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_B 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 YYGYYDATPQ IGSTESHDYV cDYLFMEPGT YNASTVGKFL DATA SEQUENCE VYPTKSYcMD TMNITVPVQA VQSIWSEQYA SDDAIGQAcK APYcIFYNKT DATA SEQUENCE TPYTVTNGSD ANHGDDEVRM MMQGLLRNSS cISPQGSTPL ALYSTEMIYE DATA SEQUENCE PNYGScPQFY KLFD 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 0.000 174.723 174.700 0.039 0.000 1.109 16 T CA 0.000 62.107 62.100 0.011 0.000 1.349 16 T CB 0.000 68.861 68.868 -0.012 0.000 0.612 17 P HA 0.417 nan 4.420 nan 0.000 0.271 17 P C -0.105 177.217 177.300 0.038 0.000 1.216 17 P CA -0.558 62.579 63.100 0.061 0.000 0.776 17 P CB 0.622 32.300 31.700 -0.037 0.000 0.881 18 V N -0.048 119.911 119.914 0.074 0.000 2.716 18 V HA 0.616 4.443 4.120 -0.487 0.000 0.304 18 V C -0.120 176.014 176.094 0.066 0.000 1.053 18 V CA -0.335 61.995 62.300 0.050 0.000 0.984 18 V CB 1.540 33.385 31.823 0.036 0.000 1.021 18 V HN 0.460 nan 8.190 nan 0.000 0.467 19 T N 4.667 119.254 114.554 0.055 0.000 2.758 19 T HA 0.524 4.582 4.350 -0.487 0.000 0.285 19 T C -2.570 172.169 174.700 0.065 0.000 0.981 19 T CA -0.812 61.323 62.100 0.059 0.000 0.965 19 T CB 1.226 70.122 68.868 0.046 0.000 0.927 19 T HN 0.759 nan 8.240 nan 0.000 0.448 20 P HA 0.059 nan 4.420 nan 0.000 0.265 20 P C -1.093 176.260 177.300 0.089 0.000 1.193 20 P CA -0.306 62.835 63.100 0.069 0.000 0.765 20 P CB 0.228 31.965 31.700 0.061 0.000 0.823 21 Y N 3.478 123.767 120.300 -0.019 0.000 2.404 21 Y HA 0.223 4.480 4.550 -0.488 0.000 0.344 21 Y C -0.205 175.675 175.900 -0.032 0.000 0.995 21 Y CA -0.732 57.351 58.100 -0.029 0.000 1.201 21 Y CB 0.000 38.413 38.460 -0.079 0.000 1.151 21 Y HN 0.339 nan 8.280 nan 0.000 0.517 22 Y N 6.290 126.286 120.300 -0.507 0.000 2.605 22 Y HA 0.432 4.690 4.550 -0.487 0.000 0.336 22 Y C 0.452 176.134 175.900 -0.365 0.000 1.111 22 Y CA 1.007 58.908 58.100 -0.330 0.000 1.422 22 Y CB -0.254 38.032 38.460 -0.291 0.000 1.193 22 Y HN 0.855 nan 8.280 nan 0.000 0.526 23 G N 6.121 114.310 108.800 -1.018 0.000 2.361 23 G HA2 0.079 3.746 3.960 -0.487 0.000 0.305 23 G HA3 0.079 3.746 3.960 -0.487 0.000 0.305 23 G C -3.397 170.752 174.900 -1.253 0.000 1.367 23 G CA -1.179 43.259 45.100 -1.103 0.000 0.951 23 G HN 0.420 nan 8.290 nan 0.000 0.615 24 P HA 0.590 nan 4.420 nan 0.000 0.275 24 P C 0.459 177.522 177.300 -0.394 0.000 1.266 24 P CA 0.608 63.288 63.100 -0.700 0.000 0.793 24 P CB 1.671 33.156 31.700 -0.358 0.000 1.074 25 G N -0.807 107.822 108.800 -0.286 0.000 2.548 25 G HA2 0.622 4.289 3.960 -0.487 0.000 0.301 25 G HA3 0.622 4.289 3.960 -0.487 0.000 0.301 25 G C -1.984 172.729 174.900 -0.311 0.000 1.349 25 G CA -0.674 44.211 45.100 -0.358 0.000 0.792 25 G HN 0.935 nan 8.290 nan 0.000 0.481 26 H N -2.468 116.377 119.070 -0.376 0.000 3.012 26 H HA 0.670 4.934 4.556 -0.487 0.000 0.367 26 H C -0.338 174.903 175.328 -0.145 0.000 1.211 26 H CA -1.014 54.855 56.048 -0.298 0.000 1.139 26 H CB 1.386 30.732 29.762 -0.693 0.000 1.838 26 H HN 0.348 nan 8.280 nan 0.000 0.550 27 I N 0.544 121.180 120.570 0.111 0.000 3.939 27 I HA 0.105 3.983 4.170 -0.487 0.000 0.313 27 I C 0.470 176.698 176.117 0.186 0.000 1.274 27 I CA 0.803 62.160 61.300 0.096 0.000 1.301 27 I CB 0.645 38.718 38.000 0.122 0.000 1.105 27 I HN 0.859 nan 8.210 nan 0.000 0.427 28 T N -2.605 112.097 114.554 0.248 0.000 2.831 28 T HA 0.267 4.325 4.350 -0.487 0.000 0.287 28 T C 0.773 175.641 174.700 0.279 0.000 1.070 28 T CA -0.669 61.575 62.100 0.242 0.000 1.010 28 T CB 1.133 70.064 68.868 0.105 0.000 1.264 28 T HN 0.135 nan 8.240 nan 0.000 0.532 29 F N 0.107 120.171 119.950 0.189 0.000 2.307 29 F HA 0.133 4.368 4.527 -0.487 0.000 0.301 29 F C 0.891 176.745 175.800 0.089 0.000 1.076 29 F CA 0.806 58.883 58.000 0.129 0.000 1.383 29 F CB -0.712 38.319 39.000 0.052 0.000 1.055 29 F HN 0.457 nan 8.300 nan 0.000 0.526 30 D N 2.653 122.521 120.400 -0.887 0.000 2.713 30 D HA 0.042 4.389 4.640 -0.487 0.000 0.229 30 D C -0.598 175.567 176.300 -0.226 0.000 1.136 30 D CA -0.173 53.358 54.000 -0.781 0.000 1.010 30 D CB -0.510 39.756 40.800 -0.889 0.000 1.084 30 D HN 0.532 nan 8.370 nan 0.000 0.495 31 W N 1.895 123.005 121.300 -0.316 0.000 2.962 31 W HA 0.600 4.967 4.660 -0.488 0.000 0.341 31 W C -1.065 175.286 176.519 -0.280 0.000 1.155 31 W CA -1.279 55.924 57.345 -0.237 0.000 1.165 31 W CB 0.182 29.535 29.460 -0.179 0.000 1.435 31 W HN 0.184 nan 8.180 nan 0.000 0.546 32 C N 0.216 119.365 119.300 -0.252 0.000 3.241 32 C HA 0.999 5.167 4.460 -0.487 0.000 0.312 32 C C -0.040 174.573 174.990 -0.629 0.000 1.350 32 C CA -0.130 58.486 59.018 -0.669 0.000 1.415 32 C CB 1.520 28.878 27.740 -0.637 0.000 1.770 32 C HN 1.177 nan 8.230 nan 0.000 0.466 33 G N 0.158 108.290 108.800 -1.113 0.000 2.519 33 G HA2 0.804 4.471 3.960 -0.487 0.000 0.307 33 G HA3 0.804 4.471 3.960 -0.487 0.000 0.307 33 G C -1.779 172.447 174.900 -1.123 0.000 1.266 33 G CA -0.507 43.733 45.100 -1.433 0.000 0.970 33 G HN 0.657 nan 8.290 nan 0.000 0.481 34 F N 0.351 120.133 119.950 -0.280 0.000 2.518 34 F HA 0.763 5.000 4.527 -0.484 0.000 0.323 34 F C 0.706 176.800 175.800 0.491 0.000 1.129 34 F CA -0.235 57.868 58.000 0.172 0.000 0.920 34 F CB 2.754 41.766 39.000 0.021 0.000 1.160 34 F HN 0.820 nan 8.300 nan 0.000 0.440 35 G N 1.437 110.713 108.800 0.793 0.000 2.731 35 G HA2 0.593 4.261 3.960 -0.487 0.000 0.309 35 G HA3 0.593 4.261 3.960 -0.487 0.000 0.309 35 G C -1.882 173.293 174.900 0.458 0.000 1.273 35 G CA -0.581 44.876 45.100 0.594 0.000 0.798 35 G HN 0.520 nan 8.290 nan 0.000 0.509 36 D N -2.591 117.939 120.400 0.216 0.000 3.096 36 D HA 0.361 4.709 4.640 -0.487 0.000 0.277 36 D C 1.864 178.201 176.300 0.061 0.000 1.256 36 D CA 0.772 54.851 54.000 0.131 0.000 1.044 36 D CB -0.090 40.750 40.800 0.068 0.000 1.318 36 D HN 0.602 nan 8.370 nan 0.000 0.622 37 S N -0.516 115.227 115.700 0.072 0.000 2.387 37 S HA -0.241 3.937 4.470 -0.487 0.000 0.230 37 S C 1.674 176.362 174.600 0.148 0.000 1.035 37 S CA 1.076 59.350 58.200 0.124 0.000 1.014 37 S CB -0.645 62.735 63.200 0.300 0.000 0.836 37 S HN 0.441 nan 8.310 nan 0.000 0.466 38 R N 1.651 122.225 120.500 0.124 0.000 2.316 38 R HA 0.105 4.153 4.340 -0.487 0.000 0.202 38 R C 1.085 177.434 176.300 0.083 0.000 1.029 38 R CA 1.007 57.203 56.100 0.159 0.000 1.018 38 R CB -0.123 30.265 30.300 0.146 0.000 0.888 38 R HN 0.684 nan 8.270 nan 0.000 0.471 39 S N -1.190 114.508 115.700 -0.003 0.000 2.977 39 S HA 0.117 4.294 4.470 -0.487 0.000 0.250 39 S C -0.703 173.847 174.600 -0.084 0.000 1.005 39 S CA -0.816 57.286 58.200 -0.162 0.000 1.081 39 S CB 0.527 63.420 63.200 -0.513 0.000 1.018 39 S HN -0.036 nan 8.310 nan 0.000 0.539 40 D N 0.847 121.230 120.400 -0.028 0.000 2.464 40 D HA 0.385 4.732 4.640 -0.487 0.000 0.243 40 D C 0.503 176.788 176.300 -0.026 0.000 1.104 40 D CA -0.578 53.402 54.000 -0.033 0.000 0.883 40 D CB 0.797 41.568 40.800 -0.049 0.000 1.050 40 D HN 0.178 nan 8.370 nan 0.000 0.524 41 c N 1.925 120.512 118.600 -0.021 0.000 2.491 41 c HA -0.057 4.221 4.570 -0.487 0.000 0.277 41 c C 2.367 176.447 174.090 -0.016 0.000 1.455 41 c CA 1.335 57.655 56.329 -0.014 0.000 1.758 41 c CB -1.308 41.199 42.510 -0.005 0.000 1.745 41 c HN 0.777 nan 8.230 nan 0.000 0.558 42 T N -1.674 112.866 114.554 -0.024 0.000 3.118 42 T HA -0.054 4.004 4.350 -0.487 0.000 0.260 42 T C 0.620 175.302 174.700 -0.030 0.000 1.139 42 T CA 0.231 62.317 62.100 -0.024 0.000 1.085 42 T CB -0.498 68.353 68.868 -0.028 0.000 0.934 42 T HN 0.495 nan 8.240 nan 0.000 0.518 43 N N 2.769 121.449 118.700 -0.034 0.000 2.483 43 N HA 0.093 4.540 4.740 -0.487 0.000 0.264 43 N C -1.810 173.677 175.510 -0.038 0.000 1.197 43 N CA -1.506 51.518 53.050 -0.044 0.000 0.927 43 N CB 1.659 40.114 38.487 -0.054 0.000 1.065 43 N HN 0.031 nan 8.380 nan 0.000 0.461 44 P HA -0.096 nan 4.420 nan 0.000 0.219 44 P C 0.534 177.815 177.300 -0.032 0.000 1.146 44 P CA 1.189 64.270 63.100 -0.032 0.000 0.808 44 P CB 0.357 32.038 31.700 -0.032 0.000 0.779 45 Q N -1.080 118.692 119.800 -0.047 0.000 2.360 45 Q HA 0.116 4.164 4.340 -0.487 0.000 0.202 45 Q C 0.668 176.654 176.000 -0.023 0.000 0.915 45 Q CA 0.140 55.919 55.803 -0.040 0.000 0.943 45 Q CB -0.312 28.388 28.738 -0.064 0.000 1.064 45 Q HN 0.147 nan 8.270 nan 0.000 0.511 46 S N 3.004 118.692 115.700 -0.020 0.000 2.549 46 S HA 0.102 4.279 4.470 -0.487 0.000 0.286 46 S C -1.426 173.174 174.600 0.000 0.000 1.314 46 S CA -0.896 57.301 58.200 -0.005 0.000 1.062 46 S CB 0.686 63.881 63.200 -0.008 0.000 0.865 46 S HN 0.098 nan 8.310 nan 0.000 0.498 47 P HA 0.169 nan 4.420 nan 0.000 0.261 47 P C 0.822 178.139 177.300 0.028 0.000 1.268 47 P CA 0.098 63.207 63.100 0.016 0.000 0.833 47 P CB 0.128 31.837 31.700 0.014 0.000 1.231 48 M N 0.879 120.495 119.600 0.027 0.000 2.213 48 M HA -0.096 4.091 4.480 -0.487 0.000 0.263 48 M C 1.922 178.267 176.300 0.075 0.000 1.062 48 M CA 1.806 57.132 55.300 0.044 0.000 1.105 48 M CB -1.084 31.536 32.600 0.034 0.000 1.385 48 M HN -0.018 nan 8.290 nan 0.000 0.417 49 S N -0.851 114.884 115.700 0.057 0.000 2.603 49 S HA 0.192 4.369 4.470 -0.487 0.000 0.220 49 S C 0.589 175.296 174.600 0.179 0.000 0.967 49 S CA -0.132 58.126 58.200 0.096 0.000 0.920 49 S CB -0.660 62.499 63.200 -0.068 0.000 0.773 49 S HN 0.333 nan 8.310 nan 0.000 0.529 50 L N 1.623 122.916 121.223 0.118 0.000 2.357 50 L HA 0.414 4.462 4.340 -0.487 0.000 0.273 50 L C 0.435 177.378 176.870 0.121 0.000 1.080 50 L CA -0.564 54.337 54.840 0.103 0.000 0.803 50 L CB 0.918 43.000 42.059 0.039 0.000 1.174 50 L HN 0.030 nan 8.230 nan 0.000 0.443 51 D N 1.290 121.773 120.400 0.138 0.000 2.389 51 D HA 0.178 4.526 4.640 -0.487 0.000 0.206 51 D C 0.341 176.651 176.300 0.016 0.000 1.055 51 D CA 0.306 54.373 54.000 0.112 0.000 0.856 51 D CB 0.471 41.419 40.800 0.245 0.000 0.957 51 D HN 0.411 nan 8.370 nan 0.000 0.509 52 I N -2.059 118.499 120.570 -0.019 0.000 2.793 52 I HA 0.528 4.406 4.170 -0.487 0.000 0.313 52 I C -2.540 173.561 176.117 -0.026 0.000 0.998 52 I CA -2.611 58.651 61.300 -0.064 0.000 1.140 52 I CB 1.121 38.998 38.000 -0.205 0.000 1.327 52 I HN -0.389 nan 8.210 nan 0.000 0.491 53 P HA 0.036 nan 4.420 nan 0.000 0.267 53 P C 0.132 177.445 177.300 0.021 0.000 1.205 53 P CA -0.026 63.084 63.100 0.017 0.000 0.765 53 P CB 0.855 32.575 31.700 0.033 0.000 0.828 54 Q N 3.575 123.384 119.800 0.016 0.000 2.173 54 Q HA -0.302 3.746 4.340 -0.487 0.000 0.208 54 Q C 1.695 177.713 176.000 0.029 0.000 0.989 54 Q CA 1.758 57.570 55.803 0.015 0.000 0.872 54 Q CB -0.127 28.619 28.738 0.014 0.000 0.909 54 Q HN 0.470 nan 8.270 nan 0.000 0.420 55 Q N -0.179 119.646 119.800 0.042 0.000 2.437 55 Q HA -0.124 3.923 4.340 -0.487 0.000 0.210 55 Q C 1.548 177.599 176.000 0.086 0.000 0.972 55 Q CA 0.978 56.813 55.803 0.054 0.000 0.903 55 Q CB -0.087 28.683 28.738 0.053 0.000 0.967 55 Q HN 0.522 nan 8.270 nan 0.000 0.486 56 L N -0.054 121.239 121.223 0.116 0.000 2.567 56 L HA 0.055 4.102 4.340 -0.487 0.000 0.225 56 L C 2.161 179.141 176.870 0.183 0.000 1.119 56 L CA -0.351 54.611 54.840 0.203 0.000 0.871 56 L CB -0.219 42.041 42.059 0.336 0.000 1.036 56 L HN 0.232 nan 8.230 nan 0.000 0.459 57 c N 1.341 119.991 118.600 0.083 0.000 2.391 57 c HA -0.139 4.139 4.570 -0.487 0.000 0.276 57 c C 0.227 174.371 174.090 0.089 0.000 1.217 57 c CA 1.025 57.393 56.329 0.066 0.000 1.766 57 c CB -1.363 41.159 42.510 0.020 0.000 2.046 57 c HN 0.394 nan 8.230 nan 0.000 0.475 58 P HA -0.072 nan 4.420 nan 0.000 0.225 58 P C 1.318 178.561 177.300 -0.096 0.000 1.148 58 P CA 1.234 64.323 63.100 -0.017 0.000 0.779 58 P CB -0.169 31.512 31.700 -0.031 0.000 0.780 59 K N -1.637 118.696 120.400 -0.111 0.000 2.426 59 K HA 0.130 4.158 4.320 -0.487 0.000 0.193 59 K C 0.288 176.636 176.600 -0.421 0.000 1.028 59 K CA 0.270 56.299 56.287 -0.431 0.000 1.047 59 K CB -0.084 31.917 32.500 -0.831 0.000 0.821 59 K HN 0.232 nan 8.250 nan 0.000 0.513 60 F N 0.161 119.974 119.950 -0.228 0.000 2.450 60 F HA 0.202 4.437 4.527 -0.486 0.000 0.332 60 F C 0.635 176.370 175.800 -0.110 0.000 1.093 60 F CA -0.838 57.069 58.000 -0.154 0.000 1.003 60 F CB 1.766 40.763 39.000 -0.005 0.000 1.151 60 F HN -0.350 nan 8.300 nan 0.000 0.474 61 S N 2.364 118.092 115.700 0.047 0.000 2.461 61 S HA 0.692 4.870 4.470 -0.487 0.000 0.322 61 S C -0.857 174.029 174.600 0.476 0.000 1.063 61 S CA -0.145 58.206 58.200 0.252 0.000 1.120 61 S CB 0.008 63.341 63.200 0.222 0.000 0.968 61 S HN 0.581 nan 8.310 nan 0.000 0.467 62 S N 3.281 119.108 115.700 0.212 0.000 2.541 62 S HA 0.682 4.860 4.470 -0.487 0.000 0.271 62 S C -1.456 172.828 174.600 -0.528 0.000 1.133 62 S CA -0.848 57.384 58.200 0.053 0.000 0.876 62 S CB 1.858 65.156 