148 125 T CB -0.207 68.600 68.868 -0.103 0.000 0.863 125 T HN 0.041 nan 8.240 nan 0.000 0.436 126 K N 0.874 121.009 120.400 -0.441 0.000 2.057 126 K HA 0.065 4.389 4.320 0.006 0.000 0.206 126 K C 2.042 178.370 176.600 -0.454 0.000 1.050 126 K CA 0.751 56.825 56.287 -0.355 0.000 0.935 126 K CB -0.829 31.559 32.500 -0.186 0.000 0.715 126 K HN 0.181 nan 8.250 nan 0.000 0.439 127 L N 0.079 120.833 121.223 -0.783 0.000 1.990 127 L HA -0.202 4.141 4.340 0.006 0.000 0.213 127 L C 1.836 178.411 176.870 -0.491 0.000 1.072 127 L CA 1.873 56.224 54.840 -0.816 0.000 0.755 127 L CB -0.806 40.420 42.059 -1.388 0.000 0.889 127 L HN 0.241 nan 8.230 nan 0.000 0.432 128 Y N 0.006 120.037 120.300 -0.447 0.000 2.181 128 Y HA -0.220 4.333 4.550 0.006 0.000 0.288 128 Y C 2.719 178.525 175.900 -0.158 0.000 1.146 128 Y CA 1.357 59.300 58.100 -0.262 0.000 1.164 128 Y CB -1.171 37.255 38.460 -0.057 0.000 0.982 128 Y HN 0.387 nan 8.280 nan 0.000 0.515 129 Q N -0.644 119.017 119.800 -0.231 0.000 2.050 129 Q HA -0.204 4.140 4.340 0.006 0.000 0.202 129 Q C 2.302 178.249 176.000 -0.088 0.000 0.980 129 Q CA 1.890 57.504 55.803 -0.315 0.000 0.840 129 Q CB -0.309 28.120 28.738 -0.515 0.000 0.898 129 Q HN 0.482 nan 8.270 nan 0.000 0.424 130 M N -0.224 119.331 119.600 -0.075 0.000 2.229 130 M HA -0.085 4.399 4.480 0.006 0.000 0.264 130 M C 2.293 178.615 176.300 0.038 0.000 1.063 130 M CA 1.125 56.440 55.300 0.024 0.000 1.114 130 M CB -0.209 32.403 32.600 0.019 0.000 1.387 130 M HN 0.224 nan 8.290 nan 0.000 0.420 131 A N 0.544 123.379 122.820 0.025 0.000 2.024 131 A HA -0.161 4.163 4.320 0.006 0.000 0.220 131 A C 2.193 179.847 177.584 0.116 0.000 1.164 131 A CA 2.093 54.188 52.037 0.097 0.000 0.643 131 A CB -1.242 17.871 19.000 0.188 0.000 0.806 131 A HN 0.614 nan 8.150 nan 0.000 0.451 132 T N -2.921 111.695 114.554 0.102 0.000 3.007 132 T HA -0.058 4.296 4.350 0.006 0.000 0.270 132 T C 1.235 175.972 174.700 0.062 0.000 1.107 132 T CA 1.752 63.905 62.100 0.088 0.000 1.118 132 T CB -0.700 68.229 68.868 0.101 0.000 0.889 132 T HN 0.629 nan 8.240 nan 0.000 0.506 133 T N -1.250 113.346 114.554 0.070 0.000 3.228 133 T HA 0.505 4.859 4.350 0.006 0.000 0.278 133 T C 0.083 174.825 174.700 0.070 0.000 1.014 133 T CA -0.667 61.473 62.100 0.067 0.000 0.904 133 T CB 0.135 69.050 68.868 0.077 0.000 1.110 133 T HN 0.231 nan 8.240 nan 0.000 0.541 134 S N 0.426 116.168 115.700 0.070 0.000 2.599 134 S HA 0.624 5.098 4.470 0.006 0.000 0.294 134 S C 0.532 175.173 174.600 0.069 0.000 1.094 134 S CA -1.096 57.145 58.200 0.068 0.000 0.931 134 S CB 3.090 66.331 63.200 0.069 0.000 1.093 134 S HN 0.329 nan 8.310 nan 0.000 0.488 135 R N -0.215 120.322 120.500 0.062 0.000 2.121 135 R HA 0.303 4.647 4.340 0.006 0.000 0.206 135 R C -0.147 176.195 176.300 0.070 0.000 1.094 135 R CA 0.593 56.723 56.100 0.050 0.000 1.055 135 R CB -0.116 30.199 30.300 0.025 0.000 0.964 135 R HN 0.682 nan 8.270 nan 0.000 0.473 136 c N 1.253 119.910 118.600 0.094 0.000 2.370 136 c HA 0.582 5.156 4.570 0.006 0.000 0.354 136 c C -0.173 174.042 174.090 0.209 0.000 1.218 136 c CA -0.666 55.757 56.329 0.156 0.000 2.154 136 c CB 0.752 43.385 42.510 0.204 0.000 2.391 136 c HN 0.406 nan 8.230 nan 0.000 0.540 137 I N 2.578 123.341 120.570 0.323 0.000 2.512 137 I HA 0.422 4.595 4.170 0.006 0.000 0.287 137 I C -0.463 175.973 176.117 0.532 0.000 1.069 137 I CA -0.254 61.247 61.300 0.335 0.000 1.056 137 I CB 1.325 39.450 38.000 0.208 0.000 1.229 137 I HN 0.586 nan 8.210 nan 0.000 0.429 138 K N 6.390 127.059 120.400 0.448 0.000 2.601 138 K HA 0.430 4.754 4.320 0.006 0.000 0.249 138 K C -1.662 175.049 176.600 0.185 0.000 0.966 138 K CA -0.770 55.737 56.287 0.366 0.000 0.827 138 K CB 2.012 34.551 32.500 0.066 0.000 1.178 138 K HN 0.446 nan 8.250 nan 0.000 0.437 139 L N 7.270 128.558 121.223 0.109 0.000 2.369 139 L HA 0.373 4.716 4.340 0.006 0.000 0.279 139 L C -0.624 176.138 176.870 -0.180 0.000 1.108 139 L CA 0.101 54.781 54.840 -0.267 0.000 0.852 139 L CB 0.196 42.056 42.059 -0.332 0.000 1.169 139 L HN 0.574 nan 8.230 nan 0.000 0.452 140 I N 1.773 122.235 120.570 -0.179 0.000 2.603 140 I HA 0.497 4.671 4.170 0.006 0.000 0.300 140 I C -0.623 175.419 176.117 -0.125 0.000 1.017 140 I CA -0.925 60.299 61.300 -0.127 0.000 1.098 140 I CB 1.733 39.689 38.000 -0.073 0.000 1.279 140 I HN 0.406 nan 8.210 nan 0.000 0.437 141 Q N 5.498 125.236 119.800 -0.103 0.000 2.307 141 Q HA 0.453 4.797 4.340 0.006 0.000 0.259 141 Q C -0.557 175.404 176.000 -0.066 0.000 0.998 141 Q CA -0.299 55.451 55.803 -0.087 0.000 0.923 141 Q CB 1.726 30.421 28.738 -0.072 0.000 1.196 141 Q HN 0.648 nan 8.270 nan 0.000 0.416 142 L N 1.721 122.905 121.223 -0.065 0.000 2.464 142 L HA 0.089 4.433 4.340 0.006 0.000 0.264 142 L C 1.021 177.879 176.870 -0.020 0.000 1.199 142 L CA -0.311 54.503 54.840 -0.043 0.000 0.818 142 L CB 0.282 42.309 42.059 -0.053 0.000 1.102 142 L HN 0.359 nan 8.230 nan 0.000 0.473 143 Q N 1.250 121.044 119.800 -0.010 0.000 2.373 143 Q HA 0.267 4.611 4.340 0.006 0.000 0.255 143 Q C -0.206 175.801 176.000 0.012 0.000 0.980 143 Q CA -0.275 55.525 55.803 -0.004 0.000 0.882 143 Q CB 1.567 30.298 28.738 -0.012 0.000 1.249 143 Q HN 0.680 nan 8.270 nan 0.000 0.438 144 A N 5.186 128.015 122.820 0.016 0.000 2.531 144 A HA 0.230 4.554 4.320 0.006 0.000 0.236 144 A C -1.964 175.582 177.584 -0.064 0.000 1.062 144 A CA -0.826 51.218 52.037 0.012 0.000 0.760 144 A CB -0.648 18.367 19.000 0.025 0.000 0.995 144 A HN 0.468 nan 8.150 nan 0.000 0.501 145 P HA 0.022 nan 4.420 nan 0.000 0.261 145 P C 0.734 177.965 177.300 -0.115 0.000 1.173 145 P CA 0.410 63.402 63.100 -0.181 0.000 0.760 145 P CB 0.538 32.025 31.700 -0.356 0.000 0.783 146 S N 0.626 116.279 115.700 -0.078 0.000 2.382 146 S HA -0.076 4.398 4.470 0.006 0.000 0.228 146 S C 1.027 175.596 174.600 -0.052 0.000 1.027 146 S CA 1.057 59.225 58.200 -0.054 0.000 0.991 146 S CB -0.096 63.077 63.200 -0.045 0.000 0.823 146 S HN 0.568 nan 8.310 nan 0.000 0.469 147 S N 0.612 116.275 115.700 -0.061 0.000 2.437 147 S HA 0.675 5.148 4.470 0.006 0.000 0.305 147 S C -0.983 173.575 174.600 -0.069 0.000 1.109 147 S CA -0.703 57.466 58.200 -0.052 0.000 1.099 147 S CB 0.267 63.442 63.200 -0.042 0.000 1.004 147 S HN 0.265 nan 8.310 nan 0.000 0.475 148 L N 5.570 126.762 121.223 -0.051 0.000 2.476 148 L HA 0.479 4.822 4.340 0.006 0.000 0.269 148 L C -2.136 174.724 176.870 -0.017 0.000 0.965 148 L CA -1.702 53.111 54.840 -0.045 0.000 0.845 148 L CB 2.179 44.215 42.059 -0.038 0.000 1.259 148 L HN 0.552 nan 8.230 nan 0.000 0.403 149 P HA 0.186 nan 4.420 nan 0.000 0.274 149 P C -0.405 176.899 177.300 0.006 0.000 1.260 149 P CA -0.445 62.653 63.100 -0.004 0.000 0.793 149 P CB 0.317 32.014 31.700 -0.006 0.000 1.048 150 T N 0.878 115.434 114.554 0.003 0.000 2.905 150 T HA 0.166 4.520 4.350 0.006 0.000 0.299 150 T C 0.067 174.773 174.700 0.011 0.000 1.024 150 T CA 0.578 62.683 62.100 0.008 0.000 1.151 150 T CB -0.482 68.388 68.868 0.002 0.000 0.987 150 T HN 0.154 nan 8.240 nan 0.000 0.535 151 L N 2.860 124.095 121.223 0.021 0.000 2.422 151 L HA 0.466 4.810 4.340 0.006 0.000 0.264 151 L C -0.110 176.775 176.870 0.025 0.000 0.984 151 L CA -0.836 54.019 54.840 0.026 0.000 0.819 151 L CB 2.380 44.472 42.059 0.056 0.000 1.330 151 L HN 0.546 nan 8.230 nan 0.000 0.410 152 Q N 2.092 121.904 119.800 0.019 0.000 2.271 152 Q HA 0.680 5.024 4.340 0.006 0.000 0.258 152 Q C -0.528 175.495 176.000 0.038 0.000 0.936 152 Q CA -0.672 55.148 55.803 0.029 0.000 0.909 152 Q CB 2.064 30.819 28.738 0.029 0.000 1.253 152 Q HN 0.750 nan 8.270 nan 0.000 0.440 153 A N 2.957 125.804 122.820 0.045 0.000 2.462 153 A HA 0.478 4.802 4.320 0.006 0.000 0.243 153 A C 0.552 178.182 177.584 0.076 0.000 1.076 153 A CA 0.413 52.480 52.037 0.050 0.000 0.773 153 A CB 0.206 19.234 19.000 0.046 0.000 1.010 153 A HN 0.892 nan 8.150 nan 0.000 0.493 154 G N -0.367 108.485 108.800 0.086 0.000 2.684 154 G HA2 0.526 4.489 3.960 0.006 0.000 0.255 154 G HA3 0.526 4.489 3.960 0.006 0.000 0.255 154 G C 0.083 175.085 174.900 0.170 0.000 1.219 154 G CA 0.402 45.589 45.100 0.144 0.000 0.901 154 G HN 1.999 nan 8.290 nan 0.000 0.548 155 V N -3.870 116.202 119.914 0.264 0.000 3.206 155 V HA 0.640 4.764 4.120 0.006 0.000 0.305 155 V C -0.337 175.954 176.094 0.327 0.000 1.257 155 V CA -1.397 61.036 62.300 0.222 0.000 1.057 155 V CB 1.179 33.099 31.823 0.161 0.000 1.075 155 V HN 0.857 nan 8.190 nan 0.000 0.443 156 c N 1.640 120.296 118.600 0.093 0.000 2.388 156 c HA 0.492 5.066 4.570 0.006 0.000 0.362 156 c C 2.003 175.785 174.090 -0.513 0.000 1.266 156 c CA -0.124 56.098 56.329 -0.178 0.000 2.028 156 c CB 0.636 43.054 42.510 -0.153 0.000 2.440 156 c HN 1.075 nan 8.230 nan 0.000 0.547 157 R N 1.196 120.940 120.500 -1.259 0.000 2.103 157 R HA -0.156 4.187 4.340 0.006 0.000 