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 1a0t_1_Q DATA FIRST_RESID 71 DATA SEQUENCE SGFEFHGYAR SGVIMNDSGA STKSGAYITP AGETGGAIGR LGNQADTYVE DATA SEQUENCE MNLEHKQTLD NGATTRFKVM VADGQTSYND WTASTSDLNV RQAFVELGNL DATA SEQUENCE PTFAGPFKGS TLWAGKRFDR DNFDIHWIDS DVVFLAGTGG GIYDVKWNDG DATA SEQUENCE LRSNFSLYGR NFGDIDDSSN SVQNYILTMN HFAGPLQMMV SGLRAKDNDE DATA SEQUENCE RKDSNGNLAK GDAANTGVHA LLGLHNDSFY GLRDGSSKTA LLYGHGLGAE DATA SEQUENCE VKGIGSDGAL RPGADTWRIA SYGTTPLSEN WSVAPAMLAQ RSKDRYADGD DATA SEQUENCE SYQWATFNLR LIQAINQNFA LAYEGSYQYM DLKPEGYNDR QAVNGSFYKL DATA SEQUENCE TFAPTFKVGS IGDFFSRPEI RFYTSWMDWS KKLNNYASDD ALGSDGFNSG DATA SEQUENCE GEWSFGVQME TWF 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 71 S HA 0.000 nan 4.470 nan 0.000 0.327 71 S C 0.000 174.556 174.600 -0.074 0.000 1.055 71 S CA 0.000 58.176 58.200 -0.040 0.000 1.107 71 S CB 0.000 63.184 63.200 -0.026 0.000 0.593 72 G N 0.535 109.312 108.800 -0.038 0.000 3.088 72 G HA2 0.561 4.697 3.960 0.293 0.000 0.197 72 G HA3 0.561 4.697 3.960 0.293 0.000 0.197 72 G C -1.084 173.850 174.900 0.056 0.000 1.611 72 G CA -0.308 44.785 45.100 -0.012 0.000 0.771 72 G HN 0.823 nan 8.290 nan 0.000 0.789 73 F N 1.930 121.893 119.950 0.022 0.000 2.394 73 F HA 0.680 5.384 4.527 0.295 0.000 0.340 73 F C -0.192 175.622 175.800 0.024 0.000 1.105 73 F CA -0.603 57.430 58.000 0.056 0.000 1.124 73 F CB 1.389 40.436 39.000 0.077 0.000 1.145 73 F HN 0.235 nan 8.300 nan 0.000 0.505 74 E N 5.665 125.288 120.200 -0.962 0.000 2.275 74 E HA 0.249 4.774 4.350 0.293 0.000 0.270 74 E C -1.969 173.927 176.600 -1.174 0.000 0.882 74 E CA -0.855 55.006 56.400 -0.899 0.000 0.758 74 E CB 2.504 31.900 29.700 -0.506 0.000 1.195 74 E HN 0.504 nan 8.360 nan 0.000 0.419 75 F N 4.191 123.536 119.950 -1.008 0.000 2.449 75 F HA 0.432 5.137 4.527 0.296 0.000 0.342 75 F C -0.973 174.647 175.800 -0.300 0.000 1.127 75 F CA -0.360 57.346 58.000 -0.489 0.000 0.975 75 F CB 0.649 39.625 39.000 -0.039 0.000 1.146 75 F HN 0.448 nan 8.300 nan 0.000 0.444 76 H N 2.820 121.601 119.070 -0.482 0.000 2.907 76 H HA 0.880 5.613 4.556 0.295 0.000 0.361 76 H C -0.035 174.761 175.328 -0.886 0.000 1.194 76 H CA -0.709 55.005 56.048 -0.557 0.000 1.152 76 H CB 1.725 31.293 29.762 -0.323 0.000 1.867 76 H HN 0.876 nan 8.280 nan 0.000 0.561 77 G N -0.507 107.675 108.800 -1.030 0.000 2.321 77 G HA2 0.315 4.451 3.960 0.293 0.000 0.296 77 G HA3 0.315 4.451 3.960 0.293 0.000 0.296 77 G C -2.467 172.114 174.900 -0.532 0.000 1.287 77 G CA -0.677 44.003 45.100 -0.699 0.000 0.846 77 G HN 0.495 nan 8.290 nan 0.000 0.508 78 Y N -0.078 120.079 120.300 -0.238 0.000 2.534 78 Y HA 0.787 5.512 4.550 0.291 0.000 0.345 78 Y C -0.709 175.262 175.900 0.119 0.000 1.031 78 Y CA -0.349 57.766 58.100 0.024 0.000 1.022 78 Y CB 2.219 40.723 38.460 0.073 0.000 1.292 78 Y HN 1.612 nan 8.280 nan 0.000 0.459 79 A N 5.668 128.160 122.820 -0.547 0.000 2.512 79 A HA 0.680 5.176 4.320 0.293 0.000 0.294 79 A C -1.700 175.707 177.584 -0.294 0.000 1.054 79 A CA -0.843 51.073 52.037 -0.201 0.000 0.756 79 A CB 1.142 20.155 19.000 0.023 0.000 1.293 79 A HN 0.940 nan 8.150 nan 0.000 0.395 80 R N 0.446 120.946 120.500 -0.001 0.000 2.740 80 R HA 0.921 5.437 4.340 0.293 0.000 0.282 80 R C -0.875 175.506 176.300 0.135 0.000 0.969 80 R CA -0.306 55.847 56.100 0.087 0.000 0.918 80 R CB 2.057 32.514 30.300 0.262 0.000 1.175 80 R HN 1.036 nan 8.270 nan 0.000 0.464 81 S N 0.846 116.611 115.700 0.109 0.000 2.582 81 S HA 0.612 5.258 4.470 0.293 0.000 0.296 81 S C -1.292 173.358 174.600 0.084 0.000 1.118 81 S CA 0.072 58.338 58.200 0.109 0.000 0.947 81 S CB 1.092 64.341 63.200 0.081 0.000 1.131 81 S HN 1.191 nan 8.310 nan 0.000 0.453 82 G N 1.806 110.670 108.800 0.107 0.000 2.554 82 G HA2 0.627 4.763 3.960 0.293 0.000 0.306 82 G HA3 0.627 4.763 3.960 0.293 0.000 0.306 82 G C -1.947 172.990 174.900 0.062 0.000 1.320 82 G CA -0.264 44.880 45.100 0.072 0.000 0.800 82 G HN 0.980 nan 8.290 nan 0.000 0.481 83 V N 0.298 120.231 119.914 0.031 0.000 2.769 83 V HA 0.742 5.038 4.120 0.293 0.000 0.312 83 V C -0.574 175.669 176.094 0.248 0.000 1.061 83 V CA -0.589 61.713 62.300 0.003 0.000 0.931 83 V CB 1.730 33.401 31.823 -0.252 0.000 1.010 83 V HN 0.611 nan 8.190 nan 0.000 0.433 84 I N 5.450 126.233 120.570 0.356 0.000 2.607 84 I HA 0.604 4.950 4.170 0.293 0.000 0.290 84 I C -0.578 175.743 176.117 0.340 0.000 1.129 84 I CA -0.489 61.031 61.300 0.367 0.000 1.042 84 I CB 1.987 40.179 38.000 0.320 0.000 1.242 84 I HN 0.663 nan 8.210 nan 0.000 0.421 85 M N 3.416 123.224 119.600 0.346 0.000 2.575 85 M HA 0.580 5.236 4.480 0.293 0.000 0.284 85 M C -1.518 175.023 176.300 0.401 0.000 1.253 85 M CA -0.796 54.702 55.300 0.330 0.000 0.861 85 M CB 2.329 35.106 32.600 0.294 0.000 1.733 85 M HN 0.515 nan 8.290 nan 0.000 0.462 86 N N -0.238 118.678 118.700 0.360 0.000 2.418 86 N HA 0.246 5.162 4.740 0.293 0.000 0.283 86 N C -0.194 175.605 175.510 0.480 0.000 1.267 86 N CA 0.103 53.403 53.050 0.417 0.000 0.975 86 N CB -0.025 38.665 38.487 0.339 0.000 1.167 86 N HN 0.816 nan 8.380 nan 0.000 0.581 87 D N -2.469 118.227 120.400 0.494 0.000 2.392 87 D HA -0.028 4.788 4.640 0.293 0.000 0.228 87 D C 0.002 176.413 176.300 0.186 0.000 1.003 87 D CA 0.481 54.716 54.000 0.392 0.000 0.917 87 D CB -0.205 40.812 40.800 0.361 0.000 0.890 87 D HN 0.354 nan 8.370 nan 0.000 0.532 88 S N -0.822 114.990 115.700 0.187 0.000 2.593 88 S HA 0.422 5.068 4.470 0.293 0.000 0.236 88 S C 1.356 176.024 174.600 0.113 0.000 0.991 88 S CA -0.264 58.010 58.200 0.124 0.000 0.963 88 S CB 0.785 64.059 63.200 0.123 0.000 0.865 88 S HN 0.554 nan 8.310 nan 0.000 0.488 89 G N 1.580 110.461 108.800 0.135 0.000 2.246 89 G HA2 -0.043 4.093 3.960 0.293 0.000 0.273 89 G HA3 -0.043 4.093 3.960 0.293 0.000 0.273 89 G C 0.012 174.995 174.900 0.138 0.000 1.055 89 G CA 0.227 45.401 45.100 0.124 0.000 0.851 89 G HN 0.918 nan 8.290 nan 0.000 0.500 90 A N -0.848 122.070 122.820 0.164 0.000 2.530 90 A HA 0.974 5.470 4.320 0.293 0.000 0.288 90 A C 0.539 178.224 177.584 0.169 0.000 1.172 90 A CA 0.456 52.583 52.037 0.150 0.000 0.733 90 A CB 0.693 19.769 19.000 0.125 0.000 1.320 90 A HN 1.819 nan 8.150 nan 0.000 0.419 91 S N 0.085 115.862 115.700 0.130 0.000 2.573 91 S HA 0.544 5.190 4.470 0.293 0.000 0.277 91 S C 0.352 175.018 174.600 0.110 0.000 1.346 91 S CA 0.485 58.748 58.200 0.105 0.000 1.034 91 S CB 0.305 63.526 63.200 0.035 0.000 0.879 91 S HN 1.312 nan 8.310 nan 0.000 0.528 92 T N -0.920 113.681 114.554 0.078 0.000 2.716 92 T HA 0.588 5.114 4.350 0.293 0.000 0.286 92 T C -1.150 173.431 174.700 -0.198 0.000 1.052 92 T CA -1.286 60.831 62.100 0.028 0.000 1.024 92 T CB 0.781 69.752 68.868 0.172 0.000 1.349 92 T HN 0.444 nan 8.240 nan 0.000 0.525 93 K N 1.444 121.467 120.400 -0.627 0.000 2.118 93 K HA 0.796 5.292 4.320 0.293 0.000 0.267 93 K C -0.145 176.184 176.600 -0.451 0.000 0.991 93 K CA -0.496 55.364 56.287 -0.712 0.000 0.916 93 K CB 1.450 33.203 32.500 -1.246 0.000 1.041 93 K HN 0.998 nan 8.250 nan 0.000 0.455 94 S N -1.137 114.407 115.700 -0.260 0.000 2.587 94 S HA 0.821 5.467 4.470 0.293 0.000 0.269 94 S C -0.494 174.028 174.600 -0.129 0.000 1.154 94 S CA -0.335 57.787 58.200 -0.130 0.000 0.824 94 S CB 1.978 65.155 63.200 -0.039 0.000 1.118 94 S HN 0.920 nan 8.310 nan 0.000 0.462 95 G N -0.330 108.399 108.800 -0.117 0.000 2.351 95 G HA2 0.577 4.713 3.960 0.293 0.000 0.472 95 G HA3 0.577 4.713 3.960 0.293 0.000 0.472 95 G C 0.370 175.156 174.900 -0.189 0.000 1.570 95 G CA -0.196 44.832 45.100 -0.121 0.000 0.921 95 G HN 1.748 nan 8.290 nan 0.000 0.674 96 A N 0.312 123.004 122.820 -0.212 0.000 2.125 96 A HA 0.211 4.707 4.320 0.293 0.000 0.219 96 A C 1.164 178.340 177.584 -0.680 0.000 1.156 96 A CA 1.828 53.604 52.037 -0.435 0.000 0.671 96 A CB -0.288 18.409 19.000 -0.505 0.000 0.794 96 A HN 1.049 nan 8.150 nan 0.000 0.459 97 Y N -0.532 119.579 120.300 -0.315 0.000 2.720 97 Y HA 0.280 5.006 4.550 0.294 0.000 0.268 97 Y C 1.454 177.142 175.900 -0.354 0.000 1.142 97 Y CA -0.453 57.437 58.100 -0.349 0.000 1.193 97 Y CB -0.243 38.036 38.460 -0.301 0.000 1.176 97 Y HN 0.426 nan 8.280 nan 0.000 0.542 98 I N -2.187 118.202 120.570 -0.302 0.000 2.761 98 I HA 0.013 4.359 4.170 0.293 0.000 0.261 98 I C 1.247 177.122 176.117 -0.402 0.000 1.198 98 I CA 0.269 61.381 61.300 -0.314 0.000 1.482 98 I CB -0.519 37.297 38.000 -0.308 0.000 1.100 98 I HN 0.118 nan 8.210 nan 0.000 0.445 99 T N -0.869 113.339 114.554 -0.578 0.000 2.860 99 T HA 0.266 4.792 4.350 0.293 0.000 0.299 99 T C -1.526 172.901 174.700 -0.455 0.000 1.045 99 T CA -1.230 60.502 62.100 -0.613 0.000 1.071 99 T CB 0.893 69.288 68.868 -0.788 0.000 0.985 99 T HN -0.070 nan 8.240 nan 0.000 0.537 100 P HA -0.081 nan 4.420 nan 0.000 0.217 100 P C 1.571 178.520 177.300 -0.584 0.000 1.148 100 P CA 1.552 64.290 63.100 -0.604 0.000 0.828 100 P CB -0.275 30.908 31.700 -0.862 0.000 0.783 101 A N -0.381 122.123 122.820 -0.528 0.000 2.019 101 A HA -0.052 4.444 4.320 0.293 0.000 0.219 101 A C 2.430 179.652 177.584 -0.603 0.000 1.164 101 A CA 1.746 53.449 52.037 -0.557 0.000 0.644 101 A CB -1.779 16.796 19.000 -0.709 0.000 0.805 101 A HN 0.282 nan 8.150 nan 0.000 0.449 102 G N -0.058 108.459 108.800 -0.471 0.000 2.450 102 G HA2 -0.237 3.899 3.960 0.293 0.000 0.220 102 G HA3 -0.237 3.899 3.960 0.293 0.000 0.220 102 G C 1.290 176.125 174.900 -0.108 0.000 1.130 102 G CA 0.944 45.885 45.100 -0.265 0.000 0.760 102 G HN 0.709 nan 8.290 nan 0.000 0.557 103 E N -0.007 120.127 120.200 -0.110 0.000 2.268 103 E HA -0.075 4.451 4.350 0.293 0.000 0.195 103 E C 1.991 178.572 176.600 -0.032 0.000 0.995 103 E CA 1.312 57.688 56.400 -0.040 0.000 0.836 103 E CB -0.063 29.683 29.700 0.076 0.000 0.763 103 E HN 0.594 nan 8.360 nan 0.000 0.491 104 T N -3.471 111.070 114.554 -0.022 0.000 3.182 104 T HA 0.443 4.969 4.350 0.293 0.000 0.277 104 T C 1.130 175.953 174.700 0.206 0.000 1.013 104 T CA 0.072 62.215 62.100 0.071 0.000 0.900 104 T CB 1.046 69.961 68.868 0.079 0.000 1.098 104 T HN 0.207 nan 8.240 nan 0.000 0.543 105 G N 0.722 109.546 108.800 0.039 0.000 2.179 105 G HA2 -0.085 4.051 3.960 0.293 0.000 0.220 105 G HA3 -0.085 4.051 3.960 0.293 0.000 0.220 105 G C 0.544 175.235 174.900 -0.349 0.000 0.990 105 G CA -0.438 44.717 45.100 0.090 0.000 0.646 105 G HN 0.983 nan 8.290 nan 0.000 0.517 106 G N 0.974 109.093 108.800 -1.136 0.000 2.916 106 G HA2 0.641 4.777 3.960 0.293 0.000 0.280 106 G HA3 0.641 4.777 3.960 0.293 0.000 0.280 106 G C 0.659 174.944 174.900 -1.025 0.000 0.758 106 G CA 1.157 45.130 45.100 -1.878 0.000 1.993 106 G HN 1.509 nan 8.290 nan 0.000 0.564 107 A N 1.767 124.064 122.820 -0.872 0.000 2.407 107 A HA 0.690 5.186 4.320 0.293 0.000 0.248 107 A C 0.558 177.766 177.584 -0.626 0.000 1.082 107 A CA -0.356 51.089 52.037 -0.985 0.000 0.785 107 A CB 0.367 18.754 19.000 -1.021 0.000 1.020 107 A HN 1.011 nan 8.150 nan 0.000 0.489 108 I N -1.064 119.161 120.570 -0.575 0.000 3.436 108 I HA 0.828 5.174 4.170 0.293 0.000 0.300 108 I C 0.699 176.660 176.117 -0.260 0.000 1.131 108 I CA -1.230 59.858 61.300 -0.353 0.000 1.001 108 I CB 1.120 38.912 38.000 -0.347 0.000 1.305 108 I HN 0.654 nan 8.210 nan 0.000 0.494 109 G N 0.655 109.378 108.800 -0.129 0.000 2.391 109 G HA2 0.164 4.300 3.960 0.293 0.000 0.234 109 G HA3 0.164 4.300 3.960 0.293 0.000 0.234 109 G C 0.497 175.333 174.900 -0.107 0.000 1.284 109 G CA -0.196 44.858 45.100 -0.077 0.000 0.873 109 G HN 0.951 nan 8.290 nan 0.000 0.549 110 R N 1.620 122.061 120.500 -0.099 0.000 2.308 110 R HA 0.242 4.758 4.340 0.293 0.000 0.202 110 R C 0.927 177.171 176.300 -0.094 0.000 0.898 110 R CA -0.525 55.505 56.100 -0.117 0.000 1.046 110 R CB 0.130 30.339 30.300 -0.152 0.000 1.026 110 R HN 0.375 nan 8.270 nan 0.000 0.512 111 L N 2.769 123.957 121.223 -0.058 0.000 2.534 111 L HA 0.115 4.631 4.340 0.293 0.000 0.271 111 L C 0.451 177.158 176.870 -0.271 0.000 1.178 111 L CA 1.463 56.245 54.840 -0.097 0.000 0.907 111 L CB 0.523 42.579 42.059 -0.006 0.000 1.164 111 L HN 0.814 nan 8.230 nan 0.000 0.482 112 G N 3.614 112.047 108.800 -0.613 0.000 2.203 112 G HA2 -0.355 3.781 3.960 0.293 0.000 0.263 112 G HA3 -0.355 3.781 3.960 0.293 0.000 0.263 112 G C 0.481 175.096 174.900 -0.475 0.000 1.012 112 G CA 0.769 45.122 45.100 -1.245 0.000 0.749 112 G HN 0.768 nan 8.290 nan 0.000 0.512 113 N N -0.174 118.375 118.700 -0.252 0.000 2.451 113 N HA 0.227 5.143 4.740 0.293 0.000 0.271 113 N C -0.093 175.370 175.510 -0.078 0.000 1.410 113 N CA -0.061 52.924 53.050 -0.108 0.000 0.884 113 N CB 0.374 38.812 38.487 -0.081 0.000 1.332 113 N HN 0.523 nan 8.380 nan 0.000 0.498 114 Q N -0.025 119.742 119.800 -0.055 0.000 2.444 114 Q HA 0.460 4.976 4.340 0.293 0.000 0.251 114 Q C -0.557 175.491 176.000 0.081 0.000 0.939 114 Q CA -0.363 55.442 55.803 0.004 0.000 0.740 114 Q CB 1.760 30.502 28.738 0.006 0.000 1.308 114 Q HN 0.262 nan 8.270 nan 0.000 0.461 115 A N 2.018 124.901 122.820 0.105 0.000 2.275 115 A HA 0.032 4.528 4.320 0.293 0.000 0.212 115 A C 0.401 178.116 177.584 0.218 0.000 1.201 115 A CA 0.166 52.321 52.037 0.198 0.000 0.843 115 A CB 0.074 19.189 19.000 0.192 0.000 0.873 115 A HN 0.695 nan 8.150 nan 0.000 0.492 116 D N -0.978 119.514 120.400 0.153 0.000 2.348 116 D HA 0.270 5.086 4.640 0.293 0.000 0.249 116 D C -0.643 175.778 176.300 0.201 0.000 1.110 116 D CA -0.193 53.904 54.000 0.161 0.000 0.967 116 D CB 0.435 41.309 40.800 0.123 0.000 1.139 116 D HN -0.162 nan 8.370 nan 0.000 0.466 117 T N 1.356 116.026 114.554 0.192 0.000 3.029 117 T HA 0.160 4.686 4.350 0.293 0.000 0.346 117 T C -1.099 173.717 174.700 0.193 0.000 1.211 117 T CA -0.365 61.843 62.100 0.180 0.000 1.009 117 T CB -0.716 68.238 68.868 0.143 0.000 1.084 117 T HN 0.297 nan 8.240 nan 0.000 0.536 118 Y N 3.880 124.258 120.300 0.130 0.000 2.328 118 Y HA 0.617 5.343 4.550 0.293 0.000 0.337 118 Y C -0.816 175.203 175.900 0.198 0.000 1.008 118 Y CA -0.784 57.404 58.100 0.147 0.000 1.129 118 Y CB 0.836 39.394 38.460 0.164 0.000 1.185 118 Y HN 0.295 nan 8.280 nan 0.000 0.476 119 V N 5.929 125.579 119.914 -0.441 0.000 2.709 119 V HA 0.406 4.702 4.120 0.293 0.000 0.308 119 V C -1.076 174.840 176.094 -0.296 0.000 1.062 119 V CA -1.064 61.118 62.300 -0.197 0.000 0.901 119 V CB 2.051 33.846 31.823 -0.046 0.000 1.003 119 V HN 0.729 nan 8.190 nan 0.000 0.425 120 E N 3.979 124.154 120.200 -0.042 0.000 2.191 120 E HA 0.605 5.131 4.350 0.293 0.000 0.263 120 E C -1.260 175.376 176.600 0.060 0.000 0.881 120 E CA -0.533 55.872 56.400 0.008 0.000 0.757 120 E CB 2.231 31.992 29.700 0.101 0.000 1.147 120 E HN 0.591 nan 8.360 nan 0.000 0.414 121 M N 