63.200 0.163 0.000 1.105 62 S HN 0.654 nan 8.310 nan 0.000 0.470 63 K N 1.303 121.421 120.400 -0.471 0.000 2.553 63 K HA 0.500 4.527 4.320 -0.487 0.000 0.250 63 K C -0.864 175.652 176.600 -0.140 0.000 0.953 63 K CA -0.328 55.658 56.287 -0.502 0.000 0.800 63 K CB 1.458 33.420 32.500 -0.895 0.000 1.243 63 K HN 0.536 nan 8.250 nan 0.000 0.435 64 S N 2.346 117.993 115.700 -0.088 0.000 2.593 64 S HA 0.053 4.231 4.470 -0.487 0.000 0.300 64 S C 0.177 174.796 174.600 0.031 0.000 1.267 64 S CA 1.043 59.243 58.200 0.001 0.000 1.065 64 S CB -0.009 63.186 63.200 -0.009 0.000 0.807 64 S HN 0.769 nan 8.310 nan 0.000 0.499 65 S N 0.405 116.153 115.700 0.080 0.000 2.857 65 S HA -0.172 4.006 4.470 -0.487 0.000 0.268 65 S C 0.435 175.105 174.600 0.117 0.000 1.297 65 S CA 1.238 59.493 58.200 0.091 0.000 1.280 65 S CB -1.172 62.062 63.200 0.056 0.000 1.562 65 S HN 0.753 nan 8.310 nan 0.000 0.661 66 S N 0.605 116.399 115.700 0.157 0.000 2.730 66 S HA 0.826 5.004 4.470 -0.487 0.000 0.284 66 S C -0.078 174.753 174.600 0.384 0.000 1.153 66 S CA 0.335 58.702 58.200 0.279 0.000 0.995 66 S CB 1.594 64.986 63.200 0.320 0.000 1.058 66 S HN 0.953 nan 8.310 nan 0.000 0.552 67 S N 1.215 117.216 115.700 0.503 0.000 2.607 67 S HA 0.426 4.603 4.470 -0.487 0.000 0.273 67 S C 0.626 175.515 174.600 0.483 0.000 1.148 67 S CA -0.817 57.686 58.200 0.506 0.000 0.833 67 S CB 0.853 64.331 63.200 0.464 0.000 1.130 67 S HN 0.641 nan 8.310 nan 0.000 0.470 68 M N 0.322 120.048 119.600 0.211 0.000 2.254 68 M HA 0.093 4.281 4.480 -0.487 0.000 0.265 68 M C 1.601 177.909 176.300 0.014 0.000 1.066 68 M CA 1.444 56.764 55.300 0.034 0.000 1.123 68 M CB -0.479 32.066 32.600 -0.091 0.000 1.388 68 M HN 0.768 nan 8.290 nan 0.000 0.425 69 F N 1.291 121.081 119.950 -0.266 0.000 2.084 69 F HA -0.145 4.089 4.527 -0.489 0.000 0.296 69 F C 2.031 177.721 175.800 -0.183 0.000 1.111 69 F CA 1.366 58.930 58.000 -0.727 0.000 1.224 69 F CB -0.503 38.255 39.000 -0.402 0.000 0.991 69 F HN -0.049 nan 8.300 nan 0.000 0.471 70 L N -0.485 120.818 121.223 0.133 0.000 2.043 70 L HA -0.266 3.781 4.340 -0.487 0.000 0.212 70 L C 2.368 179.421 176.870 0.306 0.000 1.075 70 L CA 2.068 57.099 54.840 0.318 0.000 0.752 70 L CB -0.628 41.698 42.059 0.445 0.000 0.891 70 L HN 0.136 nan 8.230 nan 0.000 0.432 71 S N -0.405 115.448 115.700 0.254 0.000 2.423 71 S HA -0.131 4.046 4.470 -0.487 0.000 0.231 71 S C 1.676 176.275 174.600 -0.002 0.000 1.014 71 S CA 1.097 59.435 58.200 0.230 0.000 0.965 71 S CB -0.259 63.191 63.200 0.417 0.000 0.785 71 S HN 0.381 nan 8.310 nan 0.000 0.495 72 L N 1.327 122.438 121.223 -0.186 0.000 2.046 72 L HA -0.092 3.955 4.340 -0.487 0.000 0.208 72 L C 1.981 178.567 176.870 -0.475 0.000 1.077 72 L CA 1.949 56.541 54.840 -0.412 0.000 0.747 72 L CB -0.476 41.228 42.059 -0.591 0.000 0.896 72 L HN 0.321 nan 8.230 nan 0.000 0.432 73 H N -2.516 116.289 119.070 -0.442 0.000 2.520 73 H HA 0.103 4.372 4.556 -0.478 0.000 0.279 73 H C -0.214 174.648 175.328 -0.776 0.000 0.990 73 H CA 0.396 55.997 56.048 -0.746 0.000 1.288 73 H CB 0.244 29.211 29.762 -1.325 0.000 1.446 73 H HN 0.263 nan 8.280 nan 0.000 0.538 74 W N 1.408 122.664 121.300 -0.074 0.000 2.936 74 W HA 0.255 4.630 4.660 -0.474 0.000 0.338 74 W C -0.017 176.490 176.519 -0.020 0.000 1.121 74 W CA -0.737 56.570 57.345 -0.063 0.000 1.209 74 W CB 1.177 30.559 29.460 -0.129 0.000 1.420 74 W HN -0.077 nan 8.180 nan 0.000 0.516 75 N N 1.137 119.947 118.700 0.183 0.000 2.531 75 N HA 0.163 4.611 4.740 -0.487 0.000 0.301 75 N C -0.210 175.266 175.510 -0.058 0.000 1.310 75 N CA -0.446 52.622 53.050 0.029 0.000 0.949 75 N CB 0.012 38.462 38.487 -0.062 0.000 1.111 75 N HN 0.237 nan 8.380 nan 0.000 0.565 76 N N 1.082 119.678 118.700 -0.173 0.000 2.475 76 N HA 0.129 4.577 4.740 -0.487 0.000 0.267 76 N C -0.446 174.776 175.510 -0.479 0.000 1.169 76 N CA 0.441 53.396 53.050 -0.158 0.000 0.947 76 N CB 0.253 38.694 38.487 -0.078 0.000 1.061 76 N HN 0.377 nan 8.380 nan 0.000 0.466 77 H N -1.008 118.133 119.070 0.119 0.000 2.931 77 H HA 0.156 4.418 4.556 -0.490 0.000 0.331 77 H C 1.141 176.547 175.328 0.129 0.000 1.273 77 H CA -0.503 55.606 56.048 0.101 0.000 1.171 77 H CB 0.816 30.604 29.762 0.043 0.000 1.898 77 H HN 0.491 nan 8.280 nan 0.000 0.562 78 S N 0.459 116.308 115.700 0.247 0.000 2.365 78 S HA -0.162 4.015 4.470 -0.487 0.000 0.225 78 S C 1.240 175.889 174.600 0.083 0.000 1.039 78 S CA 1.875 60.150 58.200 0.125 0.000 1.033 78 S CB -0.443 62.805 63.200 0.081 0.000 0.887 78 S HN 0.562 nan 8.310 nan 0.000 0.447 79 S N -0.079 115.680 115.700 0.099 0.000 2.588 79 S HA 0.520 4.698 4.470 -0.487 0.000 0.245 79 S C -0.697 173.652 174.600 -0.418 0.000 1.021 79 S CA -0.890 57.217 58.200 -0.156 0.000 1.006 79 S CB -0.531 62.500 63.200 -0.281 0.000 0.830 79 S HN 0.369 nan 8.310 nan 0.000 0.468 80 F N 1.182 121.083 119.950 -0.081 0.000 2.496 80 F HA 0.469 4.704 4.527 -0.486 0.000 0.341 80 F C -0.432 175.368 175.800 0.000 0.000 1.134 80 F CA -1.125 56.824 58.000 -0.086 0.000 0.968 80 F CB 1.822 40.739 39.000 -0.138 0.000 1.205 80 F HN -0.115 nan 8.300 nan 0.000 0.436 81 V N 2.743 122.737 119.914 0.134 0.000 2.334 81 V HA 0.351 4.178 4.120 -0.487 0.000 0.267 81 V C 0.086 176.295 176.094 0.193 0.000 1.040 81 V CA -0.364 62.014 62.300 0.129 0.000 0.866 81 V CB 1.098 32.968 31.823 0.079 0.000 1.019 81 V HN 0.747 nan 8.190 nan 0.000 0.468 82 S N 5.009 120.823 115.700 0.190 0.000 2.525 82 S HA 0.702 4.879 4.470 -0.487 0.000 0.290 82 S C -1.149 173.583 174.600 0.220 0.000 1.152 82 S CA -0.421 57.913 58.200 0.222 0.000 1.072 82 S CB 0.850 64.154 63.200 0.173 0.000 1.027 82 S HN 0.659 nan 8.310 nan 0.000 0.500 83 Y N 2.360 122.700 120.300 0.068 0.000 2.457 83 Y HA 0.371 4.632 4.550 -0.482 0.000 0.343 83 Y C -0.901 174.983 175.900 -0.025 0.000 0.994 83 Y CA -0.916 57.143 58.100 -0.069 0.000 1.031 83 Y CB 1.425 39.703 38.460 -0.305 0.000 1.246 83 Y HN 0.529 nan 8.280 nan 0.000 0.449 84 D N 5.747 125.790 120.400 -0.596 0.000 2.608 84 D HA 0.062 4.409 4.640 -0.487 0.000 0.224 84 D C -0.805 175.121 176.300 -0.624 0.000 1.123 84 D CA 0.470 54.202 54.000 -0.447 0.000 1.030 84 D CB -0.677 39.949 40.800 -0.290 0.000 1.093 84 D HN 0.396 nan 8.370 nan 0.000 0.497 85 Y N 0.977 121.100 120.300 -0.294 0.000 2.895 85 Y HA 0.027 4.282 4.550 -0.491 0.000 0.334 85 Y C 0.299 176.399 175.900 0.334 0.000 1.261 85 Y CA 0.493 58.672 58.100 0.130 0.000 1.560 85 Y CB 0.162 38.935 38.460 0.522 0.000 1.253 85 Y HN 0.156 nan 8.280 nan 0.000 0.582 86 F N 4.667 124.824 119.950 0.345 0.000 2.749 86 F HA 0.454 4.692 4.527 -0.483 0.000 0.339 86 F C -1.731 174.183 175.800 0.191 0.000 1.211 86 F CA -1.231 56.924 58.000 0.258 0.000 1.099 86 F CB 0.857 39.908 39.000 0.085 0.000 1.359 86 F HN 0.553 nan 8.300 nan 0.000 0.549 87 N N 3.573 122.253 118.700 -0.032 0.000 2.859 87 N HA 0.625 5.073 4.740 -0.487 0.000 0.250 87 N C -1.947 173.442 175.510 -0.201 0.000 1.341 87 N CA -0.099 52.673 53.050 -0.463 0.000 0.881 87 N CB 2.417 40.466 38.487 -0.731 0.000 1.516 87 N HN 0.640 nan 8.380 nan 0.000 0.503 88 c N 0.249 118.664 118.600 -0.307 0.000 2.498 88 c HA 1.012 5.290 4.570 -0.487 0.000 0.316 88 c C 0.329 174.311 174.090 -0.179 0.000 1.209 88 c CA -0.716 55.532 56.329 -0.135 0.000 1.518 88 c CB 0.679 43.123 42.510 -0.110 0.000 2.147 88 c HN 0.752 nan 8.230 nan 0.000 0.483 89 G N 1.530 110.273 108.800 -0.094 0.000 2.658 89 G HA2 0.431 4.098 3.960 -0.487 0.000 0.301 89 G HA3 0.431 4.098 3.960 -0.487 0.000 0.301 89 G C -0.077 174.800 174.900 -0.039 0.000 1.481 89 G CA -0.312 44.720 45.100 -0.114 0.000 0.931 89 G HN 0.499 nan 8.290 nan 0.000 0.573 90 V N 0.832 120.707 119.914 -0.065 0.000 2.295 90 V HA -0.048 3.779 4.120 -0.487 0.000 0.246 90 V C 1.373 177.459 176.094 -0.013 0.000 1.049 90 V CA 1.921 64.195 62.300 -0.043 0.000 1.024 90 V CB -0.491 31.287 31.823 -0.075 0.000 0.648 90 V HN 0.698 nan 8.190 nan 0.000 0.447 91 E N -0.226 119.999 120.200 0.040 0.000 2.242 91 E HA 0.566 4.624 4.350 -0.487 0.000 0.275 91 E C -0.726 175.971 176.600 0.161 0.000 1.002 91 E CA -0.498 55.973 56.400 0.118 0.000 0.841 91 E CB 1.354 31.189 29.700 0.225 0.000 1.109 91 E HN 0.331 nan 8.360 nan 0.000 0.394 92 K N 1.175 121.684 120.400 0.183 0.000 2.535 92 K HA 0.432 4.459 4.320 -0.487 0.000 0.250 92 K C -1.508 175.179 176.600 0.145 0.000 0.948 92 K CA -0.645 55.720 56.287 0.130 0.000 0.796 92 K CB 2.378 34.996 32.500 0.197 0.000 1.216 92 K HN 0.165 nan 8.250 nan 0.000 0.432 93 V N 3.924 123.852 119.914 0.024 0.000 2.409 93 V HA 0.460 4.288 4.120 -0.487 0.000 0.291 93 V C -1.040 175.095 176.094 0.069 0.000 1.020 93 V CA -0.761 61.620 62.300 0.135 0.000 0.848 93 V CB 0.697 32.622 31.823 0.170 0.000 0.990 93 V HN 0.572 nan 8.190 nan 0.000 0.430 94 F N 4.663 124.829 119.950 0.361 0.000 2.427 94 F HA 0.534 4.767 4.527 -0.491 0.000 0.346 94 F C -0.335 175.770 175.800 0.509 0.000 1.120 94 F CA -0.492 57.776 58.000 0.446 0.000 1.033 94 F CB 1.529 40.752 39.000 0.372 0.000 1.126 94 F HN 0.518 nan 8.300 nan 0.000 0.462 95 Y N 3.881 124.500 120.300 0.532 0.000 2.516 95 Y HA 0.407 4.665 4.550 -0.488 0.000 0.329 95 Y C -1.254 174.856 175.900 0.350 0.000 1.095 95 Y CA -1.194 57.143 58.100 0.394 0.000 1.213 95 Y CB -0.040 38.637 38.460 0.362 0.000 1.109 95 Y HN 0.699 nan 8.280 nan 0.000 0.630 96 E N -0.186 120.150 120.200 0.227 0.000 2.454 96 E HA 0.864 4.921 4.350 -0.487 0.000 0.279 96 E C 0.241 176.883 176.600 0.071 0.000 1.029 96 E CA -0.658 55.804 56.400 0.104 0.000 0.831 96 E CB 1.318 31.198 29.700 0.299 0.000 1.405 96 E HN 0.386 nan 8.360 nan 0.000 0.463 97 G N -0.606 108.235 108.800 0.068 0.000 3.211 97 G HA2 -0.221 3.446 3.960 -0.487 0.000 0.202 97 G HA3 -0.221 3.446 3.960 -0.487 0.000 0.202 97 G C 0.870 175.787 174.900 0.029 0.000 1.035 97 G CA 0.060 45.194 45.100 0.057 0.000 0.846 97 G HN 0.850 nan 8.290 nan 0.000 0.464 98 V N 2.047 121.853 119.914 -0.180 0.000 2.490 98 V HA -0.051 3.777 4.120 -0.487 0.000 0.250 98 V C 2.057 177.934 176.094 -0.362 0.000 1.061 98 V CA 2.576 64.600 62.300 -0.459 0.000 1.064 98 V CB -0.427 30.832 31.823 -0.941 0.000 0.670 98 V HN 0.473 nan 8.190 nan 0.000 0.461 99 N N -0.643 117.980 118.700 -0.129 0.000 2.571 99 N HA -0.032 4.415 4.740 -0.487 0.000 0.189 99 N C -0.082 175.541 175.510 0.187 0.000 1.154 99 N CA 0.589 53.681 53.050 0.070 0.000 0.907 99 N CB 0.061 38.608 38.487 0.100 0.000 0.977 99 N HN 0.586 nan 8.380 nan 0.000 0.449 100 F N 0.936 120.971 119.950 0.142 0.000 2.552 100 F HA 0.294 4.532 4.527 -0.481 0.000 0.369 100 F C -0.418 175.508 175.800 0.210 0.000 1.112 100 F CA -0.393 57.730 58.000 0.207 0.000 1.129 100 F CB 0.694 39.939 39.000 0.410 0.000 1.360 100 F HN -0.307 nan 8.300 nan 0.000 0.473 101 S N 4.341 120.111 115.700 0.116 0.000 2.732 101 S HA 0.411 4.589 4.470 -0.487 0.000 0.293 101 S C -2.187 172.477 174.600 0.107 0.000 1.159 101 S CA -1.175 57.144 58.200 0.199 0.000 0.847 101 S CB 2.066 65.415 63.200 0.248 0.000 1.169 101 S HN 0.242 nan 8.310 nan 0.000 0.501 102 P HA -0.014 nan 4.420 nan 0.000 0.222 102 P C 1.404 178.734 177.300 0.049 0.000 1.147 102 P CA 0.697 63.861 63.100 0.107 0.000 0.790 102 P CB 0.111 31.890 31.700 0.133 0.000 0.780 103 R N 0.880 121.428 120.500 0.080 0.000 2.117 103 R HA -0.210 3.838 4.340 -0.487 0.000 0.243 103 R C 2.109 178.325 176.300 -0.141 0.000 1.143 103 R CA 1.768 57.835 56.100 -0.055 0.000 0.968 103 R CB -0.340 29.839 30.300 -0.202 0.000 0.863 103 R HN 0.077 nan 8.270 nan 0.000 0.444 104 K N -0.069 120.240 120.400 -0.152 0.000 2.211 104 K HA -0.129 3.899 4.320 -0.487 0.000 0.203 104 K C 0.131 176.609 176.600 -0.204 0.000 1.050 104 K CA 1.132 57.262 56.287 -0.262 0.000 0.945 104 K CB 0.333 32.555 32.500 -0.463 0.000 0.732 104 K HN 0.137 nan 8.250 nan 0.000 0.451 105 Q N -1.170 118.551 119.800 -0.130 0.000 2.487 105 Q HA -0.271 3.776 4.340 -0.487 0.000 0.279 105 Q C -1.308 174.646 176.000 -0.076 0.000 1.228 105 Q CA 0.934 56.692 55.803 -0.075 0.000 0.873 105 Q CB -2.426 26.264 28.738 -0.080 0.000 1.260 105 Q HN 0.520 nan 8.270 nan 0.000 0.471 106 Y N 0.509 120.687 120.300 -0.202 0.000 2.313 106 Y HA 0.468 4.726 4.550 -0.486 0.000 0.332 106 Y C 0.432 176.284 175.900 -0.080 0.000 1.071 106 Y CA 0.428 58.404 58.100 -0.205 0.000 1.169 106 Y CB 0.911 39.156 38.460 -0.357 0.000 1.192 106 Y HN 0.205 nan 8.280 nan 0.000 0.487 107 S N 3.612 118.818 115.700 -0.823 0.000 2.671 107 S HA 0.459 4.637 4.470 -0.487 0.000 0.277 107 S C -0.539 173.569 174.600 -0.819 0.000 1.165 107 S CA -0.404 57.467 58.200 -0.549 0.000 0.822 107 S CB 1.419 64.625 63.200 0.010 0.000 1.150 107 S HN 0.900 nan 8.310 nan 0.000 0.479 108 c N -0.961 117.508 118.600 -0.218 0.000 2.646 108 c