0.242 157 R C 2.079 178.096 176.300 -0.471 0.000 1.142 157 R CA 2.318 57.836 56.100 -0.971 0.000 0.960 157 R CB -0.418 29.209 30.300 -1.122 0.000 0.858 157 R HN 0.967 nan 8.270 nan 0.000 0.439 158 T N -2.475 111.834 114.554 -0.409 0.000 3.113 158 T HA -0.013 4.341 4.350 0.006 0.000 0.263 158 T C 0.451 175.030 174.700 -0.203 0.000 1.143 158 T CA 1.091 63.033 62.100 -0.263 0.000 1.090 158 T CB -0.461 68.244 68.868 -0.272 0.000 0.922 158 T HN 0.578 nan 8.240 nan 0.000 0.521 159 N N -0.046 118.538 118.700 -0.193 0.000 2.828 159 N HA -0.164 4.580 4.740 0.006 0.000 0.248 159 N C -0.282 175.170 175.510 -0.096 0.000 1.044 159 N CA 0.830 53.809 53.050 -0.117 0.000 0.851 159 N CB -1.218 37.217 38.487 -0.088 0.000 1.136 159 N HN 0.562 nan 8.380 nan 0.000 0.572 160 K N 0.687 121.007 120.400 -0.134 0.000 2.118 160 K HA 0.214 4.538 4.320 0.006 0.000 0.240 160 K C 0.515 177.123 176.600 0.013 0.000 1.035 160 K CA -0.481 55.764 56.287 -0.071 0.000 0.899 160 K CB 0.323 32.706 32.500 -0.196 0.000 1.085 160 K HN -0.039 nan 8.250 nan 0.000 0.498 161 Q N 1.880 121.738 119.800 0.096 0.000 2.271 161 Q HA 0.070 4.414 4.340 0.006 0.000 0.273 161 Q C -1.014 175.065 176.000 0.131 0.000 1.051 161 Q CA -0.011 55.773 55.803 -0.031 0.000 0.901 161 Q CB 0.266 28.785 28.738 -0.366 0.000 1.174 161 Q HN 0.371 nan 8.270 nan 0.000 0.385 162 L N 7.354 128.607 121.223 0.050 0.000 2.525 162 L HA 0.239 4.582 4.340 0.006 0.000 0.278 162 L C -2.167 174.660 176.870 -0.073 0.000 1.218 162 L CA -0.920 53.946 54.840 0.044 0.000 0.878 162 L CB 0.267 42.355 42.059 0.048 0.000 1.127 162 L HN 0.631 nan 8.230 nan 0.000 0.492 163 P HA 0.011 nan 4.420 nan 0.000 0.266 163 P C -0.477 176.553 177.300 -0.451 0.000 1.195 163 P CA 0.161 62.724 63.100 -0.895 0.000 0.768 163 P CB 0.449 31.643 31.700 -0.843 0.000 0.838 164 D N 0.722 120.855 120.400 -0.446 0.000 2.323 164 D HA -0.032 4.612 4.640 0.006 0.000 0.209 164 D C 0.328 176.484 176.300 -0.240 0.000 0.973 164 D CA 1.400 55.270 54.000 -0.217 0.000 0.874 164 D CB 0.038 40.783 40.800 -0.092 0.000 0.930 164 D HN 0.331 nan 8.370 nan 0.000 0.521 165 N N 0.517 119.042 118.700 -0.292 0.000 2.430 165 N HA 0.190 4.934 4.740 0.006 0.000 0.290 165 N C -2.859 172.576 175.510 -0.126 0.000 1.063 165 N CA -1.733 51.172 53.050 -0.240 0.000 0.883 165 N CB 2.551 40.877 38.487 -0.269 0.000 1.465 165 N HN -0.276 nan 8.380 nan 0.000 0.493 166 P HA 0.150 nan 4.420 nan 0.000 0.274 166 P C -0.584 176.573 177.300 -0.238 0.000 1.237 166 P CA -0.343 62.642 63.100 -0.192 0.000 0.793 166 P CB 0.927 32.551 31.700 -0.128 0.000 0.977 167 R N 1.540 121.790 120.500 -0.417 0.000 2.489 167 R HA 0.223 4.567 4.340 0.006 0.000 0.287 167 R C -0.603 175.516 176.300 -0.301 0.000 1.053 167 R CA -0.330 55.512 56.100 -0.431 0.000 1.036 167 R CB -0.222 29.611 30.300 -0.779 0.000 0.966 167 R HN 0.395 nan 8.270 nan 0.000 0.432 168 L N 4.361 125.500 121.223 -0.139 0.000 2.325 168 L HA 0.688 5.031 4.340 0.006 0.000 0.281 168 L C -1.364 175.496 176.870 -0.016 0.000 1.004 168 L CA 0.021 54.831 54.840 -0.051 0.000 0.823 168 L CB 1.576 43.653 42.059 0.029 0.000 1.236 168 L HN 0.825 nan 8.230 nan 0.000 0.415 169 A N 4.375 127.193 122.820 -0.003 0.000 2.602 169 A HA 0.863 5.186 4.320 0.006 0.000 0.290 169 A C -2.138 175.449 177.584 0.004 0.000 1.114 169 A CA -0.580 51.467 52.037 0.017 0.000 0.683 169 A CB 1.362 20.375 19.000 0.021 0.000 1.281 169 A HN 0.518 nan 8.150 nan 0.000 0.416 170 L N 0.803 122.015 121.223 -0.017 0.000 2.349 170 L HA 0.537 4.881 4.340 0.006 0.000 0.278 170 L C -0.247 176.574 176.870 -0.082 0.000 0.996 170 L CA 0.093 54.875 54.840 -0.097 0.000 0.825 170 L CB 1.355 43.360 42.059 -0.090 0.000 1.243 170 L HN 0.694 nan 8.230 nan 0.000 0.412 171 L N 1.275 122.427 121.223 -0.120 0.000 2.472 171 L HA 0.239 4.583 4.340 0.006 0.000 0.260 171 L C 1.199 178.015 176.870 -0.090 0.000 1.209 171 L CA 0.068 54.857 54.840 -0.084 0.000 0.817 171 L CB 0.581 42.587 42.059 -0.087 0.000 1.106 171 L HN 0.650 nan 8.230 nan 0.000 0.479 172 S N -0.581 115.085 115.700 -0.057 0.000 2.671 172 S HA 0.049 4.522 4.470 0.006 0.000 0.220 172 S C -0.442 174.128 174.600 -0.049 0.000 0.951 172 S CA -0.155 58.017 58.200 -0.046 0.000 0.932 172 S CB -0.686 62.499 63.200 -0.025 0.000 0.777 172 S HN 0.797 nan 8.310 nan 0.000 0.508 173 D N -1.014 119.346 120.400 -0.067 0.000 2.921 173 D HA 0.217 4.861 4.640 0.006 0.000 0.329 173 D C 0.035 176.281 176.300 -0.090 0.000 1.293 173 D CA -0.420 53.542 54.000 -0.062 0.000 0.964 173 D CB 0.028 40.805 40.800 -0.039 0.000 1.435 173 D HN -0.027 nan 8.370 nan 0.000 0.548 174 T N -2.295 112.218 114.554 -0.069 0.000 3.228 174 T HA 0.377 4.731 4.350 0.006 0.000 0.278 174 T C 0.114 174.790 174.700 -0.040 0.000 1.014 174 T CA -0.404 61.652 62.100 -0.074 0.000 0.904 174 T CB -0.640 68.195 68.868 -0.054 0.000 1.110 174 T HN 0.287 nan 8.240 nan 0.000 0.541 175 V N 3.643 123.537 119.914 -0.033 0.000 2.521 175 V HA 0.257 4.381 4.120 0.006 0.000 0.286 175 V C -2.112 173.978 176.094 -0.007 0.000 1.034 175 V CA -1.757 60.535 62.300 -0.014 0.000 1.045 175 V CB 0.433 32.249 31.823 -0.012 0.000 0.974 175 V HN 0.307 nan 8.190 nan 0.000 0.480 176 P HA 0.155 nan 4.420 nan 0.000 0.262 176 P C -0.325 176.989 177.300 0.023 0.000 1.182 176 P CA 0.513 63.628 63.100 0.025 0.000 0.761 176 P CB 0.294 32.015 31.700 0.036 0.000 0.795 177 T N 1.667 116.241 114.554 0.032 0.000 2.916 177 T HA 0.524 4.878 4.350 0.006 0.000 0.305 177 T C -0.734 174.000 174.700 0.056 0.000 1.119 177 T CA -0.553 61.566 62.100 0.031 0.000 1.008 177 T CB 1.351 70.229 68.868 0.016 0.000 1.129 177 T HN 0.076 nan 8.240 nan 0.000 0.480 178 S N 1.275 117.005 115.700 0.050 0.000 2.526 178 S HA 0.792 5.266 4.470 0.006 0.000 0.293 178 S C -0.312 174.312 174.600 0.039 0.000 1.092 178 S CA -0.837 57.404 58.200 0.069 0.000 0.980 178 S CB 1.661 64.904 63.200 0.072 0.000 1.048 178 S HN 0.777 nan 8.310 nan 0.000 0.483 179 V N 1.011 120.953 119.914 0.047 0.000 2.919 179 V HA 0.749 4.873 4.120 0.006 0.000 0.316 179 V C -1.248 174.851 176.094 0.009 0.000 1.077 179 V CA -1.007 61.284 62.300 -0.015 0.000 0.977 179 V CB 1.616 33.374 31.823 -0.107 0.000 1.039 179 V HN 0.709 nan 8.190 nan 0.000 0.441 180 Q N 2.956 122.730 119.800 -0.042 0.000 2.307 180 Q HA 0.704 5.048 4.340 0.006 0.000 0.262 180 Q C -0.787 175.198 176.000 -0.025 0.000 0.961 180 Q CA -0.131 55.634 55.803 -0.063 0.000 0.882 180 Q CB 1.749 30.431 28.738 -0.094 0.000 1.264 180 Q HN 0.829 nan 8.270 nan 0.000 0.446 181 F N -0.641 119.249 119.950 -0.100 0.000 2.538 181 F HA 0.881 5.411 4.527 0.005 0.000 0.325 181 F C -0.838 174.925 175.800 -0.063 0.000 1.066 181 F CA -1.495 56.436 58.000 -0.116 0.000 0.946 181 F CB 0.959 39.873 39.000 -0.143 0.000 1.199 181 F HN 0.164 nan 8.300 nan 0.000 0.473 182 V N 4.136 124.098 119.914 0.079 0.000 2.384 182 V HA 0.346 4.470 4.120 0.006 0.000 0.287 182 V C -0.204 175.891 176.094 0.002 0.000 1.020 182 V CA -0.773 61.519 62.300 -0.013 0.000 0.850 182 V CB 1.433 33.236 31.823 -0.034 0.000 0.987 182 V HN 0.714 nan 8.190 nan 0.000 0.436 183 L N 8.227 129.413 121.223 -0.061 0.000 2.259 183 L HA 0.429 4.773 4.340 0.006 0.000 0.288 183 L C -2.103 174.668 176.870 -0.165 0.000 1.051 183 L CA -1.578 53.068 54.840 -0.324 0.000 0.824 183 L CB 1.579 43.301 42.059 -0.562 0.000 1.206 183 L HN 0.404 nan 8.230 nan 0.000 0.429 184 P HA 0.072 nan 4.420 nan 0.000 0.274 184 P C 0.647 178.054 177.300 0.178 0.000 1.237 184 P CA -0.287 62.854 63.100 0.068 0.000 0.793 184 P CB 1.263 32.993 31.700 0.051 0.000 0.977 185 G N 0.299 109.153 108.800 0.090 0.000 2.650 185 G HA2 0.097 4.060 3.960 0.006 0.000 0.214 185 G HA3 0.097 4.060 3.960 0.006 0.000 0.214 185 G C 0.258 175.185 174.900 0.046 0.000 1.136 185 G CA 0.418 45.563 45.100 0.075 0.000 0.789 185 G HN 0.787 nan 8.290 nan 0.000 0.536 186 S N -2.112 113.612 115.700 0.040 0.000 2.578 186 S HA 0.607 5.081 4.470 0.006 0.000 0.272 186 S C -1.220 173.379 174.600 -0.001 0.000 1.145 186 S CA -0.356 57.850 58.200 0.009 0.000 0.835 186 S CB 1.770 64.972 63.200 0.004 0.000 1.104 186 S HN 0.443 nan 8.310 nan 0.000 0.458 187 S N 0.711 116.391 115.700 -0.033 0.000 2.776 187 S HA 0.670 5.144 4.470 0.006 0.000 0.284 187 S C 0.840 175.381 174.600 -0.099 0.000 1.160 187 S CA 0.671 58.830 58.200 -0.067 0.000 1.051 187 S CB 0.239 63.383 63.200 -0.094 0.000 1.037 187 S HN 2.596 nan 8.310 nan 0.000 0.485 188 G N 4.171 112.924 108.800 -0.079 0.000 2.622 188 G HA2 -0.386 3.578 3.960 0.006 0.000 0.307 188 G HA3 -0.386 3.578 3.960 0.006 0.000 0.307 188 G C 1.031 175.909 174.900 -0.037 0.000 1.226 188 G CA 1.351 46.409 45.100 -0.069 0.000 0.997 188 G HN 1.804 nan 8.290 nan 0.000 0.551 189 T N -1.790 112.751 114.554 -0.021 0.000 3.129 189 T HA 0.386 4.740 4.350 0.006 0.000 0.251 189 T C 1.018 175.739 174.700 0.034 0.000 