2.929 122.588 119.600 0.098 0.000 2.114 121 M HA 0.349 5.005 4.480 0.293 0.000 0.332 121 M C -0.762 175.637 176.300 0.165 0.000 1.014 121 M CA -0.643 54.791 55.300 0.222 0.000 0.956 121 M CB 1.185 33.981 32.600 0.326 0.000 1.551 121 M HN 0.181 nan 8.290 nan 0.000 0.427 122 N N 5.335 124.098 118.700 0.104 0.000 2.469 122 N HA 0.482 5.398 4.740 0.293 0.000 0.253 122 N C -1.402 174.184 175.510 0.127 0.000 0.970 122 N CA -0.252 52.826 53.050 0.046 0.000 0.940 122 N CB 1.631 40.095 38.487 -0.037 0.000 1.128 122 N HN 0.593 nan 8.380 nan 0.000 0.503 123 L N 1.958 123.261 121.223 0.134 0.000 2.287 123 L HA 0.459 4.975 4.340 0.293 0.000 0.287 123 L C 0.410 177.301 176.870 0.035 0.000 1.022 123 L CA -0.461 54.499 54.840 0.201 0.000 0.814 123 L CB 1.179 43.456 42.059 0.363 0.000 1.217 123 L HN 0.261 nan 8.230 nan 0.000 0.420 124 E N 1.819 121.974 120.200 -0.074 0.000 2.312 124 E HA 0.365 4.891 4.350 0.293 0.000 0.267 124 E C -1.197 175.488 176.600 0.141 0.000 0.894 124 E CA -0.807 55.563 56.400 -0.050 0.000 0.773 124 E CB 2.829 32.445 29.700 -0.140 0.000 1.241 124 E HN 0.469 nan 8.360 nan 0.000 0.432 125 H N 2.642 121.788 119.070 0.127 0.000 2.866 125 H HA 0.282 5.014 4.556 0.293 0.000 0.287 125 H C -1.132 174.257 175.328 0.101 0.000 1.106 125 H CA -0.463 55.689 56.048 0.173 0.000 1.396 125 H CB 0.590 30.501 29.762 0.248 0.000 1.469 125 H HN 0.349 nan 8.280 nan 0.000 0.500 126 K N 2.979 123.265 120.400 -0.192 0.000 2.095 126 K HA 0.281 4.777 4.320 0.293 0.000 0.252 126 K C -0.444 175.996 176.600 -0.267 0.000 0.977 126 K CA -0.725 55.465 56.287 -0.160 0.000 0.900 126 K CB 1.972 34.419 32.500 -0.089 0.000 1.060 126 K HN 0.580 nan 8.250 nan 0.000 0.449 127 Q N 1.012 120.729 119.800 -0.138 0.000 2.327 127 Q HA 0.221 4.737 4.340 0.293 0.000 0.265 127 Q C -1.809 174.164 176.000 -0.045 0.000 0.993 127 Q CA -0.471 55.269 55.803 -0.106 0.000 0.885 127 Q CB 2.206 30.892 28.738 -0.085 0.000 1.379 127 Q HN 0.550 nan 8.270 nan 0.000 0.408 128 T N 4.091 118.625 114.554 -0.034 0.000 2.809 128 T HA 0.493 5.019 4.350 0.293 0.000 0.284 128 T C -0.828 173.866 174.700 -0.011 0.000 0.992 128 T CA -0.434 61.654 62.100 -0.019 0.000 0.957 128 T CB 0.618 69.476 68.868 -0.017 0.000 0.942 128 T HN 0.407 nan 8.240 nan 0.000 0.439 129 L N 3.269 124.488 121.223 -0.007 0.000 2.357 129 L HA 0.336 4.852 4.340 0.293 0.000 0.273 129 L C 1.528 178.398 176.870 -0.001 0.000 1.080 129 L CA -0.322 54.517 54.840 -0.002 0.000 0.803 129 L CB 0.744 42.803 42.059 -0.001 0.000 1.174 129 L HN 0.627 nan 8.230 nan 0.000 0.443 130 D N 0.146 120.547 120.400 0.002 0.000 2.239 130 D HA -0.252 4.564 4.640 0.293 0.000 0.202 130 D C 0.970 177.272 176.300 0.004 0.000 0.993 130 D CA 1.604 55.606 54.000 0.003 0.000 0.874 130 D CB -0.624 40.178 40.800 0.005 0.000 0.922 130 D HN 0.646 nan 8.370 nan 0.000 0.464 131 N N -0.666 118.036 118.700 0.003 0.000 2.449 131 N HA 0.106 5.022 4.740 0.293 0.000 0.191 131 N C 1.561 177.073 175.510 0.003 0.000 1.161 131 N CA 0.659 53.712 53.050 0.005 0.000 0.863 131 N CB 0.205 38.697 38.487 0.007 0.000 0.980 131 N HN 0.389 nan 8.380 nan 0.000 0.458 132 G N -1.110 107.690 108.800 -0.001 0.000 2.268 132 G HA2 -0.260 3.876 3.960 0.293 0.000 0.240 132 G HA3 -0.260 3.876 3.960 0.293 0.000 0.240 132 G C 0.314 175.208 174.900 -0.011 0.000 1.010 132 G CA 0.112 45.210 45.100 -0.003 0.000 0.618 132 G HN 0.846 nan 8.290 nan 0.000 0.516 133 A N 1.098 123.909 122.820 -0.016 0.000 2.520 133 A HA 0.594 5.090 4.320 0.293 0.000 0.245 133 A C 0.889 178.460 177.584 -0.023 0.000 1.072 133 A CA 1.610 53.629 52.037 -0.030 0.000 0.761 133 A CB 0.040 19.018 19.000 -0.035 0.000 1.004 133 A HN 1.826 nan 8.150 nan 0.000 0.499 134 T N -0.323 114.216 114.554 -0.026 0.000 2.918 134 T HA 0.739 5.264 4.350 0.293 0.000 0.286 134 T C -0.220 174.478 174.700 -0.003 0.000 1.026 134 T CA -0.589 61.502 62.100 -0.014 0.000 1.031 134 T CB 1.732 70.594 68.868 -0.010 0.000 1.046 134 T HN 0.497 nan 8.240 nan 0.000 0.479 135 T N 1.687 116.246 114.554 0.009 0.000 2.881 135 T HA 0.647 5.173 4.350 0.293 0.000 0.290 135 T C -1.005 173.722 174.700 0.045 0.000 1.000 135 T CA -0.751 61.372 62.100 0.038 0.000 0.978 135 T CB 1.302 70.200 68.868 0.050 0.000 0.997 135 T HN 0.772 nan 8.240 nan 0.000 0.443 136 R N 3.118 123.663 120.500 0.074 0.000 2.564 136 R HA 0.602 5.118 4.340 0.293 0.000 0.284 136 R C -2.039 174.296 176.300 0.058 0.000 1.031 136 R CA -0.670 55.459 56.100 0.049 0.000 0.904 136 R CB 1.285 31.586 30.300 0.001 0.000 1.199 136 R HN 0.551 nan 8.270 nan 0.000 0.443 137 F N 3.920 123.826 119.950 -0.074 0.000 2.520 137 F HA 0.558 5.262 4.527 0.295 0.000 0.322 137 F C -1.341 174.308 175.800 -0.252 0.000 1.103 137 F CA -0.556 57.352 58.000 -0.154 0.000 0.926 137 F CB 1.534 40.522 39.000 -0.020 0.000 1.154 137 F HN 0.456 nan 8.300 nan 0.000 0.453 138 K N 5.820 125.210 120.400 -1.682 0.000 2.498 138 K HA 0.747 5.243 4.320 0.293 0.000 0.254 138 K C -2.224 173.652 176.600 -1.208 0.000 0.933 138 K CA -0.774 54.738 56.287 -1.291 0.000 0.806 138 K CB 2.232 34.108 32.500 -1.040 0.000 1.301 138 K HN 0.541 nan 8.250 nan 0.000 0.432 139 V N 2.198 121.735 119.914 -0.628 0.000 2.656 139 V HA 0.576 4.872 4.120 0.293 0.000 0.307 139 V C -0.569 175.453 176.094 -0.120 0.000 1.051 139 V CA -0.981 61.165 62.300 -0.256 0.000 0.893 139 V CB 1.611 33.427 31.823 -0.012 0.000 0.999 139 V HN 0.929 nan 8.190 nan 0.000 0.426 140 M N 4.232 123.789 119.600 -0.071 0.000 2.190 140 M HA 0.746 5.402 4.480 0.293 0.000 0.312 140 M C -2.050 174.260 176.300 0.016 0.000 0.990 140 M CA -0.490 54.788 55.300 -0.036 0.000 0.927 140 M CB 1.868 34.406 32.600 -0.105 0.000 1.571 140 M HN 0.552 nan 8.290 nan 0.000 0.427 141 V N 4.494 124.435 119.914 0.045 0.000 2.448 141 V HA 0.895 5.191 4.120 0.293 0.000 0.295 141 V C -0.308 175.802 176.094 0.027 0.000 1.025 141 V CA -0.467 61.861 62.300 0.047 0.000 0.859 141 V CB 1.315 33.174 31.823 0.060 0.000 0.988 141 V HN 0.964 nan 8.190 nan 0.000 0.431 142 A N 3.874 126.699 122.820 0.010 0.000 2.469 142 A HA 0.937 5.433 4.320 0.293 0.000 0.299 142 A C -1.308 176.224 177.584 -0.087 0.000 1.098 142 A CA -0.544 51.452 52.037 -0.068 0.000 0.737 142 A CB 2.106 21.089 19.000 -0.028 0.000 1.312 142 A HN 0.812 nan 8.150 nan 0.000 0.414 143 D N -1.109 119.172 120.400 -0.198 0.000 2.803 143 D HA 0.547 5.363 4.640 0.293 0.000 0.218 143 D C -0.576 175.629 176.300 -0.157 0.000 1.245 143 D CA 0.446 54.374 54.000 -0.119 0.000 0.821 143 D CB 1.817 42.568 40.800 -0.082 0.000 1.626 143 D HN 0.906 nan 8.370 nan 0.000 0.487 144 G N 2.034 110.846 108.800 0.020 0.000 2.707 144 G HA2 0.568 4.704 3.960 0.293 0.000 0.299 144 G HA3 0.568 4.704 3.960 0.293 0.000 0.299 144 G C -1.383 173.571 174.900 0.090 0.000 1.442 144 G CA -0.580 44.617 45.100 0.162 0.000 1.009 144 G HN 0.226 nan 8.290 nan 0.000 0.515 145 Q N 0.688 120.540 119.800 0.086 0.000 2.375 145 Q HA 0.419 4.935 4.340 0.293 0.000 0.271 145 Q C 0.758 176.792 176.000 0.057 0.000 1.074 145 Q CA -0.691 55.142 55.803 0.050 0.000 0.808 145 Q CB 2.141 30.902 28.738 0.037 0.000 1.327 145 Q HN 0.739 nan 8.270 nan 0.000 0.441 146 T N -2.960 111.600 114.554 0.010 0.000 3.037 146 T HA 0.066 4.592 4.350 0.293 0.000 0.251 146 T C 1.042 175.681 174.700 -0.102 0.000 1.079 146 T CA 0.098 62.181 62.100 -0.029 0.000 1.067 146 T CB 0.288 69.118 68.868 -0.065 0.000 0.948 146 T HN 0.325 nan 8.240 nan 0.000 0.496 147 S N 0.408 116.074 115.700 -0.057 0.000 2.549 147 S HA 0.170 4.816 4.470 0.293 0.000 0.283 147 S C 0.304 174.951 174.600 0.078 0.000 1.320 147 S CA -0.629 57.537 58.200 -0.056 0.000 1.058 147 S CB 0.056 63.255 63.200 -0.002 0.000 0.882 147 S HN 0.328 nan 8.310 nan 0.000 0.498 148 Y N 2.895 123.226 120.300 0.052 0.000 2.511 148 Y HA 0.253 4.979 4.550 0.293 0.000 0.279 148 Y C 1.009 176.945 175.900 0.060 0.000 1.157 148 Y CA -0.692 57.442 58.100 0.057 0.000 1.300 148 Y CB -0.728 37.767 38.460 0.058 0.000 1.052 148 Y HN 0.522 nan 8.280 nan 0.000 0.529 149 N N 1.046 119.871 118.700 0.208 0.000 2.444 149 N HA -0.041 4.875 4.740 0.293 0.000 0.255 149 N C 0.747 176.350 175.510 0.154 0.000 1.255 149 N CA 0.488 53.639 53.050 0.167 0.000 0.933 149 N CB 0.520 39.098 38.487 0.152 0.000 1.143 149 N HN 0.319 nan 8.380 nan 0.000 0.453 150 D N -1.673 118.827 120.400 0.166 0.000 2.349 150 D HA -0.039 4.777 4.640 0.293 0.000 0.224 150 D C -0.310 176.149 176.300 0.265 0.000 1.029 150 D CA 0.180 54.285 54.000 0.176 0.000 0.879 150 D CB 0.108 41.002 40.800 0.158 0.000 0.906 150 D HN 0.407 nan 8.370 nan 0.000 0.528 151 W N 1.728 123.052 121.300 0.040 0.000 2.835 151 W HA 0.272 5.108 4.660 0.294 0.000 0.326 151 W C -0.965 175.573 176.519 0.031 0.000 1.024 151 W CA -0.736 56.628 57.345 0.031 0.000 1.267 151 W CB 1.898 31.373 29.460 0.025 0.000 1.267 151 W HN -0.108 nan 8.180 nan 0.000 0.412 152 T N 1.294 115.674 114.554 -0.290 0.000 3.331 152 T HA 0.309 4.835 4.350 0.293 0.000 0.282 152 T C 1.256 175.768 174.700 -0.314 0.000 1.010 152 T CA 0.347 62.329 62.100 -0.197 0.000 0.928 152 T CB 0.699 69.504 68.868 -0.104 0.000 1.154 152 T HN 0.328 nan 8.240 nan 0.000 0.516 153 A N 2.492 124.953 122.820 -0.598 0.000 1.917 153 A HA -0.114 4.382 4.320 0.293 0.000 0.219 153 A C 2.600 180.107 177.584 -0.128 0.000 1.182 153 A CA 2.163 53.953 52.037 -0.411 0.000 0.633 153 A CB -1.126 17.642 19.000 -0.386 0.000 0.819 153 A HN 0.805 nan 8.150 nan 0.000 0.448 154 S N -0.705 114.977 115.700 -0.031 0.000 2.423 154 S HA -0.110 4.536 4.470 0.293 0.000 0.231 154 S C 1.471 176.063 174.600 -0.013 0.000 1.014 154 S CA 1.747 59.953 58.200 0.011 0.000 0.965 154 S CB -0.903 62.328 63.200 0.053 0.000 0.785 154 S HN 0.859 nan 8.310 nan 0.000 0.495 155 T N -1.481 113.053 114.554 -0.033 0.000 3.132 155 T HA 0.359 4.885 4.350 0.293 0.000 0.274 155 T C 0.333 175.007 174.700 -0.043 0.000 1.011 155 T CA -0.167 61.916 62.100 -0.030 0.000 0.899 155 T CB 0.063 68.918 68.868 -0.021 0.000 1.089 155 T HN 0.217 nan 8.240 nan 0.000 0.543 156 S N 1.356 117.015 115.700 -0.069 0.000 2.546 156 S HA 0.108 4.754 4.470 0.293 0.000 0.290 156 S C 0.217 174.791 174.600 -0.044 0.000 1.290 156 S CA -0.148 58.007 58.200 -0.075 0.000 1.069 156 S CB 0.075 63.204 63.200 -0.118 0.000 0.846 156 S HN 0.324 nan 8.310 nan 0.000 0.495 157 D N 2.994 123.375 120.400 -0.032 0.000 2.462 157 D HA 0.185 5.001 4.640 0.293 0.000 0.221 157 D C -0.379 175.915 176.300 -0.010 0.000 1.173 157 D CA -0.317 53.676 54.000 -0.012 0.000 0.831 157 D CB -0.006 40.798 40.800 0.006 0.000 1.001 157 D HN 0.333 nan 8.370 nan 0.000 0.499 158 L N 2.396 123.604 121.223 -0.026 0.000 2.660 158 L HA 0.047 4.562 4.340 0.293 0.000 0.272 158 L C 0.223 177.094 176.870 0.000 0.000 1.194 158 L CA 0.600 55.427 54.840 -0.022 0.000 0.945 158 L CB -0.899 41.138 42.059 -0.036 0.000 1.212 158 L HN 0.204 nan 8.230 nan 0.000 0.490 159 N N 1.684 120.394 118.700 0.016 0.000 2.405 159 N HA 0.399 5.315 4.740 0.293 0.000 0.274 159 N C -1.487 174.054 175.510 0.051 0.000 1.170 159 N CA -1.042 52.029 53.050 0.035 0.000 0.848 159 N CB 1.277 39.789 38.487 0.042 0.000 1.629 159 N HN 0.045 nan 8.380 nan 0.000 0.481 160 V N 2.673 122.621 119.914 0.056 0.000 2.421 160 V HA 0.118 4.414 4.120 0.293 0.000 0.271 160 V C 1.353 177.495 176.094 0.080 0.000 1.031 160 V CA -0.178 62.161 62.300 0.064 0.000 1.032 160 V CB 0.121 31.985 31.823 0.068 0.000 1.009 160 V HN 0.743 nan 8.190 nan 0.000 0.477 161 R N 2.997 123.546 120.500 0.082 0.000 2.173 161 R HA 0.184 4.700 4.340 0.293 0.000 0.208 161 R C 0.276 176.596 176.300 0.033 0.000 1.035 161 R CA 0.520 56.696 56.100 0.128 0.000 1.004 161 R CB 0.401 30.829 30.300 0.214 0.000 0.917 161 R HN 0.701 nan 8.270 nan 0.000 0.462 162 Q N -1.226 118.553 119.800 -0.034 0.000 2.418 162 Q HA 0.640 5.156 4.340 0.293 0.000 0.282 162 Q C -1.699 174.330 176.000 0.048 0.000 1.044 162 Q CA -0.709 55.076 55.803 -0.030 0.000 0.813 162 Q CB 2.975 31.609 28.738 -0.174 0.000 1.428 162 Q HN 0.110 nan 8.270 nan 0.000 0.402 163 A N 2.043 124.956 122.820 0.156 0.000 2.562 163 A HA 0.626 5.122 4.320 0.293 0.000 0.297 163 A C -1.549 176.205 177.584 0.284 0.000 1.100 163 A CA -0.520 51.597 52.037 0.134 0.000 0.914 163 A CB 0.158 19.279 19.000 0.202 0.000 1.490 163 A HN 0.611 nan 8.150 nan 0.000 0.391 164 F N 0.265 120.200 119.950 -0.025 0.000 2.662 164 F HA 0.898 5.601 4.527 0.293 0.000 0.312 164 F C -1.300 174.589 175.800 0.149 0.000 1.113 164 F CA -1.398 56.665 58.000 0.104 0.000 0.951 164 F CB 1.255 40.307 39.000 0.087 0.000 1.344 164 F HN 0.224 nan 8.300 nan 0.000 0.462 165 V N 1.067 121.212 119.914 0.385 0.000 2.680 165 V HA 0.518 4.814 4.120 0.293 0.000 0.309 165 V C -0.912 175.408 176.094 0.378 0.000 1.052 165 V CA -0.698 61.770 62.300 0.280 0.000 0.908 165 V CB 1.818 33.795 31.823 0.256 0.000 1.001 165 V HN 0.843 nan 8.190 nan 0.000 0.431 166 E N 3.650 124.015 120.200 0.276 0.000 2.224 166 E HA 0.567 5.093 4.350 0.293 0.000 0.265 166 E C -1.460 175.237 176.600 0.162 0.000 0.878 166 E CA -0.575 56.001 56.400 0.294 0.000 0.759 166 E CB 2.306 32.186 29.700 0.299 0.000 1.164 166 E HN 0.501 nan 8.360 nan 0.000 0.414 167 L N 2.912 124.209 121.223 0.122 0.000 2.277 167 L HA 0.537 5.053 4.340 0.293 0.000 0.284 167 L C 0.344 177.198 176.870 -0.027 0.000 1.028 167 L CA -0.653 54.199 54.840 0.020 0.000 0.835 167 L CB 1.313 43.354 42.059 -0.029 0.000 1.215 167 L HN 0.555 nan 8.230 nan 0.000 0.425 168 G N 0.997 109.781 108.800 -0.025 0.000 2.432 168 G HA2 0.289 4.425 3.960 0.293 0.000 0.331 168 G HA3 0.289 4.425 3.960 0.293 0.000 0.331 168 G C 0.030 174.880 174.900 -0.082 0.000 1.170 168 G CA -0.575 44.503 45.100 -0.038 0.000 0.943 168 G HN 0.704 nan 8.290 nan 0.000 0.483 169 N N -0.704 117.950 118.700 -0.077 0.000 2.669 169 N HA -0.176 4.740 4.740 0.293 0.000 0.266 169 N C -0.258 175.195 175.510 -0.095 0.000 1.024 169 N CA 0.274 53.288 53.050 -0.059 0.000 0.766 169 N CB -1.181 37.293 38.487 -0.022 0.000 0.898 169 N HN 0.487 nan 8.380 nan 0.000 0.548 170 L N 1.201 122.295 121.223 -0.216 0.000 2.360 170 L HA 0.258 4.774 4.340 0.293 0.000 0.276 170 L C -0.527 176.330 176.870 -0.021 0.000 1.121 170 L CA -1.612 53.105 54.840 -0.205 0.000 0.845 170 L CB 0.713 42.457 42.059 -0.524 0.000 1.143 170 L HN 0.239 nan 8.230 nan 0.000 0.452 171 P HA -0.149 nan 4.420 nan 0.000 0.221 171 P C 1.239 178.602 177.300 0.105 0.000 1.145 171 P CA 1.169 64.302 63.100 0.056 0.000 0.795 171 P CB 0.327 32.048 31.700 0.035 0.000 0.775 172 T N -1.378 113.268 114.554 0.153 0.000 3.043 172 T HA 0.085 4.611 4.350 0.293 0.000 0.263 172 T C 0.243 175.134 174.700 0.317 0.000 1.094 172 T CA 0.099 62.321 62.100 0.204 0.000 1.127 172 T CB -0.388 68.597 