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 1z6l_1_B DATA FIRST_RESID 8 DATA SEQUENCE KKKVIIIGAG IAGLKAASTL HQNGIQDCLV LEARDRVGGR LQTVTGYQGR DATA SEQUENCE KYDIGASWHH DTLTNPLFLE EAQLSLNDGR TRFVFDDDNF IYIDEERGRV DATA SEQUENCE DHDKELLLEI VDNEMSKFAE LEFHXXXXXS DCSFFQLVMK YLLQRRQFLT DATA SEQUENCE NDQIRYLPQL CRYLELWHGL DWKLLSAKDT YFGHQGRNAF ALNYDSVVQR DATA SEQUENCE IAQSFPQNWL KLScEVKSIT REPSKNVTVN cEDGTVYNAD YVIITVPQSV DATA SEQUENCE LNLSVQPXXN LRGRIEFQPP LKPVIQDAFD KIHFGALGKV IFEFEECCWS DATA SEQUENCE NESSKIVTLA NSTNEFVEIV RNAENLDELD SMLERXXXXX XTSVTCWSQP DATA SEQUENCE LFFVNLSKST GVASFMMLMQ APLTNHIESI REDKERLFSF FQPVLNKIMK DATA SEQUENCE CLDSEDVIDG MRPXENIANA NKPVLRNIIV SNWTRDPYSR GAYSACFPXX DATA SEQUENCE XXVDMVVAMS NGQDSRIRFA GEHTIMDGAG CAYGAWESGR REATRISDLL DATA SEQUENCE KL 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.602 176.600 0.003 0.000 0.988 8 K CA 0.000 56.293 56.287 0.010 0.000 0.838 8 K CB 0.000 32.515 32.500 0.025 0.000 1.064 9 K N 1.154 121.546 120.400 -0.014 0.000 2.340 9 K HA 0.400 4.720 4.320 0.001 0.000 0.244 9 K C 0.330 176.891 176.600 -0.064 0.000 0.973 9 K CA -0.641 55.609 56.287 -0.060 0.000 0.828 9 K CB 1.825 34.260 32.500 -0.109 0.000 1.226 9 K HN -0.227 nan 8.250 nan 0.000 0.437 10 K N 0.250 120.599 120.400 -0.085 0.000 1.995 10 K HA 0.101 4.421 4.320 0.001 0.000 0.207 10 K C 0.731 177.325 176.600 -0.010 0.000 1.041 10 K CA 0.969 57.239 56.287 -0.028 0.000 0.942 10 K CB 0.038 32.526 32.500 -0.020 0.000 0.731 10 K HN 0.300 nan 8.250 nan 0.000 0.439 11 V N 1.700 121.548 119.914 -0.109 0.000 2.760 11 V HA 0.374 4.495 4.120 0.001 0.000 0.309 11 V C -0.528 175.436 176.094 -0.217 0.000 1.077 11 V CA -0.753 61.492 62.300 -0.091 0.000 0.910 11 V CB 2.366 34.149 31.823 -0.066 0.000 1.008 11 V HN 0.082 nan 8.190 nan 0.000 0.424 12 I N 5.189 125.657 120.570 -0.170 0.000 2.330 12 I HA 0.465 4.636 4.170 0.001 0.000 0.289 12 I C -0.498 175.508 176.117 -0.184 0.000 1.001 12 I CA -0.327 60.840 61.300 -0.223 0.000 1.193 12 I CB 1.444 39.320 38.000 -0.206 0.000 1.345 12 I HN 0.430 nan 8.210 nan 0.000 0.461 13 I N 7.203 127.651 120.570 -0.204 0.000 2.342 13 I HA 0.331 4.501 4.170 0.001 0.000 0.291 13 I C -0.089 175.948 176.117 -0.134 0.000 1.010 13 I CA -0.420 60.791 61.300 -0.149 0.000 1.308 13 I CB 1.140 39.054 38.000 -0.144 0.000 1.400 13 I HN 0.390 nan 8.210 nan 0.000 0.488 14 I N 6.083 126.591 120.570 -0.103 0.000 2.307 14 I HA 0.552 4.723 4.170 0.001 0.000 0.287 14 I C 0.423 176.509 176.117 -0.051 0.000 1.054 14 I CA -0.194 61.051 61.300 -0.092 0.000 1.218 14 I CB 0.915 38.861 38.000 -0.090 0.000 1.398 14 I HN 0.843 nan 8.210 nan 0.000 0.475 15 G N 4.147 112.916 108.800 -0.051 0.000 2.931 15 G HA2 0.146 4.107 3.960 0.001 0.000 0.675 15 G HA3 0.146 4.107 3.960 0.001 0.000 0.675 15 G C -0.288 174.618 174.900 0.010 0.000 1.339 15 G CA -0.326 44.763 45.100 -0.017 0.000 0.866 15 G HN 0.762 nan 8.290 nan 0.000 0.616 16 A N 1.311 124.150 122.820 0.032 0.000 2.460 16 A HA 0.729 5.049 4.320 0.001 0.000 0.258 16 A C 1.616 179.258 177.584 0.098 0.000 1.300 16 A CA 1.282 53.363 52.037 0.074 0.000 0.913 16 A CB -0.250 18.804 19.000 0.090 0.000 1.031 16 A HN 2.176 nan 8.150 nan 0.000 0.512 17 G N -0.645 108.207 108.800 0.086 0.000 2.647 17 G HA2 0.239 4.200 3.960 0.001 0.000 0.271 17 G HA3 0.239 4.200 3.960 0.001 0.000 0.271 17 G C 1.011 175.983 174.900 0.119 0.000 1.300 17 G CA -0.003 45.156 45.100 0.097 0.000 0.997 17 G HN 0.349 nan 8.290 nan 0.000 0.533 18 I N -0.118 120.530 120.570 0.130 0.000 2.493 18 I HA -0.099 4.072 4.170 0.001 0.000 0.254 18 I C 2.767 178.993 176.117 0.182 0.000 1.160 18 I CA 1.464 62.878 61.300 0.191 0.000 1.445 18 I CB -0.058 38.078 38.000 0.228 0.000 1.086 18 I HN 0.487 nan 8.210 nan 0.000 0.433 19 A N 0.648 123.549 122.820 0.134 0.000 1.845 19 A HA -0.123 4.198 4.320 0.001 0.000 0.215 19 A C 2.383 179.994 177.584 0.045 0.000 1.195 19 A CA 1.707 53.798 52.037 0.090 0.000 0.616 19 A CB -1.658 17.397 19.000 0.091 0.000 0.832 19 A HN 0.464 nan 8.150 nan 0.000 0.443 20 G N -0.111 108.718 108.800 0.047 0.000 2.476 20 G HA2 -0.225 3.735 3.960 0.001 0.000 0.218 20 G HA3 -0.225 3.735 3.960 0.001 0.000 0.218 20 G C 1.563 176.454 174.900 -0.014 0.000 1.164 20 G CA 1.171 46.274 45.100 0.006 0.000 0.768 20 G HN 0.425 nan 8.290 nan 0.000 0.560 21 L N -0.232 121.027 121.223 0.060 0.000 2.042 21 L HA -0.091 4.249 4.340 0.001 0.000 0.210 21 L C 2.941 179.849 176.870 0.062 0.000 1.076 21 L CA 1.268 56.172 54.840 0.108 0.000 0.749 21 L CB -0.488 41.723 42.059 0.252 0.000 0.893 21 L HN 0.113 nan 8.230 nan 0.000 0.432 22 K N 0.794 121.232 120.400 0.064 0.000 2.009 22 K HA -0.170 4.150 4.320 0.001 0.000 0.210 22 K C 2.134 178.673 176.600 -0.102 0.000 1.049 22 K CA 1.855 58.120 56.287 -0.037 0.000 0.929 22 K CB -0.519 31.848 32.500 -0.222 0.000 0.714 22 K HN 0.253 nan 8.250 nan 0.000 0.440 23 A N 0.925 123.681 122.820 -0.108 0.000 1.903 23 A HA -0.214 4.106 4.320 0.001 0.000 0.219 23 A C 2.411 179.937 177.584 -0.096 0.000 1.191 23 A CA 2.896 54.868 52.037 -0.108 0.000 0.638 23 A CB -0.946 17.996 19.000 -0.096 0.000 0.823 23 A HN 0.433 nan 8.150 nan 0.000 0.451 24 A N -0.973 121.740 122.820 -0.179 0.000 1.858 24 A HA -0.135 4.186 4.320 0.001 0.000 0.216 24 A C 2.498 179.988 177.584 -0.157 0.000 1.190 24 A CA 2.372 54.255 52.037 -0.256 0.000 0.617 24 A CB -1.240 17.170 19.000 -0.984 0.000 0.827 24 A HN 0.696 nan 8.150 nan 0.000 0.443 25 S N -1.133 114.503 115.700 -0.107 0.000 2.392 25 S HA -0.196 4.274 4.470 0.001 0.000 0.232 25 S C 2.051 176.722 174.600 0.118 0.000 1.041 25 S CA 2.458 60.763 58.200 0.175 0.000 1.026 25 S CB -0.645 62.691 63.200 0.226 0.000 0.845 25 S HN 0.648 nan 8.310 nan 0.000 0.465 26 T N 2.946 117.516 114.554 0.027 0.000 2.668 26 T HA 0.054 4.405 4.350 0.001 0.000 0.262 26 T C 1.770 176.495 174.700 0.043 0.000 1.045 26 T CA 1.464 63.565 62.100 0.001 0.000 1.152 26 T CB -0.504 68.321 68.868 -0.071 0.000 0.864 26 T HN 0.335 nan 8.240 nan 0.000 0.419 27 L N 0.432 121.701 121.223 0.076 0.000 1.976 27 L HA -0.264 4.076 4.340 0.001 0.000 0.223 27 L C 2.574 179.558 176.870 0.190 0.000 1.081 27 L CA 2.321 57.245 54.840 0.141 0.000 0.784 27 L CB -0.956 41.246 42.059 0.237 0.000 0.896 27 L HN 0.390 nan 8.230 nan 0.000 0.438 28 H N 0.077 119.229 119.070 0.136 0.000 2.353 28 H HA -0.258 4.298 4.556 0.001 0.000 0.298 28 H C 2.276 177.619 175.328 0.025 0.000 1.103 28 H CA 2.098 58.163 56.048 0.027 0.000 1.293 28 H CB -0.109 29.577 29.762 -0.126 0.000 1.372 28 H HN 0.307 nan 8.280 nan 0.000 0.501 29 Q N -0.467 119.317 119.800 -0.026 0.000 2.439 29 Q HA -0.087 4.253 4.340 0.001 0.000 0.211 29 Q C 0.215 176.163 176.000 -0.088 0.000 0.978 29 Q CA 0.968 56.723 55.803 -0.080 0.000 0.897 29 Q CB 0.183 28.925 28.738 0.007 0.000 0.956 29 Q HN 0.460 nan 8.270 nan 0.000 0.483 30 N N -1.084 117.580 118.700 -0.060 0.000 2.389 30 N HA 0.167 4.908 4.740 0.001 0.000 0.260 30 N C 0.327 175.814 175.510 -0.039 0.000 1.191 30 N CA 0.672 53.697 53.050 -0.041 0.000 0.885 30 N CB 0.943 39.418 38.487 -0.020 0.000 1.162 30 N HN 0.309 nan 8.380 nan 0.000 0.512 31 G N 0.602 109.344 108.800 -0.097 0.000 2.494 31 G HA2 -0.351 3.610 3.960 0.001 0.000 0.252 31 G HA3 -0.351 3.610 3.960 0.001 0.000 0.252 31 G C 0.426 175.348 174.900 0.038 0.000 1.025 31 G CA 0.272 45.333 45.100 -0.065 0.000 0.638 31 G HN 0.351 nan 8.290 nan 0.000 0.544 32 I N 1.406 122.020 120.570 0.074 0.000 3.153 32 I HA -0.045 4.125 4.170 0.001 0.000 0.330 32 I C 0.964 177.250 176.117 0.281 0.000 1.198 32 I CA 1.398 62.783 61.300 0.141 0.000 1.475 32 I CB -0.387 37.694 38.000 0.136 0.000 1.295 32 I HN 0.514 nan 8.210 nan 0.000 0.540 33 Q N 2.966 122.920 119.800 0.256 0.000 2.633 33 Q HA 0.341 4.681 4.340 0.001 0.000 0.292 33 Q C -0.938 175.214 176.000 0.253 0.000 1.089 33 Q CA -0.978 55.051 55.803 0.377 0.000 0.811 33 Q CB 1.234 30.122 28.738 0.250 0.000 1.472 33 Q HN 0.524 nan 8.270 nan 0.000 0.464 34 D N 0.116 120.686 120.400 0.283 0.000 3.038 34 D HA -0.153 4.488 4.640 0.001 0.000 0.229 34 D C -1.371 174.702 176.300 -0.378 0.000 1.182 34 D CA 0.571 54.577 54.000 0.010 0.000 0.852 34 D CB -1.210 39.604 40.800 0.023 0.000 0.932 34 D HN 0.395 nan 8.370 nan 0.000 0.406 35 C N 0.837 119.454 119.300 -1.138 0.000 3.080 35 C HA 0.832 5.292 4.460 0.001 0.000 0.307 35 C C 0.116 174.208 174.990 -1.496 0.000 1.311 35 C CA -0.886 57.272 59.018 -1.433 0.000 1.533 35 C CB 1.934 28.550 27.740 -1.873 0.000 1.970 35 C HN 0.456 nan 8.230 nan 0.000 0.467 36 L N 1.196 121.938 121.223 -0.801 0.000 2.393 36 L HA 0.774 5.115 4.340 0.001 0.000 0.260 36 L C -1.196 175.494 176.870 -0.301 0.000 1.002 36 L CA -0.713 53.849 54.840 -0.463 0.000 0.818 36 L CB 2.036 43.831 42.059 -0.440 0.000 1.369 36 L HN 0.384 nan 8.230 nan 0.000 0.412 37 V N 3.041 122.873 119.914 -0.137 0.000 2.376 37 V HA 0.402 4.522 4.120 0.001 0.000 0.287 37 V C -0.212 175.825 176.094 -0.095 0.000 1.015 37 V CA -0.425 61.823 62.300 -0.087 0.000 0.834 37 V CB 1.522 33.363 31.823 0.029 0.000 1.001 37 V HN 0.465 nan 8.190 nan 0.000 0.428 38 L N 3.990 125.128 121.223 -0.142 0.000 2.262 38 L HA 0.635 4.976 4.340 0.001 0.000 0.288 38 L C -0.088 176.723 176.870 -0.098 0.000 1.035 38 L CA -0.258 54.499 54.840 -0.138 0.000 0.820 38 L CB 1.318 43.263 42.059 -0.190 0.000 1.204 38 L HN 0.611 nan 8.230 nan 0.000 0.424 39 E N 2.160 122.316 120.200 -0.073 0.000 2.171 39 E HA 0.475 4.825 4.350 0.001 0.000 0.271 39 E C 0.395 176.910 176.600 -0.143 0.000 0.916 39 E CA -0.307 56.039 56.400 -0.090 0.000 0.774 39 E CB 2.086 31.767 29.700 -0.031 0.000 1.128 39 E HN 0.545 nan 8.360 nan 0.000 0.403 40 A N 5.456 128.099 122.820 -0.294 0.000 1.969 40 A HA -0.028 4.293 4.320 0.001 0.000 0.218 40 A C 1.082 178.495 177.584 -0.286 0.000 1.169 40 A CA 0.967 52.726 52.037 -0.463 0.000 0.635 40 A CB -0.138 18.119 19.000 -1.239 0.000 0.810 40 A HN 0.576 nan 8.150 nan 0.000 0.445 41 R N -0.081 120.302 120.500 -0.196 0.000 2.541 41 R HA 0.272 4.613 4.340 0.001 0.000 0.263 41 R C -0.369 175.949 176.300 0.028 0.000 1.112 41 R CA 0.130 56.239 56.100 0.015 0.000 1.170 41 R CB 0.179 30.531 30.300 0.085 0.000 1.167 41 R HN 0.421 nan 8.270 nan 0.000 0.582 42 D N 0.254 120.689 120.400 0.058 0.000 2.434 42 D HA 0.045 4.685 4.640 0.001 0.000 0.232 42 D C -0.268 176.062 176.300 0.050 0.000 1.166 42 D CA -0.274 53.754 54.000 0.048 0.000 0.830 42 D CB -0.110 40.718 40.800 0.047 0.000 0.960 42 D HN 0.430 nan 8.370 nan 0.000 0.497 43 R N -1.556 118.978 120.500 0.057 0.000 2.664 43 R HA 0.543 4.884 4.340 0.001 0.000 0.266 43 R C -0.962 175.384 176.300 0.077 0.000 1.046 43 R CA -1.124 55.016 56.100 0.065 0.000 0.885 43 R CB 0.873 31.216 30.300 0.073 0.000 1.254 43 R HN -0.082 nan 8.270 nan 0.000 0.465 44 V N -0.946 119.018 119.914 0.085 0.000 3.262 44 V HA 0.893 5.013 4.120 0.001 0.000 0.313 44 V C 0.956 177.117 176.094 0.112 0.000 1.070 44 V CA 0.478 62.839 62.300 0.101 0.000 1.049 44 V CB 0.860 32.755 31.823 0.120 0.000 1.157 44 V HN 1.268 nan 8.190 nan 0.000 0.454 45 G N -0.963 107.908 108.800 0.119 0.000 2.278 45 G HA2 0.121 4.081 3.960 0.001 0.000 0.210 45 G HA3 0.121 4.081 3.960 0.001 0.000 0.210 45 G C 1.636 176.601 174.900 0.109 0.000 1.000 45 G CA 0.684 45.854 45.100 0.117 0.000 0.635 45 G HN 2.623 nan 8.290 nan 0.000 0.495 46 G N 0.582 109.460 108.800 0.130 0.000 2.685 46 G HA2 -0.398 3.563 3.960 0.001 0.000 0.329 46 G HA3 -0.398 3.563 3.960 0.001 0.000 0.329 46 G C 0.781 175.769 174.900 0.147 0.000 1.271 46 G CA 1.347 46.531 45.100 0.139 0.000 1.003 46 G HN 1.191 nan 8.290 nan 0.000 0.549 47 R N 0.124 120.602 120.500 -0.037 0.000 2.340 47 R HA 0.333 4.673 4.340 0.001 0.000 0.215 47 R C 0.171 176.301 176.300 -0.283 0.000 1.017 47 R CA 0.044 55.908 56.100 -0.392 0.000 1.111 47 R CB -0.369 29.631 30.300 -0.500 0.000 1.049 47 R HN 0.302 nan 8.270 nan 0.000 0.490 48 L N 1.174 122.360 121.223 -0.062 0.000 2.318 48 L HA 0.362 4.702 4.340 0.001 0.000 0.277 48 L C -0.648 176.284 176.870 0.103 0.000 1.008 48 L CA -0.418 54.381 54.840 -0.069 0.000 0.846 48 L CB 1.577 43.576 42.059 -0.100 0.000 1.220 48 L HN 0.084 nan 8.230 nan 0.000 0.423 49 Q N 2.495 122.398 119.800 0.171 0.000 2.268 49 Q HA 0.442 4.782 4.340 0.001 0.000 0.266 49 Q C -1.523 174.575 176.000 0.163 0.000 1.006 49 Q CA -0.504 55.419 55.803 0.200 0.000 0.824 49 Q CB 2.641 31.554 28.738 0.291 0.000 1.306 49 Q HN 0.509 nan 8.270 nan 0.000 0.424 50 T N 2.986 117.614 114.554 0.122 0.000 2.794 50 T HA 0.568 4.918 4.350 0.001 0.000 0.280 50 T C -0.109 174.653 174.700 0.104 0.000 0.987 50 T CA -0.500 61.664 62.100 0.107 0.000 0.993 50 T CB 1.168 70.078 68.868 0.070 0.000 0.939 50 T HN 0.497 nan 8.240 nan 0.000 0.449 51 V N 0.644 120.638 119.914 0.133 0.000 3.103 51 V HA 0.894 5.014 4.120 0.001 0.000 0.318 51 V C -0.344 175.835 176.094 0.143 0.000 1.114 51 V CA -0.905 61.466 62.300 0.119 0.000 1.020 51 V CB 1.948 33.835 31.823 0.107 0.000 1.085 51 V HN 0.808 nan 8.190 nan 0.000 0.446 52 T N 1.522 116.145 114.554 0.115 0.000 2.807 52 T HA 0.791 5.142 4.350 0.001 0.000 0.279 52 T C 0.326 175.120 174.700 0.157 0.000 0.993 52 T CA 0.249 62.415 62.100 0.110 0.000 0.970 52 T CB 1.264 70.162 68.868 0.050 0.000 0.950 52 T HN 1.295 nan 8.240 nan 0.000 0.441 53 G N 0.650 109.596 108.800 0.244 0.000 3.175 53 G HA2 0.451 4.412 3.960 0.001 0.000 0.153 53 G HA3 0.451 4.412 3.960 0.001 0.000 0.153 53 G C -0.864 174.183 174.900 0.244 0.000 1.216 53 G CA -0.707 44.551 45.100 0.263 0.000 0.943 53 G HN 0.607 nan 8.290 nan 0.000 0.611 54 Y N 1.382 121.750 120.300 0.113 0.000 2.810 54 Y HA 0.064 4.614 4.550 0.001 0.000 0.332 54 Y C 1.480 177.416 175.900 0.061 0.000 1.243 54 Y CA 1.309 59.451 58.100 0.070 0.000 1.537 54 Y CB 0.036 38.534 38.460 0.064 0.000 1.265 54 Y HN 0.732 nan 8.280 nan 0.000 0.572 55 Q N 3.307 122.919 119.800 -0.313 0.000 2.439 55 Q HA -0.277 4.063 4.340 0.001 0.000 0.247 55 Q C 0.981 176.899 176.000 -0.136 0.000 0.899 55 Q CA 1.011 56.614 55.803 -0.333 0.000 1.201 55 Q CB -1.875 26.558 28.738 -0.509 0.000 1.608 55 Q HN 1.387 nan 8.270 nan 0.000 0.563 56 G N 0.023 108.790 108.800 -0.054 0.000 2.136 56 G HA2 -0.344 3.616 3.960 0.001 0.000 0.242 56 G HA3 -0.344 3.616 3.960 0.001 0.000 0.242 56 G C -0.006 174.858 174.900 -0.061 0.000 0.989 56 G CA 0.222 45.298 45.100 -0.040 0.000 0.682 56 G HN 0.310 nan 8.290 nan 0.000 0.522 57 R N 0.119 120.589 120.500 -0.051 0.000 2.590 57 R HA 0.444 4.784 4.340 0.001 0.000 0.274 57 R C 0.404 176.489 176.300 -0.359 0.000 1.061 57 R CA 0.282 56.264 56.100 -0.197 0.000 1.081 57 R CB 0.593 30.818 30.300 -0.125 0.000 0.984 57 R HN 0.254 nan 8.270 nan 0.000 0.448 58 K N 2.038 122.142 120.400 -0.493 0.000 2.156 58 K HA 0.411 4.731 4.320 0.001 0.000 0.254 58 K C -1.309 174.910 176.600 -0.636 0.000 0.950 58 K CA -0.486 55.576 56.287 -0.375 0.000 0.849 58 K CB 1.324 33.726 32.500 -0.163 0.000 1.100 58 K HN 0.390 nan 8.250 nan 0.000 0.434 59 Y N -0.117 120.219 120.300 0.060 0.000 2.513 59 Y HA 0.172 4.722 4.550 0.001 0.000 0.340 59 Y C -0.771 175.157 175.900 0.047 0.000 1.055 59 Y CA -1.202 56.940 58.100 0.070 0.000 1.020 59 Y CB 1.654 40.161 38.460 0.078 0.000 1.301 59 Y HN 0.442 nan 8.280 nan 0.000 0.453 60 D N 2.702 123.208 120.400 0.176 0.000 2.365 60 D HA 0.126 4.767 4.640 0.001 0.000 0.237 60 D C 0.626 177.019 176.300 0.155 0.000 1.190 60 D CA 0.183 54.245 54.000 0.103 0.000 0.867 60 D CB 1.734 42.519 40.800 -0.026 0.000 1.050 60 D HN 0.553 nan 8.370 nan 0.000 0.491 61 I N 2.543 123.238 120.570 0.208 0.000 2.761 61 I HA 0.016 4.187 4.170 0.001 0.000 0.261 61 I C 1.448 177.827 176.117 0.437 0.000 1.198 61 I CA 0.754 62.208 61.300 0.256 0.000 1.482 61 I CB 0.149 38.262 38.000 0.188 0.000 1.100 61 I HN 0.398 nan 8.210 nan 0.000 0.445 62 G N -0.722 108.295 108.800 0.361 0.000 3.441 62 G HA2 0.549 4.510 3.960 0.001 0.000 0.195 62 G HA3 0.549 4.510 3.960 0.001 0.000 0.195 62 G C -0.083 174.798 174.900 -0.033 0.000 1.633 62 G CA 0.106 45.292 45.100 0.143 0.000 0.895 62 G HN 0.389 nan 8.290 nan 0.000 0.654 63 A N -0.541 122.145 122.820 -0.223 0.000 2.483 63 A HA 0.468 4.788 4.320 0.001 0.000 0.238 63 A C 1.100 178.496 177.584 -0.314 0.000 1.070 63 A CA 1.048 52.898 52.037 -0.310 0.000 0.770 63 A CB 0.362 18.989 19.000 -0.621 0.000 1.008 63 A HN 1.561 nan 8.150 nan 0.000 0.497 64 S N 0.130 115.722 115.700 -0.180 0.000 2.800 64 S HA 0.227 4.697 4.470 0.001 0.000 0.266 64 S C -0.338 173.953 174.600 -0.515 0.000 1.029 64 S CA -0.412 57.574 58.200 -0.356 0.000 1.302 64 S CB 0.173 62.974 63.200 -0.666 0.000 1.212 64 S HN 0.709 nan 8.310 nan 0.000 0.683 65 W N 1.862 123.116 121.300 -0.076 0.000 2.864 65 W HA 0.500 5.160 4.660 0.001 0.000 0.343 65 W C -0.723 175.512 176.519 -0.473 0.000 1.109 65 W CA -0.580 56.583 57.345 -0.302 0.000 1.192 65 W CB 1.130 30.357 29.460 -0.387 0.000 1.426 65 W HN 0.211 nan 8.180 nan 0.000 0.529 66 H N 2.468 121.480 119.070 -0.097 0.000 2.640 66 H HA 0.220 4.777 4.556 0.001 0.000 0.297 66 H C 0.259 175.402 175.328 -0.307 0.000 1.073 66 H CA 0.084 56.023 56.048 -0.180 0.000 1.305 66 H CB 0.637 30.214 29.762 -0.308 0.000 1.404 66 H HN 0.193 nan 8.280 nan 0.000 0.459 67 H N 1.920 121.075 119.070 0.142 0.000 2.495 67 H HA 0.029 4.586 4.556 0.001 0.000 0.350 67 H C 0.362 175.674 175.328 -0.027 0.000 1.202 67 H CA -0.344 55.731 56.048 0.046 0.000 1.322 67 H CB 0.945 30.746 29.762 0.066 0.000 1.544 67 H HN 0.647 nan 8.280 nan 0.000 0.565 68 D N 0.566 121.016 120.400 0.083 0.000 2.697 68 D HA -0.164 4.476 4.640 0.001 0.000 0.235 68 D C 1.209 177.401 176.300 -0.179 0.000 1.167 68 D CA 1.065 55.049 54.000 -0.027 0.000 0.656 68 D CB -1.712 39.093 40.800 0.010 0.000 1.025 68 D HN 0.790 nan 8.370 nan 0.000 0.419 69 T N -2.912 111.471 114.554 -0.285 0.000 2.918 69 T HA -0.153 4.197 4.350 0.001 0.000 0.271 69 T C 2.095 176.719 174.700 -0.127 0.000 1.104 69 T CA 0.610 62.416 62.100 -0.489 0.000 1.114 69 T CB -0.029 68.284 68.868 -0.925 0.000 0.855 69 T HN 0.430 nan 8.240 nan 0.000 0.518 70 L N 1.360 122.543 121.223 -0.067 0.000 2.093 70 L HA -0.026 4.314 4.340 0.001 0.000 0.208 70 L C 3.059 179.921 176.870 -0.014 0.000 1.085 70 L CA 1.777 56.612 54.840 -0.008 0.000 0.755 70 L CB -0.463 41.595 42.059 -0.001 0.000 0.904 70 L HN 0.615 nan 8.230 nan 0.000 0.435 71 T N -6.167 108.349 114.554 -0.063 0.000 2.954 71 T HA -0.007 4.343 4.350 0.001 0.000 0.252 71 T C 0.807 175.405 174.700 -0.170 0.000 0.983 71 T CA -0.372 61.684 62.100 -0.073 0.000 0.941 71 T CB -0.535 68.305 68.868 -0.046 0.000 1.141 71 T HN 0.157 nan 8.240 nan 0.000 0.500 72 N N 4.403 122.901 118.700 -0.336 0.000 2.355 72 N HA 0.003 4.743 4.740 0.001 0.000 0.282 72 N C -1.165 174.171 175.510 -0.291 0.000 1.374 72 N CA -0.779 51.898 53.050 -0.621 0.000 0.929 72 N CB 0.876 38.999 38.487 -0.606 0.000 1.278 72 N HN 0.234 nan 8.380 nan 0.000 0.491 73 P HA -0.159 nan 4.420 nan 0.000 0.223 73 P C 1.257 178.324 177.300 -0.389 0.000 1.151 73 P CA 0.570 63.602 63.100 -0.113 0.000 0.787 73 P CB 0.236 32.032 31.700 0.160 0.000 0.788 74 L N -0.877 119.962 121.223 -0.641 0.000 2.095 74 L HA 0.037 4.377 4.340 0.001 0.000 0.204 74 L C 2.433 178.989 176.870 -0.523 0.000 1.080 74 L CA 1.437 55.680 54.840 -0.995 0.000 0.759 74 L CB -1.723 39.803 42.059 -0.889 0.000 0.914 74 L HN -0.208 nan 8.230 nan 0.000 0.439 75 F N -0.012 119.622 119.950 -0.527 0.000 2.134 75 F HA -0.203 4.325 4.527 0.001 0.000 0.299 75 F C 2.003 177.504 175.800 -0.498 0.000 1.097 75 F CA 1.836 59.400 58.000 -0.726 0.000 1.264 75 F CB -0.399 38.190 39.000 -0.684 0.000 1.001 75 F HN 0.077 nan 8.300 nan 0.000 0.479 76 L N 0.184 121.144 121.223 -0.438 0.000 2.042 76 L HA -0.233 4.107 4.340 0.001 0.000 0.210 76 L C 2.570 179.236 176.870 -0.340 0.000 1.076 76 L CA 2.002 56.619 54.840 -0.371 0.000 0.749 76 L CB -0.919 41.053 42.059 -0.144 0.000 0.893 76 L HN 0.262 nan 8.230 nan 0.000 0.432 77 E N 0.079 120.107 120.200 -0.287 0.000 2.051 77 E HA -0.239 4.111 4.350 0.001 0.000 0.192 77 E C 2.070 178.543 176.600 -0.211 0.000 0.991 77 E CA 1.154 57.444 56.400 -0.183 0.000 0.799 77 E CB 0.140 29.761 29.700 -0.132 0.000 0.748 77 E HN 0.377 nan 8.360 nan 0.000 0.449 78 E N 0.250 120.259 120.200 -0.318 0.000 2.077 78 E HA -0.198 4.152 4.350 0.001 0.000 0.193 78 E C 1.985 178.483 176.600 -0.170 0.000 0.989 78 E CA 1.036 57.296 56.400 -0.233 0.000 0.800 78 E CB -0.307 29.216 29.700 -0.295 0.000 0.746 78 E HN 0.385 nan 8.360 nan 0.000 0.452 79 A N 1.391 123.984 122.820 -0.378 0.000 1.902 79 A HA -0.214 4.107 4.320 0.001 0.000 0.217 79 A C 2.162 179.684 177.584 -0.103 0.000 1.181 79 A CA 1.298 53.203 52.037 -0.220 0.000 0.623 79 A CB -0.330 18.363 19.000 -0.513 0.000 0.818 79 A HN 0.101 nan 8.150 nan 0.000 0.443 80 Q N -0.238 119.484 119.800 -0.129 0.000 2.050 80 Q HA -0.085 4.256 4.340 0.001 0.000 0.202 80 Q C 2.210 178.177 176.000 -0.055 0.000 0.980 80 Q CA 1.304 57.063 55.803 -0.073 0.000 0.840 80 Q CB -0.531 28.169 28.738 -0.063 0.000 0.898 80 Q HN 0.736 nan 8.270 nan 0.000 0.424 81 L N 0.201 121.387 121.223 -0.061 0.000 2.081 81 L HA -0.220 4.121 4.340 0.001 0.000 0.212 81 L C 2.363 179.200 176.870 -0.055 0.000 1.080 81 L CA 1.210 56.020 54.840 -0.049 0.000 0.754 81 L CB -0.413 41.617 42.059 -0.047 0.000 0.893 81 L HN 0.103 nan 8.230 nan 0.000 0.433 82 S N -0.514 115.146 115.700 -0.066 0.000 2.414 82 S HA -0.074 4.397 4.470 0.001 0.000 0.227 82 S C 1.782 176.343 174.600 -0.066 0.000 1.022 82 S CA 0.576 58.721 58.200 -0.092 0.000 0.958 82 S CB -0.076 63.027 63.200 -0.161 0.000 0.797 82 S HN 0.176 nan 8.310 nan 0.000 0.493 83 L N 2.250 123.448 121.223 -0.042 0.000 2.156 83 L HA 0.058 4.399 4.340 0.001 0.000 0.208 83 L C 1.622 178.474 176.870 -0.030 0.000 1.095 83 L CA 1.431 56.254 54.840 -0.029 0.000 0.770 83 L CB -0.756 41.291 42.059 -0.020 0.000 0.914 83 L HN 0.140 nan 8.230 nan 0.000 0.439 84 N N -0.118 118.562 118.700 -0.033 0.000 2.173 84 N HA -0.112 4.628 4.740 0.001 0.000 0.184 84 N C 1.034 176.526 175.510 -0.031 0.000 1.025 84 N CA 1.484 54.517 53.050 -0.028 0.000 0.852 84 N CB -0.125 38.347 38.487 -0.026 0.000 0.998 84 N HN 0.557 nan 8.380 nan 0.000 0.427 85 D N -2.456 117.920 120.400 -0.039 0.000 2.433 85 D HA 0.252 4.893 4.640 0.001 0.000 0.211 85 D C 1.139 177.410 176.300 -0.048 0.000 1.114 85 D CA 0.366 54.342 54.000 -0.040 0.000 0.837 85 D CB -0.085 40.691 40.800 -0.040 0.000 0.984 85 D HN 0.156 nan 8.370 nan 0.000 0.505 86 G N 0.644 109.411 108.800 -0.056 0.000 2.220 86 G HA2 -0.397 3.563 3.960 0.001 0.000 0.269 86 G HA3 -0.397 3.563 3.960 0.001 0.000 0.269 86 G C 0.375 175.225 174.900 -0.084 0.000 0.977 86 G CA 0.134 45.196 45.100 -0.063 0.000 0.634 86 G HN 0.447 nan 8.290 nan 0.000 0.539 87 R N 0.970 121.416 120.500 -0.089 0.000 2.489 87 R HA 0.369 4.709 4.340 0.001 0.000 0.287 87 R C 0.156 176.359 176.300 -0.162 0.000 1.053 87 R CA 0.443 56.480 56.100 -0.103 0.000 1.036 87 R CB 0.361 30.608 30.300 -0.088 0.000 0.966 87 R HN 0.142 nan 8.270 nan 0.000 0.432 88 T N 3.796 118.251 114.554 -0.165 0.000 2.761 88 T HA 0.138 4.488 4.350 0.001 0.000 0.296 88 T C 1.112 175.658 174.700 -0.258 0.000 0.934 88 T CA -0.022 61.930 62.100 -0.247 0.000 1.091 88 T CB 0.625 69.394 68.868 -0.166 0.000 0.896 88 T HN 0.478 nan 8.240 nan 0.000 0.515 89 R N 1.850 122.091 120.500 -0.430 0.000 2.373 89 R HA 0.275 4.615 4.340 0.001 0.000 0.221 89 R C -0.374 175.877 176.300 -0.082 0.000 0.893 89 R CA 0.214 56.175 56.100 -0.232 0.000 1.049 89 R CB 0.543 30.770 30.300 -0.121 0.000 1.119 89 R HN 0.669 nan 8.270 nan 0.000 0.535 90 F N -3.394 116.571 119.950 0.025 0.000 2.741 90 F HA 0.568 5.095 4.527 0.001 0.000 0.311 90 F C -1.411 174.463 175.800 0.124 0.000 1.149 90 F CA -1.641 56.398 58.000 0.065 0.000 0.930 90 F CB 1.020 40.091 39.000 0.117 0.000 1.312 90 F HN -0.337 nan 8.300 nan 0.000 0.450 91 V N 1.511 121.685 119.914 0.433 0.000 2.841 91 V HA 0.612 4.732 4.120 0.001 0.000 0.310 91 V C -1.652 174.654 176.094 0.353 0.000 1.090 91 V CA -0.875 61.654 62.300 0.383 0.000 0.930 91 V CB 2.013 33.987 31.823 0.252 0.000 1.014 91 V HN 0.700 nan 8.190 nan 0.000 0.425 92 F N 5.844 125.986 119.950 0.321 0.000 2.464 92 F HA 0.334 4.861 4.527 0.001 0.000 0.353 92 F C 1.203 177.120 175.800 0.195 0.000 1.191 92 F CA -0.283 57.862 58.000 0.241 0.000 1.147 92 F CB 0.784 39.888 39.000 0.174 0.000 1.294 92 F HN 0.756 nan 8.300 nan 0.000 0.583 93 D N 0.046 120.627 120.400 0.301 0.000 2.340 93 D HA -0.024 4.617 4.640 0.001 0.000 0.217 93 D C 0.010 176.419 176.300 0.182 0.000 1.081 93 D CA -0.117 54.021 54.000 0.231 0.000 0.842 93 D CB -0.355 40.573 40.800 0.213 0.000 0.934 93 D HN 0.182 nan 8.370 nan 0.000 0.511 94 D N 0.967 121.478 120.400 0.185 0.000 2.478 94 D HA 0.167 4.808 4.640 0.001 0.000 0.234 94 D C -0.066 176.289 176.300 0.092 0.000 1.154 94 D CA 0.818 54.891 54.000 0.122 0.000 0.874 94 D CB 1.014 41.884 40.800 0.118 0.000 1.198 94 D HN 0.189 nan 8.370 nan 0.000 0.455 95 D N 0.041 120.473 120.400 0.053 0.000 2.677 95 D HA 0.126 4.766 4.640 0.001 0.000 0.298 95 D C -1.103 175.223 176.300 0.044 0.000 1.250 95 D CA -0.572 53.435 54.000 0.013 0.000 0.888 95 D CB 1.228 41.993 40.800 -0.059 0.000 1.397 95 D HN 0.080 nan 8.370 nan 0.000 0.461 96 N N 0.918 119.628 118.700 0.017 0.000 2.442 96 N HA 0.175 4.916 4.740 0.001 0.000 0.265 96 N C -0.279 175.248 175.510 0.028 0.000 1.138 96 N CA 0.031 53.115 53.050 0.057 0.000 0.956 96 N CB 0.071 38.551 38.487 -0.012 0.000 1.067 96 N HN 0.197 nan 8.380 nan 0.000 0.474 97 F N 1.672 121.524 119.950 -0.164 0.000 2.518 97 F HA 0.201 4.728 4.527 0.001 0.000 0.359 97 F C 1.241 176.817 175.800 -0.374 0.000 1.118 97 F CA -0.002 57.808 58.000 -0.317 0.000 1.287 97 F CB 0.473 39.131 39.000 -0.569 0.000 1.132 97 F HN 0.223 nan 8.300 nan 0.000 0.587 98 I N 4.149 124.574 120.570 -0.240 0.000 2.354 98 I HA 0.229 4.399 4.170 0.001 0.000 0.292 98 I C -0.989 174.996 176.117 -0.219 0.000 0.989 98 I CA -0.732 60.472 61.300 -0.160 0.000 1.188 98 I CB 1.173 39.114 38.000 -0.097 0.000 1.342 98 I HN 0.451 nan 8.210 nan 0.000 0.457 99 Y N 6.439 126.810 120.300 0.119 0.000 2.377 99 Y HA 0.595 5.145 4.550 0.001 0.000 0.339 99 Y C 0.014 175.956 175.900 0.069 0.000 1.011 99 Y CA -0.739 57.432 58.100 0.119 0.000 1.093 99 Y CB 1.793 40.319 38.460 0.110 0.000 1.201 99 Y HN 0.292 nan 8.280 nan 0.000 0.455 100 I N 3.095 123.818 120.570 0.255 0.000 2.498 100 I HA 0.270 4.440 4.170 0.001 0.000 0.290 100 I C -1.079 175.174 176.117 0.227 0.000 1.032 100 I CA -0.759 60.649 61.300 0.179 0.000 1.073 100 I CB 1.960 40.052 38.000 0.153 0.000 1.251 100 I HN 0.579 nan 8.210 nan 0.000 0.426 101 D N 5.234 125.687 120.400 0.088 0.000 2.362 101 D HA 0.119 4.759 4.640 0.001 0.000 0.247 101 D C 0.735 176.944 176.300 -0.152 0.000 1.050 101 D CA -0.298 53.709 54.000 0.013 0.000 0.839 101 D CB 2.367 43.080 40.800 -0.145 0.000 1.283 101 D HN 0.746 nan 8.370 nan 0.000 0.477 102 E N 2.680 122.513 120.200 -0.611 0.000 2.086 102 E HA -0.268 4.083 4.350 0.001 0.000 0.205 102 E C 1.004 177.361 176.600 -0.406 0.000 1.027 102 E CA 1.759 57.579 56.400 -0.968 0.000 0.830 102 E CB 0.336 28.953 29.700 -1.805 0.000 0.751 102 E HN 0.572 nan 8.360 nan 0.000 0.456 103 E N -0.180 119.846 120.200 -0.291 0.000 1.998 103 E HA -0.166 4.185 4.350 0.001 0.000 0.195 103 E C 2.340 178.883 176.600 -0.096 0.000 0.994 103 E CA 0.798 57.109 56.400 -0.149 0.000 0.835 103 E CB -0.210 29.448 29.700 -0.070 0.000 0.786 103 E HN 0.108 nan 8.360 nan 0.000 0.467 104 R N 0.230 120.678 120.500 -0.086 0.000 2.120 104 R HA -0.105 4.235 4.340 0.001 0.000 0.234 104 R C 0.993 177.249 176.300 -0.075 0.000 1.123 104 R CA 1.210 57.261 56.100 -0.083 0.000 0.975 104 R CB -0.094 30.120 30.300 -0.144 0.000 0.866 104 R HN 0.346 nan 8.270 nan 0.000 0.446 105 G N 0.310 109.064 108.800 -0.077 0.000 2.578 105 G HA2 -0.299 3.661 3.960 0.001 0.000 0.232 105 G HA3 -0.299 3.661 3.960 0.001 0.000 0.232 105 G C -0.962 173.927 174.900 -0.019 0.000 1.176 105 G CA -0.069 45.015 45.100 -0.027 0.000 0.968 105 G HN 0.369 nan 8.290 nan 0.000 0.583 106 R N 0.522 121.022 120.500 0.000 0.000 2.537 106 R HA 0.397 4.737 4.340 0.001 0.000 0.280 106 R C 1.036 177.337 176.300 0.003 0.000 1.058 106 R CA 0.608 56.723 56.100 0.025 0.000 1.057 106 R CB 0.955 31.278 30.300 0.038 0.000 0.973 106 R HN 1.171 nan 8.270 nan 0.000 0.438 107 V N -1.833 118.104 119.914 0.037 0.000 3.199 107 V HA 0.114 4.234 4.120 0.001 0.000 0.331 107 V C -0.152 176.014 176.094 0.120 0.000 1.446 107 V CA -0.563 61.736 62.300 -0.001 0.000 1.120 107 V CB 0.045 31.769 31.823 -0.164 0.000 1.051 107 V HN 0.710 nan 8.190 nan 0.000 0.495 108 D N -0.097 120.425 120.400 0.204 0.000 2.225 108 D HA 0.243 4.883 4.640 0.001 0.000 0.249 108 D C 0.471 176.928 176.300 0.263 0.000 1.052 108 D CA -0.442 53.737 54.000 0.298 0.000 0.909 108 D CB 1.068 42.039 40.800 0.286 0.000 1.186 108 D HN 0.354 nan 8.370 nan 0.000 0.431 109 H N -0.447 118.701 119.070 0.131 0.000 2.741 109 H HA -0.216 4.341 4.556 0.001 0.000 0.305 109 H C -0.888 174.480 175.328 0.067 0.000 1.169 109 H CA 0.912 57.013 56.048 0.088 0.000 1.144 109 H CB -1.120 28.686 29.762 0.074 0.000 1.397 109 H HN 0.462 nan 8.280 nan 0.000 0.409 110 D N 0.735 121.147 120.400 0.021 0.000 2.312 110 D HA 0.040 4.681 4.640 0.001 0.000 0.252 110 D C 1.372 177.636 176.300 -0.059 0.000 1.150 110 D CA 0.334 54.329 54.000 -0.009 0.000 0.870 110 D CB 0.730 41.545 40.800 0.025 0.000 1.153 110 D HN 0.742 nan 8.370 nan 0.000 0.457 111 K N 2.993 123.358 120.400 -0.059 0.000 2.113 111 K HA -0.197 4.123 4.320 0.001 0.000 0.208 111 K C 0.964 177.550 176.600 -0.022 0.000 1.047 111 K CA 1.412 57.666 56.287 -0.055 0.000 0.928 111 K CB 0.094 32.576 32.500 -0.030 0.000 0.716 111 K HN 0.427 nan 8.250 nan 0.000 0.446 112 E N 0.141 120.340 120.200 -0.000 0.000 2.413 112 E HA 0.135 4.485 4.350 0.001 0.000 0.203 112 E C 1.930 178.550 176.600 0.033 0.000 0.957 112 E CA -0.064 56.346 56.400 0.017 0.000 0.950 112 E CB 0.273 29.987 29.700 0.023 0.000 0.957 112 E HN 0.202 nan 8.360 nan 0.000 0.497 113 L N 0.511 121.756 121.223 0.037 0.000 2.162 113 L HA 0.070 4.410 4.340 0.001 0.000 0.205 113 L C 0.747 177.651 176.870 0.055 0.000 1.086 113 L CA 0.263 55.140 54.840 0.062 0.000 0.778 113 L CB -0.152 41.946 42.059 0.066 0.000 0.928 113 L HN 0.134 nan 8.230 nan 0.000 0.446 114 L N 0.821 122.064 121.223 0.032 0.000 4.060 114 L HA -0.286 4.054 4.340 0.001 0.000 0.467 114 L C 1.299 178.201 176.870 0.053 0.000 1.157 114 L CA -0.155 54.703 54.840 0.031 0.000 0.719 114 L CB -1.454 40.620 42.059 0.024 0.000 1.606 114 L HN 0.349 nan 8.230 nan 0.000 0.822 115 L N -0.618 120.641 121.223 0.059 0.000 2.093 115 L HA -0.184 4.157 4.340 0.001 0.000 0.208 115 L C 2.300 179.197 176.870 0.045 0.000 1.085 115 L CA 1.522 56.390 54.840 0.048 0.000 0.755 115 L CB -0.134 41.934 42.059 0.015 0.000 0.904 115 L HN 0.394 nan 8.230 nan 0.000 0.435 116 E N 0.410 120.654 120.200 0.074 0.000 2.110 116 E HA -0.185 4.166 4.350 0.001 0.000 0.193 116 E C 2.165 178.809 176.600 0.073 0.000 0.988 116 E CA 1.150 57.603 56.400 0.089 0.000 0.804 116 E CB -0.155 29.623 29.700 0.131 0.000 0.745 116 E HN 0.434 nan 8.360 nan 0.000 0.458 117 I N 0.296 120.906 120.570 0.066 0.000 2.202 117 I HA -0.228 3.943 4.170 0.001 0.000 0.242 117 I C 2.199 178.353 176.117 0.062 0.000 1.091 117 I CA 0.935 62.271 61.300 0.060 0.000 1.368 117 I CB -0.423 37.608 38.000 0.052 0.000 1.058 117 I HN 0.072 nan 8.210 nan 0.000 0.410 118 V N -0.873 119.083 119.914 0.070 0.000 2.427 118 V HA -0.269 3.851 4.120 0.001 0.000 0.248 118 V C 2.088 178.198 176.094 0.026 0.000 1.051 118 V CA 2.200 64.554 62.300 0.089 0.000 1.048 118 V CB -1.003 30.893 31.823 0.123 0.000 0.666 118 V HN 0.374 nan 8.190 nan 0.000 0.456 119 D N 1.047 121.460 120.400 0.021 0.000 2.182 119 D HA -0.189 4.451 4.640 0.001 0.000 0.201 119 D C 1.926 178.242 176.300 0.025 0.000 0.986 119 D CA 2.037 56.042 54.000 0.009 0.000 0.847 119 D CB -0.391 40.443 40.800 0.056 0.000 0.942 119 D HN 0.667 nan 8.370 nan 0.000 0.467 120 N N -0.303 118.422 118.700 0.042 0.000 2.058 120 N HA -0.165 4.575 4.740 0.001 0.000 0.191 120 N C 1.737 177.256 175.510 0.015 0.000 1.037 120 N CA 0.905 53.981 53.050 0.044 0.000 0.848 120 N CB -0.109 38.408 38.487 0.051 0.000 1.021 120 N HN 0.261 nan 8.380 nan 0.000 0.422 121 E N 0.768 120.985 120.200 0.029 0.000 2.097 121 E HA -0.238 4.113 4.350 0.001 0.000 0.196 121 E C 2.036 178.625 176.600 -0.019 0.000 1.000 121 E CA 0.976 57.418 56.400 0.069 0.000 0.804 121 E CB 0.063 29.865 29.700 0.170 0.000 0.740 121 E HN 0.242 nan 8.360 nan 0.000 0.454 122 M N 0.487 119.903 119.600 -0.308 0.000 2.106 122 M HA -0.183 4.298 4.480 0.001 0.000 0.259 122 M C 2.522 178.668 176.300 -0.257 0.000 1.068 122 M CA 1.509 56.413 55.300 -0.661 0.000 1.100 122 M CB -0.772 31.451 32.600 -0.628 0.000 1.351 122 M HN 0.135 nan 8.290 nan 0.000 0.404 123 S N -0.050 115.516 115.700 -0.223 0.000 2.348 123 S HA -0.147 4.324 4.470 0.001 0.000 0.221 123 S C 1.935 176.348 174.600 -0.311 0.000 1.033 123 S CA 1.162 59.060 58.200 -0.503 0.000 1.010 123 S CB -0.058 63.055 63.200 -0.146 0.000 0.891 123 S HN 0.313 nan 8.310 nan 0.000 0.442 124 K N 0.418 120.767 120.400 -0.085 0.000 2.113 124 K HA -0.110 4.210 4.320 0.001 0.000 0.208 124 K C 1.812 178.434 176.600 0.036 0.000 1.047 124 K CA 1.293 57.578 56.287 -0.004 0.000 0.928 124 K CB -0.884 31.646 32.500 0.050 0.000 0.716 124 K HN 0.555 nan 8.250 nan 0.000 0.446 125 F N 1.452 121.367 119.950 -0.060 0.000 2.095 125 F HA -0.247 4.280 4.527 0.001 0.000 0.298 125 F C 2.121 177.899 