1.117 189 T CA 1.564 63.675 62.100 0.019 0.000 1.034 189 T CB -0.089 68.810 68.868 0.051 0.000 0.968 189 T HN 0.757 nan 8.240 nan 0.000 0.526 190 T N 4.166 118.725 114.554 0.009 0.000 2.780 190 T HA 0.469 4.823 4.350 0.006 0.000 0.294 190 T C 0.000 174.707 174.700 0.011 0.000 0.949 190 T CA -0.671 61.453 62.100 0.039 0.000 1.074 190 T CB 0.607 69.492 68.868 0.027 0.000 0.910 190 T HN 0.130 nan 8.240 nan 0.000 0.501 191 I N 2.741 123.325 120.570 0.024 0.000 2.395 191 I HA 0.175 4.349 4.170 0.006 0.000 0.289 191 I C 0.340 176.443 176.117 -0.023 0.000 1.023 191 I CA -0.934 60.370 61.300 0.006 0.000 1.350 191 I CB 0.434 38.444 38.000 0.017 0.000 1.409 191 I HN 0.720 nan 8.210 nan 0.000 0.507 192 c N 5.007 123.576 118.600 -0.052 0.000 2.176 192 c HA 0.250 4.824 4.570 0.006 0.000 0.329 192 c C 1.819 175.842 174.090 -0.112 0.000 1.113 192 c CA -0.585 55.647 56.329 -0.162 0.000 1.562 192 c CB -0.732 41.597 42.510 -0.302 0.000 2.040 192 c HN 0.899 nan 8.230 nan 0.000 0.460 193 T N -1.252 113.249 114.554 -0.090 0.000 3.043 193 T HA 0.032 4.386 4.350 0.006 0.000 0.263 193 T C 0.555 175.207 174.700 -0.081 0.000 1.094 193 T CA 0.672 62.752 62.100 -0.034 0.000 1.127 193 T CB 0.189 69.064 68.868 0.012 0.000 0.905 193 T HN 0.780 nan 8.240 nan 0.000 0.490 194 K N -0.240 120.021 120.400 -0.231 0.000 2.548 194 K HA 0.377 4.701 4.320 0.006 0.000 0.282 194 K C -1.917 174.387 176.600 -0.494 0.000 1.006 194 K CA -0.885 55.158 56.287 -0.406 0.000 0.892 194 K CB 1.332 33.385 32.500 -0.745 0.000 1.499 194 K HN 0.218 nan 8.250 nan 0.000 0.433 195 H N 0.541 119.396 119.070 -0.357 0.000 2.759 195 H HA 0.338 4.898 4.556 0.006 0.000 0.354 195 H C -1.132 174.087 175.328 -0.182 0.000 1.074 195 H CA -0.817 55.115 56.048 -0.193 0.000 1.226 195 H CB 2.526 32.196 29.762 -0.154 0.000 1.648 195 H HN 0.487 nan 8.280 nan 0.000 0.529 196 L N 4.119 125.384 121.223 0.070 0.000 2.265 196 L HA 0.403 4.747 4.340 0.006 0.000 0.288 196 L C -1.069 175.894 176.870 0.156 0.000 1.058 196 L CA -0.594 54.318 54.840 0.119 0.000 0.809 196 L CB 0.250 42.409 42.059 0.165 0.000 1.179 196 L HN 0.266 nan 8.230 nan 0.000 0.429 197 V N 6.369 126.352 119.914 0.115 0.000 2.638 197 V HA 0.490 4.614 4.120 0.006 0.000 0.306 197 V C -2.271 173.884 176.094 0.101 0.000 1.052 197 V CA -1.424 60.910 62.300 0.057 0.000 0.885 197 V CB 1.857 33.656 31.823 -0.039 0.000 0.999 197 V HN 0.679 nan 8.190 nan 0.000 0.424 198 P HA 0.333 nan 4.420 nan 0.000 0.279 198 P C -1.223 176.113 177.300 0.060 0.000 1.239 198 P CA -0.232 62.830 63.100 -0.064 0.000 0.789 198 P CB 1.044 32.676 31.700 -0.112 0.000 0.933 199 F N 4.319 124.124 119.950 -0.242 0.000 2.460 199 F HA 0.482 5.013 4.527 0.006 0.000 0.341 199 F C -1.090 174.538 175.800 -0.286 0.000 1.130 199 F CA -0.244 57.571 58.000 -0.308 0.000 0.962 199 F CB 0.746 39.469 39.000 -0.461 0.000 1.171 199 F HN 0.342 nan 8.300 nan 0.000 0.436 200 c N 4.783 122.941 118.600 -0.735 0.000 2.971 200 c HA 0.886 5.460 4.570 0.006 0.000 0.310 200 c C -1.100 172.471 174.090 -0.864 0.000 1.285 200 c CA -0.988 54.853 56.329 -0.813 0.000 1.593 200 c CB 1.266 43.344 42.510 -0.719 0.000 2.076 200 c HN 0.861 nan 8.230 nan 0.000 0.472 201 Y N -1.710 117.958 120.300 -1.054 0.000 2.702 201 Y HA 0.714 5.266 4.550 0.004 0.000 0.336 201 Y C -1.822 173.280 175.900 -1.329 0.000 1.203 201 Y CA -1.522 55.919 58.100 -1.099 0.000 1.072 201 Y CB 0.367 38.221 38.460 -1.011 0.000 1.327 201 Y HN 0.503 nan 8.280 nan 0.000 0.456 202 L N 4.121 124.369 121.223 -1.626 0.000 2.257 202 L HA 0.393 4.736 4.340 0.006 0.000 0.290 202 L C -0.253 175.999 176.870 -1.031 0.000 1.044 202 L CA -0.686 53.362 54.840 -1.320 0.000 0.810 202 L CB 0.750 41.943 42.059 -1.444 0.000 1.193 202 L HN 0.824 nan 8.230 nan 0.000 0.425 203 N N 2.086 120.419 118.700 -0.611 0.000 2.495 203 N HA 0.158 4.902 4.740 0.006 0.000 0.294 203 N C -0.279 175.236 175.510 0.009 0.000 1.276 203 N CA -0.504 52.354 53.050 -0.321 0.000 0.973 203 N CB 0.146 38.395 38.487 -0.397 0.000 1.143 203 N HN 0.629 nan 8.380 nan 0.000 0.589 204 H N -1.691 117.482 119.070 0.171 0.000 2.969 204 H HA 0.044 4.603 4.556 0.004 0.000 0.347 204 H C 0.748 176.173 175.328 0.162 0.000 1.235 204 H CA 0.596 56.720 56.048 0.127 0.000 1.179 204 H CB -1.637 28.142 29.762 0.028 0.000 1.578 204 H HN 1.173 nan 8.280 nan 0.000 0.431 205 G N -1.213 107.752 108.800 0.275 0.000 2.760 205 G HA2 -0.203 3.761 3.960 0.006 0.000 0.246 205 G HA3 -0.203 3.761 3.960 0.006 0.000 0.246 205 G C 0.577 175.618 174.900 0.235 0.000 1.359 205 G CA -0.440 44.779 45.100 0.199 0.000 0.861 205 G HN 1.246 nan 8.290 nan 0.000 0.541 206 c N -1.554 117.153 118.600 0.180 0.000 2.727 206 c HA 0.673 5.247 4.570 0.006 0.000 0.401 206 c C 0.566 174.838 174.090 0.303 0.000 1.294 206 c CA -0.443 56.002 56.329 0.194 0.000 2.134 206 c CB 0.014 42.611 42.510 0.144 0.000 2.724 206 c HN 1.288 nan 8.230 nan 0.000 0.677 207 F N 1.178 121.199 119.950 0.119 0.000 2.427 207 F HA 0.421 4.951 4.527 0.005 0.000 0.348 207 F C 0.394 176.329 175.800 0.224 0.000 1.125 207 F CA -0.168 57.877 58.000 0.075 0.000 0.989 207 F CB 1.249 40.095 39.000 -0.257 0.000 1.165 207 F HN 0.804 nan 8.300 nan 0.000 0.442 208 T N 4.461 119.016 114.554 0.002 0.000 2.779 208 T HA 0.392 4.746 4.350 0.006 0.000 0.296 208 T C -0.196 174.627 174.700 0.206 0.000 0.938 208 T CA 0.120 62.284 62.100 0.106 0.000 1.119 208 T CB 0.752 69.635 68.868 0.025 0.000 0.891 208 T HN 0.704 nan 8.240 nan 0.000 0.526 209 T N 1.422 116.146 114.554 0.283 0.000 2.893 209 T HA 0.500 4.854 4.350 0.006 0.000 0.337 209 T C 0.607 175.388 174.700 0.134 0.000 1.587 209 T CA 0.329 62.586 62.100 0.260 0.000 1.066 209 T CB 0.842 69.958 68.868 0.413 0.000 1.414 209 T HN 1.027 nan 8.240 nan 0.000 0.488 210 G N 1.255 110.109 108.800 0.090 0.000 2.341 210 G HA2 0.126 4.089 3.960 0.006 0.000 0.292 210 G HA3 0.126 4.089 3.960 0.006 0.000 0.292 210 G C 1.350 176.276 174.900 0.043 0.000 1.021 210 G CA 1.341 46.468 45.100 0.045 0.000 0.905 210 G HN 2.265 nan 8.290 nan 0.000 0.508 211 G N -2.485 106.349 108.800 0.058 0.000 2.157 211 G HA2 0.220 4.184 3.960 0.006 0.000 0.248 211 G HA3 0.220 4.184 3.960 0.006 0.000 0.248 211 G C 0.568 175.499 174.900 0.052 0.000 0.979 211 G CA 1.310 46.439 45.100 0.049 0.000 0.650 211 G HN 2.718 nan 8.290 nan 0.000 0.529 212 S N -2.342 113.399 115.700 0.069 0.000 2.615 212 S HA 0.549 5.023 4.470 0.006 0.000 0.269 212 S C -0.447 174.219 174.600 0.110 0.000 1.161 212 S CA -0.194 58.051 58.200 0.075 0.000 0.817 212 S CB 1.643 64.881 63.200 0.063 0.000 1.131 212 S HN 1.391 nan 8.310 nan 0.000 0.467 213 c N 2.713 121.377 118.600 0.107 0.000 2.289 213 c HA 0.577 5.151 4.570 0.006 0.000 0.340 213 c C -0.091 174.097 174.090 0.163 0.000 1.152 213 c CA -0.544 55.869 56.329 0.140 0.000 1.650 213 c CB -2.412 40.161 42.510 0.104 0.000 2.203 213 c HN 0.643 nan 8.230 nan 0.000 0.511 214 L N 7.949 129.319 121.223 0.244 0.000 2.334 214 L HA 0.402 4.745 4.340 0.006 0.000 0.277 214 L C -1.943 175.080 176.870 0.255 0.000 1.075 214 L CA -1.714 53.270 54.840 0.239 0.000 0.804 214 L CB 0.981 43.194 42.059 0.256 0.000 1.174 214 L HN 0.355 nan 8.230 nan 0.000 0.438 215 P HA -0.035 nan 4.420 nan 0.000 0.268 215 P C -1.043 176.275 177.300 0.030 0.000 1.205 215 P CA 0.193 63.265 63.100 -0.046 0.000 0.771 215 P CB 0.266 31.869 31.700 -0.162 0.000 0.858 216 F N 3.326 123.148 119.950 -0.213 0.000 2.313 216 F HA 0.578 5.109 4.527 0.006 0.000 0.369 216 F C 0.340 176.026 175.800 -0.189 0.000 1.109 216 F CA 0.132 58.001 58.000 -0.218 0.000 1.132 216 F CB 0.486 39.267 39.000 -0.365 0.000 1.291 216 F HN 0.284 nan 8.300 nan 0.000 0.496 217 G N 5.555 114.316 108.800 -0.064 0.000 2.744 217 G HA2 0.554 4.518 3.960 0.006 0.000 0.286 217 G HA3 0.554 4.518 3.960 0.006 0.000 0.286 217 G C -1.868 173.112 174.900 0.134 0.000 1.497 217 G CA -0.659 44.512 45.100 0.118 0.000 1.070 217 G HN 0.762 nan 8.290 nan 0.000 0.539 218 V N -0.166 119.884 119.914 0.225 0.000 3.007 218 V HA 0.990 5.114 4.120 0.006 0.000 0.311 218 V C -0.274 176.039 176.094 0.364 0.000 1.120 218 V CA -0.722 61.716 62.300 0.230 0.000 0.980 218 V CB 1.574 33.478 31.823 0.135 0.000 1.033 218 V HN 1.469 nan 8.190 nan 0.000 0.429 219 S N 1.562 117.484 115.700 0.369 0.000 2.565 219 S HA 0.806 5.280 4.470 0.006 0.000 0.269 219 S C -1.942 172.938 174.600 0.467 0.000 1.153 219 S CA -0.716 57.633 58.200 0.247 0.000 0.835 219 S CB 1.791 65.020 63.200 0.048 0.000 1.122 219 S HN 0.944 nan 8.310 nan 0.000 0.462 220 Y N 0.344 120.771 120.300 0.212 0.000 2.341 220 Y HA 0.760 5.315 4.550 0.009 0.000 0.338 220 Y C -0.353 175.769 175.900 0.370 0.000 0.965 220 Y CA -1.636 56.687 58.100 0.371 0.000 1.108 220 Y CB 1.686 40.403 38.460 0.427 0.000 1.180 220 Y HN 0.687 nan 8.280 nan 0.000 0.458 221 V N 2.642 122.888 119.914 0.554 0.000 2.808 221 