HA 0.578 4.856 4.570 -0.487 0.000 0.428 108 c C 0.246 174.314 174.090 -0.036 0.000 1.492 108 c CA -0.096 56.158 56.329 -0.125 0.000 2.538 108 c CB -0.847 41.717 42.510 0.090 0.000 2.609 108 c HN 0.871 nan 8.230 nan 0.000 0.594 109 W N 1.460 122.870 121.300 0.185 0.000 1.961 109 W HA 0.387 4.754 4.660 -0.488 0.000 0.637 109 W C 1.184 177.783 176.519 0.132 0.000 1.366 109 W CA 0.355 57.803 57.345 0.172 0.000 1.140 109 W CB -0.094 29.500 29.460 0.224 0.000 3.438 109 W HN 0.006 nan 8.180 nan 0.000 0.760 110 D N 0.761 121.402 120.400 0.402 0.000 2.328 110 D HA -0.085 4.262 4.640 -0.487 0.000 0.226 110 D C 1.678 178.098 176.300 0.201 0.000 1.066 110 D CA 0.380 54.520 54.000 0.234 0.000 0.861 110 D CB -0.195 40.744 40.800 0.232 0.000 0.912 110 D HN 0.379 nan 8.370 nan 0.000 0.521 111 E N 0.979 121.320 120.200 0.235 0.000 2.347 111 E HA -0.001 4.056 4.350 -0.487 0.000 0.196 111 E C 1.123 177.840 176.600 0.193 0.000 1.008 111 E CA 0.730 57.245 56.400 0.192 0.000 0.852 111 E CB -0.286 29.516 29.700 0.169 0.000 0.783 111 E HN 0.080 nan 8.360 nan 0.000 0.505 112 G N 0.301 109.223 108.800 0.202 0.000 2.829 112 G HA2 -0.282 3.386 3.960 -0.487 0.000 0.628 112 G HA3 -0.282 3.386 3.960 -0.487 0.000 0.628 112 G C 0.668 175.725 174.900 0.263 0.000 1.412 112 G CA -0.052 45.153 45.100 0.176 0.000 0.864 112 G HN 0.091 nan 8.290 nan 0.000 0.544 113 V N 0.404 120.442 119.914 0.206 0.000 2.332 113 V HA -0.172 3.656 4.120 -0.487 0.000 0.248 113 V C 2.661 178.940 176.094 0.309 0.000 1.055 113 V CA 2.942 65.398 62.300 0.260 0.000 1.038 113 V CB -0.644 31.274 31.823 0.159 0.000 0.651 113 V HN 0.763 nan 8.190 nan 0.000 0.450 114 D N 0.566 121.096 120.400 0.216 0.000 2.149 114 D HA -0.122 4.226 4.640 -0.487 0.000 0.198 114 D C 2.205 178.619 176.300 0.189 0.000 0.990 114 D CA 1.510 55.621 54.000 0.186 0.000 0.839 114 D CB -0.675 40.202 40.800 0.128 0.000 0.948 114 D HN 0.476 nan 8.370 nan 0.000 0.460 115 G N -0.051 108.865 108.800 0.193 0.000 2.476 115 G HA2 -0.272 3.396 3.960 -0.487 0.000 0.218 115 G HA3 -0.272 3.396 3.960 -0.487 0.000 0.218 115 G C 1.355 176.284 174.900 0.049 0.000 1.164 115 G CA 0.608 45.771 45.100 0.106 0.000 0.768 115 G HN 0.292 nan 8.290 nan 0.000 0.560 116 W N 0.222 121.694 121.300 0.286 0.000 2.467 116 W HA 0.176 4.541 4.660 -0.492 0.000 0.275 116 W C 2.353 179.066 176.519 0.323 0.000 1.239 116 W CA -0.214 57.370 57.345 0.400 0.000 1.266 116 W CB 0.007 29.887 29.460 0.700 0.000 1.112 116 W HN 0.064 nan 8.180 nan 0.000 0.576 117 I N 0.125 120.947 120.570 0.420 0.000 2.353 117 I HA -0.202 3.676 4.170 -0.487 0.000 0.248 117 I C 2.203 178.382 176.117 0.103 0.000 1.119 117 I CA 1.516 62.971 61.300 0.259 0.000 1.417 117 I CB -1.551 36.588 38.000 0.232 0.000 1.078 117 I HN 0.048 nan 8.210 nan 0.000 0.421 118 E N 1.640 121.889 120.200 0.081 0.000 2.077 118 E HA -0.178 3.880 4.350 -0.487 0.000 0.193 118 E C 2.265 178.857 176.600 -0.013 0.000 0.989 118 E CA 1.352 57.766 56.400 0.022 0.000 0.800 118 E CB -0.312 29.397 29.700 0.015 0.000 0.746 118 E HN 0.460 nan 8.360 nan 0.000 0.452 119 L N 0.354 121.553 121.223 -0.040 0.000 2.093 119 L HA -0.127 3.921 4.340 -0.487 0.000 0.208 119 L C 2.743 179.514 176.870 -0.165 0.000 1.085 119 L CA 1.554 56.407 54.840 0.022 0.000 0.755 119 L CB -0.615 41.400 42.059 -0.073 0.000 0.904 119 L HN 0.183 nan 8.230 nan 0.000 0.435 120 K N 0.180 120.258 120.400 -0.536 0.000 2.032 120 K HA -0.195 3.832 4.320 -0.487 0.000 0.209 120 K C 2.013 178.405 176.600 -0.347 0.000 1.048 120 K CA 2.139 57.781 56.287 -1.074 0.000 0.927 120 K CB -0.099 32.037 32.500 -0.606 0.000 0.712 120 K HN 0.222 nan 8.250 nan 0.000 0.441 121 T N 0.913 115.379 114.554 -0.148 0.000 2.684 121 T HA -0.132 3.925 4.350 -0.487 0.000 0.267 121 T C 1.867 176.512 174.700 -0.092 0.000 1.036 121 T CA 1.536 63.597 62.100 -0.066 0.000 1.148 121 T CB -0.224 68.627 68.868 -0.029 0.000 0.863 121 T HN 0.347 nan 8.240 nan 0.000 0.436 122 R N 0.066 120.529 120.500 -0.063 0.000 2.091 122 R HA -0.057 3.990 4.340 -0.487 0.000 0.238 122 R C 2.252 178.435 176.300 -0.195 0.000 1.136 122 R CA 1.603 57.697 56.100 -0.010 0.000 0.959 122 R CB -0.606 29.819 30.300 0.209 0.000 0.856 122 R HN 0.411 nan 8.270 nan 0.000 0.437 123 F N 0.553 120.114 119.950 -0.647 0.000 2.075 123 F HA -0.228 3.998 4.527 -0.501 0.000 0.297 123 F C 1.744 177.099 175.800 -0.741 0.000 1.113 123 F CA 1.354 58.742 58.000 -1.020 0.000 1.218 123 F CB -0.525 37.803 39.000 -1.121 0.000 0.984 123 F HN -0.084 nan 8.300 nan 0.000 0.472 124 Y N 0.817 120.590 120.300 -0.877 0.000 2.274 124 Y HA -0.189 4.074 4.550 -0.478 0.000 0.290 124 Y C 2.682 177.875 175.900 -1.178 0.000 1.145 124 Y CA 1.871 59.228 58.100 -1.237 0.000 1.203 124 Y CB -1.301 36.631 38.460 -0.880 0.000 0.984 124 Y HN 0.067 nan 8.280 nan 0.000 0.533 125 T N -0.291 113.970 114.554 -0.487 0.000 2.684 125 T HA -0.240 3.817 4.350 -0.487 0.000 0.267 125 T C 1.930 176.370 174.700 -0.432 0.000 1.036 125 T CA 1.877 63.810 62.100 -0.277 0.000 1.148 125 T CB -0.226 68.569 68.868 -0.122 0.000 0.863 125 T HN 0.048 nan 8.240 nan 0.000 0.436 126 K N 0.872 121.003 120.400 -0.447 0.000 2.057 126 K HA 0.058 4.086 4.320 -0.487 0.000 0.206 126 K C 2.060 178.380 176.600 -0.467 0.000 1.050 126 K CA 0.817 56.881 56.287 -0.372 0.000 0.935 126 K CB -0.808 31.570 32.500 -0.203 0.000 0.715 126 K HN 0.203 nan 8.250 nan 0.000 0.439 127 L N -0.027 120.718 121.223 -0.796 0.000 1.989 127 L HA -0.197 3.851 4.340 -0.487 0.000 0.211 127 L C 1.817 178.394 176.870 -0.488 0.000 1.071 127 L CA 1.778 56.137 54.840 -0.800 0.000 0.749 127 L CB -0.680 40.569 42.059 -1.350 0.000 0.890 127 L HN 0.231 nan 8.230 nan 0.000 0.431 128 Y N 0.098 120.130 120.300 -0.446 0.000 2.128 128 Y HA -0.266 3.993 4.550 -0.484 0.000 0.284 128 Y C 2.728 178.540 175.900 -0.146 0.000 1.154 128 Y CA 1.479 59.432 58.100 -0.245 0.000 1.149 128 Y CB -1.267 37.177 38.460 -0.027 0.000 0.976 128 Y HN 0.374 nan 8.280 nan 0.000 0.505 129 Q N -0.664 118.998 119.800 -0.230 0.000 2.030 129 Q HA -0.216 3.831 4.340 -0.487 0.000 0.204 129 Q C 2.330 178.281 176.000 -0.082 0.000 0.986 129 Q CA 1.983 57.606 55.803 -0.300 0.000 0.843 129 Q CB -0.320 28.124 28.738 -0.490 0.000 0.904 129 Q HN 0.486 nan 8.270 nan 0.000 0.420 130 M N -0.371 119.182 119.600 -0.077 0.000 2.229 130 M HA -0.097 4.090 4.480 -0.487 0.000 0.264 130 M C 2.295 178.614 176.300 0.031 0.000 1.063 130 M CA 1.114 56.423 55.300 0.014 0.000 1.114 130 M CB -0.211 32.387 32.600 -0.002 0.000 1.387 130 M HN 0.245 nan 8.290 nan 0.000 0.420 131 A N 0.577 123.410 122.820 0.021 0.000 1.978 131 A HA -0.176 3.852 4.320 -0.487 0.000 0.220 131 A C 2.205 179.859 177.584 0.116 0.000 1.170 131 A CA 2.211 54.306 52.037 0.096 0.000 0.636 131 A CB -1.272 17.842 19.000 0.190 0.000 0.810 131 A HN 0.610 nan 8.150 nan 0.000 0.448 132 T N -2.793 111.824 114.554 0.105 0.000 3.035 132 T HA -0.069 3.989 4.350 -0.487 0.000 0.268 132 T C 1.313 176.049 174.700 0.060 0.000 1.109 132 T CA 1.786 63.940 62.100 0.089 0.000 1.119 132 T CB -0.783 68.147 68.868 0.104 0.000 0.900 132 T HN 0.621 nan 8.240 nan 0.000 0.503 133 T N -1.090 113.505 114.554 0.068 0.000 3.174 133 T HA 0.492 4.550 4.350 -0.487 0.000 0.269 133 T C 0.196 174.935 174.700 0.065 0.000 1.017 133 T CA -0.662 61.477 62.100 0.064 0.000 0.899 133 T CB 0.041 68.957 68.868 0.080 0.000 1.077 133 T HN 0.254 nan 8.240 nan 0.000 0.552 134 S N 0.189 115.927 115.700 0.065 0.000 2.599 134 S HA 0.614 4.792 4.470 -0.487 0.000 0.294 134 S C 0.487 175.126 174.600 0.065 0.000 1.094 134 S CA -1.091 57.147 58.200 0.063 0.000 0.931 134 S CB 3.088 66.327 63.200 0.064 0.000 1.093 134 S HN 0.263 nan 8.310 nan 0.000 0.488 135 R N -0.328 120.209 120.500 0.061 0.000 2.102 135 R HA 0.302 4.350 4.340 -0.487 0.000 0.208 135 R C -0.178 176.174 176.300 0.087 0.000 1.131 135 R CA 0.617 56.750 56.100 0.054 0.000 1.054 135 R CB -0.059 30.259 30.300 0.030 0.000 0.954 135 R HN 0.681 nan 8.270 nan 0.000 0.465 136 c N 1.346 120.012 118.600 0.111 0.000 2.365 136 c HA 0.569 4.847 4.570 -0.487 0.000 0.351 136 c C -0.172 174.050 174.090 0.220 0.000 1.240 136 c CA -0.686 55.752 56.329 0.181 0.000 2.062 136 c CB 0.643 43.288 42.510 0.224 0.000 2.387 136 c HN 0.392 nan 8.230 nan 0.000 0.537 137 I N 2.918 123.688 120.570 0.334 0.000 2.478 137 I HA 0.434 4.311 4.170 -0.487 0.000 0.287 137 I C -0.379 176.052 176.117 0.522 0.000 1.042 137 I CA -0.264 61.235 61.300 0.332 0.000 1.067 137 I CB 1.288 39.414 38.000 0.210 0.000 1.233 137 I HN 0.573 nan 8.210 nan 0.000 0.431 138 K N 6.376 127.028 120.400 0.420 0.000 2.541 138 K HA 0.419 4.447 4.320 -0.487 0.000 0.250 138 K C -1.608 175.099 176.600 0.179 0.000 0.950 138 K CA -0.805 55.679 56.287 0.328 0.000 0.805 138 K CB 2.123 34.626 32.500 0.006 0.000 1.166 138 K HN 0.431 nan 8.250 nan 0.000 0.430 139 L N 7.236 128.530 121.223 0.119 0.000 2.369 139 L HA 0.359 4.407 4.340 -0.487 0.000 0.279 139 L C -0.597 176.166 176.870 -0.177 0.000 1.108 139 L CA 0.108 54.798 54.840 -0.249 0.000 0.852 139 L CB 0.134 42.018 42.059 -0.291 0.000 1.169 139 L HN 0.563 nan 8.230 nan 0.000 0.452 140 I N 1.721 122.185 120.570 -0.177 0.000 2.693 140 I HA 0.531 4.408 4.170 -0.487 0.000 0.303 140 I C -0.563 175.481 176.117 -0.121 0.000 1.025 140 I CA -0.932 60.294 61.300 -0.123 0.000 1.086 140 I CB 1.660 39.619 38.000 -0.069 0.000 1.268 140 I HN 0.405 nan 8.210 nan 0.000 0.440 141 Q N 4.562 124.304 119.800 -0.097 0.000 2.267 141 Q HA 0.516 4.564 4.340 -0.487 0.000 0.255 141 Q C -0.782 175.181 176.000 -0.062 0.000 0.923 141 Q CA -0.405 55.350 55.803 -0.081 0.000 0.925 141 Q CB 2.178 30.877 28.738 -0.065 0.000 1.195 141 Q HN 0.629 nan 8.270 nan 0.000 0.417 142 L N 1.853 123.041 121.223 -0.060 0.000 2.379 142 L HA 0.235 4.283 4.340 -0.487 0.000 0.269 142 L C 0.764 177.621 176.870 -0.021 0.000 1.084 142 L CA -0.881 53.933 54.840 -0.043 0.000 0.802 142 L CB 0.643 42.670 42.059 -0.053 0.000 1.175 142 L HN 0.326 nan 8.230 nan 0.000 0.448 143 Q N 1.326 121.116 119.800 -0.015 0.000 2.364 143 Q HA 0.236 4.284 4.340 -0.487 0.000 0.267 143 Q C -0.039 175.957 176.000 -0.006 0.000 0.999 143 Q CA -0.207 55.588 55.803 -0.012 0.000 0.886 143 Q CB 1.233 29.960 28.738 -0.018 0.000 1.243 143 Q HN 0.685 nan 8.270 nan 0.000 0.415 144 A N 4.656 127.473 122.820 -0.005 0.000 2.531 144 A HA 0.282 4.309 4.320 -0.487 0.000 0.236 144 A C -1.904 175.628 177.584 -0.086 0.000 1.062 144 A CA -0.841 51.185 52.037 -0.018 0.000 0.760 144 A CB -0.598 18.402 19.000 0.000 0.000 0.995 144 A HN 0.427 nan 8.150 nan 0.000 0.501 145 P HA 0.136 nan 4.420 nan 0.000 0.267 145 P C -0.114 177.109 177.300 -0.128 0.000 1.200 145 P CA 0.064 63.047 63.100 -0.195 0.000 0.772 145 P CB 0.501 31.980 31.700 -0.369 0.000 0.855 146 S N 1.212 116.859 115.700 -0.089 0.000 2.572 146 S HA 0.101 4.279 4.470 -0.487 0.000 0.279 146 S C 0.394 174.955 174.600 -0.064 0.000 1.341 146 S CA 0.011 58.173 58.200 -0.064 0.000 1.043 146 S CB -0.317 62.852 63.200 -0.051 0.000 0.887 146 S HN 0.531 nan 8.310 nan 0.000 0.516 147 S N 0.419 116.091 115.700 -0.046 0.000 3.631 147 S HA -0.157 4.021 4.470 -0.487 0.000 0.366 147 S C 0.084 174.659 174.600 -0.042 0.000 0.993 147 S CA 0.022 58.200 58.200 -0.037 0.000 1.167 147 S CB -1.619 61.561 63.200 -0.033 0.000 0.909 147 S HN 0.605 nan 8.310 nan 0.000 0.478 148 L N 2.139 123.333 121.223 -0.047 0.000 2.513 148 L HA 0.185 4.233 4.340 -0.487 0.000 0.272 148 L C -0.593 176.268 176.870 -0.015 0.000 1.187 148 L CA -1.178 53.637 54.840 -0.042 0.000 0.895 148 L CB 0.080 42.120 42.059 -0.032 0.000 1.147 148 L HN 0.207 nan 8.230 nan 0.000 0.483 149 P HA 0.114 nan 4.420 nan 0.000 0.277 149 P C -0.465 176.839 177.300 0.007 0.000 1.276 149 P CA -0.578 62.521 63.100 -0.002 0.000 0.788 149 P CB 0.240 31.938 31.700 -0.004 0.000 1.114 150 T N 0.588 115.144 114.554 0.003 0.000 2.928 150 T HA 0.307 4.365 4.350 -0.487 0.000 0.305 150 T C 0.145 174.851 174.700 0.009 0.000 1.035 150 T CA 0.328 62.431 62.100 0.006 0.000 1.145 150 T CB -0.375 68.493 68.868 0.000 0.000 0.963 150 T HN 0.177 nan 8.240 nan 0.000 0.545 151 L N 2.872 124.107 121.223 0.019 0.000 2.464 151 L HA 0.420 4.467 4.340 -0.487 0.000 0.266 151 L C -0.142 176.741 176.870 0.022 0.000 0.965 151 L CA -0.784 54.069 54.840 0.023 0.000 0.833 151 L CB 2.405 44.497 42.059 0.055 0.000 1.296 151 L HN 0.554 nan 8.230 nan 0.000 0.405 152 Q N 2.311 122.119 119.800 0.013 0.000 2.257 152 Q HA 0.625 4.672 4.340 -0.487 0.000 0.255 152 Q C -0.221 175.798 176.000 0.031 0.000 0.920 152 Q CA -0.615 55.202 55.803 0.022 0.000 0.927 152 Q CB 1.895 30.645 28.738 0.020 0.000 1.229 152 Q HN 0.739 nan 8.270 nan 0.000 0.433 153 A N 3.222 126.066 122.820 0.039 0.000 2.540 