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 2evx_1_A DATA FIRST_RESID 26 DATA SEQUENCE AcRLENLRAQ DPVRRAEAEA GFTEVWDQDN DEFQcAGVNM IRHTIRPKGL DATA SEQUENCE LLPGFSNAPK LIFVAQGFGI RGIAIPGcAE TYQTDLRXXX XXXXXFKDQH DATA SEQUENCE QKIRPFREGD LLVVPAGVSH WMYNRGQSDL VLIVFADTRN VANQIDPYLR DATA SEQUENCE KFYLAGRPEQ VERGVXXXXX XXXXXXXXEK SGNIFSGFAD EFLEEAFQID DATA SEQUENCE GGLVRKLKGE DDERDRIVQV DEDFEVLLXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXETIcTLR LKQNIGRSER ADVFNPRGGR ISTANYHTLP ILRQVRLSAE DATA SEQUENCE RGVLYSNAMV APHYTVNSHS VMYATRGNAR VQVVDNFGQS VFDGEVREGQ DATA SEQUENCE VLMIPQNFVV IKRASDRGFE WIAFKTNDNA ITNLLAGRVS QMRMLPLGVL DATA SEQUENCE SNMYRISREE AQRLKYGQQE MRVLSPGR 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 26 A HA 0.000 nan 4.320 nan 0.000 0.244 26 A C 0.000 177.618 177.584 0.057 0.000 1.274 26 A CA 0.000 52.070 52.037 0.056 0.000 0.836 26 A CB 0.000 19.030 19.000 0.050 0.000 0.831 27 c N 2.703 121.345 118.600 0.069 0.000 2.307 27 c HA 0.514 5.085 4.570 0.001 0.000 0.340 27 c C 0.902 175.042 174.090 0.083 0.000 1.275 27 c CA -0.358 56.010 56.329 0.065 0.000 1.811 27 c CB 0.265 42.812 42.510 0.061 0.000 2.372 27 c HN 0.735 nan 8.230 nan 0.000 0.531 28 R N 3.920 124.461 120.500 0.068 0.000 2.408 28 R HA 0.239 4.580 4.340 0.001 0.000 0.308 28 R C -0.621 175.735 176.300 0.093 0.000 1.210 28 R CA -0.289 55.859 56.100 0.081 0.000 1.115 28 R CB 0.256 30.591 30.300 0.057 0.000 1.127 28 R HN 0.531 nan 8.270 nan 0.000 0.523 29 L N 2.788 124.102 121.223 0.151 0.000 3.154 29 L HA 0.211 4.552 4.340 0.001 0.000 0.266 29 L C 1.000 178.038 176.870 0.281 0.000 1.300 29 L CA 0.393 55.351 54.840 0.197 0.000 1.028 29 L CB -0.045 42.152 42.059 0.230 0.000 1.412 29 L HN 0.478 nan 8.230 nan 0.000 0.564 30 E N -0.049 120.267 120.200 0.195 0.000 2.415 30 E HA 0.046 4.396 4.350 0.001 0.000 0.197 30 E C 0.073 176.761 176.600 0.147 0.000 1.007 30 E CA 0.199 56.704 56.400 0.175 0.000 0.890 30 E CB 0.563 30.334 29.700 0.120 0.000 0.891 30 E HN 0.273 nan 8.360 nan 0.000 0.496 31 N N 0.868 119.649 118.700 0.135 0.000 2.752 31 N HA 0.200 4.941 4.740 0.001 0.000 0.260 31 N C -1.018 174.581 175.510 0.149 0.000 1.562 31 N CA -0.104 53.022 53.050 0.128 0.000 0.788 31 N CB 0.630 39.166 38.487 0.081 0.000 1.192 31 N HN -0.077 nan 8.380 nan 0.000 0.503 32 L N 0.682 122.028 121.223 0.207 0.000 2.482 32 L HA 0.349 4.690 4.340 0.001 0.000 0.273 32 L C 0.656 177.688 176.870 0.271 0.000 1.228 32 L CA 0.036 54.974 54.840 0.164 0.000 0.827 32 L CB 0.447 42.577 42.059 0.118 0.000 1.099 32 L HN 0.219 nan 8.230 nan 0.000 0.494 33 R N 0.583 121.151 120.500 0.113 0.000 2.668 33 R HA 0.529 4.870 4.340 0.001 0.000 0.272 33 R C -1.114 175.209 176.300 0.038 0.000 1.019 33 R CA -0.928 55.287 56.100 0.192 0.000 0.894 33 R CB 1.844 32.213 30.300 0.115 0.000 1.228 33 R HN 0.682 nan 8.270 nan 0.000 0.460 34 A N 2.777 125.688 122.820 0.153 0.000 2.666 34 A HA 0.130 4.451 4.320 0.001 0.000 0.301 34 A C -0.018 177.647 177.584 0.135 0.000 1.470 34 A CA -0.114 51.971 52.037 0.081 0.000 1.159 34 A CB -0.085 19.020 19.000 0.175 0.000 1.116 34 A HN 0.596 nan 8.150 nan 0.000 0.548 35 Q N 1.411 121.302 119.800 0.151 0.000 2.352 35 Q HA 0.208 4.549 4.340 0.001 0.000 0.260 35 Q C -0.695 175.561 176.000 0.428 0.000 0.976 35 Q CA 0.123 56.071 55.803 0.242 0.000 0.881 35 Q CB 0.952 29.849 28.738 0.265 0.000 1.235 35 Q HN 0.655 nan 8.270 nan 0.000 0.419 36 D N 2.014 122.505 120.400 0.153 0.000 2.350 36 D HA 0.363 5.004 4.640 0.001 0.000 0.238 36 D C -2.390 173.513 176.300 -0.662 0.000 0.989 36 D CA -1.672 52.293 54.000 -0.058 0.000 0.921 36 D CB 1.575 42.344 40.800 -0.051 0.000 1.297 36 D HN 0.207 nan 8.370 nan 0.000 0.490 37 P HA -0.038 nan 4.420 nan 0.000 0.269 37 P C 0.481 177.454 177.300 -0.546 0.000 1.211 37 P CA -0.043 62.265 63.100 -1.321 0.000 0.781 37 P CB 0.934 32.029 31.700 -1.008 0.000 0.877 38 V N 1.568 121.277 119.914 -0.342 0.000 3.570 38 V HA 0.177 4.298 4.120 0.001 0.000 0.257 38 V C 0.702 176.734 176.094 -0.104 0.000 1.272 38 V CA 0.974 63.176 62.300 -0.164 0.000 1.079 38 V CB -0.002 31.770 31.823 -0.084 0.000 0.829 38 V HN 0.475 nan 8.190 nan 0.000 0.454 39 R N -0.275 120.170 120.500 -0.091 0.000 2.771 39 R HA 0.693 5.034 4.340 0.001 0.000 0.274 39 R C -0.888 175.397 176.300 -0.025 0.000 0.987 39 R CA -0.682 55.392 56.100 -0.042 0.000 0.908 39 R CB 2.448 32.744 30.300 -0.007 0.000 1.213 39 R HN 0.063 nan 8.270 nan 0.000 0.468 40 R N 0.350 120.846 120.500 -0.006 0.000 2.744 40 R HA 0.712 5.052 4.340 0.001 0.000 0.279 40 R C -1.459 174.869 176.300 0.046 0.000 0.977 40 R CA -0.916 55.202 56.100 0.030 0.000 0.906 40 R CB 2.496 32.788 30.300 -0.014 0.000 1.197 40 R HN 0.677 nan 8.270 nan 0.000 0.463 41 A N 2.429 125.309 122.820 0.100 0.000 2.411 41 A HA 0.309 4.630 4.320 0.001 0.000 0.285 41 A C -0.808 176.854 177.584 0.129 0.000 1.129 41 A CA -0.739 51.350 52.037 0.086 0.000 0.736 41 A CB 1.194 20.242 19.000 0.080 0.000 1.186 41 A HN 0.528 nan 8.150 nan 0.000 0.445 42 E N 1.068 121.318 120.200 0.084 0.000 2.313 42 E HA 0.553 4.904 4.350 0.001 0.000 0.276 42 E C 0.159 176.805 176.600 0.077 0.000 1.031 42 E CA 0.197 56.659 56.400 0.103 0.000 0.857 42 E CB 1.908 31.631 29.700 0.039 0.000 1.040 42 E HN 0.779 nan 8.360 nan 0.000 0.408 43 A N 2.329 125.207 122.820 0.097 0.000 2.387 43 A HA 0.266 4.587 4.320 0.001 0.000 0.298 43 A C 1.051 178.659 177.584 0.040 0.000 1.165 43 A CA -0.484 51.578 52.037 0.043 0.000 0.814 43 A CB 1.153 20.168 19.000 0.024 0.000 1.357 43 A HN 0.718 nan 8.150 nan 0.000 0.443 44 E N -0.154 120.053 120.200 0.011 0.000 2.038 44 E HA -0.157 4.194 4.350 0.001 0.000 0.195 44 E C 1.357 177.967 176.600 0.017 0.000 1.000 44 E CA 1.636 58.040 56.400 0.008 0.000 0.803 44 E CB -0.122 29.572 29.700 -0.010 0.000 0.750 44 E HN 0.709 nan 8.360 nan 0.000 0.448 45 A N 0.050 122.874 122.820 0.008 0.000 2.415 45 A HA 0.479 4.800 4.320 0.001 0.000 0.248 45 A C 0.481 178.070 177.584 0.009 0.000 1.299 45 A CA 0.582 52.621 52.037 0.003 0.000 0.899 45 A CB 0.299 19.289 19.000 -0.017 0.000 0.997 45 A HN 0.409 nan 8.150 nan 0.000 0.506 46 G N -1.056 107.776 108.800 0.053 0.000 2.351 46 G HA2 0.447 4.407 3.960 0.001 0.000 0.279 46 G HA3 0.447 4.407 3.960 0.001 0.000 0.279 46 G C -0.825 174.184 174.900 0.181 0.000 1.297 46 G CA -0.193 44.944 45.100 0.060 0.000 0.886 46 G HN 0.923 nan 8.290 nan 0.000 0.493 47 F N -2.072 117.907 119.950 0.047 0.000 2.692 47 F HA 0.916 5.444 4.527 0.001 0.000 0.320 47 F C -0.400 175.481 175.800 0.134 0.000 1.123 47 F CA -1.128 56.911 58.000 0.064 0.000 0.961 47 F CB 1.735 40.762 39.000 0.045 0.000 1.383 47 F HN 0.524 nan 8.300 nan 0.000 0.483 48 T N 0.291 115.050 114.554 0.341 0.000 2.928 48 T HA 0.424 4.775 4.350 0.001 0.000 0.296 48 T C -1.278 173.567 174.700 0.241 0.000 1.000 48 T CA -0.720 61.559 62.100 0.299 0.000 0.989 48 T CB 1.724 70.793 68.868 0.334 0.000 1.005 48 T HN 0.627 nan 8.240 nan 0.000 0.442 49 E N 1.559 121.869 120.200 0.183 0.000 2.199 49 E HA 0.648 4.998 4.350 0.001 0.000 0.269 49 E C -0.638 176.023 176.600 0.101 0.000 0.899 49 E CA -1.071 55.392 56.400 0.105 0.000 0.772 49 E CB 2.271 32.012 29.700 0.068 0.000 1.155 49 E HN 0.493 nan 8.360 nan 0.000 0.408 50 V N -0.721 119.227 119.914 0.057 0.000 2.735 50 V HA 0.530 4.650 4.120 0.001 0.000 0.310 50 V C -0.447 175.737 176.094 0.151 0.000 1.061 50 V CA -0.966 61.448 62.300 0.190 0.000 0.913 50 V CB 1.391 33.302 31.823 0.147 0.000 1.005 50 V HN 0.686 nan 8.190 nan 0.000 0.428 51 W N 0.817 122.191 121.300 0.122 0.000 2.141 51 W HA 0.329 4.990 4.660 0.001 0.000 0.354 51 W C 0.053 176.665 176.519 0.156 0.000 1.297 51 W CA 0.125 57.577 57.345 0.179 0.000 1.380 51 W CB 1.232 30.914 29.460 0.370 0.000 1.168 51 W HN 0.778 nan 8.180 nan 0.000 0.639 52 D N 1.760 122.336 120.400 0.295 0.000 2.359 52 D HA -0.074 4.567 4.640 0.001 0.000 0.250 52 D C 1.484 177.931 176.300 0.245 0.000 1.264 52 D CA 0.125 54.222 54.000 0.162 0.000 0.911 52 D CB 0.801 41.621 40.800 0.035 0.000 1.056 52 D HN 0.152 nan 8.370 nan 0.000 0.499 53 Q N 2.572 122.522 119.800 0.251 0.000 2.364 53 Q HA -0.147 4.194 4.340 0.001 0.000 0.207 53 Q C -0.006 176.102 176.000 0.180 0.000 0.970 53 Q CA 1.097 57.060 55.803 0.268 0.000 0.888 53 Q CB 0.089 28.929 28.738 0.171 0.000 0.951 53 Q HN 0.491 nan 8.270 nan 0.000 0.469 54 D N 1.169 121.631 120.400 0.103 0.000 2.340 54 D HA -0.012 4.629 4.640 0.001 0.000 0.220 54 D C 0.064 176.381 176.300 0.028 0.000 1.039 54 D CA -0.022 54.011 54.000 0.055 0.000 0.866 54 D CB -0.277 40.538 40.800 0.025 0.000 0.913 54 D HN 0.428 nan 8.370 nan 0.000 0.523 55 N N 1.548 120.248 118.700 -0.001 0.000 2.412 55 N HA -0.106 4.635 4.740 0.001 0.000 0.254 55 N C 0.772 176.262 175.510 -0.033 0.000 1.232 55 N CA 0.160 53.150 53.050 -0.100 0.000 0.880 55 N CB 0.891 39.146 38.487 -0.387 0.000 1.076 55 N HN -0.261 nan 8.380 nan 0.000 0.458 56 D N 2.438 122.819 120.400 -0.031 0.000 2.104 56 D HA -0.171 4.470 4.640 0.001 0.000 0.194 56 D C 1.189 177.496 176.300 0.012 0.000 0.994 56 D CA 1.601 55.603 54.000 0.003 0.000 0.830 56 D CB -0.123 40.683 40.800 0.010 0.000 0.959 56 D HN 0.692 nan 8.370 nan 0.000 0.452 57 E N 0.289 120.483 120.200 -0.010 0.000 2.023 57 E HA -0.131 4.220 4.350 0.001 0.000 0.196 57 E C 2.224 178.906 176.600 0.135 0.000 1.003 57 E CA 0.763 57.173 56.400 0.017 0.000 0.809 57 E CB -0.621 29.090 29.700 0.017 0.000 0.755 57 E HN 0.385 nan 8.360 nan 0.000 0.449 58 F N 0.975 120.891 119.950 -0.057 0.000 2.091 58 F HA -0.311 4.217 4.527 0.001 0.000 0.299 58 F C 2.762 178.526 175.800 -0.061 0.000 1.103 58 F CA 1.006 58.974 58.000 -0.053 0.000 1.228 58 F CB -0.207 38.790 39.000 -0.005 0.000 0.984 58 F HN 0.117 nan 8.300 nan 0.000 0.477 59 Q N -0.363 119.543 119.800 0.176 0.000 2.096 59 Q HA -0.292 4.049 4.340 0.001 0.000 0.204 59 Q C 2.428 178.449 176.000 0.035 0.000 0.982 59 Q CA 1.893 57.747 55.803 0.086 0.000 0.850 59 Q CB -0.441 28.335 28.738 0.065 0.000 0.901 59 Q HN 0.546 nan 8.270 nan 0.000 0.422 60 c N -0.403 118.202 118.600 0.009 0.000 2.429 60 c HA -0.032 4.539 4.570 0.001 0.000 0.277 60 c C 2.572 176.613 174.090 -0.083 0.000 1.262 60 c CA 1.240 57.551 56.329 -0.030 0.000 1.733 60 c CB -0.918 41.559 42.510 -0.055 0.000 2.010 60 c HN 0.597 nan 8.230 nan 0.000 0.483 61 A N -1.144 121.564 122.820 -0.186 0.000 2.178 61 A HA 0.436 4.757 4.320 0.001 0.000 0.211 61 A C 1.651 179.199 177.584 -0.061 0.000 1.157 61 A CA 1.320 53.194 52.037 -0.272 0.000 0.780 61 A CB -0.851 17.806 19.000 -0.573 0.000 0.828 61 A HN 1.677 nan 8.150 nan 0.000 0.476 62 G N -0.310 108.460 108.800 -0.050 0.000 2.289 62 G HA2 -0.009 3.951 3.960 0.001 0.000 0.280 62 G HA3 -0.009 3.951 3.960 0.001 0.000 0.280 62 G C 0.137 174.946 174.900 -0.151 0.000 1.089 62 G CA 0.553 45.620 45.100 -0.054 0.000 0.939 62 G HN 1.783 nan 8.290 nan 0.000 0.499 63 V N -2.895 116.884 119.914 -0.225 0.000 2.919 63 V HA 0.968 5.088 4.120 0.001 0.000 0.316 63 V C -0.198 175.581 176.094 -0.526 0.000 1.077 63 V CA -1.608 60.405 62.300 -0.479 0.000 0.977 63 V CB 2.311 33.836 31.823 -0.498 0.000 1.039 63 V HN 0.297 nan 8.190 nan 0.000 0.441 64 N N 2.654 120.982 118.700 -0.621 0.000 2.242 64 N HA 0.773 5.514 4.740 0.001 0.000 0.292 64 N C -1.180 174.062 175.510 -0.446 0.000 1.125 64 N CA -0.644 52.174 53.050 -0.387 0.000 0.783 64 N CB 1.900 40.252 38.487 -0.225 0.000 1.558 64 N HN 0.679 nan 8.380 nan 0.000 0.472 65 M N 1.948 121.420 119.600 -0.214 0.000 2.395 65 M HA 0.575 5.056 4.480 0.001 0.000 0.307 65 M C -1.222 175.122 176.300 0.073 0.000 1.091 65 M CA -0.323 54.818 55.300 -0.266 0.000 0.919 65 M CB 1.311 33.519 32.600 -0.653 0.000 1.662 65 M HN 0.537 nan 8.290 nan 0.000 0.440 66 I N 1.709 122.249 120.570 -0.051 0.000 2.722 66 I HA 0.530 4.701 4.170 0.001 0.000 0.295 66 I C -0.509 175.590 176.117 -0.031 0.000 1.161 66 I CA -0.714 60.612 61.300 0.042 0.000 1.032 66 I CB 3.120 41.026 38.000 -0.157 0.000 1.244 66 I HN 0.604 nan 8.210 nan 0.000 0.421 67 R N 4.063 124.610 120.500 0.078 0.000 2.502 67 R HA 0.524 4.865 4.340 0.001 0.000 0.300 67 R C -1.507 174.776 176.300 -0.029 0.000 0.984 67 R CA -0.621 55.511 56.100 0.052 0.000 0.882 67 R CB 1.110 31.583 30.300 0.287 0.000 1.180 67 R HN 0.684 nan 8.270 nan 0.000 0.444 68 H N 1.394 120.465 119.070 0.002 0.000 2.458 68 H HA 0.325 4.882 4.556 0.001 0.000 0.330 68 H C -0.648 174.562 175.328 -0.196 0.000 1.111 68 H CA -0.693 55.305 56.048 -0.084 0.000 1.245 68 H CB 2.258 31.995 29.762 -0.041 0.000 1.456 68 H HN 0.389 nan 8.280 nan 0.000 0.488 69 T N 4.884 119.259 114.554 -0.299 0.000 2.934 69 T HA 0.324 4.675 4.350 0.001 0.000 0.328 69 T C -0.105 174.354 174.700 -0.402 0.000 1.068 69 T CA -0.557 61.252 62.100 -0.485 0.000 1.018 69 T CB -0.020 68.180 68.868 -1.113 0.000 1.009 69 T HN 0.367 nan 8.240 nan 0.000 0.471 70 I N 3.660 124.109 120.570 -0.202 0.000 2.339 70 I HA 0.417 4.588 4.170 0.001 0.000 0.290 70 I C 0.778 176.819 176.117 -0.126 0.000 0.994 70 I CA -0.920 60.293 61.300 -0.145 0.000 1.191 70 I CB 1.249 39.190 38.000 -0.099 0.000 1.343 70 I HN 0.301 nan 8.210 nan 0.000 0.458 71 R N 5.744 126.189 120.500 -0.092 0.000 2.726 71 R HA 0.304 4.645 4.340 0.001 0.000 0.272 71 R C -2.372 173.867 176.300 -0.102 