V HA 0.751 4.875 4.120 0.006 0.000 0.308 221 V C -0.441 175.876 176.094 0.372 0.000 1.099 221 V CA -0.886 61.699 62.300 0.476 0.000 0.920 221 V CB 1.837 33.873 31.823 0.355 0.000 1.014 221 V HN 0.788 nan 8.190 nan 0.000 0.425 222 S N 0.962 116.866 115.700 0.340 0.000 2.806 222 S HA 0.489 4.963 4.470 0.006 0.000 0.306 222 S C 0.208 174.868 174.600 0.100 0.000 1.167 222 S CA -0.604 57.637 58.200 0.067 0.000 0.847 222 S CB 1.913 64.975 63.200 -0.231 0.000 1.216 222 S HN 0.538 nan 8.310 nan 0.000 0.532 223 D N 1.443 121.852 120.400 0.015 0.000 2.221 223 D HA -0.030 4.614 4.640 0.006 0.000 0.204 223 D C 1.452 177.795 176.300 0.072 0.000 0.982 223 D CA 1.849 55.868 54.000 0.033 0.000 0.857 223 D CB -0.229 40.568 40.800 -0.005 0.000 0.934 223 D HN 0.629 nan 8.370 nan 0.000 0.475 224 S N -1.403 114.363 115.700 0.110 0.000 2.650 224 S HA 0.257 4.731 4.470 0.006 0.000 0.240 224 S C -0.028 174.751 174.600 0.298 0.000 1.007 224 S CA -0.817 57.478 58.200 0.158 0.000 0.984 224 S CB 0.091 63.368 63.200 0.127 0.000 0.910 224 S HN 0.111 nan 8.310 nan 0.000 0.509 225 F N 1.042 121.089 119.950 0.161 0.000 2.615 225 F HA 0.623 5.157 4.527 0.010 0.000 0.312 225 F C -2.011 173.962 175.800 0.289 0.000 1.119 225 F CA -1.025 57.122 58.000 0.244 0.000 0.979 225 F CB 1.403 40.619 39.000 0.361 0.000 1.266 225 F HN 0.165 nan 8.300 nan 0.000 0.444 226 Y N 6.502 126.559 120.300 -0.405 0.000 2.396 226 Y HA 0.584 5.136 4.550 0.003 0.000 0.332 226 Y C -2.310 173.323 175.900 -0.445 0.000 1.034 226 Y CA -1.071 56.894 58.100 -0.225 0.000 1.057 226 Y CB 1.394 39.777 38.460 -0.129 0.000 1.220 226 Y HN 0.629 nan 8.280 nan 0.000 0.440 227 Y N 4.319 123.980 120.300 -1.066 0.000 2.433 227 Y HA 0.744 5.298 4.550 0.007 0.000 0.337 227 Y C -0.541 174.557 175.900 -1.337 0.000 1.026 227 Y CA -0.505 56.976 58.100 -1.031 0.000 1.037 227 Y CB 2.185 40.199 38.460 -0.743 0.000 1.245 227 Y HN 0.848 nan 8.280 nan 0.000 0.443 228 G N 2.884 110.964 108.800 -1.200 0.000 2.684 228 G HA2 0.458 4.422 3.960 0.006 0.000 0.290 228 G HA3 0.458 4.422 3.960 0.006 0.000 0.290 228 G C -2.771 172.032 174.900 -0.161 0.000 1.425 228 G CA -0.791 43.980 45.100 -0.548 0.000 0.822 228 G HN 0.551 nan 8.290 nan 0.000 0.482 229 Y N 0.188 120.480 120.300 -0.013 0.000 2.457 229 Y HA 0.722 5.275 4.550 0.004 0.000 0.343 229 Y C -2.028 173.882 175.900 0.017 0.000 0.994 229 Y CA -1.368 56.626 58.100 -0.177 0.000 1.031 229 Y CB 2.300 40.322 38.460 -0.730 0.000 1.246 229 Y HN 0.720 nan 8.280 nan 0.000 0.449 230 Y N 5.277 125.059 120.300 -0.862 0.000 2.433 230 Y HA 0.552 5.105 4.550 0.004 0.000 0.337 230 Y C -1.955 173.535 175.900 -0.684 0.000 1.026 230 Y CA -0.678 57.095 58.100 -0.544 0.000 1.037 230 Y CB 1.533 39.859 38.460 -0.224 0.000 1.245 230 Y HN 0.735 nan 8.280 nan 0.000 0.443 231 D N 3.805 123.729 120.400 -0.793 0.000 2.966 231 D HA 0.525 5.169 4.640 0.006 0.000 0.222 231 D C -0.889 175.191 176.300 -0.367 0.000 1.292 231 D CA 0.045 53.806 54.000 -0.398 0.000 0.907 231 D CB 2.082 42.783 40.800 -0.165 0.000 1.621 231 D HN 0.673 nan 8.370 nan 0.000 0.557 232 A N 2.403 125.116 122.820 -0.177 0.000 2.431 232 A HA 0.259 4.583 4.320 0.006 0.000 0.239 232 A C 0.797 178.405 177.584 0.040 0.000 1.230 232 A CA 0.221 52.228 52.037 -0.050 0.000 0.928 232 A CB -0.094 18.951 19.000 0.074 0.000 1.006 232 A HN 0.495 nan 8.150 nan 0.000 0.520 233 T N -0.800 113.782 114.554 0.047 0.000 2.913 233 T HA 0.491 4.844 4.350 0.006 0.000 0.297 233 T C -2.399 172.338 174.700 0.063 0.000 1.029 233 T CA -1.472 60.663 62.100 0.058 0.000 1.104 233 T CB 0.807 69.708 68.868 0.054 0.000 0.964 233 T HN 0.001 nan 8.240 nan 0.000 0.532 240 E N 2.773 122.935 120.200 -0.064 0.000 2.152 240 E HA 0.542 4.895 4.350 0.006 0.000 0.285 240 E C -0.654 175.823 176.600 -0.204 0.000 1.043 240 E CA -0.428 55.886 56.400 -0.144 0.000 0.839 240 E CB 0.747 30.379 29.700 -0.114 0.000 1.069 240 E HN 0.579 nan 8.360 nan 0.000 0.399 241 S N 4.026 119.530 115.700 -0.327 0.000 2.536 241 S HA 0.473 4.947 4.470 0.006 0.000 0.298 241 S C -1.396 172.945 174.600 -0.431 0.000 1.083 241 S CA -0.693 57.386 58.200 -0.202 0.000 0.995 241 S CB 0.797 63.967 63.200 -0.050 0.000 1.058 241 S HN 0.576 nan 8.310 nan 0.000 0.488 242 H N 1.874 121.079 119.070 0.225 0.000 2.894 242 H HA 0.380 4.939 4.556 0.005 0.000 0.367 242 H C -1.620 173.789 175.328 0.135 0.000 1.144 242 H CA -0.713 55.391 56.048 0.094 0.000 1.180 242 H CB 1.663 31.334 29.762 -0.150 0.000 1.758 242 H HN 0.536 nan 8.280 nan 0.000 0.541 243 D N 1.117 121.545 120.400 0.047 0.000 2.192 243 D HA 0.109 4.753 4.640 0.006 0.000 0.246 243 D C -0.426 175.780 176.300 -0.157 0.000 1.042 243 D CA -0.392 53.611 54.000 0.005 0.000 0.847 243 D CB 1.496 42.214 40.800 -0.136 0.000 1.186 243 D HN 0.376 nan 8.370 nan 0.000 0.461 244 Y N 1.964 122.196 120.300 -0.114 0.000 2.480 244 Y HA 0.323 4.877 4.550 0.007 0.000 0.341 244 Y C -0.621 174.981 175.900 -0.496 0.000 1.031 244 Y CA 0.106 58.044 58.100 -0.269 0.000 1.295 244 Y CB 0.359 38.872 38.460 0.089 0.000 1.162 244 Y HN 0.045 nan 8.280 nan 0.000 0.523 245 V N 5.545 124.971 119.914 -0.813 0.000 2.735 245 V HA 0.468 4.592 4.120 0.006 0.000 0.310 245 V C -0.683 174.870 176.094 -0.903 0.000 1.061 245 V CA -0.976 60.823 62.300 -0.835 0.000 0.913 245 V CB 1.534 32.714 31.823 -1.071 0.000 1.005 245 V HN 0.851 nan 8.190 nan 0.000 0.428 246 c N 2.235 120.497 118.600 -0.563 0.000 2.712 246 c HA 0.689 5.262 4.570 0.006 0.000 0.308 246 c C -0.845 173.013 174.090 -0.387 0.000 1.201 246 c CA -0.839 55.189 56.329 -0.501 0.000 1.554 246 c CB 1.866 44.096 42.510 -0.466 0.000 2.117 246 c HN 0.864 nan 8.230 nan 0.000 0.480 247 D N -0.020 120.171 120.400 -0.349 0.000 2.340 247 D HA 0.429 5.073 4.640 0.006 0.000 0.240 247 D C -1.449 174.519 176.300 -0.552 0.000 1.001 247 D CA -0.160 53.682 54.000 -0.264 0.000 0.888 247 D CB 1.573 42.362 40.800 -0.018 0.000 1.310 247 D HN 0.518 nan 8.370 nan 0.000 0.474 248 Y N 0.673 120.986 120.300 0.023 0.000 2.345 248 Y HA 0.387 4.940 4.550 0.005 0.000 0.331 248 Y C 0.065 175.961 175.900 -0.006 0.000 0.959 248 Y CA -0.670 57.455 58.100 0.042 0.000 1.204 248 Y CB 1.194 39.707 38.460 0.089 0.000 1.135 248 Y HN 0.010 nan 8.280 nan 0.000 0.477 249 L N 4.059 125.327 121.223 0.076 0.000 2.325 249 L HA 0.425 4.769 4.340 0.006 0.000 0.278 249 L C -0.542 176.421 176.870 0.155 0.000 1.023 249 L CA -0.923 53.952 54.840 0.057 0.000 0.811 249 L CB 1.614 43.676 42.059 0.004 0.000 1.249 249 L HN 0.552 nan 8.230 nan 0.000 0.431 250 F N 4.265 124.251 119.950 0.061 0.000 2.445 250 F HA 0.479 5.011 4.527 0.008 0.000 0.359 250 F C -0.281 175.572 175.800 0.089 0.000 1.101 250 F CA -0.160 57.885 58.000 0.075 0.000 1.177 250 F CB 0.467 39.510 39.000 0.071 0.000 1.110 250 F HN 0.366 nan 8.300 nan 0.000 0.522 251 M N 5.556 125.047 119.600 -0.182 0.000 2.386 251 M HA 0.288 4.771 4.480 0.006 0.000 0.293 251 M C -0.746 175.463 176.300 -0.152 0.000 1.120 251 M CA -0.682 54.512 55.300 -0.176 0.000 0.909 251 M CB 2.508 34.825 32.600 -0.471 0.000 1.661 251 M HN 0.536 nan 8.290 nan 0.000 0.452 252 E N 3.644 123.887 120.200 0.071 0.000 2.373 252 E HA 0.255 4.609 4.350 0.006 0.000 0.263 252 E C -2.229 174.487 176.600 0.194 0.000 1.073 252 E CA -1.605 54.871 56.400 0.126 0.000 0.894 252 E CB 0.301 30.121 29.700 0.199 0.000 1.008 252 E HN 0.283 nan 8.360 nan 0.000 0.420 253 P HA 0.074 nan 4.420 nan 0.000 0.267 253 P C -0.080 177.264 177.300 0.074 0.000 1.200 253 P CA 0.215 63.421 63.100 0.177 0.000 0.772 253 P CB 0.815 32.617 31.700 0.170 0.000 0.855 254 G N 0.580 109.387 108.800 0.013 0.000 2.359 254 G HA2 0.212 4.175 3.960 0.006 0.000 0.293 254 G HA3 0.212 4.175 3.960 0.006 0.000 0.293 254 G C -1.503 173.246 174.900 -0.251 0.000 1.300 254 G CA -0.670 44.329 45.100 -0.169 0.000 0.888 254 G HN 0.480 nan 8.290 nan 0.000 0.541 255 T N 0.646 114.963 114.554 -0.395 0.000 2.829 255 T HA 0.686 5.040 4.350 0.006 0.000 0.282 255 T C -1.109 173.203 174.700 -0.648 0.000 0.990 255 T CA 0.203 62.072 62.100 -0.384 0.000 1.028 255 T CB 0.861 69.577 68.868 -0.253 0.000 0.951 255 T HN 0.397 nan 8.240 nan 0.000 0.460 256 Y N 1.197 121.088 120.300 -0.683 0.000 2.536 256 Y HA 0.422 4.976 4.550 0.006 0.000 0.347 256 Y C 0.467 176.011 175.900 -0.593 0.000 1.000 256 Y CA -1.350 56.315 58.100 -0.725 0.000 1.051 256 Y CB 1.548 39.267 38.460 -1.235 0.000 1.259 256 Y HN 0.440 nan 8.280 nan 0.000 0.468 257 N N 1.289 119.947 118.700 -0.071 0.000 2.472 257 N HA 0.459 5.202 4.740 0.006 0.000 0.277 257 N C -0.852 174.832 175.510 0.291 0.000 1.081 257 N CA -0.292 52.801 53.050 0.070 0.000 0.973 257 N CB 1.558 40.114 38.487 0.115 0.000 1.105 257 N HN 0.725 nan 8.380 nan 0.000 0.470 258 A N 1.821 124.882 122.820 0.402 0.000 2.316 258 A HA 0.467 4.791 4.320 0.006 0.000 0.311 258 A C 0.023 177.807 177.584 0.333 