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 2c7y_1_B DATA FIRST_RESID 39 DATA SEQUENCE SAAYQRTSLY GDDVVIVAAH RTPLCKSKRG NFKDTYPDDL LAPVLRALIE DATA SEQUENCE KTNLNPSEVG DIVVGTVLAP GSQRASECRM AAFYAGFPET VAVRTVNRQc DATA SEQUENCE SSGLQAVADV AAAIKAGFYD IGIGAGLESM TTNPMAWEXX XXXXXKKFAQ DATA SEQUENCE AQNcLLPMGV TSENVAQRFG VSRQEQDQAA VDSHRKAAAA TAAGKFKDEI DATA SEQUENCE IPVKTKLVDP KTGDEKPITV SVDDGIRPTT TLASLGKLKP VFKKDGTTTA DATA SEQUENCE GNSSQVSDGA GAVLLMKRSV AMQKGLPVLG VFRTFAAVGV DPAIMGIGPA DATA SEQUENCE VAIPAAVKAA GLELDDIDLF EINEAFASQF VYCRNKLGLD PEKINVNGGA DATA SEQUENCE MAIGHPLGAT GARCVATLLH EMKRRGKDCR FGVVSMCIGT GMGAAAVFER DATA SEQUENCE GDG 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 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.576 174.600 -0.040 0.000 1.055 39 S CA 0.000 58.181 58.200 -0.031 0.000 1.107 39 S CB 0.000 63.187 63.200 -0.022 0.000 0.593 40 A N 0.673 123.458 122.820 -0.059 0.000 2.294 40 A HA 0.945 5.265 4.320 -0.001 0.000 0.330 40 A C 1.218 178.771 177.584 -0.052 0.000 1.133 40 A CA -0.437 51.546 52.037 -0.091 0.000 0.836 40 A CB 0.701 19.607 19.000 -0.157 0.000 1.190 40 A HN 2.005 nan 8.150 nan 0.000 0.492 41 A N 0.018 122.809 122.820 -0.047 0.000 1.968 41 A HA 0.393 4.712 4.320 -0.001 0.000 0.217 41 A C 0.551 178.227 177.584 0.154 0.000 1.169 41 A CA 1.862 53.934 52.037 0.059 0.000 0.638 41 A CB -0.445 18.629 19.000 0.123 0.000 0.812 41 A HN 1.669 nan 8.150 nan 0.000 0.446 42 Y N -3.858 116.439 120.300 -0.006 0.000 2.725 42 Y HA 0.684 5.234 4.550 -0.001 0.000 0.333 42 Y C -0.988 174.903 175.900 -0.014 0.000 1.242 42 Y CA -1.304 56.792 58.100 -0.008 0.000 1.059 42 Y CB 0.718 39.178 38.460 -0.000 0.000 1.306 42 Y HN 0.097 nan 8.280 nan 0.000 0.454 43 Q N 2.388 122.256 119.800 0.113 0.000 2.295 43 Q HA 0.354 4.694 4.340 -0.001 0.000 0.268 43 Q C -1.764 174.307 176.000 0.119 0.000 1.010 43 Q CA -1.016 54.783 55.803 -0.007 0.000 0.856 43 Q CB 2.089 30.792 28.738 -0.059 0.000 1.349 43 Q HN 0.856 nan 8.270 nan 0.000 0.412 44 R N 2.603 123.172 120.500 0.115 0.000 2.312 44 R HA 0.486 4.825 4.340 -0.001 0.000 0.311 44 R C -1.485 174.830 176.300 0.025 0.000 1.004 44 R CA 0.193 56.358 56.100 0.108 0.000 0.902 44 R CB 1.279 31.689 30.300 0.184 0.000 1.073 44 R HN 0.695 nan 8.270 nan 0.000 0.457 45 T N 2.352 116.903 114.554 -0.005 0.000 2.824 45 T HA 0.340 4.689 4.350 -0.001 0.000 0.282 45 T C -0.786 173.850 174.700 -0.106 0.000 0.993 45 T CA -0.467 61.591 62.100 -0.071 0.000 0.967 45 T CB 1.543 70.354 68.868 -0.097 0.000 0.960 45 T HN 0.437 nan 8.240 nan 0.000 0.441 46 S N 3.002 118.590 115.700 -0.188 0.000 2.530 46 S HA 0.528 4.998 4.470 -0.001 0.000 0.322 46 S C -0.417 173.692 174.600 -0.819 0.000 1.085 46 S CA -0.737 57.187 58.200 -0.460 0.000 1.096 46 S CB 0.374 63.308 63.200 -0.444 0.000 0.988 46 S HN 0.479 nan 8.310 nan 0.000 0.466 47 L N 3.858 124.689 121.223 -0.653 0.000 2.282 47 L HA 0.453 4.793 4.340 -0.001 0.000 0.288 47 L C -0.371 176.180 176.870 -0.532 0.000 1.033 47 L CA -0.475 54.041 54.840 -0.539 0.000 0.807 47 L CB 0.739 42.638 42.059 -0.268 0.000 1.209 47 L HN 0.816 nan 8.230 nan 0.000 0.423 48 Y N 1.200 121.399 120.300 -0.168 0.000 2.481 48 Y HA 0.272 4.822 4.550 -0.001 0.000 0.247 48 Y C 1.704 177.550 175.900 -0.090 0.000 1.151 48 Y CA 0.081 58.083 58.100 -0.165 0.000 1.238 48 Y CB 0.716 39.029 38.460 -0.244 0.000 1.179 48 Y HN 0.901 nan 8.280 nan 0.000 0.524 49 G N 1.333 110.154 108.800 0.034 0.000 2.634 49 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.309 49 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.309 49 G C 0.539 175.482 174.900 0.072 0.000 1.265 49 G CA 0.905 46.025 45.100 0.033 0.000 0.998 49 G HN 0.361 nan 8.290 nan 0.000 0.551 50 D N 0.273 120.707 120.400 0.058 0.000 2.398 50 D HA 0.121 4.760 4.640 -0.001 0.000 0.210 50 D C 1.487 177.823 176.300 0.059 0.000 1.094 50 D CA 0.151 54.190 54.000 0.065 0.000 0.839 50 D CB 0.142 40.971 40.800 0.048 0.000 0.963 50 D HN 0.385 nan 8.370 nan 0.000 0.506 51 D N 0.167 120.598 120.400 0.051 0.000 2.234 51 D HA -0.033 4.607 4.640 -0.001 0.000 0.205 51 D C 0.230 176.548 176.300 0.031 0.000 0.962 51 D CA 0.577 54.596 54.000 0.032 0.000 0.855 51 D CB 1.139 41.948 40.800 0.015 0.000 0.951 51 D HN -0.027 nan 8.370 nan 0.000 0.500 52 V N 3.033 122.972 119.914 0.042 0.000 2.311 52 V HA 0.199 4.319 4.120 -0.001 0.000 0.275 52 V C 0.475 176.619 176.094 0.082 0.000 1.022 52 V CA -0.686 61.626 62.300 0.020 0.000 0.830 52 V CB 1.227 32.987 31.823 -0.106 0.000 1.012 52 V HN -0.075 nan 8.190 nan 0.000 0.452 53 V N 3.209 123.167 119.914 0.072 0.000 2.834 53 V HA 0.732 4.851 4.120 -0.001 0.000 0.313 53 V C -0.366 175.773 176.094 0.075 0.000 1.060 53 V CA -0.843 61.507 62.300 0.082 0.000 0.989 53 V CB 1.933 33.788 31.823 0.054 0.000 1.041 53 V HN 0.543 nan 8.190 nan 0.000 0.459 54 I N 2.863 123.468 120.570 0.058 0.000 2.321 54 I HA 0.416 4.586 4.170 -0.001 0.000 0.291 54 I C 0.878 176.984 176.117 -0.019 0.000 0.998 54 I CA -0.055 61.251 61.300 0.010 0.000 1.227 54 I CB 1.882 39.855 38.000 -0.046 0.000 1.368 54 I HN 0.689 nan 8.210 nan 0.000 0.466 55 V N 2.833 122.742 119.914 -0.008 0.000 3.621 55 V HA 0.705 4.825 4.120 -0.001 0.000 0.263 55 V C 0.618 176.702 176.094 -0.016 0.000 1.272 55 V CA 0.384 62.680 62.300 -0.006 0.000 1.080 55 V CB -0.224 31.612 31.823 0.021 0.000 0.816 55 V HN 0.682 nan 8.190 nan 0.000 0.451 56 A N -0.262 122.543 122.820 -0.025 0.000 2.574 56 A HA 0.951 5.271 4.320 -0.001 0.000 0.297 56 A C -0.795 176.733 177.584 -0.094 0.000 1.062 56 A CA 0.007 52.021 52.037 -0.038 0.000 0.686 56 A CB 1.632 20.685 19.000 0.088 0.000 1.285 56 A HN 1.617 nan 8.150 nan 0.000 0.403 57 A N 2.237 124.924 122.820 -0.223 0.000 2.466 57 A HA 0.757 5.077 4.320 -0.001 0.000 0.284 57 A C -1.203 176.216 177.584 -0.275 0.000 1.049 57 A CA -0.400 51.529 52.037 -0.179 0.000 0.760 57 A CB 0.891 19.767 19.000 -0.207 0.000 1.274 57 A HN 0.916 nan 8.150 nan 0.000 0.412 58 H N 0.809 119.927 119.070 0.079 0.000 2.977 58 H HA 0.757 5.313 4.556 -0.001 0.000 0.350 58 H C -0.331 175.006 175.328 0.016 0.000 1.238 58 H CA -0.370 55.707 56.048 0.050 0.000 1.124 58 H CB 2.334 32.118 29.762 0.036 0.000 1.866 58 H HN 0.946 nan 8.280 nan 0.000 0.550 59 R N -0.861 119.734 120.500 0.158 0.000 2.710 59 R HA 0.417 4.757 4.340 -0.001 0.000 0.270 59 R C -0.808 175.523 176.300 0.052 0.000 1.021 59 R CA -0.838 55.303 56.100 0.069 0.000 0.889 59 R CB 1.090 31.404 30.300 0.022 0.000 1.243 59 R HN 0.632 nan 8.270 nan 0.000 0.464 60 T N -0.638 113.942 114.554 0.043 0.000 2.813 60 T HA 0.351 4.701 4.350 -0.001 0.000 0.297 60 T C -2.111 172.643 174.700 0.090 0.000 1.036 60 T CA -1.373 60.775 62.100 0.080 0.000 1.044 60 T CB 0.604 69.520 68.868 0.079 0.000 0.993 60 T HN 0.387 nan 8.240 nan 0.000 0.535 61 P HA 0.212 nan 4.420 nan 0.000 0.269 61 P C -0.659 176.717 177.300 0.127 0.000 1.217 61 P CA -0.275 62.849 63.100 0.040 0.000 0.783 61 P CB 0.296 31.977 31.700 -0.030 0.000 0.898 62 L N 1.752 122.965 121.223 -0.017 0.000 2.295 62 L HA 0.443 4.783 4.340 -0.001 0.000 0.285 62 L C -0.456 176.370 176.870 -0.073 0.000 1.035 62 L CA -0.501 54.353 54.840 0.023 0.000 0.806 62 L CB 1.181 43.226 42.059 -0.023 0.000 1.214 62 L HN 0.345 nan 8.230 nan 0.000 0.426 63 C N 2.427 121.707 119.300 -0.033 0.000 2.498 63 C HA 0.291 4.751 4.460 -0.001 0.000 0.316 63 C C 0.352 175.332 174.990 -0.017 0.000 1.209 63 C CA -1.243 57.690 59.018 -0.141 0.000 1.518 63 C CB 1.704 29.194 27.740 -0.417 0.000 2.147 63 C HN 0.712 nan 8.230 nan 0.000 0.483 64 K N 1.809 122.190 120.400 -0.032 0.000 2.504 64 K HA -0.001 4.319 4.320 -0.001 0.000 0.278 64 K C 1.211 177.827 176.600 0.028 0.000 1.025 64 K CA 0.389 56.679 56.287 0.004 0.000 1.093 64 K CB 0.458 32.956 32.500 -0.003 0.000 0.873 64 K HN 0.788 nan 8.250 nan 0.000 0.483 65 S N 3.211 