0.000 1.097 71 R CA -1.481 54.577 56.100 -0.070 0.000 1.198 71 R CB -0.154 30.134 30.300 -0.019 0.000 1.114 71 R HN 0.270 nan 8.270 nan 0.000 0.550 72 P HA -0.105 nan 4.420 nan 0.000 0.264 72 P C -0.572 176.672 177.300 -0.094 0.000 1.183 72 P CA 0.638 63.665 63.100 -0.122 0.000 0.763 72 P CB 0.427 32.081 31.700 -0.078 0.000 0.807 73 K N -0.332 119.989 120.400 -0.131 0.000 3.391 73 K HA -0.128 4.193 4.320 0.001 0.000 0.307 73 K C 0.548 177.184 176.600 0.060 0.000 1.304 73 K CA 1.245 57.551 56.287 0.031 0.000 0.904 73 K CB -2.214 30.311 32.500 0.043 0.000 1.293 73 K HN 0.773 nan 8.250 nan 0.000 0.470 74 G N 0.791 109.553 108.800 -0.063 0.000 2.377 74 G HA2 0.548 4.509 3.960 0.001 0.000 0.299 74 G HA3 0.548 4.509 3.960 0.001 0.000 0.299 74 G C -0.768 174.202 174.900 0.116 0.000 1.150 74 G CA -0.600 44.498 45.100 -0.003 0.000 0.847 74 G HN 0.073 nan 8.290 nan 0.000 0.501 75 L N 2.631 123.919 121.223 0.108 0.000 2.349 75 L HA 0.571 4.912 4.340 0.001 0.000 0.278 75 L C -0.793 176.134 176.870 0.095 0.000 0.996 75 L CA -1.052 53.891 54.840 0.171 0.000 0.825 75 L CB 1.919 44.011 42.059 0.055 0.000 1.243 75 L HN 0.407 nan 8.230 nan 0.000 0.412 76 L N 6.393 127.696 121.223 0.133 0.000 2.282 76 L HA 0.428 4.769 4.340 0.001 0.000 0.287 76 L C -0.510 176.451 176.870 0.153 0.000 1.075 76 L CA 0.009 54.884 54.840 0.058 0.000 0.839 76 L CB 0.025 42.055 42.059 -0.048 0.000 1.219 76 L HN 0.595 nan 8.230 nan 0.000 0.434 77 L N 6.696 128.006 121.223 0.146 0.000 2.558 77 L HA 0.057 4.397 4.340 0.001 0.000 0.301 77 L C -1.712 175.324 176.870 0.278 0.000 1.267 77 L CA -0.993 53.966 54.840 0.199 0.000 0.854 77 L CB -0.272 41.904 42.059 0.195 0.000 1.103 77 L HN 0.542 nan 8.230 nan 0.000 0.522 78 P HA 0.238 nan 4.420 nan 0.000 0.280 78 P C -0.428 176.975 177.300 0.173 0.000 1.244 78 P CA -0.059 63.200 63.100 0.265 0.000 0.784 78 P CB 1.481 33.396 31.700 0.359 0.000 0.913 79 G N 2.320 111.139 108.800 0.032 0.000 2.677 79 G HA2 0.666 4.627 3.960 0.001 0.000 0.291 79 G HA3 0.666 4.627 3.960 0.001 0.000 0.291 79 G C -1.706 173.260 174.900 0.110 0.000 1.435 79 G CA -0.834 44.179 45.100 -0.144 0.000 0.826 79 G HN 0.443 nan 8.290 nan 0.000 0.491 80 F N -0.580 119.368 119.950 -0.003 0.000 2.593 80 F HA 0.907 5.435 4.527 0.001 0.000 0.320 80 F C -0.039 175.802 175.800 0.069 0.000 1.060 80 F CA -1.504 56.516 58.000 0.034 0.000 0.940 80 F CB 1.742 40.735 39.000 -0.013 0.000 1.268 80 F HN 0.438 nan 8.300 nan 0.000 0.475 81 S N -0.391 115.397 115.700 0.147 0.000 2.677 81 S HA 0.301 4.772 4.470 0.001 0.000 0.304 81 S C 0.228 174.882 174.600 0.090 0.000 1.108 81 S CA -0.712 57.539 58.200 0.085 0.000 0.944 81 S CB 1.587 64.793 63.200 0.011 0.000 1.127 81 S HN 0.834 nan 8.310 nan 0.000 0.511 82 N N -0.210 118.527 118.700 0.062 0.000 2.398 82 N HA 0.317 5.057 4.740 0.001 0.000 0.188 82 N C -0.016 175.480 175.510 -0.024 0.000 1.122 82 N CA -0.120 52.943 53.050 0.021 0.000 0.866 82 N CB 0.235 38.734 38.487 0.020 0.000 0.970 82 N HN 0.525 nan 8.380 nan 0.000 0.462 83 A N 0.659 123.455 122.820 -0.041 0.000 2.475 83 A HA 0.595 4.915 4.320 0.001 0.000 0.301 83 A C -2.837 174.698 177.584 -0.081 0.000 1.059 83 A CA -1.801 50.192 52.037 -0.074 0.000 0.710 83 A CB 1.271 20.203 19.000 -0.114 0.000 1.288 83 A HN -0.024 nan 8.150 nan 0.000 0.408 84 P HA 0.321 nan 4.420 nan 0.000 0.269 84 P C -0.778 176.461 177.300 -0.101 0.000 1.215 84 P CA 0.161 63.219 63.100 -0.070 0.000 0.780 84 P CB 0.465 32.141 31.700 -0.040 0.000 0.898 85 K N 1.355 121.703 120.400 -0.087 0.000 2.426 85 K HA 0.645 4.966 4.320 0.001 0.000 0.251 85 K C -1.374 175.221 176.600 -0.008 0.000 0.941 85 K CA -0.846 55.387 56.287 -0.090 0.000 0.808 85 K CB 1.660 34.086 32.500 -0.125 0.000 1.265 85 K HN 0.177 nan 8.250 nan 0.000 0.432 86 L N 2.863 124.130 121.223 0.073 0.000 2.386 86 L HA 0.569 4.910 4.340 0.001 0.000 0.271 86 L C -1.270 175.699 176.870 0.164 0.000 0.993 86 L CA -0.422 54.528 54.840 0.183 0.000 0.819 86 L CB 1.733 44.033 42.059 0.401 0.000 1.294 86 L HN 0.546 nan 8.230 nan 0.000 0.414 87 I N 3.636 124.300 120.570 0.156 0.000 2.447 87 I HA 0.304 4.475 4.170 0.001 0.000 0.287 87 I C -1.299 174.933 176.117 0.192 0.000 1.023 87 I CA -0.577 60.798 61.300 0.125 0.000 1.083 87 I CB 1.872 39.870 38.000 -0.003 0.000 1.245 87 I HN 0.389 nan 8.210 nan 0.000 0.434 88 F N 7.466 127.485 119.950 0.115 0.000 2.404 88 F HA 0.464 4.991 4.527 0.001 0.000 0.354 88 F C -0.214 175.588 175.800 0.004 0.000 1.122 88 F CA -0.670 57.366 58.000 0.059 0.000 1.080 88 F CB 1.190 40.246 39.000 0.093 0.000 1.131 88 F HN 0.055 nan 8.300 nan 0.000 0.471 89 V N 8.387 127.851 119.914 -0.749 0.000 2.370 89 V HA 0.219 4.340 4.120 0.001 0.000 0.257 89 V C 0.955 176.576 176.094 -0.789 0.000 1.064 89 V CA 0.597 62.567 62.300 -0.549 0.000 0.975 89 V CB 0.028 31.668 31.823 -0.305 0.000 1.067 89 V HN 1.011 nan 8.190 nan 0.000 0.485 90 A N 4.263 126.872 122.820 -0.352 0.000 2.021 90 A HA 0.122 4.443 4.320 0.001 0.000 0.216 90 A C 0.910 178.478 177.584 -0.027 0.000 1.163 90 A CA 0.626 52.617 52.037 -0.077 0.000 0.676 90 A CB 0.181 19.305 19.000 0.207 0.000 0.818 90 A HN 0.702 nan 8.150 nan 0.000 0.453 91 Q N -2.359 117.413 119.800 -0.047 0.000 2.386 91 Q HA 0.471 4.812 4.340 0.001 0.000 0.274 91 Q C -0.297 175.658 176.000 -0.075 0.000 1.011 91 Q CA 0.051 55.836 55.803 -0.030 0.000 0.867 91 Q CB 1.694 30.431 28.738 -0.003 0.000 1.409 91 Q HN 1.200 nan 8.270 nan 0.000 0.395 92 G N 1.315 110.041 108.800 -0.123 0.000 2.660 92 G HA2 -0.069 3.892 3.960 0.001 0.000 0.215 92 G HA3 -0.069 3.892 3.960 0.001 0.000 0.215 92 G C -1.329 173.448 174.900 -0.205 0.000 1.345 92 G CA -0.241 44.639 45.100 -0.366 0.000 0.877 92 G HN 0.999 nan 8.290 nan 0.000 0.549 93 F N -2.247 117.678 119.950 -0.043 0.000 2.665 93 F HA 0.878 5.406 4.527 0.001 0.000 0.308 93 F C 0.350 175.929 175.800 -0.368 0.000 1.112 93 F CA -0.270 57.639 58.000 -0.151 0.000 0.972 93 F CB 1.149 40.063 39.000 -0.142 0.000 1.295 93 F HN 1.748 nan 8.300 nan 0.000 0.440 94 G N 0.747 109.099 108.800 -0.747 0.000 2.634 94 G HA2 0.677 4.638 3.960 0.001 0.000 0.309 94 G HA3 0.677 4.638 3.960 0.001 0.000 0.309 94 G C -1.947 172.285 174.900 -1.114 0.000 1.299 94 G CA -0.646 43.987 45.100 -0.778 0.000 0.798 94 G HN 1.198 nan 8.290 nan 0.000 0.490 95 I N -1.657 118.679 120.570 -0.389 0.000 2.646 95 I HA 0.919 5.090 4.170 0.001 0.000 0.299 95 I C -0.462 175.667 176.117 0.020 0.000 1.036 95 I CA -1.330 59.882 61.300 -0.147 0.000 1.074 95 I CB 2.416 40.456 38.000 0.066 0.000 1.258 95 I HN 0.735 nan 8.210 nan 0.000 0.430 96 R N 3.151 123.585 120.500 -0.109 0.000 2.912 96 R HA 0.895 5.236 4.340 0.001 0.000 0.262 96 R C -0.543 175.202 176.300 -0.925 0.000 1.057 96 R CA -1.066 54.749 56.100 -0.476 0.000 0.981 96 R CB 1.539 31.804 30.300 -0.058 0.000 1.201 96 R HN 0.861 nan 8.270 nan 0.000 0.484 97 G N 0.763 108.733 108.800 -1.384 0.000 2.883 97 G HA2 0.504 4.465 3.960 0.001 0.000 0.285 97 G HA3 0.504 4.465 3.960 0.001 0.000 0.285 97 G C -1.601 173.082 174.900 -0.362 0.000 1.526 97 G CA -0.470 44.127 45.100 -0.837 0.000 1.062 97 G HN 0.486 nan 8.290 nan 0.000 0.550 98 I N 3.419 123.909 120.570 -0.134 0.000 2.464 98 I HA 0.612 4.782 4.170 0.001 0.000 0.277 98 I C 1.101 177.234 176.117 0.027 0.000 1.040 98 I CA -0.633 60.659 61.300 -0.013 0.000 1.153 98 I CB 1.054 39.038 38.000 -0.028 0.000 1.274 98 I HN 0.537 nan 8.210 nan 0.000 0.469 99 A N 7.110 129.973 122.820 0.070 0.000 1.885 99 A HA -0.017 4.304 4.320 0.001 0.000 0.215 99 A C 1.031 178.639 177.584 0.039 0.000 1.255 99 A CA 1.770 53.849 52.037 0.071 0.000 0.692 99 A CB -0.739 18.308 19.000 0.079 0.000 0.842 99 A HN 0.822 nan 8.150 nan 0.000 0.465 100 I N -1.975 118.603 120.570 0.014 0.000 7.624 100 I HA -0.121 4.050 4.170 0.001 0.000 0.126 100 I C -2.723 173.389 176.117 -0.009 0.000 1.843 100 I CA -0.577 60.720 61.300 -0.004 0.000 2.037 100 I CB -1.140 36.862 38.000 0.003 0.000 3.685 100 I HN 0.219 nan 8.210 nan 0.000 0.169 101 P HA 0.026 nan 4.420 nan 0.000 0.259 101 P C 1.055 178.340 177.300 -0.024 0.000 1.163 101 P CA 1.740 64.817 63.100 -0.039 0.000 0.760 101 P CB 0.460 32.125 31.700 -0.059 0.000 0.762 102 G N 2.091 110.879 108.800 -0.021 0.000 2.196 102 G HA2 -0.324 3.637 3.960 0.001 0.000 0.268 102 G HA3 -0.324 3.637 3.960 0.001 0.000 0.268 102 G C 0.285 175.183 174.900 -0.004 0.000 0.975 102 G CA 0.048 45.139 45.100 -0.015 0.000 0.648 102 G HN 0.649 nan 8.290 nan 0.000 0.538 103 c N 2.456 121.059 118.600 0.004 0.000 2.289 103 c HA 0.682 5.253 4.570 0.001 0.000 0.340 103 c C 1.428 175.535 174.090 0.029 0.000 1.152 103 c CA -0.506 55.833 56.329 0.016 0.000 1.650 103 c CB -0.823 41.701 42.510 0.024 0.000 2.203 103 c HN 0.995 nan 8.230 nan 0.000 0.511 104 A N 3.852 126.683 122.820 0.018 0.000 2.548 104 A HA 0.164 4.485 4.320 0.001 0.000 0.247 104 A C 0.888 178.498 177.584 0.043 0.000 1.067 104 A CA 0.716 52.764 52.037 0.018 0.000 0.757 104 A CB 0.117 19.114 19.000 -0.005 0.000 0.996 104 A HN 0.921 nan 8.150 nan 0.000 0.504 105 E N 1.175 121.421 120.200 0.077 0.000 2.744 105 E HA 0.036 4.387 4.350 0.001 0.000 0.210 105 E C -0.434 176.309 176.600 0.238 0.000 0.950 105 E CA -0.096 56.405 56.400 0.169 0.000 1.282 105 E CB 0.635 30.459 29.700 0.208 0.000 1.123 105 E HN 0.733 nan 8.360 nan 0.000 0.544 106 T N 1.058 115.672 114.554 0.101 0.000 2.923 106 T HA 0.004 4.354 4.350 0.001 0.000 0.304 106 T C -0.660 174.065 174.700 0.041 0.000 1.044 106 T CA 1.170 63.320 62.100 0.085 0.000 1.141 106 T CB 0.036 68.903 68.868 0.000 0.000 1.023 106 T HN 0.042 nan 8.240 nan 0.000 0.533 107 Y N 0.822 121.080 120.300 -0.070 0.000 2.513 107 Y HA 0.315 4.865 4.550 0.001 0.000 0.340 107 Y C 0.017 175.732 175.900 -0.308 0.000 1.055 107 Y CA -1.150 56.872 58.100 -0.129 0.000 1.020 107 Y CB 1.992 40.429 38.460 -0.038 0.000 1.301 107 Y HN 0.497 nan 8.280 nan 0.000 0.453 108 Q N 2.332 122.100 119.800 -0.053 0.000 2.314 108 Q HA 0.370 4.711 4.340 0.001 0.000 0.259 108 Q C -0.193 175.760 176.000 -0.080 0.000 0.951 108 Q CA -0.900 54.838 55.803 -0.109 0.000 0.909 108 Q CB 1.523 30.227 28.738 -0.058 0.000 1.236 108 Q HN 0.728 nan 8.270 nan 0.000 0.444 109 T N -0.481 114.001 114.554 -0.120 0.000 2.595 109 T HA -0.074 4.277 4.350 0.001 0.000 0.339 109 T C 0.729 175.448 174.700 0.032 0.000 1.059 109 T CA -0.523 61.584 62.100 0.011 0.000 1.035 109 T CB 0.589 69.493 68.868 0.060 0.000 1.003 109 T HN 0.451 nan 8.240 nan 0.000 0.540 110 D N 0.568 120.997 120.400 0.049 0.000 2.225 110 D HA -0.120 4.520 4.640 0.001 0.000 0.229 110 D C 1.926 178.244 176.300 0.029 0.000 1.096 110 D CA 1.322 55.345 54.000 0.038 0.000 0.964 110 D CB -0.419 40.403 40.800 0.036 0.000 1.336 110 D HN 0.492 nan 8.370 nan 0.000 0.511 111 L N 1.186 122.428 121.223 0.031 0.000 2.955 111 L HA -0.070 4.271 4.340 0.001 0.000 0.260 111 L C 1.137 178.025 176.870 0.031 0.000 1.146 111 L CA 0.411 55.270 54.840 0.031 0.000 0.905 111 L CB -0.775 41.307 42.059 0.038 0.000 1.136 111 L HN 0.162 nan 8.230 nan 0.000 0.438 122 K N 0.256 120.762 120.400 0.177 0.000 2.499 122 K HA 0.756 5.077 4.320 0.001 0.000 0.284 122 K C -2.319 174.319 176.600 0.062 0.000 1.039 122 K CA -0.844 55.489 56.287 0.076 0.000 0.873 122 K CB 2.794 35.298 32.500 0.006 0.000 1.545 122 K HN 0.440 nan 8.250 nan 0.000 0.402 123 D N -0.214 120.198 120.400 0.020 0.000 2.836 123 D HA 0.156 4.796 4.640 0.001 0.000 0.215 123 D C -1.721 174.541 176.300 -0.063 0.000 1.255 123 D CA -0.194 53.814 54.000 0.013 0.000 0.822 123 D CB 2.189 43.022 40.800 0.055 0.000 1.656 123 D HN 0.475 nan 8.370 nan 0.000 0.511 124 Q N 1.682 121.456 119.800 -0.043 0.000 2.322 124 Q HA 0.527 4.868 4.340 0.001 0.000 0.265 124 Q C -0.922 175.077 176.000 -0.000 0.000 0.985 124 Q CA -0.778 54.976 55.803 -0.082 0.000 0.849 124 Q CB 1.436 30.160 28.738 -0.023 0.000 1.274 124 Q HN 0.641 nan 8.270 nan 0.000 0.449 125 H N -0.694 118.449 119.070 0.122 0.000 2.942 125 H HA 0.284 4.840 4.556 0.001 0.000 0.316 125 H C -1.005 174.431 175.328 0.179 0.000 1.323 125 H CA -1.171 54.954 56.048 0.128 0.000 1.144 125 H CB 0.455 30.273 29.762 0.093 0.000 1.866 125 H HN 0.506 nan 8.280 nan 0.000 0.545 126 Q N 0.488 120.549 119.800 0.435 0.000 2.443 126 Q HA 0.185 4.526 4.340 0.001 0.000 0.232 126 Q C -0.260 175.844 176.000 0.174 0.000 1.026 126 Q CA -0.944 55.042 55.803 0.305 0.000 0.924 126 Q CB 1.241 30.108 28.738 0.216 0.000 1.256 126 Q HN 0.630 nan 8.270 nan 0.000 0.519 127 K N 0.945 121.332 120.400 -0.023 0.000 2.489 127 K HA 0.018 4.339 4.320 0.001 0.000 0.278 127 K C -0.547 175.919 176.600 -0.223 0.000 1.000 127 K CA -0.252 55.799 56.287 -0.393 0.000 1.012 127 K CB 0.405 32.793 32.500 -0.187 0.000 0.903 127 K HN 0.516 nan 8.250 nan 0.000 0.485 128 I N 5.905 126.317 120.570 -0.263 0.000 2.291 128 I HA 0.152 4.323 4.170 0.001 0.000 0.290 128 I C 0.098 176.135 176.117 -0.134 0.000 1.050 128 I CA -0.174 61.023 61.300 -0.171 0.000 1.245 128 I CB 0.720 38.632 38.000 -0.147 0.000 1.405 128 I HN 0.557 nan 8.210 nan 0.000 0.478 129 R N 8.217 128.643 120.500 -0.123 0.000 2.207 129 R HA 0.406 4.747 4.340 0.001 0.000 0.334 129 R C -2.368 173.921 176.300 -0.019 0.000 1.013 129 R CA -1.389 54.678 56.100 -0.055 0.000 0.858 129 R CB 1.121 31.405 30.300 -0.026 