0.000 1.339 258 A CA -0.381 51.968 52.037 0.519 0.000 0.960 258 A CB 0.069 19.370 19.000 0.503 0.000 1.152 258 A HN 0.497 nan 8.150 nan 0.000 0.547 259 S N 0.823 116.721 115.700 0.330 0.000 2.593 259 S HA 0.777 5.251 4.470 0.006 0.000 0.297 259 S C 0.072 174.792 174.600 0.201 0.000 1.112 259 S CA -0.450 57.886 58.200 0.227 0.000 1.043 259 S CB 1.686 65.017 63.200 0.218 0.000 1.054 259 S HN 0.850 nan 8.310 nan 0.000 0.516 260 T N -0.073 114.563 114.554 0.138 0.000 2.909 260 T HA 0.358 4.712 4.350 0.006 0.000 0.299 260 T C 0.822 175.577 174.700 0.092 0.000 1.073 260 T CA -0.631 61.529 62.100 0.100 0.000 0.999 260 T CB 1.136 70.029 68.868 0.041 0.000 1.098 260 T HN 0.487 nan 8.240 nan 0.000 0.477 261 V N 1.070 121.051 119.914 0.111 0.000 3.380 261 V HA 0.606 4.729 4.120 0.006 0.000 0.268 261 V C 0.932 177.064 176.094 0.063 0.000 1.168 261 V CA 0.933 63.306 62.300 0.122 0.000 1.156 261 V CB -1.136 30.829 31.823 0.237 0.000 0.785 261 V HN 1.370 nan 8.190 nan 0.000 0.487 262 G N -0.484 108.321 108.800 0.008 0.000 2.307 262 G HA2 0.398 4.362 3.960 0.006 0.000 0.348 262 G HA3 0.398 4.362 3.960 0.006 0.000 0.348 262 G C -0.311 174.473 174.900 -0.192 0.000 1.603 262 G CA 0.294 45.358 45.100 -0.061 0.000 0.961 262 G HN 0.674 nan 8.290 nan 0.000 0.686 263 K N -0.662 119.571 120.400 -0.278 0.000 9.671 263 K HA -0.248 4.076 4.320 0.006 0.000 0.509 263 K C 0.250 176.483 176.600 -0.611 0.000 0.371 263 K CA 2.613 58.572 56.287 -0.545 0.000 1.956 263 K CB -1.958 29.995 32.500 -0.912 0.000 0.711 263 K HN 1.081 nan 8.250 nan 0.000 1.081 264 F N 1.504 121.267 119.950 -0.311 0.000 2.427 264 F HA 0.496 5.028 4.527 0.008 0.000 0.352 264 F C 0.401 176.023 175.800 -0.297 0.000 1.100 264 F CA -0.668 57.070 58.000 -0.437 0.000 1.191 264 F CB 0.976 39.380 39.000 -0.992 0.000 1.128 264 F HN 0.156 nan 8.300 nan 0.000 0.533 265 L N 4.536 125.748 121.223 -0.018 0.000 2.381 265 L HA 0.743 5.087 4.340 0.006 0.000 0.274 265 L C -1.243 175.662 176.870 0.059 0.000 0.988 265 L CA -0.583 54.289 54.840 0.054 0.000 0.824 265 L CB 1.805 43.930 42.059 0.111 0.000 1.263 265 L HN 0.378 nan 8.230 nan 0.000 0.410 266 V N 5.947 125.921 119.914 0.101 0.000 2.483 266 V HA 0.576 4.700 4.120 0.006 0.000 0.297 266 V C -1.205 175.025 176.094 0.225 0.000 1.027 266 V CA -0.552 61.775 62.300 0.045 0.000 0.855 266 V CB 1.347 33.139 31.823 -0.052 0.000 0.995 266 V HN 0.708 nan 8.190 nan 0.000 0.424 267 Y N 4.305 124.600 120.300 -0.007 0.000 2.544 267 Y HA 0.865 5.419 4.550 0.006 0.000 0.342 267 Y C -3.116 172.566 175.900 -0.363 0.000 1.062 267 Y CA -3.254 54.709 58.100 -0.228 0.000 1.023 267 Y CB 1.995 40.331 38.460 -0.206 0.000 1.308 267 Y HN 0.422 nan 8.280 nan 0.000 0.457 268 P HA 0.134 nan 4.420 nan 0.000 0.275 268 P C 0.328 177.463 177.300 -0.275 0.000 1.227 268 P CA -0.077 62.756 63.100 -0.444 0.000 0.781 268 P CB 1.801 33.145 31.700 -0.593 0.000 0.906 269 T N -1.010 113.408 114.554 -0.226 0.000 3.010 269 T HA 0.271 4.625 4.350 0.006 0.000 0.257 269 T C 0.343 174.959 174.700 -0.140 0.000 1.020 269 T CA 0.047 62.066 62.100 -0.135 0.000 0.938 269 T CB 0.056 68.843 68.868 -0.135 0.000 1.049 269 T HN 0.368 nan 8.240 nan 0.000 0.522 270 K N 1.092 121.383 120.400 -0.182 0.000 2.532 270 K HA 0.660 4.983 4.320 0.006 0.000 0.265 270 K C -1.321 175.165 176.600 -0.190 0.000 0.948 270 K CA -0.799 55.376 56.287 -0.187 0.000 0.842 270 K CB 2.409 34.775 32.500 -0.223 0.000 1.392 270 K HN 0.224 nan 8.250 nan 0.000 0.436 271 S N 0.155 115.757 115.700 -0.164 0.000 2.607 271 S HA 0.470 4.944 4.470 0.006 0.000 0.273 271 S C -1.489 173.033 174.600 -0.130 0.000 1.148 271 S CA -0.876 57.277 58.200 -0.079 0.000 0.833 271 S CB 0.596 63.835 63.200 0.065 0.000 1.130 271 S HN 0.505 nan 8.310 nan 0.000 0.470 272 Y N 0.953 121.286 120.300 0.056 0.000 2.425 272 Y HA 0.402 4.956 4.550 0.006 0.000 0.347 272 Y C 0.974 176.861 175.900 -0.022 0.000 0.976 272 Y CA -0.436 57.687 58.100 0.038 0.000 1.190 272 Y CB 0.721 39.206 38.460 0.040 0.000 1.136 272 Y HN 0.920 nan 8.280 nan 0.000 0.517 273 c N 7.320 125.955 118.600 0.060 0.000 2.499 273 c HA 0.641 5.215 4.570 0.006 0.000 0.386 273 c C -0.317 173.733 174.090 -0.068 0.000 1.293 273 c CA -0.706 55.515 56.329 -0.180 0.000 1.884 273 c CB -1.551 40.879 42.510 -0.133 0.000 2.509 273 c HN 0.843 nan 8.230 nan 0.000 0.566 274 M N 5.705 125.209 119.600 -0.160 0.000 2.518 274 M HA 0.405 4.889 4.480 0.006 0.000 0.300 274 M C -0.697 175.565 176.300 -0.064 0.000 1.175 274 M CA -0.459 54.814 55.300 -0.046 0.000 0.890 274 M CB 2.139 34.720 32.600 -0.032 0.000 1.710 274 M HN 0.813 nan 8.290 nan 0.000 0.453 275 D N 0.569 120.972 120.400 0.005 0.000 2.539 275 D HA 0.514 5.158 4.640 0.006 0.000 0.276 275 D C -0.733 175.585 176.300 0.029 0.000 1.206 275 D CA -0.361 53.646 54.000 0.011 0.000 1.081 275 D CB 0.588 41.409 40.800 0.035 0.000 1.142 275 D HN 0.419 nan 8.370 nan 0.000 0.595 276 T N -0.236 114.341 114.554 0.039 0.000 2.841 276 T HA 0.540 4.894 4.350 0.006 0.000 0.283 276 T C -0.178 174.551 174.700 0.049 0.000 1.000 276 T CA -0.780 61.352 62.100 0.053 0.000 0.977 276 T CB 0.914 69.820 68.868 0.062 0.000 0.979 276 T HN 0.506 nan 8.240 nan 0.000 0.446 277 M N 1.627 121.256 119.600 0.049 0.000 2.598 277 M HA 0.661 5.145 4.480 0.006 0.000 0.317 277 M C -0.428 175.897 176.300 0.043 0.000 1.179 277 M CA -0.795 54.530 55.300 0.043 0.000 0.936 277 M CB 1.423 34.045 32.600 0.037 0.000 1.713 277 M HN 0.079 nan 8.290 nan 0.000 0.460 278 N N 2.708 121.432 118.700 0.040 0.000 2.378 278 N HA 0.398 5.142 4.740 0.006 0.000 0.243 278 N C -0.919 174.612 175.510 0.035 0.000 1.137 278 N CA 0.071 53.144 53.050 0.039 0.000 0.862 278 N CB -0.491 38.019 38.487 0.038 0.000 1.116 278 N HN 0.737 nan 8.380 nan 0.000 0.499 279 I N -4.265 116.323 120.570 0.031 0.000 3.006 279 I HA 0.497 4.671 4.170 0.006 0.000 0.306 279 I C -0.852 175.276 176.117 0.017 0.000 1.250 279 I CA -0.867 60.447 61.300 0.023 0.000 0.996 279 I CB 2.276 40.286 38.000 0.018 0.000 1.261 279 I HN -0.357 nan 8.210 nan 0.000 0.442 280 T N 3.311 117.872 114.554 0.012 0.000 2.809 280 T HA 0.572 4.926 4.350 0.006 0.000 0.296 280 T C -0.524 174.160 174.700 -0.027 0.000 1.015 280 T CA -0.410 61.698 62.100 0.013 0.000 0.954 280 T CB 1.302 70.190 68.868 0.032 0.000 0.950 280 T HN 0.397 nan 8.240 nan 0.000 0.450 281 V N 6.834 126.708 119.914 -0.067 0.000 2.444 281 V HA 0.397 4.521 4.120 0.006 0.000 0.294 281 V C -2.237 173.778 176.094 -0.132 0.000 1.022 281 V CA -2.365 59.806 62.300 -0.215 0.000 0.850 281 V CB 1.577 33.193 31.823 -0.346 0.000 0.992 281 V HN 0.627 nan 8.190 nan 0.000 0.426 282 P HA 0.107 nan 4.420 nan 0.000 0.267 282 P C -0.101 177.250 177.300 0.085 0.000 1.200 282 P CA 0.249 63.381 63.100 0.053 0.000 0.772 282 P CB 0.668 32.440 31.700 0.120 0.000 0.855 283 V N 0.852 120.845 119.914 0.132 0.000 3.170 283 V HA 0.408 4.532 4.120 0.006 0.000 0.309 283 V C -0.140 176.050 176.094 0.159 0.000 1.071 283 V CA -0.465 61.962 62.300 0.212 0.000 1.063 283 V CB 0.391 32.410 31.823 0.328 0.000 1.123 283 V HN 0.427 nan 8.190 nan 0.000 0.464 284 Q N 0.957 120.915 119.800 0.262 0.000 2.353 284 Q HA 0.787 5.131 4.340 0.006 0.000 0.268 284 Q C -0.790 175.378 176.000 0.279 0.000 1.045 284 Q CA -0.585 55.361 55.803 0.237 0.000 0.811 284 Q CB 2.163 31.125 28.738 0.374 0.000 1.305 284 Q HN 1.189 nan 8.270 nan 0.000 0.447 285 A N 2.046 124.962 122.820 0.160 0.000 2.359 285 A HA 0.670 4.994 4.320 0.006 0.000 0.303 285 A C -0.927 176.844 177.584 0.313 0.000 1.066 285 A CA -0.547 51.633 52.037 0.239 0.000 0.730 285 A CB 1.271 20.256 19.000 -0.025 0.000 1.211 285 A HN 0.475 nan 8.150 nan 0.000 0.439 286 V N 2.464 122.590 119.914 0.353 0.000 2.472 286 V HA 0.322 4.446 4.120 0.006 0.000 0.290 286 V C 0.432 176.744 176.094 0.363 0.000 1.037 286 V CA -0.623 61.813 62.300 0.226 0.000 0.908 286 V CB 1.561 33.406 31.823 0.037 0.000 0.985 286 V HN 1.027 nan 8.190 nan 0.000 0.454 287 Q N 2.994 122.928 119.800 0.224 0.000 2.283 287 Q HA 0.052 4.396 4.340 0.006 0.000 0.301 287 Q C -0.035 176.199 176.000 0.390 0.000 1.063 287 Q CA 0.872 56.889 55.803 0.356 0.000 0.952 287 Q CB 0.718 29.600 28.738 0.239 0.000 1.166 287 Q HN 0.847 nan 8.270 nan 0.000 0.381 288 S N 5.988 121.847 115.700 0.265 0.000 2.622 288 S HA 0.653 5.127 4.470 0.006 0.000 0.283 288 S C -0.676 173.890 174.600 -0.056 0.000 1.197 288 S CA -0.784 57.467 58.200 0.086 0.000 1.146 288 S CB -0.601 62.562 63.200 -0.061 0.000 1.007 288 S HN 0.585 nan 8.310 nan 0.000 0.478 289 I N 0.527 121.069 120.570 -0.047 0.000 3.174 289 I HA 0.783 4.957 4.170 0.006 0.000 0.313 289 I C -1.016 174.959 176.117 -0.237 0.000 1.155 289 I CA -1.645 59.601 61.300 -0.089 0.000 0.977 289 I CB 1.315 39.390 38.000 0.126 0.000 1.248 289 I HN 0.500 nan 8.210 nan 0.000 0.453 290 W N 1.434 122.720 121.300 -0.025 