175.800 -0.037 0.000 1.104 125 F CA 1.719 59.724 58.000 0.008 0.000 1.232 125 F CB -0.496 38.590 39.000 0.143 0.000 0.987 125 F HN 0.025 nan 8.300 nan 0.000 0.475 126 A N -0.196 122.526 122.820 -0.163 0.000 1.930 126 A HA -0.209 4.111 4.320 0.001 0.000 0.217 126 A C 2.235 179.824 177.584 0.007 0.000 1.175 126 A CA 1.613 53.564 52.037 -0.143 0.000 0.627 126 A CB -1.026 17.902 19.000 -0.120 0.000 0.815 126 A HN 0.616 nan 8.150 nan 0.000 0.443 127 E N 0.042 120.219 120.200 -0.039 0.000 2.051 127 E HA -0.185 4.165 4.350 0.001 0.000 0.192 127 E C 1.920 178.577 176.600 0.095 0.000 0.991 127 E CA 1.271 57.718 56.400 0.077 0.000 0.799 127 E CB -0.254 29.474 29.700 0.047 0.000 0.748 127 E HN 0.610 nan 8.360 nan 0.000 0.449 128 L N 0.568 121.771 121.223 -0.032 0.000 1.994 128 L HA -0.185 4.156 4.340 0.001 0.000 0.208 128 L C 2.749 179.491 176.870 -0.213 0.000 1.071 128 L CA 1.526 56.308 54.840 -0.097 0.000 0.745 128 L CB -0.518 41.466 42.059 -0.125 0.000 0.892 128 L HN 0.203 nan 8.230 nan 0.000 0.431 129 E N -0.063 119.857 120.200 -0.466 0.000 2.169 129 E HA -0.229 4.121 4.350 0.001 0.000 0.202 129 E C 1.292 177.501 176.600 -0.653 0.000 1.016 129 E CA 1.840 57.817 56.400 -0.705 0.000 0.817 129 E CB -0.064 28.998 29.700 -1.064 0.000 0.736 129 E HN 0.359 nan 8.360 nan 0.000 0.462 130 F N -1.882 118.021 119.950 -0.080 0.000 2.496 130 F HA 0.237 4.765 4.527 0.001 0.000 0.201 130 F C 1.463 177.318 175.800 0.093 0.000 1.140 130 F CA 0.401 58.399 58.000 -0.003 0.000 0.981 130 F CB -0.787 38.216 39.000 0.006 0.000 1.222 130 F HN 0.033 nan 8.300 nan 0.000 0.653 138 D N 0.437 120.959 120.400 0.203 0.000 9.781 138 D HA -0.060 4.580 4.640 0.001 0.000 0.283 138 D C 0.043 176.431 176.300 0.146 0.000 2.757 138 D CA 0.744 54.880 54.000 0.226 0.000 2.589 138 D CB -1.163 39.679 40.800 0.070 0.000 1.049 138 D HN 1.046 nan 8.370 nan 0.000 0.767 139 C N 1.776 121.186 119.300 0.184 0.000 3.363 139 C HA 0.968 5.428 4.460 0.001 0.000 0.364 139 C C 0.747 175.827 174.990 0.150 0.000 2.827 139 C CA 0.086 59.185 59.018 0.135 0.000 1.656 139 C CB 0.847 28.653 27.740 0.109 0.000 3.126 139 C HN 1.023 nan 8.230 nan 0.000 0.506 140 S N -0.335 115.456 115.700 0.150 0.000 2.617 140 S HA 0.470 4.941 4.470 0.001 0.000 0.283 140 S C 0.280 175.032 174.600 0.254 0.000 1.189 140 S CA -0.247 58.071 58.200 0.195 0.000 1.036 140 S CB 0.654 63.971 63.200 0.196 0.000 1.014 140 S HN 0.949 nan 8.310 nan 0.000 0.522 141 F N 2.659 122.712 119.950 0.171 0.000 2.154 141 F HA -0.111 4.416 4.527 0.001 0.000 0.301 141 F C 1.534 177.478 175.800 0.240 0.000 1.087 141 F CA 1.476 59.608 58.000 0.219 0.000 1.274 141 F CB -0.773 38.358 39.000 0.218 0.000 1.009 141 F HN 0.786 nan 8.300 nan 0.000 0.485 142 F N 1.389 121.312 119.950 -0.045 0.000 2.069 142 F HA -0.255 4.272 4.527 0.001 0.000 0.298 142 F C 2.433 178.009 175.800 -0.372 0.000 1.113 142 F CA 2.394 60.058 58.000 -0.559 0.000 1.214 142 F CB -1.115 37.298 39.000 -0.977 0.000 0.978 142 F HN 0.091 nan 8.300 nan 0.000 0.474 143 Q N 0.375 119.895 119.800 -0.467 0.000 2.061 143 Q HA -0.238 4.103 4.340 0.001 0.000 0.204 143 Q C 2.398 178.228 176.000 -0.283 0.000 0.984 143 Q CA 2.199 57.733 55.803 -0.448 0.000 0.846 143 Q CB -0.545 28.130 28.738 -0.106 0.000 0.902 143 Q HN 0.640 nan 8.270 nan 0.000 0.421 144 L N 0.105 121.270 121.223 -0.096 0.000 2.012 144 L HA -0.206 4.134 4.340 0.001 0.000 0.210 144 L C 2.119 179.012 176.870 0.037 0.000 1.073 144 L CA 1.073 55.947 54.840 0.057 0.000 0.748 144 L CB -0.174 42.017 42.059 0.220 0.000 0.891 144 L HN 0.068 nan 8.230 nan 0.000 0.431 145 V N -0.188 119.616 119.914 -0.184 0.000 2.407 145 V HA -0.321 3.799 4.120 0.001 0.000 0.248 145 V C 2.599 178.644 176.094 -0.082 0.000 1.055 145 V CA 1.829 64.036 62.300 -0.155 0.000 1.049 145 V CB -0.591 31.082 31.823 -0.249 0.000 0.662 145 V HN 0.434 nan 8.190 nan 0.000 0.455 146 M N -0.306 119.124 119.600 -0.284 0.000 2.132 146 M HA -0.126 4.355 4.480 0.001 0.000 0.263 146 M C 2.161 178.381 176.300 -0.133 0.000 1.065 146 M CA 1.647 56.798 55.300 -0.249 0.000 1.122 146 M CB -1.071 31.214 32.600 -0.525 0.000 1.365 146 M HN 0.356 nan 8.290 nan 0.000 0.411 147 K N -0.707 119.647 120.400 -0.077 0.000 2.032 147 K HA -0.220 4.101 4.320 0.001 0.000 0.209 147 K C 2.060 178.624 176.600 -0.061 0.000 1.048 147 K CA 1.705 57.993 56.287 0.003 0.000 0.927 147 K CB -0.648 31.939 32.500 0.145 0.000 0.712 147 K HN 0.266 nan 8.250 nan 0.000 0.441 148 Y N 2.034 122.184 120.300 -0.249 0.000 2.097 148 Y HA -0.234 4.316 4.550 0.001 0.000 0.282 148 Y C 1.949 177.585 175.900 -0.440 0.000 1.152 148 Y CA 1.411 59.036 58.100 -0.791 0.000 1.136 148 Y CB -0.381 37.663 38.460 -0.694 0.000 0.975 148 Y HN -0.063 nan 8.280 nan 0.000 0.498 149 L N -0.151 120.982 121.223 -0.151 0.000 2.043 149 L HA -0.262 4.079 4.340 0.001 0.000 0.212 149 L C 2.614 179.323 176.870 -0.269 0.000 1.075 149 L CA 1.744 56.489 54.840 -0.159 0.000 0.752 149 L CB -0.645 41.439 42.059 0.041 0.000 0.891 149 L HN 0.446 nan 8.230 nan 0.000 0.432 150 L N -0.582 120.500 121.223 -0.235 0.000 2.023 150 L HA -0.250 4.090 4.340 0.001 0.000 0.205 150 L C 2.614 179.326 176.870 -0.263 0.000 1.073 150 L CA 1.395 56.101 54.840 -0.222 0.000 0.745 150 L CB -0.257 41.701 42.059 -0.168 0.000 0.900 150 L HN 0.301 nan 8.230 nan 0.000 0.435 151 Q N -0.572 119.054 119.800 -0.290 0.000 2.364 151 Q HA -0.151 4.190 4.340 0.001 0.000 0.209 151 Q C 1.034 176.828 176.000 -0.344 0.000 0.977 151 Q CA 0.939 56.579 55.803 -0.272 0.000 0.885 151 Q CB 0.272 28.883 28.738 -0.212 0.000 0.941 151 Q HN 0.393 nan 8.270 nan 0.000 0.464 152 R N -0.619 119.575 120.500 -0.511 0.000 2.549 152 R HA 0.101 4.441 4.340 0.001 0.000 0.344 152 R C 1.539 177.596 176.300 -0.406 0.000 0.979 152 R CA 0.186 56.023 56.100 -0.439 0.000 1.140 152 R CB 0.149 29.997 30.300 -0.752 0.000 1.377 152 R HN 0.348 nan 8.270 nan 0.000 0.541 153 R N 0.713 120.981 120.500 -0.387 0.000 2.117 153 R HA -0.191 4.149 4.340 0.001 0.000 0.243 153 R C 1.744 177.824 176.300 -0.367 0.000 1.143 153 R CA 1.682 57.599 56.100 -0.305 0.000 0.968 153 R CB -0.505 29.641 30.300 -0.257 0.000 0.863 153 R HN 0.154 nan 8.270 nan 0.000 0.444 154 Q N 0.653 120.093 119.800 -0.600 0.000 2.248 154 Q HA -0.141 4.200 4.340 0.001 0.000 0.208 154 Q C 0.524 176.089 176.000 -0.725 0.000 0.984 154 Q CA 1.613 56.953 55.803 -0.772 0.000 0.875 154 Q CB 0.012 28.042 28.738 -1.181 0.000 0.910 154 Q HN 0.608 nan 8.270 nan 0.000 0.433 155 F N -0.168 119.716 119.950 -0.110 0.000 2.668 155 F HA 0.343 4.870 4.527 0.001 0.000 0.301 155 F C -0.315 175.445 175.800 -0.066 0.000 1.106 155 F CA -0.510 57.441 58.000 -0.082 0.000 1.289 155 F CB 0.631 39.579 39.000 -0.085 0.000 1.006 155 F HN -0.128 nan 8.300 nan 0.000 0.535 156 L N 0.628 121.852 121.223 0.002 0.000 2.386 156 L HA 0.464 4.805 4.340 0.001 0.000 0.271 156 L C 0.487 177.356 176.870 -0.001 0.000 0.993 156 L CA -0.965 53.886 54.840 0.019 0.000 0.819 156 L CB 2.231 44.288 42.059 -0.003 0.000 1.294 156 L HN 0.081 nan 8.230 nan 0.000 0.414 157 T N -2.265 112.305 114.554 0.026 0.000 2.726 157 T HA 0.137 4.487 4.350 0.001 0.000 0.294 157 T C 0.979 175.685 174.700 0.010 0.000 1.013 157 T CA -0.593 61.517 62.100 0.017 0.000 0.996 157 T CB 0.686 69.575 68.868 0.035 0.000 1.016 157 T HN 0.533 nan 8.240 nan 0.000 0.529 158 N N 0.896 119.597 118.700 0.002 0.000 2.142 158 N HA -0.111 4.629 4.740 0.001 0.000 0.186 158 N C 1.297 176.805 175.510 -0.004 0.000 1.023 158 N CA 1.296 54.341 53.050 -0.008 0.000 0.852 158 N CB -0.467 38.011 38.487 -0.015 0.000 0.998 158 N HN 0.628 nan 8.380 nan 0.000 0.424 159 D N 1.221 121.636 120.400 0.024 0.000 2.178 159 D HA -0.079 4.561 4.640 0.001 0.000 0.202 159 D C 2.035 178.388 176.300 0.088 0.000 0.974 159 D CA 0.767 54.799 54.000 0.054 0.000 0.841 159 D CB -0.099 40.793 40.800 0.153 0.000 0.953 159 D HN 0.392 nan 8.370 nan 0.000 0.478 160 Q N -0.041 119.814 119.800 0.091 0.000 2.046 160 Q HA -0.036 4.305 4.340 0.001 0.000 0.200 160 Q C 2.386 178.442 176.000 0.093 0.000 0.975 160 Q CA 0.754 56.622 55.803 0.109 0.000 0.836 160 Q CB -0.025 28.773 28.738 0.098 0.000 0.896 160 Q HN 0.337 nan 8.270 nan 0.000 0.428 161 I N 0.510 121.126 120.570 0.076 0.000 2.454 161 I HA -0.278 3.893 4.170 0.001 0.000 0.254 161 I C 2.574 178.777 176.117 0.143 0.000 1.156 161 I CA 0.962 62.336 61.300 0.122 0.000 1.433 161 I CB -0.265 37.786 38.000 0.086 0.000 1.082 161 I HN 0.167 nan 8.210 nan 0.000 0.432 162 R N 0.764 121.253 120.500 -0.019 0.000 2.056 162 R HA -0.139 4.201 4.340 0.001 0.000 0.227 162 R C 2.314 178.429 176.300 -0.308 0.000 1.149 162 R CA 1.684 57.648 56.100 -0.228 0.000 0.937 162 R CB -0.336 29.604 30.300 -0.601 0.000 0.835 162 R HN 0.256 nan 8.270 nan 0.000 0.430 163 Y N 0.317 120.624 120.300 0.011 0.000 2.420 163 Y HA -0.076 4.474 4.550 0.000 0.000 0.292 163 Y C 2.044 177.909 175.900 -0.058 0.000 1.119 163 Y CA 0.008 58.089 58.100 -0.031 0.000 1.229 163 Y CB -0.125 38.324 38.460 -0.019 0.000 1.026 163 Y HN 0.152 nan 8.280 nan 0.000 0.554 164 L N 2.514 123.800 121.223 0.105 0.000 1.997 164 L HA -0.166 4.174 4.340 0.001 0.000 0.216 164 L C -0.563 176.297 176.870 -0.016 0.000 1.074 164 L CA 2.122 56.986 54.840 0.040 0.000 0.763 164 L CB -1.771 40.333 42.059 0.076 0.000 0.890 164 L HN 0.002 nan 8.230 nan 0.000 0.434 165 P HA -0.199 nan 4.420 nan 0.000 0.218 165 P C 1.216 178.406 177.300 -0.183 0.000 1.148 165 P CA 1.439 64.541 63.100 0.003 0.000 0.822 165 P CB -0.124 31.651 31.700 0.124 0.000 0.784 166 Q N 0.004 119.712 119.800 -0.154 0.000 2.020 166 Q HA -0.074 4.266 4.340 0.001 0.000 0.198 166 Q C 2.497 178.381 176.000 -0.193 0.000 0.974 166 Q CA 0.916 56.602 55.803 -0.195 0.000 0.829 166 Q CB -1.467 27.255 28.738 -0.027 0.000 0.894 166 Q HN 0.304 nan 8.270 nan 0.000 0.433 167 L N 1.067 122.191 121.223 -0.166 0.000 2.043 167 L HA -0.206 4.134 4.340 0.001 0.000 0.212 167 L C 2.555 179.268 176.870 -0.261 0.000 1.075 167 L CA 2.115 56.775 54.840 -0.301 0.000 0.752 167 L CB -0.397 41.364 42.059 -0.498 0.000 0.891 167 L HN 0.453 nan 8.230 nan 0.000 0.432 168 C N -0.395 118.739 119.300 -0.277 0.000 2.430 168 C HA -0.038 4.422 4.460 0.001 0.000 0.288 168 C C 2.482 177.127 174.990 -0.575 0.000 1.448 168 C CA 0.224 58.991 59.018 -0.419 0.000 1.784 168 C CB -1.552 26.106 27.740 -0.137 0.000 1.776 168 C HN 0.505 nan 8.230 nan 0.000 0.547 169 R N 0.081 120.332 120.500 -0.415 0.000 2.323 169 R HA -0.000 4.340 4.340 0.001 0.000 0.198 169 R C 1.837 177.914 176.300 -0.371 0.000 0.988 169 R CA 1.176 57.049 56.100 -0.378 0.000 1.041 169 R CB -0.465 29.505 30.300 -0.550 0.000 0.926 169 R HN 0.916 nan 8.270 nan 0.000 0.476 170 Y N -0.692 119.478 120.300 -0.217 0.000 2.298 170 Y HA -0.174 4.376 4.550 0.001 0.000 0.287 170 Y C 1.504 177.128 175.900 -0.459 0.000 1.164 170 Y CA 0.665 58.627 58.100 -0.230 0.000 1.229 170 Y CB -0.844 37.490 38.460 -0.210 0.000 0.977 170 Y HN -0.027 nan 8.280 nan 0.000 0.538 171 L N 0.542 121.197 121.223 -0.947 0.000 2.353 171 L HA -0.153 4.188 4.340 0.001 0.000 0.220 171 L C 2.179 178.839 176.870 -0.351 0.000 1.133 171 L CA 1.330 55.573 54.840 -0.994 0.000 0.798 171 L CB -0.514 40.762 42.059 -1.305 0.000 0.922 171 L HN 0.372 nan 8.230 nan 0.000 0.445 172 E N -0.227 119.853 120.200 -0.199 0.000 2.204 172 E HA -0.169 4.181 4.350 0.001 0.000 0.194 172 E C 1.898 178.573 176.600 0.126 0.000 0.989 172 E CA 0.639 57.047 56.400 0.014 0.000 0.824 172 E CB 0.109 29.814 29.700 0.008 0.000 0.756 172 E HN 0.326 nan 8.360 nan 0.000 0.477 173 L N -0.571 120.732 121.223 0.132 0.000 2.313 173 L HA -0.075 4.265 4.340 0.001 0.000 0.214 173 L C 1.658 178.767 176.870 0.399 0.000 1.119 173 L CA 0.990 55.995 54.840 0.274 0.000 0.809 173 L CB -1.099 41.152 42.059 0.321 0.000 0.933 173 L HN 0.303 nan 8.230 nan 0.000 0.449 174 W N -0.331 120.987 121.300 0.030 0.000 2.436 174 W HA -0.027 4.633 4.660 0.001 0.000 0.284 174 W C 2.644 179.109 176.519 -0.089 0.000 1.225 174 W CA 0.478 57.791 57.345 -0.054 0.000 1.271 174 W CB -0.637 28.739 29.460 -0.141 0.000 1.114 174 W HN 0.309 nan 8.180 nan 0.000 0.559 175 H N -2.056 117.231 119.070 0.362 0.000 2.604 175 H HA 0.250 4.806 4.556 0.001 0.000 0.273 175 H C 1.732 177.147 175.328 0.145 0.000 0.971 175 H CA 1.140 57.346 56.048 0.264 0.000 1.249 175 H CB 0.156 30.000 29.762 0.136 0.000 1.449 175 H HN 0.043 nan 8.280 nan 0.000 0.512 176 G N 1.393 110.338 108.800 0.242 0.000 2.248 176 G HA2 -0.206 3.755 3.960 0.001 0.000 0.263 176 G HA3 -0.206 3.755 3.960 0.001 0.000 0.263 176 G C -0.617 174.334 174.900 0.084 0.000 1.082 176 G CA 0.210 45.379 45.100 0.116 0.000 0.863 176 G HN 0.204 nan 8.290 nan 0.000 0.495 177 L N 0.305 121.608 121.223 0.134 0.000 2.482 177 L HA 0.536 4.877 4.340 0.001 0.000 0.263 177 L C -0.069 176.885 176.870 0.141 0.000 0.957 177 L CA -1.130 53.779 54.840 0.114 0.000 0.836 177 L CB 1.802 43.925 42.059 0.107 0.000 1.324 177 L HN 0.290 nan 8.230 nan 0.000 0.406 178 D N 2.467 122.959 120.400 0.154 0.000 2.382 178 D HA -0.077 4.564 4.640 0.001 0.000 0.240 178 D C 0.629 177.146 176.300 0.362 0.000 1.146 178 D CA -0.114 54.021 54.000 0.226 0.000 0.897 178 D CB 0.932 41.868 40.800 0.226 0.000 1.197 178 D HN 0.668 nan 8.370 nan 0.000 0.432 179 W N 3.810 125.206 121.300 0.159 0.000 2.468 179 W HA -0.043 4.617 4.660 0.001 0.000 0.262 179 W C 0.983 177.646 176.519 0.239 0.000 1.241 179 W CA 0.209 57.717 57.345 0.272 0.000 1.232 179 W CB -0.932 28.761 29.460 0.389 0.000 1.124 179 W HN 0.385 nan 8.180 nan 0.000 0.597 180 K N 0.267 120.842 120.400 0.292 0.000 2.379 180 K HA 0.179 4.499 4.320 0.001 0.000 0.194 180 K C 1.890 178.568 176.600 0.129 0.000 1.031 180 K CA 0.302 56.634 56.287 0.075 0.000 1.037 180 K CB 0.126 32.554 32.500 -0.121 0.000 0.824 180 K HN 0.188 nan 8.250 nan 0.000 0.516 181 L N 0.419 121.744 121.223 0.170 0.000 2.515 181 L HA 0.164 4.505 4.340 0.001 0.000 0.223 181 L C 0.427 177.386 176.870 0.148 0.000 1.079 181 L CA -0.250 54.673 54.840 0.139 0.000 0.857 181 L CB 0.178 42.305 42.059 0.113 0.000 1.050 181 L HN 0.116 nan 8.230 nan 0.000 0.476 182 L N 0.251 121.572 121.223 0.162 0.000 2.371 182 L HA 0.193 4.534 4.340 0.001 0.000 0.272 182 L C 0.585 177.499 176.870 0.073 0.000 1.124 182 L CA 0.335 55.225 54.840 0.083 0.000 0.816 182 L CB 1.387 43.473 42.059 0.044 0.000 1.129 182 L HN -0.145 nan 8.230 nan 0.000 0.448 183 S N 3.442 119.116 115.700 -0.043 0.000 2.481 183 S HA 0.427 4.898 4.470 0.001 0.000 0.276 183 S C 1.201 175.777 174.600 -0.039 0.000 1.247 183 S CA -0.083 58.072 58.200 -0.074 0.000 1.053 183 S CB 0.804 63.878 63.200 -0.211 0.000 0.925 183 S HN 0.899 nan 8.310 nan 0.000 0.491 184 A N 5.353 128.230 122.820 0.094 0.000 1.969 184 A HA -0.010 4.311 4.320 0.001 0.000 0.218 184 A C 2.029 179.599 177.584 -0.022 0.000 1.169 184 A CA 1.359 53.537 52.037 0.235 0.000 0.635 184 A CB -0.465 18.798 19.000 0.439 0.000 0.810 184 A HN 0.886 nan 8.150 nan 0.000 0.445 185 K N -0.790 119.410 120.400 -0.333 0.000 2.360 185 K HA -0.180 4.140 4.320 0.001 0.000 0.201 185 K C 0.968 177.325 176.600 -0.404 0.000 1.046 185 K CA 1.666 57.461 56.287 -0.821 0.000 0.945 185 K CB -0.074 32.035 32.500 -0.652 0.000 0.750 185 K HN 0.477 nan 8.250 nan 0.000 0.464 186 D N -1.741 118.532 120.400 -0.212 0.000 2.474 186 D HA 0.055 4.695 4.640 0.001 0.000 0.213 186 D C 1.057 177.382 176.300 0.042 0.000 1.120 186 D CA 0.158 54.101 54.000 -0.096 0.000 0.836 186 D CB 0.584 41.297 40.800 -0.144 0.000 1.019 186 D HN -0.021 nan 8.370 nan 0.000 0.507 187 T N -0.189 114.344 114.554 -0.036 0.000 2.580 187 T HA -0.165 4.185 4.350 0.001 0.000 0.265 187 T C 0.143 174.939 174.700 0.161 0.000 1.063 187 T CA 1.255 63.308 62.100 -0.078 0.000 1.170 187 T CB -0.338 68.328 68.868 -0.336 0.000 0.863 187 T HN 0.130 nan 8.240 nan 0.000 0.418 188 Y N 1.582 121.969 120.300 0.145 0.000 2.319 188 Y HA 0.407 4.957 4.550 0.001 0.000 0.328 188 Y C -0.276 175.823 175.900 0.331 0.000 1.133 188 Y CA -1.258 56.937 58.100 0.157 0.000 1.265 188 Y CB 0.243 38.765 38.460 0.104 0.000 1.218 188 Y HN 0.270 nan 8.280 nan 0.000 0.508 189 F N -0.152 120.002 119.950 0.340 0.000 3.395 189 F HA 0.546 5.074 4.527 0.001 0.000 0.382 189 F C -0.134 175.852 175.800 0.310 0.000 1.264 189 F CA -1.475 56.667 58.000 0.236 0.000 1.277 189 F CB -0.075 38.999 39.000 0.124 0.000 1.780 189 F HN 0.601 nan 8.300 nan 0.000 0.691 190 G N 3.048 111.973 108.800 0.208 0.000 2.321 190 G HA2 0.130 4.090 3.960 0.001 0.000 0.237 190 G HA3 0.130 4.090 3.960 0.001 0.000 0.237 190 G C -0.514 174.508 174.900 0.202 0.000 1.282 190 G CA -0.267 44.939 45.100 0.177 0.000 0.886 190 G HN 0.879 nan 8.290 nan 0.000 0.528 191 H N 1.711 120.716 119.070 -0.108 0.000 2.502 191 H HA 0.128 4.684 4.556 0.001 0.000 0.327 191 H C 0.209 175.518 175.328 -0.031 0.000 1.099 191 H CA -0.642 55.352 56.048 -0.090 0.000 1.323 191 H CB 1.533 31.147 29.762 -0.247 0.000 1.450 191 H HN 0.443 nan 8.280 nan 0.000 0.502 192 Q N 2.583 122.446 119.800 0.105 0.000 3.047 192 Q HA 0.146 4.487 4.340 0.001 0.000 0.273 192 Q C 0.727 176.745 176.000 0.031 0.000 1.243 192 Q CA 0.029 55.866 55.803 0.057 0.000 0.929 192 Q CB -0.201 28.559 28.738 0.037 0.000 1.721 192 Q HN 0.945 nan 8.270 nan 0.000 0.471 193 G N 0.558 109.379 108.800 0.035 0.000 2.525 193 G HA2 -0.193 3.767 3.960 0.001 0.000 0.685 193 G HA3 -0.193 3.767 3.960 0.001 0.000 0.685 193 G C -0.650 174.259 174.900 0.014 0.000 1.290 193 G CA -1.070 44.041 45.100 0.018 0.000 0.915 193 G HN 0.432 nan 8.290 nan 0.000 0.548 194 R N -0.147 120.382 120.500 0.048 0.000 2.944 194 R HA 0.267 4.607 4.340 0.001 0.000 0.279 194 R C 0.366 176.661 176.300 -0.008 0.000 1.048 194 R CA 0.650 56.800 56.100 0.082 0.000 1.196 194 R CB 0.030 30.496 30.300 0.277 0.000 1.134 194 R HN 0.621 nan 8.270 nan 0.000 0.525 195 N N -1.114 117.555 118.700 -0.051 0.000 2.370 195 N HA 0.475 5.216 4.740 0.001 0.000 0.303 195 N C -1.528 173.810 175.510 -0.288 0.000 1.103 195 N CA -0.525 52.427 53.050 -0.164 0.000 0.848 195 N CB 2.185 40.554 38.487 -0.197 0.000 1.235 195 N HN 0.574 nan 8.380 nan 0.000 0.496 196 A N 1.243 123.830 122.820 -0.387 0.000 2.318 196 A HA 0.477 4.797 4.320 0.001 0.000 0.317 196 A C -1.298 176.382 177.584 0.159 0.000 1.159 196 A CA -0.558 51.195 52.037 -0.473 0.000 0.799 196 A CB 0.085 18.452 19.000 -1.054 0.000 1.194 196 A HN 0.665 nan 8.150 nan 0.000 0.479 197 F N 3.366 123.373 119.950 0.095 0.000 2.472 197 F HA 0.474 5.002 4.527 0.001 0.000 0.364 197 F C 0.814 176.566 175.800 -0.081 0.000 1.090 197 F CA -0.269 57.638 58.000 -0.156 0.000 1.188 197 F CB 0.675 39.609 39.000 -0.110 0.000 1.105 197 F HN 0.717 nan 8.300 nan 0.000 0.536 198 A N 7.604 130.072 122.820 -0.588 0.000 2.451 198 A HA 0.313 4.634 4.320 0.001 0.000 0.266 198 A C -0.202 177.144 177.584 -0.396 0.000 1.119 198 A CA -0.434 51.342 52.037 -0.436 0.000 0.786 198 A CB -0.266 18.191 19.000 -0.905 0.000 1.061 198 A HN 0.880 nan 8.150 nan 0.000 0.503 199 L N 2.689 123.845 121.223 -0.112 0.000 2.536 199 L HA 0.395 4.735 4.340 0.001 0.000 0.242 199 L C 0.957 177.774 176.870 -0.088 0.000 1.280 199 L CA 0.814 55.622 54.840 -0.054 0.000 1.221 199 L CB -0.953 41.118 42.059 0.021 0.000 1.449 199 L HN 1.047 nan 8.230 nan 0.000 0.405 200 N N -0.293 118.324 118.700 -0.138 0.000 4.976 200 N HA -0.166 4.574 4.740 0.001 0.000 0.294 200 N C -0.074 175.381 175.510 -0.091 0.000 0.780 200 N CA -0.147 52.853 53.050 -0.084 0.000 0.693 200 N CB -2.005 nan 38.487 nan 0.000 1.699 200 N HN 0.338 nan 8.380 nan 0.000 0.666 201 Y N 0.393 120.616 120.300 -0.128 0.000 2.439 201 Y HA -0.120 4.430 4.550 0.001 0.000 0.292 201 Y C 2.395 178.273 175.900 -0.037 0.000 1.130 201 Y CA 2.057 60.092 58.100 -0.108 0.000 1.254 201 Y CB 0.474 38.842 38.460 -0.154 0.000 1.000 201 Y HN 0.863 nan 8.280 nan 0.000 0.554 202 D N -1.547 118.927 120.400 0.123 0.000 2.263 202 D HA -0.145 4.495 4.640 0.001 0.000 0.208 202 D C 1.805 178.143 176.300 0.064 0.000 0.971 202 D CA 1.266 55.321 54.000 0.093 0.000 0.867 202 D CB -0.472 40.366 40.800 0.062 0.000 0.929 202 D HN 0.185 nan 8.370 nan 0.000 0.492 203 S N -0.131 115.588 115.700 0.033 0.000 2.371 203 S HA -0.052 4.418 4.470 0.001 0.000 0.224 203 S C 2.284 176.909 174.600 0.041 0.000 1.029 203 S CA 0.682 58.892 58.200 0.016 0.000 0.978 203 S CB -0.150 63.041 63.200 -0.014 0.000 0.833 203 S HN 0.188 nan 8.310 nan 0.000 0.466 204 V N 1.644 121.591 119.914 0.056 0.000 2.255 204 V HA -0.161 3.959 4.120 0.001 0.000 0.247 204 V C 2.336 178.517 176.094 0.146 0.000 1.051 204 V CA 1.574 63.933 62.300 0.098 0.000 1.018 204 V CB -0.863 31.037 31.823 0.128 0.000 0.641 204 V HN 0.321 nan 8.190 nan 0.000 0.445 205 V N -0.493 119.519 119.914 0.163 0.000 2.255 205 V HA -0.280 3.841 4.120 0.001 0.000 0.247 205 V C 2.643 178.807 176.094 0.117 0.000 1.051 205 V CA 1.932 64.327 62.300 0.158 0.000 1.018 205 V CB -0.733 31.176 31.823 0.143 0.000 0.641 205 V HN 0.504 nan 8.190 nan 0.000 0.445 206 Q N -0.212 119.633 119.800 0.076 0.000 2.096 206 Q HA -0.228 4.113 4.340 0.001 0.000 0.204 206 Q C 2.336 178.346 176.000 0.017 0.000 0.982 206 Q CA 2.019 57.842 55.803 0.032 0.000 0.850 206 Q CB -0.592 28.155 28.738 0.014 0.000 0.901 206 Q HN 0.658 nan 8.270 nan 0.000 0.422 207 R N 0.334 120.857 120.500 0.039 0.000 2.083 207 R HA -0.109 4.231 4.340 0.001 0.000 0.237 207 R C 2.302 178.642 176.300 0.066 0.000 1.137 207 R CA 1.386 57.508 56.100 0.037 0.000 0.951 207 R CB -0.278 30.052 30.300 0.049 0.000 0.851 207 R HN 0.228 nan 8.270 nan 0.000 0.434 208 I N 0.791 121.443 120.570 0.137 0.000 2.202 208 I HA -0.194 3.976 4.170 0.001 0.000 0.242 208 I C 2.644 178.894 176.117 0.221 0.000 1.091 208 I CA 1.173 62.607 61.300 0.224 0.000 1.368 208 I CB -0.535 37.649 38.000 0.307 0.000 1.058 208 I HN 0.329 nan 8.210 nan 0.000 0.410 209 A N 1.188 124.094 122.820 0.143 0.000 1.948 209 A HA -0.246 4.074 4.320 0.001 0.000 0.220 209 A C 1.883 179.097 177.584 -0.616 0.000 1.177 209 A CA 1.931 53.953 52.037 -0.023 0.000 0.636 209 A CB -0.746 18.267 19.000 0.022 0.000 0.815 209 A HN 0.682 nan 8.150 nan 0.000 0.449 210 Q N -0.185 119.400 119.800 -0.360 0.000 2.286 210 Q HA 0.328 4.668 4.340 0.001 0.000 0.281 210 Q C 0.407 176.204 176.000 -0.337 0.000 0.897 210 Q CA 0.574 56.126 55.803 -0.419 0.000 1.023 210 Q CB -0.227 28.374 28.738 -0.229 0.000 1.151 210 Q HN 0.438 nan 8.270 nan 0.000 0.445 211 S N -0.671 114.833 115.700 -0.327 0.000 2.650 211 S HA 0.426 4.897 4.470 0.001 0.000 0.240 211 S C -0.166 174.405 174.600 -0.048 0.000 1.007 211 S CA -0.792 57.367 58.200 -0.069 0.000 0.984 211 S CB -0.421 62.852 63.200 0.121 0.000 0.910 211 S HN 0.469 nan 8.310 nan 0.000 0.509 212 F N -1.269 118.465 119.950 -0.361 0.000 2.711 212 F HA 0.791 5.318 4.527 0.001 0.000 0.313 212 F C -3.122 172.208 175.800 -0.782 0.000 1.141 212 F CA -2.541 54.974 58.000 -0.809 0.000 0.941 212 F CB -0.002 38.626 39.000 -0.620 0.000 1.349 212 F HN -0.262 nan 8.300 nan 0.000 0.464 213 P HA -0.022 nan 4.420 nan 0.000 0.262 213 P C 0.058 177.155 177.300 -0.337 0.000 1.199 213 P CA 0.258 62.999 63.100 -0.599 0.000 0.763 213 P CB 1.317 32.611 31.700 -0.677 0.000 0.790 214 Q N 3.868 123.512 119.800 -0.261 0.000 2.364 214 Q HA -0.214 4.126 4.340 0.001 0.000 0.209 214 Q C 0.743 176.760 176.000 0.028 0.000 0.977 214 Q CA 1.905 57.623 55.803 -0.142 0.000 0.885 214 Q CB -0.666 27.988 28.738 -0.140 0.000 0.941 214 Q HN 0.518 nan 8.270 nan 0.000 0.464 215 N N -1.672 117.069 118.700 0.067 0.000 2.383 215 N HA -0.052 4.688 4.740 0.001 0.000 0.192 215 N C 0.393 176.101 175.510 0.330 0.000 1.141 215 N CA 0.091 53.239 53.050 0.163 0.000 0.851 215 N CB -0.043 38.525 38.487 0.136 0.000 0.976 215 N HN 0.222 nan 8.380 nan 0.000 0.465 216 W N 0.274 121.632 121.300 0.096 0.000 2.576 216 W HA 0.367 5.027 4.660 0.001 0.000 0.275 216 W C 0.325 176.880 176.519 0.061 0.000 1.241 216 W CA -0.511 56.883 57.345 0.082 0.000 1.328 216 W CB -0.522 29.018 29.460 0.134 0.000 1.092 216 W HN 0.084 nan 8.180 nan 0.000 0.586 217 L N 2.289 123.726 121.223 0.357 0.000 2.410 217 L HA 0.177 4.517 4.340 0.001 0.000 0.273 217 L C -0.126 176.815 176.870 0.120 0.000 1.152 217 L CA 0.258 55.231 54.840 0.221 0.000 0.855 217 L CB 0.414 42.610 42.059 0.227 0.000 1.129 217 L HN -0.278 nan 8.230 nan 0.000 0.463 218 K N 5.152 125.589 120.400 0.061 0.000 2.616 218 K HA 0.504 4.824 4.320 0.001 0.000 0.241 218 K C -1.388 175.226 176.600 0.023 0.000 0.961 218 K CA -0.254 56.056 56.287 0.039 0.000 0.942 218 K CB 0.437 32.940 32.500 0.006 0.000 1.153 218 K HN 0.615 nan 8.250 nan 0.000 0.452 219 L N 1.889 123.133 121.223 0.035 0.000 2.454 219 L HA 0.346 4.686 4.340 0.001 0.000 0.256 219 L C 0.537 177.417 176.870 0.018 0.000 1.136 219 L CA -0.606 54.247 54.840 0.023 0.000 0.804 219 L CB 0.940 43.020 42.059 0.034 0.000 1.181 219 L HN 0.842 nan 8.230 nan 0.000 0.469 220 S N -0.868 114.836 115.700 0.006 0.000 3.521 220 S HA -0.210 4.260 4.470 0.001 0.000 0.328 220 S C -0.063 174.542 174.600 0.008 0.000 1.165 220 S CA 0.429 58.638 58.200 0.015 0.000 0.941 220 S CB -1.244 61.977 63.200 0.035 0.000 0.951 220 S HN 0.664 nan 8.310 nan 0.000 0.539 221 c N 2.609 121.198 118.600 -0.018 0.000 2.184 221 c HA 0.388 4.958 4.570 0.001 0.000 0.328 221 c C 0.571 174.630 174.090 -0.053 0.000 1.081 221 c CA -0.672 55.653 56.329 -0.008 0.000 1.533 221 c CB -0.625 41.886 42.510 0.002 0.000 1.905 221 c HN 0.587 nan 8.230 nan 0.000 0.439 222 E N 3.952 124.131 120.200 -0.035 0.000 2.129 222 E HA 0.277 4.628 4.350 0.001 0.000 0.283 222 E C -0.508 176.074 176.600 -0.031 0.000 1.080 222 E CA -0.209 56.157 56.400 -0.056 0.000 0.867 222 E CB 0.775 30.495 29.700 0.035 0.000 1.056 222 E HN 0.540 nan 8.360 nan 0.000 0.404 223 V N 6.288 126.165 119.914 -0.062 0.000 2.521 223 V HA -0.029 4.092 4.120 0.001 0.000 0.286 223 V C 1.220 177.274 176.094 -0.067 0.000 1.034 223 V CA 0.457 62.721 62.300 -0.060 0.000 1.045 223 V CB 0.917 32.683 31.823 -0.095 0.000 0.974 223 V HN 0.781 nan 8.190 nan 0.000 0.480 224 K N 2.715 123.079 120.400 -0.060 0.000 2.348 224 K HA 0.244 4.565 4.320 0.001 0.000 0.194 224 K C 0.394 176.925 176.600 -0.114 0.000 1.052 224 K CA 0.398 56.645 56.287 -0.066 0.000 1.004 224 K CB 0.608 33.087 32.500 -0.034 0.000 0.873 224 K HN 0.668 nan 8.250 nan 0.000 0.523 225 S N 0.287 115.905 115.700 -0.136 0.000 2.542 225 S HA 0.497 4.967 4.470 0.001 0.000 0.276 225 S C -0.969 173.518 174.600 -0.187 0.000 1.148 225 S CA -1.020 57.071 58.200 -0.181 0.000 0.886 225 S CB 0.969 64.107 63.200 -0.103 0.000 1.109 225 S HN 0.177 nan 8.310 nan 0.000 0.458 226 I N 2.344 122.754 120.570 -0.266 0.000 2.382 226 I HA 0.385 4.555 4.170 0.001 0.000 0.285 226 I C -0.404 175.686 176.117 -0.045 0.000 1.007 226 I CA -0.257 60.942 61.300 -0.169 0.000 1.142 226 I CB 1.966 39.826 38.000 -0.234 0.000 1.289 226 I HN 0.659 nan 8.210 nan 0.000 0.453 227 T N 5.299 119.842 114.554 -0.018 0.000 2.824 227 T HA 0.391 4.741 4.350 0.001 0.000 0.280 227 T C -0.019 174.692 174.700 0.017 0.000 0.995 227 T CA -0.612 61.495 62.100 0.012 0.000 1.009 227 T CB 1.378 70.245 68.868 -0.002 0.000 0.955 227 T HN 0.264 nan 8.240 nan 0.000 0.452 228 R N 2.582 123.102 120.500 0.033 0.000 2.221 228 R HA 0.236 4.577 4.340 0.001 0.000 0.327 228 R C -0.442 175.860 176.300 0.003 0.000 1.033 228 R CA -0.454 55.657 56.100 0.019 0.000 0.887 228 R CB 0.340 30.661 30.300 0.035 0.000 1.057 228 R HN 0.695 nan 8.270 nan 0.000 0.455 229 E N 6.744 126.936 120.200 -0.013 0.000 2.070 229 E HA 0.185 4.535 4.350 0.001 0.000 0.261 229 E C -1.545 175.040 176.600 -0.024 0.000 0.926 229 E CA -1.757 54.633 56.400 -0.017 0.000 0.760 229 E CB 1.469 31.155 29.700 -0.024 0.000 1.133 229 E HN 0.388 nan 8.360 nan 0.000 0.420 230 P HA -0.295 nan 4.420 nan 0.000 0.220 230 P C 0.936 178.220 177.300 -0.026 0.000 1.149 230 P CA 1.317 64.407 63.100 -0.017 0.000 0.829 230 P CB 0.006 31.700 31.700 -0.009 0.000 0.772 231 S N -0.999 114.684 115.700 -0.028 0.000 2.954 231 S HA 0.050 4.520 4.470 0.001 0.000 0.234 231 S C 0.530 175.101 174.600 -0.048 0.000 0.978 231 S CA -0.266 57.915 58.200 -0.032 0.000 1.045 231 S CB -1.226 61.958 63.200 -0.027 0.000 0.807 231 S HN 0.203 nan 8.310 nan 0.000 0.508 232 K N 0.490 120.852 120.400 -0.063 0.000 3.162 232 K HA -0.126 4.194 4.320 0.001 0.000 0.268 232 K C -0.965 175.565 176.600 -0.118 0.000 1.062 232 K CA 0.563 56.789 56.287 -0.101 0.000 0.769 232 K CB -1.868 30.575 32.500 -0.094 0.000 1.274 232 K HN 0.596 nan 8.250 nan 0.000 0.478 233 N N -0.216 118.426 118.700 -0.097 0.000 2.331 233 N HA 0.437 5.177 4.740 0.001 0.000 0.280 233 N C -1.115 174.352 175.510 -0.072 0.000 1.155 233 N CA -0.665 52.333 53.050 -0.087 0.000 0.822 233 N CB 2.348 40.800 38.487 -0.058 0.000 1.619 233 N HN -0.071 nan 8.380 nan 0.000 0.476 234 V N 0.772 120.645 119.914 -0.067 0.000 2.588 234 V HA 0.465 4.586 4.120 0.001 0.000 0.304 234 V C -0.109 175.969 176.094 -0.027 0.000 1.042 234 V CA -0.566 61.707 62.300 -0.046 0.000 0.877 234 V CB 1.876 33.667 31.823 -0.055 0.000 0.996 234 V HN 0.622 nan 8.190 nan 0.000 0.425 235 T N 4.421 118.964 114.554 -0.018 0.000 2.832 235 T HA 0.488 4.839 4.350 0.001 0.000 0.313 235 T C -0.113 174.585 174.700 -0.004 0.000 1.035 235 T CA -0.174 61.921 62.100 -0.007 0.000 0.950 235 T CB 0.837 69.697 68.868 -0.014 0.000 0.984 235 T HN 0.385 nan 8.240 nan 0.000 0.486 236 V N 5.201 125.133 119.914 0.030 0.000 2.612 236 V HA 0.620 4.741 4.120 0.001 0.000 0.301 236 V C -0.200 175.959 176.094 0.109 0.000 1.046 236 V CA -1.051 61.271 62.300 0.037 0.000 0.946 236 V CB 1.417 33.255 31.823 0.025 0.000 1.003 236 V HN 0.971 nan 8.190 nan 0.000 0.459 237 N N 1.601 120.343 118.700 0.071 0.000 2.616 237 N HA 0.204 4.944 4.740 0.001 0.000 0.281 237 N C -0.982 174.557 175.510 0.050 0.000 1.145 237 N CA -0.441 52.652 53.050 0.072 0.000 0.919 237 N CB 0.622 39.108 38.487 -0.001 0.000 1.509 237 N HN 0.533 nan 8.380 nan 0.000 0.537 238 c N 1.545 120.206 118.600 0.103 0.000 2.703 238 c HA 0.040 4.611 4.570 0.001 0.000 0.411 238 c C 2.025 176.130 174.090 0.025 0.000 1.290 238 c CA -0.095 56.269 56.329 0.058 0.000 2.054 238 c CB -0.201 42.366 42.510 0.095 0.000 2.732 238 c HN 0.840 nan 8.230 nan 0.000 0.650 239 E N 0.812 121.021 120.200 0.014 0.000 2.533 239 E HA -0.120 4.231 4.350 0.001 0.000 0.201 239 E C 0.682 177.288 176.600 0.010 0.000 1.097 239 E CA 1.091 57.496 56.400 0.009 0.000 0.887 239 E CB -0.553 29.155 29.700 0.014 0.000 0.855 239 E HN 0.766 nan 8.360 nan 0.000 0.540 240 D N -0.748 119.661 120.400 0.014 0.000 2.342 240 D HA 0.160 4.801 4.640 0.001 0.000 0.221 240 D C 1.355 177.651 176.300 -0.007 0.000 1.101 240 D CA 0.263 54.269 54.000 0.009 0.000 0.837 240 D CB 0.053 40.865 40.800 0.020 0.000 0.938 240 D HN 0.224 nan 8.370 nan 0.000 0.508 241 G N 0.680 109.470 108.800 -0.016 0.000 2.420 241 G HA2 -0.302 3.659 3.960 0.001 0.000 0.221 241 G HA3 -0.302 3.659 3.960 0.001 0.000 0.221 241 G C 0.608 175.465 174.900 -0.071 0.000 1.117 241 G CA 0.263 45.340 45.100 -0.037 0.000 0.657 241 G HN 0.862 nan 8.290 nan 0.000 0.512 242 T N 0.318 114.819 114.554 -0.088 0.000 2.822 242 T HA 0.442 4.793 4.350 0.001 0.000 0.288 242 T C 0.168 174.694 174.700 -0.289 0.000 0.991 242 T CA 0.315 62.290 62.100 -0.209 0.000 1.176 242 T CB 1.641 70.386 68.868 -0.204 0.000 0.951 242 T HN 1.020 nan 8.240 nan 0.000 0.526 243 V N 4.867 124.560 119.914 -0.368 0.000 2.513 243 V HA 0.547 4.667 4.120 0.001 0.000 0.299 243 V C -0.817 175.019 176.094 -0.431 0.000 1.035 243 V CA -0.915 61.220 62.300 -0.275 0.000 0.889 243 V CB 1.179 32.920 31.823 -0.137 0.000 0.988 243 V HN 0.908 nan 8.190 nan 0.000 0.440 244 Y N 2.454 122.724 120.300 -0.050 0.000 2.562 244 Y HA 0.593 5.143 4.550 0.001 0.000 0.343 244 Y C 0.070 175.934 175.900 -0.061 0.000 1.025 244 Y CA -1.097 56.969 58.100 -0.056 0.000 1.082 244 Y CB 1.869 40.288 38.460 -0.067 0.000 1.264 244 Y HN 0.560 nan 8.280 nan 0.000 0.478 245 N N 0.657 119.421 118.700 0.106 0.000 2.500 245 N HA 0.750 5.490 4.740 0.001 0.000 0.291 245 N C -1.607 173.903 175.510 0.000 0.000 1.092 245 N CA -0.386 52.680 53.050 0.026 0.000 0.890 245 N CB 1.711 40.197 38.487 -0.003 0.000 1.466 245 N HN 0.802 nan 8.380 nan 0.000 0.507 246 A N 1.267 124.068 122.820 -0.032 0.000 2.479 246 A HA 0.537 4.857 4.320 0.001 0.000 0.296 246 A C 0.023 177.553 177.584 -0.091 0.000 1.121 246 A CA -0.562 51.441 52.037 -0.057 0.000 0.743 246 A CB 0.841 19.796 19.000 -0.075 0.000 1.323 246 A HN 0.541 nan 8.150 nan 0.000 0.415 247 D N -0.332 120.009 120.400 -0.098 0.000 2.077 247 D HA -0.019 4.621 4.640 0.001 0.000 0.193 247 D C -0.161 175.877 176.300 -0.436 0.000 0.989 247 D CA 2.229 56.076 54.000 -0.256 0.000 0.831 247 D CB -0.291 40.417 40.800 -0.154 0.000 0.979 247 D HN 0.532 nan 8.370 nan 0.000 0.449 248 Y N -1.055 119.206 120.300 -0.064 0.000 2.549 248 Y HA 0.555 5.105 4.550 0.001 0.000 0.339 248 Y C -0.111 175.735 175.900 -0.090 0.000 1.053 248 Y CA -1.120 56.941 58.100 -0.066 0.000 1.105 248 Y CB 1.983 40.406 38.460 -0.062 0.000 1.258 248 Y HN -0.380 nan 8.280 nan 0.000 0.478 249 V N 3.982 123.937 119.914 0.069 0.000 2.482 249 V HA 0.369 4.489 4.120 0.001 0.000 0.295 249 V C -0.638 175.421 176.094 -0.059 0.000 1.026 249 V CA -0.781 61.503 62.300 -0.026 0.000 0.856 249 V CB 1.362 33.154 31.823 -0.051 0.000 1.001 249 V HN 0.578 nan 8.190 nan 0.000 0.424 250 I N 6.303 126.825 120.570 -0.080 0.000 2.306 250 I HA 0.423 4.593 4.170 0.001 0.000 0.288 250 I C -0.248 175.804 176.117 -0.108 0.000 1.036 250 I CA -0.248 60.996 61.300 -0.093 0.000 1.221 250 I CB 1.174 39.130 38.000 -0.073 