0.000 1.094 129 R HN 0.376 nan 8.270 nan 0.000 0.457 130 P HA 0.338 nan 4.420 nan 0.000 0.285 130 P C -1.175 176.117 177.300 -0.013 0.000 1.269 130 P CA -0.459 62.565 63.100 -0.127 0.000 0.844 130 P CB 1.018 32.653 31.700 -0.108 0.000 1.094 131 F N -1.468 118.493 119.950 0.019 0.000 2.693 131 F HA 0.746 5.273 4.527 0.001 0.000 0.309 131 F C -0.709 175.126 175.800 0.058 0.000 1.129 131 F CA -1.184 56.823 58.000 0.012 0.000 0.948 131 F CB 1.349 40.344 39.000 -0.009 0.000 1.315 131 F HN 0.436 nan 8.300 nan 0.000 0.447 132 R N -0.037 120.634 120.500 0.285 0.000 2.947 132 R HA 0.536 4.876 4.340 0.001 0.000 0.253 132 R C -1.243 175.152 176.300 0.159 0.000 1.208 132 R CA -0.998 55.248 56.100 0.243 0.000 1.012 132 R CB 1.267 31.643 30.300 0.126 0.000 1.267 132 R HN 0.775 nan 8.270 nan 0.000 0.473 133 E N -0.302 119.967 120.200 0.115 0.000 2.481 133 E HA 0.139 4.489 4.350 0.001 0.000 0.263 133 E C 0.453 177.016 176.600 -0.062 0.000 0.992 133 E CA 1.674 58.062 56.400 -0.021 0.000 0.938 133 E CB 0.366 30.079 29.700 0.022 0.000 0.933 133 E HN 0.856 nan 8.360 nan 0.000 0.453 134 G N 3.111 111.777 108.800 -0.223 0.000 2.195 134 G HA2 -0.210 3.751 3.960 0.001 0.000 0.246 134 G HA3 -0.210 3.751 3.960 0.001 0.000 0.246 134 G C -0.211 174.659 174.900 -0.050 0.000 0.984 134 G CA -0.094 44.964 45.100 -0.069 0.000 0.633 134 G HN 0.557 nan 8.290 nan 0.000 0.525 135 D N 0.737 121.052 120.400 -0.143 0.000 2.308 135 D HA 0.433 5.073 4.640 0.001 0.000 0.251 135 D C 0.219 176.481 176.300 -0.064 0.000 1.127 135 D CA -0.194 53.774 54.000 -0.053 0.000 0.876 135 D CB 1.293 42.099 40.800 0.010 0.000 1.176 135 D HN 0.151 nan 8.370 nan 0.000 0.446 136 L N 5.135 126.392 121.223 0.056 0.000 2.283 136 L HA 0.333 4.674 4.340 0.001 0.000 0.281 136 L C -0.973 175.925 176.870 0.047 0.000 1.033 136 L CA -0.394 54.519 54.840 0.122 0.000 0.848 136 L CB -0.055 42.083 42.059 0.132 0.000 1.226 136 L HN 0.275 nan 8.230 nan 0.000 0.429 137 L N 4.866 126.089 121.223 0.000 0.000 2.399 137 L HA 0.568 4.909 4.340 0.001 0.000 0.266 137 L C -0.068 176.795 176.870 -0.011 0.000 1.114 137 L CA -0.807 54.008 54.840 -0.041 0.000 0.804 137 L CB 1.627 43.598 42.059 -0.146 0.000 1.146 137 L HN 0.227 nan 8.230 nan 0.000 0.451 138 V N 2.110 122.006 119.914 -0.029 0.000 2.581 138 V HA 0.503 4.624 4.120 0.001 0.000 0.303 138 V C -0.233 175.804 176.094 -0.095 0.000 1.041 138 V CA -0.593 61.688 62.300 -0.031 0.000 0.907 138 V CB 2.279 34.098 31.823 -0.007 0.000 0.994 138 V HN 0.468 nan 8.190 nan 0.000 0.442 139 V N 5.152 124.992 119.914 -0.123 0.000 2.498 139 V HA 0.330 4.451 4.120 0.001 0.000 0.283 139 V C -2.609 173.407 176.094 -0.130 0.000 1.015 139 V CA -1.481 60.695 62.300 -0.207 0.000 0.867 139 V CB 1.588 33.152 31.823 -0.433 0.000 1.025 139 V HN 0.717 nan 8.190 nan 0.000 0.441 140 P HA 0.254 nan 4.420 nan 0.000 0.270 140 P C 0.058 177.326 177.300 -0.053 0.000 1.223 140 P CA 0.117 63.183 63.100 -0.057 0.000 0.785 140 P CB 0.627 32.301 31.700 -0.043 0.000 0.923 141 A N 1.800 124.596 122.820 -0.040 0.000 2.483 141 A HA 0.425 4.746 4.320 0.001 0.000 0.238 141 A C 1.523 179.099 177.584 -0.014 0.000 1.070 141 A CA 0.606 52.628 52.037 -0.024 0.000 0.770 141 A CB -1.410 17.573 19.000 -0.028 0.000 1.008 141 A HN 0.867 nan 8.150 nan 0.000 0.497 142 G N -0.050 108.771 108.800 0.035 0.000 2.175 142 G HA2 -0.166 3.795 3.960 0.001 0.000 0.265 142 G HA3 -0.166 3.795 3.960 0.001 0.000 0.265 142 G C 0.147 175.001 174.900 -0.076 0.000 0.979 142 G CA 0.438 45.542 45.100 0.007 0.000 0.663 142 G HN 1.515 nan 8.290 nan 0.000 0.533 143 V N 1.643 121.561 119.914 0.008 0.000 2.398 143 V HA 0.660 4.781 4.120 0.001 0.000 0.286 143 V C 0.858 177.030 176.094 0.130 0.000 1.026 143 V CA -0.207 62.092 62.300 -0.002 0.000 0.868 143 V CB 1.549 33.358 31.823 -0.024 0.000 0.982 143 V HN 0.852 nan 8.190 nan 0.000 0.443 144 S N 4.207 120.004 115.700 0.161 0.000 2.601 144 S HA 0.717 5.187 4.470 0.001 0.000 0.271 144 S C -0.483 174.320 174.600 0.339 0.000 1.305 144 S CA -0.391 58.008 58.200 0.332 0.000 1.022 144 S CB 0.777 64.187 63.200 0.351 0.000 0.940 144 S HN 1.142 nan 8.310 nan 0.000 0.525 145 H N -1.025 118.140 119.070 0.157 0.000 3.042 145 H HA 0.729 5.286 4.556 0.001 0.000 0.346 145 H C -1.396 174.056 175.328 0.207 0.000 1.294 145 H CA -1.403 54.696 56.048 0.085 0.000 1.141 145 H CB 0.826 30.579 29.762 -0.016 0.000 1.872 145 H HN 0.850 nan 8.280 nan 0.000 0.541 146 W N 1.333 122.610 121.300 -0.037 0.000 3.062 146 W HA 0.711 5.373 4.660 0.002 0.000 0.336 146 W C -2.129 174.421 176.519 0.052 0.000 1.224 146 W CA -1.492 55.810 57.345 -0.071 0.000 1.159 146 W CB 1.559 31.049 29.460 0.049 0.000 1.454 146 W HN 0.582 nan 8.180 nan 0.000 0.569 147 M N 2.192 122.006 119.600 0.356 0.000 2.501 147 M HA 0.410 4.891 4.480 0.001 0.000 0.293 147 M C -2.010 174.607 176.300 0.529 0.000 1.192 147 M CA -0.830 54.686 55.300 0.360 0.000 0.886 147 M CB 3.663 36.392 32.600 0.215 0.000 1.710 147 M HN 0.452 nan 8.290 nan 0.000 0.457 148 Y N 1.696 122.229 120.300 0.387 0.000 2.421 148 Y HA 0.480 5.031 4.550 0.002 0.000 0.339 148 Y C -1.206 174.788 175.900 0.157 0.000 0.996 148 Y CA -1.084 57.185 58.100 0.282 0.000 1.046 148 Y CB 1.345 40.057 38.460 0.421 0.000 1.226 148 Y HN 0.713 nan 8.280 nan 0.000 0.445 149 N N 4.589 122.899 118.700 -0.649 0.000 2.415 149 N HA 0.168 4.909 4.740 0.001 0.000 0.246 149 N C 0.426 175.334 175.510 -1.004 0.000 1.078 149 N CA -0.270 52.416 53.050 -0.608 0.000 0.942 149 N CB 0.509 38.777 38.487 -0.365 0.000 1.140 149 N HN 0.838 nan 8.380 nan 0.000 0.501 150 R N 1.871 122.009 120.500 -0.602 0.000 2.312 150 R HA 0.323 4.664 4.340 0.001 0.000 0.205 150 R C 0.910 177.186 176.300 -0.039 0.000 0.904 150 R CA -0.337 55.611 56.100 -0.254 0.000 1.052 150 R CB 0.122 30.490 30.300 0.114 0.000 1.014 150 R HN 0.356 nan 8.270 nan 0.000 0.503 151 G N -0.014 108.679 108.800 -0.180 0.000 2.537 151 G HA2 0.103 4.063 3.960 0.001 0.000 0.297 151 G HA3 0.103 4.063 3.960 0.001 0.000 0.297 151 G C -0.075 174.722 174.900 -0.171 0.000 1.310 151 G CA -0.532 44.455 45.100 -0.189 0.000 1.027 151 G HN 0.050 nan 8.290 nan 0.000 0.505 152 Q N -1.042 118.685 119.800 -0.122 0.000 2.352 152 Q HA 0.122 4.463 4.340 0.001 0.000 0.212 152 Q C 1.531 177.471 176.000 -0.100 0.000 0.888 152 Q CA 0.153 55.913 55.803 -0.073 0.000 0.934 152 Q CB 0.455 29.190 28.738 -0.004 0.000 1.093 152 Q HN 0.573 nan 8.270 nan 0.000 0.523 153 S N 0.007 115.605 115.700 -0.170 0.000 2.707 153 S HA 0.351 4.822 4.470 0.001 0.000 0.276 153 S C -0.057 174.444 174.600 -0.165 0.000 1.179 153 S CA -0.828 57.289 58.200 -0.139 0.000 0.992 153 S CB 1.323 64.436 63.200 -0.144 0.000 1.030 153 S HN -0.115 nan 8.310 nan 0.000 0.554 154 D N 1.021 121.357 120.400 -0.106 0.000 2.351 154 D HA 0.195 4.836 4.640 0.001 0.000 0.251 154 D C -0.492 175.733 176.300 -0.126 0.000 1.137 154 D CA -0.057 53.883 54.000 -0.100 0.000 0.879 154 D CB 0.645 41.420 40.800 -0.041 0.000 1.181 154 D HN 0.467 nan 8.370 nan 0.000 0.448 155 L N 3.591 124.732 121.223 -0.137 0.000 2.295 155 L HA 0.207 4.548 4.340 0.001 0.000 0.288 155 L C -0.948 175.883 176.870 -0.065 0.000 1.079 155 L CA -0.487 54.289 54.840 -0.106 0.000 0.830 155 L CB 0.580 42.588 42.059 -0.086 0.000 1.200 155 L HN 0.029 nan 8.230 nan 0.000 0.438 156 V N 6.815 126.705 119.914 -0.041 0.000 2.350 156 V HA 0.366 4.487 4.120 0.001 0.000 0.276 156 V C 0.120 176.210 176.094 -0.007 0.000 1.028 156 V CA -0.460 61.832 62.300 -0.013 0.000 0.860 156 V CB 1.575 33.418 31.823 0.033 0.000 0.990 156 V HN 0.568 nan 8.190 nan 0.000 0.453 157 L N 5.924 127.154 121.223 0.011 0.000 2.333 157 L HA 0.572 4.913 4.340 0.001 0.000 0.280 157 L C -0.608 176.257 176.870 -0.007 0.000 1.004 157 L CA -0.608 54.233 54.840 0.002 0.000 0.820 157 L CB 1.857 43.939 42.059 0.037 0.000 1.247 157 L HN 0.395 nan 8.230 nan 0.000 0.416 158 I N 4.710 125.284 120.570 0.005 0.000 2.282 158 I HA 0.202 4.373 4.170 0.001 0.000 0.290 158 I C 0.089 176.171 176.117 -0.057 0.000 1.090 158 I CA -0.418 60.832 61.300 -0.084 0.000 1.231 158 I CB 0.947 38.899 38.000 -0.080 0.000 1.434 158 I HN 0.192 nan 8.210 nan 0.000 0.487 159 V N 7.183 127.001 119.914 -0.161 0.000 2.432 159 V HA 0.256 4.377 4.120 0.001 0.000 0.271 159 V C -0.216 175.675 176.094 -0.337 0.000 1.046 159 V CA -0.524 61.666 62.300 -0.182 0.000 0.945 159 V CB 1.131 32.869 31.823 -0.141 0.000 0.992 159 V HN 0.496 nan 8.190 nan 0.000 0.471 160 F N 4.947 124.508 119.950 -0.648 0.000 2.426 160 F HA 0.783 5.310 4.527 0.001 0.000 0.348 160 F C 0.150 175.683 175.800 -0.445 0.000 1.124 160 F CA -0.486 57.026 58.000 -0.814 0.000 1.008 160 F CB 0.970 38.956 39.000 -1.691 0.000 1.139 160 F HN 0.564 nan 8.300 nan 0.000 0.452 161 A N 5.149 127.359 122.820 -1.017 0.000 2.342 161 A HA 0.482 4.803 4.320 0.001 0.000 0.323 161 A C -1.528 175.504 177.584 -0.920 0.000 1.125 161 A CA -0.648 50.940 52.037 -0.749 0.000 0.785 161 A CB 1.094 19.854 19.000 -0.400 0.000 1.221 161 A HN 0.704 nan 8.150 nan 0.000 0.463 162 D N 2.008 122.050 120.400 -0.596 0.000 2.381 162 D HA 0.330 4.971 4.640 0.001 0.000 0.235 162 D C 1.060 177.230 176.300 -0.216 0.000 1.068 162 D CA 0.332 54.089 54.000 -0.404 0.000 0.832 162 D CB 1.726 42.399 40.800 -0.212 0.000 1.101 162 D HN 0.552 nan 8.370 nan 0.000 0.515 163 T N 1.035 115.487 114.554 -0.170 0.000 3.057 163 T HA 0.097 4.448 4.350 0.001 0.000 0.254 163 T C 1.309 175.979 174.700 -0.051 0.000 1.094 163 T CA 0.148 62.190 62.100 -0.096 0.000 1.088 163 T CB 0.166 68.994 68.868 -0.066 0.000 0.934 163 T HN 0.253 nan 8.240 nan 0.000 0.497 164 R N 1.865 122.341 120.500 -0.041 0.000 2.555 164 R HA 0.271 4.612 4.340 0.001 0.000 0.272 164 R C 0.301 176.598 176.300 -0.004 0.000 1.089 164 R CA -0.290 55.806 56.100 -0.007 0.000 1.126 164 R CB -0.117 30.193 30.300 0.017 0.000 1.250 164 R HN 0.383 nan 8.270 nan 0.000 0.551 165 N N 0.624 119.310 118.700 -0.023 0.000 2.529 165 N HA -0.035 4.706 4.740 0.001 0.000 0.278 165 N C 1.312 176.812 175.510 -0.016 0.000 1.146 165 N CA 0.039 53.078 53.050 -0.018 0.000 0.980 165 N CB 1.818 40.285 38.487 -0.033 0.000 1.124 165 N HN -0.112 nan 8.380 nan 0.000 0.458 166 V N 4.561 124.467 119.914 -0.013 0.000 2.317 166 V HA -0.317 3.803 4.120 0.001 0.000 0.251 166 V C 2.193 178.276 176.094 -0.018 0.000 1.065 166 V CA 2.805 65.097 62.300 -0.014 0.000 1.049 166 V CB -0.834 30.978 31.823 -0.018 0.000 0.651 166 V HN 0.835 nan 8.190 nan 0.000 0.450 167 A N 0.044 122.850 122.820 -0.023 0.000 2.076 167 A HA -0.164 4.157 4.320 0.001 0.000 0.220 167 A C 1.393 178.962 177.584 -0.026 0.000 1.160 167 A CA 1.606 53.628 52.037 -0.026 0.000 0.653 167 A CB -0.709 18.273 19.000 -0.030 0.000 0.801 167 A HN 0.740 nan 8.150 nan 0.000 0.455 168 N N -0.104 118.581 118.700 -0.025 0.000 2.426 168 N HA 0.277 5.018 4.740 0.001 0.000 0.257 168 N C 0.101 175.603 175.510 -0.013 0.000 1.002 168 N CA -0.143 52.894 53.050 -0.023 0.000 0.942 168 N CB 0.905 39.373 38.487 -0.032 0.000 1.112 168 N HN 0.294 nan 8.380 nan 0.000 0.499 169 Q N 2.742 122.537 119.800 -0.009 0.000 2.319 169 Q HA 0.270 4.611 4.340 0.001 0.000 0.202 169 Q C 0.630 176.635 176.000 0.009 0.000 0.896 169 Q CA 0.117 55.920 55.803 -0.001 0.000 0.942 169 Q CB 0.499 29.236 28.738 -0.002 0.000 1.083 169 Q HN 0.705 nan 8.270 nan 0.000 0.510 170 I N 0.471 121.046 120.570 0.009 0.000 4.236 170 I HA -0.005 4.166 4.170 0.001 0.000 0.224 170 I C 0.334 176.470 176.117 0.031 0.000 0.995 170 I CA 0.235 61.548 61.300 0.022 0.000 1.505 170 I CB 0.245 38.255 38.000 0.017 0.000 1.378 170 I HN 0.133 nan 8.210 nan 0.000 0.438 171 D N -0.208 120.213 120.400 0.036 0.000 2.579 171 D HA 0.196 4.837 4.640 0.001 0.000 0.257 171 D C -2.496 173.840 176.300 0.060 0.000 1.176 171 D CA -2.048 51.990 54.000 0.063 0.000 0.914 171 D CB 0.505 41.374 40.800 0.115 0.000 1.431 171 D HN 0.007 nan 8.370 nan 0.000 0.454 172 P HA -0.040 nan 4.420 nan 0.000 0.261 172 P C -0.651 176.717 177.300 0.113 0.000 1.297 172 P CA 0.331 63.468 63.100 0.060 0.000 0.757 172 P CB -0.634 31.098 31.700 0.053 0.000 1.149 173 Y N 1.100 121.396 120.300 -0.006 0.000 2.328 173 Y HA 0.471 5.022 4.550 0.001 0.000 0.337 173 Y C -0.488 175.406 175.900 -0.011 0.000 0.966 173 Y CA -2.912 55.183 58.100 -0.008 0.000 1.136 173 Y CB 0.526 38.985 38.460 -0.002 0.000 1.170 173 Y HN -0.259 nan 8.280 nan 0.000 0.470 174 L N 7.406 128.616 121.223 -0.021 0.000 2.455 174 L HA 0.362 4.703 4.340 0.001 0.000 0.272 174 L C -0.721 175.943 176.870 -0.344 0.000 1.174 174 L CA 0.472 55.217 54.840 -0.159 0.000 0.869 174 L CB 0.079 42.114 42.059 -0.041 0.000 1.130 174 L HN 0.801 nan 8.230 nan 0.000 0.474 175 R N 4.477 124.795 120.500 -0.303 0.000 2.574 175 R HA 0.481 4.822 4.340 0.001 0.000 0.288 175 R C -1.064 175.148 176.300 -0.146 0.000 1.004 175 R CA -0.985 54.928 56.100 -0.312 0.000 0.895 175 R CB 1.898 31.970 30.300 -0.380 0.000 1.191 175 R HN 0.413 nan 8.270 nan 0.000 0.444 176 K N 3.125 123.400 120.400 -0.208 0.000 2.376 176 K HA 0.373 4.693 4.320 0.001 0.000 0.257 176 K C -1.356 175.027 176.600 -0.361 0.000 0.939 176 K CA -0.554 55.618 56.287 -0.191 0.000 0.809 176 K CB 1.103 33.522 32.500 -0.136 0.000 1.121 176 K HN 0.375 nan 8.250 nan 0.000 0.425 177 F N 4.033 123.579 119.950 -0.673 