0.000 2.298 290 W HA 0.561 5.225 4.660 0.006 0.000 0.358 290 W C 0.886 177.427 176.519 0.036 0.000 1.241 290 W CA -0.481 56.813 57.345 -0.085 0.000 1.385 290 W CB 1.226 30.710 29.460 0.039 0.000 1.225 290 W HN 0.681 nan 8.180 nan 0.000 0.654 291 S N -0.185 115.727 115.700 0.353 0.000 2.572 291 S HA -0.092 4.382 4.470 0.006 0.000 0.262 291 S C 0.802 175.540 174.600 0.230 0.000 1.375 291 S CA 0.009 58.394 58.200 0.308 0.000 0.996 291 S CB 0.672 64.031 63.200 0.266 0.000 0.892 291 S HN 0.677 nan 8.310 nan 0.000 0.562 292 E N 0.768 121.048 120.200 0.133 0.000 2.265 292 E HA -0.199 4.155 4.350 0.006 0.000 0.196 292 E C 2.193 178.767 176.600 -0.045 0.000 0.996 292 E CA 1.293 57.732 56.400 0.065 0.000 0.832 292 E CB -0.181 29.547 29.700 0.047 0.000 0.756 292 E HN 0.888 nan 8.360 nan 0.000 0.491 293 Q N -0.795 118.887 119.800 -0.197 0.000 2.436 293 Q HA -0.070 4.274 4.340 0.006 0.000 0.209 293 Q C -0.084 175.545 176.000 -0.618 0.000 0.965 293 Q CA 0.704 56.240 55.803 -0.445 0.000 0.910 293 Q CB -0.039 28.337 28.738 -0.604 0.000 0.980 293 Q HN 0.231 nan 8.270 nan 0.000 0.491 294 Y N 0.088 120.366 120.300 -0.037 0.000 2.587 294 Y HA 0.634 5.187 4.550 0.006 0.000 0.337 294 Y C -0.191 175.725 175.900 0.026 0.000 1.065 294 Y CA -1.654 56.385 58.100 -0.101 0.000 1.126 294 Y CB 1.351 39.596 38.460 -0.357 0.000 1.279 294 Y HN -0.036 nan 8.280 nan 0.000 0.489 295 A N 1.605 124.547 122.820 0.203 0.000 2.310 295 A HA 0.572 4.896 4.320 0.006 0.000 0.300 295 A C -0.392 177.376 177.584 0.306 0.000 1.269 295 A CA -0.287 51.865 52.037 0.192 0.000 0.909 295 A CB -0.225 18.847 19.000 0.119 0.000 1.144 295 A HN 0.650 nan 8.150 nan 0.000 0.540 296 S N 1.015 116.882 115.700 0.279 0.000 2.758 296 S HA 0.678 5.152 4.470 0.006 0.000 0.292 296 S C -0.360 174.340 174.600 0.167 0.000 1.131 296 S CA -0.420 57.929 58.200 0.249 0.000 0.997 296 S CB 1.273 64.599 63.200 0.210 0.000 1.111 296 S HN 0.908 nan 8.310 nan 0.000 0.552 297 D N -1.394 119.085 120.400 0.132 0.000 2.592 297 D HA 0.456 5.100 4.640 0.006 0.000 0.263 297 D C -1.110 175.241 176.300 0.086 0.000 1.132 297 D CA -0.592 53.475 54.000 0.111 0.000 0.996 297 D CB 0.661 41.535 40.800 0.123 0.000 1.442 297 D HN 0.316 nan 8.370 nan 0.000 0.486 298 D N -1.331 119.107 120.400 0.063 0.000 2.670 298 D HA 0.381 5.025 4.640 0.006 0.000 0.255 298 D C 1.258 177.539 176.300 -0.032 0.000 1.286 298 D CA -0.096 53.922 54.000 0.029 0.000 0.830 298 D CB 0.198 41.020 40.800 0.036 0.000 1.065 298 D HN 0.474 nan 8.370 nan 0.000 0.486 299 A N 0.421 123.234 122.820 -0.012 0.000 1.917 299 A HA -0.174 4.150 4.320 0.006 0.000 0.219 299 A C 1.954 179.469 177.584 -0.115 0.000 1.182 299 A CA 0.952 52.965 52.037 -0.039 0.000 0.633 299 A CB -0.410 18.590 19.000 -0.000 0.000 0.819 299 A HN 0.397 nan 8.150 nan 0.000 0.448 300 I N -0.097 120.382 120.570 -0.153 0.000 2.252 300 I HA -0.169 4.005 4.170 0.006 0.000 0.245 300 I C 2.684 178.525 176.117 -0.459 0.000 1.102 300 I CA 1.507 62.696 61.300 -0.185 0.000 1.385 300 I CB -2.060 35.918 38.000 -0.037 0.000 1.064 300 I HN 0.345 nan 8.210 nan 0.000 0.414 301 G N 0.205 108.579 108.800 -0.709 0.000 2.432 301 G HA2 -0.199 3.765 3.960 0.006 0.000 0.219 301 G HA3 -0.199 3.765 3.960 0.006 0.000 0.219 301 G C 1.522 176.051 174.900 -0.617 0.000 1.135 301 G CA 0.294 44.608 45.100 -1.310 0.000 0.767 301 G HN 0.333 nan 8.290 nan 0.000 0.550 302 Q N 0.129 119.746 119.800 -0.305 0.000 2.269 302 Q HA 0.237 4.581 4.340 0.006 0.000 0.201 302 Q C 2.729 178.677 176.000 -0.087 0.000 0.946 302 Q CA 1.023 56.735 55.803 -0.152 0.000 0.877 302 Q CB -0.194 28.500 28.738 -0.073 0.000 0.963 302 Q HN 0.455 nan 8.270 nan 0.000 0.472 303 A N -0.105 122.678 122.820 -0.063 0.000 1.935 303 A HA -0.046 4.278 4.320 0.006 0.000 0.214 303 A C 1.284 179.000 177.584 0.221 0.000 1.178 303 A CA 0.417 52.511 52.037 0.095 0.000 0.640 303 A CB -0.299 18.755 19.000 0.091 0.000 0.825 303 A HN 0.380 nan 8.150 nan 0.000 0.447 304 c N 2.311 120.915 118.600 0.006 0.000 2.210 304 c HA 0.547 5.121 4.570 0.006 0.000 0.377 304 c C 0.121 174.035 174.090 -0.294 0.000 1.037 304 c CA -0.707 55.530 56.329 -0.152 0.000 1.405 304 c CB -2.391 39.955 42.510 -0.273 0.000 1.802 304 c HN 0.392 nan 8.230 nan 0.000 0.495 305 K N 3.556 123.659 120.400 -0.495 0.000 2.385 305 K HA 0.699 5.023 4.320 0.006 0.000 0.248 305 K C -0.131 176.040 176.600 -0.715 0.000 0.955 305 K CA -0.506 55.489 56.287 -0.487 0.000 0.816 305 K CB 1.837 34.158 32.500 -0.299 0.000 1.250 305 K HN 0.611 nan 8.250 nan 0.000 0.434 306 A N 2.170 124.772 122.820 -0.364 0.000 2.520 306 A HA 0.139 4.463 4.320 0.006 0.000 0.235 306 A C -1.632 175.814 177.584 -0.230 0.000 1.065 306 A CA -0.517 51.366 52.037 -0.257 0.000 0.764 306 A CB -0.342 18.593 19.000 -0.109 0.000 1.002 306 A HN 0.557 nan 8.150 nan 0.000 0.502 307 P HA 0.097 nan 4.420 nan 0.000 0.262 307 P C 0.134 177.440 177.300 0.010 0.000 1.304 307 P CA 0.655 63.744 63.100 -0.018 0.000 0.859 307 P CB -0.125 31.616 31.700 0.069 0.000 1.310 308 Y N -2.417 117.894 120.300 0.019 0.000 2.458 308 Y HA 0.506 5.059 4.550 0.005 0.000 0.254 308 Y C 0.569 176.469 175.900 -0.001 0.000 1.120 308 Y CA -1.096 57.015 58.100 0.019 0.000 1.282 308 Y CB -0.543 37.934 38.460 0.028 0.000 1.109 308 Y HN -0.086 nan 8.280 nan 0.000 0.526 309 c N 1.560 119.971 118.600 -0.315 0.000 2.891 309 c HA 0.629 5.203 4.570 0.006 0.000 0.342 309 c C -0.917 173.032 174.090 -0.235 0.000 1.126 309 c CA -1.293 54.890 56.329 -0.244 0.000 1.322 309 c CB 0.424 42.722 42.510 -0.353 0.000 1.763 309 c HN 0.342 nan 8.230 nan 0.000 0.491 310 I N 5.509 125.977 120.570 -0.169 0.000 2.307 310 I HA 0.312 4.485 4.170 0.006 0.000 0.289 310 I C -0.450 175.448 176.117 -0.365 0.000 1.021 310 I CA -0.174 60.978 61.300 -0.247 0.000 1.224 310 I CB 0.667 38.533 38.000 -0.223 0.000 1.376 310 I HN 0.519 nan 8.210 nan 0.000 0.470 311 F N 7.955 127.626 119.950 -0.464 0.000 2.410 311 F HA 0.411 4.943 4.527 0.008 0.000 0.349 311 F C -0.922 174.617 175.800 -0.435 0.000 1.117 311 F CA -0.835 56.948 58.000 -0.362 0.000 1.104 311 F CB 0.511 39.394 39.000 -0.195 0.000 1.122 311 F HN 0.220 nan 8.300 nan 0.000 0.483 312 Y N 5.149 125.104 120.300 -0.574 0.000 2.593 312 Y HA 0.269 4.823 4.550 0.008 0.000 0.331 312 Y C 0.416 175.809 175.900 -0.845 0.000 0.986 312 Y CA -0.961 56.802 58.100 -0.562 0.000 1.262 312 Y CB 0.014 38.173 38.460 -0.502 0.000 1.098 312 Y HN 0.519 nan 8.280 nan 0.000 0.506 313 N N 2.678 120.939 118.700 -0.731 0.000 2.503 313 N HA 0.127 4.871 4.740 0.006 0.000 0.267 313 N C -0.477 175.002 175.510 -0.051 0.000 1.214 313 N CA -0.286 52.465 53.050 -0.497 0.000 0.959 313 N CB 0.724 39.113 38.487 -0.163 0.000 1.142 313 N HN 0.485 nan 8.380 nan 0.000 0.455 314 K N -0.083 120.326 120.400 0.014 0.000 2.249 314 K HA 0.124 4.448 4.320 0.006 0.000 0.280 314 K C 0.811 177.434 176.600 0.038 0.000 1.033 314 K CA -0.148 56.172 56.287 0.054 0.000 0.946 314 K CB 0.741 33.289 32.500 0.080 0.000 1.005 314 K HN 0.682 nan 8.250 nan 0.000 0.469 315 T N -2.471 112.087 114.554 0.006 0.000 3.040 315 T HA 0.002 4.356 4.350 0.006 0.000 0.250 315 T C 0.755 175.453 174.700 -0.004 0.000 1.058 315 T CA -0.073 62.016 62.100 -0.019 0.000 0.988 315 T CB 0.001 68.822 68.868 -0.077 0.000 0.993 315 T HN 0.632 nan 8.240 nan 0.000 0.519 316 T N -0.338 114.221 114.554 0.007 0.000 2.930 316 T HA 0.721 5.075 4.350 0.006 0.000 0.290 316 T C -3.207 171.518 174.700 0.042 0.000 1.052 316 T CA -2.173 59.934 62.100 0.013 0.000 1.017 316 T CB 1.705 70.568 68.868 -0.009 0.000 1.137 316 T HN -0.156 nan 8.240 nan 0.000 0.511 317 P HA 0.167 nan 4.420 nan 0.000 0.273 317 P C -1.038 176.331 177.300 0.116 0.000 1.250 317 P CA -0.549 62.615 63.100 0.105 0.000 0.793 317 P CB 0.088 31.847 31.700 0.099 0.000 1.011 318 Y N 0.652 121.006 120.300 0.090 0.000 2.697 318 Y HA 0.137 4.691 4.550 0.006 0.000 0.349 318 Y C -0.192 175.760 175.900 0.087 0.000 1.120 318 Y CA 0.997 59.155 58.100 0.096 0.000 1.468 318 Y CB -0.440 38.094 38.460 0.123 0.000 1.182 318 Y HN 0.127 nan 8.280 nan 0.000 0.525 319 T N 5.816 120.339 114.554 -0.052 0.000 2.847 319 T HA 0.424 4.778 4.350 0.006 0.000 0.291 319 T C -1.035 173.651 174.700 -0.024 0.000 0.998 319 T CA -0.653 61.457 62.100 0.016 0.000 0.967 319 T CB 0.849 69.716 68.868 -0.003 0.000 0.954 319 T HN 0.261 nan 8.240 nan 0.000 0.441 320 V N 3.856 123.814 119.914 0.074 0.000 2.409 320 V HA 0.417 4.540 4.120 0.006 0.000 0.291 320 V C 1.267 177.401 176.094 0.066 0.000 1.020 320 V CA -0.608 61.741 62.300 0.081 0.000 0.848 320 V CB 1.371 33.302 31.823 0.180 0.000 0.990 320 V HN 1.096 nan 8.190 nan 0.000 0.430 321 T N -0.222 114.356 114.554 0.041 0.000 2.971 321 T HA 0.167 4.521 4.350 0.006 0.000 0.252 321 T C 0.692 175.414 174.700 0.038 0.000 1.022 321 T CA 0.226 62.347 62.100 0.035 0.000 0.980 321 