118.942 115.700 0.050 0.000 2.368 65 S HA -0.145 4.324 4.470 -0.001 0.000 0.225 65 S C 0.502 175.132 174.600 0.051 0.000 1.030 65 S CA 1.124 59.364 58.200 0.067 0.000 0.999 65 S CB -0.052 63.195 63.200 0.078 0.000 0.844 65 S HN 0.564 nan 8.310 nan 0.000 0.459 66 K N 1.218 121.642 120.400 0.040 0.000 2.171 66 K HA 0.210 4.530 4.320 -0.001 0.000 0.274 66 K C -0.159 176.443 176.600 0.004 0.000 1.110 66 K CA -0.047 56.251 56.287 0.018 0.000 0.952 66 K CB -0.203 32.306 32.500 0.015 0.000 1.309 66 K HN 0.108 nan 8.250 nan 0.000 0.414 67 R N 0.785 121.286 120.500 0.002 0.000 3.862 67 R HA -0.126 4.214 4.340 -0.001 0.000 0.398 67 R C 0.514 176.803 176.300 -0.019 0.000 1.110 67 R CA 0.440 56.535 56.100 -0.009 0.000 1.010 67 R CB -2.056 28.235 30.300 -0.015 0.000 1.613 67 R HN 0.764 nan 8.270 nan 0.000 0.530 68 G N -0.043 108.747 108.800 -0.017 0.000 2.621 68 G HA2 0.146 4.106 3.960 -0.001 0.000 0.271 68 G HA3 0.146 4.106 3.960 -0.001 0.000 0.271 68 G C 0.691 175.548 174.900 -0.071 0.000 1.236 68 G CA -0.387 44.681 45.100 -0.054 0.000 0.958 68 G HN 0.117 nan 8.290 nan 0.000 0.512 69 N N -0.791 117.805 118.700 -0.173 0.000 2.521 69 N HA 0.028 4.768 4.740 -0.001 0.000 0.188 69 N C 0.804 176.254 175.510 -0.100 0.000 1.146 69 N CA 0.398 53.334 53.050 -0.190 0.000 0.893 69 N CB 0.010 38.321 38.487 -0.294 0.000 0.975 69 N HN 0.485 nan 8.380 nan 0.000 0.451 70 F N 0.467 120.396 119.950 -0.035 0.000 2.668 70 F HA 0.160 4.687 4.527 -0.001 0.000 0.301 70 F C 1.739 177.513 175.800 -0.044 0.000 1.106 70 F CA -0.565 57.410 58.000 -0.042 0.000 1.289 70 F CB 0.526 39.508 39.000 -0.030 0.000 1.006 70 F HN 0.024 nan 8.300 nan 0.000 0.535 71 K N -0.370 120.100 120.400 0.116 0.000 2.283 71 K HA -0.097 4.222 4.320 -0.001 0.000 0.202 71 K C 0.067 176.677 176.600 0.016 0.000 1.048 71 K CA 1.422 57.744 56.287 0.058 0.000 0.948 71 K CB -0.048 32.467 32.500 0.026 0.000 0.742 71 K HN 0.162 nan 8.250 nan 0.000 0.458 72 D N 1.271 121.663 120.400 -0.013 0.000 2.501 72 D HA 0.073 4.713 4.640 -0.001 0.000 0.226 72 D C -0.557 175.604 176.300 -0.230 0.000 1.198 72 D CA 0.050 53.982 54.000 -0.112 0.000 0.830 72 D CB 1.067 41.814 40.800 -0.088 0.000 1.014 72 D HN 0.079 nan 8.370 nan 0.000 0.496 73 T N 0.936 115.401 114.554 -0.148 0.000 2.779 73 T HA 0.275 4.625 4.350 -0.001 0.000 0.280 73 T C -0.173 174.425 174.700 -0.170 0.000 0.987 73 T CA -0.517 61.456 62.100 -0.212 0.000 0.966 73 T CB 1.143 69.935 68.868 -0.127 0.000 0.933 73 T HN -0.123 nan 8.240 nan 0.000 0.442 74 Y N 3.128 123.384 120.300 -0.074 0.000 2.326 74 Y HA 0.247 4.796 4.550 -0.001 0.000 0.333 74 Y C -1.426 174.412 175.900 -0.104 0.000 1.240 74 Y CA -2.306 55.753 58.100 -0.069 0.000 1.365 74 Y CB 0.012 38.437 38.460 -0.059 0.000 1.289 74 Y HN 0.463 nan 8.280 nan 0.000 0.548 75 P HA -0.189 nan 4.420 nan 0.000 0.216 75 P C 1.098 178.382 177.300 -0.027 0.000 1.153 75 P CA 2.190 65.292 63.100 0.003 0.000 0.858 75 P CB 0.178 31.885 31.700 0.012 0.000 0.789 76 D N -0.982 119.418 120.400 0.000 0.000 2.218 76 D HA -0.177 4.462 4.640 -0.001 0.000 0.204 76 D C 0.842 177.119 176.300 -0.038 0.000 0.976 76 D CA 1.014 55.006 54.000 -0.013 0.000 0.853 76 D CB -0.824 39.981 40.800 0.008 0.000 0.939 76 D HN 0.145 nan 8.370 nan 0.000 0.481 77 D N 0.032 120.400 120.400 -0.053 0.000 2.363 77 D HA 0.097 4.737 4.640 -0.001 0.000 0.226 77 D C 1.988 178.187 176.300 -0.170 0.000 1.020 77 D CA 0.086 54.027 54.000 -0.099 0.000 0.892 77 D CB 0.475 41.216 40.800 -0.098 0.000 0.900 77 D HN 0.379 nan 8.370 nan 0.000 0.531 78 L N -0.593 120.517 121.223 -0.188 0.000 2.349 78 L HA 0.042 4.381 4.340 -0.001 0.000 0.200 78 L C 2.016 178.809 176.870 -0.129 0.000 1.064 78 L CA 0.112 54.803 54.840 -0.248 0.000 0.821 78 L CB -0.062 41.804 42.059 -0.321 0.000 1.027 78 L HN 0.007 nan 8.230 nan 0.000 0.476 79 L N 0.614 121.787 121.223 -0.083 0.000 2.072 79 L HA 0.038 4.377 4.340 -0.001 0.000 0.205 79 L C 2.601 179.462 176.870 -0.016 0.000 1.079 79 L CA 1.847 56.659 54.840 -0.046 0.000 0.752 79 L CB -0.663 41.369 42.059 -0.046 0.000 0.906 79 L HN 0.133 nan 8.230 nan 0.000 0.436 80 A N 0.880 123.698 122.820 -0.004 0.000 1.883 80 A HA -0.116 4.203 4.320 -0.001 0.000 0.217 80 A C -0.089 177.518 177.584 0.038 0.000 1.186 80 A CA 2.021 54.085 52.037 0.044 0.000 0.624 80 A CB -2.186 16.857 19.000 0.072 0.000 0.822 80 A HN 0.498 nan 8.150 nan 0.000 0.444 81 P HA -0.042 nan 4.420 nan 0.000 0.223 81 P C 1.452 178.750 177.300 -0.004 0.000 1.151 81 P CA 1.124 64.219 63.100 -0.007 0.000 0.787 81 P CB -0.126 31.556 31.700 -0.030 0.000 0.788 82 V N 0.189 120.106 119.914 0.005 0.000 2.407 82 V HA -0.149 3.971 4.120 -0.001 0.000 0.245 82 V C 2.753 178.886 176.094 0.066 0.000 1.041 82 V CA 1.219 63.536 62.300 0.028 0.000 1.040 82 V CB -1.099 30.742 31.823 0.031 0.000 0.671 82 V HN 0.003 nan 8.190 nan 0.000 0.455 83 L N -0.131 121.138 121.223 0.077 0.000 2.046 83 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 83 L C 2.747 179.747 176.870 0.217 0.000 1.077 83 L CA 1.615 56.547 54.840 0.153 0.000 0.747 83 L CB -0.572 41.582 42.059 0.157 0.000 0.896 83 L HN 0.272 nan 8.230 nan 0.000 0.432 84 R N 0.647 121.229 120.500 0.136 0.000 2.115 84 R HA -0.086 4.253 4.340 -0.001 0.000 0.230 84 R C 2.115 178.428 176.300 0.022 0.000 1.111 84 R CA 1.517 57.653 56.100 0.061 0.000 0.976 84 R CB -0.499 29.815 30.300 0.023 0.000 0.870 84 R HN 0.319 nan 8.270 nan 0.000 0.445 85 A N 0.183 123.010 122.820 0.012 0.000 1.968 85 A HA 0.008 4.328 4.320 -0.001 0.000 0.217 85 A C 2.129 179.734 177.584 0.036 0.000 1.169 85 A CA 0.976 52.992 52.037 -0.036 0.000 0.638 85 A CB -0.430 18.474 19.000 -0.160 0.000 0.812 85 A HN 0.322 nan 8.150 nan 0.000 0.446 86 L N -0.364 120.926 121.223 0.111 0.000 2.012 86 L HA -0.208 4.132 4.340 -0.001 0.000 0.210 86 L C 2.408 179.338 176.870 0.100 0.000 1.073 86 L CA 0.950 55.879 54.840 0.149 0.000 0.748 86 L CB -0.643 41.512 42.059 0.160 0.000 0.891 86 L HN 0.281 nan 8.230 nan 0.000 0.431 87 I N 0.239 120.853 120.570 0.074 0.000 2.142 87 I HA -0.257 3.912 4.170 -0.001 0.000 0.240 87 I C 2.519 178.629 176.117 -0.012 0.000 1.078 87 I CA 1.584 62.887 61.300 0.005 0.000 1.343 87 I CB -1.016 36.925 38.000 -0.098 0.000 1.046 87 I HN 0.314 nan 8.210 nan 0.000 0.405 88 E N 0.386 120.577 120.200 -0.015 0.000 2.106 88 E HA -0.189 4.161 4.350 -0.001 0.000 0.192 88 E C 2.103 178.703 176.600 -0.000 0.000 0.984 88 E CA 0.902 57.289 56.400 -0.021 0.000 0.806 88 E CB -0.018 29.663 29.700 -0.031 0.000 0.750 88 E HN 0.430 nan 8.360 nan 0.000 0.458 89 K N -0.020 120.394 120.400 0.023 0.000 2.283 89 K HA -0.061 4.259 4.320 -0.001 0.000 0.202 89 K C 1.865 178.494 176.600 0.048 0.000 1.048 89 K CA 1.523 57.839 56.287 0.049 0.000 0.948 89 K CB 0.102 32.666 32.500 0.107 0.000 0.742 89 K HN 0.212 nan 8.250 nan 0.000 0.458 90 T N -2.089 112.490 114.554 0.041 0.000 3.054 90 T HA 0.094 4.444 4.350 -0.001 0.000 0.255 90 T C 0.221 174.932 174.700 0.017 0.000 1.035 90 T CA -0.476 61.644 62.100 0.034 0.000 0.941 90 T CB -0.028 68.866 68.868 0.044 0.000 1.026 90 T HN 0.043 nan 8.240 nan 0.000 0.533 91 N N 1.097 119.800 118.700 0.006 0.000 2.716 91 N HA -0.130 4.610 4.740 -0.001 0.000 0.250 91 N C -0.666 174.836 175.510 -0.013 0.000 1.033 91 N CA 0.253 53.298 53.050 -0.008 0.000 0.727 91 N CB -1.292 37.192 38.487 -0.005 0.000 0.950 91 N HN 0.446 nan 8.380 nan 0.000 0.541 92 L N 0.977 122.191 121.223 -0.016 0.000 2.307 92 L HA 0.357 4.697 4.340 -0.001 0.000 0.282 92 L C 0.510 177.348 176.870 -0.054 0.000 1.051 92 L CA -0.628 54.203 54.840 -0.016 0.000 0.804 92 L CB 1.124 43.189 42.059 0.010 0.000 1.197 92 L HN 0.082 nan 8.230 nan 0.000 0.431 93 N N 6.360 125.031 118.700 -0.047 0.000 2.438 93 N HA 0.124 4.864 4.740 -0.001 0.000 0.267 93 N C -1.840 173.612 175.510 -0.097 0.000 1.222 93 N CA -1.527 51.479 53.050 -0.073 