0.000 1.385 250 I HN 0.433 nan 8.210 nan 0.000 0.472 251 I N 6.113 126.583 120.570 -0.168 0.000 2.291 251 I HA 0.073 4.243 4.170 0.001 0.000 0.292 251 I C 1.308 177.448 176.117 0.038 0.000 1.064 251 I CA 0.078 61.311 61.300 -0.111 0.000 1.269 251 I CB 1.028 38.884 38.000 -0.239 0.000 1.418 251 I HN 0.623 nan 8.210 nan 0.000 0.485 252 T N 2.798 117.392 114.554 0.067 0.000 3.092 252 T HA 0.146 4.496 4.350 0.001 0.000 0.258 252 T C 0.522 175.333 174.700 0.184 0.000 1.031 252 T CA -0.344 61.842 62.100 0.144 0.000 0.925 252 T CB -0.263 68.657 68.868 0.088 0.000 1.036 252 T HN 0.356 nan 8.240 nan 0.000 0.544 253 V N 0.064 120.067 119.914 0.148 0.000 3.139 253 V HA 0.429 4.549 4.120 0.001 0.000 0.307 253 V C -2.611 173.542 176.094 0.100 0.000 1.095 253 V CA -1.848 60.518 62.300 0.110 0.000 1.160 253 V CB -0.256 31.611 31.823 0.075 0.000 1.003 253 V HN 0.086 nan 8.190 nan 0.000 0.489 254 P HA 0.073 nan 4.420 nan 0.000 0.268 254 P C 0.585 177.644 177.300 -0.401 0.000 1.208 254 P CA 0.127 63.132 63.100 -0.159 0.000 0.777 254 P CB 0.361 32.011 31.700 -0.084 0.000 0.875 255 Q N 2.056 121.397 119.800 -0.765 0.000 2.096 255 Q HA -0.218 4.122 4.340 0.001 0.000 0.204 255 Q C 1.713 177.494 176.000 -0.366 0.000 0.982 255 Q CA 2.474 57.973 55.803 -0.506 0.000 0.850 255 Q CB -0.362 28.234 28.738 -0.237 0.000 0.901 255 Q HN 0.579 nan 8.270 nan 0.000 0.422 256 S N -1.022 114.149 115.700 -0.882 0.000 2.399 256 S HA -0.100 4.370 4.470 0.001 0.000 0.231 256 S C 1.865 176.288 174.600 -0.296 0.000 1.022 256 S CA 1.253 59.085 58.200 -0.614 0.000 0.983 256 S CB -0.343 62.386 63.200 -0.785 0.000 0.803 256 S HN 0.252 nan 8.310 nan 0.000 0.480 257 V N 1.235 121.016 119.914 -0.222 0.000 2.379 257 V HA 0.042 4.163 4.120 0.001 0.000 0.243 257 V C 2.400 178.469 176.094 -0.041 0.000 1.035 257 V CA 1.262 63.515 62.300 -0.079 0.000 1.035 257 V CB -0.719 31.106 31.823 0.003 0.000 0.673 257 V HN 0.431 nan 8.190 nan 0.000 0.457 258 L N 1.182 122.416 121.223 0.018 0.000 2.042 258 L HA -0.206 4.134 4.340 0.001 0.000 0.210 258 L C 2.100 178.918 176.870 -0.088 0.000 1.076 258 L CA 2.067 57.008 54.840 0.168 0.000 0.749 258 L CB -1.189 41.106 42.059 0.393 0.000 0.893 258 L HN 0.443 nan 8.230 nan 0.000 0.432 259 N N -0.747 117.732 118.700 -0.368 0.000 2.651 259 N HA -0.164 4.577 4.740 0.001 0.000 0.193 259 N C 1.439 176.634 175.510 -0.525 0.000 1.149 259 N CA 0.283 52.737 53.050 -0.994 0.000 0.933 259 N CB -0.023 38.075 38.487 -0.648 0.000 0.974 259 N HN 0.482 nan 8.380 nan 0.000 0.448 260 L N -0.602 120.466 121.223 -0.257 0.000 2.513 260 L HA 0.102 4.442 4.340 0.001 0.000 0.222 260 L C 1.500 178.319 176.870 -0.086 0.000 1.096 260 L CA 0.130 54.882 54.840 -0.146 0.000 0.857 260 L CB 0.184 42.196 42.059 -0.079 0.000 1.026 260 L HN 0.048 nan 8.230 nan 0.000 0.469 261 S N 0.214 115.894 115.700 -0.033 0.000 2.723 261 S HA -0.038 4.433 4.470 0.001 0.000 0.231 261 S C 1.356 175.978 174.600 0.037 0.000 0.967 261 S CA 0.809 59.066 58.200 0.096 0.000 0.958 261 S CB -0.218 63.218 63.200 0.393 0.000 0.778 261 S HN 0.425 nan 8.310 nan 0.000 0.537 262 V N -2.709 117.163 119.914 -0.070 0.000 3.398 262 V HA 0.357 4.478 4.120 0.001 0.000 0.298 262 V C 0.011 176.074 176.094 -0.052 0.000 1.496 262 V CA -0.406 61.858 62.300 -0.060 0.000 1.044 262 V CB -0.218 31.536 31.823 -0.114 0.000 0.880 262 V HN 0.212 nan 8.190 nan 0.000 0.443 263 Q N 1.988 121.755 119.800 -0.055 0.000 2.195 263 Q HA 0.561 4.902 4.340 0.001 0.000 0.250 263 Q C -2.120 173.867 176.000 -0.022 0.000 0.988 263 Q CA -1.778 54.000 55.803 -0.042 0.000 0.911 263 Q CB 1.041 29.747 28.738 -0.054 0.000 1.258 263 Q HN 0.378 nan 8.270 nan 0.000 0.475 268 L N 2.676 123.889 121.223 -0.017 0.000 2.516 268 L HA 0.095 4.436 4.340 0.001 0.000 0.288 268 L C 1.238 178.102 176.870 -0.011 0.000 1.246 268 L CA 0.188 55.015 54.840 -0.022 0.000 0.844 268 L CB 0.202 42.244 42.059 -0.029 0.000 1.106 268 L HN 0.150 nan 8.230 nan 0.000 0.509 269 R N 0.888 121.375 120.500 -0.021 0.000 2.543 269 R HA 0.260 4.600 4.340 0.001 0.000 0.277 269 R C 0.998 177.333 176.300 0.059 0.000 1.074 269 R CA 0.965 57.067 56.100 0.003 0.000 1.076 269 R CB 0.435 30.694 30.300 -0.068 0.000 0.993 269 R HN 0.860 nan 8.270 nan 0.000 0.459 270 G N 3.227 112.142 108.800 0.192 0.000 2.317 270 G HA2 -0.337 3.623 3.960 0.001 0.000 0.227 270 G HA3 -0.337 3.623 3.960 0.001 0.000 0.227 270 G C 0.221 175.182 174.900 0.103 0.000 1.042 270 G CA 0.229 45.496 45.100 0.279 0.000 0.623 270 G HN 0.665 nan 8.290 nan 0.000 0.509 271 R N 1.073 121.602 120.500 0.048 0.000 2.583 271 R HA 0.377 4.717 4.340 0.001 0.000 0.274 271 R C -0.170 176.108 176.300 -0.036 0.000 0.998 271 R CA 0.317 56.419 56.100 0.004 0.000 1.081 271 R CB -0.073 30.222 30.300 -0.008 0.000 0.940 271 R HN 0.357 nan 8.270 nan 0.000 0.413 272 I N 3.451 123.971 120.570 -0.082 0.000 2.389 272 I HA 0.141 4.312 4.170 0.001 0.000 0.288 272 I C -0.394 175.555 176.117 -0.280 0.000 0.999 272 I CA -0.833 60.325 61.300 -0.236 0.000 1.129 272 I CB 1.803 39.551 38.000 -0.420 0.000 1.288 272 I HN 0.592 nan 8.210 nan 0.000 0.444 273 E N 6.239 126.312 120.200 -0.212 0.000 2.180 273 E HA 0.272 4.623 4.350 0.001 0.000 0.283 273 E C -1.355 175.141 176.600 -0.173 0.000 1.061 273 E CA -0.009 56.325 56.400 -0.109 0.000 0.861 273 E CB 0.342 30.011 29.700 -0.052 0.000 1.056 273 E HN 0.218 nan 8.360 nan 0.000 0.407 274 F N 3.596 123.560 119.950 0.023 0.000 2.410 274 F HA 0.298 4.825 4.527 0.001 0.000 0.348 274 F C 0.461 176.276 175.800 0.024 0.000 1.106 274 F CA -0.299 57.720 58.000 0.031 0.000 1.163 274 F CB 1.322 40.360 39.000 0.063 0.000 1.129 274 F HN 0.311 nan 8.300 nan 0.000 0.516 275 Q N 6.557 126.475 119.800 0.197 0.000 2.337 275 Q HA 0.367 4.707 4.340 0.001 0.000 0.264 275 Q C -2.804 173.261 176.000 0.109 0.000 1.007 275 Q CA -2.587 53.285 55.803 0.116 0.000 0.727 275 Q CB 1.800 30.571 28.738 0.054 0.000 1.256 275 Q HN 0.153 nan 8.270 nan 0.000 0.467 276 P HA 0.258 nan 4.420 nan 0.000 0.274 276 P C -2.446 174.930 177.300 0.127 0.000 1.246 276 P CA -1.165 61.990 63.100 0.091 0.000 0.795 276 P CB 0.059 31.795 31.700 0.059 0.000 1.006 277 P HA -0.025 nan 4.420 nan 0.000 0.269 277 P C 0.069 177.399 177.300 0.050 0.000 1.205 277 P CA 0.393 63.557 63.100 0.106 0.000 0.780 277 P CB 0.423 32.164 31.700 0.068 0.000 0.858 278 L N 1.582 122.800 121.223 -0.009 0.000 2.462 278 L HA 0.054 4.395 4.340 0.001 0.000 0.272 278 L C 1.564 178.409 176.870 -0.042 0.000 1.166 278 L CA -0.291 54.481 54.840 -0.114 0.000 0.880 278 L CB -0.248 41.704 42.059 -0.179 0.000 1.142 278 L HN 0.449 nan 8.230 nan 0.000 0.473 279 K N 4.945 125.320 120.400 -0.042 0.000 2.524 279 K HA 0.009 4.329 4.320 0.001 0.000 0.279 279 K C -1.794 174.787 176.600 -0.033 0.000 0.993 279 K CA -1.027 55.243 56.287 -0.028 0.000 1.030 279 K CB 0.204 32.687 32.500 -0.029 0.000 0.891 279 K HN 0.330 nan 8.250 nan 0.000 0.488 280 P HA -0.332 nan 4.420 nan 0.000 0.219 280 P C 1.589 178.872 177.300 -0.028 0.000 1.161 280 P CA 1.376 64.470 63.100 -0.010 0.000 0.909 280 P CB -0.085 31.611 31.700 -0.006 0.000 0.793 281 V N 0.084 119.969 119.914 -0.047 0.000 2.313 281 V HA -0.268 3.852 4.120 0.001 0.000 0.253 281 V C 2.579 178.606 176.094 -0.112 0.000 1.070 281 V CA 1.833 64.090 62.300 -0.071 0.000 1.057 281 V CB -1.042 30.734 31.823 -0.078 0.000 0.653 281 V HN -0.028 nan 8.190 nan 0.000 0.450 282 I N -0.684 119.806 120.570 -0.135 0.000 2.163 282 I HA -0.262 3.909 4.170 0.001 0.000 0.240 282 I C 2.684 178.746 176.117 -0.093 0.000 1.081 282 I CA 1.916 63.090 61.300 -0.209 0.000 1.353 282 I CB -0.573 37.288 38.000 -0.232 0.000 1.054 282 I HN 0.368 nan 8.210 nan 0.000 0.407 283 Q N 0.610 120.442 119.800 0.052 0.000 2.197 283 Q HA -0.242 4.099 4.340 0.001 0.000 0.207 283 Q C 1.650 177.735 176.000 0.141 0.000 0.984 283 Q CA 1.574 57.488 55.803 0.185 0.000 0.869 283 Q CB -0.213 28.581 28.738 0.093 0.000 0.906 283 Q HN 0.599 nan 8.270 nan 0.000 0.426 284 D N 0.518 120.935 120.400 0.027 0.000 2.103 284 D HA -0.086 4.554 4.640 0.001 0.000 0.199 284 D C 1.875 178.155 176.300 -0.033 0.000 0.978 284 D CA 1.089 55.091 54.000 0.004 0.000 0.829 284 D CB -0.280 40.510 40.800 -0.018 0.000 0.981 284 D HN 0.198 nan 8.370 nan 0.000 0.464 285 A N 1.219 123.963 122.820 -0.127 0.000 1.940 285 A HA -0.237 4.083 4.320 0.001 0.000 0.221 285 A C 2.001 179.440 177.584 -0.242 0.000 1.190 285 A CA 1.361 53.261 52.037 -0.227 0.000 0.647 285 A CB -1.465 17.300 19.000 -0.391 0.000 0.821 285 A HN 0.218 nan 8.150 nan 0.000 0.457 286 F N 0.230 120.120 119.950 -0.099 0.000 2.605 286 F HA -0.145 4.382 4.527 0.001 0.000 0.296 286 F C 1.637 177.290 175.800 -0.245 0.000 1.146 286 F CA 1.093 59.009 58.000 -0.140 0.000 1.478 286 F CB 0.005 38.947 39.000 -0.097 0.000 1.107 286 F HN 0.290 nan 8.300 nan 0.000 0.600 287 D N -0.731 119.628 120.400 -0.068 0.000 2.338 287 D HA -0.035 4.605 4.640 0.001 0.000 0.208 287 D C 1.822 177.985 176.300 -0.228 0.000 0.997 287 D CA 0.581 54.487 54.000 -0.158 0.000 0.880 287 D CB -0.005 40.775 40.800 -0.035 0.000 0.980 287 D HN 0.100 nan 8.370 nan 0.000 0.509 288 K N 0.716 121.081 120.400 -0.059 0.000 2.387 288 K HA 0.141 4.462 4.320 0.001 0.000 0.198 288 K C -0.500 176.306 176.600 0.343 0.000 1.022 288 K CA 0.062 56.485 56.287 0.228 0.000 1.128 288 K CB -0.051 32.522 32.500 0.120 0.000 0.853 288 K HN 0.116 nan 8.250 nan 0.000 0.523 289 I N -2.134 118.425 120.570 -0.017 0.000 2.649 289 I HA 0.442 4.612 4.170 0.001 0.000 0.289 289 I C -0.758 175.276 176.117 -0.139 0.000 1.222 289 I CA -0.864 60.505 61.300 0.115 0.000 1.046 289 I CB 1.423 39.466 38.000 0.071 0.000 1.272 289 I HN -0.166 nan 8.210 nan 0.000 0.425 290 H N 3.215 122.410 119.070 0.208 0.000 2.858 290 H HA 0.618 5.174 4.556 0.001 0.000 0.318 290 H C -1.450 174.080 175.328 0.337 0.000 1.419 290 H CA -0.727 55.422 56.048 0.168 0.000 1.373 290 H CB 1.906 31.699 29.762 0.052 0.000 1.915 290 H HN 0.542 nan 8.280 nan 0.000 0.704 291 F N -0.676 119.407 119.950 0.222 0.000 2.556 291 F HA 0.523 5.051 4.527 0.001 0.000 0.327 291 F C 0.736 176.562 175.800 0.043 0.000 1.059 291 F CA -0.364 57.700 58.000 0.108 0.000 0.953 291 F CB 1.826 40.864 39.000 0.064 0.000 1.227 291 F HN 0.526 nan 8.300 nan 0.000 0.478 292 G N 0.216 108.923 108.800 -0.154 0.000 2.601 292 G HA2 0.610 4.570 3.960 0.001 0.000 0.317 292 G HA3 0.610 4.570 3.960 0.001 0.000 0.317 292 G C -1.631 173.149 174.900 -0.199 0.000 1.246 292 G CA -0.585 44.413 45.100 -0.169 0.000 1.012 292 G HN 0.875 nan 8.290 nan 0.000 0.494 293 A N 0.253 122.990 122.820 -0.139 0.000 3.258 293 A HA 0.516 4.837 4.320 0.001 0.000 0.318 293 A C -0.454 177.098 177.584 -0.054 0.000 0.990 293 A CA -0.423 51.570 52.037 -0.073 0.000 0.885 293 A CB 0.084 19.084 19.000 -0.001 0.000 1.090 293 A HN 0.669 nan 8.150 nan 0.000 0.479 294 L N 1.574 122.706 121.223 -0.151 0.000 2.410 294 L HA 0.623 4.963 4.340 0.001 0.000 0.273 294 L C 0.557 177.493 176.870 0.109 0.000 1.152 294 L CA 0.706 55.547 54.840 0.002 0.000 0.855 294 L CB 0.847 42.919 42.059 0.021 0.000 1.129 294 L HN 0.450 nan 8.230 nan 0.000 0.463 295 G N 4.082 112.975 108.800 0.154 0.000 2.537 295 G HA2 0.638 4.598 3.960 0.001 0.000 0.308 295 G HA3 0.638 4.598 3.960 0.001 0.000 0.308 295 G C -1.425 173.575 174.900 0.167 0.000 1.237 295 G CA -0.737 44.476 45.100 0.188 0.000 0.968 295 G HN 0.559 nan 8.290 nan 0.000 0.481 296 K N -0.367 120.118 120.400 0.141 0.000 2.468 296 K HA 0.608 4.929 4.320 0.001 0.000 0.252 296 K C -1.490 175.075 176.600 -0.059 0.000 0.932 296 K CA -0.676 55.649 56.287 0.064 0.000 0.794 296 K CB 3.091 35.665 32.500 0.123 0.000 1.241 296 K HN 0.264 nan 8.250 nan 0.000 0.428 297 V N 4.205 124.020 119.914 -0.166 0.000 2.577 297 V HA 0.410 4.530 4.120 0.001 0.000 0.303 297 V C -0.733 175.107 176.094 -0.423 0.000 1.042 297 V CA -0.934 61.140 62.300 -0.376 0.000 0.872 297 V CB 1.683 33.153 31.823 -0.587 0.000 0.998 297 V HN 0.617 nan 8.190 nan 0.000 0.423 298 I N 4.821 125.089 120.570 -0.504 0.000 2.321 298 I HA 0.450 4.621 4.170 0.001 0.000 0.291 298 I C -0.633 175.147 176.117 -0.561 0.000 0.998 298 I CA -0.400 60.630 61.300 -0.451 0.000 1.227 298 I CB 1.003 38.609 38.000 -0.656 0.000 1.368 298 I HN 0.411 nan 8.210 nan 0.000 0.466 299 F N 4.444 124.314 119.950 -0.132 0.000 2.332 299 F HA 0.337 4.864 4.527 0.001 0.000 0.368 299 F C 0.834 176.450 175.800 -0.307 0.000 1.110 299 F CA -0.611 57.258 58.000 -0.219 0.000 1.087 299 F CB 0.829 39.778 39.000 -0.084 0.000 1.235 299 F HN 0.383 nan 8.300 nan 0.000 0.470 300 E N 4.189 124.238 120.200 -0.252 0.000 2.089 300 E HA 0.296 4.646 4.350 0.001 0.000 0.284 300 E C -0.941 175.475 176.600 -0.306 0.000 1.023 300 E CA -0.392 55.935 56.400 -0.121 0.000 0.819 300 E CB 0.955 30.646 29.700 -0.016 0.000 1.076 300 E HN 0.326 nan 8.360 nan 0.000 0.396 301 F N 1.158 121.164 119.950 0.094 0.000 2.403 301 F HA 0.113 4.640 4.527 0.001 0.000 0.326 301 F C 1.768 177.654 175.800 0.143 0.000 1.081 301 F CA -0.686 57.373 58.000 0.097 0.000 1.041 301 F CB 0.959 40.079 39.000 0.201 0.000 1.234 301 F HN 0.414 nan 8.300 nan 0.000 0.503 302 E N 1.093 121.460 120.200 0.278 0.000 2.051 302 E HA -0.154 4.196 4.350 0.001 0.000 0.192 302 E C -0.423 176.332 176.600 0.257 0.000 0.991 302 E CA 1.676 58.243 56.400 0.280 0.000 0.799 302 E CB 0.038 29.849 29.700 0.184 0.000 0.748 302 E HN 0.689 nan 8.360 nan 0.000 0.449 303 E N -2.223 118.096 120.200 0.199 0.000 2.401 303 E HA 0.238 4.588 4.350 0.001 0.000 0.280 303 E C -1.350 175.143 176.600 -0.178 0.000 1.039 303 E CA -0.792 55.631 56.400 0.039 0.000 0.814 303 E CB 0.434 30.129 29.700 -0.008 0.000 1.275 303 E HN 0.091 nan 8.360 nan 0.000 0.448 304 C N 1.912 120.906 119.300 -0.510 0.000 2.648 304 C HA 0.445 4.906 4.460 0.001 0.000 0.415 304 C C 1.054 175.523 174.990 -0.869 0.000 1.366 304 C CA 0.248 58.448 59.018 -1.364 0.000 1.756 304 C CB -1.411 25.616 27.740 -1.188 0.000 2.549 304 C HN 0.770 nan 8.230 nan 0.000 0.597 305 C N 4.725 123.538 119.300 -0.812 0.000 3.304 305 C HA 0.578 5.038 4.460 0.001 0.000 0.264 305 C C -0.659 174.286 174.990 -0.075 0.000 2.233 305 C CA -0.801 58.052 59.018 -0.275 0.000 1.661 305 C CB -2.143 25.556 27.740 -0.068 0.000 3.383 305 C HN 0.994 nan 8.230 nan 0.000 0.427 306 W N -0.486 120.759 121.300 -0.091 0.000 2.950 306 W HA 0.753 5.413 4.660 0.000 0.000 0.340 306 W C -0.331 176.165 176.519 -0.040 0.000 1.139 306 W CA -1.241 56.061 57.345 -0.072 0.000 1.188 306 W CB 0.415 29.818 29.460 -0.095 0.000 1.426 306 W HN 0.052 nan 8.180 nan 0.000 0.531 307 S N 1.758 117.578 115.700 0.201 0.000 2.531 307 S HA 0.101 4.571 4.470 0.001 0.000 0.279 307 S C 0.168 174.881 174.600 0.189 0.000 1.305 307 S CA -0.295 57.971 58.200 0.109 0.000 1.058 307 S CB -0.100 63.147 63.200 0.078 0.000 0.899 307 S HN 0.492 nan 8.310 nan 0.000 0.493 308 N N 4.492 123.247 118.700 0.092 0.000 3.250 308 N HA 0.051 4.792 4.740 0.001 0.000 0.307 308 N C 0.988 176.536 175.510 0.064 0.000 1.355 308 N CA -0.056 53.062 53.050 0.114 0.000 1.192 308 N CB 0.521 39.037 38.487 0.047 0.000 1.478 308 N HN 0.756 nan 8.380 nan 0.000 0.543 309 E N -0.035 120.200 120.200 0.060 0.000 2.072 309 E HA -0.071 4.279 4.350 0.001 0.000 0.191 309 E C 0.098 176.699 176.600 0.002 0.000 0.985 309 E CA 0.658 57.071 56.400 0.020 0.000 0.801 309 E CB 0.379 30.086 29.700 0.012 0.000 0.750 309 E HN 0.240 nan 8.360 nan 0.000 0.452 310 S N -1.782 113.916 115.700 -0.005 0.000 2.618 310 S HA 0.219 4.689 4.470 0.001 0.000 0.277 310 S C 0.194 174.765 174.600 -0.048 0.000 1.138 310 S CA -0.137 58.037 58.200 -0.043 0.000 0.844 310 S CB 1.705 64.849 63.200 -0.093 0.000 1.127 310 S HN 0.109 nan 8.310 nan 0.000 0.474 311 S N 1.151 116.805 115.700 -0.077 0.000 2.540 311 S HA 0.380 4.850 4.470 0.001 0.000 0.218 311 S C -0.189 174.304 174.600 -0.178 0.000 0.977 311 S CA -0.290 57.863 58.200 -0.079 0.000 0.918 311 S CB -0.145 63.029 63.200 -0.043 0.000 0.806 311 S HN 0.485 nan 8.310 nan 0.000 0.496 312 K N 1.770 121.993 120.400 -0.294 0.000 2.450 312 K HA 0.581 4.902 4.320 0.001 0.000 0.257 312 K C -1.164 175.201 176.600 -0.393 0.000 0.953 312 K CA -0.272 55.733 56.287 -0.470 0.000 0.844 312 K CB 1.581 33.326 32.500 -1.259 0.000 1.103 312 K HN 0.297 nan 8.250 nan 0.000 0.429 313 I N 1.921 122.382 120.570 -0.181 0.000 2.545 313 I HA 0.423 4.594 4.170 0.001 0.000 0.292 313 I C -0.601 175.639 176.117 0.206 0.000 1.040 313 I CA -1.326 59.923 61.300 -0.085 0.000 1.068 313 I CB 2.321 40.193 38.000 -0.213 0.000 1.251 313 I HN 0.033 nan 8.210 nan 0.000 0.424 314 V N 3.431 123.478 119.914 0.220 0.000 2.531 314 V HA 0.419 4.540 4.120 0.001 0.000 0.301 314 V C -0.101 176.212 176.094 0.365 0.000 1.034 314 V CA -0.602 61.951 62.300 0.421 0.000 0.865 314 V CB 2.255 34.412 31.823 0.555 0.000 0.995 