0.000 2.332 177 F HA 0.311 4.838 4.527 0.001 0.000 0.368 177 F C 0.015 175.422 175.800 -0.656 0.000 1.110 177 F CA -0.647 56.899 58.000 -0.757 0.000 1.087 177 F CB 0.424 38.566 39.000 -1.430 0.000 1.235 177 F HN 0.365 nan 8.300 nan 0.000 0.470 178 Y N 2.954 123.189 120.300 -0.108 0.000 2.301 178 Y HA 0.258 4.808 4.550 0.001 0.000 0.325 178 Y C 1.217 177.171 175.900 0.090 0.000 1.203 178 Y CA -0.342 57.766 58.100 0.013 0.000 1.255 178 Y CB 1.093 39.560 38.460 0.012 0.000 1.232 178 Y HN 0.491 nan 8.280 nan 0.000 0.501 179 L N 1.660 123.084 121.223 0.336 0.000 2.354 179 L HA 0.318 4.659 4.340 0.001 0.000 0.212 179 L C 0.677 177.810 176.870 0.438 0.000 1.091 179 L CA 0.361 55.430 54.840 0.382 0.000 0.828 179 L CB -0.069 42.237 42.059 0.412 0.000 0.973 179 L HN 0.654 nan 8.230 nan 0.000 0.461 180 A N -0.914 122.100 122.820 0.324 0.000 2.566 180 A HA 0.720 5.041 4.320 0.001 0.000 0.292 180 A C -0.015 177.651 177.584 0.136 0.000 1.112 180 A CA 0.069 52.240 52.037 0.223 0.000 0.707 180 A CB 1.267 20.356 19.000 0.149 0.000 1.302 180 A HN 0.242 nan 8.150 nan 0.000 0.409 181 G N -0.111 108.732 108.800 0.071 0.000 2.698 181 G HA2 0.149 4.110 3.960 0.001 0.000 0.225 181 G HA3 0.149 4.110 3.960 0.001 0.000 0.225 181 G C -0.353 174.540 174.900 -0.013 0.000 1.345 181 G CA -0.012 45.088 45.100 0.001 0.000 0.871 181 G HN 1.368 nan 8.290 nan 0.000 0.540 182 R N 0.949 121.411 120.500 -0.063 0.000 2.818 182 R HA 0.361 4.701 4.340 0.001 0.000 0.258 182 R C -2.740 173.493 176.300 -0.111 0.000 1.797 182 R CA -1.211 54.851 56.100 -0.062 0.000 1.532 182 R CB 1.496 31.777 30.300 -0.033 0.000 1.413 182 R HN 0.584 nan 8.270 nan 0.000 0.622 183 P HA 0.234 nan 4.420 nan 0.000 0.290 183 P C -0.906 176.313 177.300 -0.136 0.000 1.276 183 P CA -0.358 62.601 63.100 -0.235 0.000 0.808 183 P CB 1.252 32.629 31.700 -0.538 0.000 0.966 184 E N 2.464 122.610 120.200 -0.089 0.000 2.159 184 E HA -0.000 4.350 4.350 0.001 0.000 0.272 184 E C 0.685 177.268 176.600 -0.027 0.000 1.138 184 E CA -0.361 56.012 56.400 -0.045 0.000 0.915 184 E CB 0.231 29.915 29.700 -0.027 0.000 1.028 184 E HN 0.329 nan 8.360 nan 0.000 0.423 185 Q N 3.890 123.680 119.800 -0.017 0.000 2.320 185 Q HA -0.032 4.308 4.340 0.001 0.000 0.262 185 Q C -0.167 175.855 176.000 0.036 0.000 1.225 185 Q CA 0.320 56.134 55.803 0.018 0.000 0.916 185 Q CB 0.977 29.721 28.738 0.009 0.000 1.417 185 Q HN 0.454 nan 8.270 nan 0.000 0.462 186 V N 2.993 122.941 119.914 0.058 0.000 3.502 186 V HA 0.015 4.136 4.120 0.001 0.000 0.288 186 V C 1.645 177.791 176.094 0.086 0.000 1.461 186 V CA 0.467 62.804 62.300 0.061 0.000 1.029 186 V CB 0.130 31.985 31.823 0.054 0.000 0.843 186 V HN 0.856 nan 8.190 nan 0.000 0.438 187 E N 0.319 120.583 120.200 0.107 0.000 2.455 187 E HA -0.219 4.132 4.350 0.001 0.000 0.202 187 E C 1.792 178.459 176.600 0.111 0.000 1.045 187 E CA 0.870 57.336 56.400 0.109 0.000 0.872 187 E CB 0.256 30.024 29.700 0.114 0.000 0.792 187 E HN 0.408 nan 8.360 nan 0.000 0.542 188 R N -2.835 117.737 120.500 0.120 0.000 2.258 188 R HA 0.077 4.418 4.340 0.001 0.000 0.188 188 R C 0.766 177.107 176.300 0.069 0.000 0.793 188 R CA 1.105 57.290 56.100 0.142 0.000 1.301 188 R CB -0.197 30.293 30.300 0.318 0.000 1.582 188 R HN 0.204 nan 8.270 nan 0.000 0.448 189 G N 0.547 109.380 108.800 0.056 0.000 3.581 189 G HA2 -0.394 3.567 3.960 0.001 0.000 0.336 189 G HA3 -0.394 3.567 3.960 0.001 0.000 0.336 189 G C 0.015 174.899 174.900 -0.026 0.000 1.259 189 G CA 0.841 45.949 45.100 0.012 0.000 1.001 189 G HN 0.285 nan 8.290 nan 0.000 0.662 205 K N 2.882 123.269 120.400 -0.023 0.000 2.535 205 K HA 0.270 4.591 4.320 0.001 0.000 0.242 205 K C -0.328 176.256 176.600 -0.027 0.000 1.210 205 K CA -0.229 56.044 56.287 -0.023 0.000 1.178 205 K CB 0.375 32.864 32.500 -0.019 0.000 1.778 205 K HN 0.556 nan 8.250 nan 0.000 0.372 206 S N -0.231 115.450 115.700 -0.032 0.000 2.533 206 S HA 0.380 4.851 4.470 0.001 0.000 0.282 206 S C 0.625 175.203 174.600 -0.037 0.000 1.304 206 S CA -0.636 57.540 58.200 -0.039 0.000 1.063 206 S CB 1.489 64.664 63.200 -0.041 0.000 0.881 206 S HN 0.449 nan 8.310 nan 0.000 0.493 207 G N 2.332 111.113 108.800 -0.031 0.000 3.211 207 G HA2 0.586 4.547 3.960 0.001 0.000 0.167 207 G HA3 0.586 4.547 3.960 0.001 0.000 0.167 207 G C -0.676 174.229 174.900 0.009 0.000 1.212 207 G CA -0.947 44.146 45.100 -0.011 0.000 0.928 207 G HN 0.859 nan 8.290 nan 0.000 0.607 208 N N -1.016 117.718 118.700 0.058 0.000 2.485 208 N HA 0.283 5.024 4.740 0.001 0.000 0.280 208 N C 1.486 177.032 175.510 0.059 0.000 1.205 208 N CA -0.398 52.716 53.050 0.106 0.000 0.959 208 N CB 1.224 39.830 38.487 0.200 0.000 1.206 208 N HN 0.651 nan 8.380 nan 0.000 0.545 209 I N -3.682 116.887 120.570 -0.002 0.000 2.502 209 I HA -0.192 3.979 4.170 0.001 0.000 0.258 209 I C 0.644 176.694 176.117 -0.113 0.000 1.172 209 I CA 1.407 62.651 61.300 -0.093 0.000 1.430 209 I CB -0.524 37.413 38.000 -0.106 0.000 1.086 209 I HN 0.312 nan 8.210 nan 0.000 0.440 210 F N 2.045 122.146 119.950 0.252 0.000 2.416 210 F HA -0.040 4.488 4.527 0.002 0.000 0.296 210 F C 2.834 178.756 175.800 0.203 0.000 1.099 210 F CA 0.943 59.139 58.000 0.326 0.000 1.427 210 F CB -0.347 38.783 39.000 0.217 0.000 1.079 210 F HN 0.148 nan 8.300 nan 0.000 0.536 211 S N -0.286 115.559 115.700 0.241 0.000 2.500 211 S HA -0.067 4.404 4.470 0.001 0.000 0.239 211 S C 2.053 176.679 174.600 0.044 0.000 0.989 211 S CA 0.891 59.169 58.200 0.130 0.000 0.951 211 S CB -0.921 62.326 63.200 0.078 0.000 0.759 211 S HN 0.356 nan 8.310 nan 0.000 0.523 212 G N -0.326 108.438 108.800 -0.060 0.000 2.939 212 G HA2 0.328 4.289 3.960 0.001 0.000 0.210 212 G HA3 0.328 4.289 3.960 0.001 0.000 0.210 212 G C -0.046 174.714 174.900 -0.233 0.000 1.160 212 G CA -0.343 44.641 45.100 -0.194 0.000 0.770 212 G HN 0.413 nan 8.290 nan 0.000 0.543 213 F N 0.926 120.956 119.950 0.134 0.000 2.397 213 F HA 0.669 5.196 4.527 0.001 0.000 0.331 213 F C 0.755 176.609 175.800 0.090 0.000 1.090 213 F CA -1.733 56.360 58.000 0.155 0.000 1.065 213 F CB 1.508 40.676 39.000 0.281 0.000 1.184 213 F HN 0.036 nan 8.300 nan 0.000 0.499 214 A N 2.239 125.199 122.820 0.234 0.000 2.477 214 A HA 0.110 4.431 4.320 0.001 0.000 0.246 214 A C 1.218 178.870 177.584 0.112 0.000 1.078 214 A CA -0.389 51.662 52.037 0.024 0.000 0.770 214 A CB -0.014 18.803 19.000 -0.305 0.000 1.011 214 A HN 0.830 nan 8.150 nan 0.000 0.494 215 D N 1.167 121.611 120.400 0.073 0.000 2.133 215 D HA -0.213 4.428 4.640 0.001 0.000 0.192 215 D C 1.677 178.048 176.300 0.118 0.000 1.001 215 D CA 2.085 56.138 54.000 0.087 0.000 0.844 215 D CB -0.059 40.770 40.800 0.048 0.000 0.944 215 D HN 0.852 nan 8.370 nan 0.000 0.447 216 E N 0.352 120.615 120.200 0.105 0.000 2.033 216 E HA -0.198 4.153 4.350 0.001 0.000 0.199 216 E C 2.030 178.816 176.600 0.309 0.000 1.011 216 E CA 1.040 57.540 56.400 0.167 0.000 0.815 216 E CB -0.544 29.244 29.700 0.146 0.000 0.755 216 E HN 0.109 nan 8.360 nan 0.000 0.451 217 F N 0.568 120.567 119.950 0.082 0.000 2.087 217 F HA -0.184 4.344 4.527 0.001 0.000 0.299 217 F C 2.322 178.173 175.800 0.085 0.000 1.100 217 F CA 1.163 59.202 58.000 0.065 0.000 1.226 217 F CB -0.995 38.045 39.000 0.066 0.000 0.983 217 F HN 0.115 nan 8.300 nan 0.000 0.479 218 L N -0.688 120.737 121.223 0.336 0.000 2.217 218 L HA -0.157 4.183 4.340 0.001 0.000 0.211 218 L C 2.141 179.177 176.870 0.277 0.000 1.107 218 L CA 1.054 56.082 54.840 0.313 0.000 0.783 218 L CB -0.624 41.559 42.059 0.208 0.000 0.919 218 L HN 0.184 nan 8.230 nan 0.000 0.442 219 E N 0.103 120.413 120.200 0.183 0.000 2.152 219 E HA -0.183 4.168 4.350 0.001 0.000 0.192 219 E C 1.891 178.575 176.600 0.140 0.000 0.983 219 E CA 0.958 57.437 56.400 0.133 0.000 0.818 219 E CB 0.094 29.850 29.700 0.094 0.000 0.758 219 E HN 0.589 nan 8.360 nan 0.000 0.467 220 E N 1.138 121.417 120.200 0.133 0.000 2.021 220 E HA -0.081 4.270 4.350 0.001 0.000 0.189 220 E C 2.273 178.897 176.600 0.040 0.000 0.980 220 E CA 0.683 57.126 56.400 0.071 0.000 0.803 220 E CB -0.209 29.514 29.700 0.038 0.000 0.766 220 E HN 0.168 nan 8.360 nan 0.000 0.449 221 A N 1.181 124.015 122.820 0.022 0.000 1.915 221 A HA -0.220 4.101 4.320 0.001 0.000 0.220 221 A C 1.863 179.313 177.584 -0.223 0.000 1.198 221 A CA 1.812 53.768 52.037 -0.134 0.000 0.647 221 A CB -0.813 18.079 19.000 -0.179 0.000 0.825 221 A HN 0.234 nan 8.150 nan 0.000 0.456 222 F N -1.924 118.011 119.950 -0.026 0.000 2.714 222 F HA 0.186 4.713 4.527 0.001 0.000 0.294 222 F C 0.580 176.366 175.800 -0.022 0.000 1.120 222 F CA 0.545 58.527 58.000 -0.030 0.000 1.398 222 F CB 0.224 39.191 39.000 -0.055 0.000 1.120 222 F HN 0.158 nan 8.300 nan 0.000 0.589 223 Q N 1.352 121.243 119.800 0.152 0.000 2.447 223 Q HA -0.168 4.173 4.340 0.001 0.000 0.316 223 Q C -0.550 175.502 176.000 0.086 0.000 1.448 223 Q CA 0.814 56.668 55.803 0.086 0.000 0.804 223 Q CB -2.206 26.561 28.738 0.049 0.000 1.107 223 Q HN 0.702 nan 8.270 nan 0.000 0.373 224 I N -2.940 117.680 120.570 0.083 0.000 3.191 224 I HA 0.637 4.808 4.170 0.001 0.000 0.313 224 I C 0.073 176.205 176.117 0.025 0.000 1.193 224 I CA -1.399 59.926 61.300 0.042 0.000 0.968 224 I CB 1.812 39.819 38.000 0.012 0.000 1.262 224 I HN -0.030 nan 8.210 nan 0.000 0.456 225 D N 1.673 122.077 120.400 0.006 0.000 2.354 225 D HA 0.185 4.826 4.640 0.001 0.000 0.247 225 D C 1.138 177.435 176.300 -0.006 0.000 1.138 225 D CA -0.274 53.728 54.000 0.004 0.000 0.958 225 D CB 1.393 42.192 40.800 -0.001 0.000 1.144 225 D HN 0.811 nan 8.370 nan 0.000 0.458 226 G N -0.114 108.687 108.800 0.001 0.000 2.470 226 G HA2 -0.129 3.832 3.960 0.001 0.000 0.220 226 G HA3 -0.129 3.832 3.960 0.001 0.000 0.220 226 G C 1.375 176.266 174.900 -0.016 0.000 1.121 226 G CA 0.623 45.722 45.100 -0.002 0.000 0.766 226 G HN 0.639 nan 8.290 nan 0.000 0.553 227 G N 0.497 109.287 108.800 -0.018 0.000 2.443 227 G HA2 -0.084 3.877 3.960 0.001 0.000 0.219 227 G HA3 -0.084 3.877 3.960 0.001 0.000 0.219 227 G C 1.671 176.546 174.900 -0.041 0.000 1.131 227 G CA 0.360 45.445 45.100 -0.024 0.000 0.775 227 G HN 0.434 nan 8.290 nan 0.000 0.547 228 L N 0.145 121.335 121.223 -0.054 0.000 2.209 228 L HA 0.034 4.375 4.340 0.001 0.000 0.207 228 L C 2.849 179.639 176.870 -0.133 0.000 1.094 228 L CA 0.184 54.968 54.840 -0.092 0.000 0.790 228 L CB -0.009 41.991 42.059 -0.097 0.000 0.932 228 L HN 0.079 nan 8.230 nan 0.000 0.447 229 V N -0.260 119.590 119.914 -0.107 0.000 2.594 229 V HA -0.257 3.864 4.120 0.001 0.000 0.253 229 V C 2.554 178.605 176.094 -0.072 0.000 1.069 229 V CA 1.468 63.700 62.300 -0.112 0.000 1.082 229 V CB -0.576 31.223 31.823 -0.041 0.000 0.680 229 V HN 0.391 nan 8.190 nan 0.000 0.469 230 R N 0.587 121.057 120.500 -0.050 0.000 2.075 230 R HA -0.078 4.263 4.340 0.001 0.000 0.232 230 R C 2.297 178.574 176.300 -0.038 0.000 1.126 230 R CA 1.403 57.485 56.100 -0.029 0.000 0.963 230 R CB -0.257 30.030 30.300 -0.022 0.000 0.858 230 R HN 0.326 nan 8.270 nan 0.000 0.435 231 K N 0.171 120.535 120.400 -0.060 0.000 2.025 231 K HA -0.120 4.200 4.320 0.001 0.000 0.207 231 K C 1.988 178.542 176.600 -0.077 0.000 1.049 231 K CA 0.995 57.245 56.287 -0.062 0.000 0.933 231 K CB -0.631 31.826 32.500 -0.072 0.000 0.714 231 K HN 0.146 nan 8.250 nan 0.000 0.438 232 L N 2.375 123.509 121.223 -0.148 0.000 1.971 232 L HA -0.212 4.129 4.340 0.001 0.000 0.215 232 L C 1.979 178.821 176.870 -0.045 0.000 1.072 232 L CA 1.938 56.641 54.840 -0.228 0.000 0.758 232 L CB -0.445 41.319 42.059 -0.493 0.000 0.889 232 L HN 0.078 nan 8.230 nan 0.000 0.433 233 K N -0.364 120.038 120.400 0.004 0.000 2.360 233 K HA -0.021 4.300 4.320 0.001 0.000 0.201 233 K C 1.111 177.756 176.600 0.074 0.000 1.046 233 K CA 0.692 57.040 56.287 0.101 0.000 0.940 233 K CB -0.574 31.975 32.500 0.081 0.000 0.748 233 K HN 0.622 nan 8.250 nan 0.000 0.465 234 G N 2.358 111.176 108.800 0.031 0.000 2.341 234 G HA2 -0.298 3.663 3.960 0.001 0.000 0.292 234 G HA3 -0.298 3.663 3.960 0.001 0.000 0.292 234 G C 0.551 175.459 174.900 0.013 0.000 1.021 234 G CA 0.593 45.705 45.100 0.019 0.000 0.905 234 G HN 0.292 nan 8.290 nan 0.000 0.508 235 E N -0.003 120.204 120.200 0.011 0.000 2.086 235 E HA -0.159 4.192 4.350 0.001 0.000 0.200 235 E C 1.706 178.304 176.600 -0.003 0.000 1.012 235 E CA 1.760 58.164 56.400 0.006 0.000 0.812 235 E CB -0.072 29.631 29.700 0.005 0.000 0.743 235 E HN 0.600 nan 8.360 nan 0.000 0.453 236 D N 0.501 120.897 120.400 -0.006 0.000 2.354 236 D HA -0.036 4.605 4.640 0.001 0.000 0.209 236 D C 0.037 176.329 176.300 -0.014 0.000 1.015 236 D CA 0.044 54.037 54.000 -0.010 0.000 0.867 236 D CB -0.110 40.684 40.800 -0.011 0.000 0.933 236 D HN 0.012 nan 8.370 nan 0.000 0.520 237 D N 1.242 121.633 120.400 -0.014 0.000 2.502 237 D HA -0.083 4.558 4.640 0.001 0.000 0.249 237 D C 0.178 176.464 176.300 -0.025 0.000 1.188 237 D CA 0.623 54.612 54.000 -0.019 0.000 0.890 237 D CB 0.485 41.274 40.800 -0.019 0.000 1.140 237 D HN 0.090 nan 8.370 nan 0.000 0.505 238 E N 2.500 122.685 120.200 -0.025 0.000 2.685 238 E HA 0.120 4.471 4.350 0.001 0.000 0.208 238 E C 1.044 177.628 176.600 -0.027 0.000 0.996 238 E CA -0.165 56.220 56.400 -0.026 0.000 1.054 238 E CB 0.523 30.211 29.700 -0.020 0.000 1.075 238 E HN 0.351 