153 A HA 0.372 4.400 4.320 -0.487 0.000 0.239 153 A C 0.589 178.214 177.584 0.069 0.000 1.061 153 A CA 0.496 52.559 52.037 0.043 0.000 0.758 153 A CB 0.025 19.050 19.000 0.040 0.000 0.991 153 A HN 0.883 nan 8.150 nan 0.000 0.502 154 G N 0.142 108.988 108.800 0.078 0.000 2.664 154 G HA2 0.505 4.173 3.960 -0.487 0.000 0.242 154 G HA3 0.505 4.173 3.960 -0.487 0.000 0.242 154 G C 0.107 175.107 174.900 0.166 0.000 1.225 154 G CA 0.417 45.602 45.100 0.141 0.000 0.849 154 G HN 1.977 nan 8.290 nan 0.000 0.581 155 V N -2.407 117.662 119.914 0.258 0.000 3.040 155 V HA 0.638 4.466 4.120 -0.487 0.000 0.312 155 V C -0.027 176.246 176.094 0.299 0.000 1.115 155 V CA -1.439 60.988 62.300 0.211 0.000 0.998 155 V CB 1.142 33.052 31.823 0.144 0.000 1.042 155 V HN 0.849 nan 8.190 nan 0.000 0.433 156 c N 2.477 121.135 118.600 0.097 0.000 2.536 156 c HA 0.484 4.762 4.570 -0.487 0.000 0.396 156 c C 1.873 175.698 174.090 -0.443 0.000 1.279 156 c CA -0.072 56.185 56.329 -0.120 0.000 2.148 156 c CB 0.626 43.061 42.510 -0.125 0.000 2.584 156 c HN 1.120 nan 8.230 nan 0.000 0.579 157 R N 1.843 121.671 120.500 -1.120 0.000 2.127 157 R HA -0.118 3.929 4.340 -0.487 0.000 0.238 157 R C 2.152 178.171 176.300 -0.468 0.000 1.134 157 R CA 2.466 57.996 56.100 -0.950 0.000 0.975 157 R CB -0.793 28.712 30.300 -1.326 0.000 0.865 157 R HN 0.911 nan 8.270 nan 0.000 0.447 158 T N -1.831 112.483 114.554 -0.400 0.000 3.113 158 T HA 0.003 4.060 4.350 -0.487 0.000 0.263 158 T C 0.579 175.157 174.700 -0.203 0.000 1.143 158 T CA 0.587 62.529 62.100 -0.264 0.000 1.090 158 T CB -0.362 68.340 68.868 -0.278 0.000 0.922 158 T HN 0.447 nan 8.240 nan 0.000 0.521 159 N N 0.539 119.124 118.700 -0.192 0.000 2.713 159 N HA -0.151 4.297 4.740 -0.487 0.000 0.251 159 N C -0.221 175.230 175.510 -0.099 0.000 1.117 159 N CA 1.054 54.032 53.050 -0.120 0.000 0.770 159 N CB -1.118 37.314 38.487 -0.091 0.000 1.137 159 N HN 0.629 nan 8.380 nan 0.000 0.566 160 K N 0.642 120.961 120.400 -0.135 0.000 2.118 160 K HA 0.152 4.180 4.320 -0.487 0.000 0.240 160 K C 0.774 177.375 176.600 0.000 0.000 1.035 160 K CA -0.350 55.892 56.287 -0.075 0.000 0.899 160 K CB 0.293 32.672 32.500 -0.201 0.000 1.085 160 K HN -0.034 nan 8.250 nan 0.000 0.498 161 Q N 1.844 121.683 119.800 0.065 0.000 2.271 161 Q HA 0.088 4.136 4.340 -0.487 0.000 0.273 161 Q C -1.116 174.935 176.000 0.085 0.000 1.051 161 Q CA 0.007 55.749 55.803 -0.102 0.000 0.901 161 Q CB 0.350 28.774 28.738 -0.523 0.000 1.174 161 Q HN 0.370 nan 8.270 nan 0.000 0.385 162 L N 7.380 128.614 121.223 0.019 0.000 2.453 162 L HA 0.343 4.391 4.340 -0.487 0.000 0.272 162 L C -2.187 174.638 176.870 -0.075 0.000 1.182 162 L CA -1.230 53.631 54.840 0.036 0.000 0.858 162 L CB 0.383 42.469 42.059 0.046 0.000 1.120 162 L HN 0.633 nan 8.230 nan 0.000 0.474 163 P HA 0.010 nan 4.420 nan 0.000 0.265 163 P C -0.488 176.565 177.300 -0.412 0.000 1.187 163 P CA 0.164 62.763 63.100 -0.834 0.000 0.766 163 P CB 0.455 31.672 31.700 -0.805 0.000 0.820 164 D N 0.654 120.813 120.400 -0.402 0.000 2.289 164 D HA -0.037 4.310 4.640 -0.487 0.000 0.207 164 D C 0.355 176.534 176.300 -0.203 0.000 0.966 164 D CA 1.459 55.352 54.000 -0.178 0.000 0.868 164 D CB 0.040 40.808 40.800 -0.054 0.000 0.943 164 D HN 0.338 nan 8.370 nan 0.000 0.514 165 N N 0.419 118.969 118.700 -0.251 0.000 2.454 165 N HA 0.184 4.632 4.740 -0.487 0.000 0.291 165 N C -2.864 172.593 175.510 -0.088 0.000 1.079 165 N CA -1.696 51.233 53.050 -0.202 0.000 0.893 165 N CB 2.598 40.947 38.487 -0.230 0.000 1.512 165 N HN -0.276 nan 8.380 nan 0.000 0.497 166 P HA 0.156 nan 4.420 nan 0.000 0.274 166 P C -0.635 176.537 177.300 -0.214 0.000 1.237 166 P CA -0.350 62.655 63.100 -0.158 0.000 0.793 166 P CB 0.982 32.623 31.700 -0.098 0.000 0.977 167 R N 1.272 121.530 120.500 -0.402 0.000 2.442 167 R HA 0.274 4.322 4.340 -0.487 0.000 0.291 167 R C -0.594 175.506 176.300 -0.333 0.000 1.069 167 R CA -0.479 55.351 56.100 -0.450 0.000 1.022 167 R CB -0.160 29.628 30.300 -0.854 0.000 0.976 167 R HN 0.380 nan 8.270 nan 0.000 0.443 168 L N 4.278 125.407 121.223 -0.158 0.000 2.305 168 L HA 0.666 4.713 4.340 -0.487 0.000 0.284 168 L C -1.331 175.519 176.870 -0.034 0.000 1.013 168 L CA 0.010 54.811 54.840 -0.065 0.000 0.819 168 L CB 1.512 43.590 42.059 0.032 0.000 1.227 168 L HN 0.801 nan 8.230 nan 0.000 0.417 169 A N 5.160 127.964 122.820 -0.027 0.000 2.594 169 A HA 0.808 4.836 4.320 -0.487 0.000 0.291 169 A C -1.857 175.718 177.584 -0.015 0.000 1.105 169 A CA -0.672 51.363 52.037 -0.002 0.000 0.694 169 A CB 1.466 20.468 19.000 0.004 0.000 1.291 169 A HN 0.611 nan 8.150 nan 0.000 0.410 170 L N 1.554 122.757 121.223 -0.032 0.000 2.333 170 L HA 0.447 4.495 4.340 -0.487 0.000 0.280 170 L C -0.656 176.153 176.870 -0.100 0.000 1.004 170 L CA -0.471 54.298 54.840 -0.118 0.000 0.820 170 L CB 1.375 43.359 42.059 -0.124 0.000 1.247 170 L HN 0.662 nan 8.230 nan 0.000 0.416 171 L N 1.445 122.582 121.223 -0.144 0.000 2.466 171 L HA 0.203 4.251 4.340 -0.487 0.000 0.257 171 L C 1.482 178.287 176.870 -0.107 0.000 1.189 171 L CA -0.009 54.771 54.840 -0.101 0.000 0.813 171 L CB 0.994 42.992 42.059 -0.102 0.000 1.118 171 L HN 0.640 nan 8.230 nan 0.000 0.471 172 S N -0.862 114.798 115.700 -0.067 0.000 2.489 172 S HA -0.046 4.132 4.470 -0.487 0.000 0.228 172 S C 0.073 174.636 174.600 -0.061 0.000 0.995 172 S CA 0.416 58.584 58.200 -0.054 0.000 0.934 172 S CB -0.461 62.721 63.200 -0.030 0.000 0.771 172 S HN 0.821 nan 8.310 nan 0.000 0.522 173 D N -0.041 120.315 120.400 -0.073 0.000 2.689 173 D HA 0.342 4.690 4.640 -0.487 0.000 0.255 173 D C 0.335 176.578 176.300 -0.096 0.000 1.113 173 D CA -0.423 53.538 54.000 -0.065 0.000 1.115 173 D CB 0.401 41.175 40.800 -0.042 0.000 1.334 173 D HN 0.047 nan 8.370 nan 0.000 0.621 174 T N -3.258 111.253 114.554 -0.071 0.000 3.170 174 T HA 0.353 4.411 4.350 -0.487 0.000 0.288 174 T C 0.535 175.211 174.700 -0.041 0.000 0.992 174 T CA -0.096 61.957 62.100 -0.078 0.000 0.909 174 T CB -0.932 67.905 68.868 -0.052 0.000 1.133 174 T HN 0.523 nan 8.240 nan 0.000 0.530 175 V N -0.957 118.938 119.914 -0.030 0.000 2.743 175 V HA 0.694 4.522 4.120 -0.487 0.000 0.301 175 V C -2.866 173.227 176.094 -0.002 0.000 1.057 175 V CA -2.864 59.431 62.300 -0.009 0.000 1.006 175 V CB 0.534 32.353 31.823 -0.006 0.000 1.024 175 V HN -0.053 nan 8.190 nan 0.000 0.473 176 P HA 0.299 nan 4.420 nan 0.000 0.265 176 P C -0.270 177.044 177.300 0.023 0.000 1.193 176 P CA 0.688 63.804 63.100 0.028 0.000 0.765 176 P CB 0.492 32.213 31.700 0.035 0.000 0.823 177 T N 1.179 115.751 114.554 0.031 0.000 2.792 177 T HA 0.618 4.675 4.350 -0.487 0.000 0.303 177 T C -1.523 173.210 174.700 0.055 0.000 1.310 177 T CA -0.440 61.679 62.100 0.031 0.000 1.007 177 T CB 1.002 69.879 68.868 0.015 0.000 1.335 177 T HN 0.143 nan 8.240 nan 0.000 0.504 178 S N 0.716 116.446 115.700 0.050 0.000 2.546 178 S HA 0.723 4.900 4.470 -0.487 0.000 0.272 178 S C -1.007 173.618 174.600 0.043 0.000 1.140 178 S CA -0.423 57.819 58.200 0.069 0.000 0.920 178 S CB 1.046 64.286 63.200 0.066 0.000 1.083 178 S HN 1.020 nan 8.310 nan 0.000 0.476 179 V N 2.200 122.146 119.914 0.053 0.000 2.960 179 V HA 0.710 4.538 4.120 -0.487 0.000 0.315 179 V C -0.874 175.230 176.094 0.016 0.000 1.087 179 V CA -0.796 61.499 62.300 -0.008 0.000 0.982 179 V CB 1.798 33.562 31.823 -0.097 0.000 1.039 179 V HN 0.825 nan 8.190 nan 0.000 0.437 180 Q N 2.047 121.826 119.800 -0.036 0.000 2.293 180 Q HA 0.638 4.686 4.340 -0.487 0.000 0.261 180 Q C -1.336 174.652 176.000 -0.019 0.000 0.960 180 Q CA -0.445 55.324 55.803 -0.056 0.000 0.882 180 Q CB 2.162 30.848 28.738 -0.087 0.000 1.275 180 Q HN 0.834 nan 8.270 nan 0.000 0.445 181 F N -0.465 119.424 119.950 -0.102 0.000 2.546 181 F HA 0.789 4.898 4.527 -0.698 0.000 0.320 181 F C -1.050 174.709 175.800 -0.068 0.000 1.076 181 F CA -1.258 56.668 58.000 -0.122 0.000 0.928 181 F CB 0.910 39.813 39.000 -0.161 0.000 1.189 181 F HN 0.100 nan 8.300 nan 0.000 0.465 182 V N 4.254 124.205 119.914 0.061 0.000 2.409 182 V HA 0.352 4.180 4.120 -0.487 0.000 0.291 182 V C -0.208 175.877 176.094 -0.016 0.000 1.020 182 V CA -0.779 61.509 62.300 -0.020 0.000 0.848 182 V CB 1.502 33.301 31.823 -0.039 0.000 0.990 182 V HN 0.738 nan 8.190 nan 0.000 0.430 183 L N 8.199 129.375 121.223 -0.078 0.000 2.268 183 L HA 0.408 4.455 4.340 -0.487 0.000 0.289 183 L C -2.044 174.716 176.870 -0.184 0.000 1.064 183 L CA -1.562 53.070 54.840 -0.347 0.000 0.824 183 L CB 1.490 43.184 42.059 -0.607 0.000 1.202 183 L HN 0.408 nan 8.230 nan 0.000 0.433 184 P HA 0.054 nan 4.420 nan 0.000 0.272 184 P C 0.623 178.023 177.300 0.166 0.000 1.230 184 P CA -0.256 62.875 63.100 0.052 0.000 0.788 184 P CB 1.174 32.902 31.700 0.046 0.000 0.949 185 G N 0.126 108.982 108.800 0.093 0.000 2.813 185 G HA2 0.122 3.789 3.960 -0.487 0.000 0.209 185 G HA3 0.122 3.789 3.960 -0.487 0.000 0.209 185 G C 0.267 175.198 174.900 0.051 0.000 1.150 185 G CA 0.343 45.493 45.100 0.084 0.000 0.785 185 G HN 0.777 nan 8.290 nan 0.000 0.535 186 S N -1.998 113.728 115.700 0.043 0.000 2.587 186 S HA 0.641 4.819 4.470 -0.487 0.000 0.269 186 S C -1.214 173.387 174.600 0.001 0.000 1.154 186 S CA -0.437 57.772 58.200 0.014 0.000 0.824 186 S CB 1.889 65.093 63.200 0.007 0.000 1.118 186 S HN 0.370 nan 8.310 nan 0.000 0.462 187 S N 0.723 116.404 115.700 -0.032 0.000 2.776 187 S HA 0.655 4.833 4.470 -0.487 0.000 0.284 187 S C 0.796 175.338 174.600 -0.098 0.000 1.160 187 S CA 0.591 58.751 58.200 -0.068 0.000 1.051 187 S CB 0.158 63.299 63.200 -0.098 0.000 1.037 187 S HN 2.551 nan 8.310 nan 0.000 0.485 188 G N 4.105 112.861 108.800 -0.073 0.000 2.651 188 G HA2 -0.375 3.293 3.960 -0.487 0.000 0.315 188 G HA3 -0.375 3.293 3.960 -0.487 0.000 0.315 188 G C 0.977 175.861 174.900 -0.026 0.000 1.258 188 G CA 1.243 46.309 45.100 -0.057 0.000 1.002 188 G HN 1.782 nan 8.290 nan 0.000 0.551 189 T N -1.860 112.691 114.554 -0.005 0.000 3.129 189 T HA 0.407 4.464 4.350 -0.487 0.000 0.251 189 T C 0.935 175.662 174.700 0.045 0.000 1.117 189 T CA 1.423 63.541 62.100 0.029 0.000 1.034 189 T CB -0.092 68.809 68.868 0.055 0.000 0.968 189 T HN 0.735 nan 8.240 nan 0.000 0.526 190 T N 4.351 118.918 114.554 0.021 0.000 2.749 190 T HA 0.448 4.505 4.350 -0.487 0.000 0.295 190 T C 0.114 174.822 174.700 0.013 0.000 0.936 190 T CA -0.683 61.443 62.100 0.042 0.000 1.060 190 T CB 0.464 69.336 68.868 0.007 0.000 0.904 190 T HN 0.149 nan 8.240 nan 0.000 0.500 191 I N 2.567 123.153 120.570 0.025 0.000 2.474 191 I HA 0.158 4.036 4.170 -0.487 0.000 0.287 191 I C 0.398 176.503 176.117 -0.020 0.000 1.048 191 I CA -0.949 60.357 61.300 0.009 0.000 1.383 191 I CB 0.407 38.418 38.000 0.019 0.000 1.412 191 I HN 0.703 nan 8.210 nan 0.000 0.531 192 c N 4.860 123.434 118.600 -0.043 0.000 2.184 192 c HA 0.248 4.526 4.570 -0.487 0.000 0.328 192 c C 1.736 175.765 174.090 -0.102 0.000 1.081 192 c CA -0.561 55.681 56.329 -0.146 0.000 1.533 192 c CB -0.629 41.748 42.510 -0.221 0.000 1.905 192 c HN 0.905 nan 8.230 nan 0.000 0.439 193 T N -1.344 113.157 114.554 -0.089 0.000 3.067 193 T HA 0.049 4.107 4.350 -0.487 0.000 0.261 193 T C 0.487 175.135 174.700 -0.087 0.000 1.110 193 T CA 0.539 62.618 62.100 -0.035 0.000 1.113 193 T CB 0.142 69.016 68.868 0.010 0.000 0.917 193 T HN 0.815 nan 8.240 nan 0.000 0.499 194 K N -0.407 119.844 120.400 -0.249 0.000 2.578 194 K HA 0.383 4.410 4.320 -0.487 0.000 0.287 194 K C -1.923 174.350 176.600 -0.546 0.000 1.010 194 K CA -0.996 55.042 56.287 -0.415 0.000 0.889 194 K CB 1.231 33.290 32.500 -0.736 0.000 1.514 194 K HN 0.184 nan 8.250 nan 0.000 0.424 195 H N 0.550 119.400 119.070 -0.366 0.000 2.679 195 H HA 0.327 4.820 4.556 -0.105 0.000 0.360 195 H C -1.176 174.032 175.328 -0.199 0.000 1.105 195 H CA -0.861 55.063 56.048 -0.207 0.000 1.196 195 H CB 2.567 32.234 29.762 -0.159 0.000 1.636 195 H HN 0.476 nan 8.280 nan 0.000 0.531 196 L N 3.915 125.165 121.223 0.046 0.000 2.265 196 L HA 0.403 4.451 4.340 -0.487 0.000 0.288 196 L C -1.096 175.864 176.870 0.150 0.000 1.058 196 L CA -0.594 54.308 54.840 0.103 0.000 0.809 196 L CB 0.257 42.401 42.059 0.142 0.000 1.179 196 L HN 0.276 nan 8.230 nan 0.000 0.429 197 V N 6.321 126.305 119.914 0.117 0.000 2.577 197 V HA 0.485 4.312 4.120 -0.487 0.000 0.303 197 V C -2.301 173.853 176.094 0.102 0.000 1.042 197 V CA -1.383 60.957 62.300 0.067 0.000 0.872 197 V CB 1.895 33.705 31.823 -0.022 0.000 0.998 197 V HN 0.680 nan 8.190 nan 0.000 0.423 198 P HA 0.370 nan 4.420 nan 0.000 0.284 198 P C -1.228 176.093 177.300 0.035 0.000 1.253 198 P CA -0.300 62.754 63.100 -0.078 0.000 0.800 198 P CB 1.056 32.692 31.700 -0.107 0.000 0.961 199 F N 4.229 124.017 