0.000 0.930 93 N CB 0.920 39.383 38.487 -0.041 0.000 1.083 93 N HN 0.404 nan 8.380 nan 0.000 0.476 94 P HA -0.156 nan 4.420 nan 0.000 0.219 94 P C 0.876 178.149 177.300 -0.045 0.000 1.146 94 P CA 1.122 64.008 63.100 -0.357 0.000 0.808 94 P CB -0.049 31.126 31.700 -0.875 0.000 0.779 95 S N -0.505 115.176 115.700 -0.031 0.000 2.507 95 S HA -0.095 4.375 4.470 -0.001 0.000 0.235 95 S C 1.671 176.299 174.600 0.047 0.000 0.988 95 S CA 0.658 58.879 58.200 0.034 0.000 0.944 95 S CB -0.969 62.238 63.200 0.013 0.000 0.762 95 S HN 0.264 nan 8.310 nan 0.000 0.526 96 E N 0.735 120.960 120.200 0.041 0.000 2.481 96 E HA 0.115 4.465 4.350 -0.001 0.000 0.195 96 E C -0.393 176.246 176.600 0.064 0.000 1.047 96 E CA 0.005 56.434 56.400 0.049 0.000 0.867 96 E CB 0.211 29.934 29.700 0.039 0.000 0.858 96 E HN 0.358 nan 8.360 nan 0.000 0.513 97 V N 1.182 121.152 119.914 0.095 0.000 2.488 97 V HA 0.084 4.204 4.120 -0.001 0.000 0.277 97 V C 1.343 177.407 176.094 -0.050 0.000 1.046 97 V CA 0.366 62.706 62.300 0.066 0.000 0.986 97 V CB 1.359 33.301 31.823 0.199 0.000 0.989 97 V HN 0.234 nan 8.190 nan 0.000 0.475 98 G N 3.121 111.794 108.800 -0.212 0.000 2.683 98 G HA2 0.087 4.046 3.960 -0.001 0.000 0.213 98 G HA3 0.087 4.046 3.960 -0.001 0.000 0.213 98 G C 0.116 174.653 174.900 -0.605 0.000 1.142 98 G CA 0.366 45.228 45.100 -0.396 0.000 0.793 98 G HN 0.682 nan 8.290 nan 0.000 0.534 99 D N -1.072 118.967 120.400 -0.603 0.000 2.787 99 D HA 0.306 4.946 4.640 -0.001 0.000 0.215 99 D C -1.306 174.820 176.300 -0.290 0.000 1.246 99 D CA -0.557 53.166 54.000 -0.461 0.000 0.798 99 D CB 1.305 41.709 40.800 -0.659 0.000 1.649 99 D HN -0.048 nan 8.370 nan 0.000 0.507 100 I N 2.642 123.075 120.570 -0.229 0.000 2.418 100 I HA 0.458 4.628 4.170 -0.001 0.000 0.287 100 I C -0.515 175.523 176.117 -0.133 0.000 1.008 100 I CA -1.059 60.114 61.300 -0.212 0.000 1.104 100 I CB 1.972 39.774 38.000 -0.330 0.000 1.264 100 I HN 0.086 nan 8.210 nan 0.000 0.438 101 V N 7.135 127.000 119.914 -0.081 0.000 2.409 101 V HA 0.429 4.549 4.120 -0.001 0.000 0.291 101 V C -0.129 175.940 176.094 -0.041 0.000 1.020 101 V CA -0.674 61.601 62.300 -0.042 0.000 0.848 101 V CB 2.095 33.918 31.823 0.000 0.000 0.990 101 V HN 0.404 nan 8.190 nan 0.000 0.430 102 V N 3.364 123.253 119.914 -0.042 0.000 2.448 102 V HA 0.644 4.763 4.120 -0.001 0.000 0.295 102 V C 0.786 176.872 176.094 -0.013 0.000 1.025 102 V CA -0.542 61.736 62.300 -0.036 0.000 0.859 102 V CB 1.833 33.622 31.823 -0.056 0.000 0.988 102 V HN 0.941 nan 8.190 nan 0.000 0.431 103 G N 1.871 110.671 108.800 0.001 0.000 2.351 103 G HA2 0.494 4.454 3.960 -0.001 0.000 0.287 103 G HA3 0.494 4.454 3.960 -0.001 0.000 0.287 103 G C -0.151 174.754 174.900 0.008 0.000 1.159 103 G CA 0.005 45.114 45.100 0.016 0.000 0.929 103 G HN 0.737 nan 8.290 nan 0.000 0.435 104 T N 1.496 116.055 114.554 0.008 0.000 3.395 104 T HA 0.327 4.676 4.350 -0.001 0.000 0.330 104 T C 0.297 175.000 174.700 0.006 0.000 1.076 104 T CA -0.441 61.660 62.100 0.001 0.000 1.070 104 T CB 1.578 70.440 68.868 -0.009 0.000 1.119 104 T HN 0.163 nan 8.240 nan 0.000 0.462 105 V N 5.267 125.182 119.914 0.002 0.000 3.013 105 V HA 0.218 4.338 4.120 -0.001 0.000 0.238 105 V C 2.310 178.405 176.094 0.001 0.000 1.161 105 V CA 0.409 62.711 62.300 0.004 0.000 1.170 105 V CB -0.179 31.644 31.823 -0.001 0.000 0.917 105 V HN 0.789 nan 8.190 nan 0.000 0.478 106 L N 0.863 122.085 121.223 -0.002 0.000 2.083 106 L HA 0.044 4.384 4.340 -0.001 0.000 0.209 106 L C 1.523 178.402 176.870 0.015 0.000 1.083 106 L CA 0.964 55.808 54.840 0.006 0.000 0.752 106 L CB -0.491 41.576 42.059 0.013 0.000 0.899 106 L HN 0.329 nan 8.230 nan 0.000 0.433 107 A N 1.306 124.134 122.820 0.013 0.000 2.520 107 A HA 0.265 4.585 4.320 -0.001 0.000 0.245 107 A C -2.149 175.443 177.584 0.015 0.000 1.072 107 A CA -0.976 51.069 52.037 0.014 0.000 0.761 107 A CB -0.503 18.502 19.000 0.009 0.000 1.004 107 A HN -0.003 nan 8.150 nan 0.000 0.499 108 P HA 0.348 nan 4.420 nan 0.000 0.278 108 P C 1.094 178.404 177.300 0.016 0.000 1.238 108 P CA 1.044 64.154 63.100 0.017 0.000 0.794 108 P CB 1.095 32.806 31.700 0.020 0.000 0.955 109 G N 3.079 111.888 108.800 0.015 0.000 2.702 109 G HA2 -0.410 3.550 3.960 -0.001 0.000 0.342 109 G HA3 -0.410 3.550 3.960 -0.001 0.000 0.342 109 G C 1.280 176.190 174.900 0.017 0.000 1.258 109 G CA 1.568 46.677 45.100 0.016 0.000 0.990 109 G HN 0.697 nan 8.290 nan 0.000 0.548 110 S N 0.023 115.735 115.700 0.020 0.000 2.522 110 S HA 0.044 4.514 4.470 -0.001 0.000 0.227 110 S C 2.081 176.700 174.600 0.031 0.000 0.986 110 S CA 1.604 59.820 58.200 0.026 0.000 0.929 110 S CB 0.174 63.392 63.200 0.031 0.000 0.769 110 S HN 0.793 nan 8.310 nan 0.000 0.529 111 Q N 1.110 120.925 119.800 0.024 0.000 2.224 111 Q HA -0.048 4.292 4.340 -0.001 0.000 0.203 111 Q C 2.225 178.232 176.000 0.012 0.000 0.970 111 Q CA 0.725 56.542 55.803 0.023 0.000 0.865 111 Q CB -0.033 28.715 28.738 0.016 0.000 0.922 111 Q HN 0.618 nan 8.270 nan 0.000 0.445 112 R N -0.262 120.242 120.500 0.008 0.000 2.097 112 R HA -0.176 4.163 4.340 -0.001 0.000 0.236 112 R C 2.281 178.570 176.300 -0.017 0.000 1.135 112 R CA 1.553 57.651 56.100 -0.003 0.000 0.934 112 R CB -0.480 29.820 30.300 0.000 0.000 0.846 112 R HN 0.248 nan 8.270 nan 0.000 0.431 113 A N 0.757 123.570 122.820 -0.013 0.000 1.930 113 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 113 A C 2.248 179.796 177.584 -0.060 0.000 1.175 113 A CA 1.787 53.803 52.037 -0.035 0.000 0.627 113 A CB -0.533 18.460 19.000 -0.011 0.000 0.815 113 A HN 0.460 nan 8.150 nan 0.000 0.443 114 S N -0.092 115.608 115.700 -0.001 0.000 2.383 114 S HA -0.182 4.288 4.470 -0.001 0.000 0.227 114 S C 1.701 176.285 174.600 -0.027 0.000 1.026 114 S CA 1.432 59.657 58.200 0.041 0.000 0.981 114 S CB -0.483 62.819 63.200 0.170 0.000 0.818 114 S HN 0.636 nan 8.310 nan 0.000 0.472 115 E N 0.164 120.351 120.200 -0.021 0.000 2.077 115 E HA -0.114 4.235 4.350 -0.001 0.000 0.193 115 E C 2.287 178.838 176.600 -0.082 0.000 0.989 115 E CA 1.514 57.895 56.400 -0.032 0.000 0.800 115 E CB -0.393 29.294 29.700 -0.021 0.000 0.746 115 E HN 0.643 nan 8.360 nan 0.000 0.452 116 C N 0.274 119.505 119.300 -0.114 0.000 2.457 116 C HA -0.012 4.448 4.460 -0.001 0.000 0.278 116 C C 2.544 177.393 174.990 -0.235 0.000 1.309 116 C CA 0.272 59.203 59.018 -0.144 0.000 1.735 116 C CB -0.778 26.885 27.740 -0.128 0.000 1.992 116 C HN 0.360 nan 8.230 nan 0.000 0.493 117 R N -0.167 120.109 120.500 -0.374 0.000 2.092 117 R HA -0.040 4.299 4.340 -0.001 0.000 0.231 117 R C 2.378 178.167 176.300 -0.851 0.000 1.119 117 R CA 1.095 56.778 56.100 -0.696 0.000 0.970 117 R CB -0.260 29.388 30.300 -1.087 0.000 0.864 117 R HN 0.406 nan 8.270 nan 0.000 0.440 118 M N 0.206 119.466 119.600 -0.567 0.000 2.080 118 M HA -0.139 4.341 4.480 -0.001 0.000 0.260 118 M C 2.372 178.740 176.300 0.114 0.000 1.068 118 M CA 1.795 57.044 55.300 -0.084 0.000 1.109 118 M CB -0.836 31.841 32.600 0.129 0.000 1.342 118 M HN 0.221 nan 8.290 nan 0.000 0.405 119 A N -0.186 122.636 122.820 0.003 0.000 1.877 119 A HA -0.036 4.283 4.320 -0.001 0.000 0.216 119 A C 2.379 180.007 177.584 0.073 0.000 1.186 119 A CA 2.272 54.336 52.037 0.045 0.000 0.620 119 A CB -1.032 17.954 19.000 -0.023 0.000 0.822 119 A HN 0.505 nan 8.150 nan 0.000 0.443 120 A N -1.118 121.684 122.820 -0.029 0.000 1.883 120 A HA -0.083 4.237 4.320 -0.001 0.000 0.217 120 A C 2.074 179.763 177.584 0.176 0.000 1.186 120 A CA 1.745 53.784 52.037 0.003 0.000 0.624 120 A CB -0.800 18.089 19.000 -0.184 0.000 0.822 120 A HN 0.717 nan 8.150 nan 0.000 0.444 121 F N -0.822 119.082 119.950 -0.077 0.000 2.095 121 F HA -0.200 4.327 4.527 -0.001 0.000 0.298 121 F C 2.058 177.838 175.800 -0.033 0.000 1.104 121 F CA 1.760 59.730 58.000 -0.050 0.000 1.232 121 F CB -0.487 38.454 39.000 -0.098 