nan 8.360 nan 0.000 0.460 239 R N 0.294 120.774 120.500 -0.033 0.000 2.254 239 R HA 0.106 4.447 4.340 0.001 0.000 0.195 239 R C 0.195 176.469 176.300 -0.043 0.000 0.957 239 R CA 0.436 56.516 56.100 -0.033 0.000 1.024 239 R CB 0.089 30.369 30.300 -0.034 0.000 0.952 239 R HN 0.110 nan 8.270 nan 0.000 0.484 240 D N -0.632 119.729 120.400 -0.065 0.000 3.665 240 D HA -0.244 4.397 4.640 0.001 0.000 0.213 240 D C 0.703 176.915 176.300 -0.147 0.000 1.444 240 D CA 1.661 55.602 54.000 -0.098 0.000 1.120 240 D CB -0.438 40.326 40.800 -0.060 0.000 0.670 240 D HN 0.171 nan 8.370 nan 0.000 0.817 241 R N 1.014 121.412 120.500 -0.169 0.000 2.276 241 R HA 0.180 4.521 4.340 0.001 0.000 0.196 241 R C 0.597 176.844 176.300 -0.088 0.000 0.961 241 R CA 0.751 56.729 56.100 -0.203 0.000 1.024 241 R CB -0.099 30.043 30.300 -0.263 0.000 0.940 241 R HN 0.493 nan 8.270 nan 0.000 0.480 242 I N 3.361 123.892 120.570 -0.065 0.000 2.464 242 I HA 0.186 4.357 4.170 0.001 0.000 0.277 242 I C -0.034 176.064 176.117 -0.032 0.000 1.040 242 I CA -1.150 60.121 61.300 -0.048 0.000 1.153 242 I CB 1.901 39.864 38.000 -0.063 0.000 1.274 242 I HN -0.152 nan 8.210 nan 0.000 0.469 243 V N 2.533 122.428 119.914 -0.030 0.000 2.997 243 V HA 0.488 4.609 4.120 0.001 0.000 0.311 243 V C -0.083 175.984 176.094 -0.045 0.000 1.066 243 V CA -0.735 61.543 62.300 -0.038 0.000 1.039 243 V CB 1.620 33.415 31.823 -0.047 0.000 1.081 243 V HN 0.772 nan 8.190 nan 0.000 0.467 244 Q N 1.887 121.657 119.800 -0.050 0.000 2.314 244 Q HA 0.419 4.760 4.340 0.001 0.000 0.257 244 Q C -0.722 175.211 176.000 -0.111 0.000 0.975 244 Q CA -0.247 55.522 55.803 -0.058 0.000 0.933 244 Q CB 1.232 29.947 28.738 -0.039 0.000 1.195 244 Q HN 0.799 nan 8.270 nan 0.000 0.426 245 V N 5.863 125.674 119.914 -0.172 0.000 2.425 245 V HA -0.009 4.112 4.120 0.001 0.000 0.276 245 V C 0.084 176.040 176.094 -0.229 0.000 1.017 245 V CA 0.138 62.211 62.300 -0.378 0.000 1.062 245 V CB 0.226 31.612 31.823 -0.729 0.000 0.997 245 V HN 0.851 nan 8.190 nan 0.000 0.476 246 D N 5.106 125.410 120.400 -0.161 0.000 2.339 246 D HA 0.137 4.778 4.640 0.001 0.000 0.245 246 D C 1.265 177.555 176.300 -0.016 0.000 1.115 246 D CA 0.517 54.478 54.000 -0.065 0.000 0.917 246 D CB 0.996 41.773 40.800 -0.038 0.000 1.192 246 D HN 0.882 nan 8.370 nan 0.000 0.428 247 E N 0.968 121.169 120.200 0.002 0.000 4.361 247 E HA -0.361 3.990 4.350 0.001 0.000 0.195 247 E C -0.386 176.244 176.600 0.050 0.000 1.320 247 E CA 1.874 58.288 56.400 0.024 0.000 2.239 247 E CB -1.247 28.468 29.700 0.026 0.000 1.897 247 E HN 0.610 nan 8.360 nan 0.000 0.308 248 D N 0.296 120.751 120.400 0.091 0.000 2.769 248 D HA 0.444 5.085 4.640 0.001 0.000 0.219 248 D C -1.597 174.858 176.300 0.258 0.000 1.245 248 D CA -0.634 53.442 54.000 0.128 0.000 0.801 248 D CB 0.572 41.420 40.800 0.079 0.000 1.598 248 D HN 0.125 nan 8.370 nan 0.000 0.485 249 F N 2.004 121.920 119.950 -0.058 0.000 2.451 249 F HA 0.164 4.692 4.527 0.001 0.000 0.367 249 F C 1.633 177.390 175.800 -0.071 0.000 1.100 249 F CA -1.025 56.899 58.000 -0.127 0.000 1.171 249 F CB 1.271 40.095 39.000 -0.293 0.000 1.405 249 F HN 0.366 nan 8.300 nan 0.000 0.482 250 E N 1.130 121.276 120.200 -0.090 0.000 2.150 250 E HA -0.079 4.272 4.350 0.001 0.000 0.193 250 E C 0.619 177.159 176.600 -0.101 0.000 0.985 250 E CA 0.716 57.076 56.400 -0.068 0.000 0.814 250 E CB -0.528 29.137 29.700 -0.057 0.000 0.752 250 E HN 0.305 nan 8.360 nan 0.000 0.466 251 V N 0.643 120.413 119.914 -0.241 0.000 2.420 251 V HA 0.137 4.258 4.120 0.001 0.000 0.274 251 V C 0.531 176.577 176.094 -0.080 0.000 1.003 251 V CA 0.415 62.600 62.300 -0.192 0.000 1.092 251 V CB -0.344 31.274 31.823 -0.340 0.000 1.002 251 V HN 0.272 nan 8.190 nan 0.000 0.473 252 L N 4.620 125.829 121.223 -0.022 0.000 3.188 252 L HA 0.383 4.724 4.340 0.001 0.000 0.353 252 L C -0.015 176.858 176.870 0.006 0.000 1.308 252 L CA -0.113 54.739 54.840 0.020 0.000 0.822 252 L CB 0.284 42.380 42.059 0.061 0.000 1.228 252 L HN 0.632 nan 8.230 nan 0.000 0.583 280 T N -0.022 114.534 114.554 0.002 0.000 2.962 280 T HA -0.105 4.246 4.350 0.001 0.000 0.270 280 T C 1.884 176.589 174.700 0.009 0.000 1.088 280 T CA 0.910 63.014 62.100 0.006 0.000 1.127 280 T CB -0.141 68.731 68.868 0.007 0.000 0.883 280 T HN 0.136 nan 8.240 nan 0.000 0.493 281 I N 1.645 122.218 120.570 0.006 0.000 2.248 281 I HA -0.138 4.033 4.170 0.001 0.000 0.248 281 I C 2.053 178.176 176.117 0.010 0.000 1.107 281 I CA 0.582 61.886 61.300 0.006 0.000 1.373 281 I CB -0.832 37.168 38.000 0.000 0.000 1.055 281 I HN 0.405 nan 8.210 nan 0.000 0.418 282 c N 0.058 118.665 118.600 0.012 0.000 2.460 282 c HA -0.023 4.548 4.570 0.001 0.000 0.291 282 c C 2.448 176.555 174.090 0.027 0.000 1.493 282 c CA 1.240 57.581 56.329 0.020 0.000 1.748 282 c CB -2.344 40.178 42.510 0.019 0.000 1.656 282 c HN 0.690 nan 8.230 nan 0.000 0.576 283 T N 0.114 114.682 114.554 0.022 0.000 2.985 283 T HA 0.275 4.626 4.350 0.001 0.000 0.254 283 T C 0.494 175.209 174.700 0.025 0.000 1.021 283 T CA -0.139 61.976 62.100 0.026 0.000 0.957 283 T CB -0.018 68.862 68.868 0.020 0.000 1.047 283 T HN 0.412 nan 8.240 nan 0.000 0.511 284 L N 2.664 123.901 121.223 0.022 0.000 2.439 284 L HA 0.591 4.932 4.340 0.001 0.000 0.269 284 L C 0.110 176.993 176.870 0.022 0.000 1.179 284 L CA -1.250 53.603 54.840 0.022 0.000 0.828 284 L CB 0.114 42.186 42.059 0.021 0.000 1.106 284 L HN -0.025 nan 8.230 nan 0.000 0.467 285 R N 2.466 122.979 120.500 0.022 0.000 2.623 285 R HA 0.202 4.543 4.340 0.001 0.000 0.271 285 R C 0.229 176.540 176.300 0.017 0.000 1.043 285 R CA -0.028 56.085 56.100 0.021 0.000 1.083 285 R CB -0.052 30.260 30.300 0.020 0.000 0.974 285 R HN 0.632 nan 8.270 nan 0.000 0.436 286 L N 1.540 122.771 121.223 0.014 0.000 2.818 286 L HA 0.280 4.620 4.340 0.001 0.000 0.243 286 L C 0.085 176.958 176.870 0.005 0.000 1.185 286 L CA -0.136 54.707 54.840 0.005 0.000 0.988 286 L CB -0.585 41.471 42.059 -0.005 0.000 1.292 286 L HN 0.765 nan 8.230 nan 0.000 0.519 287 K N -0.273 120.136 120.400 0.015 0.000 2.642 287 K HA 0.524 4.845 4.320 0.001 0.000 0.290 287 K C -1.485 175.129 176.600 0.024 0.000 1.006 287 K CA -0.920 55.379 56.287 0.019 0.000 0.869 287 K CB 2.017 34.532 32.500 0.024 0.000 1.499 287 K HN -0.118 nan 8.250 nan 0.000 0.403 288 Q N 1.446 121.262 119.800 0.027 0.000 2.320 288 Q HA 0.253 4.594 4.340 0.001 0.000 0.272 288 Q C -1.936 174.083 176.000 0.032 0.000 1.023 288 Q CA -0.697 55.121 55.803 0.024 0.000 0.855 288 Q CB 2.305 31.053 28.738 0.017 0.000 1.367 288 Q HN 0.703 nan 8.270 nan 0.000 0.406 289 N N 3.484 122.201 118.700 0.028 0.000 2.419 289 N HA 0.318 5.059 4.740 0.001 0.000 0.264 289 N C 0.084 175.614 175.510 0.034 0.000 1.031 289 N CA -0.207 52.865 53.050 0.036 0.000 0.951 289 N CB 0.636 39.140 38.487 0.028 0.000 1.101 289 N HN 0.608 nan 8.380 nan 0.000 0.488 290 I N 0.642 121.248 120.570 0.061 0.000 3.654 290 I HA 0.535 4.706 4.170 0.001 0.000 0.337 290 I C 0.648 176.790 176.117 0.041 0.000 1.568 290 I CA -0.817 60.499 61.300 0.027 0.000 1.115 290 I CB 0.254 38.246 38.000 -0.013 0.000 1.300 290 I HN 0.345 nan 8.210 nan 0.000 0.471 291 G N 1.721 110.558 108.800 0.062 0.000 2.532 291 G HA2 0.286 4.247 3.960 0.001 0.000 0.291 291 G HA3 0.286 4.247 3.960 0.001 0.000 0.291 291 G C 0.940 175.861 174.900 0.034 0.000 1.349 291 G CA -0.409 44.729 45.100 0.064 0.000 1.038 291 G HN 0.497 nan 8.290 nan 0.000 0.518 292 R N -1.222 119.303 120.500 0.041 0.000 2.103 292 R HA -0.105 4.235 4.340 0.001 0.000 0.242 292 R C 1.632 177.955 176.300 0.038 0.000 1.142 292 R CA 2.075 58.201 56.100 0.044 0.000 0.960 292 R CB -0.666 29.666 30.300 0.052 0.000 0.858 292 R HN 0.350 nan 8.270 nan 0.000 0.439 293 S N 0.414 116.131 115.700 0.029 0.000 3.122 293 S HA 0.203 4.674 4.470 0.001 0.000 0.249 293 S C -0.689 173.915 174.600 0.007 0.000 1.334 293 S CA -0.628 57.582 58.200 0.016 0.000 1.251 293 S CB -0.046 63.161 63.200 0.012 0.000 1.034 293 S HN 0.300 nan 8.310 nan 0.000 0.478 294 E N 0.991 121.194 120.200 0.005 0.000 2.390 294 E HA 0.287 4.638 4.350 0.001 0.000 0.280 294 E C -0.873 175.717 176.600 -0.016 0.000 0.992 294 E CA -0.669 55.727 56.400 -0.007 0.000 0.790 294 E CB 1.583 31.281 29.700 -0.003 0.000 1.248 294 E HN 0.434 nan 8.360 nan 0.000 0.447 295 R N 0.573 121.051 120.500 -0.036 0.000 2.694 295 R HA 0.467 4.808 4.340 0.001 0.000 0.268 295 R C -0.578 175.702 176.300 -0.033 0.000 1.061 295 R CA 0.091 56.155 56.100 -0.061 0.000 1.133 295 R CB 0.540 30.792 30.300 -0.079 0.000 1.020 295 R HN 0.508 nan 8.270 nan 0.000 0.475 296 A N 2.982 125.791 122.820 -0.018 0.000 2.304 296 A HA 0.204 4.525 4.320 0.001 0.000 0.323 296 A C 0.347 177.943 177.584 0.021 0.000 1.195 296 A CA -0.825 51.232 52.037 0.033 0.000 0.826 296 A CB 0.916 20.009 19.000 0.154 0.000 1.184 296 A HN 0.954 nan 8.150 nan 0.000 0.496 297 D N 1.800 122.199 120.400 -0.001 0.000 2.117 297 D HA -0.122 4.519 4.640 0.001 0.000 0.197 297 D C 0.915 177.227 176.300 0.021 0.000 0.987 297 D CA 1.656 55.651 54.000 -0.007 0.000 0.829 297 D CB -0.288 40.498 40.800 -0.023 0.000 0.961 297 D HN 0.429 nan 8.370 nan 0.000 0.460 298 V N -0.544 119.391 119.914 0.036 0.000 2.384 298 V HA 0.559 4.680 4.120 0.001 0.000 0.287 298 V C -1.666 174.508 176.094 0.133 0.000 1.020 298 V CA -0.935 61.397 62.300 0.054 0.000 0.850 298 V CB 1.139 32.962 31.823 0.001 0.000 0.987 298 V HN 0.024 nan 8.190 nan 0.000 0.436 299 F N 6.535 126.464 119.950 -0.035 0.000 2.557 299 F HA 0.626 5.154 4.527 0.001 0.000 0.316 299 F C -0.678 175.120 175.800 -0.003 0.000 1.141 299 F CA -0.502 57.484 58.000 -0.024 0.000 0.922 299 F CB 1.891 40.882 39.000 -0.015 0.000 1.194 299 F HN 0.604 nan 8.300 nan 0.000 0.443 300 N N 7.812 126.272 118.700 -0.401 0.000 2.576 300 N HA 0.354 5.095 4.740 0.001 0.000 0.269 300 N C -2.381 172.880 175.510 -0.415 0.000 1.058 300 N CA -2.250 50.657 53.050 -0.238 0.000 0.860 300 N CB 2.214 40.626 38.487 -0.125 0.000 1.249 300 N HN 0.230 nan 8.380 nan 0.000 0.525 301 P HA -0.170 nan 4.420 nan 0.000 0.220 301 P C 0.625 177.930 177.300 0.008 0.000 1.155 301 P CA 1.716 64.751 63.100 -0.108 0.000 0.880 301 P CB 0.393 32.170 31.700 0.128 0.000 0.790 302 R N -2.198 118.322 120.500 0.033 0.000 2.254 302 R HA 0.200 4.541 4.340 0.001 0.000 0.195 302 R C 2.284 178.713 176.300 0.215 0.000 0.957 302 R CA 0.925 57.080 56.100 0.092 0.000 1.024 302 R CB -0.441 29.889 30.300 0.049 0.000 0.952 302 R HN 0.245 nan 8.270 nan 0.000 0.484 303 G N -0.266 108.595 108.800 0.102 0.000 2.645 303 G HA2 0.424 4.384 3.960 0.001 0.000 0.207 303 G HA3 0.424 4.384 3.960 0.001 0.000 0.207 303 G C 0.484 175.193 174.900 -0.318 0.000 1.145 303 G CA 0.581 45.690 45.100 0.014 0.000 0.831 303 G HN 0.495 nan 8.290 nan 0.000 0.563 304 G N -0.295 108.181 108.800 -0.541 0.000 2.320 304 G HA2 0.430 4.391 3.960 0.001 0.000 0.274 304 G HA3 0.430 4.391 3.960 0.001 0.000 0.274 304 G C -1.314 173.271 174.900 -0.524 0.000 1.324 304 G CA -0.065 44.497 45.100 -0.898 0.000 0.957 304 G HN 0.925 nan 8.290 nan 0.000 0.481 305 R N -0.955 119.304 120.500 -0.402 0.000 2.762 305 R HA 0.767 5.107 4.340 0.001 0.000 0.271 305 R C -1.873 174.288 176.300 -0.232 0.000 1.038 305 R CA -0.863 55.098 56.100 -0.232 0.000 0.906 305 R CB 0.628 30.874 30.300 -0.090 0.000 1.259 305 R HN 0.946 nan 8.270 nan 0.000 0.457 306 I N 0.864 121.347 120.570 -0.146 0.000 2.512 306 I HA 0.266 4.437 4.170 0.001 0.000 0.287 306 I C -0.680 175.364 176.117 -0.122 0.000 1.069 306 I CA -0.737 60.455 61.300 -0.181 0.000 1.056 306 I CB 2.546 40.487 38.000 -0.098 0.000 1.229 306 I HN 0.527 nan 8.210 nan 0.000 0.429 307 S N 3.728 119.333 115.700 -0.160 0.000 2.438 307 S HA 0.433 4.904 4.470 0.001 0.000 0.316 307 S C -0.035 174.497 174.600 -0.113 0.000 1.084 307 S CA -0.557 57.579 58.200 -0.107 0.000 1.107 307 S CB 1.285 64.428 63.200 -0.096 0.000 0.981 307 S HN 0.528 nan 8.310 nan 0.000 0.466 308 T N 2.921 117.429 114.554 -0.077 0.000 2.909 308 T HA 0.613 4.964 4.350 0.001 0.000 0.289 308 T C 0.031 174.698 174.700 -0.054 0.000 1.005 308 T CA -0.508 61.551 62.100 -0.068 0.000 1.084 308 T CB 1.162 70.005 68.868 -0.041 0.000 0.975 308 T HN 0.662 nan 8.240 nan 0.000 0.509 309 A N 3.514 126.302 122.820 -0.053 0.000 2.702 309 A HA 0.600 4.921 4.320 0.001 0.000 0.305 309 A C -0.141 177.435 177.584 -0.014 0.000 1.213 309 A CA -1.005 51.013 52.037 -0.032 0.000 0.745 309 A CB 0.121 19.100 19.000 -0.034 0.000 1.161 309 A HN 0.836 nan 8.150 nan 0.000 0.445 310 N N -0.277 118.419 118.700 -0.006 0.000 3.002 310 N HA 0.378 5.119 4.740 0.001 0.000 0.331 310 N C 0.647 176.162 175.510 0.009 0.000 1.384 310 N CA -0.393 52.669 53.050 0.020 0.000 0.780 310 N CB 0.037 38.534 38.487 0.017 0.000 1.492 310 N HN 0.457 nan 8.380 nan 0.000 0.608 311 Y N -2.345 117.886 120.300 -0.115 0.000 2.497 311 Y HA 0.094 4.645 4.550 0.001 0.000 0.292 311 Y C 1.483 177.325 175.900 -0.097 0.000 1.137 311 Y CA 0.968 58.995 58.100 -0.122 0.000 1.285 311 Y CB -0.475 37.884 38.460 -0.167 0.000 0.991 311 Y HN 0.440 nan 8.280 nan 0.000 0.556 312 H N 0.670 119.310 119.070 -0.717 0.000 2.423 312 H HA -0.066 4.490 4.556 0.001 0.000 0.297 312 H C 2.189 177.378 175.328 -0.231 0.000 1.075 312 H CA 1.932 57.652 56.048 -0.547 