68.868 0.196 0.000 0.905 172 T HN -0.148 nan 8.240 nan 0.000 0.490 173 F N 2.194 122.158 119.950 0.023 0.000 2.421 173 F HA 0.626 5.329 4.527 0.293 0.000 0.358 173 F C 0.585 176.444 175.800 0.097 0.000 1.115 173 F CA -1.763 56.270 58.000 0.056 0.000 1.160 173 F CB 0.052 39.104 39.000 0.086 0.000 1.123 173 F HN 0.009 nan 8.300 nan 0.000 0.508 174 A N 2.113 125.063 122.820 0.217 0.000 2.437 174 A HA 0.900 5.396 4.320 0.293 0.000 0.288 174 A C 0.535 178.221 177.584 0.170 0.000 1.201 174 A CA -0.163 51.974 52.037 0.166 0.000 0.795 174 A CB 0.658 19.722 19.000 0.106 0.000 1.359 174 A HN 1.276 nan 8.150 nan 0.000 0.435 175 G N -0.237 108.625 108.800 0.103 0.000 2.556 175 G HA2 -0.214 3.922 3.960 0.293 0.000 0.283 175 G HA3 -0.214 3.922 3.960 0.293 0.000 0.283 175 G C -0.983 173.908 174.900 -0.016 0.000 1.177 175 G CA 0.405 45.543 45.100 0.064 0.000 0.978 175 G HN 0.901 nan 8.290 nan 0.000 0.554 176 P HA 0.061 nan 4.420 nan 0.000 0.225 176 P C 1.320 178.300 177.300 -0.534 0.000 1.148 176 P CA 1.469 64.293 63.100 -0.459 0.000 0.779 176 P CB -0.157 31.059 31.700 -0.807 0.000 0.780 177 F N -0.032 119.876 119.950 -0.070 0.000 2.765 177 F HA 0.168 4.871 4.527 0.294 0.000 0.302 177 F C 2.268 178.169 175.800 0.168 0.000 1.111 177 F CA -0.021 58.010 58.000 0.051 0.000 1.359 177 F CB -0.556 38.434 39.000 -0.016 0.000 1.097 177 F HN -0.205 nan 8.300 nan 0.000 0.577 178 K N 1.540 122.059 120.400 0.197 0.000 1.998 178 K HA -0.187 4.309 4.320 0.293 0.000 0.228 178 K C 1.899 178.583 176.600 0.139 0.000 1.053 178 K CA 1.992 58.376 56.287 0.161 0.000 0.988 178 K CB -1.084 31.462 32.500 0.077 0.000 0.735 178 K HN 0.230 nan 8.250 nan 0.000 0.448 179 G N 0.005 108.855 108.800 0.083 0.000 3.702 179 G HA2 0.186 4.322 3.960 0.293 0.000 0.288 179 G HA3 0.186 4.322 3.960 0.293 0.000 0.288 179 G C -0.440 174.503 174.900 0.071 0.000 1.193 179 G CA 0.178 45.313 45.100 0.057 0.000 0.952 179 G HN 0.464 nan 8.290 nan 0.000 0.544 180 S N -0.676 115.108 115.700 0.140 0.000 2.617 180 S HA 0.634 5.280 4.470 0.293 0.000 0.269 180 S C -0.027 174.663 174.600 0.149 0.000 1.292 180 S CA -0.340 57.971 58.200 0.184 0.000 1.010 180 S CB 1.986 65.378 63.200 0.321 0.000 0.944 180 S HN 0.162 nan 8.310 nan 0.000 0.536 181 T N 2.235 116.914 114.554 0.208 0.000 2.840 181 T HA 0.442 4.968 4.350 0.293 0.000 0.287 181 T C -0.699 174.173 174.700 0.285 0.000 0.991 181 T CA -0.800 61.417 62.100 0.196 0.000 0.964 181 T CB 0.239 69.229 68.868 0.203 0.000 0.954 181 T HN 0.675 nan 8.240 nan 0.000 0.438 182 L N 6.958 128.285 121.223 0.174 0.000 2.350 182 L HA 0.704 5.220 4.340 0.293 0.000 0.275 182 L C -0.394 176.619 176.870 0.239 0.000 1.099 182 L CA -0.744 54.184 54.840 0.146 0.000 0.808 182 L CB 0.761 42.859 42.059 0.064 0.000 1.149 182 L HN 0.747 nan 8.230 nan 0.000 0.442 183 W N 3.373 124.705 121.300 0.053 0.000 3.075 183 W HA 0.810 5.648 4.660 0.295 0.000 0.334 183 W C -1.867 174.667 176.519 0.025 0.000 1.243 183 W CA -1.133 56.264 57.345 0.088 0.000 1.170 183 W CB 1.507 31.049 29.460 0.136 0.000 1.452 183 W HN 0.634 nan 8.180 nan 0.000 0.572 184 A N 1.154 124.172 122.820 0.330 0.000 2.605 184 A HA 0.852 5.348 4.320 0.293 0.000 0.294 184 A C -0.190 177.629 177.584 0.391 0.000 1.062 184 A CA 0.162 52.245 52.037 0.077 0.000 0.682 184 A CB 0.794 19.747 19.000 -0.078 0.000 1.278 184 A HN 2.481 nan 8.150 nan 0.000 0.410 185 G N 0.270 109.253 108.800 0.305 0.000 2.352 185 G HA2 0.317 4.453 3.960 0.293 0.000 0.324 185 G HA3 0.317 4.453 3.960 0.293 0.000 0.324 185 G C -0.583 174.508 174.900 0.318 0.000 1.249 185 G CA -0.162 45.124 45.100 0.311 0.000 1.053 185 G HN 1.241 nan 8.290 nan 0.000 0.492 186 K N 0.808 121.365 120.400 0.261 0.000 2.234 186 K HA 0.696 5.192 4.320 0.293 0.000 0.277 186 K C 0.402 177.056 176.600 0.091 0.000 1.038 186 K CA -0.470 55.929 56.287 0.188 0.000 0.888 186 K CB 0.552 33.145 32.500 0.155 0.000 1.091 186 K HN 0.930 nan 8.250 nan 0.000 0.467 187 R N 2.026 122.506 120.500 -0.033 0.000 2.733 187 R HA 0.386 4.902 4.340 0.293 0.000 0.272 187 R C -1.476 174.719 176.300 -0.175 0.000 1.029 187 R CA -0.921 54.950 56.100 -0.382 0.000 0.888 187 R CB 0.401 30.025 30.300 -1.127 0.000 1.251 187 R HN 0.125 nan 8.270 nan 0.000 0.464 188 F N 0.625 120.371 119.950 -0.340 0.000 2.404 188 F HA 0.293 4.996 4.527 0.292 0.000 0.339 188 F C 0.485 176.029 175.800 -0.427 0.000 1.105 188 F CA -1.337 56.423 58.000 -0.400 0.000 1.087 188 F CB 1.041 39.917 39.000 -0.207 0.000 1.143 188 F HN 0.629 nan 8.300 nan 0.000 0.491 189 D N 1.871 122.128 120.400 -0.239 0.000 2.493 189 D HA 0.011 4.827 4.640 0.293 0.000 0.240 189 D C 1.563 177.777 176.300 -0.143 0.000 1.142 189 D CA 0.276 54.190 54.000 -0.144 0.000 0.872 189 D CB 0.756 41.493 40.800 -0.105 0.000 1.173 189 D HN 0.549 nan 8.370 nan 0.000 0.467 190 R N 2.531 122.885 120.500 -0.243 0.000 2.133 190 R HA -0.177 4.339 4.340 0.293 0.000 0.247 190 R C 0.120 176.285 176.300 -0.226 0.000 1.151 190 R CA 1.491 57.368 56.100 -0.372 0.000 0.971 190 R CB 0.067 29.876 30.300 -0.818 0.000 0.866 190 R HN 0.556 nan 8.270 nan 0.000 0.447 191 D N 0.658 120.996 120.400 -0.104 0.000 2.370 191 D HA 0.049 4.865 4.640 0.293 0.000 0.230 191 D C -0.370 176.052 176.300 0.203 0.000 1.143 191 D CA 0.056 54.083 54.000 0.045 0.000 0.834 191 D CB -0.177 40.725 40.800 0.169 0.000 0.944 191 D HN 0.163 nan 8.370 nan 0.000 0.504 192 N N 1.044 119.809 118.700 0.108 0.000 2.399 192 N HA 0.319 5.235 4.740 0.293 0.000 0.250 192 N C -0.070 175.595 175.510 0.258 0.000 1.272 192 N CA 0.045 53.166 53.050 0.120 0.000 0.928 192 N CB 0.608 39.104 38.487 0.015 0.000 1.158 192 N HN 0.040 nan 8.380 nan 0.000 0.463 193 F N -1.746 118.225 119.950 0.035 0.000 2.654 193 F HA 0.516 5.221 4.527 0.297 0.000 0.308 193 F C -1.025 174.779 175.800 0.007 0.000 1.108 193 F CA -1.240 56.773 58.000 0.022 0.000 0.957 193 F CB 1.259 40.327 39.000 0.113 0.000 1.309 193 F HN 0.321 nan 8.300 nan 0.000 0.446 194 D N 1.269 121.696 120.400 0.045 0.000 2.585 194 D HA 0.511 5.327 4.640 0.293 0.000 0.254 194 D C -1.057 175.167 176.300 -0.127 0.000 1.067 194 D CA -0.596 53.337 54.000 -0.112 0.000 1.090 194 D CB 2.130 42.804 40.800 -0.210 0.000 1.408 194 D HN 0.693 nan 8.370 nan 0.000 0.554 195 I N 1.753 122.191 120.570 -0.220 0.000 2.412 195 I HA 0.065 4.411 4.170 0.293 0.000 0.279 195 I C 1.501 177.352 176.117 -0.443 0.000 1.063 195 I CA -0.675 60.413 61.300 -0.352 0.000 1.193 195 I CB 0.769 38.711 38.000 -0.097 0.000 1.370 195 I HN 0.468 nan 8.210 nan 0.000 0.479 196 H N 6.987 125.581 119.070 -0.794 0.000 2.321 196 H HA -0.216 4.514 4.556 0.290 0.000 0.295 196 H C 1.232 176.181 175.328 -0.632 0.000 1.102 196 H CA 2.381 57.959 56.048 -0.783 0.000 1.266 196 H CB 0.248 29.519 29.762 -0.818 0.000 1.363 196 H HN 0.631 nan 8.280 nan 0.000 0.492 197 W N 0.108 121.245 121.300 -0.272 0.000 2.611 197 W HA -0.002 4.826 4.660 0.280 0.000 0.251 197 W C 1.899 178.249 176.519 -0.282 0.000 1.265 197 W CA 0.052 57.240 57.345 -0.263 0.000 1.295 197 W CB -0.328 29.043 29.460 -0.147 0.000 1.129 197 W HN 0.243 nan 8.180 nan 0.000 0.630 198 I N 0.381 120.850 120.570 -0.169 0.000 4.081 198 I HA -0.061 4.285 4.170 0.293 0.000 0.333 198 I C 0.366 176.295 176.117 -0.313 0.000 1.413 198 I CA 0.110 61.284 61.300 -0.209 0.000 1.110 198 I CB 0.012 37.929 38.000 -0.138 0.000 1.082 198 I HN -0.279 nan 8.210 nan 0.000 0.402 199 D N 1.805 121.994 120.400 -0.352 0.000 2.701 199 D HA -0.221 4.595 4.640 0.293 0.000 0.235 199 D C -0.190 175.974 176.300 -0.226 0.000 1.155 199 D CA 0.858 54.663 54.000 -0.324 0.000 0.649 199 D CB -0.637 40.004 40.800 -0.265 0.000 1.050 199 D HN 0.270 nan 8.370 nan 0.000 0.425 200 S N -0.031 115.534 115.700 -0.225 0.000 2.557 200 S HA 0.382 5.028 4.470 0.293 0.000 0.291 200 S C -0.609 173.882 174.600 -0.181 0.000 1.116 200 S CA -0.899 57.214 58.200 -0.146 0.000 0.992 200 S CB 1.261 64.404 63.200 -0.095 0.000 1.028 200 S HN 0.113 nan 8.310 nan 0.000 0.484 201 D N 2.951 123.227 120.400 -0.205 0.000 2.357 201 D HA 0.142 4.958 4.640 0.293 0.000 0.242 201 D C 1.322 177.508 176.300 -0.191 0.000 1.153 201 D CA -0.212 53.661 54.000 -0.211 0.000 0.918 201 D CB 1.552 42.234 40.800 -0.196 0.000 1.181 201 D HN 0.326 nan 8.370 nan 0.000 0.435 202 V N 1.080 120.800 119.914 -0.322 0.000 2.331 202 V HA -0.047 4.249 4.120 0.293 0.000 0.242 202 V C 0.676 176.589 176.094 -0.302 0.000 1.034 202 V CA 0.944 63.022 62.300 -0.370 0.000 1.027 202 V CB 0.276 31.628 31.823 -0.785 0.000 0.667 202 V HN 0.341 nan 8.190 nan 0.000 0.457 203 V N -0.547 119.140 119.914 -0.377 0.000 2.760 203 V HA 0.514 4.810 4.120 0.293 0.000 0.309 203 V C -1.284 174.757 176.094 -0.088 0.000 1.077 203 V CA -0.583 61.614 62.300 -0.172 0.000 0.910 203 V CB 2.215 33.961 31.823 -0.128 0.000 1.008 203 V HN 0.224 nan 8.190 nan 0.000 0.424 204 F N 5.730 125.531 119.950 -0.249 0.000 2.646 204 F HA 0.709 5.410 4.527 0.291 0.000 0.364 204 F C -1.179 174.437 175.800 -0.307 0.000 1.137 204 F CA -0.822 57.008 58.000 -0.284 0.000 1.085 204 F CB 1.377 40.190 39.000 -0.313 0.000 1.331 204 F HN 0.443 nan 8.300 nan 0.000 0.472 205 L N 5.986 126.771 121.223 -0.730 0.000 2.265 205 L HA 0.888 5.404 4.340 0.293 0.000 0.289 205 L C -0.827 175.345 176.870 -1.164 0.000 1.033 205 L CA -0.269 54.069 54.840 -0.837 0.000 0.814 205 L CB 0.501 42.171 42.059 -0.649 0.000 1.203 205 L HN 0.674 nan 8.230 nan 0.000 0.423 206 A N 3.001 125.164 122.820 -1.095 0.000 2.594 206 A HA 1.010 5.506 4.320 0.293 0.000 0.291 206 A C -0.159 177.235 177.584 -0.317 0.000 1.105 206 A CA 0.084 51.684 52.037 -0.728 0.000 0.694 206 A CB 1.473 20.030 19.000 -0.738 0.000 1.291 206 A HN 1.343 nan 8.150 nan 0.000 0.410 207 G N -0.923 107.919 108.800 0.070 0.000 2.334 207 G HA2 0.502 4.638 3.960 0.293 0.000 0.249 207 G HA3 0.502 4.638 3.960 0.293 0.000 0.249 207 G C -0.887 174.209 174.900 0.327 0.000 1.327 207 G CA 0.182 45.403 45.100 0.201 0.000 0.979 207 G HN 1.334 nan 8.290 nan 0.000 0.471 208 T N 0.356 115.071 114.554 0.268 0.000 2.841 208 T HA 0.811 5.337 4.350 0.293 0.000 0.285 208 T C 0.492 175.278 174.700 0.142 0.000 0.991 208 T CA 0.616 62.836 62.100 0.200 0.000 0.966 208 T CB 1.307 70.255 68.868 0.134 0.000 0.962 208 T HN 2.052 nan 8.240 nan 0.000 0.438 209 G N 1.414 110.252 108.800 0.062 0.000 2.539 209 G HA2 0.696 4.832 3.960 0.293 0.000 0.138 209 G HA3 0.696 4.832 3.960 0.293 0.000 0.138 209 G C -0.685 173.937 174.900 -0.462 0.000 1.148 209 G CA 0.047 45.060 45.100 -0.145 0.000 1.057 209 G HN 1.021 nan 8.290 nan 0.000 0.511 210 G N -2.072 106.155 108.800 -0.955 0.000 2.608 210 G HA2 0.898 5.034 3.960 0.293 0.000 0.291 210 G HA3 0.898 5.034 3.960 0.293 0.000 0.291 210 G C -0.358 173.541 174.900 -1.669 0.000 1.425 210 G CA 0.658 44.802 45.100 -1.594 0.000 0.787 210 G HN 2.145 nan 8.290 nan 0.000 0.484 211 G N -1.434 106.310 108.800 -1.760 0.000 2.321 211 G HA2 0.558 4.694 3.960 0.293 0.000 0.296 211 G HA3 0.558 4.694 3.960 0.293 0.000 0.296 211 G C -2.026 172.525 174.900 -0.583 0.000 1.287 211 G CA -0.113 44.466 45.100 -0.868 0.000 0.846 211 G HN 1.298 nan 8.290 nan 0.000 0.508 212 I N -0.480 120.007 120.570 -0.138 0.000 2.619 212 I HA 0.683 5.029 4.170 0.293 0.000 0.292 212 I C -1.500 174.646 176.117 0.050 0.000 1.100 212 I CA -1.091 60.249 61.300 0.066 0.000 1.043 212 I CB 1.842 39.980 38.000 0.229 0.000 1.239 212 I HN 0.520 nan 8.210 nan 0.000 0.420 213 Y N 4.657 125.129 120.300 0.287 0.000 2.420 213 Y HA 0.380 5.107 4.550 0.295 0.000 0.334 213 Y C 0.023 175.983 175.900 0.099 0.000 1.094 213 Y CA -0.658 57.545 58.100 0.171 0.000 1.126 213 Y CB 0.993 39.524 38.460 0.119 0.000 1.217 213 Y HN 0.559 nan 8.280 nan 0.000 0.462 214 D N 0.601 121.126 120.400 0.208 0.000 2.760 214 D HA -0.137 4.679 4.640 0.293 0.000 0.244 214 D C -1.106 175.171 176.300 -0.039 0.000 1.123 214 D CA 0.286 54.322 54.000 0.059 0.000 0.719 214 D CB -1.389 39.431 40.800 0.034 0.000 1.045 214 D HN 0.175 nan 8.370 nan 0.000 0.426 215 V N 0.837 120.676 119.914 -0.125 0.000 2.372 215 V HA 0.046 4.342 4.120 0.293 0.000 0.261 215 V C 0.884 176.583 176.094 -0.658 0.000 1.055 215 V CA -0.198 61.829 62.300 -0.455 0.000 0.930 215 V CB 0.887 32.409 31.823 -0.501 0.000 1.031 215 V HN 0.037 nan 8.190 nan 0.000 0.479 216 K N 5.181 125.276 120.400 -0.507 0.000 2.349 216 K HA 0.292 4.788 4.320 0.293 0.000 0.288 216 K C -0.752 175.625 176.600 -0.372 0.000 1.058 216 K CA 0.336 56.424 56.287 -0.332 0.000 0.953 216 K CB 0.386 32.795 32.500 -0.152 0.000 0.997 216 K HN 0.583 nan 8.250 nan 0.000 0.477 217 W N 2.365 123.672 121.300 0.011 0.000 2.578 217 W HA 0.204 5.038 4.660 0.291 0.000 0.346 217 W C 0.898 177.423 176.519 0.010 0.000 1.075 217 W CA -0.914 56.434 57.345 0.005 0.000 1.233 217 W CB 0.794 30.269 29.460 0.025 0.000 1.358 217 W HN 0.801 nan 8.180 nan 0.000 0.574 218 N N 0.906 119.763 118.700 0.261 0.000 2.498 218 N HA -0.388 4.528 4.740 0.293 0.000 0.240 218 N C -0.413 175.158 175.510 0.101 0.000 1.263 218 N CA 1.486 54.623 53.050 0.145 0.000 0.758 218 N CB -1.280 37.276 38.487 0.117 0.000 1.173 218 N HN 0.712 nan 8.380 nan 0.000 0.575 219 D N -2.160 118.294 120.400 0.089 0.000 2.800 219 D HA -0.123 4.693 4.640 0.293 0.000 0.232 219 D C 0.852 177.188 176.300 0.060 0.000 1.137 219 D CA 1.605 55.639 54.000 0.057 0.000 0.718 219 D CB -1.643 39.182 40.800 0.042 0.000 1.084 219 D HN 0.879 nan 8.370 nan 0.000 0.432 220 G N -0.706 108.144 108.800 0.085 0.000 4.636 220 G HA2 0.275 4.411 3.960 0.293 0.000 0.212 220 G HA3 0.275 4.411 3.960 0.293 0.000 0.212 220 G C -0.474 174.497 174.900 0.117 0.000 0.829 220 G CA -0.149 45.000 45.100 0.083 0.000 0.833 220 G HN 0.243 nan 8.290 nan 0.000 0.510 221 L N 2.095 123.415 121.223 0.163 0.000 2.611 221 L HA 0.574 5.090 4.340 0.293 0.000 0.263 221 L C -0.907 176.132 176.870 0.281 0.000 0.969 221 L CA -0.440 54.543 54.840 0.238 0.000 0.894 221 L CB 1.122 43.340 42.059 0.264 0.000 1.229 221 L HN 0.345 nan 8.230 nan 0.000 0.416 222 R N 2.721 123.368 120.500 0.245 0.000 2.668 222 R HA 0.869 5.385 4.340 0.293 0.000 0.279 222 R C -0.625 175.852 176.300 0.295 0.000 0.976 222 R CA -0.801 55.399 56.100 0.167 0.000 0.978 222 R CB 1.952 32.299 30.300 0.079 0.000 1.133 222 R HN 0.499 nan 8.270 nan 0.000 0.484 223 S N 1.087 116.879 115.700 0.154 0.000 2.549 223 S HA 0.458 5.104 4.470 0.293 0.000 0.280 223 S C -1.212 173.281 174.600 -0.179 0.000 1.109 223 S CA -1.042 57.181 58.200 0.039 0.000 0.905 223 S CB 1.705 65.014 63.200 0.182 0.000 1.081 223 S HN 0.550 nan 8.310 nan 0.000 0.477 224 N N 0.921 119.419 118.700 -0.337 0.000 2.321 224 N HA 0.672 5.588 4.740 0.293 0.000 0.299 224 N C -1.650 173.538 175.510 -0.536 0.000 