0.000 0.987 121 F HN 0.311 nan 8.300 nan 0.000 0.475 122 Y N -0.341 119.962 120.300 0.005 0.000 2.457 122 Y HA 0.094 4.643 4.550 -0.001 0.000 0.292 122 Y C 2.371 178.225 175.900 -0.077 0.000 1.125 122 Y CA 0.808 58.861 58.100 -0.079 0.000 1.254 122 Y CB -0.555 37.939 38.460 0.057 0.000 1.012 122 Y HN 0.131 nan 8.280 nan 0.000 0.555 123 A N -0.586 122.312 122.820 0.129 0.000 2.235 123 A HA 0.316 4.636 4.320 -0.001 0.000 0.208 123 A C 1.955 179.506 177.584 -0.054 0.000 1.172 123 A CA 0.979 53.079 52.037 0.106 0.000 0.786 123 A CB -1.013 18.149 19.000 0.271 0.000 0.804 123 A HN 0.575 nan 8.150 nan 0.000 0.479 124 G N -2.059 106.656 108.800 -0.142 0.000 2.141 124 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.231 124 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.231 124 G C -0.075 174.654 174.900 -0.284 0.000 0.984 124 G CA -0.065 44.871 45.100 -0.273 0.000 0.660 124 G HN 0.307 nan 8.290 nan 0.000 0.525 125 F N 2.636 122.530 119.950 -0.093 0.000 2.456 125 F HA 0.442 4.969 4.527 -0.000 0.000 0.358 125 F C -0.427 175.375 175.800 0.003 0.000 1.095 125 F CA -1.575 56.400 58.000 -0.042 0.000 1.216 125 F CB 0.779 39.758 39.000 -0.036 0.000 1.125 125 F HN -0.037 nan 8.300 nan 0.000 0.549 126 P HA 0.049 nan 4.420 nan 0.000 0.275 126 P C 0.467 177.873 177.300 0.177 0.000 1.266 126 P CA -0.287 62.903 63.100 0.150 0.000 0.793 126 P CB 0.789 32.542 31.700 0.087 0.000 1.074 127 E N -0.470 119.828 120.200 0.164 0.000 2.130 127 E HA -0.185 4.165 4.350 -0.001 0.000 0.196 127 E C 1.493 178.148 176.600 0.093 0.000 0.998 127 E CA 2.137 58.620 56.400 0.139 0.000 0.806 127 E CB -0.254 29.516 29.700 0.116 0.000 0.738 127 E HN 0.602 nan 8.360 nan 0.000 0.459 128 T N -2.176 112.426 114.554 0.080 0.000 3.085 128 T HA 0.036 4.385 4.350 -0.001 0.000 0.263 128 T C 0.833 175.558 174.700 0.042 0.000 1.127 128 T CA -0.017 62.115 62.100 0.054 0.000 1.103 128 T CB 0.144 69.041 68.868 0.049 0.000 0.921 128 T HN -0.161 nan 8.240 nan 0.000 0.510 129 V N 2.662 122.612 119.914 0.059 0.000 2.372 129 V HA 0.607 4.727 4.120 -0.001 0.000 0.261 129 V C 0.828 176.900 176.094 -0.038 0.000 1.055 129 V CA -1.278 61.035 62.300 0.022 0.000 0.930 129 V CB -0.450 31.434 31.823 0.102 0.000 1.031 129 V HN 0.642 nan 8.190 nan 0.000 0.479 130 A N 5.635 128.417 122.820 -0.063 0.000 2.440 130 A HA 0.584 4.903 4.320 -0.001 0.000 0.251 130 A C -0.177 177.340 177.584 -0.111 0.000 1.089 130 A CA -0.170 51.828 52.037 -0.066 0.000 0.779 130 A CB 0.460 19.431 19.000 -0.049 0.000 1.022 130 A HN 0.663 nan 8.150 nan 0.000 0.492 131 V N 4.216 124.066 119.914 -0.107 0.000 2.448 131 V HA 0.517 4.637 4.120 -0.001 0.000 0.295 131 V C 0.222 176.262 176.094 -0.091 0.000 1.025 131 V CA -0.529 61.690 62.300 -0.135 0.000 0.859 131 V CB 1.202 32.916 31.823 -0.180 0.000 0.988 131 V HN 1.002 nan 8.190 nan 0.000 0.431 132 R N 1.978 122.431 120.500 -0.078 0.000 2.854 132 R HA 0.778 5.118 4.340 -0.001 0.000 0.271 132 R C -0.451 175.826 176.300 -0.039 0.000 0.994 132 R CA -0.718 55.356 56.100 -0.043 0.000 0.945 132 R CB 2.448 32.736 30.300 -0.020 0.000 1.194 132 R HN 0.805 nan 8.270 nan 0.000 0.476 133 T N -2.444 112.098 114.554 -0.020 0.000 2.940 133 T HA 0.388 4.737 4.350 -0.001 0.000 0.288 133 T C 0.133 174.837 174.700 0.006 0.000 1.033 133 T CA -0.766 61.327 62.100 -0.011 0.000 1.033 133 T CB 1.526 70.388 68.868 -0.010 0.000 1.079 133 T HN 0.154 nan 8.240 nan 0.000 0.496 134 V N 3.158 123.080 119.914 0.014 0.000 2.485 134 V HA 0.130 4.250 4.120 -0.001 0.000 0.287 134 V C 0.922 177.036 176.094 0.033 0.000 1.022 134 V CA -0.387 61.931 62.300 0.029 0.000 1.067 134 V CB 0.021 31.867 31.823 0.038 0.000 0.967 134 V HN 0.949 nan 8.190 nan 0.000 0.479 135 N N 6.201 124.925 118.700 0.039 0.000 2.895 135 N HA 0.132 4.871 4.740 -0.001 0.000 0.277 135 N C -0.344 175.194 175.510 0.047 0.000 1.185 135 N CA 0.015 53.088 53.050 0.038 0.000 1.106 135 N CB -0.287 38.222 38.487 0.036 0.000 1.422 135 N HN 0.505 nan 8.380 nan 0.000 0.521 136 R N 0.811 121.339 120.500 0.046 0.000 2.698 136 R HA 0.139 4.479 4.340 -0.001 0.000 0.275 136 R C 0.671 176.995 176.300 0.041 0.000 1.001 136 R CA -0.578 55.553 56.100 0.052 0.000 0.896 136 R CB 1.066 31.406 30.300 0.067 0.000 1.218 136 R HN 0.433 nan 8.270 nan 0.000 0.462 137 Q N 0.390 120.213 119.800 0.039 0.000 2.049 137 Q HA 0.027 4.367 4.340 -0.001 0.000 0.198 137 Q C -0.321 175.699 176.000 0.033 0.000 0.971 137 Q CA 1.286 57.107 55.803 0.031 0.000 0.833 137 Q CB 0.390 29.144 28.738 0.027 0.000 0.896 137 Q HN 0.523 nan 8.270 nan 0.000 0.434 138 c N 0.768 119.395 118.600 0.045 0.000 2.397 138 c HA 0.674 5.243 4.570 -0.001 0.000 0.325 138 c C -0.296 173.838 174.090 0.074 0.000 1.201 138 c CA -0.788 55.573 56.329 0.053 0.000 1.377 138 c CB 1.074 43.617 42.510 0.055 0.000 2.038 138 c HN 0.516 nan 8.230 nan 0.000 0.457 139 S N 1.423 117.171 115.700 0.079 0.000 2.643 139 S HA 0.560 5.030 4.470 -0.001 0.000 0.270 139 S C -0.253 174.416 174.600 0.115 0.000 1.166 139 S CA -0.472 57.792 58.200 0.106 0.000 0.815 139 S CB 1.286 64.550 63.200 0.107 0.000 1.139 139 S HN 0.510 nan 8.310 nan 0.000 0.472 140 S N -0.210 115.577 115.700 0.145 0.000 2.554 140 S HA 0.528 4.998 4.470 -0.001 0.000 0.226 140 S C 1.398 176.079 174.600 0.135 0.000 0.980 140 S CA 0.061 58.359 58.200 0.163 0.000 0.939 140 S CB 0.268 63.593 63.200 0.208 0.000 0.832 140 S HN 1.996 nan 8.310 nan 0.000 0.486 141 G N 1.499 110.371 108.800 0.119 0.000 2.195 141 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.246 141 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.246 141 G C 0.713 175.673 174.900 0.100 0.000 0.984 141 G CA 0.368 45.524 45.100 0.093 0.000 0.633 141 G HN 0.433 nan 8.290 nan 0.000 0.525 142 L N 0.984 122.297 121.223 0.151 0.000 2.083 142 L HA 0.104 4.444 4.340 -0.001 0.000 0.209 142 L C 2.622 179.527 176.870 0.058 0.000 1.083 142 L CA 3.136 58.084 54.840 0.179 0.000 0.752 142 L CB -0.442 41.814 42.059 0.328 0.000 0.899 142 L HN 0.518 nan 8.230 nan 0.000 0.433 143 Q N -1.115 118.709 119.800 0.041 0.000 2.291 143 Q HA -0.188 4.151 4.340 -0.001 0.000 0.206 143 Q C 2.099 178.030 176.000 -0.116 0.000 0.976 143 Q CA 1.159 56.859 55.803 -0.172 0.000 0.875 143 Q CB -0.080 28.673 28.738 0.024 0.000 0.927 143 Q HN 0.673 nan 8.270 nan 0.000 0.450 144 A N -0.275 122.534 122.820 -0.018 0.000 1.908 144 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 144 A C 2.118 179.704 177.584 0.004 0.000 1.181 144 A CA 1.686 53.723 52.037 -0.000 0.000 0.627 144 A CB -0.637 18.372 19.000 0.014 0.000 0.818 144 A HN 0.298 nan 8.150 nan 0.000 0.445 145 V N -0.379 119.546 119.914 0.018 0.000 2.379 145 V HA -0.170 3.950 4.120 -0.001 0.000 0.245 145 V C 2.991 179.170 176.094 0.141 0.000 1.044 145 V CA 1.763 64.115 62.300 0.086 0.000 1.036 145 V CB -1.279 30.608 31.823 0.106 0.000 0.664 145 V HN 0.600 nan 8.190 nan 0.000 0.453 146 A N 0.067 122.873 122.820 -0.025 0.000 1.930 146 A HA -0.209 4.111 4.320 -0.001 0.000 0.217 146 A C 1.947 179.443 177.584 -0.147 0.000 1.175 146 A CA 1.943 53.850 52.037 -0.217 0.000 0.627 146 A CB -0.510 17.799 19.000 -1.153 0.000 0.815 146 A HN 0.530 nan 8.150 nan 0.000 0.443 147 D N -0.478 119.860 120.400 -0.104 0.000 2.162 147 D HA -0.040 4.599 4.640 -0.001 0.000 0.203 147 D C 2.054 178.378 176.300 0.040 0.000 0.967 147 D CA 1.039 55.033 54.000 -0.010 0.000 0.840 147 D CB -0.395 40.416 40.800 0.018 0.000 0.972 147 D HN 0.187 nan 8.370 nan 0.000 0.482 148 V N 1.607 121.559 119.914 0.062 0.000 2.287 148 V HA -0.273 3.846 4.120 -0.001 0.000 0.248 148 V C 2.558 178.670 176.094 0.030 0.000 1.053 148 V CA 1.945 64.330 62.300 0.142 0.000 1.027 148 V CB -0.867 31.040 31.823 0.139 0.000 0.646 148 V HN 0.194 nan 8.190 nan 0.000 0.447 149 A N -0.054 122.708 122.820 -0.097 0.000 1.917 149 A HA -0.213 4.106 4.320 -0.001 0.000 0.219 149 