314 V HN 0.847 nan 8.190 nan 0.000 0.424 315 T N 3.264 118.026 114.554 0.347 0.000 2.767 315 T HA 0.728 5.078 4.350 0.001 0.000 0.288 315 T C -0.579 174.313 174.700 0.320 0.000 0.963 315 T CA -0.632 61.639 62.100 0.285 0.000 1.019 315 T CB 0.930 69.847 68.868 0.081 0.000 0.923 315 T HN 0.178 nan 8.240 nan 0.000 0.468 316 L N 3.007 124.442 121.223 0.353 0.000 2.371 316 L HA 0.575 4.915 4.340 0.001 0.000 0.272 316 L C 1.054 178.118 176.870 0.323 0.000 1.124 316 L CA -0.286 54.713 54.840 0.266 0.000 0.816 316 L CB -0.028 42.148 42.059 0.196 0.000 1.129 316 L HN 0.972 nan 8.230 nan 0.000 0.448 317 A N 2.929 125.869 122.820 0.199 0.000 2.448 317 A HA 0.196 4.516 4.320 0.001 0.000 0.239 317 A C 0.394 178.089 177.584 0.186 0.000 1.080 317 A CA -0.453 51.709 52.037 0.210 0.000 0.779 317 A CB -0.134 18.922 19.000 0.092 0.000 1.026 317 A HN 0.766 nan 8.150 nan 0.000 0.499 318 N N 0.605 119.405 118.700 0.168 0.000 2.407 318 N HA 0.196 4.937 4.740 0.001 0.000 0.250 318 N C 0.001 175.541 175.510 0.050 0.000 1.236 318 N CA 0.859 53.951 53.050 0.070 0.000 0.879 318 N CB 0.593 39.098 38.487 0.030 0.000 1.088 318 N HN 0.743 nan 8.380 nan 0.000 0.450 319 S N -1.074 114.647 115.700 0.034 0.000 2.526 319 S HA 0.588 5.059 4.470 0.001 0.000 0.293 319 S C -0.235 174.345 174.600 -0.034 0.000 1.092 319 S CA -0.986 57.195 58.200 -0.032 0.000 0.980 319 S CB 1.639 64.783 63.200 -0.093 0.000 1.048 319 S HN 0.493 nan 8.310 nan 0.000 0.483 320 T N 0.113 114.662 114.554 -0.008 0.000 2.771 320 T HA 0.431 4.781 4.350 0.001 0.000 0.281 320 T C 0.518 175.244 174.700 0.043 0.000 0.982 320 T CA -0.810 61.309 62.100 0.031 0.000 0.978 320 T CB 0.861 69.774 68.868 0.074 0.000 0.930 320 T HN 0.467 nan 8.240 nan 0.000 0.447 321 N N 1.812 120.513 118.700 0.002 0.000 2.588 321 N HA -0.096 4.644 4.740 0.001 0.000 0.190 321 N C 1.368 176.890 175.510 0.019 0.000 1.094 321 N CA 0.806 53.852 53.050 -0.006 0.000 0.921 321 N CB -0.028 38.451 38.487 -0.014 0.000 0.959 321 N HN 0.956 nan 8.380 nan 0.000 0.448 322 E N -1.769 118.458 120.200 0.045 0.000 2.465 322 E HA -0.010 4.340 4.350 0.001 0.000 0.195 322 E C 1.084 177.719 176.600 0.058 0.000 1.028 322 E CA -0.293 56.126 56.400 0.031 0.000 0.899 322 E CB -0.336 29.379 29.700 0.025 0.000 1.032 322 E HN 0.233 nan 8.360 nan 0.000 0.468 323 F N 1.092 121.022 119.950 -0.033 0.000 2.387 323 F HA 0.046 4.573 4.527 0.000 0.000 0.294 323 F C 1.613 177.391 175.800 -0.035 0.000 1.093 323 F CA 0.554 58.543 58.000 -0.018 0.000 1.420 323 F CB 0.114 39.109 39.000 -0.008 0.000 1.086 323 F HN -0.101 nan 8.300 nan 0.000 0.531 324 V N 0.955 120.851 119.914 -0.030 0.000 2.233 324 V HA -0.279 3.842 4.120 0.001 0.000 0.247 324 V C 2.453 178.440 176.094 -0.178 0.000 1.050 324 V CA 2.181 64.415 62.300 -0.111 0.000 1.010 324 V CB -0.890 30.911 31.823 -0.036 0.000 0.637 324 V HN 0.228 nan 8.190 nan 0.000 0.444 325 E N 0.219 120.348 120.200 -0.119 0.000 2.114 325 E HA -0.245 4.105 4.350 0.001 0.000 0.199 325 E C 2.114 178.621 176.600 -0.155 0.000 1.008 325 E CA 1.830 58.163 56.400 -0.112 0.000 0.810 325 E CB -0.519 29.137 29.700 -0.073 0.000 0.739 325 E HN 0.631 nan 8.360 nan 0.000 0.456 326 I N 0.493 120.939 120.570 -0.207 0.000 2.179 326 I HA -0.231 3.940 4.170 0.001 0.000 0.242 326 I C 2.456 178.401 176.117 -0.287 0.000 1.088 326 I CA 0.797 61.957 61.300 -0.233 0.000 1.357 326 I CB -0.429 37.413 38.000 -0.263 0.000 1.051 326 I HN -0.052 nan 8.210 nan 0.000 0.409 327 V N 0.908 120.576 119.914 -0.410 0.000 2.295 327 V HA -0.214 3.907 4.120 0.001 0.000 0.246 327 V C 2.367 178.320 176.094 -0.234 0.000 1.049 327 V CA 1.588 63.672 62.300 -0.359 0.000 1.024 327 V CB -0.771 30.814 31.823 -0.397 0.000 0.648 327 V HN 0.376 nan 8.190 nan 0.000 0.447 328 R N 0.465 120.844 120.500 -0.201 0.000 2.377 328 R HA -0.047 4.293 4.340 0.001 0.000 0.207 328 R C 1.294 177.513 176.300 -0.135 0.000 1.075 328 R CA 0.844 56.852 56.100 -0.153 0.000 1.035 328 R CB -0.991 29.235 30.300 -0.125 0.000 0.857 328 R HN 0.713 nan 8.270 nan 0.000 0.475 329 N N -0.376 118.239 118.700 -0.141 0.000 2.594 329 N HA 0.111 4.852 4.740 0.001 0.000 0.237 329 N C -0.013 175.431 175.510 -0.110 0.000 1.057 329 N CA 0.089 53.071 53.050 -0.114 0.000 0.883 329 N CB 0.132 38.559 38.487 -0.101 0.000 1.538 329 N HN -0.014 nan 8.380 nan 0.000 0.451 330 A N 1.698 124.444 122.820 -0.124 0.000 2.616 330 A HA -0.129 4.191 4.320 0.001 0.000 0.234 330 A C 0.714 178.238 177.584 -0.099 0.000 1.024 330 A CA 0.671 52.643 52.037 -0.109 0.000 0.758 330 A CB 0.068 18.994 19.000 -0.123 0.000 0.939 330 A HN 0.369 nan 8.150 nan 0.000 0.510 331 E N 1.043 121.194 120.200 -0.080 0.000 2.400 331 E HA 0.012 4.362 4.350 0.001 0.000 0.195 331 E C 0.372 176.930 176.600 -0.070 0.000 1.012 331 E CA 0.679 57.035 56.400 -0.073 0.000 0.875 331 E CB 0.053 29.718 29.700 -0.058 0.000 0.859 331 E HN 0.885 nan 8.360 nan 0.000 0.498 332 N N -1.128 117.529 118.700 -0.071 0.000 3.373 332 N HA -0.008 4.732 4.740 0.001 0.000 0.275 332 N C 0.082 175.552 175.510 -0.067 0.000 1.489 332 N CA -0.566 52.445 53.050 -0.065 0.000 0.872 332 N CB 0.359 38.816 38.487 -0.050 0.000 1.555 332 N HN -0.138 nan 8.380 nan 0.000 0.500 333 L N -0.062 121.126 121.223 -0.058 0.000 2.549 333 L HA -0.056 4.285 4.340 0.001 0.000 0.229 333 L C 0.547 177.391 176.870 -0.044 0.000 1.158 333 L CA 1.364 56.169 54.840 -0.058 0.000 0.842 333 L CB -0.559 41.471 42.059 -0.049 0.000 0.952 333 L HN 0.510 nan 8.230 nan 0.000 0.452 334 D N -1.134 119.243 120.400 -0.038 0.000 2.323 334 D HA -0.095 4.545 4.640 0.001 0.000 0.218 334 D C 2.092 178.374 176.300 -0.030 0.000 0.973 334 D CA 0.394 54.378 54.000 -0.027 0.000 0.890 334 D CB 0.191 40.978 40.800 -0.022 0.000 1.011 334 D HN 0.106 nan 8.370 nan 0.000 0.499 335 E N 0.464 120.639 120.200 -0.041 0.000 2.072 335 E HA -0.105 4.246 4.350 0.001 0.000 0.191 335 E C 2.050 178.618 176.600 -0.052 0.000 0.985 335 E CA 0.429 56.802 56.400 -0.045 0.000 0.801 335 E CB -0.190 29.477 29.700 -0.054 0.000 0.750 335 E HN 0.209 nan 8.360 nan 0.000 0.452 336 L N 1.860 123.043 121.223 -0.066 0.000 2.056 336 L HA -0.147 4.194 4.340 0.001 0.000 0.207 336 L C 2.002 178.847 176.870 -0.042 0.000 1.078 336 L CA 1.961 56.753 54.840 -0.080 0.000 0.749 336 L CB -0.533 41.459 42.059 -0.111 0.000 0.901 336 L HN -0.023 nan 8.230 nan 0.000 0.433 337 D N -1.367 119.017 120.400 -0.028 0.000 2.133 337 D HA -0.199 4.442 4.640 0.001 0.000 0.195 337 D C 1.992 178.303 176.300 0.018 0.000 0.997 337 D CA 1.761 55.766 54.000 0.007 0.000 0.840 337 D CB 0.061 40.862 40.800 0.003 0.000 0.947 337 D HN 0.389 nan 8.370 nan 0.000 0.452 338 S N -0.938 114.762 115.700 -0.000 0.000 2.377 338 S HA 0.008 4.479 4.470 0.001 0.000 0.223 338 S C 1.998 176.597 174.600 -0.001 0.000 1.030 338 S CA 0.591 58.791 58.200 0.001 0.000 0.970 338 S CB -0.196 62.999 63.200 -0.007 0.000 0.830 338 S HN 0.322 nan 8.310 nan 0.000 0.473 339 M N 0.989 120.580 119.600 -0.015 0.000 2.346 339 M HA -0.059 4.421 4.480 0.001 0.000 0.263 339 M C 1.716 178.015 176.300 -0.001 0.000 1.064 339 M CA 1.106 56.393 55.300 -0.021 0.000 1.083 339 M CB -0.535 32.034 32.600 -0.051 0.000 1.399 339 M HN 0.276 nan 8.290 nan 0.000 0.435 340 L N -0.293 120.943 121.223 0.022 0.000 2.044 340 L HA -0.127 4.213 4.340 0.001 0.000 0.205 340 L C 0.918 177.822 176.870 0.056 0.000 1.075 340 L CA 0.929 55.812 54.840 0.072 0.000 0.747 340 L CB -0.350 41.793 42.059 0.141 0.000 0.903 340 L HN 0.224 nan 8.230 nan 0.000 0.435 341 E N 1.734 121.957 120.200 0.038 0.000 2.053 341 E HA 0.104 4.454 4.350 0.001 0.000 0.297 341 E C -0.365 176.247 176.600 0.019 0.000 1.173 341 E CA 0.119 56.533 56.400 0.024 0.000 1.219 341 E CB 0.062 29.773 29.700 0.018 0.000 1.103 341 E HN 0.319 nan 8.360 nan 0.000 0.476 350 S N -0.485 115.241 115.700 0.042 0.000 2.912 350 S HA -0.003 4.468 4.470 0.001 0.000 0.857 350 S C -1.227 173.419 174.600 0.077 0.000 0.919 350 S CA -0.109 58.123 58.200 0.052 0.000 1.424 350 S CB -0.678 62.551 63.200 0.048 0.000 1.019 350 S HN 1.191 nan 8.310 nan 0.000 0.231 351 V N 6.225 126.198 119.914 0.099 0.000 2.376 351 V HA 0.754 4.874 4.120 0.001 0.000 0.287 351 V C 0.768 176.991 176.094 0.216 0.000 1.015 351 V CA 0.207 62.599 62.300 0.152 0.000 0.834 351 V CB 1.322 33.244 31.823 0.164 0.000 1.001 351 V HN 1.209 nan 8.190 nan 0.000 0.428 352 T N 0.017 114.638 114.554 0.112 0.000 2.807 352 T HA 0.245 4.595 4.350 0.001 0.000 0.277 352 T C 1.514 175.952 174.700 -0.437 0.000 1.006 352 T CA 0.069 62.082 62.100 -0.146 0.000 1.006 352 T CB 1.329 70.144 68.868 -0.088 0.000 1.274 352 T HN 0.748 nan 8.240 nan 0.000 0.569 353 C N -1.863 116.836 119.300 -1.002 0.000 2.419 353 C HA 0.076 4.537 4.460 0.001 0.000 0.281 353 C C 1.875 176.603 174.990 -0.436 0.000 1.336 353 C CA -0.135 58.341 59.018 -0.903 0.000 1.770 353 C CB -2.087 25.046 27.740 -1.012 0.000 1.929 353 C HN 0.816 nan 8.230 nan 0.000 0.509 354 W N 1.554 122.757 121.300 -0.161 0.000 3.345 354 W HA 0.240 4.901 4.660 0.001 0.000 0.282 354 W C 2.196 178.712 176.519 -0.005 0.000 1.302 354 W CA 0.110 57.426 57.345 -0.049 0.000 1.724 354 W CB -0.273 29.158 29.460 -0.048 0.000 1.104 354 W HN 0.177 nan 8.180 nan 0.000 0.694 355 S N 0.377 116.179 115.700 0.170 0.000 2.562 355 S HA -0.023 4.448 4.470 0.001 0.000 0.221 355 S C 0.757 175.443 174.600 0.143 0.000 0.975 355 S CA 0.448 58.741 58.200 0.156 0.000 0.918 355 S CB -0.199 63.089 63.200 0.147 0.000 0.772 355 S HN 0.273 nan 8.310 nan 0.000 0.531 356 Q N -0.072 119.810 119.800 0.136 0.000 2.630 356 Q HA 0.430 4.770 4.340 0.001 0.000 0.295 356 Q C -3.552 172.512 176.000 0.106 0.000 0.944 356 Q CA -2.227 53.637 55.803 0.101 0.000 0.766 356 Q CB 0.709 29.516 28.738 0.115 0.000 1.471 356 Q HN -0.079 nan 8.270 nan 0.000 0.416 357 P HA 0.422 nan 4.420 nan 0.000 0.278 357 P C -0.728 176.672 177.300 0.166 0.000 1.238 357 P CA -0.351 62.823 63.100 0.123 0.000 0.794 357 P CB 0.968 32.709 31.700 0.068 0.000 0.955 358 L N 2.804 124.158 121.223 0.219 0.000 2.406 358 L HA 0.397 4.737 4.340 0.001 0.000 0.272 358 L C -0.333 176.682 176.870 0.242 0.000 0.980 358 L CA -0.960 53.987 54.840 0.179 0.000 0.831 358 L CB 1.671 43.847 42.059 0.194 0.000 1.253 358 L HN 0.283 nan 8.230 nan 0.000 0.406 359 F N 4.340 124.279 119.950 -0.020 0.000 2.404 359 F HA 0.483 5.011 4.527 0.001 0.000 0.358 359 F C -0.959 174.748 175.800 -0.155 0.000 1.120 359 F CA -0.962 57.070 58.000 0.053 0.000 1.144 359 F CB 0.361 39.465 39.000 0.173 0.000 1.133 359 F HN 0.100 nan 8.300 nan 0.000 0.495 360 F N 5.751 125.497 119.950 -0.339 0.000 2.411 360 F HA 0.435 4.962 4.527 0.001 0.000 0.352 360 F C -0.275 175.080 175.800 -0.741 0.000 1.123 360 F CA -0.960 56.712 58.000 -0.548 0.000 1.044 360 F CB 1.503 40.161 39.000 -0.570 0.000 1.135 360 F HN 0.050 nan 8.300 nan 0.000 0.461 361 V N 4.164 123.792 119.914 -0.476 0.000 2.368 361 V HA 0.089 4.209 4.120 0.001 0.000 0.266 361 V C 0.287 176.317 176.094 -0.108 0.000 1.045 361 V CA -0.716 61.395 62.300 -0.315 0.000 0.899 361 V CB 0.877 32.611 31.823 -0.149 0.000 1.006 361 V HN 0.760 nan 8.190 nan 0.000 0.470 362 N N 5.315 123.945 118.700 -0.116 0.000 2.549 362 N HA 0.135 4.876 4.740 0.001 0.000 0.267 362 N C 1.084 176.717 175.510 0.205 0.000 1.182 362 N CA -0.456 52.676 53.050 0.137 0.000 1.019 362 N CB 0.391 38.932 38.487 0.090 0.000 1.380 362 N HN 0.698 nan 8.380 nan 0.000 0.505 363 L N 1.830 123.200 121.223 0.246 0.000 2.349 363 L HA -0.168 4.172 4.340 0.001 0.000 0.220 363 L C 2.530 179.499 176.870 0.165 0.000 1.130 363 L CA 0.524 55.441 54.840 0.127 0.000 0.791 363 L CB -0.423 41.750 42.059 0.189 0.000 0.918 363 L HN 0.546 nan 8.230 nan 0.000 0.444 364 S N 0.440 116.320 115.700 0.299 0.000 2.368 364 S HA -0.252 4.218 4.470 0.001 0.000 0.225 364 S C 2.086 176.751 174.600 0.110 0.000 1.030 364 S CA 1.838 60.169 58.200 0.217 0.000 0.999 364 S CB 0.012 63.393 63.200 0.302 0.000 0.844 364 S HN 0.486 nan 8.310 nan 0.000 0.459 365 K N 0.491 120.967 120.400 0.125 0.000 2.116 365 K HA 0.016 4.337 4.320 0.001 0.000 0.203 365 K C 1.973 178.594 176.600 0.035 0.000 1.052 365 K CA 1.633 57.959 56.287 0.065 0.000 0.952 365 K CB -0.303 32.237 32.500 0.068 0.000 0.729 365 K HN 0.488 nan 8.250 nan 0.000 0.446 366 S N -1.197 114.512 115.700 0.015 0.000 2.535 366 S HA -0.001 4.469 4.470 0.001 0.000 0.214 366 S C 1.235 175.829 174.600 -0.011 0.000 0.980 366 S CA 0.513 58.709 58.200 -0.008 0.000 0.907 366 S CB 0.514 63.675 63.200 -0.066 0.000 0.790 366 S HN 0.468 nan 8.310 nan 0.000 0.510 367 T N -4.106 110.446 114.554 -0.003 0.000 3.252 367 T HA 0.477 4.827 4.350 0.001 0.000 0.295 367 T C 1.236 175.953 174.700 0.028 0.000 0.897 367 T CA 0.496 62.608 62.100 0.019 0.000 0.905 367 T CB -0.116 68.765 68.868 0.022 0.000 1.202 367 T HN 1.170 nan 8.240 nan 0.000 0.592 368 G N 1.133 109.952 108.800 0.031 0.000 2.198 368 G HA2 -0.180 3.780 3.960 0.001 0.000 0.260 368 G HA3 -0.180 3.780 3.960 0.001 0.000 0.260 368 G C -0.076 174.846 174.900 0.037 0.000 1.025 368 G CA 0.198 45.311 45.100 0.021 0.000 0.769 368 G HN 0.948 nan 8.290 nan 0.000 0.507 369 V N 0.258 120.223 119.914 0.085 0.000 2.409 369 V HA 0.696 4.816 4.120 0.001 0.000 0.291 369 V C 0.961 177.191 176.094 0.226 0.000 1.020 369 V CA -0.232 62.145 62.300 0.129 0.000 0.848 369 V CB 1.667 33.569 31.823 0.132 0.000 0.990 369 V HN 1.051 nan 8.190 nan 0.000 0.430 370 A N 4.136 127.089 122.820 0.220 0.000 3.004 370 A HA 0.432 4.752 4.320 0.001 0.000 0.254 370 A C 0.668 178.578 177.584 0.543 0.000 1.857 370 A CA 0.377 52.617 52.037 0.338 0.000 1.460 370 A CB -0.608 18.526 19.000 0.223 0.000 0.963 370 A HN 0.680 nan 8.150 nan 0.000 0.624 371 S N -0.729 115.272 115.700 0.501 0.000 2.661 371 S HA 0.837 5.308 4.470 0.001 0.000 0.285 371 S C -1.223 173.676 174.600 0.498 0.000 1.138 371 S CA -0.446 58.035 58.200 0.468 0.000 0.855 371 S CB 1.098 64.601 63.200 0.505 0.000 1.136 371 S HN 0.280 nan 8.310 nan 0.000 0.484 372 F N 1.769 121.935 119.950 0.359 0.000 2.529 372 F HA 0.524 5.051 4.527 0.001 0.000 0.320 372 F C -0.087 175.839 175.800 0.209 0.000 1.118 372 F CA -1.328 56.831 58.000 0.266 0.000 0.915 372 F CB 1.635 40.838 39.000 0.339 0.000 1.161 372 F HN 0.382 nan 8.300 nan 0.000 0.445 373 M N 6.227 125.996 119.600 0.281 0.000 2.047 373 M HA 0.424 4.904 4.480 0.001 0.000 0.342 373 M C -1.321 174.956 176.300 -0.039 0.000 1.058 373 M CA -0.177 55.189 55.300 0.110 0.000 0.991 373 M CB 0.858 33.530 32.600 0.121 0.000 1.474 373 M HN 0.667 nan 8.290 nan 0.000 0.419 374 M N 5.148 124.685 119.600 -0.105 0.000 2.238 374 M HA 0.415 4.895 4.480 0.001 0.000 0.350 374 M C -1.941 174.227 176.300 -0.220 0.000 1.138 374 M CA -0.762 54.273 55.300 -0.442 0.000 1.040 374 M CB 1.060 33.207 32.600 -0.755 0.000 1.639 374 M HN 0.663 nan 8.290 nan 0.000 0.451 375 L N 6.481 127.629 121.223 -0.125 0.000 2.309 375 L HA 0.604 4.944 4.340 0.001 0.000 0.282 375 L C 0.009 176.948 176.870 0.116 0.000 1.036 375 L CA -0.047 54.864 54.840 0.119 0.000 0.806 375 L CB 1.743 44.025 42.059 0.372 0.000 1.220 375 L HN 0.791 nan 8.230 nan 0.000 0.429 376 M N 1.709 121.394 119.600 0.143 0.000 2.755 376 M HA 0.788 5.269 4.480 0.001 0.000 0.298 376 M C -1.255 175.136 176.300 0.152 0.000 1.251 376 M CA -0.780 54.614 55.300 0.157 0.000 0.817 376 M CB 2.404 35.112 32.600 0.179 0.000 1.760 376 M HN 0.520 nan 8.290 nan 0.000 0.473 377 Q N 1.348 121.229 119.800 0.135 0.000 2.605 377 Q HA 0.777 5.117 4.340 0.001 0.000 0.296 377 Q C -1.524 174.519 176.000 0.072 0.000 1.056 377 Q CA -0.752 55.113 55.803 0.104 0.000 0.778 377 Q CB 1.527 30.334 28.738 0.116 0.000 1.497 377 Q HN 0.963 nan 8.270 nan 0.000 0.443 378 A N 1.759 124.606 122.820 0.045 0.000 2.462 378 A HA 0.412 4.733 4.320 0.001 0.000 0.243 378 A C -1.628 175.980 177.584 0.040 0.000 1.076 378 A CA -0.685 51.359 52.037 0.011 0.000 0.773 378 A CB -0.156 18.848 19.000 0.005 0.000 1.010 378 A HN 0.714 nan 8.150 nan 0.000 0.493 379 P HA -0.055 nan 4.420 nan 0.000 0.235 379 P C 1.522 178.709 177.300 -0.189 0.000 1.177 379 P CA 0.065 63.104 63.100 -0.100 0.000 0.785 379 P CB 0.127 31.793 31.700 -0.057 0.000 0.885 380 L N 0.793 122.015 121.223 -0.002 0.000 2.051 380 L HA -0.165 4.175 4.340 0.001 0.000 0.214 380 L C 1.809 178.686 176.870 0.013 0.000 1.076 380 L CA 2.399 57.280 54.840 0.068 0.000 0.758 380 L CB -1.639 40.523 42.059 0.172 0.000 0.890 380 L HN 0.021 nan 8.230 nan 0.000 0.433 381 T N 0.936 115.501 114.554 0.018 0.000 2.570 381 T HA -0.260 4.090 4.350 0.001 0.000 0.266 381 T C 1.627 176.315 174.700 -0.019 0.000 1.071 381 T CA 2.082 64.201 62.100 0.032 0.000 1.172 381 T CB -0.538 68.355 68.868 0.042 0.000 0.864 381 T HN 0.539 nan 8.240 nan 0.000 0.421 382 N N 0.679 119.322 118.700 -0.096 0.000 2.091 382 N HA -0.205 4.535 4.740 0.001 0.000 0.193 