1.048 224 N CA -0.361 52.569 53.050 -0.200 0.000 0.836 224 N CB 1.033 39.595 38.487 0.124 0.000 1.269 224 N HN 0.418 nan 8.380 nan 0.000 0.486 225 F N 0.192 120.182 119.950 0.066 0.000 2.540 225 F HA 0.622 5.327 4.527 0.296 0.000 0.317 225 F C 0.423 176.230 175.800 0.012 0.000 1.104 225 F CA -0.614 57.417 58.000 0.052 0.000 0.913 225 F CB 1.983 41.031 39.000 0.080 0.000 1.170 225 F HN 0.436 nan 8.300 nan 0.000 0.450 226 S N 2.109 117.925 115.700 0.193 0.000 2.567 226 S HA 0.755 5.401 4.470 0.293 0.000 0.270 226 S C -2.184 172.465 174.600 0.081 0.000 1.152 226 S CA -0.850 57.401 58.200 0.085 0.000 0.835 226 S CB 1.839 65.164 63.200 0.209 0.000 1.115 226 S HN 0.703 nan 8.310 nan 0.000 0.459 227 L N 1.837 123.023 121.223 -0.062 0.000 2.325 227 L HA 0.743 5.259 4.340 0.293 0.000 0.281 227 L C -2.077 174.788 176.870 -0.007 0.000 1.004 227 L CA -0.325 54.516 54.840 0.001 0.000 0.823 227 L CB 0.918 42.931 42.059 -0.076 0.000 1.236 227 L HN 0.824 nan 8.230 nan 0.000 0.415 228 Y N 3.005 123.382 120.300 0.127 0.000 2.376 228 Y HA 0.731 5.457 4.550 0.293 0.000 0.340 228 Y C 0.650 176.618 175.900 0.114 0.000 0.965 228 Y CA -0.452 57.724 58.100 0.127 0.000 1.078 228 Y CB 2.442 40.941 38.460 0.065 0.000 1.193 228 Y HN 0.720 nan 8.280 nan 0.000 0.452 229 G N 3.910 112.854 108.800 0.240 0.000 2.415 229 G HA2 0.773 4.909 3.960 0.293 0.000 0.327 229 G HA3 0.773 4.909 3.960 0.293 0.000 0.327 229 G C -0.869 173.952 174.900 -0.132 0.000 1.182 229 G CA -0.748 44.324 45.100 -0.046 0.000 0.924 229 G HN 0.593 nan 8.290 nan 0.000 0.470 230 R N 0.630 120.928 120.500 -0.337 0.000 2.869 230 R HA 0.443 4.959 4.340 0.293 0.000 0.263 230 R C -1.171 174.877 176.300 -0.421 0.000 1.066 230 R CA -1.005 54.915 56.100 -0.300 0.000 0.960 230 R CB 2.021 32.138 30.300 -0.305 0.000 1.221 230 R HN 0.585 nan 8.270 nan 0.000 0.474 231 N N -0.325 118.182 118.700 -0.321 0.000 2.240 231 N HA 0.499 5.415 4.740 0.293 0.000 0.302 231 N C -1.688 173.721 175.510 -0.167 0.000 1.106 231 N CA -0.417 52.476 53.050 -0.263 0.000 0.778 231 N CB 1.390 39.816 38.487 -0.102 0.000 1.431 231 N HN 0.172 nan 8.380 nan 0.000 0.479 232 F N 0.899 120.819 119.950 -0.049 0.000 2.508 232 F HA 0.773 5.475 4.527 0.292 0.000 0.325 232 F C 1.081 176.866 175.800 -0.025 0.000 1.090 232 F CA -0.550 57.429 58.000 -0.035 0.000 0.945 232 F CB 1.389 40.371 39.000 -0.031 0.000 1.156 232 F HN 0.636 nan 8.300 nan 0.000 0.463 233 G N 2.119 111.027 108.800 0.181 0.000 2.681 233 G HA2 -0.174 3.962 3.960 0.293 0.000 0.220 233 G HA3 -0.174 3.962 3.960 0.293 0.000 0.220 233 G C -1.071 173.862 174.900 0.056 0.000 1.353 233 G CA -0.729 44.421 45.100 0.084 0.000 0.872 233 G HN 0.764 nan 8.290 nan 0.000 0.557 234 D N -0.200 120.221 120.400 0.034 0.000 2.352 234 D HA 0.368 5.184 4.640 0.293 0.000 0.245 234 D C 1.600 177.914 176.300 0.023 0.000 1.224 234 D CA -0.335 53.678 54.000 0.022 0.000 0.879 234 D CB 0.770 41.577 40.800 0.013 0.000 1.057 234 D HN 0.541 nan 8.370 nan 0.000 0.491 235 I N 3.450 124.032 120.570 0.020 0.000 2.530 235 I HA -0.220 4.126 4.170 0.293 0.000 0.257 235 I C 1.258 177.383 176.117 0.015 0.000 1.179 235 I CA 1.432 62.741 61.300 0.016 0.000 1.440 235 I CB 0.120 38.128 38.000 0.013 0.000 1.087 235 I HN 0.416 nan 8.210 nan 0.000 0.440 236 D N -0.326 120.082 120.400 0.014 0.000 2.240 236 D HA -0.069 4.747 4.640 0.293 0.000 0.206 236 D C 0.612 176.919 176.300 0.012 0.000 0.963 236 D CA 0.563 54.570 54.000 0.012 0.000 0.863 236 D CB -0.133 40.673 40.800 0.010 0.000 0.973 236 D HN 0.328 nan 8.370 nan 0.000 0.501 237 D N 0.771 121.179 120.400 0.013 0.000 2.393 237 D HA 0.024 4.840 4.640 0.293 0.000 0.232 237 D C 1.339 177.649 176.300 0.016 0.000 1.192 237 D CA -0.079 53.929 54.000 0.013 0.000 0.882 237 D CB 0.993 41.800 40.800 0.011 0.000 1.038 237 D HN -0.101 nan 8.370 nan 0.000 0.499 238 S N 1.900 117.609 115.700 0.015 0.000 2.400 238 S HA -0.234 4.412 4.470 0.293 0.000 0.232 238 S C 1.795 176.407 174.600 0.020 0.000 1.025 238 S CA 1.365 59.576 58.200 0.018 0.000 0.993 238 S CB -0.325 62.884 63.200 0.016 0.000 0.808 238 S HN 0.425 nan 8.310 nan 0.000 0.478 239 S N 1.000 116.711 115.700 0.018 0.000 2.527 239 S HA 0.150 4.796 4.470 0.293 0.000 0.222 239 S C 1.040 175.653 174.600 0.022 0.000 0.985 239 S CA 0.498 58.710 58.200 0.019 0.000 0.921 239 S CB -0.494 62.715 63.200 0.015 0.000 0.772 239 S HN 0.533 nan 8.310 nan 0.000 0.529 240 N N 1.039 119.753 118.700 0.023 0.000 2.480 240 N HA 0.292 5.208 4.740 0.293 0.000 0.281 240 N C -1.215 174.318 175.510 0.039 0.000 1.381 240 N CA -0.184 52.882 53.050 0.026 0.000 0.903 240 N CB 0.937 39.434 38.487 0.017 0.000 1.274 240 N HN 0.237 nan 8.380 nan 0.000 0.505 241 S N -0.320 115.405 115.700 0.043 0.000 2.557 241 S HA 0.732 5.378 4.470 0.293 0.000 0.291 241 S C -1.427 173.206 174.600 0.054 0.000 1.116 241 S CA -0.398 57.831 58.200 0.048 0.000 0.992 241 S CB 0.952 64.170 63.200 0.030 0.000 1.028 241 S HN -0.074 nan 8.310 nan 0.000 0.484 242 V N 4.641 124.596 119.914 0.069 0.000 2.971 242 V HA 0.488 4.784 4.120 0.293 0.000 0.309 242 V C -0.893 175.161 176.094 -0.068 0.000 1.130 242 V CA -0.753 61.578 62.300 0.051 0.000 0.964 242 V CB 2.362 34.270 31.823 0.140 0.000 1.029 242 V HN 0.895 nan 8.190 nan 0.000 0.427 243 Q N 2.946 122.670 119.800 -0.127 0.000 2.257 243 Q HA 0.408 4.924 4.340 0.293 0.000 0.255 243 Q C -0.452 175.282 176.000 -0.443 0.000 0.920 243 Q CA -0.202 55.397 55.803 -0.341 0.000 0.927 243 Q CB 1.677 30.221 28.738 -0.324 0.000 1.229 243 Q HN 0.693 nan 8.270 nan 0.000 0.433 244 N N 2.537 120.826 118.700 -0.685 0.000 2.417 244 N HA 0.251 5.167 4.740 0.293 0.000 0.274 244 N C -1.635 173.557 175.510 -0.529 0.000 0.987 244 N CA -0.244 52.464 53.050 -0.570 0.000 0.912 244 N CB 0.746 38.682 38.487 -0.918 0.000 1.177 244 N HN 0.408 nan 8.380 nan 0.000 0.490 245 Y N 2.916 123.165 120.300 -0.085 0.000 2.387 245 Y HA 0.498 5.224 4.550 0.293 0.000 0.336 245 Y C -0.012 175.883 175.900 -0.007 0.000 1.067 245 Y CA -0.548 57.531 58.100 -0.035 0.000 1.114 245 Y CB 1.368 39.816 38.460 -0.019 0.000 1.208 245 Y HN 0.360 nan 8.280 nan 0.000 0.458 246 I N 4.069 124.761 120.570 0.204 0.000 2.436 246 I HA 0.364 4.710 4.170 0.293 0.000 0.289 246 I C -1.025 175.189 176.117 0.161 0.000 1.010 246 I CA -0.422 60.960 61.300 0.137 0.000 1.098 246 I CB 1.646 39.690 38.000 0.074 0.000 1.266 246 I HN 0.369 nan 8.210 nan 0.000 0.434 247 L N 5.265 126.561 121.223 0.122 0.000 2.296 247 L HA 0.683 5.199 4.340 0.293 0.000 0.286 247 L C -0.241 176.702 176.870 0.120 0.000 1.023 247 L CA -0.190 54.720 54.840 0.118 0.000 0.812 247 L CB 1.858 43.972 42.059 0.092 0.000 1.223 247 L HN 0.696 nan 8.230 nan 0.000 0.421 248 T N 4.773 119.412 114.554 0.142 0.000 2.952 248 T HA 0.650 5.176 4.350 0.293 0.000 0.305 248 T C -0.777 173.982 174.700 0.098 0.000 1.064 248 T CA -0.766 61.401 62.100 0.111 0.000 1.008 248 T CB 1.341 70.263 68.868 0.089 0.000 1.078 248 T HN 0.550 nan 8.240 nan 0.000 0.459 249 M N 3.562 123.171 119.600 0.015 0.000 2.253 249 M HA 0.578 5.234 4.480 0.293 0.000 0.314 249 M C -1.061 174.984 176.300 -0.424 0.000 1.019 249 M CA -0.691 54.489 55.300 -0.200 0.000 0.932 249 M CB 1.699 34.310 32.600 0.019 0.000 1.606 249 M HN 0.597 nan 8.290 nan 0.000 0.430 250 N N 2.045 120.390 118.700 -0.591 0.000 2.399 250 N HA 0.473 5.389 4.740 0.293 0.000 0.284 250 N C -1.836 173.299 175.510 -0.625 0.000 1.025 250 N CA -0.575 52.188 53.050 -0.479 0.000 0.885 250 N CB 1.359 39.747 38.487 -0.165 0.000 1.339 250 N HN 0.840 nan 8.380 nan 0.000 0.487 251 H N 2.137 121.018 119.070 -0.314 0.000 2.489 251 H HA 0.395 5.126 4.556 0.292 0.000 0.343 251 H C -1.166 173.951 175.328 -0.352 0.000 1.086 251 H CA -0.457 55.484 56.048 -0.179 0.000 1.198 251 H CB 1.174 30.910 29.762 -0.043 0.000 1.490 251 H HN 0.333 nan 8.280 nan 0.000 0.504 252 F N 1.325 121.366 119.950 0.153 0.000 2.493 252 F HA 0.596 5.296 4.527 0.288 0.000 0.329 252 F C -0.163 175.689 175.800 0.086 0.000 1.126 252 F CA -0.835 57.214 58.000 0.081 0.000 0.937 252 F CB 1.823 40.826 39.000 0.005 0.000 1.146 252 F HN 0.606 nan 8.300 nan 0.000 0.442 253 A N 3.224 126.181 122.820 0.227 0.000 2.763 253 A HA 0.681 5.177 4.320 0.293 0.000 0.325 253 A C 0.506 178.166 177.584 0.126 0.000 1.209 253 A CA -0.053 52.076 52.037 0.153 0.000 0.764 253 A CB -0.123 18.941 19.000 0.107 0.000 1.120 253 A HN 1.373 nan 8.150 nan 0.000 0.463 254 G N 3.192 112.060 108.800 0.113 0.000 2.561 254 G HA2 -0.265 3.871 3.960 0.293 0.000 0.289 254 G HA3 -0.265 3.871 3.960 0.293 0.000 0.289 254 G C -0.681 174.279 174.900 0.099 0.000 1.169 254 G CA 0.319 45.467 45.100 0.081 0.000 0.980 254 G HN 0.783 nan 8.290 nan 0.000 0.550 255 P HA 0.277 nan 4.420 nan 0.000 0.241 255 P C 0.585 177.990 177.300 0.175 0.000 1.191 255 P CA 0.483 63.656 63.100 0.120 0.000 0.771 255 P CB 0.198 31.942 31.700 0.075 0.000 0.929 256 L N 0.512 121.825 121.223 0.150 0.000 2.325 256 L HA 0.423 4.939 4.340 0.293 0.000 0.279 256 L C -0.120 176.838 176.870 0.147 0.000 1.054 256 L CA -0.369 54.553 54.840 0.136 0.000 0.804 256 L CB 1.395 43.505 42.059 0.085 0.000 1.200 256 L HN -0.143 nan 8.230 nan 0.000 0.436 257 Q N 5.240 125.103 119.800 0.104 0.000 2.323 257 Q HA 0.525 5.041 4.340 0.293 0.000 0.271 257 Q C -1.690 174.273 176.000 -0.062 0.000 1.048 257 Q CA -0.651 55.108 55.803 -0.074 0.000 0.792 257 Q CB 1.932 30.653 28.738 -0.028 0.000 1.280 257 Q HN 0.757 nan 8.270 nan 0.000 0.441 258 M N 5.662 125.187 119.600 -0.126 0.000 2.142 258 M HA 0.438 5.094 4.480 0.293 0.000 0.299 258 M C -1.994 174.268 176.300 -0.062 0.000 0.960 258 M CA -0.460 54.827 55.300 -0.021 0.000 0.920 258 M CB 1.688 34.324 32.600 0.059 0.000 1.541 258 M HN 0.843 nan 8.290 nan 0.000 0.429 259 M N 5.766 125.349 119.600 -0.029 0.000 2.311 259 M HA 0.677 5.333 4.480 0.293 0.000 0.325 259 M C -2.057 174.274 176.300 0.051 0.000 1.061 259 M CA -0.631 54.653 55.300 -0.026 0.000 0.957 259 M CB 1.684 34.292 32.600 0.012 0.000 1.646 259 M HN 0.557 nan 8.290 nan 0.000 0.434 260 V N 3.420 123.362 119.914 0.046 0.000 2.623 260 V HA 0.577 4.873 4.120 0.293 0.000 0.304 260 V C -0.882 175.268 176.094 0.092 0.000 1.054 260 V CA -0.581 61.773 62.300 0.091 0.000 0.882 260 V CB 2.143 34.026 31.823 0.099 0.000 1.002 260 V HN 0.945 nan 8.190 nan 0.000 0.424 261 S N 2.340 118.111 115.700 0.118 0.000 2.536 261 S HA 0.815 5.461 4.470 0.293 0.000 0.287 261 S C 0.083 174.739 174.600 0.093 0.000 1.101 261 S CA -0.623 57.631 58.200 0.090 0.000 0.950 261 S CB 2.087 65.307 63.200 0.033 0.000 1.056 261 S HN 1.089 nan 8.310 nan 0.000 0.481 262 G N 2.128 110.979 108.800 0.084 0.000 2.417 262 G HA2 0.661 4.797 3.960 0.293 0.000 0.320 262 G HA3 0.661 4.797 3.960 0.293 0.000 0.320 262 G C -0.804 174.142 174.900 0.077 0.000 1.204 262 G CA -0.717 44.431 45.100 0.081 0.000 0.923 262 G HN 0.612 nan 8.290 nan 0.000 0.466 263 L N 1.100 122.367 121.223 0.074 0.000 2.342 263 L HA 0.841 5.357 4.340 0.293 0.000 0.271 263 L C -0.070 176.853 176.870 0.088 0.000 1.008 263 L CA -1.270 53.614 54.840 0.074 0.000 0.818 263 L CB 2.378 44.471 42.059 0.057 0.000 1.296 263 L HN 0.515 nan 8.230 nan 0.000 0.427 264 R N 1.754 122.313 120.500 0.098 0.000 2.523 264 R HA 0.687 5.203 4.340 0.293 0.000 0.278 264 R C -1.918 174.446 176.300 0.107 0.000 1.150 264 R CA -0.341 55.824 56.100 0.108 0.000 0.987 264 R CB 2.131 32.495 30.300 0.107 0.000 1.232 264 R HN 0.911 nan 8.270 nan 0.000 0.424 265 A N 5.075 127.967 122.820 0.120 0.000 2.483 265 A HA 0.284 4.780 4.320 0.293 0.000 0.308 265 A C -0.627 177.031 177.584 0.123 0.000 1.291 265 A CA -0.699 51.406 52.037 0.112 0.000 0.774 265 A CB 0.807 19.947 19.000 0.233 0.000 1.134 265 A HN 0.724 nan 8.150 nan 0.000 0.471 266 K N 2.514 122.976 120.400 0.103 0.000 2.447 266 K HA 0.107 4.603 4.320 0.293 0.000 0.281 266 K C -0.613 176.035 176.600 0.080 0.000 1.031 266 K CA 0.391 56.730 56.287 0.086 0.000 1.019 266 K CB 0.116 32.663 32.500 0.079 0.000 0.918 266 K HN 0.685 nan 8.250 nan 0.000 0.476 267 D N 2.231 122.672 120.400 0.069 0.000 2.723 267 D HA -0.210 4.606 4.640 0.293 0.000 0.236 267 D C 0.399 176.740 176.300 0.068 0.000 1.138 267 D CA 0.904 54.939 54.000 0.059 0.000 0.676 267 D CB -1.181 39.648 40.800 0.049 0.000 1.069 267 D HN 0.754 nan 8.370 nan 0.000 0.430 268 N N 1.328 120.079 118.700 0.085 0.000 2.188 268 N HA -0.156 4.760 4.740 0.293 0.000 0.184 268 N C 1.174 176.706 175.510 0.037 0.000 1.018 268 N CA 1.947 55.052 53.050 0.092 0.000 0.858 268 N CB 0.093 38.649 38.487 0.114 0.000 0.989 268 N HN 0.351 nan 8.380 nan 0.000 0.426 269 D N -0.355 120.062 120.400 0.028 0.000 2.350 269 D HA -0.113 4.703 4.640 0.293 0.000 0.216 269 D C 0.469 176.780 176.300 0.017 0.000 0.968 269 D CA 0.870 54.879 54.000 0.015 0.000 0.894 269 D CB -0.503 40.306 40.800 0.015 0.000 0.909 269 D HN 0.464 nan 8.370 nan 0.000 0.520 270 E N -0.459 119.756 120.200 0.025 0.000 2.499 270 E HA 0.161 4.687 4.350 0.293 0.000 0.199 270 E C -0.048 176.566 176.600 0.023 0.000 1.016 270 E CA -0.435 55.979 56.400 0.023 0.000 0.933 270 E CB 0.424 30.139 29.700 0.026 0.000 1.050 270 E HN 0.127 nan 8.360 nan 0.000 0.462 271 R N 1.930 122.445 120.500 0.024 0.000 2.351 271 R HA 0.137 4.653 4.340 0.293 0.000 0.318 271 R C -0.253 176.055 176.300 0.014 0.000 1.055 271 R CA 0.328 56.442 56.100 0.024 0.000 0.968 271 R CB 0.477 30.794 30.300 0.027 0.000 0.974 271 R HN -0.085 nan 8.270 nan 0.000 0.439 272 K N 2.911 123.319 120.400 0.014 0.000 2.211 272 K HA 0.070 4.566 4.320 0.293 0.000 0.275 272 K C -0.150 176.453 176.600 0.006 0.000 1.024 272 K CA -0.735 55.557 56.287 0.008 0.000 0.887 272 K CB 1.025 33.531 32.500 0.009 0.000 1.084 272 K HN 0.539 nan 8.250 nan 0.000 0.463 273 D N 0.865 121.265 120.400 0.001 0.000 2.346 273 D HA -0.093 4.723 4.640 0.293 0.000 0.249 273 D C 0.996 177.295 176.300 -0.001 0.000 1.308 273 D CA -0.295 53.704 54.000 -0.003 0.000 0.987 273 D CB 0.303 41.097 40.800 -0.010 0.000 1.114 273 D HN 0.378 nan 8.370 nan 0.000 0.529 274 S N -0.831 114.867 115.700 -0.003 0.000 2.402 274 S HA -0.281 4.365 4.470 0.293 0.000 0.233 274 S C 1.473 176.072 174.600 -0.002 0.000 1.030 274 S CA 1.135 59.334 58.200 -0.002 0.000 1.003 274 S CB -0.786 62.411 63.200 -0.004 0.000 0.813 274 S HN 0.533 nan 8.310 nan 0.000 0.477 275 N N 1.409 120.106 118.700 -0.005 0.000 2.142 275 N HA 0.046 4.962 4.740 0.293 0.000 0.186 275 N C 1.404 176.913 175.510 -0.002 0.000 1.023 275 N CA 1.245 54.293 53.050 -0.004 0.000 0.852 275 N CB -0.142 38.341 38.487 -0.007 0.000 0.998 275 N HN 0.697 nan 8.380 nan 0.000 0.424 276 G N 0.004 108.803 108.800 -0.001 0.000 2.318 276 G HA2 -0.142 3.994 3.960 0.293 