A C 2.420 179.809 177.584 -0.325 0.000 1.182 149 A CA 2.443 54.250 52.037 -0.384 0.000 0.633 149 A CB -0.876 17.531 19.000 -0.989 0.000 0.819 149 A HN 0.620 nan 8.150 nan 0.000 0.448 150 A N -0.381 122.387 122.820 -0.086 0.000 1.933 150 A HA 0.173 4.493 4.320 -0.001 0.000 0.218 150 A C 2.484 179.948 177.584 -0.200 0.000 1.175 150 A CA 2.066 54.128 52.037 0.042 0.000 0.628 150 A CB -0.939 18.103 19.000 0.069 0.000 0.814 150 A HN 1.102 nan 8.150 nan 0.000 0.444 151 A N -0.128 122.551 122.820 -0.235 0.000 1.969 151 A HA -0.013 4.306 4.320 -0.001 0.000 0.218 151 A C 2.087 179.248 177.584 -0.705 0.000 1.169 151 A CA 1.358 53.112 52.037 -0.471 0.000 0.635 151 A CB -0.546 18.298 19.000 -0.260 0.000 0.810 151 A HN 0.507 nan 8.150 nan 0.000 0.445 152 I N -0.705 119.551 120.570 -0.525 0.000 2.202 152 I HA -0.224 3.946 4.170 -0.001 0.000 0.242 152 I C 2.473 178.428 176.117 -0.271 0.000 1.091 152 I CA 1.755 62.834 61.300 -0.368 0.000 1.368 152 I CB -0.237 37.666 38.000 -0.162 0.000 1.058 152 I HN 0.203 nan 8.210 nan 0.000 0.410 153 K N 1.780 122.050 120.400 -0.215 0.000 2.211 153 K HA -0.107 4.212 4.320 -0.001 0.000 0.204 153 K C 1.788 178.248 176.600 -0.235 0.000 1.047 153 K CA 1.651 57.852 56.287 -0.144 0.000 0.935 153 K CB -0.301 32.191 32.500 -0.012 0.000 0.728 153 K HN 0.326 nan 8.250 nan 0.000 0.452 154 A N -0.909 121.650 122.820 -0.435 0.000 2.218 154 A HA 0.316 4.635 4.320 -0.001 0.000 0.209 154 A C 1.326 178.606 177.584 -0.507 0.000 1.168 154 A CA 0.701 52.376 52.037 -0.604 0.000 0.804 154 A CB -0.421 17.877 19.000 -1.170 0.000 0.834 154 A HN 0.484 nan 8.150 nan 0.000 0.482 155 G N -1.535 107.047 108.800 -0.364 0.000 2.137 155 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.237 155 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.237 155 G C 0.596 175.509 174.900 0.021 0.000 1.002 155 G CA 0.388 45.407 45.100 -0.136 0.000 0.702 155 G HN 0.498 nan 8.290 nan 0.000 0.515 156 F N -0.836 118.997 119.950 -0.194 0.000 2.234 156 F HA 0.269 4.796 4.527 -0.001 0.000 0.296 156 F C 1.431 177.216 175.800 -0.024 0.000 1.089 156 F CA 0.895 58.811 58.000 -0.139 0.000 1.343 156 F CB 0.052 38.939 39.000 -0.188 0.000 1.040 156 F HN 0.475 nan 8.300 nan 0.000 0.498 157 Y N -3.342 117.073 120.300 0.192 0.000 2.725 157 Y HA 0.392 4.942 4.550 -0.001 0.000 0.333 157 Y C -0.508 175.433 175.900 0.067 0.000 1.242 157 Y CA -1.621 56.546 58.100 0.111 0.000 1.059 157 Y CB 0.119 38.640 38.460 0.101 0.000 1.306 157 Y HN -0.328 nan 8.280 nan 0.000 0.454 158 D N 0.402 120.994 120.400 0.321 0.000 2.380 158 D HA 0.306 4.946 4.640 -0.001 0.000 0.212 158 D C -0.223 176.205 176.300 0.213 0.000 1.021 158 D CA 1.028 55.138 54.000 0.183 0.000 0.884 158 D CB 0.891 41.764 40.800 0.123 0.000 1.001 158 D HN 0.498 nan 8.370 nan 0.000 0.506 159 I N -0.039 120.705 120.570 0.291 0.000 2.569 159 I HA 0.575 4.745 4.170 -0.001 0.000 0.290 159 I C -0.053 176.155 176.117 0.151 0.000 1.088 159 I CA -0.801 60.612 61.300 0.188 0.000 1.047 159 I CB 2.674 40.741 38.000 0.111 0.000 1.237 159 I HN -0.177 nan 8.210 nan 0.000 0.421 160 G N 5.629 114.511 108.800 0.136 0.000 2.690 160 G HA2 0.790 4.749 3.960 -0.001 0.000 0.291 160 G HA3 0.790 4.749 3.960 -0.001 0.000 0.291 160 G C -1.540 173.380 174.900 0.033 0.000 1.403 160 G CA -0.517 44.600 45.100 0.028 0.000 0.864 160 G HN 0.426 nan 8.290 nan 0.000 0.480 161 I N 0.692 121.245 120.570 -0.030 0.000 2.433 161 I HA 0.540 4.710 4.170 -0.001 0.000 0.292 161 I C 0.501 176.604 176.117 -0.023 0.000 1.001 161 I CA -0.834 60.451 61.300 -0.025 0.000 1.119 161 I CB 2.354 40.308 38.000 -0.077 0.000 1.289 161 I HN 0.580 nan 8.210 nan 0.000 0.438 162 G N 4.593 113.396 108.800 0.004 0.000 2.437 162 G HA2 0.747 4.707 3.960 -0.001 0.000 0.315 162 G HA3 0.747 4.707 3.960 -0.001 0.000 0.315 162 G C -0.711 174.187 174.900 -0.004 0.000 1.210 162 G CA -0.225 44.879 45.100 0.007 0.000 0.943 162 G HN 0.758 nan 8.290 nan 0.000 0.471 163 A N 1.480 124.290 122.820 -0.016 0.000 2.483 163 A HA 1.064 5.383 4.320 -0.001 0.000 0.286 163 A C 0.036 177.615 177.584 -0.008 0.000 1.207 163 A CA -0.361 51.666 52.037 -0.016 0.000 0.764 163 A CB 1.838 20.814 19.000 -0.039 0.000 1.341 163 A HN 1.770 nan 8.150 nan 0.000 0.428 164 G N -1.465 107.332 108.800 -0.006 0.000 2.704 164 G HA2 0.679 4.639 3.960 -0.001 0.000 0.293 164 G HA3 0.679 4.639 3.960 -0.001 0.000 0.293 164 G C -2.130 172.765 174.900 -0.009 0.000 1.421 164 G CA -0.302 44.798 45.100 -0.001 0.000 0.870 164 G HN 1.687 nan 8.290 nan 0.000 0.492 165 L N -0.075 121.141 121.223 -0.011 0.000 2.526 165 L HA 0.780 5.120 4.340 -0.001 0.000 0.263 165 L C -1.420 175.441 176.870 -0.014 0.000 0.943 165 L CA -0.565 54.263 54.840 -0.020 0.000 0.859 165 L CB 2.174 44.214 42.059 -0.032 0.000 1.313 165 L HN 0.513 nan 8.230 nan 0.000 0.406 166 E N 2.794 122.986 120.200 -0.012 0.000 2.340 166 E HA 0.724 5.074 4.350 -0.001 0.000 0.273 166 E C -1.563 175.039 176.600 0.004 0.000 0.891 166 E CA -0.645 55.752 56.400 -0.006 0.000 0.757 166 E CB 2.284 31.976 29.700 -0.013 0.000 1.231 166 E HN 0.510 nan 8.360 nan 0.000 0.439 167 S N 1.908 117.618 115.700 0.017 0.000 2.543 167 S HA 0.254 4.724 4.470 -0.001 0.000 0.273 167 S C 0.224 174.858 174.600 0.056 0.000 1.152 167 S CA -0.493 57.729 58.200 0.037 0.000 0.910 167 S CB 0.830 64.044 63.200 0.024 0.000 1.105 167 S HN 0.419 nan 8.310 nan 0.000 0.465 168 M N 2.691 122.336 119.600 0.074 0.000 2.562 168 M HA 0.070 4.550 4.480 -0.001 0.000 0.257 168 M C 1.216 177.570 176.300 0.090 0.000 1.099 168 M CA 0.665 56.016 55.300 0.085 0.000 1.099 168 M CB -1.350 31.306 32.600 0.093 0.000 1.427 168 M HN 0.868 nan 8.290 nan 0.000 0.489 169 T N -1.341 113.276 114.554 0.104 0.000 2.902 169 T HA 0.404 4.754 4.350 -0.001 0.000 0.280 169 T C -0.023 174.758 174.700 0.136 0.000 0.992 169 T CA -0.450 61.740 62.100 0.149 0.000 1.015 169 T CB 2.024 71.023 68.868 0.218 0.000 1.044 169 T HN 0.071 nan 8.240 nan 0.000 0.520 170 T N 2.946 117.570 114.554 0.117 0.000 2.847 170 T HA 0.348 4.698 4.350 -0.001 0.000 0.291 170 T C -0.162 174.376 174.700 -0.270 0.000 0.998 170 T CA -0.701 61.386 62.100 -0.022 0.000 0.967 170 T CB 0.787 69.647 68.868 -0.014 0.000 0.954 170 T HN 0.724 nan 8.240 nan 0.000 0.441 171 N N 4.213 122.574 118.700 -0.564 0.000 2.411 171 N HA 0.035 4.775 4.740 -0.001 0.000 0.265 171 N C -1.576 173.634 175.510 -0.501 0.000 1.266 171 N CA -1.382 51.023 53.050 -1.075 0.000 0.889 171 N CB 1.401 39.510 38.487 -0.630 0.000 1.069 171 N HN 0.262 nan 8.380 nan 0.000 0.476 172 P HA -0.030 nan 4.420 nan 0.000 0.220 172 P C 0.211 177.437 177.300 -0.124 0.000 1.148 172 P CA 1.081 64.078 63.100 -0.172 0.000 0.803 172 P CB 0.225 31.870 31.700 -0.093 0.000 0.782 173 M N 0.214 119.728 119.600 -0.143 0.000 2.193 173 M HA 0.365 4.844 4.480 -0.001 0.000 0.342 173 M C 0.349 176.627 176.300 -0.036 0.000 1.413 173 M CA -0.605 54.658 55.300 -0.061 0.000 1.191 173 M CB -0.040 32.547 32.600 -0.022 0.000 1.633 173 M HN -0.140 nan 8.290 nan 0.000 0.458 174 A N 4.585 127.402 122.820 -0.005 0.000 2.269 174 A HA 0.448 4.768 4.320 -0.001 0.000 0.319 174 A C -0.579 177.079 177.584 0.123 0.000 1.110 174 A CA -0.688 51.380 52.037 0.052 0.000 0.847 174 A CB 0.734 19.752 19.000 0.029 0.000 1.161 174 A HN 0.947 nan 8.150 nan 0.000 0.497 175 W N 1.694 122.978 121.300 -0.027 0.000 2.264 175 W HA 0.216 4.875 4.660 -0.001 0.000 0.331 175 W C -0.062 176.428 176.519 -0.048 0.000 1.364 175 W CA 1.133 58.459 57.345 -0.032 0.000 1.253 175 W CB -0.013 29.433 29.460 -0.024 0.000 1.215 175 W HN 1.011 nan 8.180 nan 0.000 0.561 185 K N -0.113 120.346 120.400 0.097 0.000 2.155 185 K HA 0.159 4.479 4.320 -0.001 0.000 0.203 185 K C 1.925 178.599 176.600 0.124 0.000 1.052 185 K CA 1.400 57.742 56.287 0.091 0.000 0.948 185 K CB -0.180 32.372 32.500 0.087 0.000 0.728 185 K HN 0.354 nan 8.250 