119.950 -0.270 0.000 2.460 199 F HA 0.511 4.736 4.527 -0.504 0.000 0.341 199 F C -1.154 174.479 175.800 -0.278 0.000 1.130 199 F CA -0.313 57.493 58.000 -0.323 0.000 0.962 199 F CB 0.732 39.437 39.000 -0.491 0.000 1.171 199 F HN 0.347 nan 8.300 nan 0.000 0.436 200 c N 4.746 122.860 118.600 -0.810 0.000 2.971 200 c HA 0.888 5.166 4.570 -0.487 0.000 0.310 200 c C -1.123 172.441 174.090 -0.877 0.000 1.285 200 c CA -0.970 54.856 56.329 -0.840 0.000 1.593 200 c CB 1.342 43.455 42.510 -0.661 0.000 2.076 200 c HN 0.866 nan 8.230 nan 0.000 0.472 201 Y N -1.758 117.927 120.300 -1.024 0.000 2.702 201 Y HA 0.713 4.967 4.550 -0.493 0.000 0.336 201 Y C -1.820 173.327 175.900 -1.254 0.000 1.203 201 Y CA -1.525 55.955 58.100 -1.034 0.000 1.072 201 Y CB 0.418 38.289 38.460 -0.981 0.000 1.327 201 Y HN 0.483 nan 8.280 nan 0.000 0.456 202 L N 4.114 124.425 121.223 -1.520 0.000 2.262 202 L HA 0.398 4.446 4.340 -0.487 0.000 0.288 202 L C -0.329 175.913 176.870 -1.048 0.000 1.035 202 L CA -0.708 53.345 54.840 -1.311 0.000 0.820 202 L CB 0.777 41.974 42.059 -1.436 0.000 1.204 202 L HN 0.822 nan 8.230 nan 0.000 0.424 203 N N 2.236 120.565 118.700 -0.619 0.000 2.495 203 N HA 0.150 4.598 4.740 -0.487 0.000 0.294 203 N C -0.157 175.330 175.510 -0.038 0.000 1.276 203 N CA -0.434 52.405 53.050 -0.352 0.000 0.973 203 N CB 0.167 38.417 38.487 -0.394 0.000 1.143 203 N HN 0.630 nan 8.380 nan 0.000 0.589 204 H N -1.721 117.438 119.070 0.148 0.000 2.904 204 H HA 0.020 4.285 4.556 -0.485 0.000 0.333 204 H C 0.837 176.248 175.328 0.138 0.000 1.271 204 H CA 0.608 56.721 56.048 0.108 0.000 1.183 204 H CB -1.660 28.106 29.762 0.007 0.000 1.519 204 H HN 1.163 nan 8.280 nan 0.000 0.441 205 G N -1.236 107.718 108.800 0.256 0.000 2.725 205 G HA2 -0.245 3.422 3.960 -0.487 0.000 0.220 205 G HA3 -0.245 3.422 3.960 -0.487 0.000 0.220 205 G C 0.584 175.611 174.900 0.212 0.000 1.357 205 G CA -0.341 44.865 45.100 0.177 0.000 0.866 205 G HN 1.262 nan 8.290 nan 0.000 0.548 206 c N -1.434 117.265 118.600 0.165 0.000 2.703 206 c HA 0.664 4.941 4.570 -0.487 0.000 0.411 206 c C 0.564 174.841 174.090 0.311 0.000 1.290 206 c CA -0.353 56.089 56.329 0.188 0.000 2.054 206 c CB -0.186 42.408 42.510 0.141 0.000 2.732 206 c HN 1.300 nan 8.230 nan 0.000 0.650 207 F N 1.387 121.410 119.950 0.121 0.000 2.449 207 F HA 0.433 4.670 4.527 -0.484 0.000 0.342 207 F C 0.371 176.310 175.800 0.231 0.000 1.127 207 F CA -0.247 57.804 58.000 0.086 0.000 0.975 207 F CB 1.395 40.223 39.000 -0.287 0.000 1.146 207 F HN 0.785 nan 8.300 nan 0.000 0.444 208 T N 4.607 119.236 114.554 0.125 0.000 2.727 208 T HA 0.354 4.412 4.350 -0.487 0.000 0.295 208 T C -0.263 174.607 174.700 0.282 0.000 0.915 208 T CA 0.142 62.347 62.100 0.176 0.000 1.066 208 T CB 0.600 69.506 68.868 0.064 0.000 0.891 208 T HN 0.687 nan 8.240 nan 0.000 0.516 209 T N 1.453 116.212 114.554 0.342 0.000 2.886 209 T HA 0.516 4.574 4.350 -0.487 0.000 0.330 209 T C 0.777 175.568 174.700 0.152 0.000 1.488 209 T CA 0.451 62.728 62.100 0.295 0.000 1.054 209 T CB 0.958 70.084 68.868 0.430 0.000 1.348 209 T HN 0.897 nan 8.240 nan 0.000 0.489 210 G N 1.226 110.086 108.800 0.100 0.000 2.168 210 G HA2 0.076 3.744 3.960 -0.487 0.000 0.257 210 G HA3 0.076 3.744 3.960 -0.487 0.000 0.257 210 G C 1.315 176.249 174.900 0.057 0.000 0.997 210 G CA 1.162 46.294 45.100 0.053 0.000 0.708 210 G HN 2.255 nan 8.290 nan 0.000 0.520 211 G N -2.105 106.740 108.800 0.075 0.000 2.141 211 G HA2 0.236 3.904 3.960 -0.487 0.000 0.242 211 G HA3 0.236 3.904 3.960 -0.487 0.000 0.242 211 G C 0.523 175.462 174.900 0.066 0.000 0.982 211 G CA 1.375 46.513 45.100 0.064 0.000 0.662 211 G HN 2.670 nan 8.290 nan 0.000 0.527 212 S N -2.139 113.611 115.700 0.084 0.000 2.607 212 S HA 0.590 4.768 4.470 -0.487 0.000 0.273 212 S C -0.342 174.333 174.600 0.125 0.000 1.148 212 S CA -0.219 58.033 58.200 0.087 0.000 0.833 212 S CB 1.830 65.073 63.200 0.071 0.000 1.130 212 S HN 1.298 nan 8.310 nan 0.000 0.470 213 c N 2.880 121.552 118.600 0.120 0.000 2.322 213 c HA 0.586 4.864 4.570 -0.487 0.000 0.343 213 c C -0.114 174.079 174.090 0.172 0.000 1.190 213 c CA -0.488 55.934 56.329 0.155 0.000 1.704 213 c CB -2.257 40.325 42.510 0.119 0.000 2.293 213 c HN 0.683 nan 8.230 nan 0.000 0.523 214 L N 7.855 129.229 121.223 0.252 0.000 2.343 214 L HA 0.445 4.493 4.340 -0.487 0.000 0.275 214 L C -1.990 175.018 176.870 0.230 0.000 1.056 214 L CA -1.846 53.136 54.840 0.236 0.000 0.804 214 L CB 1.279 43.502 42.059 0.274 0.000 1.203 214 L HN 0.366 nan 8.230 nan 0.000 0.440 215 P HA -0.042 nan 4.420 nan 0.000 0.265 215 P C -1.096 176.200 177.300 -0.007 0.000 1.193 215 P CA 0.267 63.334 63.100 -0.055 0.000 0.765 215 P CB 0.212 31.852 31.700 -0.099 0.000 0.823 216 F N 3.459 123.239 119.950 -0.284 0.000 2.334 216 F HA 0.584 4.816 4.527 -0.492 0.000 0.367 216 F C 0.320 175.965 175.800 -0.259 0.000 1.115 216 F CA 0.087 57.913 58.000 -0.291 0.000 1.116 216 F CB 0.612 39.358 39.000 -0.424 0.000 1.230 216 F HN 0.303 nan 8.300 nan 0.000 0.484 217 G N 5.815 114.569 108.800 -0.077 0.000 2.753 217 G HA2 0.541 4.209 3.960 -0.487 0.000 0.282 217 G HA3 0.541 4.209 3.960 -0.487 0.000 0.282 217 G C -1.877 173.113 174.900 0.150 0.000 1.512 217 G CA -0.633 44.536 45.100 0.115 0.000 1.076 217 G HN 0.753 nan 8.290 nan 0.000 0.545 218 V N -0.153 119.912 119.914 0.251 0.000 3.007 218 V HA 0.992 4.819 4.120 -0.487 0.000 0.311 218 V C -0.236 176.086 176.094 0.380 0.000 1.120 218 V CA -0.772 61.682 62.300 0.257 0.000 0.980 218 V CB 1.602 33.535 31.823 0.185 0.000 1.033 218 V HN 1.473 nan 8.190 nan 0.000 0.429 219 S N 1.617 117.544 115.700 0.379 0.000 2.547 219 S HA 0.768 4.945 4.470 -0.487 0.000 0.270 219 S C -1.907 172.968 174.600 0.458 0.000 1.150 219 S CA -0.710 57.645 58.200 0.259 0.000 0.850 219 S CB 1.757 65.010 63.200 0.089 0.000 1.118 219 S HN 0.910 nan 8.310 nan 0.000 0.461 220 Y N 1.288 121.702 120.300 0.190 0.000 2.331 220 Y HA 0.701 4.990 4.550 -0.434 0.000 0.338 220 Y C 0.354 176.458 175.900 0.340 0.000 0.992 220 Y CA -1.492 56.817 58.100 0.348 0.000 1.121 220 Y CB 1.420 40.123 38.460 0.405 0.000 1.184 220 Y HN 0.891 nan 8.280 nan 0.000 0.469 221 V N 0.252 120.478 119.914 0.522 0.000 2.925 221 V HA 1.009 4.836 4.120 -0.487 0.000 0.311 221 V C -0.507 175.802 176.094 0.358 0.000 1.104 221 V CA -0.784 61.787 62.300 0.452 0.000 0.954 221 V CB 1.733 33.753 31.823 0.328 0.000 1.022 221 V HN 0.766 nan 8.190 nan 0.000 0.427 222 S N 0.440 116.323 115.700 0.306 0.000 2.776 222 S HA 0.504 4.682 4.470 -0.487 0.000 0.292 222 S C 0.148 174.795 174.600 0.078 0.000 1.187 222 S CA -0.124 58.105 58.200 0.048 0.000 0.834 222 S CB 1.685 64.735 63.200 -0.250 0.000 1.199 222 S HN 0.687 nan 8.310 nan 0.000 0.514 223 D N 1.575 121.973 120.400 -0.003 0.000 2.228 223 D HA -0.027 4.321 4.640 -0.487 0.000 0.203 223 D C 1.287 177.619 176.300 0.053 0.000 0.988 223 D CA 2.018 56.027 54.000 0.016 0.000 0.864 223 D CB -0.222 40.566 40.800 -0.019 0.000 0.928 223 D HN 0.656 nan 8.370 nan 0.000 0.469 224 S N -1.520 114.234 115.700 0.090 0.000 2.941 224 S HA 0.306 4.483 4.470 -0.487 0.000 0.251 224 S C -0.305 174.467 174.600 0.287 0.000 1.029 224 S CA -0.893 57.391 58.200 0.139 0.000 1.062 224 S CB -0.137 63.129 63.200 0.111 0.000 0.977 224 S HN 0.064 nan 8.310 nan 0.000 0.552 225 F N 1.322 121.366 119.950 0.157 0.000 2.596 225 F HA 0.690 4.988 4.527 -0.382 0.000 0.311 225 F C -1.843 174.128 175.800 0.285 0.000 1.116 225 F CA -1.008 57.143 58.000 0.253 0.000 0.957 225 F CB 1.612 40.860 39.000 0.413 0.000 1.250 225 F HN 0.249 nan 8.300 nan 0.000 0.444 226 Y N 6.176 126.155 120.300 -0.535 0.000 2.441 226 Y HA 0.576 4.840 4.550 -0.477 0.000 0.334 226 Y C -2.319 173.292 175.900 -0.480 0.000 1.061 226 Y CA -1.019 56.904 58.100 -0.295 0.000 1.032 226 Y CB 1.361 39.720 38.460 -0.169 0.000 1.266 226 Y HN 0.634 nan 8.280 nan 0.000 0.441 227 Y N 4.238 123.864 120.300 -1.123 0.000 2.441 227 Y HA 0.724 4.988 4.550 -0.477 0.000 0.334 227 Y C -0.525 174.538 175.900 -1.395 0.000 1.061 227 Y CA -0.439 57.017 58.100 -1.073 0.000 1.032 227 Y CB 2.234 40.263 38.460 -0.718 0.000 1.266 227 Y HN 0.863 nan 8.280 nan 0.000 0.441 228 G N 2.607 110.673 108.800 -1.223 0.000 2.682 228 G HA2 0.465 4.132 3.960 -0.487 0.000 0.290 228 G HA3 0.465 4.132 3.960 -0.487 0.000 0.290 228 G C -2.780 172.078 174.900 -0.070 0.000 1.425 228 G CA -0.769 44.019 45.100 -0.521 0.000 0.807 228 G HN 0.530 nan 8.290 nan 0.000 0.482 229 Y N -0.150 120.193 120.300 0.072 0.000 2.504 229 Y HA 0.728 4.984 4.550 -0.490 0.000 0.344 229 Y C -2.087 173.853 175.900 0.067 0.000 1.023 229 Y CA -1.463 56.576 58.100 -0.102 0.000 1.020 229 Y CB 2.360 40.468 38.460 -0.586 0.000 1.282 229 Y HN 0.733 nan 8.280 nan 0.000 0.454 230 Y N 5.116 124.871 120.300 -0.908 0.000 2.401 230 Y HA 0.526 4.782 4.550 -0.490 0.000 0.330 230 Y C -2.000 173.447 175.900 -0.755 0.000 1.071 230 Y CA -0.676 57.055 58.100 -0.616 0.000 1.049 230 Y CB 1.431 39.744 38.460 -0.245 0.000 1.239 230 Y HN 0.732 nan 8.280 nan 0.000 0.437 231 D N 4.089 123.927 120.400 -0.937 0.000 2.891 231 D HA 0.562 4.910 4.640 -0.487 0.000 0.224 231 D C -1.099 174.946 176.300 -0.425 0.000 1.321 231 D CA 0.011 53.724 54.000 -0.478 0.000 0.929 231 D CB 1.984 42.646 40.800 -0.230 0.000 1.551 231 D HN 0.649 nan 8.370 nan 0.000 0.574 232 A N 2.588 125.276 122.820 -0.219 0.000 2.606 232 A HA 0.286 4.313 4.320 -0.487 0.000 0.290 232 A C 0.447 178.052 177.584 0.035 0.000 1.174 232 A CA -0.240 51.758 52.037 -0.066 0.000 0.958 232 A CB 0.069 19.092 19.000 0.037 0.000 1.194 232 A HN 0.382 nan 8.150 nan 0.000 0.526 233 T N 3.942 118.519 114.554 0.039 0.000 2.867 233 T HA 0.299 4.356 4.350 -0.487 0.000 0.297 233 T C -2.469 172.267 174.700 0.059 0.000 0.989 233 T CA -0.142 61.990 62.100 0.054 0.000 1.159 233 T CB 0.447 69.349 68.868 0.056 0.000 0.928 233 T HN 0.217 nan 8.240 nan 0.000 0.538 234 P HA 0.112 nan 4.420 nan 0.000 0.269 234 P C -0.160 177.162 177.300 0.036 0.000 1.215 234 P CA -0.448 62.681 63.100 0.048 0.000 0.780 234 P CB 0.474 32.198 31.700 0.040 0.000 0.898 235 Q N 1.388 121.207 119.800 0.032 0.000 2.299 235 Q HA 0.371 4.418 4.340 -0.487 0.000 0.246 235 Q C 0.096 176.099 176.000 0.004 0.000 0.935 235 Q CA -0.209 55.600 55.803 0.009 0.000 0.887 235 Q CB 0.801 29.541 28.738 0.004 0.000 1.223 235 Q HN 0.443 nan 8.270 nan 0.000 0.439 236 I N 1.358 121.922 120.570 -0.009 0.000 2.336 236 I HA 0.289 4.167 4.170 -0.487 0.000 0.292 236 I C 1.246 177.357 176.117 -0.010 0.000 0.991 236 I CA -0.050 61.245 61.300 -0.008 0.000 1.227 236 I CB 0.836 38.828 38.000 -0.013 0.000 1.366 236 I HN 0.823 nan 8.210 nan 0.000 0.466 237 G N 5.159 113.957 108.800 -0.004 0.000 2.652 237 G HA2 -0.316 3.351 3.960 -0.487 0.000 0.318 237 G HA3 -0.316 3.351 3.960 -0.487 0.000 0.318 237 G C 0.501 175.397 174.900 -0.005 0.000 1.295 237 G CA 0.460 45.558 45.100 -0.004 0.000 0.999 237 G HN 0.587 nan 8.290 nan 0.000 0.548 238 S N 0.936 116.632 115.700 -0.008 0.000 2.622 238 S HA 0.303 4.480 4.470 -0.487 0.000 0.236 238 S C 1.790 176.379 174.600 -0.019 0.000 0.956 238 S CA 1.111 59.305 58.200 -0.009 0.000 0.971 238 S CB 0.190 63.387 63.200 -0.005 0.000 0.782 238 S HN 1.325 nan 8.310 nan 0.000 0.468 239 T N -0.834 113.704 114.554 -0.027 0.000 3.169 239 T HA 0.137 4.194 4.350 -0.487 0.000 0.250 239 T C 0.346 175.006 174.700 -0.066 0.000 1.111 239 T CA -0.288 61.788 62.100 -0.040 0.000 1.010 239 T CB -0.358 68.485 68.868 -0.042 0.000 0.984 239 T HN 0.423 nan 8.240 nan 0.000 0.537 240 E N 1.646 121.801 120.200 -0.074 0.000 2.694 240 E HA 0.120 4.178 4.350 -0.487 0.000 0.250 240 E C -0.647 175.837 176.600 -0.194 0.000 0.963 240 E CA 0.044 56.355 56.400 -0.149 0.000 0.949 240 E CB 0.026 29.658 29.700 -0.114 0.000 0.911 240 E HN 0.395 nan 8.360 nan 0.000 0.500 241 S N 4.279 119.781 115.700 -0.330 0.000 2.536 241 S HA 0.391 4.568 4.470 -0.487 0.000 0.271 241 S C -1.629 172.753 174.600 -0.363 0.000 1.134 241 S CA -0.821 57.267 58.200 -0.186 0.000 0.897 241 S CB 0.864 64.050 63.200 -0.024 0.000 1.094 241 S HN 0.553 nan 8.310 nan 0.000 0.473 242 H N 2.038 121.238 119.070 0.217 0.000 2.851 242 H HA 0.468 4.732 4.556 -0.486 0.000 0.372 242 H C -1.486 173.911 175.328 0.116 0.000 1.158 242 H CA -0.699 55.378 56.048 0.049 0.000 1.159 242 H CB 1.777 31.389 29.762 -0.251 0.000 1.757 242 H HN 0.545 nan 8.280 nan 0.000 0.546 243 D N 0.829 121.237 120.400 0.014 0.000 2.248 243 D HA 0.121 4.469 4.640 -0.487 0.000 0.246 243 D C -0.545 175.680 176.300 -0.126 0.000 1.027 243 D CA -0.457 53.557 54.000 0.023 0.000 0.853 243 D CB 1.699 42.432 40.800 -0.113 0.000 1.243 243 D HN 0.400 nan 8.370 nan 0.000 0.462 244 Y N 1.696 121.954 