382 N C 1.725 177.196 175.510 -0.066 0.000 1.021 382 N CA 1.746 54.729 53.050 -0.112 0.000 0.862 382 N CB -0.522 37.847 38.487 -0.197 0.000 1.018 382 N HN 0.641 nan 8.380 nan 0.000 0.429 383 H N 0.633 119.686 119.070 -0.028 0.000 2.299 383 H HA 0.057 4.613 4.556 0.001 0.000 0.302 383 H C 2.176 177.438 175.328 -0.109 0.000 1.078 383 H CA 0.529 56.532 56.048 -0.074 0.000 1.323 383 H CB 0.162 29.865 29.762 -0.099 0.000 1.381 383 H HN 0.083 nan 8.280 nan 0.000 0.498 384 I N 1.427 122.001 120.570 0.006 0.000 2.286 384 I HA -0.200 3.971 4.170 0.001 0.000 0.248 384 I C 1.985 178.102 176.117 -0.000 0.000 1.115 384 I CA 1.365 62.647 61.300 -0.030 0.000 1.392 384 I CB -0.859 37.187 38.000 0.075 0.000 1.065 384 I HN 0.406 nan 8.210 nan 0.000 0.418 385 E N 0.358 120.559 120.200 0.003 0.000 2.153 385 E HA -0.150 4.200 4.350 0.001 0.000 0.194 385 E C 2.293 178.876 176.600 -0.028 0.000 0.988 385 E CA 1.259 57.646 56.400 -0.021 0.000 0.811 385 E CB 0.036 29.723 29.700 -0.021 0.000 0.746 385 E HN 0.365 nan 8.360 nan 0.000 0.466 386 S N 1.123 116.816 115.700 -0.010 0.000 2.370 386 S HA -0.153 4.318 4.470 0.001 0.000 0.226 386 S C 1.861 176.447 174.600 -0.023 0.000 1.033 386 S CA 1.194 59.388 58.200 -0.010 0.000 1.011 386 S CB -0.245 62.965 63.200 0.018 0.000 0.852 386 S HN 0.400 nan 8.310 nan 0.000 0.457 387 I N 0.776 121.329 120.570 -0.028 0.000 3.874 387 I HA 0.298 4.468 4.170 0.001 0.000 0.331 387 I C 1.585 177.688 176.117 -0.023 0.000 1.489 387 I CA -0.408 60.875 61.300 -0.029 0.000 1.187 387 I CB -0.095 37.881 38.000 -0.039 0.000 1.150 387 I HN 0.104 nan 8.210 nan 0.000 0.412 388 R N 0.830 121.309 120.500 -0.034 0.000 2.117 388 R HA -0.152 4.189 4.340 0.001 0.000 0.243 388 R C 1.032 177.305 176.300 -0.044 0.000 1.143 388 R CA 1.617 57.689 56.100 -0.047 0.000 0.968 388 R CB -0.586 29.671 30.300 -0.072 0.000 0.863 388 R HN 0.420 nan 8.270 nan 0.000 0.444 389 E N 0.885 121.063 120.200 -0.037 0.000 2.427 389 E HA -0.068 4.283 4.350 0.001 0.000 0.196 389 E C -0.078 176.512 176.600 -0.016 0.000 1.028 389 E CA 0.468 56.850 56.400 -0.031 0.000 0.864 389 E CB -0.109 29.573 29.700 -0.030 0.000 0.813 389 E HN 0.359 nan 8.360 nan 0.000 0.514 390 D N 1.433 121.830 120.400 -0.005 0.000 2.564 390 D HA 0.016 4.656 4.640 0.001 0.000 0.226 390 D C 0.797 177.122 176.300 0.041 0.000 1.149 390 D CA -0.185 53.824 54.000 0.014 0.000 0.994 390 D CB 0.304 41.114 40.800 0.015 0.000 1.029 390 D HN -0.238 nan 8.370 nan 0.000 0.517 391 K N 1.369 121.787 120.400 0.030 0.000 2.063 391 K HA -0.143 4.177 4.320 0.001 0.000 0.208 391 K C 1.503 178.176 176.600 0.123 0.000 1.048 391 K CA 0.876 57.195 56.287 0.053 0.000 0.928 391 K CB 0.097 32.597 32.500 0.001 0.000 0.713 391 K HN 0.443 nan 8.250 nan 0.000 0.442 392 E N 0.668 120.928 120.200 0.099 0.000 2.106 392 E HA -0.177 4.174 4.350 0.001 0.000 0.192 392 E C 2.156 178.880 176.600 0.208 0.000 0.984 392 E CA 0.818 57.308 56.400 0.150 0.000 0.806 392 E CB -0.071 29.684 29.700 0.091 0.000 0.750 392 E HN 0.174 nan 8.360 nan 0.000 0.458 393 R N 1.076 121.663 120.500 0.145 0.000 2.090 393 R HA -0.036 4.305 4.340 0.001 0.000 0.228 393 R C 2.324 178.736 176.300 0.186 0.000 1.110 393 R CA 0.846 57.026 56.100 0.133 0.000 0.973 393 R CB -0.494 29.848 30.300 0.069 0.000 0.869 393 R HN 0.113 nan 8.270 nan 0.000 0.440 394 L N -0.503 120.850 121.223 0.217 0.000 2.027 394 L HA -0.078 4.262 4.340 0.001 0.000 0.206 394 L C 2.243 179.414 176.870 0.502 0.000 1.074 394 L CA 1.466 56.507 54.840 0.336 0.000 0.745 394 L CB -0.547 41.669 42.059 0.263 0.000 0.898 394 L HN 0.209 nan 8.230 nan 0.000 0.433 395 F N -0.087 120.037 119.950 0.290 0.000 2.171 395 F HA -0.257 4.270 4.527 0.001 0.000 0.300 395 F C 2.711 178.667 175.800 0.260 0.000 1.090 395 F CA 1.656 59.838 58.000 0.303 0.000 1.293 395 F CB -0.091 39.012 39.000 0.171 0.000 1.013 395 F HN -0.073 nan 8.300 nan 0.000 0.486 396 S N -0.346 115.448 115.700 0.158 0.000 2.383 396 S HA -0.197 4.273 4.470 0.001 0.000 0.227 396 S C 1.856 176.443 174.600 -0.023 0.000 1.026 396 S CA 1.244 59.456 58.200 0.020 0.000 0.981 396 S CB -0.709 62.572 63.200 0.134 0.000 0.818 396 S HN 0.529 nan 8.310 nan 0.000 0.472 397 F N 0.668 120.552 119.950 -0.109 0.000 2.206 397 F HA 0.111 4.639 4.527 0.001 0.000 0.298 397 F C 1.245 176.799 175.800 -0.410 0.000 1.090 397 F CA 1.261 59.098 58.000 -0.272 0.000 1.323 397 F CB -0.165 38.611 39.000 -0.373 0.000 1.028 397 F HN 0.230 nan 8.300 nan 0.000 0.492 398 F N -0.295 119.662 119.950 0.013 0.000 2.749 398 F HA 0.105 4.632 4.527 0.001 0.000 0.300 398 F C 2.305 177.911 175.800 -0.324 0.000 1.103 398 F CA 0.236 58.165 58.000 -0.119 0.000 1.342 398 F CB -0.603 38.529 39.000 0.220 0.000 1.098 398 F HN -0.006 nan 8.300 nan 0.000 0.586 399 Q N 1.269 120.877 119.800 -0.321 0.000 2.112 399 Q HA -0.197 4.144 4.340 0.001 0.000 0.206 399 Q C -0.832 175.018 176.000 -0.250 0.000 0.987 399 Q CA 2.006 57.525 55.803 -0.473 0.000 0.858 399 Q CB -0.922 27.400 28.738 -0.694 0.000 0.905 399 Q HN 0.213 nan 8.270 nan 0.000 0.420 400 P HA -0.182 nan 4.420 nan 0.000 0.213 400 P C 1.540 178.784 177.300 -0.094 0.000 1.170 400 P CA 2.273 65.337 63.100 -0.060 0.000 0.898 400 P CB -0.309 31.401 31.700 0.016 0.000 0.787 401 V N -2.942 116.719 119.914 -0.422 0.000 2.427 401 V HA -0.197 3.923 4.120 0.001 0.000 0.248 401 V C 2.286 178.128 176.094 -0.421 0.000 1.051 401 V CA 1.586 63.532 62.300 -0.589 0.000 1.048 401 V CB -1.924 29.402 31.823 -0.829 0.000 0.666 401 V HN -0.002 nan 8.190 nan 0.000 0.456 402 L N 0.604 121.609 121.223 -0.363 0.000 2.042 402 L HA -0.150 4.191 4.340 0.001 0.000 0.210 402 L C 2.791 179.541 176.870 -0.200 0.000 1.076 402 L CA 2.102 56.739 54.840 -0.339 0.000 0.749 402 L CB -0.771 41.145 42.059 -0.238 0.000 0.893 402 L HN 0.389 nan 8.230 nan 0.000 0.432 403 N N -0.189 118.442 118.700 -0.115 0.000 2.216 403 N HA -0.171 4.569 4.740 0.001 0.000 0.183 403 N C 1.792 177.286 175.510 -0.027 0.000 1.017 403 N CA 0.879 53.906 53.050 -0.039 0.000 0.861 403 N CB -0.136 38.354 38.487 0.006 0.000 0.986 403 N HN 0.085 nan 8.380 nan 0.000 0.428 404 K N 1.329 121.731 120.400 0.003 0.000 2.147 404 K HA 0.084 4.404 4.320 0.001 0.000 0.205 404 K C 1.851 178.436 176.600 -0.025 0.000 1.049 404 K CA 0.664 56.998 56.287 0.078 0.000 0.936 404 K CB -0.342 32.359 32.500 0.336 0.000 0.722 404 K HN 0.157 nan 8.250 nan 0.000 0.446 405 I N -0.088 120.384 120.570 -0.164 0.000 2.162 405 I HA -0.266 3.904 4.170 0.001 0.000 0.238 405 I C 2.059 178.079 176.117 -0.162 0.000 1.076 405 I CA 0.981 62.133 61.300 -0.247 0.000 1.353 405 I CB -0.236 37.461 38.000 -0.504 0.000 1.063 405 I HN 0.116 nan 8.210 nan 0.000 0.408 406 M N 0.454 119.963 119.600 -0.152 0.000 2.143 406 M HA -0.279 4.201 4.480 0.001 0.000 0.258 406 M C 2.280 178.571 176.300 -0.015 0.000 1.071 406 M CA 1.830 57.080 55.300 -0.083 0.000 1.088 406 M CB -1.320 31.235 32.600 -0.074 0.000 1.360 406 M HN 0.179 nan 8.290 nan 0.000 0.404 407 K N 0.175 120.568 120.400 -0.012 0.000 2.002 407 K HA -0.119 4.201 4.320 0.001 0.000 0.209 407 K C 2.069 178.675 176.600 0.010 0.000 1.048 407 K CA 1.987 58.280 56.287 0.010 0.000 0.930 407 K CB -0.309 32.200 32.500 0.015 0.000 0.714 407 K HN 0.338 nan 8.250 nan 0.000 0.438 408 C N 0.745 120.043 119.300 -0.003 0.000 2.410 408 C HA -0.028 4.432 4.460 0.001 0.000 0.281 408 C C 1.770 176.764 174.990 0.006 0.000 1.318 408 C CA 0.433 59.451 59.018 -0.000 0.000 1.776 408 C CB -0.815 26.919 27.740 -0.011 0.000 1.942 408 C HN 0.468 nan 8.230 nan 0.000 0.508 409 L N 0.703 121.931 121.223 0.008 0.000 2.783 409 L HA 0.138 4.479 4.340 0.001 0.000 0.236 409 L C -0.110 176.813 176.870 0.088 0.000 1.225 409 L CA 0.244 55.117 54.840 0.055 0.000 1.026 409 L CB -0.695 41.408 42.059 0.073 0.000 1.314 409 L HN 0.360 nan 8.230 nan 0.000 0.489 410 D N 0.666 121.099 120.400 0.055 0.000 2.697 410 D HA -0.181 4.460 4.640 0.001 0.000 0.235 410 D C 0.312 176.651 176.300 0.065 0.000 1.167 410 D CA 0.923 54.953 54.000 0.051 0.000 0.656 410 D CB -0.437 40.389 40.800 0.044 0.000 1.025 410 D HN 0.414 nan 8.370 nan 0.000 0.419 411 S N -1.096 114.645 115.700 0.068 0.000 2.851 411 S HA 0.530 5.000 4.470 0.001 0.000 0.313 411 S C -0.552 174.080 174.600 0.054 0.000 1.163 411 S CA -0.603 57.644 58.200 0.078 0.000 0.850 411 S CB 2.479 65.761 63.200 0.136 0.000 1.245 411 S HN 0.077 nan 8.310 nan 0.000 0.558 412 E N 0.797 121.033 120.200 0.059 0.000 2.285 412 E HA 0.468 4.819 4.350 0.001 0.000 0.254 412 E C -1.322 175.312 176.600 0.057 0.000 1.011 412 E CA -0.488 55.945 56.400 0.054 0.000 0.873 412 E CB 0.504 30.239 29.700 0.058 0.000 1.229 412 E HN 0.518 nan 8.360 nan 0.000 0.422 413 D N -0.090 120.349 120.400 0.065 0.000 2.414 413 D HA 0.087 4.727 4.640 0.001 0.000 0.242 413 D C -0.513 175.863 176.300 0.126 0.000 1.129 413 D CA -0.033 54.016 54.000 0.082 0.000 0.885 413 D CB 0.607 41.457 40.800 0.083 0.000 1.198 413 D HN 0.006 nan 8.370 nan 0.000 0.437 414 V N 3.281 123.299 119.914 0.174 0.000 2.655 414 V HA 0.029 4.149 4.120 0.001 0.000 0.300 414 V C 0.881 177.149 176.094 0.290 0.000 1.044 414 V CA -0.014 62.455 62.300 0.282 0.000 1.095 414 V CB 0.264 32.343 31.823 0.427 0.000 0.952 414 V HN 0.341 nan 8.190 nan 0.000 0.485 415 I N 3.551 124.243 120.570 0.202 0.000 2.499 415 I HA 0.271 4.441 4.170 0.001 0.000 0.296 415 I C 0.204 176.288 176.117 -0.056 0.000 0.992 415 I CA -0.374 60.982 61.300 0.093 0.000 1.297 415 I CB 1.327 39.365 38.000 0.062 0.000 1.410 415 I HN 0.542 nan 8.210 nan 0.000 0.507 416 D N 4.513 124.779 120.400 -0.225 0.000 2.441 416 D HA 0.217 4.857 4.640 0.001 0.000 0.221 416 D C 0.545 176.678 176.300 -0.279 0.000 1.156 416 D CA -0.199 53.498 54.000 -0.505 0.000 0.896 416 D CB 1.131 41.514 40.800 -0.695 0.000 1.028 416 D HN 0.704 nan 8.370 nan 0.000 0.509 417 G N 3.169 111.827 108.800 -0.237 0.000 3.605 417 G HA2 0.045 4.005 3.960 0.001 0.000 0.277 417 G HA3 0.045 4.005 3.960 0.001 0.000 0.277 417 G C 1.219 176.002 174.900 -0.195 0.000 1.093 417 G CA -0.238 44.761 45.100 -0.169 0.000 0.821 417 G HN 0.465 nan 8.290 nan 0.000 0.532 418 M N -0.244 119.220 119.600 -0.226 0.000 2.549 418 M HA 0.122 4.602 4.480 0.001 0.000 0.260 418 M C 1.430 177.651 176.300 -0.131 0.000 1.076 418 M CA 0.704 55.887 55.300 -0.196 0.000 1.090 418 M CB 0.179 32.664 32.600 -0.192 0.000 1.418 418 M HN 0.104 nan 8.290 nan 0.000 0.486 419 R N 0.775 121.209 120.500 -0.110 0.000 2.740 419 R HA 0.437 4.777 4.340 0.001 0.000 0.282 419 R C -2.278 173.992 176.300 -0.050 0.000 0.969 419 R CA -1.548 54.511 56.100 -0.069 0.000 0.918 419 R CB 1.161 31.425 30.300 -0.059 0.000 1.175 419 R HN -0.112 nan 8.270 nan 0.000 0.464 423 N N -1.082 117.620 118.700 0.004 0.000 2.152 423 N HA 0.229 4.969 4.740 0.001 0.000 0.309 423 N C 0.547 176.064 175.510 0.013 0.000 1.006 423 N CA 0.908 53.962 53.050 0.007 0.000 0.678 423 N CB 1.303 39.795 38.487 0.008 0.000 2.012 423 N HN 0.382 nan 8.380 nan 0.000 0.795 424 I N 0.567 121.147 120.570 0.016 0.000 3.992 424 I HA -0.342 3.829 4.170 0.001 0.000 0.132 424 I C 0.799 176.927 176.117 0.019 0.000 0.376 424 I CA 1.418 62.728 61.300 0.017 0.000 1.243 424 I CB -1.020 36.988 38.000 0.013 0.000 1.098 424 I HN 0.193 nan 8.210 nan 0.000 0.198 425 A N 0.828 123.661 122.820 0.021 0.000 2.476 425 A HA 0.257 4.578 4.320 0.001 0.000 0.263 425 A C 1.125 178.728 177.584 0.031 0.000 1.342 425 A CA 0.063 52.114 52.037 0.024 0.000 0.926 425 A CB -0.381 18.634 19.000 0.024 0.000 1.019 425 A HN 0.503 nan 8.150 nan 0.000 0.515 426 N N 0.569 119.288 118.700 0.032 0.000 1.903 426 N HA 0.276 5.016 4.740 0.001 0.000 0.238 426 N C 1.769 177.301 175.510 0.038 0.000 1.090 426 N CA 1.065 54.141 53.050 0.042 0.000 1.095 426 N CB -0.690 37.824 38.487 0.045 0.000 1.462 426 N HN 0.529 nan 8.380 nan 0.000 0.536 427 A N 0.905 123.745 122.820 0.034 0.000 1.346 427 A HA -0.367 3.953 4.320 0.001 0.000 0.222 427 A C 1.459 179.054 177.584 0.019 0.000 0.346 427 A CA 2.675 54.726 52.037 0.022 0.000 1.095 427 A CB -2.010 17.000 19.000 0.017 0.000 1.469 427 A HN 0.613 nan 8.150 nan 0.000 0.722 428 N N -0.232 118.483 118.700 0.025 0.000 2.205 428 N HA 0.175 4.915 4.740 0.001 0.000 0.201 428 N C -0.097 175.439 175.510 0.044 0.000 1.128 428 N CA 0.710 53.774 53.050 0.024 0.000 0.867 428 N CB 0.142 38.641 38.487 0.021 0.000 0.996 428 N HN 0.694 nan 8.380 nan 0.000 0.503 429 K N 1.384 121.819 120.400 0.059 0.000 2.244 429 K HA 0.369 4.689 4.320 0.001 0.000 0.260 429 K C -2.597 174.077 176.600 0.123 0.000 0.951 429 K CA -2.238 54.100 56.287 0.085 0.000 0.826 429 K CB 1.743 34.291 32.500 0.080 0.000 1.108 429 K HN 0.076 nan 8.250 nan 0.000 0.433 430 P HA -0.038 nan 4.420 nan 0.000 0.261 430 P C -0.512 176.988 177.300 0.333 0.000 1.203 430 P CA -0.082 63.164 63.100 0.243 0.000 0.767 430 P CB 0.481 32.228 31.700 0.078 0.000 0.785 431 V N 6.010 126.128 119.914 0.340 0.000 2.304 431 V HA 0.071 4.192 4.120 0.001 0.000 0.269 431 V C 0.688 176.869 176.094 0.144 0.000 1.036 431 V CA -0.890 61.531 62.300 0.202 0.000 0.840 431 V CB 0.904 32.788 31.823 0.101 0.000 1.036 431 V HN 0.420 nan 8.190 nan 0.000 0.466 432 L N 6.982 128.205 121.223 0.000 0.000 2.477 432 L HA 0.290 4.630 4.340 0.001 0.000 0.272 432 L C 1.289 177.964 176.870 -0.325 0.000 1.157 432 L CA 0.835 55.465 54.840 -0.349 0.000 0.889 432 L CB 0.338 42.225 42.059 -0.286 0.000 1.158 432 L HN 0.462 nan 8.230 nan 0.000 0.473 433 R N 3.241 123.492 120.500 -0.416 0.000 2.225 433 R HA 0.283 4.623 4.340 0.001 0.000 0.194 433 R C 0.178 176.220 176.300 -0.430 0.000 0.957 433 R CA 0.250 56.038 56.100 -0.520 0.000 1.042 433 R CB -0.202 29.459 30.300 -1.066 0.000 1.004 433 R HN 0.846 nan 8.270 nan 0.000 0.509 434 N N -0.568 117.920 118.700 -0.354 0.000 2.961 434 N HA 0.325 5.065 4.740 0.001 0.000 0.245 434 N C -1.657 173.701 175.510 -0.253 0.000 1.404 434 N CA -0.489 52.414 53.050 -0.245 0.000 0.880 434 N CB 1.665 40.048 38.487 -0.173 0.000 1.461 434 N HN -0.200 nan 8.380 nan 0.000 0.510 435 I N 2.066 122.493 120.570 -0.238 0.000 2.619 435 I HA 0.470 4.640 4.170 0.001 0.000 0.292 435 I C -1.026 174.913 176.117 -0.297 0.000 1.100 435 I CA -0.631 60.456 61.300 -0.355 0.000 1.043 435 I CB 2.217 40.020 38.000 -0.329 0.000 1.239 435 I HN 0.399 nan 8.210 nan 0.000 0.420 436 I N 6.000 126.351 120.570 -0.364 0.000 2.498 436 I HA 0.501 4.671 4.170 0.001 0.000 0.290 436 I C -0.743 175.210 176.117 -0.272 0.000 1.032 436 I CA -0.826 60.317 61.300 -0.261 0.000 1.073 436 I CB 2.202 40.060 38.000 -0.236 0.000 1.251 436 I HN 0.129 nan 8.210 nan 0.000 0.426 437 V N 4.088 123.883 119.914 -0.198 0.000 2.715 437 V HA 0.474 4.594 4.120 0.001 0.000 0.310 437 V C 0.357 176.360 176.094 -0.152 0.000 1.054 437 V CA -0.700 61.498 62.300 -0.169 0.000 0.928 437 V CB 1.898 33.644 31.823 -0.129 0.000 1.007 437 V HN 0.906 nan 8.190 nan 0.000 0.437 438 S N 1.910 117.538 115.700 -0.120 0.000 2.633 438 S HA 0.211 4.682 4.470 0.001 0.000 0.257 438 S C 0.359 174.786 174.600 -0.289 0.000 1.265 438 S CA 0.023 58.101 58.200 -0.203 0.000 0.980 438 S CB 0.445 63.652 63.200 0.012 0.000 1.017 438 S HN 0.926 nan 8.310 nan 0.000 0.577 439 N N -1.525 116.852 118.700 -0.539 0.000 2.423 439 N HA 0.119 4.860 4.740 0.001 0.000 0.262 439 N C -0.295 175.012 175.510 -0.338 0.000 1.467 439 N CA -0.242 52.592 53.050 -0.360 0.000 0.847 439 N CB 0.160 38.446 38.487 -0.335 0.000 1.394 439 N HN 0.751 nan 8.380 nan 0.000 0.495 440 W N 0.705 122.017 121.300 0.019 0.000 2.388 440 W HA -0.112 4.549 4.660 0.001 0.000 0.294 440 W C 2.741 179.276 176.519 0.027 0.000 1.212 440 W CA 1.654 59.020 57.345 0.035 0.000 1.271 440 W CB -0.391 29.098 29.460 0.049 0.000 1.126 440 W HN 0.174 nan 8.180 nan 0.000 0.535 441 T N -0.544 114.125 114.554 0.193 0.000 2.708 441 T HA -0.176 4.174 4.350 0.001 0.000 0.266 441 T C 1.595 176.326 174.700 0.052 0.000 1.037 441 T CA 1.161 63.327 62.100 0.110 0.000 1.146 441 T CB -0.516 68.385 68.868 0.054 0.000 0.865 441 T HN 0.152 nan 8.240 nan 0.000 0.435 442 R N 1.581 122.086 120.500 0.007 0.000 2.323 442 R HA 0.195 4.535 4.340 0.001 0.000 0.198 442 R C 0.306 176.574 176.300 -0.053 0.000 0.988 442 R CA 0.221 56.303 56.100 -0.031 0.000 1.041 442 R CB -0.079 30.191 30.300 -0.051 0.000 0.926 442 R HN 0.461 nan 8.270 nan 0.000 0.476 443 D N 1.094 121.479 120.400 -0.024 0.000 2.280 443 D HA 0.067 4.707 4.640 0.001 0.000 0.243 443 D C -1.539 174.735 176.300 -0.043 0.000 1.129 443 D CA -2.455 51.518 54.000 -0.044 0.000 0.848 443 D CB 1.687 42.502 40.800 0.025 0.000 1.107 443 D HN -0.079 nan 8.370 nan 0.000 0.471 444 P HA -0.118 nan 4.420 nan 0.000 0.226 444 P C 0.777 177.999 177.300 -0.130 0.000 1.153 444 P CA 0.877 63.837 63.100 -0.234 0.000 0.777 444 P CB 0.032 31.479 31.700 -0.422 0.000 0.794 445 Y N -0.072 120.266 120.300 0.063 