nan 0.000 0.448 186 F N 1.916 121.882 119.950 0.026 0.000 2.146 186 F HA -0.141 4.386 4.527 -0.001 0.000 0.298 186 F C 2.155 177.976 175.800 0.035 0.000 1.096 186 F CA 1.192 59.210 58.000 0.030 0.000 1.275 186 F CB -0.432 38.586 39.000 0.031 0.000 1.008 186 F HN -0.049 nan 8.300 nan 0.000 0.480 187 A N 0.024 122.818 122.820 -0.042 0.000 1.892 187 A HA -0.324 3.995 4.320 -0.001 0.000 0.218 187 A C 2.177 179.685 177.584 -0.127 0.000 1.188 187 A CA 2.123 54.090 52.037 -0.117 0.000 0.631 187 A CB -1.176 17.831 19.000 0.012 0.000 0.822 187 A HN 0.571 nan 8.150 nan 0.000 0.447 188 Q N -0.876 118.889 119.800 -0.058 0.000 2.124 188 Q HA -0.075 4.264 4.340 -0.001 0.000 0.202 188 Q C 2.221 178.181 176.000 -0.066 0.000 0.977 188 Q CA 1.787 57.565 55.803 -0.042 0.000 0.850 188 Q CB -0.400 28.333 28.738 -0.008 0.000 0.901 188 Q HN 0.672 nan 8.270 nan 0.000 0.429 189 A N 0.137 122.897 122.820 -0.100 0.000 1.877 189 A HA -0.246 4.074 4.320 -0.001 0.000 0.216 189 A C 1.969 179.476 177.584 -0.128 0.000 1.186 189 A CA 1.579 53.554 52.037 -0.103 0.000 0.620 189 A CB -0.583 18.363 19.000 -0.088 0.000 0.822 189 A HN 0.436 nan 8.150 nan 0.000 0.443 190 Q N -0.918 118.719 119.800 -0.271 0.000 2.124 190 Q HA -0.221 4.119 4.340 -0.001 0.000 0.202 190 Q C 2.053 178.001 176.000 -0.088 0.000 0.977 190 Q CA 1.557 57.233 55.803 -0.211 0.000 0.850 190 Q CB -0.263 28.251 28.738 -0.374 0.000 0.901 190 Q HN 0.773 nan 8.270 nan 0.000 0.429 191 N N -0.077 118.570 118.700 -0.088 0.000 2.223 191 N HA -0.145 4.594 4.740 -0.001 0.000 0.185 191 N C 1.403 176.905 175.510 -0.014 0.000 1.016 191 N CA 1.550 54.575 53.050 -0.043 0.000 0.863 191 N CB -0.127 38.338 38.487 -0.037 0.000 0.983 191 N HN 0.173 nan 8.380 nan 0.000 0.429 192 c N -0.800 117.800 118.600 -0.000 0.000 2.505 192 c HA 0.236 4.806 4.570 -0.001 0.000 0.279 192 c C 2.522 176.661 174.090 0.082 0.000 1.316 192 c CA -0.024 56.327 56.329 0.037 0.000 1.720 192 c CB -1.071 41.464 42.510 0.041 0.000 2.050 192 c HN 0.468 nan 8.230 nan 0.000 0.493 193 L N 0.161 121.450 121.223 0.110 0.000 2.249 193 L HA 0.043 4.382 4.340 -0.001 0.000 0.207 193 L C 2.410 179.419 176.870 0.232 0.000 1.090 193 L CA 0.777 55.772 54.840 0.258 0.000 0.802 193 L CB -0.490 41.747 42.059 0.297 0.000 0.947 193 L HN 0.346 nan 8.230 nan 0.000 0.453 194 L N 0.185 121.472 121.223 0.108 0.000 1.994 194 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 194 L C -0.070 176.662 176.870 -0.231 0.000 1.071 194 L CA 1.575 56.415 54.840 0.000 0.000 0.745 194 L CB -1.970 40.102 42.059 0.021 0.000 0.892 194 L HN 0.194 nan 8.230 nan 0.000 0.431 195 P HA -0.225 nan 4.420 nan 0.000 0.216 195 P C 1.718 178.875 177.300 -0.237 0.000 1.153 195 P CA 1.477 64.470 63.100 -0.179 0.000 0.858 195 P CB -0.023 31.624 31.700 -0.089 0.000 0.789 196 M N -0.361 119.138 119.600 -0.168 0.000 2.108 196 M HA -0.046 4.434 4.480 -0.001 0.000 0.261 196 M C 1.949 177.859 176.300 -0.651 0.000 1.066 196 M CA 2.189 57.367 55.300 -0.204 0.000 1.107 196 M CB -1.526 31.130 32.600 0.094 0.000 1.356 196 M HN -0.101 nan 8.290 nan 0.000 0.406 197 G N -0.866 107.356 108.800 -0.963 0.000 2.414 197 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.215 197 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.215 197 G C 1.451 175.707 174.900 -1.074 0.000 1.188 197 G CA 1.424 45.662 45.100 -1.436 0.000 0.783 197 G HN 0.544 nan 8.290 nan 0.000 0.537 198 V N 0.511 119.742 119.914 -1.138 0.000 2.343 198 V HA -0.181 3.938 4.120 -0.001 0.000 0.247 198 V C 2.950 178.807 176.094 -0.395 0.000 1.051 198 V CA 2.911 64.769 62.300 -0.737 0.000 1.036 198 V CB -1.656 29.823 31.823 -0.572 0.000 0.654 198 V HN 0.500 nan 8.190 nan 0.000 0.451 199 T N -1.556 112.791 114.554 -0.345 0.000 2.746 199 T HA -0.189 4.160 4.350 -0.001 0.000 0.267 199 T C 2.006 176.589 174.700 -0.195 0.000 1.039 199 T CA 2.042 64.010 62.100 -0.221 0.000 1.142 199 T CB -0.951 67.815 68.868 -0.170 0.000 0.866 199 T HN 0.526 nan 8.240 nan 0.000 0.444 200 S N 1.204 116.758 115.700 -0.244 0.000 2.402 200 S HA -0.013 4.456 4.470 -0.001 0.000 0.229 200 S C 1.996 176.546 174.600 -0.083 0.000 1.021 200 S CA 1.042 59.148 58.200 -0.156 0.000 0.974 200 S CB -0.349 62.750 63.200 -0.168 0.000 0.800 200 S HN 0.710 nan 8.310 nan 0.000 0.484 201 E N 0.979 121.120 120.200 -0.099 0.000 2.274 201 E HA -0.103 4.246 4.350 -0.001 0.000 0.194 201 E C 1.276 177.862 176.600 -0.024 0.000 0.996 201 E CA 0.694 57.092 56.400 -0.004 0.000 0.840 201 E CB 0.092 29.825 29.700 0.055 0.000 0.772 201 E HN 0.340 nan 8.360 nan 0.000 0.491 202 N N -0.345 118.311 118.700 -0.073 0.000 2.220 202 N HA -0.088 4.651 4.740 -0.001 0.000 0.182 202 N C 1.785 177.252 175.510 -0.072 0.000 1.023 202 N CA 0.776 53.781 53.050 -0.074 0.000 0.856 202 N CB -0.383 38.046 38.487 -0.096 0.000 0.997 202 N HN -0.020 nan 8.380 nan 0.000 0.429 203 V N 1.767 121.636 119.914 -0.074 0.000 2.287 203 V HA -0.240 3.880 4.120 -0.001 0.000 0.248 203 V C 2.354 178.488 176.094 0.067 0.000 1.053 203 V CA 2.015 64.288 62.300 -0.044 0.000 1.027 203 V CB -1.024 30.690 31.823 -0.182 0.000 0.646 203 V HN 0.330 nan 8.190 nan 0.000 0.447 204 A N -1.085 121.764 122.820 0.048 0.000 1.933 204 A HA -0.297 4.022 4.320 -0.001 0.000 0.218 204 A C 2.262 179.902 177.584 0.092 0.000 1.175 204 A CA 2.036 54.143 52.037 0.116 0.000 0.628 204 A CB -0.534 18.531 19.000 0.108 0.000 0.814 204 A HN 0.601 nan 8.150 nan 0.000 0.444 205 Q N -0.661 119.158 119.800 0.031 0.000 2.230 205 Q HA -0.097 4.242 4.340 -0.001 0.000 0.202 205 Q C 2.081 178.056 176.000 -0.042 0.000 0.963 205 Q CA 1.034 56.839 55.803 0.004 0.000 0.866 205 Q CB -0.027 28.703 28.738 -0.013 0.000 0.931 205 Q HN 0.678 nan 8.270 nan 0.000 0.452 206 R N -1.157 119.278 120.500 -0.110 0.000 2.173 206 R HA 0.044 4.383 4.340 -0.001 0.000 0.208 206 R C 1.189 177.270 176.300 -0.366 0.000 1.035 206 R CA 0.508 56.440 56.100 -0.280 0.000 1.004 206 R CB 0.254 30.294 30.300 -0.434 0.000 0.917 206 R HN 0.207 nan 8.270 nan 0.000 0.462 207 F N 0.042 120.000 119.950 0.014 0.000 2.693 207 F HA 0.268 4.795 4.527 0.000 0.000 0.303 207 F C 1.176 177.019 175.800 0.072 0.000 1.097 207 F CA 0.142 58.188 58.000 0.076 0.000 1.330 207 F CB 0.822 39.938 39.000 0.194 0.000 1.067 207 F HN 0.109 nan 8.300 nan 0.000 0.565 208 G N 1.389 110.283 108.800 0.156 0.000 2.295 208 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.287 208 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.287 208 G C -0.119 174.857 174.900 0.127 0.000 1.055 208 G CA -0.009 45.158 45.100 0.111 0.000 0.922 208 G HN 0.142 nan 8.290 nan 0.000 0.503 209 V N 1.588 121.595 119.914 0.154 0.000 2.415 209 V HA 0.454 4.574 4.120 -0.001 0.000 0.267 209 V C 1.225 177.382 176.094 0.105 0.000 1.042 209 V CA 0.173 62.554 62.300 0.136 0.000 1.000 209 V CB 0.827 32.751 31.823 0.169 0.000 1.015 209 V HN 0.915 nan 8.190 nan 0.000 0.478 210 S N 4.897 120.648 115.700 0.086 0.000 2.632 210 S HA 0.362 4.832 4.470 -0.001 0.000 0.267 210 S C 1.031 175.675 174.600 0.075 0.000 1.276 210 S CA -0.532 57.711 58.200 0.071 0.000 0.998 210 S CB 1.421 64.655 63.200 0.057 0.000 0.953 210 S HN 0.650 nan 8.310 nan 0.000 0.547 211 R N 0.766 121.305 120.500 0.065 0.000 2.105 211 R HA -0.143 4.197 4.340 -0.001 0.000 0.239 211 R C 2.346 178.683 176.300 0.062 0.000 1.135 211 R CA 2.200 58.339 56.100 0.064 0.000 0.967 211 R CB -0.969 29.362 30.300 0.052 0.000 0.861 211 R HN 0.893 nan 8.270 nan 0.000 0.442 212 Q N 0.062 119.894 119.800 0.054 0.000 2.050 212 Q HA -0.216 4.124 4.340 -0.001 0.000 0.202 212 Q C 1.863 177.899 176.000 0.060 0.000 0.980 212 Q CA 2.058 57.891 55.803 0.050 0.000 0.840 212 Q CB -0.094 28.669 28.738 0.041 0.000 0.898 212 Q HN 0.555 nan 8.270 nan 0.000 0.424 213 E N -0.237 120.003 120.200 0.067 0.000 2.077 213 E HA -0.224 4.126 4.350 -0.001 0.000 0.193 213 E C 2.098 