120.300 -0.071 0.000 2.436 244 Y HA 0.363 4.618 4.550 -0.492 0.000 0.343 244 Y C -0.700 174.924 175.900 -0.459 0.000 1.008 244 Y CA 0.005 57.978 58.100 -0.212 0.000 1.241 244 Y CB 0.381 38.944 38.460 0.172 0.000 1.153 244 Y HN 0.033 nan 8.280 nan 0.000 0.521 245 V N 5.431 124.879 119.914 -0.777 0.000 2.735 245 V HA 0.472 4.300 4.120 -0.487 0.000 0.310 245 V C -0.716 174.811 176.094 -0.944 0.000 1.061 245 V CA -0.973 60.825 62.300 -0.836 0.000 0.913 245 V CB 1.666 32.850 31.823 -1.065 0.000 1.005 245 V HN 0.844 nan 8.190 nan 0.000 0.428 246 c N 2.002 120.250 118.600 -0.587 0.000 2.712 246 c HA 0.639 4.917 4.570 -0.487 0.000 0.308 246 c C -0.878 172.979 174.090 -0.387 0.000 1.201 246 c CA -0.874 55.145 56.329 -0.516 0.000 1.554 246 c CB 1.731 43.949 42.510 -0.487 0.000 2.117 246 c HN 0.866 nan 8.230 nan 0.000 0.480 247 D N 0.492 120.695 120.400 -0.328 0.000 2.350 247 D HA 0.356 4.703 4.640 -0.487 0.000 0.245 247 D C -1.406 174.599 176.300 -0.492 0.000 1.036 247 D CA -0.168 53.692 54.000 -0.233 0.000 0.848 247 D CB 1.666 42.448 40.800 -0.031 0.000 1.307 247 D HN 0.503 nan 8.370 nan 0.000 0.469 248 Y N 1.151 121.459 120.300 0.012 0.000 2.385 248 Y HA 0.338 4.590 4.550 -0.497 0.000 0.341 248 Y C 0.304 176.198 175.900 -0.011 0.000 0.965 248 Y CA -0.576 57.544 58.100 0.032 0.000 1.180 248 Y CB 0.868 39.378 38.460 0.083 0.000 1.139 248 Y HN 0.035 nan 8.280 nan 0.000 0.502 249 L N 3.843 125.106 121.223 0.067 0.000 2.334 249 L HA 0.430 4.478 4.340 -0.487 0.000 0.275 249 L C -0.519 176.447 176.870 0.161 0.000 1.036 249 L CA -0.940 53.937 54.840 0.062 0.000 0.807 249 L CB 1.529 43.590 42.059 0.004 0.000 1.231 249 L HN 0.528 nan 8.230 nan 0.000 0.438 250 F N 3.691 123.682 119.950 0.069 0.000 2.421 250 F HA 0.497 4.757 4.527 -0.445 0.000 0.358 250 F C -0.301 175.560 175.800 0.103 0.000 1.115 250 F CA -0.252 57.797 58.000 0.082 0.000 1.160 250 F CB 0.528 39.577 39.000 0.082 0.000 1.123 250 F HN 0.361 nan 8.300 nan 0.000 0.508 251 M N 5.591 125.120 119.600 -0.118 0.000 2.327 251 M HA 0.279 4.466 4.480 -0.487 0.000 0.298 251 M C -0.631 175.591 176.300 -0.130 0.000 1.065 251 M CA -0.640 54.565 55.300 -0.158 0.000 0.916 251 M CB 2.411 34.720 32.600 -0.484 0.000 1.630 251 M HN 0.558 nan 8.290 nan 0.000 0.442 252 E N 3.904 124.168 120.200 0.107 0.000 2.392 252 E HA 0.232 4.290 4.350 -0.487 0.000 0.259 252 E C -2.196 174.536 176.600 0.219 0.000 1.108 252 E CA -1.523 54.972 56.400 0.159 0.000 0.916 252 E CB 0.369 30.214 29.700 0.242 0.000 0.989 252 E HN 0.288 nan 8.360 nan 0.000 0.432 253 P HA 0.080 nan 4.420 nan 0.000 0.268 253 P C -0.030 177.337 177.300 0.111 0.000 1.208 253 P CA 0.216 63.433 63.100 0.195 0.000 0.777 253 P CB 0.851 32.666 31.700 0.193 0.000 0.875 254 G N 0.603 109.436 108.800 0.055 0.000 2.340 254 G HA2 0.140 3.808 3.960 -0.487 0.000 0.282 254 G HA3 0.140 3.808 3.960 -0.487 0.000 0.282 254 G C -1.458 173.344 174.900 -0.164 0.000 1.312 254 G CA -0.679 44.365 45.100 -0.093 0.000 0.942 254 G HN 0.513 nan 8.290 nan 0.000 0.495 255 T N 0.692 115.040 114.554 -0.344 0.000 2.829 255 T HA 0.707 4.764 4.350 -0.487 0.000 0.282 255 T C -1.105 173.226 174.700 -0.615 0.000 0.990 255 T CA 0.182 62.078 62.100 -0.341 0.000 1.028 255 T CB 0.913 69.640 68.868 -0.235 0.000 0.951 255 T HN 0.427 nan 8.240 nan 0.000 0.460 256 Y N 1.228 121.150 120.300 -0.631 0.000 2.605 256 Y HA 0.482 4.815 4.550 -0.363 0.000 0.343 256 Y C 0.198 175.702 175.900 -0.661 0.000 1.036 256 Y CA -1.316 56.349 58.100 -0.725 0.000 1.065 256 Y CB 1.788 39.514 38.460 -1.225 0.000 1.288 256 Y HN 0.480 nan 8.280 nan 0.000 0.481 257 N N 0.642 119.262 118.700 -0.134 0.000 2.400 257 N HA 0.609 5.056 4.740 -0.487 0.000 0.288 257 N C -1.183 174.497 175.510 0.282 0.000 1.024 257 N CA -0.562 52.507 53.050 0.033 0.000 0.894 257 N CB 1.603 40.137 38.487 0.079 0.000 1.173 257 N HN 0.683 nan 8.380 nan 0.000 0.487 258 A N 1.506 124.581 122.820 0.426 0.000 2.316 258 A HA 0.516 4.544 4.320 -0.487 0.000 0.311 258 A C -0.150 177.639 177.584 0.342 0.000 1.339 258 A CA -0.295 52.058 52.037 0.527 0.000 0.960 258 A CB -0.043 19.244 19.000 0.479 0.000 1.152 258 A HN 0.532 nan 8.150 nan 0.000 0.547 259 S N 0.702 116.603 115.700 0.335 0.000 2.638 259 S HA 0.807 4.985 4.470 -0.487 0.000 0.298 259 S C 0.092 174.817 174.600 0.207 0.000 1.111 259 S CA -0.434 57.904 58.200 0.229 0.000 1.027 259 S CB 1.668 64.994 63.200 0.210 0.000 1.064 259 S HN 0.870 nan 8.310 nan 0.000 0.525 260 T N -0.189 114.450 114.554 0.143 0.000 2.923 260 T HA 0.328 4.385 4.350 -0.487 0.000 0.311 260 T C 0.791 175.546 174.700 0.091 0.000 1.183 260 T CA -0.523 61.639 62.100 0.104 0.000 1.020 260 T CB 1.115 70.011 68.868 0.046 0.000 1.165 260 T HN 0.478 nan 8.240 nan 0.000 0.482 261 V N 1.255 121.235 119.914 0.109 0.000 2.970 261 V HA 0.601 4.429 4.120 -0.487 0.000 0.260 261 V C 0.988 177.118 176.094 0.060 0.000 1.100 261 V CA 1.202 63.572 62.300 0.118 0.000 1.122 261 V CB -1.129 30.833 31.823 0.231 0.000 0.721 261 V HN 1.387 nan 8.190 nan 0.000 0.483 262 G N -0.775 108.031 108.800 0.011 0.000 2.337 262 G HA2 0.406 4.073 3.960 -0.487 0.000 0.310 262 G HA3 0.406 4.073 3.960 -0.487 0.000 0.310 262 G C -0.276 174.513 174.900 -0.184 0.000 1.534 262 G CA 0.334 45.400 45.100 -0.057 0.000 0.982 262 G HN 0.652 nan 8.290 nan 0.000 0.672 263 K N -1.224 119.010 120.400 -0.276 0.000 9.188 263 K HA -0.255 3.773 4.320 -0.487 0.000 0.503 263 K C 0.172 176.378 176.600 -0.656 0.000 0.367 263 K CA 2.710 58.663 56.287 -0.558 0.000 1.958 263 K CB -1.965 30.006 32.500 -0.881 0.000 0.698 263 K HN 1.038 nan 8.250 nan 0.000 1.029 264 F N 1.459 121.199 119.950 -0.351 0.000 2.420 264 F HA 0.491 4.724 4.527 -0.490 0.000 0.352 264 F C 0.336 175.949 175.800 -0.312 0.000 1.108 264 F CA -0.839 56.875 58.000 -0.476 0.000 1.162 264 F CB 1.118 39.470 39.000 -1.080 0.000 1.118 264 F HN 0.132 nan 8.300 nan 0.000 0.510 265 L N 4.851 126.052 121.223 -0.036 0.000 2.333 265 L HA 0.748 4.796 4.340 -0.487 0.000 0.280 265 L C -1.151 175.744 176.870 0.042 0.000 1.004 265 L CA -0.658 54.210 54.840 0.046 0.000 0.820 265 L CB 1.738 43.864 42.059 0.112 0.000 1.247 265 L HN 0.370 nan 8.230 nan 0.000 0.416 266 V N 6.204 126.173 119.914 0.092 0.000 2.483 266 V HA 0.573 4.400 4.120 -0.487 0.000 0.297 266 V C -1.215 174.997 176.094 0.196 0.000 1.027 266 V CA -0.524 61.797 62.300 0.036 0.000 0.855 266 V CB 1.345 33.153 31.823 -0.024 0.000 0.995 266 V HN 0.721 nan 8.190 nan 0.000 0.424 267 Y N 4.482 124.775 120.300 -0.012 0.000 2.544 267 Y HA 0.864 5.109 4.550 -0.508 0.000 0.342 267 Y C -3.163 172.531 175.900 -0.342 0.000 1.062 267 Y CA -3.235 54.727 58.100 -0.231 0.000 1.023 267 Y CB 1.981 40.318 38.460 -0.206 0.000 1.308 267 Y HN 0.413 nan 8.280 nan 0.000 0.457 268 P HA 0.189 nan 4.420 nan 0.000 0.278 268 P C 0.158 177.322 177.300 -0.226 0.000 1.238 268 P CA -0.193 62.675 63.100 -0.388 0.000 0.794 268 P CB 2.016 33.376 31.700 -0.567 0.000 0.955 269 T N -1.352 113.097 114.554 -0.176 0.000 3.003 269 T HA 0.288 4.346 4.350 -0.487 0.000 0.261 269 T C 0.347 174.977 174.700 -0.118 0.000 1.003 269 T CA -0.002 62.041 62.100 -0.096 0.000 0.917 269 T CB 0.122 68.939 68.868 -0.084 0.000 1.084 269 T HN 0.358 nan 8.240 nan 0.000 0.522 270 K N 1.074 121.377 120.400 -0.161 0.000 2.532 270 K HA 0.674 4.702 4.320 -0.487 0.000 0.265 270 K C -1.346 175.147 176.600 -0.178 0.000 0.948 270 K CA -0.785 55.399 56.287 -0.172 0.000 0.842 270 K CB 2.418 34.793 32.500 -0.208 0.000 1.392 270 K HN 0.230 nan 8.250 nan 0.000 0.436 271 S N 0.057 115.660 115.700 -0.162 0.000 2.607 271 S HA 0.465 4.643 4.470 -0.487 0.000 0.273 271 S C -1.571 172.942 174.600 -0.145 0.000 1.148 271 S CA -0.879 57.270 58.200 -0.085 0.000 0.833 271 S CB 0.583 63.817 63.200 0.057 0.000 1.130 271 S HN 0.508 nan 8.310 nan 0.000 0.470 272 Y N 0.929 121.260 120.300 0.052 0.000 2.425 272 Y HA 0.405 4.660 4.550 -0.492 0.000 0.347 272 Y C 0.996 176.876 175.900 -0.034 0.000 0.976 272 Y CA -0.479 57.640 58.100 0.033 0.000 1.190 272 Y CB 0.733 39.215 38.460 0.036 0.000 1.136 272 Y HN 0.918 nan 8.280 nan 0.000 0.517 273 c N 7.299 125.927 118.600 0.047 0.000 2.576 273 c HA 0.593 4.871 4.570 -0.487 0.000 0.401 273 c C -0.265 173.778 174.090 -0.077 0.000 1.314 273 c CA -0.650 55.568 56.329 -0.185 0.000 1.855 273 c CB -1.610 40.827 42.510 -0.123 0.000 2.537 273 c HN 0.842 nan 8.230 nan 0.000 0.578 274 M N 5.693 125.190 119.600 -0.171 0.000 2.518 274 M HA 0.405 4.593 4.480 -0.487 0.000 0.300 274 M C -0.645 175.612 176.300 -0.071 0.000 1.175 274 M CA -0.506 54.761 55.300 -0.056 0.000 0.890 274 M CB 2.121 34.696 32.600 -0.041 0.000 1.710 274 M HN 0.805 nan 8.290 nan 0.000 0.453 275 D N 0.471 120.872 120.400 0.001 0.000 2.539 275 D HA 0.510 4.857 4.640 -0.487 0.000 0.280 275 D C -0.736 175.579 176.300 0.026 0.000 1.208 275 D CA -0.341 53.664 54.000 0.010 0.000 1.088 275 D CB 0.530 41.351 40.800 0.035 0.000 1.149 275 D HN 0.444 nan 8.370 nan 0.000 0.596 276 T N -0.295 114.281 114.554 0.037 0.000 2.841 276 T HA 0.551 4.608 4.350 -0.487 0.000 0.283 276 T C -0.272 174.454 174.700 0.043 0.000 1.000 276 T CA -0.768 61.361 62.100 0.048 0.000 0.977 276 T CB 0.899 69.800 68.868 0.056 0.000 0.979 276 T HN 0.510 nan 8.240 nan 0.000 0.446 277 M N 1.786 121.411 119.600 0.042 0.000 2.602 277 M HA 0.611 4.799 4.480 -0.487 0.000 0.312 277 M C 0.408 176.727 176.300 0.032 0.000 1.181 277 M CA -0.903 54.416 55.300 0.032 0.000 0.910 277 M CB 1.621 34.234 32.600 0.022 0.000 1.723 277 M HN 0.346 nan 8.290 nan 0.000 0.459 278 N N 2.030 120.747 118.700 0.028 0.000 2.398 278 N HA 0.161 4.608 4.740 -0.487 0.000 0.188 278 N C -0.091 175.433 175.510 0.023 0.000 1.122 278 N CA 0.029 53.096 53.050 0.029 0.000 0.866 278 N CB -0.443 38.062 38.487 0.029 0.000 0.970 278 N HN 0.854 nan 8.380 nan 0.000 0.462 279 I N -3.372 117.207 120.570 0.015 0.000 2.530 279 I HA 0.540 4.417 4.170 -0.487 0.000 0.297 279 I C -0.954 175.162 176.117 -0.001 0.000 1.011 279 I CA -0.926 60.378 61.300 0.007 0.000 1.107 279 I CB 2.067 40.065 38.000 -0.002 0.000 1.285 279 I HN -0.316 nan 8.210 nan 0.000 0.436 280 T N 5.062 119.616 114.554 0.001 0.000 2.817 280 T HA 0.525 4.583 4.350 -0.487 0.000 0.293 280 T C -0.222 174.450 174.700 -0.047 0.000 0.964 280 T CA -0.305 61.795 62.100 -0.000 0.000 1.085 280 T CB 1.414 70.297 68.868 0.025 0.000 0.921 280 T HN 0.435 nan 8.240 nan 0.000 0.502 281 V N 6.800 126.667 119.914 -0.078 0.000 2.569 281 V HA 0.367 4.194 4.120 -0.487 0.000 0.301 281 V C -2.257 173.765 176.094 -0.120 0.000 1.044 281 V CA -2.119 60.047 62.300 -0.224 0.000 0.874 281 V CB 1.932 33.544 31.823 -0.350 0.000 1.002 281 V HN 0.704 nan 8.190 nan 0.000 0.424 282 P HA 0.138 nan 4.420 nan 0.000 0.269 282 P C -0.079 177.282 177.300 0.102 0.000 1.209 282 P CA 0.273 63.413 63.100 0.065 0.000 0.776 282 P CB 0.937 32.708 31.700 0.118 0.000 0.876 283 V N 0.609 120.612 119.914 0.149 0.000 3.295 283 V HA 0.408 4.236 4.120 -0.487 0.000 0.308 283 V C -0.118 176.080 176.094 0.174 0.000 1.068 283 V CA -0.470 61.965 62.300 0.227 0.000 1.062 283 V CB 0.277 32.312 31.823 0.352 0.000 1.162 283 V HN 0.446 nan 8.190 nan 0.000 0.456 284 Q N 0.805 120.764 119.800 0.265 0.000 2.337 284 Q HA 0.775 4.823 4.340 -0.487 0.000 0.270 284 Q C -0.822 175.348 176.000 0.283 0.000 1.043 284 Q CA -0.545 55.407 55.803 0.248 0.000 0.794 284 Q CB 2.137 31.094 28.738 0.366 0.000 1.281 284 Q HN 1.195 nan 8.270 nan 0.000 0.446 285 A N 2.103 125.030 122.820 0.177 0.000 2.371 285 A HA 0.726 4.754 4.320 -0.487 0.000 0.311 285 A C -0.934 176.862 177.584 0.354 0.000 1.068 285 A CA -0.554 51.636 52.037 0.254 0.000 0.744 285 A CB 1.354 20.337 19.000 -0.029 0.000 1.239 285 A HN 0.469 nan 8.150 nan 0.000 0.435 286 V N 2.442 122.579 119.914 0.372 0.000 2.435 286 V HA 0.335 4.162 4.120 -0.487 0.000 0.290 286 V C 0.333 176.657 176.094 0.383 0.000 1.030 286 V CA -0.662 61.780 62.300 0.236 0.000 0.881 286 V CB 1.503 33.325 31.823 -0.002 0.000 0.983 286 V HN 1.038 nan 8.190 nan 0.000 0.445 287 Q N 3.101 123.056 119.800 0.259 0.000 2.269 287 Q HA 0.040 4.087 4.340 -0.487 0.000 0.300 287 Q C -0.026 176.214 176.000 0.400 0.000 1.070 287 Q CA 0.920 56.955 55.803 0.386 0.000 0.957 287 Q CB 0.671 29.554 28.738 0.241 0.000 1.131 287 Q HN 0.848 nan 8.270 nan 0.000 0.377 288 S N 5.970 121.840 115.700 0.284 0.000 2.667 288 S HA 0.647 4.825 4.470 -0.487 0.000 0.304 288 S C -0.696 173.882 174.600 -0.036 0.000 1.135 288 S CA -0.787 57.483 58.200 0.117 0.000 1.125 288 S CB -0.547 62.634 63.200 -0.033 0.000 0.996 288 S HN 0.593 nan 8.310 nan 0.000 0.474 289 I N 0.492 121.040 120.570 -0.035 0.000 3.174 289 I HA 0.779 4.657 4.170 -0.487 0.000 0.313 289 I C -0.974 174.997 