0.000 0.172 276 G HA3 -0.142 3.994 3.960 0.293 0.000 0.172 276 G C -0.254 174.647 174.900 0.002 0.000 1.002 276 G CA -0.586 44.515 45.100 0.001 0.000 0.697 276 G HN 0.165 nan 8.290 nan 0.000 0.483 277 N N 0.543 119.243 118.700 -0.000 0.000 2.493 277 N HA 0.495 5.411 4.740 0.293 0.000 0.275 277 N C 0.429 175.940 175.510 0.001 0.000 1.186 277 N CA -0.376 52.674 53.050 -0.000 0.000 0.978 277 N CB 1.178 39.664 38.487 -0.003 0.000 1.184 277 N HN 0.178 nan 8.380 nan 0.000 0.487 278 L N 1.504 122.729 121.223 0.003 0.000 2.499 278 L HA 0.022 4.538 4.340 0.293 0.000 0.273 278 L C 1.701 178.571 176.870 0.001 0.000 1.195 278 L CA -0.294 54.549 54.840 0.004 0.000 0.882 278 L CB 0.445 42.509 42.059 0.007 0.000 1.133 278 L HN 0.660 nan 8.230 nan 0.000 0.483 279 A N 3.716 126.535 122.820 -0.001 0.000 1.933 279 A HA -0.104 4.392 4.320 0.293 0.000 0.218 279 A C 2.077 179.659 177.584 -0.004 0.000 1.175 279 A CA 1.437 53.469 52.037 -0.008 0.000 0.628 279 A CB -0.009 18.985 19.000 -0.011 0.000 0.814 279 A HN 0.798 nan 8.150 nan 0.000 0.444 280 K N -4.629 115.771 120.400 0.001 0.000 2.755 280 K HA 0.329 4.825 4.320 0.293 0.000 0.214 280 K C 1.386 177.995 176.600 0.015 0.000 1.572 280 K CA 1.095 57.389 56.287 0.012 0.000 1.020 280 K CB 0.326 32.827 32.500 0.002 0.000 1.905 280 K HN 0.659 nan 8.250 nan 0.000 0.467 281 G N 1.991 110.796 108.800 0.009 0.000 2.490 281 G HA2 -0.251 3.885 3.960 0.293 0.000 0.214 281 G HA3 -0.251 3.885 3.960 0.293 0.000 0.214 281 G C 0.199 175.106 174.900 0.011 0.000 1.151 281 G CA 0.728 45.835 45.100 0.012 0.000 0.684 281 G HN 0.459 nan 8.290 nan 0.000 0.518 282 D N 1.719 122.126 120.400 0.011 0.000 2.463 282 D HA 0.631 5.447 4.640 0.293 0.000 0.224 282 D C 0.958 177.254 176.300 -0.007 0.000 1.174 282 D CA 0.781 54.785 54.000 0.006 0.000 0.829 282 D CB -0.117 40.689 40.800 0.010 0.000 0.993 282 D HN 0.992 nan 8.370 nan 0.000 0.497 283 A N 0.375 123.187 122.820 -0.013 0.000 2.386 283 A HA 0.608 5.104 4.320 0.293 0.000 0.248 283 A C 0.583 178.148 177.584 -0.032 0.000 1.082 283 A CA -0.138 51.876 52.037 -0.037 0.000 0.789 283 A CB 0.443 19.408 19.000 -0.057 0.000 1.025 283 A HN 0.401 nan 8.150 nan 0.000 0.490 284 A N 1.064 123.854 122.820 -0.050 0.000 2.371 284 A HA 0.465 4.961 4.320 0.293 0.000 0.257 284 A C 0.621 178.215 177.584 0.017 0.000 1.089 284 A CA -0.528 51.495 52.037 -0.024 0.000 0.794 284 A CB 0.102 19.072 19.000 -0.049 0.000 1.029 284 A HN 0.811 nan 8.150 nan 0.000 0.488 285 N N -0.447 118.279 118.700 0.043 0.000 2.294 285 N HA 0.069 4.985 4.740 0.293 0.000 0.186 285 N C 0.367 175.933 175.510 0.093 0.000 1.107 285 N CA 1.232 54.328 53.050 0.077 0.000 0.884 285 N CB 0.527 39.053 38.487 0.064 0.000 1.030 285 N HN 0.869 nan 8.380 nan 0.000 0.482 286 T N -2.821 111.778 114.554 0.075 0.000 2.838 286 T HA 0.838 5.364 4.350 0.293 0.000 0.292 286 T C -0.036 174.705 174.700 0.069 0.000 1.113 286 T CA -0.812 61.335 62.100 0.080 0.000 1.008 286 T CB 2.480 71.393 68.868 0.074 0.000 1.259 286 T HN 0.055 nan 8.240 nan 0.000 0.520 287 G N -0.854 107.990 108.800 0.072 0.000 2.623 287 G HA2 0.597 4.733 3.960 0.293 0.000 0.290 287 G HA3 0.597 4.733 3.960 0.293 0.000 0.290 287 G C -2.116 172.827 174.900 0.071 0.000 1.437 287 G CA -0.614 44.522 45.100 0.060 0.000 0.798 287 G HN 0.939 nan 8.290 nan 0.000 0.488 288 V N 0.822 120.773 119.914 0.062 0.000 2.841 288 V HA 0.683 4.979 4.120 0.293 0.000 0.310 288 V C -1.200 174.917 176.094 0.038 0.000 1.090 288 V CA -0.716 61.627 62.300 0.071 0.000 0.930 288 V CB 2.110 33.987 31.823 0.091 0.000 1.014 288 V HN 0.979 nan 8.190 nan 0.000 0.425 289 H N 2.890 121.931 119.070 -0.048 0.000 2.894 289 H HA 0.846 5.577 4.556 0.292 0.000 0.367 289 H C -1.113 174.198 175.328 -0.029 0.000 1.144 289 H CA -0.021 55.971 56.048 -0.093 0.000 1.180 289 H CB 2.296 32.005 29.762 -0.088 0.000 1.758 289 H HN 0.859 nan 8.280 nan 0.000 0.541 290 A N 5.146 127.788 122.820 -0.297 0.000 2.486 290 A HA 0.523 5.019 4.320 0.293 0.000 0.300 290 A C -1.941 175.538 177.584 -0.175 0.000 1.048 290 A CA -0.722 51.262 52.037 -0.088 0.000 0.696 290 A CB 1.935 20.932 19.000 -0.005 0.000 1.278 290 A HN 0.446 nan 8.150 nan 0.000 0.405 291 L N 2.861 124.084 121.223 0.001 0.000 2.410 291 L HA 0.663 5.179 4.340 0.293 0.000 0.270 291 L C -1.912 174.997 176.870 0.066 0.000 0.983 291 L CA -0.490 54.375 54.840 0.042 0.000 0.822 291 L CB 1.332 43.469 42.059 0.131 0.000 1.285 291 L HN 0.795 nan 8.230 nan 0.000 0.409 292 L N 4.723 125.995 121.223 0.081 0.000 2.316 292 L HA 0.720 5.236 4.340 0.293 0.000 0.280 292 L C 0.015 176.947 176.870 0.102 0.000 1.006 292 L CA -0.344 54.546 54.840 0.083 0.000 0.836 292 L CB 1.669 43.778 42.059 0.085 0.000 1.221 292 L HN 0.852 nan 8.230 nan 0.000 0.418 293 G N 4.455 113.318 108.800 0.105 0.000 2.519 293 G HA2 0.676 4.812 3.960 0.293 0.000 0.307 293 G HA3 0.676 4.812 3.960 0.293 0.000 0.307 293 G C -1.700 173.207 174.900 0.011 0.000 1.266 293 G CA -0.481 44.664 45.100 0.076 0.000 0.970 293 G HN 0.438 nan 8.290 nan 0.000 0.481 294 L N 1.492 122.634 121.223 -0.136 0.000 2.372 294 L HA 0.361 4.877 4.340 0.293 0.000 0.273 294 L C -1.004 175.695 176.870 -0.285 0.000 0.989 294 L CA -0.846 53.933 54.840 -0.101 0.000 0.841 294 L CB 1.628 43.659 42.059 -0.046 0.000 1.225 294 L HN 0.605 nan 8.230 nan 0.000 0.414 295 H N 2.727 121.755 119.070 -0.070 0.000 2.685 295 H HA 0.363 5.092 4.556 0.288 0.000 0.286 295 H C -0.429 174.844 175.328 -0.092 0.000 1.102 295 H CA -0.556 55.419 56.048 -0.122 0.000 1.254 295 H CB 0.451 30.133 29.762 -0.133 0.000 1.397 295 H HN 0.403 nan 8.280 nan 0.000 0.473 296 N N 1.632 120.294 118.700 -0.064 0.000 2.492 296 N HA 0.058 4.974 4.740 0.293 0.000 0.289 296 N C 0.014 175.509 175.510 -0.026 0.000 1.133 296 N CA -0.408 52.610 53.050 -0.053 0.000 0.961 296 N CB 1.572 39.990 38.487 -0.114 0.000 1.186 296 N HN 0.604 nan 8.380 nan 0.000 0.493 297 D N -0.687 119.716 120.400 0.005 0.000 2.427 297 D HA 0.130 4.946 4.640 0.293 0.000 0.224 297 D C -0.416 175.914 176.300 0.051 0.000 1.157 297 D CA 0.126 54.145 54.000 0.032 0.000 0.828 297 D CB 0.205 41.026 40.800 0.034 0.000 0.974 297 D HN 0.485 nan 8.370 nan 0.000 0.498 298 S N -1.304 114.420 115.700 0.039 0.000 2.596 298 S HA 0.346 4.992 4.470 0.293 0.000 0.270 298 S C -0.694 173.956 174.600 0.084 0.000 1.155 298 S CA -0.995 57.258 58.200 0.089 0.000 0.827 298 S CB 0.691 63.943 63.200 0.086 0.000 1.130 298 S HN -0.020 nan 8.310 nan 0.000 0.467 299 F N 3.012 122.974 119.950 0.019 0.000 2.556 299 F HA 0.340 4.884 4.527 0.027 0.000 0.344 299 F C -0.148 175.730 175.800 0.131 0.000 1.255 299 F CA -0.426 57.591 58.000 0.028 0.000 1.091 299 F CB -1.363 37.713 39.000 0.127 0.000 1.325 299 F HN 0.686 nan 8.300 nan 0.000 0.627 300 Y N 2.598 122.731 120.300 -0.278 0.000 3.721 300 Y HA -0.264 4.495 4.550 0.349 0.000 0.218 300 Y C 1.578 177.423 175.900 -0.093 0.000 1.188 300 Y CA 0.775 58.722 58.100 -0.256 0.000 1.607 300 Y CB -1.572 36.623 38.460 -0.441 0.000 1.496 300 Y HN 0.917 nan 8.280 nan 0.000 0.626 301 G N -0.846 107.999 108.800 0.075 0.000 2.168 301 G HA2 -0.255 3.881 3.960 0.293 0.000 0.257 301 G HA3 -0.255 3.881 3.960 0.293 0.000 0.257 301 G C 0.269 175.234 174.900 0.109 0.000 0.997 301 G CA 0.633 45.783 45.100 0.083 0.000 0.708 301 G HN 0.664 nan 8.290 nan 0.000 0.520 302 L N -1.661 119.661 121.223 0.166 0.000 3.086 302 L HA 0.623 5.139 4.340 0.293 0.000 0.274 302 L C 0.560 177.544 176.870 0.189 0.000 1.184 302 L CA 0.356 55.295 54.840 0.164 0.000 1.002 302 L CB 0.297 42.456 42.059 0.167 0.000 1.383 302 L HN 0.418 nan 8.230 nan 0.000 0.582 303 R N -0.813 119.825 120.500 0.230 0.000 2.728 303 R HA 0.316 4.832 4.340 0.293 0.000 0.274 303 R C -1.542 174.871 176.300 0.188 0.000 1.032 303 R CA -0.674 55.541 56.100 0.193 0.000 0.866 303 R CB 1.148 31.574 30.300 0.209 0.000 1.263 303 R HN -0.119 nan 8.270 nan 0.000 0.475 304 D N 0.303 120.778 120.400 0.125 0.000 2.423 304 D HA 0.452 5.268 4.640 0.293 0.000 0.238 304 D C 0.681 177.072 176.300 0.151 0.000 1.142 304 D CA 1.876 55.946 54.000 0.117 0.000 0.884 304 D CB 1.411 42.260 40.800 0.082 0.000 1.199 304 D HN 0.788 nan 8.370 nan 0.000 0.438 305 G N -0.173 108.723 108.800 0.160 0.000 2.295 305 G HA2 0.348 4.483 3.960 0.293 0.000 0.155 305 G HA3 0.348 4.483 3.960 0.293 0.000 0.155 305 G C -1.134 173.880 174.900 0.190 0.000 1.307 305 G CA 0.105 45.326 45.100 0.201 0.000 1.140 305 G HN 1.094 nan 8.290 nan 0.000 0.470 306 S N -1.482 114.345 115.700 0.212 0.000 2.615 306 S HA 0.946 5.592 4.470 0.293 0.000 0.268 306 S C -0.665 173.905 174.600 -0.050 0.000 1.146 306 S CA 0.683 58.942 58.200 0.098 0.000 0.818 306 S CB 1.387 64.684 63.200 0.161 0.000 1.111 306 S HN 2.637 nan 8.310 nan 0.000 0.465 307 S N -0.102 115.430 115.700 -0.281 0.000 2.578 307 S HA 0.757 5.403 4.470 0.293 0.000 0.272 307 S C -2.024 172.205 174.600 -0.619 0.000 1.145 307 S CA -1.131 56.663 58.200 -0.677 0.000 0.835 307 S CB 1.345 63.785 63.200 -1.267 0.000 1.104 307 S HN 0.936 nan 8.310 nan 0.000 0.458 308 K N 0.546 120.484 120.400 -0.770 0.000 2.498 308 K HA 0.761 5.257 4.320 0.293 0.000 0.254 308 K C -1.557 174.892 176.600 -0.252 0.000 0.933 308 K CA -0.716 55.276 56.287 -0.492 0.000 0.806 308 K CB 2.522 34.787 32.500 -0.391 0.000 1.301 308 K HN 0.716 nan 8.250 nan 0.000 0.432 309 T N 0.945 115.420 114.554 -0.132 0.000 2.921 309 T HA 0.670 5.196 4.350 0.293 0.000 0.297 309 T C -1.483 173.252 174.700 0.057 0.000 1.013 309 T CA -0.738 61.381 62.100 0.032 0.000 0.990 309 T CB 1.706 70.613 68.868 0.065 0.000 1.023 309 T HN 0.660 nan 8.240 nan 0.000 0.447 310 A N 2.607 125.508 122.820 0.134 0.000 2.449 310 A HA 0.847 5.343 4.320 0.293 0.000 0.302 310 A C -1.586 176.078 177.584 0.134 0.000 1.048 310 A CA -0.690 51.439 52.037 0.153 0.000 0.708 310 A CB 1.382 20.520 19.000 0.230 0.000 1.274 310 A HN 0.703 nan 8.150 nan 0.000 0.410 311 L N 2.756 124.058 121.223 0.131 0.000 2.319 311 L HA 0.739 5.255 4.340 0.293 0.000 0.281 311 L C -1.546 175.399 176.870 0.125 0.000 1.005 311 L CA -0.288 54.649 54.840 0.162 0.000 0.828 311 L CB 0.878 43.052 42.059 0.191 0.000 1.227 311 L HN 0.566 nan 8.230 nan 0.000 0.415 312 L N 6.021 127.299 121.223 0.093 0.000 2.317 312 L HA 0.556 5.072 4.340 0.293 0.000 0.281 312 L C -1.080 175.676 176.870 -0.190 0.000 1.024 312 L CA -0.426 54.373 54.840 -0.068 0.000 0.810 312 L CB 1.568 43.581 42.059 -0.077 0.000 1.240 312 L HN 0.563 nan 8.230 nan 0.000 0.427 313 Y N 1.298 121.247 120.300 -0.585 0.000 2.492 313 Y HA 0.832 5.557 4.550 0.292 0.000 0.346 313 Y C -0.299 175.202 175.900 -0.664 0.000 0.997 313 Y CA -0.881 56.701 58.100 -0.864 0.000 1.025 313 Y CB 2.326 40.043 38.460 -1.239 0.000 1.263 313 Y HN 0.578 nan 8.280 nan 0.000 0.454 314 G N 4.267 112.123 108.800 -1.573 0.000 2.706 314 G HA2 0.424 4.560 3.960 0.293 0.000 0.297 314 G HA3 0.424 4.560 3.960 0.293 0.000 0.297 314 G C -2.534 171.799 174.900 -0.946 0.000 1.403 314 G CA -0.651 43.825 45.100 -1.041 0.000 0.954 314 G HN 0.796 nan 8.290 nan 0.000 0.500 315 H N 0.119 118.828 119.070 -0.601 0.000 2.806 315 H HA 0.559 5.290 4.556 0.293 0.000 0.367 315 H C 0.818 176.050 175.328 -0.161 0.000 1.136 315 H CA 0.742 56.593 56.048 -0.327 0.000 1.178 315 H CB 1.944 31.602 29.762 -0.172 0.000 1.718 315 H HN 1.506 nan 8.280 nan 0.000 0.540 316 G N 3.136 111.570 108.800 -0.610 0.000 2.561 316 G HA2 -0.342 3.794 3.960 0.293 0.000 0.289 316 G HA3 -0.342 3.794 3.960 0.293 0.000 0.289 316 G C 1.129 175.916 174.900 -0.187 0.000 1.169 316 G CA 0.450 45.367 45.100 -0.304 0.000 0.980 316 G HN 0.577 nan 8.290 nan 0.000 0.550 317 L N 1.972 123.152 121.223 -0.072 0.000 2.265 317 L HA 0.091 4.606 4.340 0.293 0.000 0.215 317 L C 3.023 179.883 176.870 -0.018 0.000 1.117 317 L CA 1.440 56.271 54.840 -0.015 0.000 0.782 317 L CB -0.649 41.463 42.059 0.088 0.000 0.914 317 L HN 0.702 nan 8.230 nan 0.000 0.441 318 G N -0.958 107.817 108.800 -0.042 0.000 2.744 318 G HA2 -0.010 4.126 3.960 0.293 0.000 0.211 318 G HA3 -0.010 4.126 3.960 0.293 0.000 0.211 318 G C 1.661 176.501 174.900 -0.100 0.000 1.143 318 G CA 0.536 45.623 45.100 -0.020 0.000 0.788 318 G HN 0.416 nan 8.290 nan 0.000 0.534 319 A N 0.426 123.133 122.820 -0.189 0.000 2.125 319 A HA 0.045 4.541 4.320 0.293 0.000 0.219 319 A C 1.412 178.892 177.584 -0.174 0.000 1.156 319 A CA 1.201 53.087 52.037 -0.252 0.000 0.671 319 A CB -0.070 18.749 19.000 -0.301 0.000 0.794 319 A HN 0.327 nan 8.150 nan 0.000 0.459 320 E N 0.464 120.606 120.200 -0.096 0.000 1.963 320 E HA 0.306 4.832 4.350 0.293 0.000 0.274 320 E C 0.737 177.344 176.600 0.011 0.000 1.061 320 E CA 0.108 56.479 56.400 -0.048 0.000 0.847 320 E CB 0.541 30.226 29.700 -0.024 0.000 1.083 320 E HN 0.291 nan 8.360 nan 0.000 0.402 321 V N 2.264 122.190 119.914 0.021 0.000 3.380 321 V HA 0.047 4.343 4.120 0.293 0.000 0.268 321 V C 1.652 177.849 176.094 0.172 0.000 1.168 321 V CA 1.504 63.886 62.300 0.135 0.000 1.156 321 V CB -0.418 31.386 31.823 -0.031 0.000 0.785 321 V HN 0.499 nan 8.190 nan 0.000 0.487 322 K N 1.511 121.947 120.400 0.060 0.000 2.167 322 K HA 0.309 4.805 4.320 0.293 0.000 0.214 322 K C 1.501 178.106 176.600 0.009 0.000 1.024 322 K CA 0.729 57.030 56.287 0.024 0.000 0.951 322 K CB -0.246 32.256 32.500 0.003 0.000 0.907 322 K HN 0.484 nan 8.250 nan 0.000 0.459 323 G N 2.709 111.517 108.800 0.014 0.000 2.865 323 G HA2 0.234 4.370 3.960 0.293 0.000 0.292 323 G HA3 0.234 4.370 3.960 0.293 0.000 0.292 323 G C -0.153 174.730 174.900 -0.028 0.000 0.800 323 G CA -0.419 44.721 45.100 0.067 0.000 1.838 323 G HN 0.285 nan 8.290 nan 0.000 0.535 324 I N 1.258 121.741 120.570 -0.145 0.000 2.906 324 I HA -0.035 4.311 4.170 0.293 0.000 0.301 324 I C 1.595 177.634 176.117 -0.130 0.000 1.221 324 I CA 1.481 62.647 61.300 -0.225 0.000 1.435 324 I CB 0.410 38.170 38.000 -0.400 0.000 1.345 324 I HN 0.650 nan 8.210 nan 0.000 0.558 325 G N 4.373 113.147 108.800 -0.043 0.000 2.179 325 G HA2 -0.322 3.814 3.960 0.293 0.000 0.257 325 G HA3 -0.322 3.814 3.960 0.293 0.000 0.257 325 G C 0.779 175.759 174.900 0.134 0.000 1.010 325 G CA 0.645 45.768 45.100 0.038 0.000 0.736 325 G HN 0.843 nan 8.290 nan 0.000 0.513 326 S N -1.614 114.175 115.700 0.149 0.000 2.540 326 S HA 0.318 4.964 4.470 0.293 0.000 0.218 326 S C 0.322 175.061 174.600 0.231 0.000 0.977 326 S CA 0.637 58.950 58.200 0.189 0.000 0.918 326 S CB 0.726 63.971 63.200 0.075 0.000 0.806 326 S HN 0.319 nan 8.310 nan 0.000 0.496 327 D N 1.178 121.683 120.400 0.176 0.000 2.441 327 D HA 0.489 5.305 4.640 0.293 0.000 0.231 327 D C 0.911 177.000 176.300 -0.352 0.000 1.073 327 D CA -0.362 53.630 54.000 -0.014 0.000 0.850 327 D CB 1.214 