0.000 2.462 445 Y HA 0.057 4.607 4.550 0.001 0.000 0.261 445 Y C 2.420 178.388 175.900 0.113 0.000 1.146 445 Y CA 0.411 58.556 58.100 0.075 0.000 1.283 445 Y CB 0.326 38.837 38.460 0.085 0.000 1.090 445 Y HN 0.127 nan 8.280 nan 0.000 0.526 446 S N -0.764 115.109 115.700 0.288 0.000 2.670 446 S HA 0.103 4.573 4.470 0.001 0.000 0.241 446 S C 0.771 175.495 174.600 0.206 0.000 1.077 446 S CA -0.464 57.914 58.200 0.297 0.000 0.899 446 S CB -0.013 63.507 63.200 0.534 0.000 0.835 446 S HN 0.247 nan 8.310 nan 0.000 0.481 447 R N 2.093 122.686 120.500 0.156 0.000 3.211 447 R HA -0.039 4.302 4.340 0.001 0.000 0.240 447 R C 0.596 176.990 176.300 0.157 0.000 0.915 447 R CA 0.629 56.784 56.100 0.091 0.000 0.621 447 R CB -2.144 28.153 30.300 -0.005 0.000 1.008 447 R HN 0.972 nan 8.270 nan 0.000 0.471 448 G N -2.994 105.965 108.800 0.265 0.000 2.351 448 G HA2 0.287 4.247 3.960 0.001 0.000 0.353 448 G HA3 0.287 4.247 3.960 0.001 0.000 0.353 448 G C 0.113 175.171 174.900 0.263 0.000 1.358 448 G CA -0.263 45.026 45.100 0.315 0.000 0.995 448 G HN 0.233 nan 8.290 nan 0.000 0.611 449 A N -0.658 122.140 122.820 -0.036 0.000 1.850 449 A HA 0.689 5.009 4.320 0.001 0.000 0.212 449 A C 0.710 178.035 177.584 -0.433 0.000 1.208 449 A CA 2.627 54.454 52.037 -0.349 0.000 0.609 449 A CB -0.343 18.256 19.000 -0.669 0.000 0.860 449 A HN 2.314 nan 8.150 nan 0.000 0.448 450 Y N -4.183 115.669 120.300 -0.747 0.000 2.851 450 Y HA 0.510 5.060 4.550 0.001 0.000 0.359 450 Y C -0.327 174.551 175.900 -1.703 0.000 1.231 450 Y CA -1.368 55.948 58.100 -1.306 0.000 1.106 450 Y CB -0.186 37.962 38.460 -0.520 0.000 1.409 450 Y HN -0.077 nan 8.280 nan 0.000 0.454 451 S N 0.882 116.035 115.700 -0.913 0.000 2.593 451 S HA 0.495 4.965 4.470 0.001 0.000 0.300 451 S C -0.015 174.575 174.600 -0.017 0.000 1.267 451 S CA 0.623 58.695 58.200 -0.214 0.000 1.065 451 S CB -0.193 63.068 63.200 0.101 0.000 0.807 451 S HN 1.161 nan 8.310 nan 0.000 0.499 452 A N 2.253 125.125 122.820 0.086 0.000 2.572 452 A HA 0.635 4.956 4.320 0.001 0.000 0.295 452 A C -0.710 177.008 177.584 0.222 0.000 1.072 452 A CA -0.696 51.429 52.037 0.145 0.000 0.691 452 A CB 1.084 20.145 19.000 0.102 0.000 1.291 452 A HN 0.789 nan 8.150 nan 0.000 0.404 453 C N 1.417 120.797 119.300 0.133 0.000 2.350 453 C HA 0.706 5.166 4.460 0.001 0.000 0.348 453 C C -0.106 174.956 174.990 0.121 0.000 1.260 453 C CA -0.455 58.631 59.018 0.113 0.000 1.966 453 C CB -0.975 26.703 27.740 -0.103 0.000 2.380 453 C HN 0.655 nan 8.230 nan 0.000 0.535 454 F N 3.768 123.776 119.950 0.097 0.000 2.425 454 F HA 0.711 5.238 4.527 0.001 0.000 0.331 454 F C -1.991 173.861 175.800 0.087 0.000 1.085 454 F CA -2.771 55.302 58.000 0.122 0.000 1.028 454 F CB -0.219 38.942 39.000 0.268 0.000 1.177 454 F HN 0.345 nan 8.300 nan 0.000 0.487 461 D N 0.110 120.475 120.400 -0.057 0.000 2.213 461 D HA -0.043 4.597 4.640 0.001 0.000 0.205 461 D C 1.710 177.938 176.300 -0.120 0.000 0.961 461 D CA 1.205 55.158 54.000 -0.078 0.000 0.853 461 D CB -0.025 40.733 40.800 -0.071 0.000 0.967 461 D HN 0.430 nan 8.370 nan 0.000 0.496 462 M N 0.806 120.321 119.600 -0.141 0.000 2.143 462 M HA -0.183 4.297 4.480 0.001 0.000 0.258 462 M C 1.571 177.756 176.300 -0.190 0.000 1.071 462 M CA 1.371 56.544 55.300 -0.211 0.000 1.088 462 M CB -0.383 32.100 32.600 -0.195 0.000 1.360 462 M HN -0.054 nan 8.290 nan 0.000 0.404 463 V N -0.844 118.990 119.914 -0.133 0.000 2.282 463 V HA -0.303 3.817 4.120 0.001 0.000 0.249 463 V C 2.368 178.385 176.094 -0.129 0.000 1.057 463 V CA 1.974 64.200 62.300 -0.124 0.000 1.032 463 V CB -1.140 30.631 31.823 -0.087 0.000 0.645 463 V HN 0.465 nan 8.190 nan 0.000 0.447 464 V N 0.230 120.075 119.914 -0.116 0.000 2.270 464 V HA -0.206 3.915 4.120 0.001 0.000 0.245 464 V C 2.756 178.766 176.094 -0.139 0.000 1.043 464 V CA 1.835 64.072 62.300 -0.105 0.000 1.014 464 V CB -1.338 30.434 31.823 -0.084 0.000 0.645 464 V HN 0.541 nan 8.190 nan 0.000 0.447 465 A N -0.092 122.618 122.820 -0.183 0.000 1.927 465 A HA -0.279 4.041 4.320 0.001 0.000 0.220 465 A C 2.241 179.624 177.584 -0.336 0.000 1.185 465 A CA 2.478 54.366 52.037 -0.248 0.000 0.639 465 A CB -0.486 18.332 19.000 -0.305 0.000 0.820 465 A HN 0.441 nan 8.150 nan 0.000 0.451 466 M N -0.635 118.756 119.600 -0.349 0.000 2.193 466 M HA -0.033 4.448 4.480 0.001 0.000 0.265 466 M C 2.384 178.602 176.300 -0.137 0.000 1.071 466 M CA 1.582 56.657 55.300 -0.375 0.000 1.140 466 M CB -1.600 30.803 32.600 -0.328 0.000 1.369 466 M HN 0.413 nan 8.290 nan 0.000 0.423 467 S N 1.463 117.096 115.700 -0.113 0.000 2.359 467 S HA -0.140 4.331 4.470 0.001 0.000 0.224 467 S C 1.710 176.298 174.600 -0.020 0.000 1.035 467 S CA 1.407 59.576 58.200 -0.052 0.000 1.018 467 S CB -0.422 62.743 63.200 -0.058 0.000 0.876 467 S HN 0.454 nan 8.310 nan 0.000 0.448 468 N N 0.869 119.545 118.700 -0.040 0.000 2.058 468 N HA 0.075 4.815 4.740 0.001 0.000 0.191 468 N C 1.107 176.640 175.510 0.037 0.000 1.037 468 N CA 1.290 54.332 53.050 -0.013 0.000 0.848 468 N CB -0.737 37.730 38.487 -0.034 0.000 1.021 468 N HN 0.533 nan 8.380 nan 0.000 0.422 469 G N 0.464 109.295 108.800 0.053 0.000 2.712 469 G HA2 -0.188 3.772 3.960 0.001 0.000 0.686 469 G HA3 -0.188 3.772 3.960 0.001 0.000 0.686 469 G C 0.229 175.238 174.900 0.182 0.000 1.181 469 G CA 0.142 45.375 45.100 0.222 0.000 0.762 469 G HN 0.224 nan 8.290 nan 0.000 0.641 470 Q N 0.509 120.516 119.800 0.346 0.000 2.217 470 Q HA -0.022 4.318 4.340 0.001 0.000 0.209 470 Q C 1.119 177.180 176.000 0.102 0.000 0.988 470 Q CA 3.179 59.093 55.803 0.184 0.000 0.878 470 Q CB -0.009 28.845 28.738 0.193 0.000 0.909 470 Q HN 0.999 nan 8.270 nan 0.000 0.424 471 D N -4.570 115.896 120.400 0.109 0.000 2.804 471 D HA -0.039 4.602 4.640 0.001 0.000 0.309 471 D C -0.031 176.320 176.300 0.084 0.000 1.311 471 D CA 0.304 54.347 54.000 0.073 0.000 0.765 471 D CB -0.258 40.573 40.800 0.052 0.000 1.293 471 D HN 0.055 nan 8.370 nan 0.000 0.434 472 S N -0.545 115.200 115.700 0.075 0.000 2.462 472 S HA -0.181 4.289 4.470 0.001 0.000 0.243 472 S C 1.178 175.892 174.600 0.189 0.000 1.003 472 S CA 0.969 59.237 58.200 0.113 0.000 0.970 472 S CB -0.386 62.872 63.200 0.096 0.000 0.762 472 S HN 0.507 nan 8.310 nan 0.000 0.510 473 R N -0.544 120.025 120.500 0.115 0.000 2.541 473 R HA 0.388 4.729 4.340 0.001 0.000 0.332 473 R C -0.595 175.751 176.300 0.077 0.000 0.951 473 R CA -0.179 55.993 56.100 0.121 0.000 1.136 473 R CB 0.715 30.917 30.300 -0.163 0.000 1.449 473 R HN 0.342 nan 8.270 nan 0.000 0.531 474 I N 3.300 123.905 120.570 0.057 0.000 2.523 474 I HA 0.241 4.411 4.170 0.001 0.000 0.281 474 I C -0.246 175.851 176.117 -0.033 0.000 1.126 474 I CA -0.357 60.943 61.300 0.000 0.000 1.187 474 I CB 0.119 38.142 38.000 0.038 0.000 1.478 474 I HN -0.081 nan 8.210 nan 0.000 0.522 475 R N 3.393 123.865 120.500 -0.047 0.000 2.543 475 R HA 0.618 4.958 4.340 0.001 0.000 0.268 475 R C -0.785 175.415 176.300 -0.167 0.000 1.067 475 R CA -0.496 55.613 56.100 0.014 0.000 1.142 475 R CB 0.804 31.124 30.300 0.034 0.000 1.110 475 R HN 0.021 nan 8.270 nan 0.000 0.549 476 F N -0.785 119.168 119.950 0.005 0.000 2.546 476 F HA 0.713 5.240 4.527 0.001 0.000 0.320 476 F C 0.217 175.993 175.800 -0.040 0.000 1.076 476 F CA -0.768 57.235 58.000 0.005 0.000 0.928 476 F CB 2.092 41.083 39.000 -0.015 0.000 1.189 476 F HN 0.637 nan 8.300 nan 0.000 0.465 477 A N 0.852 123.758 122.820 0.144 0.000 2.569 477 A HA 0.976 5.296 4.320 0.001 0.000 0.290 477 A C -0.455 177.168 177.584 0.066 0.000 1.136 477 A CA -0.368 51.698 52.037 0.049 0.000 0.710 477 A CB 1.665 20.683 19.000 0.029 0.000 1.303 477 A HN 1.742 nan 8.150 nan 0.000 0.413 478 G N -0.269 108.557 108.800 0.044 0.000 2.402 478 G HA2 0.429 4.389 3.960 0.001 0.000 0.666 478 G HA3 0.429 4.389 3.960 0.001 0.000 0.666 478 G C -0.029 174.939 174.900 0.114 0.000 1.402 478 G CA 0.612 45.812 45.100 0.167 0.000 0.920 478 G HN 1.918 nan 8.290 nan 0.000 0.651 479 E N -0.030 120.290 120.200 0.199 0.000 2.339 479 E HA -0.269 4.081 4.350 0.001 0.000 0.201 479 E C 1.550 178.222 176.600 0.119 0.000 1.015 479 E CA 2.537 58.996 56.400 0.097 0.000 0.841 479 E CB -0.305 29.428 29.700 0.056 0.000 0.754 479 E HN 0.946 nan 8.360 nan 0.000 0.508 480 H N -0.492 118.629 119.070 0.084 0.000 2.551 480 H HA 0.208 4.765 4.556 0.001 0.000 0.271 480 H C 0.792 176.135 175.328 0.026 0.000 0.984 480 H CA 0.995 57.095 56.048 0.086 0.000 1.164 480 H CB -0.327 29.556 29.762 0.203 0.000 1.437 480 H HN 0.278 nan 8.280 nan 0.000 0.550 481 T N -1.382 112.907 114.554 -0.441 0.000 3.223 481 T HA 0.411 4.761 4.350 0.001 0.000 0.259 481 T C 0.330 174.933 174.700 -0.162 0.000 1.015 481 T CA -0.381 61.512 62.100 -0.345 0.000 0.908 481 T CB -0.516 68.153 68.868 -0.331 0.000 1.054 481 T HN 0.305 nan 8.240 nan 0.000 0.567 482 I N 0.108 120.608 120.570 -0.117 0.000 2.913 482 I HA 0.481 4.652 4.170 0.001 0.000 0.302 482 I C 0.420 176.495 176.117 -0.071 0.000 1.246 482 I CA -1.185 60.069 61.300 -0.076 0.000 1.010 482 I CB 2.370 40.338 38.000 -0.054 0.000 1.259 482 I HN 0.027 nan 8.210 nan 0.000 0.434 483 M N 2.776 122.347 119.600 -0.049 0.000 2.276 483 M HA 0.198 4.678 4.480 0.001 0.000 0.262 483 M C -0.070 176.209 176.300 -0.035 0.000 1.098 483 M CA 1.418 56.691 55.300 -0.045 0.000 1.167 483 M CB 0.054 32.637 32.600 -0.028 0.000 1.337 483 M HN 0.361 nan 8.290 nan 0.000 0.446 484 D N 0.480 120.884 120.400 0.006 0.000 2.325 484 D HA 0.444 5.084 4.640 0.001 0.000 0.251 484 D C 0.894 177.209 176.300 0.025 0.000 1.196 484 D CA 1.082 55.118 54.000 0.060 0.000 0.866 484 D CB 0.479 41.355 40.800 0.128 0.000 1.101 484 D HN 0.642 nan 8.370 nan 0.000 0.476 485 G N 2.065 110.817 108.800 -0.081 0.000 2.175 485 G HA2 -0.214 3.747 3.960 0.001 0.000 0.244 485 G HA3 -0.214 3.747 3.960 0.001 0.000 0.244 485 G C 0.596 175.210 174.900 -0.477 0.000 0.982 485 G CA 0.006 44.755 45.100 -0.585 0.000 0.641 485 G HN 0.847 nan 8.290 nan 0.000 0.527 486 A N -0.006 122.654 122.820 -0.267 0.000 2.598 486 A HA 0.517 4.837 4.320 0.001 0.000 0.239 486 A C 2.244 179.661 177.584 -0.280 0.000 1.032 486 A CA 2.305 54.213 52.037 -0.215 0.000 0.760 486 A CB -0.365 18.540 19.000 -0.160 0.000 0.946 486 A HN 2.481 nan 8.150 nan 0.000 0.512 487 G N 0.708 109.378 108.800 -0.216 0.000 2.162 487 G HA2 -0.251 3.709 3.960 0.001 0.000 0.260 487 G HA3 -0.251 3.709 3.960 0.001 0.000 0.260 487 G C 0.320 174.966 174.900 -0.422 0.000 0.976 487 G CA 0.429 45.350 45.100 -0.299 0.000 0.655 487 G HN 1.289 nan 8.290 nan 0.000 0.533 488 C N -0.925 118.157 119.300 -0.363 0.000 2.595 488 C HA 0.842 5.303 4.460 0.001 0.000 0.338 488 C C 2.188 177.045 174.990 -0.222 0.000 1.219 488 C CA 0.107 58.930 59.018 -0.325 0.000 1.811 488 C CB 1.310 28.802 27.740 -0.413 0.000 2.313 488 C HN 0.851 nan 8.230 nan 0.000 0.499 489 A N 0.545 123.298 122.820 -0.112 0.000 1.883 489 A HA -0.178 4.142 4.320 0.001 0.000 0.217 489 A C 1.824 179.503 177.584 0.158 0.000 1.186 489 A CA 2.342 54.380 52.037 0.001 0.000 0.624 489 A CB -0.972 18.029 19.000 0.002 0.000 0.822 489 A HN 1.095 nan 8.150 nan 0.000 0.444 490 Y N -0.718 119.666 120.300 0.140 0.000 2.242 490 Y HA 0.155 4.705 4.550 0.001 0.000 0.291 490 Y C 2.197 178.261 175.900 0.273 0.000 1.137 490 Y CA 0.631 58.849 58.100 0.197 0.000 1.181 490 Y CB -1.257 37.262 38.460 0.099 0.000 0.989 490 Y HN 0.088 nan 8.280 nan 0.000 0.527 491 G N 0.724 109.259 108.800 -0.442 0.000 2.442 491 G HA2 -0.233 3.728 3.960 0.001 0.000 0.219 491 G HA3 -0.233 3.728 3.960 0.001 0.000 0.219 491 G C 1.799 176.696 174.900 -0.005 0.000 1.141 491 G CA 1.304 46.230 45.100 -0.290 0.000 0.763 491 G HN 0.674 nan 8.290 nan 0.000 0.554 492 A N -0.091 122.752 122.820 0.039 0.000 1.897 492 A HA 0.036 4.356 4.320 0.001 0.000 0.215 492 A C 2.126 179.826 177.584 0.194 0.000 1.181 492 A CA 1.445 53.544 52.037 0.103 0.000 0.620 492 A CB -0.793 18.268 19.000 0.100 0.000 0.821 492 A HN 0.548 nan 8.150 nan 0.000 0.443 493 W N 1.121 122.463 121.300 0.069 0.000 2.321 493 W HA -0.251 4.410 4.660 0.001 0.000 0.306 493 W C 1.943 178.518 176.519 0.093 0.000 1.217 493 W CA 2.321 59.729 57.345 0.105 0.000 1.257 493 W CB -0.002 29.557 29.460 0.164 0.000 1.145 493 W HN 0.405 nan 8.180 nan 0.000 0.509 494 E N 0.294 120.673 120.200 0.299 0.000 2.072 494 E HA -0.174 4.176 4.350 0.001 0.000 0.190 494 E C 2.383 178.950 176.600 -0.056 0.000 0.982 494 E CA 2.225 58.652 56.400 0.046 0.000 0.803 494 E CB -0.644 29.216 29.700 0.267 0.000 0.755 494 E HN 0.254 nan 8.360 nan 0.000 0.453 495 S N -0.888 114.815 115.700 0.004 0.000 2.419 495 S HA -0.087 4.383 4.470 0.001 0.000 0.235 495 S C 2.150 176.717 174.600 -0.055 0.000 1.019 495 S CA 1.046 59.231 58.200 -0.026 0.000 0.982 495 S CB -0.763 62.427 63.200 -0.017 0.000 0.789 495 S HN 0.335 nan 8.310 nan 0.000 0.490 496 G N 1.446 110.199 108.800 -0.079 0.000 2.430 496 G HA2 -0.059 3.901 3.960 0.001 0.000 0.216 496 G HA3 -0.059 3.901 3.960 0.001 0.000 0.216 496 G C 1.549 176.347 174.900 -0.170 0.000 1.146 496 G CA 0.396 45.434 45.100 -0.104 0.000 0.793 496 G HN 0.565 nan 8.290 nan 0.000 0.537 497 R N 0.231 120.570 120.500 -0.268 0.000 2.119 497 R HA 0.149 4.489 4.340 0.001 0.000 0.222 497 R C 2.420 178.616 176.300 -0.174 0.000 1.088 497 R CA 0.705 56.636 56.100 -0.283 0.000 0.984 497 R CB -0.259 29.763 30.300 -0.464 0.000 0.884 497 R HN 0.308 nan 8.270 nan 0.000 0.447 498 R N 0.860 121.278 120.500 -0.136 0.000 2.126 498 R HA -0.155 4.185 4.340 0.001 0.000 0.224 498 R C 1.594 177.846 176.300 -0.081 0.000 1.128 498 R CA 1.958 58.005 56.100 -0.087 0.000 0.895 498 R CB -0.386 29.879 30.300 -0.057 0.000 0.817 498 R HN 0.171 nan 8.270 nan 0.000 0.435 499 E N 0.273 120.433 120.200 -0.067 0.000 2.233 499 E HA -0.238 4.113 4.350 0.001 0.000 0.199 499 E C 1.669 178.213 176.600 -0.093 0.000 1.004 499 E CA 1.330 57.694 56.400 -0.061 0.000 0.819 499 E CB -0.212 29.467 29.700 -0.035 0.000 0.738 499 E HN 0.526 nan 8.360 nan 0.000 0.478 500 A N 0.736 123.493 122.820 -0.104 0.000 1.823 500 A HA -0.101 4.219 4.320 0.001 0.000 0.214 500 A C 2.426 179.939 177.584 -0.119 0.000 1.225 500 A CA 1.785 53.754 52.037 -0.114 0.000 0.604 500 A CB -1.092 17.842 19.000 -0.111 0.000 0.878 500 A HN 0.215 nan 8.150 nan 0.000 0.450 501 T N -0.184 114.305 114.554 -0.107 0.000 2.792 501 T HA -0.249 4.102 4.350 0.001 0.000 0.268 501 T C 1.920 176.560 174.700 -0.100 0.000 1.059 501 T CA 1.914 63.958 62.100 -0.094 0.000 1.136 501 T CB -0.386 68.432 68.868 -0.084 0.000 0.846 501 T HN 0.554 nan 8.240 nan 0.000 0.489 502 R N 0.838 121.272 120.500 -0.110 0.000 2.070 502 R HA 0.026 4.366 4.340 0.001 0.000 0.227 502 R C 2.316 178.502 176.300 -0.190 0.000 1.147 502 R CA 1.514 57.542 56.100 -0.119 0.000 0.924 502 R CB -0.479 29.760 30.300 -0.102 0.000 0.827 502 R HN 0.347 nan 8.270 nan 0.000 0.431 503 I N 1.607 122.011 120.570 -0.276 0.000 2.761 503 I HA -0.233 3.937 4.170 0.001 0.000 0.266 503 I C 1.870 177.780 176.117 -0.344 0.000 1.239 503 I CA 0.867 61.864 61.300 -0.505 0.000 1.451 503 I CB -0.127 37.542 38.000 -0.552 0.000 1.096 503 I HN 0.282 nan 8.210 nan 0.000 0.465 504 S N 0.335 115.917 115.700 -0.196 0.000 2.362 504 S HA -0.124 4.346 4.470 0.001 0.000 0.221 504 S C 1.574 176.115 174.600 -0.098 0.000 1.032 504 S CA 1.006 59.134 58.200 -0.119 0.000 0.973 504 S CB -0.151 63.000 63.200 -0.082 0.000 0.849 504 S HN 0.464 nan 8.310 nan 0.000 0.465 505 D N 1.877 122.219 120.400 -0.096 0.000 2.084 505 D HA -0.005 4.635 4.640 0.001 0.000 0.196 505 D C 2.069 178.333 176.300 -0.061 0.000 0.985 505 D CA 0.691 54.652 54.000 -0.065 0.000 0.826 505 D CB -0.554 40.213 40.800 -0.054 0.000 0.978 505 D HN 0.245 nan 8.370 nan 0.000 0.456 506 L N 0.732 121.899 121.223 -0.092 0.000 1.965 506 L HA -0.247 4.094 4.340 0.001 0.000 0.226 506 L C 2.798 179.663 176.870 -0.009 0.000 1.083 506 L CA 1.196 56.004 54.840 -0.052 0.000 0.790 506 L CB -0.802 41.196 42.059 -0.102 0.000 0.898 506 L HN 0.053 nan 8.230 nan 0.000 0.439 507 L N -0.324 120.875 121.223 -0.041 0.000 1.997 507 L HA -0.329 4.012 4.340 0.001 0.000 0.216 507 L C 2.754 179.639 176.870 0.024 0.000 1.074 507 L CA 1.761 56.624 54.840 0.038 0.000 0.763 507 L CB -0.634 41.435 42.059 0.017 0.000 0.890 507 L HN 0.344 nan 8.230 nan 0.000 0.434 508 K N 0.347 120.745 120.400 -0.004 0.000 2.137 508 K HA -0.265 4.055 4.320 0.001 0.000 0.216 508 K C 1.247 177.853 176.600 0.011 0.000 1.052 508 K CA 1.208 57.495 56.287 0.001 0.000 0.939 508 K CB -0.452 32.040 32.500 -0.012 0.000 0.724 508 K HN 0.155 nan 8.250 nan 0.000 0.465 509 L N 0.000 121.230 121.223 0.012 0.000 2.949 509 L HA 0.000 4.340 4.340 0.001 0.000 0.249 509 L CA 0.000 54.850 54.840 0.017 0.000 0.813 509 L CB 0.000 42.075 42.059 0.026 0.000 0.961 509 L HN 0.000 nan 8.230 nan 0.000 0.502