0.000 1.342 312 H CB -0.353 29.115 29.762 -0.490 0.000 1.395 312 H HN 0.627 nan 8.280 nan 0.000 0.530 313 T N -2.054 112.475 114.554 -0.043 0.000 3.037 313 T HA 0.139 4.489 4.350 0.001 0.000 0.252 313 T C 0.627 175.322 174.700 -0.008 0.000 1.073 313 T CA -0.013 62.074 62.100 -0.021 0.000 1.091 313 T CB 0.068 68.924 68.868 -0.020 0.000 0.935 313 T HN 0.015 nan 8.240 nan 0.000 0.488 314 L N 1.600 122.823 121.223 -0.001 0.000 2.563 314 L HA 0.508 4.848 4.340 0.001 0.000 0.259 314 L C -2.409 174.488 176.870 0.045 0.000 1.034 314 L CA -2.005 52.848 54.840 0.020 0.000 0.899 314 L CB 2.048 44.120 42.059 0.023 0.000 1.159 314 L HN -0.229 nan 8.230 nan 0.000 0.456 315 P HA -0.229 nan 4.420 nan 0.000 0.217 315 P C 1.650 178.994 177.300 0.073 0.000 1.158 315 P CA 1.360 64.508 63.100 0.080 0.000 0.887 315 P CB 0.199 31.933 31.700 0.057 0.000 0.792 316 I N -1.254 119.344 120.570 0.046 0.000 2.502 316 I HA -0.211 3.960 4.170 0.001 0.000 0.258 316 I C 1.830 177.968 176.117 0.034 0.000 1.172 316 I CA 1.316 62.634 61.300 0.031 0.000 1.430 316 I CB -0.807 37.205 38.000 0.020 0.000 1.086 316 I HN -0.113 nan 8.210 nan 0.000 0.440 317 L N -0.334 120.923 121.223 0.056 0.000 2.141 317 L HA -0.181 4.159 4.340 0.001 0.000 0.209 317 L C 2.605 179.496 176.870 0.035 0.000 1.094 317 L CA 1.164 56.040 54.840 0.059 0.000 0.763 317 L CB -0.675 41.436 42.059 0.086 0.000 0.908 317 L HN 0.233 nan 8.230 nan 0.000 0.437 318 R N -0.102 120.419 120.500 0.035 0.000 2.193 318 R HA -0.165 4.175 4.340 0.001 0.000 0.229 318 R C 2.196 178.457 176.300 -0.065 0.000 1.110 318 R CA 1.132 57.184 56.100 -0.080 0.000 0.988 318 R CB 0.065 30.298 30.300 -0.112 0.000 0.871 318 R HN 0.487 nan 8.270 nan 0.000 0.458 319 Q N -0.266 119.519 119.800 -0.025 0.000 2.033 319 Q HA -0.091 4.250 4.340 0.001 0.000 0.196 319 Q C 2.132 178.118 176.000 -0.023 0.000 0.970 319 Q CA 1.792 57.580 55.803 -0.025 0.000 0.828 319 Q CB 0.145 28.875 28.738 -0.014 0.000 0.895 319 Q HN 0.375 nan 8.270 nan 0.000 0.440 320 V N -1.778 118.130 119.914 -0.010 0.000 3.041 320 V HA 0.047 4.168 4.120 0.001 0.000 0.260 320 V C 0.442 176.538 176.094 0.003 0.000 1.105 320 V CA 0.417 62.715 62.300 -0.004 0.000 1.125 320 V CB -0.579 31.249 31.823 0.009 0.000 0.730 320 V HN 0.381 nan 8.190 nan 0.000 0.479 321 R N -0.072 120.425 120.500 -0.005 0.000 3.332 321 R HA -0.110 4.231 4.340 0.001 0.000 0.263 321 R C -0.666 175.655 176.300 0.036 0.000 1.053 321 R CA 0.690 56.785 56.100 -0.009 0.000 0.705 321 R CB -2.211 28.076 30.300 -0.021 0.000 1.166 321 R HN 0.590 nan 8.270 nan 0.000 0.427 322 L N -0.817 120.442 121.223 0.060 0.000 2.359 322 L HA 0.746 5.086 4.340 0.001 0.000 0.256 322 L C 0.242 177.160 176.870 0.079 0.000 1.026 322 L CA -0.854 54.051 54.840 0.108 0.000 0.828 322 L CB 2.466 44.633 42.059 0.179 0.000 1.406 322 L HN 0.328 nan 8.230 nan 0.000 0.413 323 S N -0.160 115.577 115.700 0.061 0.000 2.636 323 S HA 0.954 5.425 4.470 0.001 0.000 0.266 323 S C -1.291 173.280 174.600 -0.048 0.000 1.147 323 S CA -0.287 57.926 58.200 0.021 0.000 0.815 323 S CB 2.055 65.270 63.200 0.024 0.000 1.119 323 S HN 1.089 nan 8.310 nan 0.000 0.470 324 A N 0.090 122.847 122.820 -0.105 0.000 2.602 324 A HA 0.875 5.196 4.320 0.001 0.000 0.290 324 A C -1.720 175.735 177.584 -0.215 0.000 1.114 324 A CA -0.778 51.113 52.037 -0.244 0.000 0.683 324 A CB 1.505 20.256 19.000 -0.415 0.000 1.281 324 A HN 0.827 nan 8.150 nan 0.000 0.416 325 E N 0.655 120.689 120.200 -0.277 0.000 2.263 325 E HA 0.380 4.731 4.350 0.001 0.000 0.268 325 E C -1.179 175.191 176.600 -0.382 0.000 0.884 325 E CA -0.904 55.360 56.400 -0.227 0.000 0.766 325 E CB 2.294 31.939 29.700 -0.093 0.000 1.196 325 E HN 0.429 nan 8.360 nan 0.000 0.416 326 R N 2.087 122.331 120.500 -0.427 0.000 2.255 326 R HA 0.521 4.862 4.340 0.001 0.000 0.326 326 R C -0.721 175.137 176.300 -0.737 0.000 0.986 326 R CA -0.344 55.387 56.100 -0.616 0.000 0.847 326 R CB 1.185 31.229 30.300 -0.427 0.000 1.111 326 R HN 0.717 nan 8.270 nan 0.000 0.452 327 G N 1.637 109.607 108.800 -1.384 0.000 2.453 327 G HA2 0.575 4.536 3.960 0.001 0.000 0.323 327 G HA3 0.575 4.536 3.960 0.001 0.000 0.323 327 G C -1.409 172.591 174.900 -1.501 0.000 1.198 327 G CA -0.352 43.740 45.100 -1.680 0.000 0.959 327 G HN 0.363 nan 8.290 nan 0.000 0.482 328 V N 1.785 121.179 119.914 -0.868 0.000 2.623 328 V HA 0.495 4.616 4.120 0.001 0.000 0.304 328 V C -0.454 175.424 176.094 -0.359 0.000 1.054 328 V CA -0.555 61.437 62.300 -0.513 0.000 0.882 328 V CB 1.651 33.239 31.823 -0.391 0.000 1.002 328 V HN 0.620 nan 8.190 nan 0.000 0.424 329 L N 4.713 125.859 121.223 -0.127 0.000 2.362 329 L HA 0.618 4.959 4.340 0.001 0.000 0.275 329 L C -1.013 175.820 176.870 -0.061 0.000 0.998 329 L CA -0.684 54.120 54.840 -0.061 0.000 0.820 329 L CB 2.040 44.265 42.059 0.277 0.000 1.270 329 L HN 0.512 nan 8.230 nan 0.000 0.415 330 Y N 0.505 120.842 120.300 0.062 0.000 2.334 330 Y HA 0.214 4.765 4.550 0.001 0.000 0.325 330 Y C 1.023 176.959 175.900 0.061 0.000 1.308 330 Y CA -1.220 56.906 58.100 0.043 0.000 1.389 330 Y CB 0.711 39.173 38.460 0.004 0.000 1.328 330 Y HN 0.470 nan 8.280 nan 0.000 0.532 331 S N 2.125 117.970 115.700 0.242 0.000 2.642 331 S HA -0.132 4.339 4.470 0.001 0.000 0.308 331 S C 0.639 175.310 174.600 0.118 0.000 1.255 331 S CA 0.580 58.867 58.200 0.145 0.000 1.057 331 S CB -0.556 62.705 63.200 0.100 0.000 0.785 331 S HN 0.833 nan 8.310 nan 0.000 0.500 332 N N -1.073 117.681 118.700 0.089 0.000 2.732 332 N HA -0.250 4.490 4.740 0.001 0.000 0.250 332 N C 0.128 175.677 175.510 0.065 0.000 1.097 332 N CA 0.533 53.620 53.050 0.062 0.000 0.812 332 N CB -1.061 37.456 38.487 0.049 0.000 1.148 332 N HN 0.794 nan 8.380 nan 0.000 0.572 333 A N 0.793 123.666 122.820 0.089 0.000 2.371 333 A HA 0.554 4.875 4.320 0.001 0.000 0.257 333 A C 0.306 177.926 177.584 0.060 0.000 1.089 333 A CA -0.007 52.074 52.037 0.074 0.000 0.794 333 A CB 0.681 19.722 19.000 0.068 0.000 1.029 333 A HN 0.328 nan 8.150 nan 0.000 0.488 334 M N 2.986 122.612 119.600 0.045 0.000 2.464 334 M HA 0.547 5.028 4.480 0.001 0.000 0.308 334 M C -1.739 174.587 176.300 0.042 0.000 1.127 334 M CA -0.616 54.706 55.300 0.036 0.000 0.913 334 M CB 1.863 34.477 32.600 0.024 0.000 1.689 334 M HN 0.358 nan 8.290 nan 0.000 0.445 335 V N 4.330 124.273 119.914 0.048 0.000 2.406 335 V HA 0.497 4.617 4.120 0.001 0.000 0.272 335 V C 0.675 176.812 176.094 0.072 0.000 1.043 335 V CA -0.599 61.732 62.300 0.052 0.000 0.915 335 V CB 0.728 32.587 31.823 0.060 0.000 0.988 335 V HN 0.994 nan 8.190 nan 0.000 0.466 336 A N 9.052 131.902 122.820 0.052 0.000 2.492 336 A HA 0.375 4.696 4.320 0.001 0.000 0.236 336 A C -1.919 175.788 177.584 0.205 0.000 1.078 336 A CA -0.751 51.336 52.037 0.083 0.000 0.773 336 A CB -0.397 18.629 19.000 0.044 0.000 1.023 336 A HN 0.688 nan 8.150 nan 0.000 0.504 337 P HA 0.166 nan 4.420 nan 0.000 0.266 337 P C -0.606 176.862 177.300 0.281 0.000 1.195 337 P CA 0.970 64.177 63.100 0.179 0.000 0.768 337 P CB 0.363 32.120 31.700 0.095 0.000 0.838 338 H N 0.478 119.605 119.070 0.094 0.000 2.894 338 H HA 0.413 4.970 4.556 0.001 0.000 0.282 338 H C -1.653 173.793 175.328 0.196 0.000 1.448 338 H CA -0.789 55.320 56.048 0.102 0.000 1.158 338 H CB 0.296 30.060 29.762 0.002 0.000 1.818 338 H HN 0.526 nan 8.280 nan 0.000 0.493 339 Y N -1.191 119.121 120.300 0.020 0.000 2.597 339 Y HA 0.648 5.199 4.550 0.001 0.000 0.340 339 Y C -1.319 174.637 175.900 0.093 0.000 1.097 339 Y CA -1.058 57.035 58.100 -0.012 0.000 1.037 339 Y CB 1.476 39.947 38.460 0.018 0.000 1.305 339 Y HN 0.679 nan 8.280 nan 0.000 0.463 340 T N 2.450 117.070 114.554 0.110 0.000 2.767 340 T HA 0.280 4.631 4.350 0.001 0.000 0.284 340 T C 0.972 175.737 174.700 0.108 0.000 0.973 340 T CA -0.235 61.883 62.100 0.029 0.000 0.996 340 T CB 1.476 70.378 68.868 0.057 0.000 0.927 340 T HN 0.938 nan 8.240 nan 0.000 0.456 341 V N 2.861 122.797 119.914 0.037 0.000 2.719 341 V HA -0.016 4.105 4.120 0.001 0.000 0.252 341 V C 1.221 177.354 176.094 0.066 0.000 1.065 341 V CA 1.778 64.157 62.300 0.133 0.000 1.086 341 V CB -0.683 31.203 31.823 0.104 0.000 0.700 341 V HN 0.971 nan 8.190 nan 0.000 0.467 342 N N 0.339 119.049 118.700 0.016 0.000 2.200 342 N HA 0.258 4.999 4.740 0.001 0.000 0.224 342 N C 0.046 175.515 175.510 -0.068 0.000 1.179 342 N CA 0.311 53.350 53.050 -0.018 0.000 0.877 342 N CB 0.713 39.195 38.487 -0.008 0.000 1.072 342 N HN 0.641 nan 8.380 nan 0.000 0.519 343 S N -1.023 114.621 115.700 -0.094 0.000 2.627 343 S HA 0.238 4.708 4.470 0.001 0.000 0.268 343 S C -1.345 173.147 174.600 -0.179 0.000 1.130 343 S CA -0.985 57.109 58.200 -0.178 0.000 0.819 343 S CB 1.204 64.364 63.200 -0.068 0.000 1.100 343 S HN 0.084 nan 8.310 nan 0.000 0.465 344 H N 0.655 119.735 119.070 0.017 0.000 2.534 344 H HA 0.712 5.269 4.556 0.001 0.000 0.364 344 H C -0.294 175.031 175.328 -0.004 0.000 1.328 344 H CA -0.493 55.552 56.048 -0.004 0.000 1.415 344 H CB 1.087 30.851 29.762 0.004 0.000 1.573 344 H HN 0.646 nan 8.280 nan 0.000 0.601 345 S N 0.976 116.750 115.700 0.123 0.000 2.721 345 S HA 0.179 4.649 4.470 0.001 0.000 0.264 345 S C -0.478 174.140 174.600 0.030 0.000 1.161 345 S CA -0.707 57.520 58.200 0.044 0.000 1.113 345 S CB 0.760 63.983 63.200 0.038 0.000 1.079 345 S HN 0.301 nan 8.310 nan 0.000 0.479 346 V N 4.616 124.532 119.914 0.004 0.000 2.313 346 V HA 0.258 4.378 4.120 0.001 0.000 0.252 346 V C 0.356 176.498 176.094 0.081 0.000 1.112 346 V CA -0.186 62.137 62.300 0.038 0.000 0.984 346 V CB 0.124 31.955 31.823 0.014 0.000 1.157 346 V HN 0.883 nan 8.190 nan 0.000 0.493 347 M N 5.839 125.480 119.600 0.068 0.000 2.162 347 M HA 0.389 4.870 4.480 0.001 0.000 0.356 347 M C -1.193 175.201 176.300 0.157 0.000 1.303 347 M CA -0.340 55.010 55.300 0.083 0.000 1.116 347 M CB 0.614 33.189 32.600 -0.042 0.000 1.632 347 M HN 0.669 nan 8.290 nan 0.000 0.469 348 Y N 4.693 125.039 120.300 0.077 0.000 2.328 348 Y HA 0.646 5.197 4.550 0.001 0.000 0.336 348 Y C -0.970 174.980 175.900 0.084 0.000 0.960 348 Y CA -0.932 57.214 58.100 0.077 0.000 1.134 348 Y CB 1.232 39.739 38.460 0.080 0.000 1.166 348 Y HN 0.787 nan 8.280 nan 0.000 0.464 349 A N 3.969 126.466 122.820 -0.540 0.000 2.354 349 A HA 0.342 4.663 4.320 0.001 0.000 0.281 349 A C 0.937 178.161 177.584 -0.600 0.000 1.174 349 A CA 0.226 52.004 52.037 -0.432 0.000 0.828 349 A CB -0.105 18.849 19.000 -0.076 0.000 1.099 349 A HN 0.968 nan 8.150 nan 0.000 0.516 350 T N -0.118 114.280 114.554 -0.260 0.000 3.037 350 T HA 0.276 4.627 4.350 0.001 0.000 0.251 350 T C 0.660 175.372 174.700 0.020 0.000 1.079 350 T CA 0.282 62.389 62.100 0.011 0.000 1.067 350 T CB -0.031 68.925 68.868 0.147 0.000 0.948 350 T HN 0.731 nan 8.240 nan 0.000 0.496 351 R N -0.429 120.039 120.500 -0.053 0.000 2.664 351 R HA 0.470 4.810 4.340 0.001 0.000 0.260 351 R C 0.158 176.503 176.300 0.076 0.000 1.062 351 R CA 0.303 56.419 56.100 0.026 0.000 0.902 351 R CB 0.998 31.321 30.300 0.038 0.000 1.258 351 R HN 0.417 nan 8.270 nan 0.000 0.465 352 G N 2.495 111.379 108.800 0.141 0.000 2.552 352 G HA2 -0.314 3.647 3.960 0.001 0.000 0.265 352 G HA3 -0.314 3.647 3.960 0.001 0.000 0.265 352 G C -1.079 174.017 174.900 0.327 0.000 1.234 352 G CA 0.235 45.465 45.100 0.217 0.000 0.944 352 G HN 1.105 nan 8.290 nan 0.000 0.568 353 N N -0.439 118.505 118.700 0.406 0.000 3.046 353 N HA 0.747 5.488 4.740 0.001 0.000 0.243 353 N C -0.728 174.727 175.510 -0.091 0.000 1.452 353 N CA 0.210 53.418 53.050 0.264 0.000 0.882 353 N CB 1.358 39.912 38.487 0.112 0.000 1.425 353 N HN 2.420 nan 8.380 nan 0.000 0.517 354 A N 0.282 122.790 122.820 -0.520 0.000 2.610 354 A HA 0.636 4.957 4.320 0.001 0.000 0.291 354 A C -1.434 175.924 177.584 -0.378 0.000 1.086 354 A CA -0.788 50.894 52.037 -0.590 0.000 0.677 354 A CB 1.663 19.946 19.000 -1.195 0.000 1.278 354 A HN 0.747 nan 8.150 nan 0.000 0.414 355 R N 0.788 121.147 120.500 -0.235 0.000 2.265 355 R HA 0.626 4.967 4.340 0.001 0.000 0.319 355 R C -1.510 174.723 176.300 -0.112 0.000 1.006 355 R CA -0.176 55.850 56.100 -0.124 0.000 0.880 355 R CB 0.926 31.177 30.300 -0.082 0.000 1.077 355 R HN 0.530 nan 8.270 nan 0.000 0.454 356 V N 4.572 124.489 119.914 0.005 0.000 2.604 356 V HA 0.341 4.462 4.120 0.001 0.000 0.305 356 V C -0.540 175.681 176.094 0.210 0.000 1.043 356 V CA -0.813 61.524 62.300 0.063 0.000 0.888 356 V CB 1.899 33.739 31.823 0.029 0.000 0.995 356 V HN 0.769 nan 8.190 nan 0.000 0.429 357 Q N 2.803 122.676 119.800 0.123 0.000 2.330 357 Q HA 0.682 5.023 4.340 0.001 0.000 0.269 357 Q C -1.481 174.597 176.000 0.131 0.000 1.022 357 Q CA -0.575 55.307 55.803 0.131 0.000 0.796 357 Q CB 2.908 31.669 28.738 0.038 0.000 1.271 357 Q HN 0.585 nan 8.270 nan 0.000 0.450 358 V N 2.564 122.597 119.914 0.198 0.000 2.628 358 V HA 0.576 4.697 4.120 0.001 0.000 0.306 358 V C -0.283 175.881 176.094 0.117 0.000 1.045 358 V CA -0.710 61.691 62.300 0.167 0.000 0.905 358 V CB 2.029 34.001 31.823 0.247 0.000 0.997 358 V HN 0.494 nan 8.190 nan 0.000 0.436 359 V N 3.258 123.193 119.914 0.034 0.000 2.823 359 V HA 0.528 4.649 4.120 0.001 0.000 0.312 359 V C -0.593 175.319 176.094 -0.303 0.000 1.072 359 V CA -0.678 61.579 62.300 -0.072 0.000 0.937 359 V CB 2.224 34.008 31.823 -0.066 