176.117 -0.243 0.000 1.155 289 I CA -1.653 59.590 61.300 -0.096 0.000 0.977 289 I CB 1.294 39.360 38.000 0.111 0.000 1.248 289 I HN 0.496 nan 8.210 nan 0.000 0.453 290 W N 1.457 122.750 121.300 -0.010 0.000 2.213 290 W HA 0.547 4.915 4.660 -0.487 0.000 0.356 290 W C 0.950 177.483 176.519 0.023 0.000 1.273 290 W CA -0.433 56.880 57.345 -0.053 0.000 1.391 290 W CB 1.096 30.614 29.460 0.098 0.000 1.187 290 W HN 0.678 nan 8.180 nan 0.000 0.649 291 S N -0.088 115.811 115.700 0.332 0.000 2.580 291 S HA -0.053 4.124 4.470 -0.487 0.000 0.261 291 S C 0.552 175.232 174.600 0.135 0.000 1.366 291 S CA -0.126 58.217 58.200 0.238 0.000 0.996 291 S CB 0.605 63.907 63.200 0.169 0.000 0.902 291 S HN 0.642 nan 8.310 nan 0.000 0.566 292 E N 0.398 120.632 120.200 0.056 0.000 2.511 292 E HA -0.069 3.989 4.350 -0.487 0.000 0.196 292 E C 1.736 178.255 176.600 -0.134 0.000 1.066 292 E CA 0.167 56.569 56.400 0.003 0.000 0.871 292 E CB -0.174 29.541 29.700 0.023 0.000 0.863 292 E HN 0.675 nan 8.360 nan 0.000 0.520 293 Q N -0.531 119.066 119.800 -0.338 0.000 2.224 293 Q HA -0.090 3.958 4.340 -0.487 0.000 0.203 293 Q C -0.025 175.513 176.000 -0.770 0.000 0.970 293 Q CA 1.065 56.463 55.803 -0.676 0.000 0.865 293 Q CB 0.133 28.189 28.738 -1.136 0.000 0.922 293 Q HN 0.317 nan 8.270 nan 0.000 0.445 294 Y N -1.259 119.021 120.300 -0.035 0.000 2.598 294 Y HA 0.609 4.867 4.550 -0.487 0.000 0.340 294 Y C -0.352 175.569 175.900 0.035 0.000 1.038 294 Y CA -1.775 56.271 58.100 -0.091 0.000 1.100 294 Y CB 1.168 39.417 38.460 -0.352 0.000 1.281 294 Y HN -0.200 nan 8.280 nan 0.000 0.488 295 A N 1.457 124.401 122.820 0.208 0.000 2.354 295 A HA 0.599 4.627 4.320 -0.487 0.000 0.281 295 A C -0.376 177.396 177.584 0.312 0.000 1.174 295 A CA -0.205 51.949 52.037 0.195 0.000 0.828 295 A CB -0.026 19.050 19.000 0.127 0.000 1.099 295 A HN 0.649 nan 8.150 nan 0.000 0.516 296 S N 0.708 116.571 115.700 0.272 0.000 2.766 296 S HA 0.694 4.872 4.470 -0.487 0.000 0.307 296 S C -0.506 174.195 174.600 0.168 0.000 1.121 296 S CA -0.404 57.945 58.200 0.249 0.000 0.980 296 S CB 1.436 64.760 63.200 0.206 0.000 1.159 296 S HN 0.917 nan 8.310 nan 0.000 0.546 297 D N -1.347 119.133 120.400 0.133 0.000 2.566 297 D HA 0.469 4.816 4.640 -0.487 0.000 0.254 297 D C -1.042 175.306 176.300 0.081 0.000 1.090 297 D CA -0.569 53.497 54.000 0.110 0.000 1.034 297 D CB 0.663 41.538 40.800 0.125 0.000 1.434 297 D HN 0.291 nan 8.370 nan 0.000 0.509 298 D N -1.361 119.074 120.400 0.059 0.000 2.643 298 D HA 0.371 4.719 4.640 -0.487 0.000 0.244 298 D C 1.221 177.501 176.300 -0.033 0.000 1.257 298 D CA -0.109 53.906 54.000 0.026 0.000 0.831 298 D CB 0.182 41.000 40.800 0.030 0.000 1.043 298 D HN 0.463 nan 8.370 nan 0.000 0.488 299 A N 0.354 123.160 122.820 -0.022 0.000 1.902 299 A HA -0.137 3.890 4.320 -0.487 0.000 0.217 299 A C 1.966 179.474 177.584 -0.127 0.000 1.181 299 A CA 0.813 52.819 52.037 -0.052 0.000 0.623 299 A CB -0.343 18.646 19.000 -0.018 0.000 0.818 299 A HN 0.347 nan 8.150 nan 0.000 0.443 300 I N 0.054 120.520 120.570 -0.172 0.000 2.179 300 I HA -0.183 3.695 4.170 -0.487 0.000 0.242 300 I C 2.715 178.576 176.117 -0.427 0.000 1.088 300 I CA 1.604 62.773 61.300 -0.217 0.000 1.357 300 I CB -2.061 35.879 38.000 -0.100 0.000 1.051 300 I HN 0.341 nan 8.210 nan 0.000 0.409 301 G N 0.318 108.710 108.800 -0.679 0.000 2.432 301 G HA2 -0.213 3.455 3.960 -0.487 0.000 0.219 301 G HA3 -0.213 3.455 3.960 -0.487 0.000 0.219 301 G C 1.506 176.055 174.900 -0.585 0.000 1.135 301 G CA 0.286 44.624 45.100 -1.268 0.000 0.767 301 G HN 0.352 nan 8.290 nan 0.000 0.550 302 Q N 0.207 119.835 119.800 -0.286 0.000 2.245 302 Q HA 0.164 4.212 4.340 -0.487 0.000 0.201 302 Q C 2.729 178.677 176.000 -0.086 0.000 0.955 302 Q CA 1.091 56.807 55.803 -0.144 0.000 0.870 302 Q CB -0.223 28.471 28.738 -0.073 0.000 0.945 302 Q HN 0.486 nan 8.270 nan 0.000 0.461 303 A N -0.235 122.543 122.820 -0.069 0.000 1.984 303 A HA -0.033 3.995 4.320 -0.487 0.000 0.214 303 A C 1.255 178.978 177.584 0.231 0.000 1.173 303 A CA 0.263 52.348 52.037 0.080 0.000 0.673 303 A CB -0.136 18.889 19.000 0.042 0.000 0.830 303 A HN 0.372 nan 8.150 nan 0.000 0.453 304 c N 2.726 121.332 118.600 0.011 0.000 2.158 304 c HA 0.534 4.812 4.570 -0.487 0.000 0.350 304 c C -0.400 173.518 174.090 -0.288 0.000 1.064 304 c CA -0.850 55.394 56.329 -0.142 0.000 1.507 304 c CB -1.777 40.556 42.510 -0.295 0.000 1.934 304 c HN 0.284 nan 8.230 nan 0.000 0.479 305 K N 3.748 123.861 120.400 -0.477 0.000 2.375 305 K HA 0.614 4.642 4.320 -0.487 0.000 0.249 305 K C -0.056 176.119 176.600 -0.709 0.000 0.942 305 K CA -0.246 55.757 56.287 -0.474 0.000 0.806 305 K CB 1.901 34.228 32.500 -0.288 0.000 1.227 305 K HN 0.663 nan 8.250 nan 0.000 0.430 306 A N 2.925 125.528 122.820 -0.361 0.000 2.561 306 A HA 0.133 4.160 4.320 -0.487 0.000 0.234 306 A C -1.376 176.064 177.584 -0.240 0.000 1.055 306 A CA -0.238 51.646 52.037 -0.255 0.000 0.756 306 A CB -0.317 18.617 19.000 -0.110 0.000 0.986 306 A HN 0.473 nan 8.150 nan 0.000 0.505 307 P HA 0.095 nan 4.420 nan 0.000 0.267 307 P C 0.200 177.505 177.300 0.008 0.000 1.289 307 P CA 0.654 63.740 63.100 -0.022 0.000 0.866 307 P CB -0.085 31.654 31.700 0.066 0.000 1.309 308 Y N -2.307 118.007 120.300 0.024 0.000 2.458 308 Y HA 0.480 4.741 4.550 -0.481 0.000 0.254 308 Y C 0.695 176.602 175.900 0.012 0.000 1.120 308 Y CA -0.997 57.119 58.100 0.027 0.000 1.282 308 Y CB -0.601 37.880 38.460 0.035 0.000 1.109 308 Y HN -0.106 nan 8.280 nan 0.000 0.526 309 c N 1.564 119.983 118.600 -0.302 0.000 2.782 309 c HA 0.639 4.917 4.570 -0.487 0.000 0.328 309 c C -0.825 173.134 174.090 -0.218 0.000 1.145 309 c CA -1.296 54.893 56.329 -0.232 0.000 1.358 309 c CB 0.396 42.705 42.510 -0.335 0.000 1.841 309 c HN 0.345 nan 8.230 nan 0.000 0.477 310 I N 5.502 125.982 120.570 -0.150 0.000 2.307 310 I HA 0.320 4.198 4.170 -0.487 0.000 0.289 310 I C -0.553 175.371 176.117 -0.322 0.000 1.021 310 I CA -0.182 60.980 61.300 -0.229 0.000 1.224 310 I CB 0.753 38.623 38.000 -0.218 0.000 1.376 310 I HN 0.514 nan 8.210 nan 0.000 0.470 311 F N 7.970 127.654 119.950 -0.444 0.000 2.404 311 F HA 0.416 4.651 4.527 -0.487 0.000 0.354 311 F C -0.950 174.619 175.800 -0.384 0.000 1.122 311 F CA -0.959 56.846 58.000 -0.325 0.000 1.080 311 F CB 0.495 39.386 39.000 -0.181 0.000 1.131 311 F HN 0.230 nan 8.300 nan 0.000 0.471 312 Y N 5.298 125.315 120.300 -0.472 0.000 2.700 312 Y HA 0.252 4.510 4.550 -0.488 0.000 0.333 312 Y C 0.552 175.991 175.900 -0.767 0.000 1.036 312 Y CA -0.754 57.050 58.100 -0.494 0.000 1.287 312 Y CB -0.191 37.999 38.460 -0.450 0.000 1.132 312 Y HN 0.528 nan 8.280 nan 0.000 0.510 313 N N 2.511 120.778 118.700 -0.721 0.000 2.424 313 N HA 0.144 4.592 4.740 -0.487 0.000 0.257 313 N C -0.514 174.941 175.510 -0.093 0.000 1.250 313 N CA -0.329 52.366 53.050 -0.591 0.000 0.946 313 N CB 0.727 39.010 38.487 -0.339 0.000 1.175 313 N HN 0.438 nan 8.380 nan 0.000 0.477 314 K N -0.175 120.213 120.400 -0.019 0.000 2.205 314 K HA 0.134 4.162 4.320 -0.487 0.000 0.279 314 K C 0.798 177.409 176.600 0.018 0.000 1.027 314 K CA -0.228 56.079 56.287 0.034 0.000 0.932 314 K CB 0.816 33.354 32.500 0.064 0.000 1.032 314 K HN 0.676 nan 8.250 nan 0.000 0.466 315 T N -2.271 112.277 114.554 -0.009 0.000 3.060 315 T HA -0.012 4.046 4.350 -0.487 0.000 0.249 315 T C 0.754 175.446 174.700 -0.013 0.000 1.079 315 T CA -0.002 62.080 62.100 -0.031 0.000 1.013 315 T CB -0.063 68.754 68.868 -0.085 0.000 0.975 315 T HN 0.626 nan 8.240 nan 0.000 0.518 316 T N 0.102 114.655 114.554 -0.001 0.000 2.924 316 T HA 0.683 4.741 4.350 -0.487 0.000 0.291 316 T C -3.108 171.614 174.700 0.036 0.000 1.045 316 T CA -2.193 59.910 62.100 0.006 0.000 1.015 316 T CB 1.980 70.840 68.868 -0.014 0.000 1.103 316 T HN -0.105 nan 8.240 nan 0.000 0.496 317 P HA 0.050 nan 4.420 nan 0.000 0.272 317 P C -0.867 176.497 177.300 0.107 0.000 1.248 317 P CA -0.398 62.760 63.100 0.097 0.000 0.799 317 P CB 0.251 32.004 31.700 0.088 0.000 0.997 318 Y N 0.429 120.774 120.300 0.076 0.000 2.587 318 Y HA 0.168 4.425 4.550 -0.487 0.000 0.344 318 Y C -0.102 175.842 175.900 0.074 0.000 1.061 318 Y CA 0.974 59.125 58.100 0.085 0.000 1.370 318 Y CB -0.054 38.474 38.460 0.113 0.000 1.163 318 Y HN 0.142 nan 8.280 nan 0.000 0.527 319 T N 6.127 120.631 114.554 -0.083 0.000 2.985 319 T HA 0.350 4.407 4.350 -0.487 0.000 0.315 319 T C -1.086 173.588 174.700 -0.043 0.000 1.001 319 T CA -0.627 61.467 62.100 -0.010 0.000 1.016 319 T CB 0.473 69.325 68.868 -0.027 0.000 0.993 319 T HN 0.294 nan 8.240 nan 0.000 0.454 320 V N 3.754 123.704 119.914 0.060 0.000 2.398 320 V HA 0.446 4.274 4.120 -0.487 0.000 0.286 320 V C 1.381 177.509 176.094 0.056 0.000 1.026 320 V CA -0.492 61.851 62.300 0.071 0.000 0.868 320 V CB 1.339 33.264 31.823 0.171 0.000 0.982 320 V HN 1.058 nan 8.190 nan 0.000 0.443 321 T N -0.122 114.453 114.554 0.034 0.000 2.978 321 T HA 0.161 4.219 4.350 -0.487 0.000 0.248 321 T C 0.670 175.390 174.700 0.034 0.000 1.018 321 T CA 0.228 62.346 62.100 0.030 0.000 1.026 321 T CB 0.050 68.927 68.868 0.014 0.000 1.032 321 T HN 0.458 nan 8.240 nan 0.000 0.485 322 N N 0.958 119.681 118.700 0.039 0.000 2.711 322 N HA 0.488 4.936 4.740 -0.487 0.000 0.263 322 N C -0.368 175.176 175.510 0.057 0.000 1.667 322 N CA -0.245 52.830 53.050 0.041 0.000 0.785 322 N CB 0.943 39.447 38.487 0.029 0.000 1.231 322 N HN 0.529 nan 8.380 nan 0.000 0.503 323 G N -1.025 107.824 108.800 0.081 0.000 3.140 323 G HA2 0.359 4.026 3.960 -0.487 0.000 0.271 323 G HA3 0.359 4.026 3.960 -0.487 0.000 0.271 323 G C 0.555 175.517 174.900 0.103 0.000 1.370 323 G CA -0.251 44.916 45.100 0.112 0.000 1.014 323 G HN 0.223 nan 8.290 nan 0.000 0.541 324 S N -1.317 114.454 115.700 0.119 0.000 2.458 324 S HA 0.189 4.367 4.470 -0.487 0.000 0.223 324 S C 0.487 175.142 174.600 0.090 0.000 1.019 324 S CA 1.320 59.562 58.200 0.071 0.000 0.937 324 S CB -0.246 62.960 63.200 0.010 0.000 0.788 324 S HN 0.847 nan 8.310 nan 0.000 0.511 325 D N -1.065 119.434 120.400 0.165 0.000 2.779 325 D HA 0.606 4.954 4.640 -0.487 0.000 0.331 325 D C 0.470 176.907 176.300 0.229 0.000 1.331 325 D CA -0.252 53.852 54.000 0.174 0.000 0.866 325 D CB 0.573 41.474 40.800 0.169 0.000 1.409 325 D HN -0.003 nan 8.370 nan 0.000 0.486 326 A N -0.659 122.285 122.820 0.207 0.000 2.172 326 A HA -0.070 3.958 4.320 -0.487 0.000 0.216 326 A C 1.075 178.835 177.584 0.295 0.000 1.154 326 A CA 0.912 53.082 52.037 0.223 0.000 0.701 326 A CB -0.738 18.361 19.000 0.165 0.000 0.789 326 A HN 0.493 nan 8.150 nan 0.000 0.465 327 N N -0.584 118.270 118.700 0.257 0.000 2.204 327 N HA 0.102 4.549 4.740 -0.487 0.000 0.219 327 N C -1.126 174.241 175.510 -0.237 0.000 1.151 327 N CA 0.141 53.178 53.050 -0.022 0.000 0.867 327 N CB 0.351 38.886 38.487 0.080 0.000 1.043 327 N HN 0.566 nan 8.380 nan 0.000 0.516 328 H N -0.938 118.316 119.070 0.307 0.000 2.924 328 H HA 0.459 4.722 4.556 -0.488 0.000 0.333 328 H C 0.353 175.858 175.328 0.295 0.000 0.979 328 H CA -0.279 55.952 56.048 0.305 0.000 1.326 328 H CB 1.550 31.411 29.762 0.164 0.000 1.600 328 H HN 0.116 nan 8.280 nan 0.000 0.520 329 G N 2.876 111.897 108.800 0.368 0.000 2.337 329 G HA2 -0.206 3.462 3.960 -0.487 0.000 0.134 329 G HA3 -0.206 3.462 3.960 -0.487 0.000 0.134 329 G C -0.589 174.319 174.900 0.014 0.000 1.052 329 G CA -0.562 44.641 45.100 0.171 0.000 0.737 329 G HN 0.720 nan 8.290 nan 0.000 0.485 330 D N 0.056 120.330 120.400 -0.209 0.000 2.450 330 D HA 0.335 4.683 4.640 -0.487 0.000 0.247 330 D C 1.334 177.490 176.300 -0.240 0.000 1.162 330 D CA 0.116 53.799 54.000 -0.527 0.000 0.879 330 D CB 0.671 40.749 40.800 -1.203 0.000 1.163 330 D HN 0.075 nan 8.370 nan 0.000 0.472 331 D N 2.958 123.254 120.400 -0.173 0.000 2.117 331 D HA -0.156 4.192 4.640 -0.487 0.000 0.198 331 D C 1.446 177.690 176.300 -0.094 0.000 0.982 331 D CA 0.815 54.758 54.000 -0.095 0.000 0.828 331 D CB 0.021 40.783 40.800 -0.062 0.000 0.967 331 D HN 0.717 nan 8.370 nan 0.000 0.464 332 E N 0.525 120.656 120.200 -0.115 0.000 2.017 332 E HA -0.145 3.913 4.350 -0.487 0.000 0.193 332 E C 2.136 178.674 176.600 -0.103 0.000 0.997 332 E CA 0.936 57.283 56.400 -0.088 0.000 0.804 332 E CB 0.134 29.790 29.700 -0.074 0.000 0.757 332 E HN -0.032 nan 8.360 nan 0.000 0.448 333 V N 1.184 121.009 119.914 -0.148 0.000 2.407 333 V HA -0.249 3.578 4.120 -0.487 0.000 0.248 333 V C 2.464 178.465 176.094 -0.154 0.000 1.055 333 V CA 1.939 64.126 62.300 -0.188 0.000 1.049 333 V CB -0.568 31.117 31.823 -0.229 0.000 0.662 333 V HN 0.267 nan 8.190 nan 0.000 0.455 334 R N -0.928 119.510 120.500 -0.103 0.000 2.103 334 R HA -0.242 3.805 4.340 -0.487 0.000 