42.023 40.800 0.015 0.000 1.062 327 D HN 0.212 nan 8.370 nan 0.000 0.524 328 G N 2.200 110.566 108.800 -0.723 0.000 2.712 328 G HA2 0.067 4.203 3.960 0.293 0.000 0.212 328 G HA3 0.067 4.203 3.960 0.293 0.000 0.212 328 G C 1.034 175.607 174.900 -0.546 0.000 1.142 328 G CA 0.498 44.817 45.100 -1.300 0.000 0.789 328 G HN 0.523 nan 8.290 nan 0.000 0.535 329 A N 0.019 122.692 122.820 -0.246 0.000 2.275 329 A HA 0.538 5.034 4.320 0.293 0.000 0.212 329 A C 0.854 178.474 177.584 0.060 0.000 1.201 329 A CA -0.382 51.618 52.037 -0.063 0.000 0.843 329 A CB -0.082 18.900 19.000 -0.029 0.000 0.873 329 A HN 0.277 nan 8.150 nan 0.000 0.492 330 L N 1.125 122.335 121.223 -0.022 0.000 2.416 330 L HA 0.194 4.709 4.340 0.293 0.000 0.272 330 L C 0.734 177.533 176.870 -0.118 0.000 1.161 330 L CA -0.267 54.513 54.840 -0.101 0.000 0.845 330 L CB 0.468 42.426 42.059 -0.167 0.000 1.119 330 L HN 0.336 nan 8.230 nan 0.000 0.464 331 R N 3.261 123.674 120.500 -0.145 0.000 2.637 331 R HA 0.151 4.667 4.340 0.293 0.000 0.269 331 R C -1.558 174.658 176.300 -0.139 0.000 1.089 331 R CA -1.455 54.578 56.100 -0.113 0.000 1.177 331 R CB 0.110 30.349 30.300 -0.102 0.000 1.091 331 R HN 0.348 nan 8.270 nan 0.000 0.540 332 P HA -0.098 nan 4.420 nan 0.000 0.218 332 P C 0.711 177.932 177.300 -0.132 0.000 1.149 332 P CA 1.190 64.247 63.100 -0.072 0.000 0.817 332 P CB 0.217 31.914 31.700 -0.005 0.000 0.785 333 G N -1.264 107.461 108.800 -0.126 0.000 3.284 333 G HA2 0.326 4.462 3.960 0.293 0.000 0.236 333 G HA3 0.326 4.462 3.960 0.293 0.000 0.236 333 G C 0.323 175.053 174.900 -0.283 0.000 1.158 333 G CA 0.023 45.053 45.100 -0.116 0.000 0.774 333 G HN 0.335 nan 8.290 nan 0.000 0.545 334 A N 0.520 123.106 122.820 -0.391 0.000 2.520 334 A HA 0.443 4.939 4.320 0.293 0.000 0.245 334 A C -0.514 176.813 177.584 -0.429 0.000 1.072 334 A CA 0.169 51.997 52.037 -0.348 0.000 0.761 334 A CB 0.285 19.073 19.000 -0.354 0.000 1.004 334 A HN 0.259 nan 8.150 nan 0.000 0.499 335 D N 0.796 121.079 120.400 -0.196 0.000 2.696 335 D HA 0.587 5.403 4.640 0.293 0.000 0.251 335 D C -0.857 175.402 176.300 -0.069 0.000 1.188 335 D CA 0.058 54.026 54.000 -0.054 0.000 0.876 335 D CB 1.362 42.281 40.800 0.198 0.000 1.334 335 D HN 0.401 nan 8.370 nan 0.000 0.540 336 T N 3.009 117.428 114.554 -0.224 0.000 2.886 336 T HA 0.492 5.018 4.350 0.293 0.000 0.292 336 T C -1.243 173.315 174.700 -0.237 0.000 1.012 336 T CA -0.521 61.475 62.100 -0.172 0.000 0.982 336 T CB 0.802 69.546 68.868 -0.207 0.000 1.018 336 T HN 0.266 nan 8.240 nan 0.000 0.451 337 W N 1.890 123.173 121.300 -0.027 0.000 2.785 337 W HA 0.732 5.566 4.660 0.290 0.000 0.333 337 W C 0.120 176.592 176.519 -0.078 0.000 1.062 337 W CA -0.848 56.505 57.345 0.013 0.000 1.233 337 W CB 1.636 31.119 29.460 0.038 0.000 1.413 337 W HN 0.416 nan 8.180 nan 0.000 0.489 338 R N 3.693 124.315 120.500 0.202 0.000 2.668 338 R HA 0.682 5.198 4.340 0.293 0.000 0.272 338 R C -2.012 174.361 176.300 0.122 0.000 1.019 338 R CA -0.813 55.332 56.100 0.074 0.000 0.894 338 R CB 2.125 32.431 30.300 0.011 0.000 1.228 338 R HN 0.737 nan 8.270 nan 0.000 0.460 339 I N 2.853 123.476 120.570 0.088 0.000 2.466 339 I HA 0.630 4.976 4.170 0.293 0.000 0.289 339 I C -1.431 174.764 176.117 0.130 0.000 1.026 339 I CA -0.511 60.856 61.300 0.112 0.000 1.078 339 I CB 1.790 39.849 38.000 0.098 0.000 1.249 339 I HN 0.816 nan 8.210 nan 0.000 0.429 340 A N 5.152 128.060 122.820 0.147 0.000 2.355 340 A HA 0.834 5.330 4.320 0.293 0.000 0.317 340 A C -0.888 176.831 177.584 0.223 0.000 1.094 340 A CA -0.455 51.693 52.037 0.184 0.000 0.764 340 A CB 1.732 20.825 19.000 0.155 0.000 1.230 340 A HN 0.631 nan 8.150 nan 0.000 0.448 341 S N 0.840 116.710 115.700 0.282 0.000 2.548 341 S HA 0.712 5.358 4.470 0.293 0.000 0.278 341 S C -1.431 173.426 174.600 0.427 0.000 1.150 341 S CA -0.416 57.965 58.200 0.300 0.000 0.907 341 S CB 0.885 64.244 63.200 0.266 0.000 1.108 341 S HN 1.763 nan 8.310 nan 0.000 0.459 342 Y N 0.672 121.138 120.300 0.277 0.000 2.689 342 Y HA 0.881 5.619 4.550 0.313 0.000 0.333 342 Y C -0.428 175.568 175.900 0.160 0.000 1.208 342 Y CA -0.482 57.795 58.100 0.295 0.000 1.055 342 Y CB 0.693 39.370 38.460 0.361 0.000 1.304 342 Y HN 0.907 nan 8.280 nan 0.000 0.455 343 G N -0.020 108.989 108.800 0.349 0.000 2.692 343 G HA2 0.545 4.681 3.960 0.293 0.000 0.291 343 G HA3 0.545 4.681 3.960 0.293 0.000 0.291 343 G C -1.926 173.295 174.900 0.535 0.000 1.423 343 G CA -1.042 44.190 45.100 0.219 0.000 0.843 343 G HN 0.681 nan 8.290 nan 0.000 0.486 344 T N 0.161 115.034 114.554 0.531 0.000 2.879 344 T HA 0.737 5.263 4.350 0.293 0.000 0.290 344 T C -0.963 173.910 174.700 0.288 0.000 0.993 344 T CA -0.300 62.027 62.100 0.378 0.000 0.975 344 T CB 1.715 70.867 68.868 0.473 0.000 0.981 344 T HN 0.773 nan 8.240 nan 0.000 0.439 345 T N 5.101 119.696 114.554 0.068 0.000 3.193 345 T HA 0.536 5.062 4.350 0.293 0.000 0.332 345 T C -3.098 171.582 174.700 -0.034 0.000 1.208 345 T CA -1.344 60.700 62.100 -0.092 0.000 1.080 345 T CB 1.797 70.323 68.868 -0.570 0.000 1.180 345 T HN 0.277 nan 8.240 nan 0.000 0.469 346 P HA 0.281 nan 4.420 nan 0.000 0.287 346 P C 0.486 177.793 177.300 0.011 0.000 1.294 346 P CA -0.523 62.592 63.100 0.024 0.000 0.776 346 P CB 1.190 32.907 31.700 0.028 0.000 0.889 347 L N 2.571 123.820 121.223 0.042 0.000 2.131 347 L HA 0.027 4.543 4.340 0.293 0.000 0.206 347 L C 1.389 178.286 176.870 0.045 0.000 1.087 347 L CA 1.685 56.541 54.840 0.025 0.000 0.767 347 L CB -0.764 41.316 42.059 0.035 0.000 0.917 347 L HN 0.573 nan 8.230 nan 0.000 0.441 348 S N -2.810 112.945 115.700 0.092 0.000 0.000 348 S HA 0.191 4.837 4.470 0.293 0.000 0.000 348 S C 0.478 175.125 174.600 0.079 0.000 0.000 348 S CA -0.275 57.976 58.200 0.085 0.000 0.000 348 S CB 0.771 64.040 63.200 0.115 0.000 0.000 348 S HN 0.161 nan 8.310 nan 0.000 0.000 349 E N 1.019 121.254 120.200 0.059 0.000 2.515 349 E HA -0.141 4.384 4.350 0.293 0.000 0.201 349 E C 0.542 177.150 176.600 0.012 0.000 1.071 349 E CA 1.695 58.113 56.400 0.030 0.000 0.880 349 E CB -0.861 28.853 29.700 0.024 0.000 0.828 349 E HN 0.822 nan 8.360 nan 0.000 0.540 350 N N -1.843 116.884 118.700 0.045 0.000 2.266 350 N HA 0.073 4.989 4.740 0.293 0.000 0.217 350 N C -0.253 175.185 175.510 -0.120 0.000 1.211 350 N CA -0.512 52.516 53.050 -0.037 0.000 0.881 350 N CB -0.034 38.443 38.487 -0.016 0.000 1.153 350 N HN -0.035 nan 8.380 nan 0.000 0.489 351 W N 1.266 122.537 121.300 -0.047 0.000 2.573 351 W HA 0.692 5.521 4.660 0.282 0.000 0.326 351 W C -0.650 175.833 176.519 -0.061 0.000 1.049 351 W CA -0.388 56.930 57.345 -0.045 0.000 1.220 351 W CB 2.066 31.511 29.460 -0.025 0.000 1.373 351 W HN -0.212 nan 8.180 nan 0.000 0.507 352 S N 1.810 117.611 115.700 0.170 0.000 2.547 352 S HA 0.638 5.284 4.470 0.293 0.000 0.281 352 S C -1.494 173.295 174.600 0.315 0.000 1.118 352 S CA -0.742 57.519 58.200 0.100 0.000 0.947 352 S CB 1.917 64.978 63.200 -0.232 0.000 1.053 352 S HN 0.288 nan 8.310 nan 0.000 0.482 353 V N 2.255 122.350 119.914 0.301 0.000 2.735 353 V HA 0.928 5.224 4.120 0.293 0.000 0.310 353 V C -1.140 174.966 176.094 0.021 0.000 1.061 353 V CA -0.570 61.861 62.300 0.219 0.000 0.913 353 V CB 1.668 33.539 31.823 0.080 0.000 1.005 353 V HN 1.055 nan 8.190 nan 0.000 0.428 354 A N 8.388 131.021 122.820 -0.312 0.000 2.605 354 A HA 0.835 5.331 4.320 0.293 0.000 0.293 354 A C -3.011 174.286 177.584 -0.478 0.000 1.216 354 A CA -1.373 50.248 52.037 -0.694 0.000 0.742 354 A CB 1.258 19.030 19.000 -2.047 0.000 1.170 354 A HN 0.651 nan 8.150 nan 0.000 0.443 355 P HA 0.672 nan 4.420 nan 0.000 0.284 355 P C -0.528 176.805 177.300 0.055 0.000 1.258 355 P CA -0.282 62.807 63.100 -0.018 0.000 0.824 355 P CB 2.064 33.933 31.700 0.281 0.000 1.038 356 A N 2.689 125.470 122.820 -0.064 0.000 2.574 356 A HA 0.752 5.248 4.320 0.293 0.000 0.297 356 A C -0.832 176.809 177.584 0.095 0.000 1.062 356 A CA -0.731 51.389 52.037 0.137 0.000 0.686 356 A CB 1.400 20.510 19.000 0.184 0.000 1.285 356 A HN 0.687 nan 8.150 nan 0.000 0.403 357 M N 2.103 121.840 119.600 0.229 0.000 2.386 357 M HA 0.822 5.478 4.480 0.293 0.000 0.293 357 M C -2.273 174.167 176.300 0.233 0.000 1.120 357 M CA -0.492 54.958 55.300 0.251 0.000 0.909 357 M CB 1.973 34.757 32.600 0.307 0.000 1.661 357 M HN 0.546 nan 8.290 nan 0.000 0.452 358 L N 3.729 125.100 121.223 0.247 0.000 2.441 358 L HA 0.947 5.463 4.340 0.293 0.000 0.270 358 L C -1.440 175.640 176.870 0.349 0.000 0.973 358 L CA -0.413 54.597 54.840 0.284 0.000 0.842 358 L CB 1.906 44.149 42.059 0.306 0.000 1.239 358 L HN 1.096 nan 8.230 nan 0.000 0.406 359 A N 4.503 127.410 122.820 0.145 0.000 2.414 359 A HA 0.776 5.272 4.320 0.293 0.000 0.306 359 A C -1.312 176.043 177.584 -0.382 0.000 1.054 359 A CA -0.473 51.526 52.037 -0.062 0.000 0.724 359 A CB 2.351 21.361 19.000 0.018 0.000 1.267 359 A HN 0.673 nan 8.150 nan 0.000 0.418 360 Q N 0.733 120.024 119.800 -0.848 0.000 2.340 360 Q HA 0.583 5.099 4.340 0.293 0.000 0.276 360 Q C -1.390 174.271 176.000 -0.565 0.000 1.048 360 Q CA -0.632 54.698 55.803 -0.788 0.000 0.832 360 Q CB 2.044 30.085 28.738 -1.161 0.000 1.373 360 Q HN 0.787 nan 8.270 nan 0.000 0.409 361 R N 1.911 122.272 120.500 -0.232 0.000 2.451 361 R HA 0.504 5.020 4.340 0.293 0.000 0.307 361 R C -1.779 174.516 176.300 -0.009 0.000 0.965 361 R CA -0.130 55.918 56.100 -0.086 0.000 0.865 361 R CB 1.824 32.131 30.300 0.012 0.000 1.174 361 R HN 0.498 nan 8.270 nan 0.000 0.455 362 S N 3.868 119.567 115.700 -0.002 0.000 2.707 362 S HA 0.444 5.090 4.470 0.293 0.000 0.303 362 S C -1.139 173.497 174.600 0.060 0.000 1.132 362 S CA -0.763 57.446 58.200 0.014 0.000 1.046 362 S CB 0.676 63.860 63.200 -0.027 0.000 1.004 362 S HN 0.437 nan 8.310 nan 0.000 0.483 363 K N 2.217 122.635 120.400 0.030 0.000 2.156 363 K HA 0.322 4.818 4.320 0.293 0.000 0.250 363 K C -0.375 176.210 176.600 -0.026 0.000 0.955 363 K CA -0.548 55.753 56.287 0.024 0.000 0.855 363 K CB 0.984 33.512 32.500 0.047 0.000 1.101 363 K HN 0.707 nan 8.250 nan 0.000 0.434 364 D N 1.151 121.536 120.400 -0.026 0.000 2.733 364 D HA -0.239 4.577 4.640 0.293 0.000 0.232 364 D C 1.068 177.281 176.300 -0.146 0.000 1.161 364 D CA 0.797 54.761 54.000 -0.060 0.000 0.653 364 D CB -0.418 40.356 40.800 -0.042 0.000 1.052 364 D HN 0.545 nan 8.370 nan 0.000 0.424 365 R N -0.853 119.528 120.500 -0.197 0.000 2.064 365 R HA -0.154 4.362 4.340 0.293 0.000 0.228 365 R C 1.468 177.390 176.300 -0.629 0.000 1.144 365 R CA 1.630 57.437 56.100 -0.488 0.000 0.932 365 R CB 0.026 29.942 30.300 -0.641 0.000 0.833 365 R HN 0.291 nan 8.270 nan 0.000 0.429 366 Y N -2.121 118.018 120.300 -0.269 0.000 2.526 366 Y HA 0.466 5.192 4.550 0.293 0.000 0.265 366 Y C 0.213 175.894 175.900 -0.364 0.000 1.092 366 Y CA -0.063 57.718 58.100 -0.532 0.000 1.277 366 Y CB 0.610 38.254 38.460 -1.359 0.000 1.228 366 Y HN 0.089 nan 8.280 nan 0.000 0.507 367 A N -0.111 122.665 122.820 -0.074 0.000 2.386 367 A HA 0.456 4.952 4.320 0.293 0.000 0.311 367 A C -1.259 176.326 177.584 0.001 0.000 1.068 367 A CA -0.648 51.395 52.037 0.011 0.000 0.743 367 A CB 0.664 19.717 19.000 0.087 0.000 1.258 367 A HN 0.019 nan 8.150 nan 0.000 0.429 368 D N 1.140 121.546 120.400 0.009 0.000 2.487 368 D HA 0.364 5.180 4.640 0.293 0.000 0.243 368 D C 1.421 177.726 176.300 0.008 0.000 1.154 368 D CA 2.191 56.194 54.000 0.004 0.000 0.876 368 D CB 0.479 41.286 40.800 0.011 0.000 1.161 368 D HN 1.425 nan 8.370 nan 0.000 0.478 369 G N 3.329 112.131 108.800 0.002 0.000 2.159 369 G HA2 -0.260 3.876 3.960 0.293 0.000 0.256 369 G HA3 -0.260 3.876 3.960 0.293 0.000 0.256 369 G C 0.189 175.083 174.900 -0.010 0.000 0.977 369 G CA 0.464 45.565 45.100 0.001 0.000 0.652 369 G HN 0.782 nan 8.290 nan 0.000 0.531 370 D N -0.133 120.259 120.400 -0.014 0.000 2.398 370 D HA 0.670 5.486 4.640 0.293 0.000 0.247 370 D C 0.211 176.472 176.300 -0.064 0.000 1.227 370 D CA 0.006 53.977 54.000 -0.048 0.000 0.980 370 D CB 1.384 42.182 40.800 -0.004 0.000 1.106 370 D HN 0.798 nan 8.370 nan 0.000 0.493 371 S N -0.195 115.394 115.700 -0.185 0.000 2.605 371 S HA 0.407 5.053 4.470 0.293 0.000 0.279 371 S C -2.185 172.269 174.600 -0.243 0.000 1.166 371 S CA -0.874 57.259 58.200 -0.112 0.000 0.975 371 S CB -0.133 63.030 63.200 -0.063 0.000 1.111 371 S HN 0.389 nan 8.310 nan 0.000 0.465 372 Y N 2.845 123.152 120.300 0.012 0.000 2.326 372 Y HA 0.577 5.303 4.550 0.293 0.000 0.331 372 Y C 0.347 176.219 175.900 -0.047 0.000 0.962 372 Y CA -0.505 57.623 58.100 0.048 0.000 1.167 372 Y CB 1.859 40.385 38.460 0.110 0.000 1.148 372 Y HN 0.606 nan 8.280 nan 0.000 0.463 373 Q N 4.786 124.638 119.800 0.087 0.000 2.347 373 Q HA 0.562 5.078 4.340 0.293 0.000 0.271 373 Q C -1.298 174.738 176.000 0.060 0.000 1.064 373 Q CA -0.859 54.911 55.803 -0.055 0.000 0.800 373 Q CB 2.821 31.566 28.738 0.012 0.000 1.304 373 Q HN 0.810 nan 8.270 nan 0.000 0.438 374 W N -0.034 121.301 121.300 0.060 0.000 3.059 374 W HA 0.812 5.646 4.660 0.289 0.000 0.329 374 W C -2.126 174.431 176.519 0.063 0.000 1.246 374 W CA -1.107 56.253 57.345 0.025 0.000 1.190 374 W CB 0.750 30.176 29.460 -0.057 0.000 1.423 374 W HN 0.736 nan 8.180 nan 0.000 0.571 375 A N 1.432 124.565 122.820 0.522 0.000 2.465 375 A HA 0.656 5.152 4.320 0.293 0.000 0.292 375 A C -1.288 176.508 177.584 0.352 0.000 1.041 375 A CA -0.366 51.920 52.037 0.416 0.000 0.718 375 A CB 1.719 20.892 19.000 0.288 0.000 1.266 375 A HN 0.429 nan 8.150 nan 0.000 0.403 376 T N 2.097 116.857 114.554 0.343 0.000 2.797 376 T HA 0.607 5.133 4.350 0.293 0.000 0.279 376 T C -1.213 173.658 174.700 0.284 0.000 0.991 376 T CA -0.008 62.212 62.100 0.201 0.000 0.979 376 T CB 0.566 69.463 68.868 0.048 0.000 0.943 376 T HN 0.594 nan 8.240 nan 0.000 0.444 377 F N 4.396 124.455 119.950 0.181 0.000 2.477 377 F HA 0.527 5.226 4.527 0.288 0.000 0.335 377 F C -0.345 175.554 175.800 0.166 0.000 1.130 377 F CA -0.916 57.201 58.000 0.195 0.000 0.948 377 F CB 0.918 40.064 39.000 0.243 0.000 1.154 377 F HN 0.428 nan 8.300 nan 0.000 0.439 378 N N 6.588 124.903 118.700 -0.642 0.000 2.319 378 N HA 0.505 5.420 4.740 0.293 0.000 0.305 378 N C -2.271 172.815 175.510 -0.707 0.000 1.103 378 N CA -0.506 52.268 53.050 -0.460 0.000 0.815 378 N CB 2.019 40.395 38.487 -0.184 0.000 1.288 378 N HN 0.721 nan 8.380 nan 0.000 0.493 379 L N 3.223 124.224 121.223 -0.369 0.000 2.555 379 L HA 0.400 4.915 4.340 0.293 0.000 0.264 379 L C -1.140 175.662 176.870 -0.112 0.000 0.972 379 L CA -0.415 54.269 54.840 -0.259 0.000 0.876 379 L CB 1.359 43.378 42.059 -0.068 0.000 1.216 379 L HN 0.682 nan 8.230 nan 0.000 0.415 380 R N 4.002 124.357 120.500 -0.242 