0.000 1.013 359 V HN 1.087 nan 8.190 nan 0.000 0.430 360 D N 1.704 121.855 120.400 -0.416 0.000 2.564 360 D HA 0.156 4.797 4.640 0.001 0.000 0.273 360 D C 0.795 176.757 176.300 -0.564 0.000 1.192 360 D CA -0.545 52.948 54.000 -0.845 0.000 1.080 360 D CB 0.272 40.642 40.800 -0.716 0.000 1.160 360 D HN 0.545 nan 8.370 nan 0.000 0.607 361 N N -1.450 116.846 118.700 -0.674 0.000 2.573 361 N HA -0.066 4.675 4.740 0.001 0.000 0.187 361 N C 0.549 175.763 175.510 -0.493 0.000 1.107 361 N CA 0.574 53.287 53.050 -0.562 0.000 0.918 361 N CB -0.384 37.738 38.487 -0.608 0.000 0.966 361 N HN 0.168 nan 8.380 nan 0.000 0.448 362 F N -0.143 119.711 119.950 -0.159 0.000 2.765 362 F HA 0.403 4.931 4.527 0.001 0.000 0.302 362 F C 1.874 177.617 175.800 -0.095 0.000 1.111 362 F CA -0.022 57.916 58.000 -0.103 0.000 1.359 362 F CB -0.004 38.947 39.000 -0.082 0.000 1.097 362 F HN 0.184 nan 8.300 nan 0.000 0.577 363 G N 0.131 108.934 108.800 0.005 0.000 2.148 363 G HA2 -0.239 3.722 3.960 0.001 0.000 0.254 363 G HA3 -0.239 3.722 3.960 0.001 0.000 0.254 363 G C 0.275 175.179 174.900 0.008 0.000 0.981 363 G CA -0.237 44.856 45.100 -0.013 0.000 0.670 363 G HN 0.288 nan 8.290 nan 0.000 0.528 364 Q N 0.221 120.041 119.800 0.032 0.000 2.230 364 Q HA 0.510 4.851 4.340 0.001 0.000 0.253 364 Q C 0.184 176.190 176.000 0.011 0.000 0.919 364 Q CA -0.179 55.643 55.803 0.031 0.000 0.908 364 Q CB 1.731 30.508 28.738 0.064 0.000 1.245 364 Q HN 0.281 nan 8.270 nan 0.000 0.437 365 S N 1.173 116.880 115.700 0.011 0.000 2.465 365 S HA 0.124 4.595 4.470 0.001 0.000 0.280 365 S C 0.830 175.461 174.600 0.052 0.000 1.232 365 S CA -0.497 57.715 58.200 0.020 0.000 1.066 365 S CB -0.087 63.110 63.200 -0.005 0.000 0.929 365 S HN 0.474 nan 8.310 nan 0.000 0.494 366 V N 3.566 123.547 119.914 0.110 0.000 3.621 366 V HA 0.576 4.697 4.120 0.001 0.000 0.285 366 V C -0.157 176.094 176.094 0.262 0.000 1.346 366 V CA -0.262 62.144 62.300 0.177 0.000 1.104 366 V CB -1.231 30.746 31.823 0.257 0.000 0.913 366 V HN 0.730 nan 8.190 nan 0.000 0.432 367 F N 0.762 120.742 119.950 0.049 0.000 2.680 367 F HA 0.602 5.130 4.527 0.001 0.000 0.315 367 F C -2.132 173.672 175.800 0.006 0.000 1.099 367 F CA -0.660 57.358 58.000 0.029 0.000 1.033 367 F CB 1.790 40.812 39.000 0.037 0.000 1.285 367 F HN 0.079 nan 8.300 nan 0.000 0.457 368 D N 4.024 123.893 120.400 -0.886 0.000 2.362 368 D HA 0.574 5.215 4.640 0.001 0.000 0.232 368 D C -0.548 175.341 176.300 -0.685 0.000 1.329 368 D CA 0.625 54.308 54.000 -0.528 0.000 0.944 368 D CB 0.763 41.416 40.800 -0.245 0.000 1.471 368 D HN 0.989 nan 8.370 nan 0.000 0.533 369 G N 1.580 109.971 108.800 -0.681 0.000 2.529 369 G HA2 0.382 4.343 3.960 0.001 0.000 0.238 369 G HA3 0.382 4.343 3.960 0.001 0.000 0.238 369 G C -1.390 173.481 174.900 -0.048 0.000 1.207 369 G CA -0.672 44.203 45.100 -0.376 0.000 0.928 369 G HN 0.119 nan 8.290 nan 0.000 0.495 370 E N -0.050 120.180 120.200 0.049 0.000 2.199 370 E HA 0.551 4.902 4.350 0.001 0.000 0.269 370 E C -1.038 175.647 176.600 0.141 0.000 0.899 370 E CA -0.570 55.870 56.400 0.065 0.000 0.772 370 E CB 2.720 32.429 29.700 0.014 0.000 1.155 370 E HN 0.223 nan 8.360 nan 0.000 0.408 371 V N 3.846 123.780 119.914 0.033 0.000 2.370 371 V HA 0.392 4.513 4.120 0.001 0.000 0.283 371 V C 0.094 176.254 176.094 0.110 0.000 1.023 371 V CA -0.643 61.694 62.300 0.063 0.000 0.857 371 V CB 1.035 32.858 31.823 0.000 0.000 0.985 371 V HN 0.472 nan 8.190 nan 0.000 0.443 372 R N 2.607 123.198 120.500 0.151 0.000 2.664 372 R HA 0.443 4.784 4.340 0.001 0.000 0.286 372 R C -0.058 176.336 176.300 0.155 0.000 0.967 372 R CA -0.906 55.294 56.100 0.166 0.000 0.933 372 R CB 1.556 31.926 30.300 0.117 0.000 1.146 372 R HN 0.698 nan 8.270 nan 0.000 0.468 373 E N 1.157 121.445 120.200 0.147 0.000 2.892 373 E HA -0.209 4.142 4.350 0.001 0.000 0.273 373 E C 0.637 177.263 176.600 0.043 0.000 0.921 373 E CA 1.972 58.405 56.400 0.055 0.000 0.968 373 E CB 0.342 30.094 29.700 0.086 0.000 0.941 373 E HN 0.833 nan 8.360 nan 0.000 0.492 374 G N 3.655 112.400 108.800 -0.092 0.000 2.176 374 G HA2 -0.277 3.684 3.960 0.001 0.000 0.253 374 G HA3 -0.277 3.684 3.960 0.001 0.000 0.253 374 G C 0.235 175.320 174.900 0.308 0.000 0.979 374 G CA 0.578 45.770 45.100 0.154 0.000 0.641 374 G HN 0.555 nan 8.290 nan 0.000 0.530 375 Q N -0.719 119.149 119.800 0.113 0.000 2.241 375 Q HA 0.716 5.057 4.340 0.001 0.000 0.262 375 Q C -0.594 175.543 176.000 0.229 0.000 1.014 375 Q CA -0.864 55.115 55.803 0.292 0.000 0.885 375 Q CB 2.778 31.639 28.738 0.205 0.000 1.311 375 Q HN 0.208 nan 8.270 nan 0.000 0.461 376 V N 1.966 122.078 119.914 0.331 0.000 2.531 376 V HA 0.400 4.521 4.120 0.001 0.000 0.301 376 V C -1.221 174.947 176.094 0.123 0.000 1.034 376 V CA -0.751 61.671 62.300 0.204 0.000 0.865 376 V CB 1.729 33.617 31.823 0.108 0.000 0.995 376 V HN 0.511 nan 8.190 nan 0.000 0.424 377 L N 5.590 126.834 121.223 0.036 0.000 2.343 377 L HA 0.635 4.976 4.340 0.001 0.000 0.278 377 L C -0.481 176.375 176.870 -0.023 0.000 0.996 377 L CA -0.261 54.515 54.840 -0.106 0.000 0.831 377 L CB 1.550 43.424 42.059 -0.309 0.000 1.232 377 L HN 0.677 nan 8.230 nan 0.000 0.413 378 M N 6.409 126.028 119.600 0.031 0.000 2.094 378 M HA 0.330 4.811 4.480 0.001 0.000 0.348 378 M C -1.001 175.275 176.300 -0.039 0.000 1.267 378 M CA -0.413 54.933 55.300 0.077 0.000 1.125 378 M CB 0.511 33.252 32.600 0.236 0.000 1.527 378 M HN 0.406 nan 8.290 nan 0.000 0.447 379 I N 8.621 129.167 120.570 -0.040 0.000 2.308 379 I HA 0.280 4.451 4.170 0.001 0.000 0.293 379 I C -2.104 173.964 176.117 -0.082 0.000 1.078 379 I CA -2.239 59.026 61.300 -0.059 0.000 1.292 379 I CB 0.320 38.303 38.000 -0.028 0.000 1.423 379 I HN 0.277 nan 8.210 nan 0.000 0.493 380 P HA -0.023 nan 4.420 nan 0.000 0.267 380 P C 0.004 177.204 177.300 -0.166 0.000 1.200 380 P CA -0.157 62.689 63.100 -0.424 0.000 0.772 380 P CB 0.478 31.333 31.700 -1.409 0.000 0.855 381 Q N 3.130 122.979 119.800 0.081 0.000 2.283 381 Q HA -0.120 4.220 4.340 0.001 0.000 0.301 381 Q C 0.234 176.349 176.000 0.191 0.000 1.063 381 Q CA 0.578 56.408 55.803 0.046 0.000 0.952 381 Q CB -0.200 28.450 28.738 -0.146 0.000 1.166 381 Q HN 0.424 nan 8.270 nan 0.000 0.381 382 N N 1.919 120.783 118.700 0.273 0.000 2.967 382 N HA -0.231 4.510 4.740 0.001 0.000 0.212 382 N C -0.886 174.797 175.510 0.288 0.000 0.884 382 N CA 1.173 54.399 53.050 0.293 0.000 1.030 382 N CB -1.513 37.069 38.487 0.158 0.000 1.018 382 N HN 0.554 nan 8.380 nan 0.000 0.596 383 F N 1.922 121.890 119.950 0.030 0.000 2.504 383 F HA 0.200 4.728 4.527 0.001 0.000 0.369 383 F C 1.385 177.185 175.800 0.001 0.000 1.082 383 F CA -0.754 57.242 58.000 -0.008 0.000 1.216 383 F CB 0.650 39.658 39.000 0.013 0.000 1.108 383 F HN -0.309 nan 8.300 nan 0.000 0.554 384 V N 5.078 125.030 119.914 0.063 0.000 2.775 384 V HA 0.304 4.425 4.120 0.001 0.000 0.299 384 V C 0.011 176.103 176.094 -0.003 0.000 1.062 384 V CA -0.366 61.957 62.300 0.037 0.000 1.063 384 V CB 1.428 33.248 31.823 -0.006 0.000 0.994 384 V HN 0.568 nan 8.190 nan 0.000 0.483 385 V N 5.411 125.255 119.914 -0.117 0.000 3.188 385 V HA 0.705 4.826 4.120 0.001 0.000 0.305 385 V C -1.331 174.705 176.094 -0.096 0.000 1.232 385 V CA -0.503 61.724 62.300 -0.121 0.000 1.043 385 V CB 2.399 34.111 31.823 -0.184 0.000 1.068 385 V HN 0.760 nan 8.190 nan 0.000 0.439 386 I N 3.457 124.014 120.570 -0.021 0.000 2.692 386 I HA 0.540 4.711 4.170 0.001 0.000 0.293 386 I C -0.916 175.196 176.117 -0.007 0.000 1.200 386 I CA -0.707 60.607 61.300 0.024 0.000 1.036 386 I CB 2.503 40.516 38.000 0.022 0.000 1.258 386 I HN 0.568 nan 8.210 nan 0.000 0.421 387 K N 4.709 125.101 120.400 -0.012 0.000 2.422 387 K HA 0.669 4.990 4.320 0.001 0.000 0.251 387 K C -1.038 175.522 176.600 -0.066 0.000 0.933 387 K CA -0.924 55.309 56.287 -0.090 0.000 0.798 387 K CB 3.181 35.577 32.500 -0.173 0.000 1.238 387 K HN 0.528 nan 8.250 nan 0.000 0.428 388 R N 1.405 121.840 120.500 -0.109 0.000 2.510 388 R HA 0.499 4.840 4.340 0.001 0.000 0.294 388 R C -1.299 174.943 176.300 -0.098 0.000 1.056 388 R CA -0.462 55.601 56.100 -0.062 0.000 0.918 388 R CB 1.491 31.766 30.300 -0.041 0.000 1.187 388 R HN 0.714 nan 8.270 nan 0.000 0.437 389 A N 2.960 125.771 122.820 -0.014 0.000 2.425 389 A HA 0.378 4.699 4.320 0.001 0.000 0.242 389 A C 0.408 178.006 177.584 0.023 0.000 1.077 389 A CA 0.010 52.065 52.037 0.030 0.000 0.781 389 A CB 0.408 19.519 19.000 0.184 0.000 1.020 389 A HN 0.988 nan 8.150 nan 0.000 0.494 390 S N 0.533 116.253 115.700 0.034 0.000 2.602 390 S HA 0.108 4.579 4.470 0.001 0.000 0.257 390 S C 0.403 175.042 174.600 0.065 0.000 1.250 390 S CA 0.295 58.517 58.200 0.036 0.000 0.986 390 S CB 0.120 63.345 63.200 0.042 0.000 1.040 390 S HN 0.627 nan 8.310 nan 0.000 0.562 391 D N 0.395 120.828 120.400 0.056 0.000 2.219 391 D HA -0.020 4.621 4.640 0.001 0.000 0.205 391 D C 1.857 178.205 176.300 0.079 0.000 0.970 391 D CA 0.941 54.977 54.000 0.060 0.000 0.851 391 D CB -0.287 40.540 40.800 0.045 0.000 0.943 391 D HN 0.505 nan 8.370 nan 0.000 0.488 392 R N 0.305 120.858 120.500 0.089 0.000 2.313 392 R HA 0.277 4.618 4.340 0.001 0.000 0.199 392 R C 1.120 177.505 176.300 0.142 0.000 0.958 392 R CA 0.439 56.602 56.100 0.105 0.000 1.047 392 R CB 0.212 30.573 30.300 0.101 0.000 0.955 392 R HN 0.100 nan 8.270 nan 0.000 0.481 393 G N 0.782 109.681 108.800 0.165 0.000 2.795 393 G HA2 -0.274 3.687 3.960 0.001 0.000 0.664 393 G HA3 -0.274 3.687 3.960 0.001 0.000 0.664 393 G C -0.930 174.155 174.900 0.307 0.000 1.381 393 G CA -0.603 44.627 45.100 0.216 0.000 0.853 393 G HN 0.220 nan 8.290 nan 0.000 0.545 394 F N 0.414 120.438 119.950 0.123 0.000 2.574 394 F HA 0.673 5.201 4.527 0.001 0.000 0.313 394 F C -0.404 175.540 175.800 0.241 0.000 1.130 394 F CA -0.735 57.366 58.000 0.168 0.000 0.936 394 F CB 1.786 40.882 39.000 0.161 0.000 1.219 394 F HN 0.615 nan 8.300 nan 0.000 0.445 395 E N 5.327 125.326 120.200 -0.334 0.000 2.256 395 E HA 0.395 4.746 4.350 0.001 0.000 0.268 395 E C -1.811 174.518 176.600 -0.450 0.000 0.877 395 E CA -0.745 55.445 56.400 -0.350 0.000 0.757 395 E CB 2.296 31.872 29.700 -0.208 0.000 1.183 395 E HN 0.585 nan 8.360 nan 0.000 0.418 396 W N 2.630 123.590 121.300 -0.567 0.000 3.042 396 W HA 0.692 5.353 4.660 0.001 0.000 0.342 396 W C -1.931 174.330 176.519 -0.431 0.000 1.240 396 W CA -1.159 55.888 57.345 -0.496 0.000 1.166 396 W CB 0.583 29.733 29.460 -0.516 0.000 1.469 396 W HN 0.354 nan 8.180 nan 0.000 0.579 397 I N 3.063 123.469 120.570 -0.274 0.000 2.439 397 I HA 0.712 4.883 4.170 0.001 0.000 0.283 397 I C -0.864 175.022 176.117 -0.385 0.000 1.023 397 I CA -1.467 59.453 61.300 -0.633 0.000 1.100 397 I CB 0.926 38.255 38.000 -1.118 0.000 1.238 397 I HN 0.751 nan 8.210 nan 0.000 0.445 398 A N 7.692 130.338 122.820 -0.290 0.000 2.253 398 A HA 0.633 4.954 4.320 0.001 0.000 0.316 398 A C -0.906 176.411 177.584 -0.445 0.000 1.327 398 A CA -0.341 51.591 52.037 -0.175 0.000 0.917 398 A CB -0.327 18.735 19.000 0.104 0.000 1.162 398 A HN 0.544 nan 8.150 nan 0.000 0.535 399 F N 2.546 122.262 119.950 -0.391 0.000 2.412 399 F HA 0.354 4.881 4.527 0.001 0.000 0.348 399 F C 0.883 176.360 175.800 -0.539 0.000 1.102 399 F CA 0.195 57.787 58.000 -0.680 0.000 1.196 399 F CB 1.122 39.160 39.000 -1.604 0.000 1.144 399 F HN 0.332 nan 8.300 nan 0.000 0.541 400 K N 0.932 121.216 120.400 -0.193 0.000 2.221 400 K HA 0.287 4.608 4.320 0.001 0.000 0.258 400 K C 0.245 176.866 176.600 0.035 0.000 0.944 400 K CA -0.512 55.738 56.287 -0.061 0.000 0.823 400 K CB 1.525 34.007 32.500 -0.031 0.000 1.113 400 K HN 0.648 nan 8.250 nan 0.000 0.431 401 T N -1.018 113.600 114.554 0.106 0.000 3.418 401 T HA 0.181 4.532 4.350 0.001 0.000 0.239 401 T C 0.063 174.805 174.700 0.070 0.000 0.905 401 T CA -0.376 61.823 62.100 0.166 0.000 0.929 401 T CB -0.864 68.142 68.868 0.231 0.000 1.121 401 T HN 0.639 nan 8.240 nan 0.000 0.608 402 N N 0.213 118.940 118.700 0.044 0.000 2.745 402 N HA 0.247 4.988 4.740 0.001 0.000 0.256 402 N C -0.222 175.297 175.510 0.016 0.000 1.268 402 N CA -0.607 52.448 53.050 0.009 0.000 0.887 402 N CB 1.519 39.998 38.487 -0.014 0.000 1.575 402 N HN 0.113 nan 8.380 nan 0.000 0.496 403 D N 0.502 120.895 120.400 -0.012 0.000 2.378 403 D HA -0.088 4.553 4.640 0.001 0.000 0.222 403 D C -0.244 176.126 176.300 0.115 0.000 0.980 403 D CA 0.947 54.959 54.000 0.019 0.000 0.907 403 D CB -0.047 40.705 40.800 -0.081 0.000 0.899 403 D HN 0.418 nan 8.370 nan 0.000 0.527 404 N N 0.056 118.803 118.700 0.078 0.000 2.839 404 N HA 0.230 4.971 4.740 0.001 0.000 0.230 404 N C -1.431 174.119 175.510 0.066 0.000 1.388 404 N CA -0.391 52.735 53.050 0.127 0.000 0.747 404 N CB 0.969 39.614 38.487 0.265 0.000 1.411 404 N HN 0.089 nan 8.380 nan 0.000 0.556 405 A N 3.807 126.651 122.820 0.040 0.000 2.451 405 A HA 0.382 4.703 4.320 0.001 0.000 0.266 405 A C 0.348 177.945 177.584 0.021 0.000 1.119 405 A CA 0.016 52.065 52.037 0.021 0.000 0.786 405 A CB -0.070 18.936 19.000 0.011 0.000 1.061 405 A HN 0.612 nan 8.150 nan 0.000 0.503 406 I N 2.750 123.327 120.570 0.011 0.000 2.315 406 I HA 0.278 4.449 4.170 0.001 0.000 0.291 406 I C 0.714 176.801 176.117 -0.050 0.000 1.006 406 I CA -0.135 61.161 61.300 -0.006 0.000 1.265 406 I CB 1.772 39.771 38.000 -0.001 0.000 1.387 406 I HN 0.642 nan 8.210 nan 0.000 0.475 407 T N 4.702 119.220 114.554 -0.060 0.000 2.758 407 T HA 0.370 4.720 4.350 0.001 0.000 0.285 407 T C -0.307 174.298 174.700 -0.159 0.000 0.981 407 T CA -0.651 61.391 62.100 -0.096 0.000 0.965 407 T CB 0.288 69.138 68.868 -0.030 0.000 0.927 407 T HN 0.606 nan 8.240 nan 0.000 0.448 408 N N 3.611 122.108 118.700 -0.338 0.000 2.479 408 N HA 0.468 5.209 4.740 0.001 0.000 0.285 408 N C -0.984 174.432 175.510 -0.157 0.000 1.075 408 N CA -0.838 52.034 53.050 -0.296 0.000 0.967 408 N CB 0.980 39.176 38.487 -0.484 0.000 1.137 408 N HN 0.381 nan 8.380 nan 0.000 0.472 409 L N 2.415 123.614 121.223 -0.041 0.000 2.343 409 L HA 0.224 4.565 4.340 0.001 0.000 0.275 409 L C 0.729 177.643 176.870 0.074 0.000 1.056 409 L CA -0.244 54.615 54.840 0.032 0.000 0.804 409 L CB 1.358 43.422 42.059 0.009 0.000 1.203 409 L HN 0.524 nan 8.230 nan 0.000 0.440 410 L N 1.942 123.228 121.223 0.106 0.000 2.357 410 L HA 0.430 4.771 4.340 0.001 0.000 0.211 410 L C 0.566 177.465 176.870 0.048 0.000 1.075 410 L CA 0.496 55.397 54.840 0.101 0.000 0.830 410 L CB -0.504 41.628 42.059 0.122 0.000 0.996 410 L HN 0.669 nan 8.230 nan 0.000 0.467 411 A N -1.519 121.324 122.820 0.038 0.000 2.381 411 A HA 0.763 5.083 4.320 0.001 0.000 0.299 411 A C -0.055 177.536 177.584 0.012 0.000 1.049 411 A CA 0.180 52.223 52.037 0.010 0.000 0.715 411 A CB 1.294 20.296 19.000 0.003 0.000 1.222 411 A HN 0.329 nan 8.150 nan 0.000 0.428 412 G N 0.752 109.556 108.800 0.005 0.000 2.369 412 G HA2 0.204 4.164 3.960 0.001 0.000 0.293 412 G HA3 0.204 4.164 3.960 0.001 0.000 0.293 412 G C 0.207 175.122 174.900 0.024 0.000 1.301 412 G CA -0.272 44.837 45.100 0.015 0.000 0.913 412 G HN 0.700 nan 8.290 nan 0.000 0.540 413 R N -1.210 119.310 120.500 0.033 0.000 2.103 413 R HA -0.030 4.311 4.340 0.001 0.000 0.242 413 R C 1.365 177.689 176.300 0.042 0.000 1.142 413 R CA 2.131 58.259 56.100 0.047 0.000 0.960 413 R CB -0.412 29.913 30.300 0.040 0.000 0.858 413 R HN 0.913 nan 8.270 nan 0.000 0.439 414 V N -1.373 118.556 119.914 0.025 0.000 2.284 414 V HA 0.509 4.630 4.120 0.001 0.000 0.274 414 V C -0.596 175.506 176.094 0.014 0.000 1.023 414 V CA -0.633 61.679 62.300 0.020 0.000 0.808 414 V CB 1.593 33.423 31.823 0.012 0.000 1.035 414 V HN -0.016 nan 8.190 nan 0.000 0.445 415 S N 2.595 118.305 115.700 0.015 0.000 2.704 415 S HA 0.484 4.955 4.470 0.001 0.000 0.296 415 S C 0.485 175.099 174.600 0.024 0.000 1.138 415 S CA -0.482 57.728 58.200 0.017 0.000 0.875 415 S CB 2.122 65.326 63.200 0.007 0.000 1.151 415 S HN 0.701 nan 8.310 nan 0.000 0.500 416 Q N 0.302 120.129 119.800 0.045 0.000 2.167 416 Q HA 0.050 4.390 4.340 0.001 0.000 0.202 416 Q C 1.875 177.898 176.000 0.037 0.000 0.970 416 Q CA 1.556 57.396 55.803 0.061 0.000 0.855 416 Q CB -0.325 28.478 28.738 0.108 0.000 0.911 416 Q HN 0.658 nan 8.270 nan 0.000 0.438 417 M N -0.362 119.247 119.600 0.015 0.000 2.086 417 M HA -0.126 4.355 4.480 0.001 0.000 0.261 417 M C 1.575 177.835 176.300 -0.067 0.000 1.067 417 M CA 1.540 56.824 55.300 -0.026 0.000 1.116 417 M CB -0.097 32.465 32.600 -0.064 0.000 1.348 417 M HN 0.001 nan 8.290 nan 0.000 0.407 418 R N -0.339 120.121 120.500 -0.066 0.000 2.105 418 R HA -0.112 4.229 4.340 0.001 0.000 0.239 418 R C 2.025 178.316 176.300 -0.014 0.000 1.135 418 R CA 1.380 57.440 56.100 -0.066 0.000 0.967 418 R CB -1.199 29.101 30.300 -0.000 0.000 0.861 418 R HN 0.452 nan 8.270 nan 0.000 0.442 419 M N 0.610 120.214 119.600 0.008 0.000 2.358 419 M HA -0.026 4.455 4.480 0.001 0.000 0.264 419 M C 0.748 177.061 176.300 0.022 0.000 1.064 419 M CA 0.684 55.998 55.300 0.023 0.000 1.093 419 M CB -0.541 32.077 32.600 0.030 0.000 1.401 419 M HN -0.005 nan 8.290 nan 0.000 0.440 420 L N 1.057 122.286 121.223 0.010 0.000 2.349 420 L HA 0.197 4.538 4.340 0.001 0.000 0.275 420 L C -2.045 174.834 176.870 0.014 0.000 1.115 420 L CA -1.850 53.001 54.840 0.017 0.000 0.820 420 L CB 0.185 42.261 42.059 0.028 0.000 1.135 420 L HN -0.122 nan 8.230 nan 0.000 0.445 421 P HA 0.069 nan 4.420 nan 0.000 0.271 421 P C 0.803 178.123 177.300 0.033 0.000 1.216 421 P CA -0.247 62.873 63.100 0.034 0.000 0.776 421 P CB 0.729 32.448 31.700 0.032 0.000 0.881 422 L N 2.117 123.365 121.223 0.042 0.000 2.079 422 L HA -0.191 4.150 4.340 0.001 0.000 0.210 422 L C 2.451 179.346 176.870 0.043 0.000 1.081 422 L CA 2.084 56.950 54.840 0.043 0.000 0.752 422 L CB -1.087 41.011 42.059 0.064 0.000 0.896 422 L HN 0.615 nan 8.230 nan 0.000 0.433 423 G N -0.616 108.207 108.800 0.038 0.000 2.440 423 G HA2 -0.205 3.756 3.960 0.001 0.000 0.218 423 G HA3 -0.205 3.756 3.960 0.001 0.000 0.218 423 G C 1.572 176.490 174.900 0.029 0.000 1.154 423 G CA 0.953 46.072 45.100 0.032 0.000 0.767 423 G HN 0.225 nan 8.290 nan 0.000 0.552 424 V N 0.935 120.866 119.914 0.028 0.000 2.323 424 V HA -0.064 4.057 4.120 0.001 0.000 0.244 424 V C 2.899 179.016 176.094 0.039 0.000 1.041 424 V CA 1.253 63.566 62.300 0.022 0.000 1.025 424 V CB -0.454 31.381 31.823 0.019 0.000 0.656 424 V HN 0.335 nan 8.190 nan 0.000 0.451 425 L N -0.214 121.053 121.223 0.073 0.000 2.079 425 L HA -0.198 4.142 4.340 0.001 0.000 0.210 425 L C 2.654 179.631 176.870 0.178 0.000 1.081 425 L CA 1.576 56.512 54.840 0.160 0.000 0.752 425 L CB -0.727 41.404 42.059 0.119 0.000 0.896 425 L HN 0.314 nan 8.230 nan 0.000 0.433 426 S N 0.038 115.796 115.700 0.097 0.000 2.351 426 S HA -0.169 4.302 4.470 0.001 0.000 0.220 426 S C 1.721 176.356 174.600 0.058 0.000 1.035 426 S CA 1.475 59.723 58.200 0.080 0.000 1.031 426 S CB -0.327 62.903 63.200 0.050 0.000 0.928 426 S HN 0.480 nan 8.310 nan 0.000 0.433 427 N N 0.752 119.465 118.700 0.021 0.000 2.289 427 N HA -0.003 4.738 4.740 0.001 0.000 0.184 427 N C 1.682 177.154 175.510 -0.064 0.000 1.016 427 N CA 0.868 53.911 53.050 -0.012 0.000 0.872 427 N CB -0.250 38.227 38.487 -0.017 0.000 0.973 427 N HN 0.419 nan 8.380 nan 0.000 0.433 428 M N -0.407 119.130 119.600 -0.104 0.000 2.077 428 M HA -0.152 4.329 4.480 0.001 0.000 0.261 428 M C 0.693 176.688 176.300 -0.508 0.000 1.070 428 M CA 1.633 56.723 55.300 -0.349 0.000 1.125 428 M CB -0.151 32.168 32.600 -0.469 0.000 1.339 428 M HN 0.089 nan 8.290 nan 0.000 0.409 429 Y N -0.725 119.570 120.300 -0.010 0.000 2.658 429 Y HA 0.321 4.872 4.550 0.001 0.000 0.276 429 Y C 0.025 175.921 175.900 -0.006 0.000 1.167 429 Y CA -0.601 57.494 58.100 -0.009 0.000 1.230 429 Y CB -0.155 38.299 38.460 -0.011 0.000 1.144 429 Y HN 0.109 nan 8.280 nan 0.000 0.529 430 R N 0.630 121.174 120.500 0.073 0.000 3.484 430 R HA -0.220 4.121 4.340 0.001 0.000 0.260 430 R C -0.165 176.175 176.300 0.067 0.000 1.053 430 R CA 1.092 57.223 56.100 0.050 0.000 0.703 430 R CB -2.540 27.778 30.300 0.030 0.000 1.089 430 R HN 0.640 nan 8.270 nan 0.000 0.459 431 I N -4.124 116.500 120.570 0.091 0.000 3.205 431 I HA 0.625 4.796 4.170 0.001 0.000 0.310 431 I C 0.657 176.806 176.117 0.052 0.000 1.089 431 I CA -1.070 60.271 61.300 0.068 0.000 1.023 431 I CB 1.891 39.933 38.000 0.071 0.000 1.269 431 I HN 0.048 nan 8.210 nan 0.000 0.512 432 S N 1.238 116.962 115.700 0.039 0.000 2.617 432 S HA 0.345 4.816 4.470 0.001 0.000 0.283 432 S C 1.105 175.727 174.600 0.036 0.000 1.189 432 S CA -0.873 57.348 58.200 0.034 0.000 1.036 432 S CB 1.637 64.853 63.200 0.027 0.000 1.014 432 S HN 0.825 nan 8.310 nan 0.000 0.522 433 R N 1.239 121.761 120.500 0.037 0.000 2.185 433 R HA -0.157 4.184 4.340 0.001 0.000 0.247 433 R C 1.350 177.678 176.300 0.046 0.000 1.159 433 R CA 1.568 57.694 56.100 0.042 0.000 0.988 433 R CB -1.204 29.121 30.300 0.041 0.000 0.871 433 R HN 0.833 nan 8.270 nan 0.000 0.458 434 E N 1.421 121.645 120.200 0.039 0.000 2.051 434 E HA -0.111 4.240 4.350 0.001 0.000 0.189 434 E C 1.689 178.311 176.600 0.036 0.000 0.979 434 E CA 0.852 57.276 56.400 0.041 0.000 0.803 434 E CB 0.131 29.850 29.700 0.031 0.000 0.761 434 E HN 0.565 nan 8.360 nan 0.000 0.451 435 E N 0.533 120.747 120.200 0.024 0.000 2.110 435 E HA -0.156 4.194 4.350 0.001 0.000 0.193 435 E C 2.028 178.625 176.600 -0.005 0.000 0.988 435 E CA 0.899 57.305 56.400 0.009 0.000 0.804 435 E CB -0.136 29.568 29.700 0.007 0.000 0.745 435 E HN 0.225 nan 8.360 nan 0.000 0.458 436 A N 1.356 124.180 122.820 0.007 0.000 1.972 436 A HA -0.282 4.039 4.320 0.001 0.000 0.219 436 A C 2.132 179.699 177.584 -0.030 0.000 1.169 436 A CA 1.708 53.739 52.037 -0.011 0.000 0.635 436 A CB -0.462 18.553 19.000 0.025 0.000 0.810 436 A HN 0.233 nan 8.150 nan 0.000 0.446 437 Q N -0.496 119.322 119.800 0.030 0.000 2.046 437 Q HA -0.147 4.194 4.340 0.001 0.000 0.200 437 Q C 2.252 178.304 176.000 0.087 0.000 0.975 437 Q CA 1.650 57.516 55.803 0.106 0.000 0.836 437 Q CB -0.153 28.685 28.738 0.166 0.000 0.896 437 Q HN 0.635 nan 8.270 nan 0.000 0.428 438 R N -0.151 120.377 120.500 0.048 0.000 2.237 438 R HA -0.048 4.293 4.340 0.001 0.000 0.219 438 R C 2.045 178.331 176.300 -0.023 0.000 1.080 438 R CA 0.581 56.700 56.100 0.032 0.000 0.995 438 R CB -0.090 30.220 30.300 0.017 0.000 0.875 438 R HN 0.379 nan 8.270 nan 0.000 0.462 439 L N 0.821 121.999 121.223 -0.075 0.000 2.068 439 L HA -0.141 4.199 4.340 0.001 0.000 0.204 439 L C 2.126 178.896 176.870 -0.167 0.000 1.076 439 L CA 1.702 56.463 54.840 -0.133 0.000 0.753 439 L CB -0.194 41.755 42.059 -0.182 0.000 0.910 439 L HN 0.292 nan 8.230 nan 0.000 0.439 440 K N -1.603 118.635 120.400 -0.270 0.000 2.137 440 K HA -0.127 4.194 4.320 0.001 0.000 0.202 440 K C 1.597 177.964 176.600 -0.388 0.000 1.052 440 K CA 1.031 57.072 56.287 -0.410 0.000 0.961 440 K CB -0.370 31.736 32.500 -0.657 0.000 0.741 440 K HN 0.186 nan 8.250 nan 0.000 0.452 441 Y N 1.519 121.817 120.300 -0.004 0.000 2.466 441 Y HA 0.281 4.832 4.550 0.001 0.000 0.272 441 Y C 2.366 178.264 175.900 -0.003 0.000 1.169 441 Y CA -0.005 58.094 58.100 -0.001 0.000 1.285 441 Y CB -0.183 38.278 38.460 0.001 0.000 1.078 441 Y HN 0.218 nan 8.280 nan 0.000 0.523 442 G N -0.431 108.417 108.800 0.081 0.000 2.448 442 G HA2 -0.200 3.760 3.960 0.001 0.000 0.219 442 G HA3 -0.200 3.760 3.960 0.001 0.000 0.219 442 G C 0.745 175.668 174.900 0.038 0.000 1.127 442 G CA 0.367 45.497 45.100 0.050 0.000 0.766 442 G HN 0.187 nan 8.290 nan 0.000 0.552 443 Q N 0.346 120.165 119.800 0.031 0.000 2.368 443 Q HA 0.325 4.666 4.340 0.001 0.000 0.256 443 Q C 1.204 177.231 176.000 0.044 0.000 0.980 443 Q CA -0.425 55.394 55.803 0.027 0.000 0.887 443 Q CB 1.201 29.945 28.738 0.010 0.000 1.221 443 Q HN 0.146 nan 8.270 nan 0.000 0.458 444 Q N 2.144 121.969 119.800 0.042 0.000 2.137 444 Q HA 0.029 4.370 4.340 0.001 0.000 0.198 444 Q C -0.175 175.847 176.000 0.036 0.000 0.960 444 Q CA 1.038 56.867 55.803 0.044 0.000 0.847 444 Q CB 0.297 29.057 28.738 0.037 0.000 0.915 444 Q HN 0.693 nan 8.270 nan 0.000 0.448 445 E N -0.348 119.869 120.200 0.029 0.000 2.855 445 E HA 0.104 4.455 4.350 0.001 0.000 0.259 445 E C 0.663 177.274 176.600 0.019 0.000 1.390 445 E CA -0.211 56.203 56.400 0.023 0.000 1.069 445 E CB 0.533 30.244 29.700 0.018 0.000 1.172 445 E HN -0.014 nan 8.360 nan 0.000 0.668 446 M N -0.020 119.587 119.600 0.012 0.000 2.318 446 M HA 0.220 4.700 4.480 0.001 0.000 0.215 446 M C 1.668 177.961 176.300 -0.012 0.000 0.683 446 M CA -0.134 55.168 55.300 0.003 0.000 1.862 446 M CB -0.749 31.854 32.600 0.004 0.000 1.122 446 M HN 0.344 nan 8.290 nan 0.000 0.905 447 R N 0.433 120.915 120.500 -0.030 0.000 2.127 447 R HA -0.072 4.268 4.340 0.001 0.000 0.228 447 R C 0.633 176.906 176.300 -0.044 0.000 1.125 447 R CA 1.411 57.473 56.100 -0.064 0.000 0.904 447 R CB -0.841 29.413 30.300 -0.078 0.000 0.831 447 R HN 0.503 nan 8.270 nan 0.000 0.431 448 V N 1.159 121.056 119.914 -0.029 0.000 2.607 448 V HA 0.372 4.492 4.120 0.001 0.000 0.289 448 V C -0.226 175.861 176.094 -0.010 0.000 1.053 448 V CA -0.461 61.831 62.300 -0.015 0.000 0.996 448 V CB 1.189 32.990 31.823 -0.036 0.000 0.995 448 V HN 0.110 nan 8.190 nan 0.000 0.476 449 L N 6.029 127.255 121.223 0.004 0.000 2.313 449 L HA 0.551 4.892 4.340 0.001 0.000 0.283 449 L C 0.463 177.343 176.870 0.017 0.000 1.013 449 L CA -0.567 54.280 54.840 0.011 0.000 0.816 449 L CB 1.991 44.061 42.059 0.018 0.000 1.236 449 L HN 0.924 nan 8.230 nan 0.000 0.419 450 S N 2.027 117.739 115.700 0.020 0.000 2.548 450 S HA 0.306 4.777 4.470 0.001 0.000 0.277 450 S C -2.400 172.223 174.600 0.038 0.000 1.315 450 S CA -1.341 56.881 58.200 0.036 0.000 1.050 450 S CB 0.435 63.656 63.200 0.036 0.000 0.918 450 S HN 0.415 nan 8.310 nan 0.000 0.497 451 P HA 0.001 nan 4.420 nan 0.000 0.214 451 P C 0.481 177.799 177.300 0.029 0.000 0.970 451 P CA 0.843 63.968 63.100 0.041 0.000 1.047 451 P CB -0.695 31.034 31.700 0.048 0.000 1.015 452 G N 2.973 111.787 108.800 0.024 0.000 4.379 452 G HA2 0.104 4.065 3.960 0.001 0.000 0.290 452 G HA3 0.104 4.065 3.960 0.001 0.000 0.290 452 G C 0.428 175.337 174.900 0.015 0.000 1.065 452 G CA -0.499 44.612 45.100 0.019 0.000 0.833 452 G HN 0.400 nan 8.290 nan 0.000 0.512 453 R N 0.000 120.509 120.500 0.015 0.000 2.786 453 R HA 0.000 4.341 4.340 0.001 0.000 0.208 453 R CA 0.000 56.106 56.100 0.011 0.000 0.921 453 R CB 0.000 30.307 30.300 0.012 0.000 0.687 453 R HN 0.000 nan 8.270 nan 0.000 0.535