178.759 176.600 0.102 0.000 0.989 213 E CA 1.388 57.834 56.400 0.077 0.000 0.800 213 E CB 0.143 29.888 29.700 0.075 0.000 0.746 213 E HN 0.427 nan 8.360 nan 0.000 0.452 214 Q N 0.019 119.884 119.800 0.108 0.000 2.083 214 Q HA -0.146 4.194 4.340 -0.001 0.000 0.198 214 Q C 1.732 177.797 176.000 0.109 0.000 0.969 214 Q CA 1.275 57.156 55.803 0.129 0.000 0.838 214 Q CB 0.107 28.925 28.738 0.133 0.000 0.900 214 Q HN 0.233 nan 8.270 nan 0.000 0.436 215 D N 0.413 120.864 120.400 0.085 0.000 2.144 215 D HA -0.172 4.468 4.640 -0.001 0.000 0.199 215 D C 1.849 178.191 176.300 0.070 0.000 0.984 215 D CA 1.034 55.076 54.000 0.070 0.000 0.834 215 D CB -0.124 40.707 40.800 0.053 0.000 0.955 215 D HN 0.096 nan 8.370 nan 0.000 0.465 216 Q N 0.824 120.667 119.800 0.072 0.000 2.124 216 Q HA -0.057 4.283 4.340 -0.001 0.000 0.202 216 Q C 1.864 177.915 176.000 0.085 0.000 0.977 216 Q CA 1.758 57.603 55.803 0.071 0.000 0.850 216 Q CB -0.408 28.369 28.738 0.065 0.000 0.901 216 Q HN 0.200 nan 8.270 nan 0.000 0.429 217 A N 0.157 123.042 122.820 0.109 0.000 1.902 217 A HA -0.038 4.281 4.320 -0.001 0.000 0.217 217 A C 2.289 179.900 177.584 0.046 0.000 1.181 217 A CA 1.862 53.971 52.037 0.120 0.000 0.623 217 A CB -1.174 17.954 19.000 0.214 0.000 0.818 217 A HN 0.514 nan 8.150 nan 0.000 0.443 218 A N -0.550 122.307 122.820 0.060 0.000 1.902 218 A HA 0.024 4.343 4.320 -0.001 0.000 0.217 218 A C 2.223 179.902 177.584 0.157 0.000 1.181 218 A CA 1.720 53.806 52.037 0.081 0.000 0.623 218 A CB -0.937 18.127 19.000 0.106 0.000 0.818 218 A HN 0.384 nan 8.150 nan 0.000 0.443 219 V N 0.815 120.797 119.914 0.113 0.000 2.287 219 V HA -0.281 3.838 4.120 -0.001 0.000 0.248 219 V C 2.201 178.352 176.094 0.095 0.000 1.053 219 V CA 2.380 64.741 62.300 0.102 0.000 1.027 219 V CB -0.879 30.980 31.823 0.060 0.000 0.646 219 V HN 0.501 nan 8.190 nan 0.000 0.447 220 D N -0.340 120.100 120.400 0.067 0.000 2.123 220 D HA -0.156 4.483 4.640 -0.001 0.000 0.196 220 D C 2.410 178.723 176.300 0.022 0.000 0.992 220 D CA 1.780 55.809 54.000 0.049 0.000 0.833 220 D CB -0.343 40.491 40.800 0.058 0.000 0.954 220 D HN 0.418 nan 8.370 nan 0.000 0.455 221 S N -0.632 115.055 115.700 -0.022 0.000 2.356 221 S HA -0.177 4.292 4.470 -0.001 0.000 0.223 221 S C 1.862 176.391 174.600 -0.118 0.000 1.032 221 S CA 1.001 59.130 58.200 -0.118 0.000 1.005 221 S CB -0.229 62.830 63.200 -0.235 0.000 0.867 221 S HN 0.336 nan 8.310 nan 0.000 0.449 222 H N 0.715 119.776 119.070 -0.015 0.000 2.353 222 H HA -0.009 4.546 4.556 -0.001 0.000 0.300 222 H C 2.540 177.873 175.328 0.007 0.000 1.090 222 H CA 1.536 57.583 56.048 -0.002 0.000 1.327 222 H CB -0.335 29.423 29.762 -0.007 0.000 1.383 222 H HN 0.388 nan 8.280 nan 0.000 0.508 223 R N 1.497 122.069 120.500 0.121 0.000 2.094 223 R HA -0.147 4.193 4.340 -0.001 0.000 0.239 223 R C 2.143 178.466 176.300 0.040 0.000 1.137 223 R CA 1.732 57.872 56.100 0.066 0.000 0.943 223 R CB 0.048 30.378 30.300 0.050 0.000 0.850 223 R HN 0.245 nan 8.270 nan 0.000 0.433 224 K N -0.457 119.959 120.400 0.027 0.000 2.097 224 K HA -0.062 4.258 4.320 -0.001 0.000 0.205 224 K C 2.073 178.680 176.600 0.011 0.000 1.050 224 K CA 1.201 57.493 56.287 0.009 0.000 0.938 224 K CB -0.066 32.439 32.500 0.009 0.000 0.718 224 K HN 0.238 nan 8.250 nan 0.000 0.442 225 A N 1.512 124.357 122.820 0.042 0.000 1.930 225 A HA -0.057 4.262 4.320 -0.001 0.000 0.217 225 A C 2.360 180.010 177.584 0.111 0.000 1.175 225 A CA 1.644 53.752 52.037 0.118 0.000 0.627 225 A CB -0.567 18.487 19.000 0.090 0.000 0.815 225 A HN 0.308 nan 8.150 nan 0.000 0.443 226 A N 0.042 122.908 122.820 0.077 0.000 1.877 226 A HA 0.151 4.470 4.320 -0.001 0.000 0.216 226 A C 2.515 180.112 177.584 0.022 0.000 1.186 226 A CA 2.127 54.201 52.037 0.062 0.000 0.620 226 A CB -1.079 17.957 19.000 0.060 0.000 0.822 226 A HN 1.061 nan 8.150 nan 0.000 0.443 227 A N -0.334 122.486 122.820 0.000 0.000 1.933 227 A HA 0.166 4.486 4.320 -0.001 0.000 0.218 227 A C 2.456 179.991 177.584 -0.082 0.000 1.175 227 A CA 2.111 54.130 52.037 -0.030 0.000 0.628 227 A CB -0.865 18.119 19.000 -0.027 0.000 0.814 227 A HN 1.018 nan 8.150 nan 0.000 0.444 228 A N -1.090 121.646 122.820 -0.140 0.000 1.897 228 A HA -0.000 4.320 4.320 -0.001 0.000 0.215 228 A C 2.284 179.683 177.584 -0.309 0.000 1.181 228 A CA 2.046 53.882 52.037 -0.335 0.000 0.620 228 A CB -1.171 17.433 19.000 -0.660 0.000 0.821 228 A HN 0.414 nan 8.150 nan 0.000 0.443 229 T N 0.634 115.127 114.554 -0.102 0.000 2.684 229 T HA -0.083 4.267 4.350 -0.001 0.000 0.267 229 T C 2.127 176.833 174.700 0.010 0.000 1.036 229 T CA 1.707 63.846 62.100 0.065 0.000 1.148 229 T CB -0.423 68.541 68.868 0.161 0.000 0.863 229 T HN 0.568 nan 8.240 nan 0.000 0.436 230 A N 0.941 123.755 122.820 -0.010 0.000 2.066 230 A HA 0.413 4.732 4.320 -0.001 0.000 0.218 230 A C 2.346 179.914 177.584 -0.027 0.000 1.157 230 A CA 1.263 53.293 52.037 -0.010 0.000 0.670 230 A CB -0.572 18.424 19.000 -0.007 0.000 0.804 230 A HN 0.496 nan 8.150 nan 0.000 0.453 231 A N -1.627 121.160 122.820 -0.054 0.000 2.275 231 A HA 0.432 4.751 4.320 -0.001 0.000 0.212 231 A C 1.677 179.224 177.584 -0.062 0.000 1.201 231 A CA 1.022 53.023 52.037 -0.060 0.000 0.843 231 A CB -0.842 18.110 19.000 -0.080 0.000 0.873 231 A HN 1.768 nan 8.150 nan 0.000 0.492 232 G N -0.063 108.703 108.800 -0.056 0.000 2.160 232 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.251 232 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.251 232 G C 0.767 175.628 174.900 -0.065 0.000 1.008 232 G CA 0.834 45.912 45.100 -0.036 0.000 0.724 232 G HN 0.546 nan 8.290 nan 0.000 0.514 233 K N -1.071 119.230 120.400 -0.165 0.000 2.366 233 K HA 0.252 4.572 4.320 -0.001 0.000 0.198 233 K C 1.623 178.099 176.600 -0.206 0.000 1.044 233 K CA 0.574 56.727 56.287 -0.224 0.000 0.973 233 K CB -0.029 32.268 32.500 -0.339 0.000 0.767 233 K HN 0.531 nan 8.250 nan 0.000 0.475 234 F N 0.995 120.927 119.950 -0.030 0.000 2.789 234 F HA 0.052 4.578 4.527 -0.001 0.000 0.300 234 F C 1.753 177.519 175.800 -0.057 0.000 1.132 234 F CA -0.044 57.931 58.000 -0.042 0.000 1.404 234 F CB 0.296 39.279 39.000 -0.029 0.000 1.114 234 F HN -0.129 nan 8.300 nan 0.000 0.584 235 K N 0.375 120.835 120.400 0.101 0.000 2.097 235 K HA -0.169 4.150 4.320 -0.001 0.000 0.206 235 K C 1.161 177.764 176.600 0.005 0.000 1.049 235 K CA 1.417 57.732 56.287 0.047 0.000 0.933 235 K CB -0.325 32.189 32.500 0.023 0.000 0.717 235 K HN 0.230 nan 8.250 nan 0.000 0.442 236 D N 1.103 121.477 120.400 -0.043 0.000 2.097 236 D HA -0.177 4.463 4.640 -0.001 0.000 0.195 236 D C 1.991 178.138 176.300 -0.254 0.000 0.989 236 D CA 1.419 55.340 54.000 -0.133 0.000 0.827 236 D CB -0.087 40.609 40.800 -0.173 0.000 0.966 236 D HN 0.522 nan 8.370 nan 0.000 0.456 237 E N 0.197 120.193 120.200 -0.341 0.000 2.230 237 E HA -0.044 4.306 4.350 -0.001 0.000 0.192 237 E C 0.748 177.411 176.600 0.105 0.000 0.987 237 E CA 0.151 56.398 56.400 -0.256 0.000 0.841 237 E CB 0.070 29.668 29.700 -0.169 0.000 0.783 237 E HN 0.201 nan 8.360 nan 0.000 0.481 238 I N 2.747 123.349 120.570 0.052 0.000 2.416 238 I HA 0.062 4.231 4.170 -0.001 0.000 0.288 238 I C -0.073 176.051 176.117 0.012 0.000 1.051 238 I CA -0.612 60.710 61.300 0.037 0.000 1.375 238 I CB 0.988 38.999 38.000 0.019 0.000 1.407 238 I HN 0.119 nan 8.210 nan 0.000 0.516 239 I N 9.358 129.923 120.570 -0.008 0.000 2.301 239 I HA 0.263 4.432 4.170 -0.001 0.000 0.292 239 I C -2.126 173.992 176.117 0.001 0.000 1.046 239 I CA -2.580 58.687 61.300 -0.054 0.000 1.282 239 I CB 0.095 38.041 38.000 -0.090 0.000 1.409 239 I HN 0.173 nan 8.210 nan 0.000 0.484 240 P HA 0.109 nan 4.420 nan 0.000 0.268 240 P C -0.342 176.988 177.300 0.049 0.000 1.205 240 P CA -0.093 63.028 63.100 0.035 0.000 0.771 240 P CB 0.823 32.533 31.700 0.016 0.000 0.858 241 V N 4.702 124.682 