0.000 2.346 380 R HA 0.794 5.310 4.340 0.293 0.000 0.311 380 R C -1.493 174.831 176.300 0.039 0.000 0.983 380 R CA -0.153 55.860 56.100 -0.144 0.000 0.880 380 R CB 1.333 31.374 30.300 -0.431 0.000 1.100 380 R HN 0.657 nan 8.270 nan 0.000 0.453 381 L N 6.125 127.506 121.223 0.264 0.000 2.410 381 L HA 0.571 5.087 4.340 0.293 0.000 0.270 381 L C -0.852 176.226 176.870 0.347 0.000 0.983 381 L CA -0.723 54.364 54.840 0.413 0.000 0.822 381 L CB 1.883 44.267 42.059 0.541 0.000 1.285 381 L HN 0.577 nan 8.230 nan 0.000 0.409 382 I N 1.339 121.990 120.570 0.134 0.000 2.646 382 I HA 0.540 4.886 4.170 0.293 0.000 0.299 382 I C -0.687 175.105 176.117 -0.542 0.000 1.036 382 I CA -0.651 60.534 61.300 -0.192 0.000 1.074 382 I CB 1.942 39.753 38.000 -0.315 0.000 1.258 382 I HN 0.589 nan 8.210 nan 0.000 0.430 383 Q N 4.151 123.504 119.800 -0.745 0.000 2.337 383 Q HA 0.635 5.151 4.340 0.293 0.000 0.264 383 Q C -1.170 174.441 176.000 -0.647 0.000 1.007 383 Q CA -0.727 54.419 55.803 -1.095 0.000 0.727 383 Q CB 1.966 29.798 28.738 -1.510 0.000 1.256 383 Q HN 0.919 nan 8.270 nan 0.000 0.467 384 A N 4.864 127.392 122.820 -0.486 0.000 2.488 384 A HA 0.263 4.759 4.320 0.293 0.000 0.249 384 A C 0.327 177.753 177.584 -0.263 0.000 1.083 384 A CA 0.010 51.851 52.037 -0.326 0.000 0.768 384 A CB 0.127 18.995 19.000 -0.220 0.000 1.017 384 A HN 0.994 nan 8.150 nan 0.000 0.496 385 I N 1.057 121.492 120.570 -0.224 0.000 3.883 385 I HA 0.092 4.438 4.170 0.293 0.000 0.305 385 I C 0.561 176.676 176.117 -0.004 0.000 1.247 385 I CA 0.211 61.450 61.300 -0.101 0.000 1.350 385 I CB 0.217 38.164 38.000 -0.088 0.000 1.194 385 I HN 0.644 nan 8.210 nan 0.000 0.441 386 N N -0.704 117.996 118.700 0.001 0.000 3.513 386 N HA 0.179 5.095 4.740 0.293 0.000 0.351 386 N C 0.186 175.697 175.510 0.003 0.000 1.624 386 N CA -0.435 52.638 53.050 0.038 0.000 0.712 386 N CB 0.443 38.992 38.487 0.104 0.000 2.106 386 N HN -0.118 nan 8.380 nan 0.000 0.649 387 Q N -0.155 119.659 119.800 0.023 0.000 2.402 387 Q HA 0.238 4.754 4.340 0.293 0.000 0.206 387 Q C -0.162 175.852 176.000 0.023 0.000 0.919 387 Q CA 0.941 56.750 55.803 0.010 0.000 0.923 387 Q CB 0.140 28.889 28.738 0.018 0.000 1.048 387 Q HN 0.512 nan 8.270 nan 0.000 0.515 388 N N -1.304 117.435 118.700 0.064 0.000 2.193 388 N HA 0.116 5.032 4.740 0.293 0.000 0.210 388 N C -0.949 174.642 175.510 0.136 0.000 1.215 388 N CA -0.299 52.818 53.050 0.112 0.000 0.901 388 N CB 0.919 39.509 38.487 0.171 0.000 1.060 388 N HN -0.023 nan 8.380 nan 0.000 0.508 389 F N 2.146 122.006 119.950 -0.150 0.000 2.467 389 F HA 0.752 5.457 4.527 0.297 0.000 0.336 389 F C -1.073 174.548 175.800 -0.298 0.000 1.123 389 F CA -1.384 56.407 58.000 -0.348 0.000 0.964 389 F CB 1.098 39.891 39.000 -0.346 0.000 1.136 389 F HN -0.158 nan 8.300 nan 0.000 0.447 390 A N 6.275 128.580 122.820 -0.858 0.000 2.498 390 A HA 0.785 5.281 4.320 0.293 0.000 0.298 390 A C -1.965 175.046 177.584 -0.955 0.000 1.075 390 A CA -0.764 50.799 52.037 -0.791 0.000 0.714 390 A CB 1.501 20.217 19.000 -0.474 0.000 1.299 390 A HN 0.746 nan 8.150 nan 0.000 0.407 391 L N 1.600 122.366 121.223 -0.762 0.000 2.287 391 L HA 0.655 5.171 4.340 0.293 0.000 0.287 391 L C 0.350 176.841 176.870 -0.632 0.000 1.022 391 L CA -0.434 53.991 54.840 -0.692 0.000 0.814 391 L CB 1.589 43.404 42.059 -0.407 0.000 1.217 391 L HN 0.848 nan 8.230 nan 0.000 0.420 392 A N 3.865 126.299 122.820 -0.645 0.000 2.337 392 A HA 0.819 5.315 4.320 0.293 0.000 0.329 392 A C -1.531 175.772 177.584 -0.468 0.000 1.146 392 A CA -0.333 51.478 52.037 -0.378 0.000 0.800 392 A CB 0.847 19.744 19.000 -0.171 0.000 1.220 392 A HN 0.565 nan 8.150 nan 0.000 0.472 393 Y N -0.130 120.245 120.300 0.124 0.000 2.499 393 Y HA 0.690 5.414 4.550 0.290 0.000 0.347 393 Y C 0.075 176.066 175.900 0.152 0.000 0.987 393 Y CA -0.746 57.475 58.100 0.201 0.000 1.044 393 Y CB 2.165 40.790 38.460 0.275 0.000 1.245 393 Y HN 0.777 nan 8.280 nan 0.000 0.461 394 E N 0.719 121.095 120.200 0.294 0.000 2.290 394 E HA 0.688 5.214 4.350 0.293 0.000 0.274 394 E C -1.306 175.411 176.600 0.195 0.000 0.889 394 E CA -0.762 55.752 56.400 0.189 0.000 0.760 394 E CB 1.852 31.626 29.700 0.122 0.000 1.206 394 E HN 0.915 nan 8.360 nan 0.000 0.419 395 G N 1.739 110.639 108.800 0.166 0.000 2.590 395 G HA2 0.536 4.672 3.960 0.293 0.000 0.310 395 G HA3 0.536 4.672 3.960 0.293 0.000 0.310 395 G C -1.132 173.875 174.900 0.180 0.000 1.347 395 G CA -0.442 44.782 45.100 0.208 0.000 0.963 395 G HN 0.333 nan 8.290 nan 0.000 0.494 396 S N 0.385 116.223 115.700 0.229 0.000 2.500 396 S HA 0.622 5.268 4.470 0.293 0.000 0.301 396 S C -1.602 173.202 174.600 0.341 0.000 1.092 396 S CA -0.518 57.810 58.200 0.213 0.000 1.030 396 S CB 1.619 64.904 63.200 0.142 0.000 1.031 396 S HN 0.631 nan 8.310 nan 0.000 0.483 397 Y N 2.394 122.835 120.300 0.235 0.000 2.406 397 Y HA 0.600 5.325 4.550 0.291 0.000 0.340 397 Y C -0.771 175.216 175.900 0.144 0.000 0.975 397 Y CA -0.446 57.765 58.100 0.186 0.000 1.056 397 Y CB 1.382 40.006 38.460 0.273 0.000 1.210 397 Y HN 0.660 nan 8.280 nan 0.000 0.448 398 Q N 5.675 124.954 119.800 -0.867 0.000 2.268 398 Q HA 0.299 4.815 4.340 0.293 0.000 0.266 398 Q C -2.339 173.308 176.000 -0.589 0.000 1.006 398 Q CA -0.821 54.668 55.803 -0.523 0.000 0.824 398 Q CB 2.097 30.663 28.738 -0.287 0.000 1.306 398 Q HN 0.814 nan 8.270 nan 0.000 0.424 399 Y N 4.807 124.906 120.300 -0.334 0.000 2.446 399 Y HA 0.694 5.420 4.550 0.292 0.000 0.338 399 Y C -0.891 175.023 175.900 0.022 0.000 1.055 399 Y CA -0.623 57.396 58.100 -0.135 0.000 1.101 399 Y CB 1.530 40.023 38.460 0.055 0.000 1.221 399 Y HN 0.709 nan 8.280 nan 0.000 0.460 400 M N 3.974 123.097 119.600 -0.795 0.000 2.465 400 M HA 0.458 5.114 4.480 0.293 0.000 0.284 400 M C -2.474 173.530 176.300 -0.494 0.000 1.212 400 M CA -0.783 54.297 55.300 -0.365 0.000 0.910 400 M CB 2.601 35.086 32.600 -0.193 0.000 1.725 400 M HN 0.586 nan 8.290 nan 0.000 0.477 401 D N 3.928 124.241 120.400 -0.145 0.000 2.386 401 D HA 0.565 5.381 4.640 0.293 0.000 0.247 401 D C -1.954 174.333 176.300 -0.021 0.000 1.336 401 D CA -0.131 53.832 54.000 -0.062 0.000 0.976 401 D CB 1.270 42.114 40.800 0.073 0.000 1.257 401 D HN 0.785 nan 8.370 nan 0.000 0.570 402 L N 2.825 124.021 121.223 -0.045 0.000 2.305 402 L HA 0.544 5.060 4.340 0.293 0.000 0.284 402 L C 0.324 177.127 176.870 -0.112 0.000 1.013 402 L CA -0.741 54.047 54.840 -0.086 0.000 0.819 402 L CB 1.826 43.885 42.059 -0.000 0.000 1.227 402 L HN 0.001 nan 8.230 nan 0.000 0.417 403 K N 4.336 124.575 120.400 -0.268 0.000 2.540 403 K HA 0.265 4.761 4.320 0.293 0.000 0.218 403 K C -1.907 174.524 176.600 -0.281 0.000 1.017 403 K CA -1.398 54.781 56.287 -0.181 0.000 1.029 403 K CB 1.638 34.072 32.500 -0.110 0.000 1.348 403 K HN 0.309 nan 8.250 nan 0.000 0.508 404 P HA -0.139 nan 4.420 nan 0.000 0.229 404 P C -0.561 176.789 177.300 0.085 0.000 1.160 404 P CA 0.693 63.791 63.100 -0.004 0.000 0.777 404 P CB 0.308 32.103 31.700 0.158 0.000 0.814 405 E N -0.668 119.552 120.200 0.032 0.000 2.297 405 E HA -0.207 4.319 4.350 0.293 0.000 0.228 405 E C 1.163 177.813 176.600 0.082 0.000 1.213 405 E CA 1.199 57.628 56.400 0.047 0.000 0.712 405 E CB -2.382 27.342 29.700 0.040 0.000 1.202 405 E HN 0.518 nan 8.360 nan 0.000 0.376 406 G N -0.482 108.358 108.800 0.068 0.000 2.234 406 G HA2 -0.433 3.702 3.960 0.293 0.000 0.260 406 G HA3 -0.433 3.702 3.960 0.293 0.000 0.260 406 G C 0.102 175.047 174.900 0.075 0.000 0.987 406 G CA 0.387 45.519 45.100 0.053 0.000 0.625 406 G HN 0.432 nan 8.290 nan 0.000 0.532 407 Y N 1.827 122.135 120.300 0.013 0.000 2.729 407 Y HA 0.325 5.051 4.550 0.293 0.000 0.331 407 Y C 1.283 177.158 175.900 -0.041 0.000 1.208 407 Y CA 0.694 58.803 58.100 0.016 0.000 1.521 407 Y CB 0.132 38.658 38.460 0.110 0.000 1.233 407 Y HN 0.340 nan 8.280 nan 0.000 0.539 408 N N 3.334 121.704 118.700 -0.549 0.000 2.753 408 N HA -0.265 4.651 4.740 0.293 0.000 0.251 408 N C -0.474 174.876 175.510 -0.267 0.000 1.097 408 N CA 1.545 54.310 53.050 -0.475 0.000 0.786 408 N CB -1.053 37.120 38.487 -0.522 0.000 1.137 408 N HN 0.879 nan 8.380 nan 0.000 0.566 409 D N -2.440 117.847 120.400 -0.187 0.000 3.068 409 D HA -0.197 4.619 4.640 0.293 0.000 0.218 409 D C -0.422 175.774 176.300 -0.173 0.000 1.145 409 D CA 0.780 54.694 54.000 -0.143 0.000 0.896 409 D CB -0.545 40.176 40.800 -0.131 0.000 1.105 409 D HN 0.386 nan 8.370 nan 0.000 0.423 410 R N 0.730 121.103 120.500 -0.212 0.000 2.459 410 R HA 0.382 4.898 4.340 0.293 0.000 0.281 410 R C 0.841 177.037 176.300 -0.173 0.000 1.050 410 R CA -0.225 55.661 56.100 -0.356 0.000 1.055 410 R CB 0.784 30.751 30.300 -0.554 0.000 1.045 410 R HN 0.061 nan 8.270 nan 0.000 0.495 411 Q N 0.582 120.303 119.800 -0.132 0.000 2.312 411 Q HA 0.438 4.954 4.340 0.293 0.000 0.263 411 Q C -0.478 175.571 176.000 0.083 0.000 0.995 411 Q CA -0.781 55.017 55.803 -0.007 0.000 0.853 411 Q CB 2.207 30.951 28.738 0.010 0.000 1.300 411 Q HN 0.693 nan 8.270 nan 0.000 0.448 412 A N 1.823 124.683 122.820 0.067 0.000 2.565 412 A HA 0.320 4.816 4.320 0.293 0.000 0.237 412 A C -0.137 177.506 177.584 0.099 0.000 1.053 412 A CA 0.134 52.217 52.037 0.077 0.000 0.755 412 A CB 0.294 19.313 19.000 0.031 0.000 0.980 412 A HN 0.462 nan 8.150 nan 0.000 0.506 413 V N 2.693 122.667 119.914 0.101 0.000 3.147 413 V HA 0.709 5.005 4.120 0.293 0.000 0.306 413 V C -0.944 175.147 176.094 -0.004 0.000 1.209 413 V CA -0.247 62.095 62.300 0.071 0.000 1.023 413 V CB 2.699 34.593 31.823 0.119 0.000 1.059 413 V HN 1.346 nan 8.190 nan 0.000 0.435 414 N N 2.498 121.188 118.700 -0.017 0.000 2.367 414 N HA 0.867 5.782 4.740 0.293 0.000 0.278 414 N C -0.689 174.774 175.510 -0.079 0.000 1.117 414 N CA -0.017 52.975 53.050 -0.096 0.000 0.867 414 N CB 2.474 40.960 38.487 -0.003 0.000 1.649 414 N HN 1.189 nan 8.380 nan 0.000 0.479 415 G N -0.066 108.583 108.800 -0.252 0.000 2.324 415 G HA2 0.418 4.554 3.960 0.293 0.000 0.293 415 G HA3 0.418 4.554 3.960 0.293 0.000 0.293 415 G C -1.726 173.067 174.900 -0.179 0.000 1.297 415 G CA -0.341 44.723 45.100 -0.060 0.000 0.853 415 G HN 1.198 nan 8.290 nan 0.000 0.535 416 S N -1.294 114.420 115.700 0.024 0.000 2.600 416 S HA 0.862 5.508 4.470 0.293 0.000 0.300 416 S C -1.299 173.200 174.600 -0.170 0.000 1.087 416 S CA -0.767 57.348 58.200 -0.142 0.000 0.965 416 S CB 2.428 65.588 63.200 -0.067 0.000 1.089 416 S HN 1.443 nan 8.310 nan 0.000 0.496 417 F N 1.358 120.963 119.950 -0.574 0.000 2.532 417 F HA 0.738 5.440 4.527 0.292 0.000 0.321 417 F C -1.846 173.615 175.800 -0.564 0.000 1.089 417 F CA -0.883 56.894 58.000 -0.371 0.000 0.926 417 F CB 1.449 40.283 39.000 -0.277 0.000 1.168 417 F HN 0.697 nan 8.300 nan 0.000 0.459 418 Y N 3.491 123.617 120.300 -0.291 0.000 2.477 418 Y HA 0.557 5.282 4.550 0.292 0.000 0.347 418 Y C -0.725 175.086 175.900 -0.149 0.000 0.981 418 Y CA -1.154 56.932 58.100 -0.024 0.000 1.033 418 Y CB 2.146 40.654 38.460 0.081 0.000 1.245 418 Y HN 0.476 nan 8.280 nan 0.000 0.455 419 K N 3.288 123.842 120.400 0.257 0.000 2.535 419 K HA 0.652 5.148 4.320 0.293 0.000 0.250 419 K C -2.212 174.532 176.600 0.240 0.000 0.948 419 K CA -0.449 55.956 56.287 0.196 0.000 0.796 419 K CB 1.393 34.041 32.500 0.247 0.000 1.216 419 K HN 0.759 nan 8.250 nan 0.000 0.432 420 L N 3.117 124.484 121.223 0.240 0.000 2.356 420 L HA 0.529 5.045 4.340 0.293 0.000 0.277 420 L C -0.819 176.177 176.870 0.209 0.000 0.996 420 L CA -0.725 54.260 54.840 0.242 0.000 0.822 420 L CB 2.359 44.563 42.059 0.242 0.000 1.256 420 L HN 0.667 nan 8.230 nan 0.000 0.413 421 T N 2.585 117.279 114.554 0.233 0.000 2.921 421 T HA 0.443 4.969 4.350 0.293 0.000 0.297 421 T C -1.223 173.670 174.700 0.321 0.000 1.013 421 T CA -0.398 61.842 62.100 0.232 0.000 0.990 421 T CB 1.711 70.656 68.868 0.129 0.000 1.023 421 T HN 0.266 nan 8.240 nan 0.000 0.447 422 F N 3.118 123.173 119.950 0.174 0.000 2.449 422 F HA 0.732 5.435 4.527 0.292 0.000 0.342 422 F C -0.745 175.118 175.800 0.106 0.000 1.127 422 F CA -1.144 56.911 58.000 0.092 0.000 0.975 422 F CB 0.881 39.983 39.000 0.170 0.000 1.146 422 F HN 0.628 nan 8.300 nan 0.000 0.444 423 A N 7.582 130.043 122.820 -0.599 0.000 2.702 423 A HA 0.603 5.099 4.320 0.293 0.000 0.305 423 A C -2.982 174.314 177.584 -0.480 0.000 1.213 423 A CA -1.643 50.177 52.037 -0.361 0.000 0.745 423 A CB 0.220 19.211 19.000 -0.015 0.000 1.161 423 A HN 0.508 nan 8.150 nan 0.000 0.445 424 P HA 0.219 nan 4.420 nan 0.000 0.264 424 P C -0.146 177.127 177.300 -0.045 0.000 1.193 424 P CA 0.915 63.847 63.100 -0.280 0.000 0.763 424 P CB 0.879 32.632 31.700 0.089 0.000 0.810 425 T N 3.668 118.084 114.554 -0.230 0.000 2.886 425 T HA 0.574 5.099 4.350 0.293 0.000 0.292 425 T C -0.764 173.852 174.700 -0.141 0.000 1.012 425 T CA -0.189 61.864 62.100 -0.079 0.000 0.982 425 T CB 0.530 69.321 68.868 -0.129 0.000 1.018 425 T HN 0.019 nan 8.240 nan 0.000 0.451 426 F N 2.979 123.020 119.950 0.152 0.000 2.495 426 F HA 0.709 5.413 4.527 0.295 0.000 0.327 426 F C 0.549 176.378 175.800 0.048 0.000 1.103 426 F CA -0.748 57.341 58.000 0.148 0.000 0.949 426 F CB 1.706 40.803 39.000 0.162 0.000 1.142 426 F HN 0.476 nan 8.300 nan 0.000 0.457 427 K N -0.399 120.125 120.400 0.206 0.000 2.672 427 K HA 0.589 5.085 4.320 0.293 0.000 0.295 427 K C -0.878 175.763 176.600 0.068 0.000 1.042 427 K CA -0.751 55.588 56.287 0.087 0.000 0.869 427 K CB 1.775 34.279 32.500 0.006 0.000 1.541 427 K HN 0.336 nan 8.250 nan 0.000 0.396 428 V N -2.793 117.138 119.914 0.028 0.000 3.379 428 V HA 0.313 4.609 4.120 0.293 0.000 0.249 428 V C 0.989 177.083 176.094 -0.000 0.000 1.184 428 V CA 1.019 63.332 62.300 0.021 0.000 1.106 428 V CB -0.080 31.752 31.823 0.015 0.000 0.826 428 V HN 0.773 nan 8.190 nan 0.000 0.465 429 G N 0.504 109.293 108.800 -0.018 0.000 2.583 429 G HA2 0.262 4.398 3.960 0.293 0.000 0.275 429 G HA3 0.262 4.398 3.960 0.293 0.000 0.275 429 G C 0.008 174.886 174.900 -0.037 0.000 1.342 429 G CA 0.403 45.487 45.100 -0.027 0.000 1.030 429 G HN 0.461 nan 8.290 nan 0.000 0.520 430 S N -0.740 114.938 115.700 -0.037 0.000 2.443 430 S HA 0.083 4.728 4.470 0.293 0.000 0.284 430 S C 1.782 176.325 174.600 -0.095 0.000 1.206 430 S CA -0.655 57.515 58.200 -0.050 0.000 1.074 430 S CB -0.371 62.813 63.200 -0.026 0.000 0.963 430 S HN 0.361 nan 8.310 nan 0.000 0.501 431 I N 4.844 125.341 120.570 -0.122 0.000 2.226 431 I HA -0.092 4.254 4.170 0.293 0.000 0.245 431 I C 2.536 178.490 176.117 -0.271 0.000 1.100 431 I CA 1.284 62.471 61.300 -0.189 0.000 1.374 431 I CB -0.720 37.163 38.000 -0.196 0.000 1.057 431 I HN 0.767 nan 8.210 nan 0.000 0.413 432 G N -0.096 108.570 108.800 -0.223 0.000 2.625 432 G HA2 -0.184 3.952 3.960 0.293 0.000 0.214 432 G HA3 -0.184 3.952 3.960 0.293 0.000 0.214 432 G C 0.369 175.090 174.900 -0.299 0.000 1.132 432 G CA 0.145 45.087 45.100 -0.265 0.000 0.782 432 G HN 0.257 nan 8.290 nan 0.000 0.538 433 D N -0.679 119.592 120.400 -0.215 0.000 2.317 433 D HA 0.288 5.104 4.640 0.293 0.000 0.234 433 D C 0.553 176.752 176.300 -0.168 0.000 1.112 433 D CA -1.033 52.908 54.000 -0.099 0.000 0.840 433 D CB 0.652 41.464 40.800 0.020 0.000 1.078 433 D HN -0.011 nan 8.370 nan 0.000 0.486 434 F N 2.255 122.154 119.950 -0.084 0.000 2.451 434 F HA 0.021 4.709 4.527 0.269 0.000 0.299 434 F C 1.379 176.975 175.800 -0.339 0.000 1.101 434 F CA 0.495 58.382 58.000 -0.188 0.000 1.436 434 F CB -0.081 38.825 39.000 -0.156 0.000 1.074 434 F HN 0.382 nan 8.300 nan 0.000 0.553 435 F N -0.853 119.284 119.950 0.312 0.000 2.678 435 F HA 0.171 4.862 4.527 0.273 0.000 0.305 435 F C 1.149 176.957 175.800 0.014 0.000 1.090 435 F CA -0.732 57.417 58.000 0.248 0.000 1.272 435 F CB -0.950 38.258 39.000 0.347 0.000 1.060 435 F HN -0.298 nan 8.300 nan 0.000 0.576 436 S N 0.770 116.502 115.700 0.053 0.000 2.510 436 S HA 0.250 4.896 4.470 0.293 0.000 0.279 436 S C 1.282 175.721 174.600 -0.269 0.000 1.284 436 S CA -0.646 57.512 58.200 -0.071 0.000 1.059 436 S CB 1.739 64.910 63.200 -0.048 0.000 0.901 436 S HN 0.111 nan 8.310 nan 0.000 0.491 437 R N 1.944 122.194 120.500 -0.417 0.000 2.087 437 R HA 0.227 4.743 4.340 0.293 0.000 0.213 437 R C -2.033 174.062 176.300 -0.341 0.000 1.137 437 R CA -0.532 55.206 56.100 -0.602 0.000 1.022 437 R CB -2.108 27.427 30.300 -1.276 0.000 0.920 437 R HN 0.439 nan 8.270 nan 0.000 0.451 438 P HA -0.081 nan 4.420 nan 0.000 0.251 438 P C -0.730 176.523 177.300 -0.079 0.000 1.154 438 P CA 0.904 63.939 63.100 -0.108 0.000 0.805 438 P CB -0.173 31.491 31.700 -0.061 0.000 0.759 439 E N 3.426 123.584 120.200 -0.070 0.000 2.335 439 E HA 0.469 4.995 4.350 0.293 0.000 0.280 439 E C -1.542 175.065 176.600 0.011 0.000 0.918 439 E CA -0.828 55.563 56.400 -0.015 0.000 0.765 439 E CB 1.285 30.965 29.700 -0.032 0.000 1.218 439 E HN 0.150 nan 8.360 nan 0.000 0.425 440 I N 3.906 124.514 120.570 0.063 0.000 2.378 440 I HA 0.437 4.783 4.170 0.293 0.000 0.291 440 I C -0.248 175.913 176.117 0.074 0.000 0.992 440 I CA -0.913 60.402 61.300 0.026 0.000 1.154 440 I CB 1.174 39.182 38.000 0.015 0.000 1.315 440 I HN 0.539 nan 8.210 nan 0.000 0.448 441 R N 5.647 126.120 120.500 -0.044 0.000 2.744 441 R HA 0.607 5.122 4.340 0.293 0.000 0.279 441 R C -1.987 174.168 176.300 -0.243 0.000 0.977 441 R CA -0.620 55.492 56.100 0.019 0.000 0.906 441 R CB 1.724 32.111 30.300 0.144 0.000 1.197 441 R HN 0.241 nan 8.270 nan 0.000 0.463 442 F N 1.734 121.742 119.950 0.095 0.000 2.522 442 F HA 0.605 5.307 4.527 0.293 0.000 0.324 442 F C -0.407 175.367 175.800 -0.043 0.000 1.077 442 F CA -0.480 57.466 58.000 -0.091 0.000 0.944 442 F CB 1.604 40.619 39.000 0.025 0.000 1.175 442 F HN 0.587 nan 8.300 nan 0.000 0.468 443 Y N -1.648 118.808 120.300 0.261 0.000 2.689 443 Y HA 0.805 5.532 4.550 0.294 0.000 0.333 443 Y C -1.274 174.791 175.900 0.275 0.000 1.208 443 Y CA -1.684 56.532 58.100 0.194 0.000 1.055 443 Y CB 1.263 39.786 38.460 0.106 0.000 1.304 443 Y HN 0.412 nan 8.280 nan 0.000 0.455 444 T N 1.392 116.249 114.554 0.506 0.000 2.971 444 T HA 0.691 5.217 4.350 0.293 0.000 0.304 444 T C -1.154 173.710 174.700 0.274 0.000 1.038 444 T CA -0.785 61.515 62.100 0.334 0.000 1.007 444 T CB 1.637 70.775 68.868 0.450 0.000 1.055 444 T HN 0.720 nan 8.240 nan 0.000 0.451 445 S N 2.157 117.923 115.700 0.110 0.000 2.568 445 S HA 0.737 5.383 4.470 0.293 0.000 0.293 445 S C -1.737 172.786 174.600 -0.129 0.000 1.089 445 S CA -0.974 57.261 58.200 0.059 0.000 0.945 445 S CB 1.773 65.013 63.200 0.066 0.000 1.077 445 S HN 0.708 nan 8.310 nan 0.000 0.485 446 W N 3.919 124.969 121.300 -0.418 0.000 2.739 446 W HA 0.687 5.522 4.660 0.291 0.000 0.331 446 W C -2.372 173.941 176.519 -0.344 0.000 1.049 446 W CA -0.904 56.006 57.345 -0.725 0.000 1.234 446 W CB 1.065 29.940 29.460 -0.974 0.000 1.404 446 W HN 0.544 nan 8.180 nan 0.000 0.477 447 M N 5.415 124.369 119.600 -1.077 0.000 2.446 447 M HA 0.273 4.929 4.480 0.293 0.000 0.294 447 M C -1.381 174.188 176.300 -1.219 0.000 1.158 447 M CA -0.378 54.393 55.300 -0.881 0.000 0.899 447 M CB 2.738 35.175 32.600 -0.271 0.000 1.687 447 M HN 0.349 nan 8.290 nan 0.000 0.455 448 D N 1.509 121.368 120.400 -0.903 0.000 2.599 448 D HA 0.738 5.554 4.640 0.293 0.000 0.252 448 D C -2.071 174.076 176.300 -0.255 0.000 1.232 448 D CA 0.212 53.766 54.000 -0.743 0.000 0.819 448 D CB 2.230 42.674 40.800 -0.594 0.000 1.401 448 D HN 0.614 nan 8.370 nan 0.000 0.429 449 W N -0.390 120.764 121.300 -0.244 0.000 3.057 449 W HA 0.563 5.398 4.660 0.292 0.000 0.328 449 W C -1.452 175.074 176.519 0.012 0.000 1.232 449 W CA -0.816 56.474 57.345 -0.092 0.000 1.187 449 W CB 0.031 29.437 29.460 -0.091 0.000 1.417 449 W HN 0.152 nan 8.180 nan 0.000 0.569 450 S N 1.886 117.768 115.700 0.304 0.000 2.516 450 S HA 0.008 4.653 4.470 0.293 0.000 0.282 450 S C 1.360 176.107 174.600 0.246 0.000 1.286 450 S CA 0.071 58.391 58.200 0.201 0.000 1.066 450 S CB 0.831 64.149 63.200 0.196 0.000 0.884 450 S HN 0.572 nan 8.310 nan 0.000 0.491 451 K N 4.005 124.462 120.400 0.095 0.000 2.218 451 K HA -0.193 4.303 4.320 0.293 0.000 0.205 451 K C 1.710 178.420 176.600 0.183 0.000 1.046 451 K CA 1.520 57.873 56.287 0.111 0.000 0.933 451 K CB -0.067 32.450 32.500 0.029 0.000 0.728 451 K HN 0.451 nan 8.250 nan 0.000 0.454 452 K N 1.396 121.889 120.400 0.154 0.000 2.152 452 K HA -0.075 4.421 4.320 0.293 0.000 0.206 452 K C 1.910 178.600 176.600 0.150 0.000 1.048 452 K CA 1.133 57.499 56.287 0.133 0.000 0.933 452 K CB -0.140 32.422 32.500 0.104 0.000 0.721 452 K HN 0.235 nan 8.250 nan 0.000 0.447 453 L N 1.025 122.357 121.223 0.181 0.000 2.265 453 L HA -0.180 4.336 4.340 0.293 0.000 0.215 453 L C 1.599 178.552 176.870 0.138 0.000 1.117 453 L CA 0.586 55.498 54.840 0.121 0.000 0.782 453 L CB -0.599 41.498 42.059 0.064 0.000 0.914 453 L HN 0.215 nan 8.230 nan 0.000 0.441 454 N N 0.412 119.244 118.700 0.219 0.000 2.289 454 N HA -0.144 4.772 4.740 0.293 0.000 0.184 454 N C 1.349 176.952 175.510 0.155 0.000 1.016 454 N CA 0.953 54.129 53.050 0.210 0.000 0.872 454 N CB -0.350 38.288 38.487 0.252 0.000 0.973 454 N HN 0.374 nan 8.380 nan 0.000 0.433 455 N N -0.218 118.570 118.700 0.147 0.000 2.461 455 N HA -0.073 4.843 4.740 0.293 0.000 0.188 455 N C 1.226 176.814 175.510 0.130 0.000 1.134 455 N CA -0.014 53.106 53.050 0.117 0.000 0.878 455 N CB -0.225 38.319 38.487 0.096 0.000 0.972 455 N HN 0.351 nan 8.380 nan 0.000 0.456 456 Y N 1.273 121.587 120.300 0.023 0.000 2.165 456 Y HA -0.040 4.687 4.550 0.294 0.000 0.286 456 Y C 0.715 176.624 175.900 0.015 0.000 1.155 456 Y CA 1.071 59.181 58.100 0.017 0.000 1.164 456 Y CB 0.080 38.543 38.460 0.005 0.000 0.978 456 Y HN 0.033 nan 8.280 nan 0.000 0.513 457 A N -1.635 121.183 122.820 -0.004 0.000 2.609 457 A HA 0.510 5.006 4.320 0.293 0.000 0.291 457 A C 0.622 178.198 177.584 -0.014 0.000 1.096 457 A CA -0.059 51.918 52.037 -0.100 0.000 0.684 457 A CB 0.278 19.209 19.000 -0.115 0.000 1.282 457 A HN 0.212 nan 8.150 nan 0.000 0.412 458 S N -0.552 115.129 115.700 -0.032 0.000 2.483 458 S HA 0.030 4.676 4.470 0.293 0.000 0.221 458 S C 0.481 175.080 174.600 -0.001 0.000 1.030 458 S CA 1.028 59.225 58.200 -0.005 0.000 0.925 458 S CB -0.161 63.031 63.200 -0.014 0.000 0.795 458 S HN 0.769 nan 8.310 nan 0.000 0.511 459 D N 0.967 121.354 120.400 -0.021 0.000 2.358 459 D HA 0.262 5.078 4.640 0.293 0.000 0.224 459 D C -0.093 176.195 176.300 -0.019 0.000 1.123 459 D CA -0.380 53.606 54.000 -0.022 0.000 0.833 459 D CB -0.400 40.375 40.800 -0.041 0.000 0.946 459 D HN 0.118 nan 8.370 nan 0.000 0.505 460 D N 0.040 120.441 120.400 0.001 0.000 2.380 460 D HA 0.429 5.245 4.640 0.293 0.000 0.254 460 D C 1.162 177.456 176.300 -0.010 0.000 1.288 460 D CA 0.084 54.089 54.000 0.008 0.000 1.008 460 D CB 1.191 42.022 40.800 0.051 0.000 1.099 460 D HN 0.060 nan 8.370 nan 0.000 0.537 461 A N 0.039 122.833 122.820 -0.044 0.000 1.887 461 A HA 0.160 4.656 4.320 0.293 0.000 0.210 461 A C 0.895 178.513 177.584 0.058 0.000 1.221 461 A CA 0.151 52.146 52.037 -0.071 0.000 0.635 461 A CB -0.494 18.395 19.000 -0.184 0.000 0.881 461 A HN 0.495 nan 8.150 nan 0.000 0.456 462 L N 0.589 121.799 121.223 -0.021 0.000 2.530 462 L HA 0.370 4.886 4.340 0.293 0.000 0.273 462 L C 1.336 178.309 176.870 0.171 0.000 1.141 462 L CA 0.754 55.574 54.840 -0.033 0.000 0.905 462 L CB -0.116 41.685 42.059 -0.431 0.000 1.202 462 L HN 0.683 nan 8.230 nan 0.000 0.473 463 G N 1.801 110.800 108.800 0.330 0.000 2.201 463 G HA2 -0.261 3.875 3.960 0.293 0.000 0.212 463 G HA3 -0.261 3.875 3.960 0.293 0.000 0.212 463 G C 0.368 175.386 174.900 0.197 0.000 0.994 463 G CA 0.140 45.394 45.100 0.257 0.000 0.644 463 G HN 0.698 nan 8.290 nan 0.000 0.508 464 S N -0.078 115.743 115.700 0.201 0.000 2.617 464 S HA 0.416 5.062 4.470 0.293 0.000 0.255 464 S C 0.106 174.807 174.600 0.168 0.000 1.318 464 S CA 0.190 58.477 58.200 0.145 0.000 0.978 464 S CB 1.172 64.436 63.200 0.106 0.000 0.961 464 S HN 0.306 nan 8.310 nan 0.000 0.582 465 D N 0.379 120.853 120.400 0.124 0.000 2.363 465 D HA 0.289 5.105 4.640 0.293 0.000 0.263 465 D C 1.209 177.605 176.300 0.160 0.000 1.258 465 D CA 1.509 55.582 54.000 0.122 0.000 0.907 465 D CB -0.008 40.843 40.800 0.085 0.000 1.107 465 D HN 1.060 nan 8.370 nan 0.000 0.495 466 G N 3.588 112.495 108.800 0.178 0.000 2.132 466 G HA2 -0.283 3.853 3.960 0.293 0.000 0.234 466 G HA3 -0.283 3.853 3.960 0.293 0.000 0.234 466 G C 0.138 175.243 174.900 0.341 0.000 0.989 466 G CA -0.027 45.199 45.100 0.211 0.000 0.676 466 G HN 0.519 nan 8.290 nan 0.000 0.522 467 F N 1.637 121.683 119.950 0.160 0.000 2.514 467 F HA 0.316 5.018 4.527 0.292 0.000 0.374 467 F C 0.676 176.702 175.800 0.376 0.000 1.532 467 F CA -0.280 57.873 58.000 0.255 0.000 1.082 467 F CB -0.043 39.079 39.000 0.204 0.000 1.610 467 F HN 0.199 nan 8.300 nan 0.000 0.531 468 N N -1.662 117.162 118.700 0.207 0.000 2.166 468 N HA 0.108 5.024 4.740 0.293 0.000 0.222 468 N C 0.392 175.861 175.510 -0.069 0.000 1.282 468 N CA -0.059 53.113 53.050 0.204 0.000 0.890 468 N CB 0.362 38.956 38.487 0.179 0.000 1.114 468 N HN 0.053 nan 8.380 nan 0.000 0.494 469 S N 0.421 116.016 115.700 -0.175 0.000 2.632 469 S HA 0.337 4.982 4.470 0.293 0.000 0.254 469 S C 1.464 175.731 174.600 -0.555 0.000 1.291 469 S CA -0.042 58.003 58.200 -0.258 0.000 0.974 469 S CB 0.558 63.667 63.200 -0.151 0.000 1.016 469 S HN 0.414 nan 8.310 nan 0.000 0.579 470 G N 0.227 108.767 108.800 -0.433 0.000 2.622 470 G HA2 0.310 4.446 3.960 0.293 0.000 0.206 470 G HA3 0.310 4.446 3.960 0.293 0.000 0.206 470 G C 0.575 175.048 174.900 -0.712 0.000 1.458 470 G CA 0.249 45.026 45.100 -0.539 0.000 0.919 470 G HN 0.864 nan 8.290 nan 0.000 0.508 471 G N 0.141 108.667 108.800 -0.456 0.000 2.365 471 G HA2 0.457 4.593 3.960 0.293 0.000 0.249 471 G HA3 0.457 4.593 3.960 0.293 0.000 0.249 471 G C -0.615 173.999 174.900 -0.477 0.000 1.288 471 G CA -0.106 44.528 45.100 -0.778 0.000 0.887 471 G HN 0.249 nan 8.290 nan 0.000 0.524 472 E N 1.701 121.496 120.200 -0.675 0.000 2.216 472 E HA 0.196 4.722 4.350 0.293 0.000 0.260 472 E C -1.076 175.435 176.600 -0.148 0.000 0.880 472 E CA -0.415 55.834 56.400 -0.250 0.000 0.765 472 E CB 1.632 31.136 29.700 -0.327 0.000 1.174 472 E HN 0.527 nan 8.360 nan 0.000 0.417 473 W N 1.695 123.048 121.300 0.087 0.000 2.449 473 W HA 0.415 5.251 4.660 0.294 0.000 0.331 473 W C 0.598 177.119 176.519 0.002 0.000 1.119 473 W CA -0.226 57.157 57.345 0.062 0.000 1.240 473 W CB 1.393 30.938 29.460 0.141 0.000 1.251 473 W HN 0.331 nan 8.180 nan 0.000 0.576 474 S N 1.261 116.951 115.700 -0.016 0.000 2.588 474 S HA 0.862 5.508 4.470 0.293 0.000 0.275 474 S C -1.361 173.050 174.600 -0.315 0.000 1.130 474 S CA -0.916 57.298 58.200 0.024 0.000 0.855 474 S CB 1.664 64.985 63.200 0.201 0.000 1.116 474 S HN 0.251 nan 8.310 nan 0.000 0.472 475 F N -0.437 119.734 119.950 0.369 0.000 2.626 475 F HA 0.953 5.657 4.527 0.294 0.000 0.311 475 F C 0.725 176.623 175.800 0.163 0.000 1.088 475 F CA 0.022 58.196 58.000 0.290 0.000 0.949 475 F CB 2.184 41.314 39.000 0.216 0.000 1.322 475 F HN 1.216 nan 8.300 nan 0.000 0.461 476 G N -0.181 108.621 108.800 0.003 0.000 2.315 476 G HA2 0.518 4.654 3.960 0.293 0.000 0.294 476 G HA3 0.518 4.654 3.960 0.293 0.000 0.294 476 G C -2.522 171.896 174.900 -0.803 0.000 1.300 476 G CA -0.667 44.280 45.100 -0.256 0.000 0.843 476 G HN 0.694 nan 8.290 nan 0.000 0.527 477 V N -0.049 119.560 119.914 -0.508 0.000 3.007 477 V HA 0.893 5.188 4.120 0.293 0.000 0.311 477 V C -0.337 175.639 176.094 -0.196 0.000 1.120 477 V CA -0.508 61.474 62.300 -0.528 0.000 0.980 477 V CB 1.648 33.200 31.823 -0.453 0.000 1.033 477 V HN 1.447 nan 8.190 nan 0.000 0.429 478 Q N 2.666 122.399 119.800 -0.112 0.000 2.578 478 Q HA 0.785 5.301 4.340 0.293 0.000 0.284 478 Q C -1.418 174.577 176.000 -0.009 0.000 0.960 478 Q CA -1.059 54.764 55.803 0.033 0.000 0.809 478 Q CB 2.260 31.127 28.738 0.215 0.000 1.462 478 Q HN 0.842 nan 8.270 nan 0.000 0.392 479 M N -0.291 119.311 119.600 0.004 0.000 2.664 479 M HA 0.756 5.412 4.480 0.293 0.000 0.314 479 M C -1.153 175.154 176.300 0.012 0.000 1.200 479 M CA -0.289 55.007 55.300 -0.006 0.000 0.916 479 M CB 2.305 34.892 32.600 -0.021 0.000 1.717 479 M HN 0.737 nan 8.290 nan 0.000 0.470 480 E N 0.568 120.759 120.200 -0.016 0.000 2.321 480 E HA 0.680 5.205 4.350 0.293 0.000 0.281 480 E C -1.785 174.739 176.600 -0.126 0.000 0.910 480 E CA -0.416 55.953 56.400 -0.053 0.000 0.770 480 E CB 1.762 31.493 29.700 0.053 0.000 1.225 480 E HN 1.027 nan 8.360 nan 0.000 0.417 481 T N 0.087 114.542 114.554 -0.166 0.000 2.754 481 T HA 0.805 5.331 4.350 0.293 0.000 0.296 481 T C -1.421 173.319 174.700 0.066 0.000 1.205 481 T CA -0.948 61.074 62.100 -0.130 0.000 1.009 481 T CB 0.972 69.876 68.868 0.061 0.000 1.368 481 T HN 0.629 nan 8.240 nan 0.000 0.509 482 W N 0.240 121.556 121.300 0.026 0.000 3.645 482 W HA 0.703 5.534 4.660 0.284 0.000 0.285 482 W C -2.345 174.167 176.519 -0.012 0.000 1.266 482 W CA -1.852 55.407 57.345 -0.143 0.000 1.212 482 W CB 0.008 29.449 29.460 -0.032 0.000 1.306 482 W HN 0.930 nan 8.180 nan 0.000 0.552 483 F N 0.000 120.096 119.950 0.244 0.000 2.286 483 F HA 0.000 4.703 4.527 0.293 0.000 0.279 483 F CA 0.000 58.087 58.000 0.144 0.000 1.383 483 F CB 0.000 39.034 39.000 0.056 0.000 1.145 483 F HN 0.000 nan 8.300 nan 0.000 0.574