0.242 334 R C 2.280 178.558 176.300 -0.037 0.000 1.142 334 R CA 2.114 58.179 56.100 -0.058 0.000 0.960 334 R CB -0.422 29.858 30.300 -0.033 0.000 0.858 334 R HN 0.393 nan 8.270 nan 0.000 0.439 335 M N 0.296 119.879 119.600 -0.029 0.000 2.099 335 M HA -0.107 4.081 4.480 -0.487 0.000 0.262 335 M C 2.002 178.336 176.300 0.056 0.000 1.067 335 M CA 1.737 57.054 55.300 0.028 0.000 1.124 335 M CB -0.095 32.507 32.600 0.003 0.000 1.353 335 M HN 0.059 nan 8.290 nan 0.000 0.410 336 M N -1.018 118.543 119.600 -0.065 0.000 2.108 336 M HA -0.246 3.942 4.480 -0.487 0.000 0.261 336 M C 1.801 178.035 176.300 -0.110 0.000 1.066 336 M CA 1.433 56.638 55.300 -0.158 0.000 1.107 336 M CB -0.443 31.959 32.600 -0.330 0.000 1.356 336 M HN 0.245 nan 8.290 nan 0.000 0.406 337 M N -0.136 119.393 119.600 -0.119 0.000 2.476 337 M HA -0.107 4.081 4.480 -0.487 0.000 0.262 337 M C 1.863 178.125 176.300 -0.063 0.000 1.079 337 M CA 1.115 56.352 55.300 -0.104 0.000 1.104 337 M CB -0.973 31.570 32.600 -0.095 0.000 1.409 337 M HN 0.277 nan 8.290 nan 0.000 0.467 338 Q N -0.244 119.537 119.800 -0.032 0.000 2.234 338 Q HA -0.074 3.974 4.340 -0.487 0.000 0.206 338 Q C 2.117 177.976 176.000 -0.235 0.000 0.980 338 Q CA 1.601 57.345 55.803 -0.098 0.000 0.869 338 Q CB -1.052 27.633 28.738 -0.089 0.000 0.912 338 Q HN 0.625 nan 8.270 nan 0.000 0.436 339 G N 0.810 109.487 108.800 -0.205 0.000 2.479 339 G HA2 -0.186 3.482 3.960 -0.487 0.000 0.220 339 G HA3 -0.186 3.482 3.960 -0.487 0.000 0.220 339 G C 1.377 176.094 174.900 -0.306 0.000 1.115 339 G CA 0.297 45.221 45.100 -0.293 0.000 0.757 339 G HN 0.314 nan 8.290 nan 0.000 0.560 340 L N -0.113 120.970 121.223 -0.233 0.000 2.552 340 L HA 0.219 4.266 4.340 -0.487 0.000 0.227 340 L C 2.214 179.043 176.870 -0.070 0.000 1.146 340 L CA -0.035 54.660 54.840 -0.241 0.000 0.858 340 L CB -0.016 41.925 42.059 -0.196 0.000 0.969 340 L HN 0.188 nan 8.230 nan 0.000 0.451 341 L N -0.236 120.936 121.223 -0.085 0.000 2.554 341 L HA 0.049 4.096 4.340 -0.487 0.000 0.226 341 L C 1.023 177.859 176.870 -0.057 0.000 1.137 341 L CA 0.161 54.996 54.840 -0.008 0.000 0.863 341 L CB -0.222 41.810 42.059 -0.044 0.000 0.985 341 L HN 0.279 nan 8.230 nan 0.000 0.451 342 R N -0.064 120.310 120.500 -0.210 0.000 2.668 342 R HA 0.359 4.407 4.340 -0.487 0.000 0.279 342 R C -0.782 175.294 176.300 -0.372 0.000 0.976 342 R CA -0.794 55.162 56.100 -0.240 0.000 0.978 342 R CB 0.584 30.725 30.300 -0.266 0.000 1.133 342 R HN -0.135 nan 8.270 nan 0.000 0.484 343 N N 1.075 119.649 118.700 -0.209 0.000 2.645 343 N HA 0.160 4.608 4.740 -0.487 0.000 0.233 343 N C -0.937 174.469 175.510 -0.173 0.000 1.058 343 N CA -0.036 52.914 53.050 -0.166 0.000 0.942 343 N CB 1.371 39.860 38.487 0.003 0.000 1.210 343 N HN 0.435 nan 8.380 nan 0.000 0.512 344 S N -0.210 115.336 115.700 -0.257 0.000 2.693 344 S HA 0.357 4.535 4.470 -0.487 0.000 0.276 344 S C 1.093 175.627 174.600 -0.109 0.000 1.192 344 S CA -0.553 57.535 58.200 -0.187 0.000 0.994 344 S CB 1.461 64.517 63.200 -0.241 0.000 1.012 344 S HN 0.404 nan 8.310 nan 0.000 0.550 345 S N -0.326 115.321 115.700 -0.088 0.000 2.524 345 S HA 0.194 4.371 4.470 -0.487 0.000 0.222 345 S C 0.189 174.745 174.600 -0.074 0.000 1.040 345 S CA -0.233 57.934 58.200 -0.055 0.000 0.915 345 S CB 0.332 63.510 63.200 -0.038 0.000 0.831 345 S HN 0.753 nan 8.310 nan 0.000 0.492 346 c N 2.567 121.097 118.600 -0.117 0.000 2.482 346 c HA 0.733 5.011 4.570 -0.487 0.000 0.317 346 c C -1.748 172.204 174.090 -0.230 0.000 1.197 346 c CA -0.852 55.386 56.329 -0.153 0.000 1.432 346 c CB 0.055 42.511 42.510 -0.090 0.000 2.062 346 c HN 0.282 nan 8.230 nan 0.000 0.471 347 I N 5.749 126.080 120.570 -0.398 0.000 2.466 347 I HA 0.670 4.547 4.170 -0.487 0.000 0.289 347 I C 0.209 176.150 176.117 -0.293 0.000 1.026 347 I CA 0.281 61.328 61.300 -0.422 0.000 1.078 347 I CB 1.527 39.033 38.000 -0.824 0.000 1.249 347 I HN 0.965 nan 8.210 nan 0.000 0.429 348 S N 6.232 121.886 115.700 -0.076 0.000 2.643 348 S HA 0.624 4.802 4.470 -0.487 0.000 0.270 348 S C -2.726 171.917 174.600 0.073 0.000 1.166 348 S CA -0.980 57.216 58.200 -0.007 0.000 0.815 348 S CB 2.131 65.331 63.200 -0.000 0.000 1.139 348 S HN 0.268 nan 8.310 nan 0.000 0.472 349 P HA 0.080 nan 4.420 nan 0.000 0.226 349 P C 0.839 178.270 177.300 0.219 0.000 1.153 349 P CA 0.984 64.075 63.100 -0.015 0.000 0.777 349 P CB 0.010 31.699 31.700 -0.018 0.000 0.794 350 Q N -0.920 119.009 119.800 0.215 0.000 2.389 350 Q HA 0.301 4.348 4.340 -0.487 0.000 0.204 350 Q C 1.244 177.418 176.000 0.290 0.000 0.944 350 Q CA 0.863 56.812 55.803 0.244 0.000 0.908 350 Q CB -0.256 28.557 28.738 0.126 0.000 1.002 350 Q HN 0.220 nan 8.270 nan 0.000 0.493 351 G N -0.598 108.347 108.800 0.243 0.000 2.306 351 G HA2 -0.036 3.632 3.960 -0.487 0.000 0.262 351 G HA3 -0.036 3.632 3.960 -0.487 0.000 0.262 351 G C -0.898 174.023 174.900 0.034 0.000 1.263 351 G CA -0.467 44.696 45.100 0.105 0.000 1.088 351 G HN 0.374 nan 8.290 nan 0.000 0.489 352 S N -1.069 114.626 115.700 -0.008 0.000 2.608 352 S HA 0.887 5.065 4.470 -0.487 0.000 0.291 352 S C 0.102 174.688 174.600 -0.023 0.000 1.146 352 S CA 0.728 58.892 58.200 -0.059 0.000 1.043 352 S CB 1.869 64.990 63.200 -0.131 0.000 1.037 352 S HN 2.303 nan 8.310 nan 0.000 0.520 353 T N -1.201 113.320 114.554 -0.054 0.000 2.896 353 T HA 0.756 4.814 4.350 -0.487 0.000 0.297 353 T C -3.198 171.464 174.700 -0.063 0.000 1.108 353 T CA -1.965 60.114 62.100 -0.036 0.000 1.004 353 T CB 1.627 70.486 68.868 -0.015 0.000 1.159 353 T HN 0.488 nan 8.240 nan 0.000 0.499 354 P HA 0.342 nan 4.420 nan 0.000 0.289 354 P C -0.367 176.907 177.300 -0.044 0.000 1.299 354 P CA -0.830 62.237 63.100 -0.056 0.000 0.766 354 P CB 0.411 32.081 31.700 -0.049 0.000 1.226 355 L N -0.092 121.106 121.223 -0.041 0.000 2.477 355 L HA 0.433 4.481 4.340 -0.487 0.000 0.272 355 L C -0.233 176.609 176.870 -0.046 0.000 1.157 355 L CA 0.522 55.337 54.840 -0.041 0.000 0.889 355 L CB -1.230 40.808 42.059 -0.034 0.000 1.158 355 L HN 0.553 nan 8.230 nan 0.000 0.473 356 A N 4.712 127.497 122.820 -0.058 0.000 2.604 356 A HA 0.458 4.485 4.320 -0.487 0.000 0.295 356 A C 0.315 177.813 177.584 -0.143 0.000 1.067 356 A CA -0.665 51.328 52.037 -0.074 0.000 0.683 356 A CB 0.807 19.791 19.000 -0.028 0.000 1.281 356 A HN 0.695 nan 8.150 nan 0.000 0.407 357 L N -0.209 120.859 121.223 -0.258 0.000 2.056 357 L HA 0.000 4.048 4.340 -0.487 0.000 0.207 357 L C 0.030 176.540 176.870 -0.600 0.000 1.078 357 L CA 1.422 55.917 54.840 -0.574 0.000 0.749 357 L CB -0.329 41.141 42.059 -0.982 0.000 0.901 357 L HN 0.717 nan 8.230 nan 0.000 0.433 358 Y N -2.105 118.179 120.300 -0.026 0.000 2.545 358 Y HA 0.425 4.683 4.550 -0.487 0.000 0.348 358 Y C 0.033 175.989 175.900 0.093 0.000 1.002 358 Y CA -0.836 57.292 58.100 0.046 0.000 1.039 358 Y CB 1.942 40.434 38.460 0.053 0.000 1.271 358 Y HN -0.301 nan 8.280 nan 0.000 0.467 359 S N -0.341 115.582 115.700 0.371 0.000 2.532 359 S HA 0.269 4.447 4.470 -0.487 0.000 0.301 359 S C 0.729 175.605 174.600 0.460 0.000 1.083 359 S CA -0.214 58.168 58.200 0.303 0.000 1.025 359 S CB 1.025 64.364 63.200 0.231 0.000 1.056 359 S HN 0.818 nan 8.310 nan 0.000 0.494 360 T N 0.369 115.118 114.554 0.325 0.000 3.085 360 T HA 0.148 4.206 4.350 -0.487 0.000 0.263 360 T C 0.423 175.420 174.700 0.495 0.000 1.127 360 T CA 0.542 62.880 62.100 0.397 0.000 1.103 360 T CB -0.519 68.445 68.868 0.160 0.000 0.921 360 T HN 0.792 nan 8.240 nan 0.000 0.510 361 E N -0.130 120.213 120.200 0.238 0.000 2.429 361 E HA 0.552 4.609 4.350 -0.487 0.000 0.276 361 E C -1.083 175.183 176.600 -0.556 0.000 0.953 361 E CA -1.368 54.899 56.400 -0.223 0.000 0.787 361 E CB 1.104 30.728 29.700 -0.127 0.000 1.307 361 E HN 0.017 nan 8.360 nan 0.000 0.458 362 M N 1.851 120.786 119.600 -1.110 0.000 2.252 362 M HA 0.217 4.404 4.480 -0.487 0.000 0.348 362 M C -0.950 174.975 176.300 -0.625 0.000 1.334 362 M CA 0.421 55.191 55.300 -0.884 0.000 1.071 362 M CB 0.195 32.191 32.600 -1.006 0.000 1.763 362 M HN 0.485 nan 8.290 nan 0.000 0.452 363 I N 5.899 126.195 120.570 -0.456 0.000 2.315 363 I HA 0.220 4.097 4.170 -0.487 0.000 0.291 363 I C -0.885 175.017 176.117 -0.360 0.000 1.006 363 I CA -0.550 60.581 61.300 -0.281 0.000 1.265 363 I CB 0.457 38.393 38.000 -0.108 0.000 1.387 363 I HN 0.599 nan 8.210 nan 0.000 0.475 364 Y N 4.536 124.814 120.300 -0.037 0.000 2.565 364 Y HA 0.401 4.658 4.550 -0.488 0.000 0.325 364 Y C 0.650 176.537 175.900 -0.022 0.000 1.221 364 Y CA -0.735 57.345 58.100 -0.033 0.000 1.316 364 Y CB 0.773 39.207 38.460 -0.044 0.000 1.404 364 Y HN 0.408 nan 8.280 nan 0.000 0.527 365 E N 1.022 121.326 120.200 0.172 0.000 2.227 365 E HA 0.367 4.424 4.350 -0.487 0.000 0.268 365 E C -2.558 174.067 176.600 0.041 0.000 0.990 365 E CA -2.048 54.402 56.400 0.083 0.000 0.856 365 E CB 0.764 30.506 29.700 0.069 0.000 1.159 365 E HN 0.296 nan 8.360 nan 0.000 0.401 366 P HA 0.178 nan 4.420 nan 0.000 0.278 366 P C -0.912 176.428 177.300 0.066 0.000 1.238 366 P CA -0.332 62.797 63.100 0.049 0.000 0.794 366 P CB 0.474 32.202 31.700 0.047 0.000 0.955 367 N N 0.552 119.306 118.700 0.091 0.000 2.416 367 N HA 0.673 5.121 4.740 -0.487 0.000 0.276 367 N C -1.474 174.127 175.510 0.152 0.000 1.261 367 N CA -0.866 52.216 53.050 0.053 0.000 0.790 367 N CB 1.407 39.893 38.487 -0.002 0.000 1.554 367 N HN 0.475 nan 8.380 nan 0.000 0.481 368 Y N -2.772 117.545 120.300 0.029 0.000 2.670 368 Y HA 0.851 5.109 4.550 -0.485 0.000 0.334 368 Y C 0.470 176.384 175.900 0.023 0.000 1.185 368 Y CA -0.518 57.599 58.100 0.029 0.000 1.053 368 Y CB 0.676 39.157 38.460 0.035 0.000 1.298 368 Y HN 1.122 nan 8.280 nan 0.000 0.459 369 G N 0.486 109.416 108.800 0.217 0.000 2.508 369 G HA2 0.055 3.723 3.960 -0.487 0.000 0.220 369 G HA3 0.055 3.723 3.960 -0.487 0.000 0.220 369 G C -1.003 173.928 174.900 0.052 0.000 1.287 369 G CA -0.390 44.773 45.100 0.105 0.000 0.916 369 G HN 1.302 nan 8.290 nan 0.000 0.574 370 S N -0.793 114.916 115.700 0.016 0.000 2.566 370 S HA 0.587 4.765 4.470 -0.487 0.000 0.324 370 S C -0.085 174.505 174.600 -0.016 0.000 1.081 370 S CA -0.030 58.173 58.200 0.006 0.000 1.105 370 S CB 0.001 63.203 63.200 0.003 0.000 0.981 370 S HN 1.084 nan 8.310 nan 0.000 0.464 371 c N 6.752 125.346 118.600 -0.011 0.000 2.376 371 c HA 0.668 4.945 4.570 -0.487 0.000 0.335 371 c C -2.041 172.046 174.090 -0.006 0.000 1.229 371 c CA -1.307 55.012 56.329 -0.016 0.000 1.867 371 c CB 0.854 43.357 42.510 -0.013 0.000 2.319 371 c HN 0.682 nan 8.230 nan 0.000 0.515 372 P HA 0.226 nan 4.420 nan 0.000 0.272 372 P C -1.037 176.309 177.300 0.076 0.000 1.230 372 P CA -0.031 63.074 63.100 0.008 0.000 0.788 372 P CB 0.448 32.166 31.700 0.031 0.000 0.949 373 Q N 0.201 120.078 119.800 0.130 0.000 2.266 373 Q HA 0.365 4.413 4.340 -0.487 0.000 0.261 373 Q C -0.370 175.895 176.000 0.442 0.000 0.985 373 Q CA -0.822 55.148 55.803 0.278 0.000 0.873 373 Q CB 1.497 30.475 28.738 0.399 0.000 1.306 373 Q HN 0.440 nan 8.270 nan 0.000 0.447 374 F N 2.988 123.058 119.950 0.200 0.000 2.593 374 F HA -0.181 4.054 4.527 -0.487 0.000 0.393 374 F C 0.959 176.906 175.800 0.244 0.000 1.037 374 F CA -0.372 57.724 58.000 0.160 0.000 1.195 374 F CB 0.466 39.468 39.000 0.004 0.000 1.034 374 F HN 0.766 nan 8.300 nan 0.000 0.552 375 Y N 4.000 124.353 120.300 0.088 0.000 2.224 375 Y HA -0.139 4.119 4.550 -0.488 0.000 0.289 375 Y C 1.762 177.485 175.900 -0.295 0.000 1.146 375 Y CA 1.311 59.354 58.100 -0.095 0.000 1.182 375 Y CB -0.649 37.704 38.460 -0.180 0.000 0.983 375 Y HN 0.485 nan 8.280 nan 0.000 0.524 376 K N 0.778 120.218 120.400 -1.600 0.000 2.281 376 K HA -0.099 3.929 4.320 -0.487 0.000 0.203 376 K C 1.905 178.117 176.600 -0.647 0.000 1.046 376 K CA 1.448 56.984 56.287 -1.253 0.000 0.938 376 K CB -0.298 31.282 32.500 -1.532 0.000 0.737 376 K HN 0.444 nan 8.250 nan 0.000 0.458 377 L N -0.493 120.420 121.223 -0.517 0.000 2.191 377 L HA -0.138 3.910 4.340 -0.487 0.000 0.212 377 L C 1.302 177.869 176.870 -0.504 0.000 1.103 377 L CA 1.111 55.707 54.840 -0.407 0.000 0.769 377 L CB -0.122 41.721 42.059 -0.359 0.000 0.908 377 L HN 0.119 nan 8.230 nan 0.000 0.438 378 F N -1.177 118.694 119.950 -0.132 0.000 2.664 378 F HA 0.163 4.397 4.527 -0.488 0.000 0.303 378 F C 0.379 176.114 175.800 -0.108 0.000 1.092 378 F CA -0.636 57.328 58.000 -0.061 0.000 1.305 378 F CB -0.103 38.923 39.000 0.043 0.000 1.054 378 F HN -0.051 nan 8.300 nan 0.000 0.565 379 D N 0.000 120.359 120.400 -0.069 0.000 6.856 379 D HA 0.000 4.348 4.640 -0.487 0.000 0.175 379 D CA 0.000 53.947 54.000 -0.088 0.000 0.868 379 D CB 0.000 40.767 40.800 -0.056 0.000 0.688 379 D HN 0.000 nan 8.370 nan 0.000 0.683