T CB 0.035 68.915 68.868 0.020 0.000 1.044 321 T HN 0.446 nan 8.240 nan 0.000 0.501 322 N N 0.804 119.529 118.700 0.043 0.000 2.673 322 N HA 0.449 5.193 4.740 0.006 0.000 0.265 322 N C -0.413 175.131 175.510 0.057 0.000 1.709 322 N CA -0.196 52.879 53.050 0.042 0.000 0.792 322 N CB 0.883 39.388 38.487 0.029 0.000 1.286 322 N HN 0.526 nan 8.380 nan 0.000 0.506 323 G N -1.226 107.622 108.800 0.079 0.000 3.022 323 G HA2 0.356 4.320 3.960 0.006 0.000 0.284 323 G HA3 0.356 4.320 3.960 0.006 0.000 0.284 323 G C 0.603 175.565 174.900 0.102 0.000 1.375 323 G CA -0.186 44.978 45.100 0.106 0.000 0.902 323 G HN 0.172 nan 8.290 nan 0.000 0.538 324 S N -1.167 114.602 115.700 0.115 0.000 2.395 324 S HA 0.129 4.603 4.470 0.006 0.000 0.225 324 S C 0.613 175.269 174.600 0.094 0.000 1.027 324 S CA 1.623 59.865 58.200 0.070 0.000 0.965 324 S CB -0.328 62.876 63.200 0.006 0.000 0.812 324 S HN 0.857 nan 8.310 nan 0.000 0.482 325 D N -0.921 119.582 120.400 0.173 0.000 2.825 325 D HA 0.636 5.279 4.640 0.006 0.000 0.327 325 D C 0.557 176.993 176.300 0.227 0.000 1.277 325 D CA -0.238 53.869 54.000 0.179 0.000 0.950 325 D CB 0.515 41.417 40.800 0.170 0.000 1.438 325 D HN 0.024 nan 8.370 nan 0.000 0.526 326 A N -0.788 122.154 122.820 0.203 0.000 2.178 326 A HA -0.067 4.257 4.320 0.006 0.000 0.218 326 A C 1.023 178.776 177.584 0.282 0.000 1.157 326 A CA 0.921 53.092 52.037 0.222 0.000 0.689 326 A CB -0.758 18.351 19.000 0.182 0.000 0.787 326 A HN 0.485 nan 8.150 nan 0.000 0.465 327 N N -0.691 118.142 118.700 0.221 0.000 2.235 327 N HA 0.117 4.861 4.740 0.006 0.000 0.231 327 N C -1.181 174.145 175.510 -0.307 0.000 1.177 327 N CA 0.111 53.103 53.050 -0.096 0.000 0.874 327 N CB 0.400 38.872 38.487 -0.025 0.000 1.097 327 N HN 0.563 nan 8.380 nan 0.000 0.518 328 H N -0.922 118.325 119.070 0.296 0.000 3.018 328 H HA 0.446 5.006 4.556 0.007 0.000 0.334 328 H C 0.310 175.812 175.328 0.290 0.000 0.983 328 H CA -0.171 56.052 56.048 0.291 0.000 1.363 328 H CB 1.568 31.419 29.762 0.149 0.000 1.668 328 H HN 0.132 nan 8.280 nan 0.000 0.513 329 G N 2.918 111.937 108.800 0.364 0.000 2.455 329 G HA2 -0.212 3.752 3.960 0.006 0.000 0.169 329 G HA3 -0.212 3.752 3.960 0.006 0.000 0.169 329 G C -0.595 174.317 174.900 0.019 0.000 1.074 329 G CA -0.509 44.694 45.100 0.173 0.000 0.796 329 G HN 0.706 nan 8.290 nan 0.000 0.489 330 D N 0.070 120.353 120.400 -0.196 0.000 2.417 330 D HA 0.342 4.985 4.640 0.006 0.000 0.250 330 D C 1.391 177.551 176.300 -0.233 0.000 1.166 330 D CA 0.044 53.733 54.000 -0.519 0.000 0.881 330 D CB 0.651 40.781 40.800 -1.116 0.000 1.164 330 D HN 0.094 nan 8.370 nan 0.000 0.467 331 D N 3.002 123.303 120.400 -0.164 0.000 2.117 331 D HA -0.174 4.470 4.640 0.006 0.000 0.197 331 D C 1.414 177.661 176.300 -0.089 0.000 0.987 331 D CA 0.858 54.804 54.000 -0.089 0.000 0.829 331 D CB 0.068 40.835 40.800 -0.056 0.000 0.961 331 D HN 0.714 nan 8.370 nan 0.000 0.460 332 E N 0.599 120.732 120.200 -0.111 0.000 2.031 332 E HA -0.136 4.218 4.350 0.006 0.000 0.193 332 E C 2.169 178.712 176.600 -0.094 0.000 0.994 332 E CA 0.808 57.159 56.400 -0.081 0.000 0.800 332 E CB 0.190 29.849 29.700 -0.068 0.000 0.752 332 E HN -0.022 nan 8.360 nan 0.000 0.447 333 V N 1.139 120.968 119.914 -0.142 0.000 2.427 333 V HA -0.225 3.899 4.120 0.006 0.000 0.248 333 V C 2.444 178.443 176.094 -0.157 0.000 1.051 333 V CA 1.854 64.045 62.300 -0.182 0.000 1.048 333 V CB -0.548 31.139 31.823 -0.226 0.000 0.666 333 V HN 0.250 nan 8.190 nan 0.000 0.456 334 R N -0.863 119.572 120.500 -0.108 0.000 2.091 334 R HA -0.227 4.117 4.340 0.006 0.000 0.238 334 R C 2.255 178.532 176.300 -0.039 0.000 1.136 334 R CA 2.035 58.097 56.100 -0.064 0.000 0.959 334 R CB -0.386 29.892 30.300 -0.038 0.000 0.856 334 R HN 0.397 nan 8.270 nan 0.000 0.437 335 M N 0.135 119.719 119.600 -0.027 0.000 2.156 335 M HA -0.068 4.416 4.480 0.006 0.000 0.264 335 M C 1.946 178.284 176.300 0.063 0.000 1.067 335 M CA 1.686 57.005 55.300 0.033 0.000 1.131 335 M CB -0.018 32.595 32.600 0.021 0.000 1.368 335 M HN 0.047 nan 8.290 nan 0.000 0.416 336 M N -0.989 118.583 119.600 -0.046 0.000 2.108 336 M HA -0.227 4.257 4.480 0.006 0.000 0.261 336 M C 1.761 177.997 176.300 -0.107 0.000 1.066 336 M CA 1.365 56.585 55.300 -0.133 0.000 1.107 336 M CB -0.408 32.026 32.600 -0.277 0.000 1.356 336 M HN 0.241 nan 8.290 nan 0.000 0.406 337 M N -0.225 119.306 119.600 -0.116 0.000 2.476 337 M HA -0.103 4.381 4.480 0.006 0.000 0.262 337 M C 1.880 178.148 176.300 -0.054 0.000 1.079 337 M CA 1.122 56.361 55.300 -0.101 0.000 1.104 337 M CB -1.007 31.532 32.600 -0.102 0.000 1.409 337 M HN 0.277 nan 8.290 nan 0.000 0.467 338 Q N -0.142 119.642 119.800 -0.027 0.000 2.234 338 Q HA -0.087 4.257 4.340 0.006 0.000 0.206 338 Q C 2.107 177.989 176.000 -0.197 0.000 0.980 338 Q CA 1.618 57.374 55.803 -0.078 0.000 0.869 338 Q CB -0.875 27.826 28.738 -0.061 0.000 0.912 338 Q HN 0.636 nan 8.270 nan 0.000 0.436 339 G N 0.755 109.476 108.800 -0.132 0.000 2.462 339 G HA2 -0.202 3.762 3.960 0.006 0.000 0.220 339 G HA3 -0.202 3.762 3.960 0.006 0.000 0.220 339 G C 1.386 176.153 174.900 -0.221 0.000 1.121 339 G CA 0.322 45.296 45.100 -0.210 0.000 0.758 339 G HN 0.311 nan 8.290 nan 0.000 0.559 340 L N -0.121 121.002 121.223 -0.167 0.000 2.552 340 L HA 0.217 4.561 4.340 0.006 0.000 0.227 340 L C 2.039 178.888 176.870 -0.035 0.000 1.146 340 L CA 0.060 54.807 54.840 -0.155 0.000 0.858 340 L CB -0.005 41.964 42.059 -0.149 0.000 0.969 340 L HN 0.212 nan 8.230 nan 0.000 0.451 341 L N -0.968 120.213 121.223 -0.071 0.000 2.607 341 L HA 0.131 4.475 4.340 0.006 0.000 0.228 341 L C 0.933 177.738 176.870 -0.109 0.000 1.123 341 L CA -0.046 54.775 54.840 -0.033 0.000 0.890 341 L CB -0.042 41.989 42.059 -0.046 0.000 1.103 341 L HN 0.157 nan 8.230 nan 0.000 0.468 342 R N 0.667 121.044 120.500 -0.205 0.000 2.532 342 R HA 0.164 4.508 4.340 0.006 0.000 0.272 342 R C 0.126 176.282 176.300 -0.239 0.000 1.032 342 R CA -0.721 55.239 56.100 -0.233 0.000 1.089 342 R CB 0.569 30.694 30.300 -0.292 0.000 1.098 342 R HN -0.114 nan 8.270 nan 0.000 0.526 343 N N 0.615 119.206 118.700 -0.182 0.000 2.420 343 N HA 0.014 4.757 4.740 0.006 0.000 0.262 343 N C -1.440 173.964 175.510 -0.177 0.000 1.144 343 N CA 0.383 53.334 53.050 -0.165 0.000 0.952 343 N CB 0.652 39.076 38.487 -0.106 0.000 1.081 343 N HN 0.407 nan 8.380 nan 0.000 0.480 344 S N 1.719 117.291 115.700 -0.213 0.000 2.536 344 S HA 0.439 4.913 4.470 0.006 0.000 0.287 344 S C 0.153 174.666 174.600 -0.146 0.000 1.101 344 S CA -0.722 57.366 58.200 -0.187 0.000 0.950 344 S CB 1.745 64.798 63.200 -0.245 0.000 1.056 344 S HN 0.542 nan 8.310 nan 0.000 0.481 345 S N 0.495 116.128 115.700 -0.112 0.000 2.632 345 S HA 0.243 4.717 4.470 0.006 0.000 0.237 345 S C -0.117 174.426 174.600 -0.096 0.000 1.037 345 S CA -0.201 57.952 58.200 -0.079 0.000 1.009 345 S CB 0.400 63.568 63.200 -0.053 0.000 0.974 345 S HN 0.797 nan 8.310 nan 0.000 0.544 346 c N 2.555 121.072 118.600 -0.138 0.000 2.551 346 c HA 0.697 5.271 4.570 0.006 0.000 0.332 346 c C -1.822 172.126 174.090 -0.237 0.000 1.139 346 c CA -0.789 55.439 56.329 -0.168 0.000 1.328 346 c CB -0.058 42.397 42.510 -0.092 0.000 1.903 346 c HN 0.282 nan 8.230 nan 0.000 0.459 347 I N 6.083 126.405 120.570 -0.413 0.000 2.436 347 I HA 0.644 4.817 4.170 0.006 0.000 0.289 347 I C 0.308 176.287 176.117 -0.229 0.000 1.010 347 I CA 0.345 61.408 61.300 -0.395 0.000 1.098 347 I CB 1.519 39.068 38.000 -0.752 0.000 1.266 347 I HN 0.949 nan 8.210 nan 0.000 0.434 348 S N 6.458 122.138 115.700 -0.033 0.000 2.671 348 S HA 0.639 5.113 4.470 0.006 0.000 0.277 348 S C -2.650 172.005 174.600 0.091 0.000 1.165 348 S CA -1.103 57.111 58.200 0.024 0.000 0.822 348 S CB 2.168 65.382 63.200 0.023 0.000 1.150 348 S HN 0.269 nan 8.310 nan 0.000 0.479 349 P HA 0.037 nan 4.420 nan 0.000 0.225 349 P C 0.849 178.293 177.300 0.240 0.000 1.148 349 P CA 1.052 64.148 63.100 -0.007 0.000 0.779 349 P CB 0.005 31.709 31.700 0.006 0.000 0.780 350 Q N -0.963 118.978 119.800 0.235 0.000 2.389 350 Q HA 0.292 4.636 4.340 0.006 0.000 0.204 350 Q C 1.248 177.422 176.000 0.291 0.000 0.944 350 Q CA 0.889 56.853 55.803 0.270 0.000 0.908 350 Q CB -0.311 28.523 28.738 0.160 0.000 1.002 350 Q HN 0.227 nan 8.270 nan 0.000 0.493 351 G N -0.561 108.382 108.800 0.239 0.000 2.352 351 G HA2 -0.028 3.936 3.960 0.006 0.000 0.324 351 G HA3 -0.028 3.936 3.960 0.006 0.000 0.324 351 G C -0.912 174.015 174.900 0.044 0.000 1.249 351 G CA -0.481 44.673 45.100 0.090 0.000 1.053 351 G HN 0.391 nan 8.290 nan 0.000 0.492 352 S N -1.052 114.652 115.700 0.006 0.000 2.549 352 S HA 0.887 5.361 4.470 0.006 0.000 0.297 352 S C 0.070 174.661 174.600 -0.014 0.000 1.115 352 S CA 0.677 58.852 58.200 -0.043 0.000 1.059 352 S CB 1.877 65.015 63.200 -0.102 0.000 1.046 352 S HN 2.231 nan 8.310 nan 0.000 0.506 353 T N -0.881 113.646 114.554 -0.046 0.000 2.906 353 T HA 0.746 5.100 4.350 0.006 0.000 0.295 353 T C -3.178 171.483 174.700 -0.066 0.000 1.061 353 T CA -2.125 59.954 62.100 -0.035 0.000 1.000 353 T CB 1.651 70.511 68.868 -0.013 0.000 1.103 353 T HN 0.484 nan 8.240 nan 0.000 0.486 354 P HA 0.292 nan 4.420 nan 0.000 0.279 354 P C -0.285 176.980 177.300 -0.058 0.000 1.282 354 P CA -0.790 62.269 63.100 -0.069 0.000 0.788 354 P CB 0.496 32.157 31.700 -0.064 0.000 1.139 355 L N 0.150 121.339 121.223 -0.057 0.000 2.462 355 L HA 0.395 4.739 4.340 0.006 0.000 0.272 355 L C -0.059 176.773 176.870 -0.063 0.000 1.166 355 L CA 0.742 55.548 54.840 -0.056 0.000 0.880 355 L CB -1.112 40.917 42.059 -0.050 0.000 1.142 355 L HN 0.599 nan 8.230 nan 0.000 0.473 356 A N 4.546 127.319 122.820 -0.078 0.000 2.599 356 A HA 0.493 4.817 4.320 0.006 0.000 0.290 356 A C 0.145 177.621 177.584 -0.180 0.000 1.101 356 A CA -0.628 51.347 52.037 -0.102 0.000 0.674 356 A CB 0.634 19.598 19.000 -0.060 0.000 1.277 356 A HN 0.675 nan 8.150 nan 0.000 0.419 357 L N -0.826 120.212 121.223 -0.310 0.000 2.102 357 L HA 0.128 4.472 4.340 0.006 0.000 0.202 357 L C -0.158 176.319 176.870 -0.655 0.000 1.076 357 L CA 1.175 55.630 54.840 -0.642 0.000 0.761 357 L CB -0.209 41.186 42.059 -1.106 0.000 0.921 357 L HN 0.689 nan 8.230 nan 0.000 0.444 358 Y N -1.472 118.788 120.300 -0.067 0.000 2.425 358 Y HA 0.375 4.929 4.550 0.006 0.000 0.344 358 Y C 0.101 176.023 175.900 0.035 0.000 0.969 358 Y CA -0.778 57.317 58.100 -0.010 0.000 1.052 358 Y CB 1.909 40.360 38.460 -0.016 0.000 1.215 358 Y HN -0.263 nan 8.280 nan 0.000 0.451 359 S N 0.260 116.132 115.700 0.285 0.000 2.525 359 S HA 0.196 4.670 4.470 0.006 0.000 0.290 359 S C 0.947 175.730 174.600 0.306 0.000 1.152 359 S CA -0.213 58.130 58.200 0.238 0.000 1.072 359 S CB 0.834 64.178 63.200 0.240 0.000 1.027 359 S HN 0.843 nan 8.310 nan 0.000 0.500 360 T N 0.743 115.387 114.554 0.151 0.000 3.118 360 T HA 0.135 4.488 4.350 0.006 0.000 0.260 360 T C 0.419 175.366 174.700 0.412 0.000 1.139 360 T CA 0.542 62.669 62.100 0.044 0.000 1.085 360 T CB -0.527 68.281 68.868 -0.100 0.000 0.934 360 T HN 0.810 nan 8.240 nan 0.000 0.518 361 E N -0.192 120.271 120.200 0.438 0.000 2.429 361 E HA 0.559 4.913 4.350 0.006 0.000 0.276 361 E C -1.050 175.604 176.600 0.090 0.000 0.953 361 E CA -1.363 55.258 56.400 0.368 0.000 0.787 361 E CB 1.073 30.869 29.700 0.160 0.000 1.307 361 E HN 0.014 nan 8.360 nan 0.000 0.458 362 M N 1.861 121.183 119.600 -0.463 0.000 2.239 362 M HA 0.284 4.768 4.480 0.006 0.000 0.348 362 M C -1.109 174.904 176.300 -0.479 0.000 1.239 362 M CA 0.324 55.197 55.300 -0.712 0.000 1.114 362 M CB 0.277 32.298 32.600 -0.966 0.000 1.641 362 M HN 0.515 nan 8.290 nan 0.000 0.453 363 I N 5.537 125.843 120.570 -0.439 0.000 2.362 363 I HA 0.292 4.466 4.170 0.006 0.000 0.289 363 I C -1.033 174.846 176.117 -0.397 0.000 0.994 363 I CA -0.611 60.529 61.300 -0.265 0.000 1.158 363 I CB 0.861 38.810 38.000 -0.084 0.000 1.315 363 I HN 0.618 nan 8.210 nan 0.000 0.451 364 Y N 3.929 124.219 120.300 -0.017 0.000 2.679 364 Y HA 0.462 5.016 4.550 0.007 0.000 0.331 364 Y C 0.471 176.365 175.900 -0.010 0.000 1.183 364 Y CA -0.800 57.287 58.100 -0.021 0.000 1.290 364 Y CB 0.768 39.209 38.460 -0.031 0.000 1.489 364 Y HN 0.403 nan 8.280 nan 0.000 0.583 365 E N 1.136 121.443 120.200 0.179 0.000 2.222 365 E HA 0.369 4.723 4.350 0.006 0.000 0.267 365 E C -2.580 174.045 176.600 0.041 0.000 0.963 365 E CA -2.030 54.422 56.400 0.086 0.000 0.837 365 E CB 1.070 30.813 29.700 0.072 0.000 1.183 365 E HN 0.252 nan 8.360 nan 0.000 0.403 366 P HA 0.160 nan 4.420 nan 0.000 0.278 366 P C -1.177 176.165 177.300 0.070 0.000 1.238 366 P CA -0.402 62.724 63.100 0.043 0.000 0.794 366 P CB 0.489 32.206 31.700 0.028 0.000 0.955 367 N N 0.290 119.050 118.700 0.100 0.000 2.525 367 N HA 0.666 5.409 4.740 0.006 0.000 0.270 367 N C -1.515 174.103 175.510 0.180 0.000 1.321 367 N CA -0.877 52.225 53.050 0.086 0.000 0.797 367 N CB 1.399 39.899 38.487 0.021 0.000 1.529 367 N HN 0.498 nan 8.380 nan 0.000 0.491 368 Y N -2.693 117.629 120.300 0.037 0.000 2.670 368 Y HA 0.850 5.403 4.550 0.006 0.000 0.334 368 Y C 0.378 176.297 175.900 0.032 0.000 1.185 368 Y CA -0.453 57.669 58.100 0.038 0.000 1.053 368 Y CB 0.799 39.287 38.460 0.047 0.000 1.298 368 Y HN 1.162 nan 8.280 nan 0.000 0.459 369 G N 0.502 109.440 108.800 0.230 0.000 2.512 369 G HA2 0.061 4.025 3.960 0.006 0.000 0.210 369 G HA3 0.061 4.025 3.960 0.006 0.000 0.210 369 G C -1.092 173.840 174.900 0.054 0.000 1.295 369 G CA -0.457 44.706 45.100 0.105 0.000 0.934 369 G HN 1.301 nan 8.290 nan 0.000 0.554 370 S N -0.743 114.966 115.700 0.016 0.000 2.448 370 S HA 0.574 5.048 4.470 0.006 0.000 0.320 370 S C 0.022 174.612 174.600 -0.017 0.000 1.071 370 S CA -0.053 58.150 58.200 0.005 0.000 1.113 370 S CB -0.237 62.962 63.200 -0.001 0.000 0.972 370 S HN 1.070 nan 8.310 nan 0.000 0.465 371 c N 7.174 125.768 118.600 -0.009 0.000 2.355 371 c HA 0.653 5.227 4.570 0.006 0.000 0.332 371 c C -1.923 172.164 174.090 -0.006 0.000 1.255 371 c CA -1.350 54.971 56.329 -0.013 0.000 1.792 371 c CB 0.850 43.356 42.510 -0.006 0.000 2.300 371 c HN 0.706 nan 8.230 nan 0.000 0.515 372 P HA 0.163 nan 4.420 nan 0.000 0.272 372 P C -1.001 176.344 177.300 0.075 0.000 1.230 372 P CA 0.097 63.195 63.100 -0.003 0.000 0.788 372 P CB 0.536 32.240 31.700 0.008 0.000 0.949 373 Q N 0.431 120.302 119.800 0.119 0.000 2.214 373 Q HA 0.361 4.705 4.340 0.006 0.000 0.251 373 Q C -0.325 175.933 176.000 0.429 0.000 0.936 373 Q CA -0.787 55.186 55.803 0.282 0.000 0.894 373 Q CB 1.192 30.182 28.738 0.420 0.000 1.252 373 Q HN 0.449 nan 8.270 nan 0.000 0.448 374 F N 2.431 122.528 119.950 0.244 0.000 2.543 374 F HA -0.092 4.439 4.527 0.007 0.000 0.375 374 F C 1.003 177.002 175.800 0.331 0.000 1.075 374 F CA -0.474 57.659 58.000 0.222 0.000 1.225 374 F CB 0.478 39.518 39.000 0.066 0.000 1.099 374 F HN 0.712 nan 8.300 nan 0.000 0.561 375 Y N 3.658 123.804 120.300 -0.256 0.000 2.256 375 Y HA -0.161 4.393 4.550 0.006 0.000 0.288 375 Y C 1.618 177.307 175.900 -0.350 0.000 1.155 375 Y CA 1.457 59.410 58.100 -0.246 0.000 1.203 375 Y CB -0.825 37.456 38.460 -0.299 0.000 0.980 375 Y HN 0.507 nan 8.280 nan 0.000 0.530 376 K N 0.785 120.346 120.400 -1.399 0.000 2.283 376 K HA -0.005 4.319 4.320 0.006 0.000 0.202 376 K C 1.900 178.237 176.600 -0.439 0.000 1.048 376 K CA 1.205 56.889 56.287 -1.005 0.000 0.948 376 K CB -0.253 31.625 32.500 -1.037 0.000 0.742 376 K HN 0.412 nan 8.250 nan 0.000 0.458 377 L N -0.276 120.763 121.223 -0.307 0.000 2.261 377 L HA -0.136 4.207 4.340 0.006 0.000 0.216 377 L C 1.147 177.703 176.870 -0.523 0.000 1.114 377 L CA 1.161 55.795 54.840 -0.343 0.000 0.777 377 L CB -0.193 41.636 42.059 -0.384 0.000 0.910 377 L HN 0.122 nan 8.230 nan 0.000 0.440 378 F N -1.382 118.502 119.950 -0.110 0.000 2.654 378 F HA 0.166 4.697 4.527 0.006 0.000 0.303 378 F C 0.749 176.476 175.800 -0.122 0.000 1.099 378 F CA -1.045 56.916 58.000 -0.066 0.000 1.270 378 F CB 0.012 39.019 39.000 0.013 0.000 1.024 378 F HN -0.085 nan 8.300 nan 0.000 0.548 379 D N 0.688 121.059 120.400 -0.049 0.000 2.425 379 D HA 0.073 4.717 4.640 0.006 0.000 0.247 379 D C 0.929 177.203 176.300 -0.042 0.000 1.147 379 D CA 0.495 54.452 54.000 -0.072 0.000 0.879 379 D CB 0.877 41.598 40.800 -0.132 0.000 1.179 379 D HN 0.156 nan 8.370 nan 0.000 0.456 380 T N -0.335 114.204 114.554 -0.025 0.000 3.293 380 T HA 0.210 4.564 4.350 0.006 0.000 0.276 380 T C 1.178 175.867 174.700 -0.018 0.000 1.003 380 T CA -0.562 61.530 62.100 -0.014 0.000 0.916 380 T CB 0.289 69.159 68.868 0.004 0.000 1.134 380 T HN 0.151 nan 8.240 nan 0.000 0.530 381 S N 1.160 116.843 115.700 -0.027 0.000 2.371 381 S HA 0.214 4.687 4.470 0.006 0.000 0.224 381 S C 1.514 176.103 174.600 -0.019 0.000 1.029 381 S CA 0.621 58.808 58.200 -0.022 0.000 0.978 381 S CB -0.384 62.801 63.200 -0.026 0.000 0.833 381 S HN 0.820 nan 8.310 nan 0.000 0.466 382 G N 1.997 110.784 108.800 -0.021 0.000 2.457 382 G HA2 0.232 4.196 3.960 0.006 0.000 0.316 382 G HA3 0.232 4.196 3.960 0.006 0.000 0.316 382 G C 0.240 175.124 174.900 -0.027 0.000 1.030 382 G CA -0.529 44.553 45.100 -0.030 0.000 1.073 382 G HN 0.243 nan 8.290 nan 0.000 0.430 383 N N 1.262 119.945 118.700 -0.028 0.000 2.463 383 N HA -0.008 4.736 4.740 0.006 0.000 0.181 383 N C 0.738 176.230 175.510 -0.029 0.000 1.078 383 N CA 0.380 53.417 53.050 -0.023 0.000 0.902 383 N CB 0.525 39.001 38.487 -0.018 0.000 0.970 383 N HN 0.446 nan 8.380 nan 0.000 0.451 384 E N 0.000 120.174 120.200 -0.043 0.000 2.725 384 E HA 0.000 4.354 4.350 0.006 0.000 0.291 384 E CA 0.000 56.370 56.400 -0.051 0.000 0.976 384 E CB 0.000 29.649 29.700 -0.085 0.000 0.812 384 E HN 0.000 nan 8.360 nan 0.000 0.440