119.914 0.110 0.000 2.357 241 V HA 0.198 4.318 4.120 -0.001 0.000 0.284 241 V C 0.345 176.499 176.094 0.100 0.000 1.018 241 V CA -0.550 61.811 62.300 0.102 0.000 0.841 241 V CB 1.009 32.910 31.823 0.131 0.000 0.991 241 V HN 0.426 nan 8.190 nan 0.000 0.437 242 K N 3.333 123.758 120.400 0.042 0.000 2.316 242 K HA 0.561 4.880 4.320 -0.001 0.000 0.289 242 K C 0.094 176.708 176.600 0.023 0.000 1.070 242 K CA -0.015 56.290 56.287 0.030 0.000 0.928 242 K CB 1.375 33.880 32.500 0.010 0.000 1.039 242 K HN 0.758 nan 8.250 nan 0.000 0.480 243 T N 1.204 115.780 114.554 0.036 0.000 2.587 243 T HA 0.370 4.720 4.350 -0.001 0.000 0.282 243 T C -1.799 172.903 174.700 0.005 0.000 1.018 243 T CA -0.838 61.272 62.100 0.017 0.000 1.120 243 T CB 0.955 69.852 68.868 0.049 0.000 1.538 243 T HN 0.658 nan 8.240 nan 0.000 0.480 244 K N 1.066 121.459 120.400 -0.011 0.000 2.426 244 K HA 0.774 5.094 4.320 -0.001 0.000 0.251 244 K C -1.920 174.670 176.600 -0.017 0.000 0.941 244 K CA -0.980 55.294 56.287 -0.021 0.000 0.808 244 K CB 2.044 34.519 32.500 -0.043 0.000 1.265 244 K HN 0.396 nan 8.250 nan 0.000 0.432 245 L N 2.334 123.546 121.223 -0.017 0.000 2.376 245 L HA 0.314 4.654 4.340 -0.001 0.000 0.275 245 L C -1.350 175.508 176.870 -0.021 0.000 0.987 245 L CA -0.671 54.158 54.840 -0.019 0.000 0.828 245 L CB 2.097 44.145 42.059 -0.019 0.000 1.249 245 L HN 0.562 nan 8.230 nan 0.000 0.409 246 V N 3.839 123.739 119.914 -0.023 0.000 2.427 246 V HA 0.174 4.294 4.120 -0.001 0.000 0.268 246 V C -0.046 176.038 176.094 -0.017 0.000 1.046 246 V CA -0.542 61.746 62.300 -0.020 0.000 0.970 246 V CB 1.042 32.853 31.823 -0.021 0.000 1.001 246 V HN 0.718 nan 8.190 nan 0.000 0.476 247 D N 7.818 128.209 120.400 -0.015 0.000 2.358 247 D HA 0.165 4.805 4.640 -0.001 0.000 0.258 247 D C -1.433 174.860 176.300 -0.012 0.000 1.223 247 D CA -1.912 52.080 54.000 -0.014 0.000 0.886 247 D CB 1.791 42.583 40.800 -0.012 0.000 1.120 247 D HN 0.222 nan 8.370 nan 0.000 0.482 248 P HA -0.121 nan 4.420 nan 0.000 0.219 248 P C 0.889 178.184 177.300 -0.009 0.000 1.146 248 P CA 1.236 64.330 63.100 -0.011 0.000 0.808 248 P CB 0.282 31.975 31.700 -0.012 0.000 0.779 249 K N -0.973 119.422 120.400 -0.009 0.000 2.103 249 K HA -0.050 4.269 4.320 -0.001 0.000 0.204 249 K C 1.953 178.549 176.600 -0.007 0.000 1.052 249 K CA 1.976 58.258 56.287 -0.008 0.000 0.945 249 K CB -0.413 32.082 32.500 -0.008 0.000 0.722 249 K HN 0.300 nan 8.250 nan 0.000 0.443 250 T N -4.821 109.729 114.554 -0.007 0.000 2.978 250 T HA 0.232 4.581 4.350 -0.001 0.000 0.248 250 T C 1.490 176.187 174.700 -0.005 0.000 1.018 250 T CA 0.498 62.595 62.100 -0.006 0.000 1.026 250 T CB 0.871 69.735 68.868 -0.006 0.000 1.032 250 T HN 0.282 nan 8.240 nan 0.000 0.485 251 G N 1.764 110.560 108.800 -0.006 0.000 2.199 251 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.254 251 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.254 251 G C -0.322 174.574 174.900 -0.006 0.000 0.982 251 G CA 0.084 45.181 45.100 -0.005 0.000 0.632 251 G HN 0.611 nan 8.290 nan 0.000 0.529 252 D N 1.540 121.936 120.400 -0.007 0.000 2.424 252 D HA 0.351 4.990 4.640 -0.001 0.000 0.244 252 D C 0.587 176.881 176.300 -0.011 0.000 1.134 252 D CA 0.384 54.380 54.000 -0.008 0.000 0.881 252 D CB 0.639 41.435 40.800 -0.007 0.000 1.191 252 D HN 0.528 nan 8.370 nan 0.000 0.445 253 E N 1.572 121.765 120.200 -0.012 0.000 2.044 253 E HA 0.133 4.483 4.350 -0.001 0.000 0.282 253 E C -0.063 176.528 176.600 -0.014 0.000 1.031 253 E CA -0.580 55.811 56.400 -0.016 0.000 0.824 253 E CB 0.765 30.454 29.700 -0.019 0.000 1.076 253 E HN 0.286 nan 8.360 nan 0.000 0.395 254 K N 2.721 123.112 120.400 -0.014 0.000 2.183 254 K HA 0.422 4.742 4.320 -0.001 0.000 0.274 254 K C -2.699 173.894 176.600 -0.012 0.000 1.009 254 K CA -2.101 54.179 56.287 -0.012 0.000 0.888 254 K CB 0.846 33.339 32.500 -0.012 0.000 1.078 254 K HN 0.002 nan 8.250 nan 0.000 0.459 255 P HA 0.050 nan 4.420 nan 0.000 0.268 255 P C -0.838 176.459 177.300 -0.005 0.000 1.204 255 P CA -0.022 63.074 63.100 -0.007 0.000 0.768 255 P CB 0.504 32.201 31.700 -0.005 0.000 0.842 256 I N 1.812 122.382 120.570 0.000 0.000 2.686 256 I HA 0.292 4.462 4.170 -0.001 0.000 0.295 256 I C -0.772 175.353 176.117 0.014 0.000 1.114 256 I CA -0.513 60.787 61.300 0.001 0.000 1.038 256 I CB 2.292 40.291 38.000 -0.003 0.000 1.238 256 I HN 0.140 nan 8.210 nan 0.000 0.420 257 T N 5.623 120.183 114.554 0.009 0.000 2.791 257 T HA 0.383 4.733 4.350 -0.001 0.000 0.288 257 T C -0.534 174.174 174.700 0.013 0.000 0.999 257 T CA -0.321 61.792 62.100 0.023 0.000 0.952 257 T CB 1.336 70.212 68.868 0.013 0.000 0.938 257 T HN 0.196 nan 8.240 nan 0.000 0.444 258 V N 3.948 123.885 119.914 0.039 0.000 2.461 258 V HA 0.363 4.482 4.120 -0.001 0.000 0.275 258 V C 1.104 177.200 176.094 0.003 0.000 1.047 258 V CA -0.117 62.165 62.300 -0.031 0.000 0.955 258 V CB 1.213 32.937 31.823 -0.166 0.000 0.988 258 V HN 1.086 nan 8.190 nan 0.000 0.471 259 S N 2.878 118.560 115.700 -0.030 0.000 2.649 259 S HA 0.300 4.770 4.470 -0.001 0.000 0.246 259 S C 0.006 174.596 174.600 -0.017 0.000 1.057 259 S CA -0.188 58.008 58.200 -0.007 0.000 1.051 259 S CB 0.697 63.898 63.200 0.001 0.000 1.018 259 S HN 0.366 nan 8.310 nan 0.000 0.569 260 V N 2.625 122.508 119.914 -0.051 0.000 2.823 260 V HA 0.442 4.561 4.120 -0.001 0.000 0.312 260 V C -1.202 174.828 176.094 -0.105 0.000 1.072 260 V CA -1.008 61.264 62.300 -0.046 0.000 0.937 260 V CB 1.910 33.721 31.823 -0.019 0.000 1.013 260 V HN 0.307 nan 8.190 nan 0.000 0.430 261 D N 3.061 123.399 120.400 -0.104 0.000 2.358 261 D HA 0.079 4.718 4.640 -0.001 0.000 0.258 261 D C 0.336 176.580 176.300 -0.093 0.000 1.223 261 D CA 0.046 53.967 54.000 -0.131 0.000 0.886 261 D CB 1.489 42.191 40.800 -0.164 0.000 1.120 261 D HN 0.799 nan 8.370 nan 0.000 0.482 262 D N 1.221 121.548 120.400 -0.122 0.000 2.355 262 D HA -0.043 4.596 4.640 -0.001 0.000 0.218 262 D C 1.663 177.935 176.300 -0.046 0.000 1.004 262 D CA -0.073 53.871 54.000 -0.093 0.000 0.880 262 D CB -0.113 40.605 40.800 -0.137 0.000 0.911 262 D HN 0.438 nan 8.370 nan 0.000 0.528 263 G N 0.265 109.045 108.800 -0.033 0.000 2.712 263 G HA2 0.088 4.047 3.960 -0.001 0.000 0.212 263 G HA3 0.088 4.047 3.960 -0.001 0.000 0.212 263 G C 0.767 175.718 174.900 0.084 0.000 1.142 263 G CA -0.336 44.772 45.100 0.012 0.000 0.789 263 G HN 0.301 nan 8.290 nan 0.000 0.535 264 I N 1.659 122.275 120.570 0.076 0.000 2.683 264 I HA 0.127 4.297 4.170 -0.001 0.000 0.286 264 I C 0.084 176.303 176.117 0.170 0.000 1.175 264 I CA 0.073 61.478 61.300 0.176 0.000 1.429 264 I CB 0.688 38.755 38.000 0.113 0.000 1.371 264 I HN -0.100 nan 8.210 nan 0.000 0.569 265 R N 7.387 128.034 120.500 0.245 0.000 2.402 265 R HA 0.271 4.611 4.340 -0.001 0.000 0.290 265 R C -2.104 174.159 176.300 -0.063 0.000 1.321 265 R CA -1.864 54.202 56.100 -0.057 0.000 1.283 265 R CB 0.744 30.864 30.300 -0.300 0.000 1.111 265 R HN 0.339 nan 8.270 nan 0.000 0.578 266 P HA -0.143 nan 4.420 nan 0.000 0.219 266 P C 1.260 178.550 177.300 -0.016 0.000 1.146 266 P CA 1.425 64.537 63.100 0.020 0.000 0.808 266 P CB 0.295 32.007 31.700 0.020 0.000 0.779 267 T N -5.797 108.729 114.554 -0.046 0.000 3.118 267 T HA 0.008 4.357 4.350 -0.001 0.000 0.260 267 T C 0.730 175.388 174.700 -0.070 0.000 1.139 267 T CA 0.195 62.266 62.100 -0.048 0.000 1.085 267 T CB -1.441 67.400 68.868 -0.045 0.000 0.934 267 T HN -0.041 nan 8.240 nan 0.000 0.518 268 T N 4.045 118.524 114.554 -0.125 0.000 2.822 268 T HA 0.295 4.644 4.350 -0.001 0.000 0.288 268 T C 0.559 175.225 174.700 -0.057 0.000 0.991 268 T CA 0.472 62.485 62.100 -0.144 0.000 1.176 268 T CB 0.126 68.818 68.868 -0.294 0.000 0.951 268 T HN 0.732 nan 8.240 nan 0.000 0.526 269 T N 0.883 115.413 114.554 -0.040 0.000 2.926 269 T HA 0.523 4.873 4.350 -0.001 0.000 0.289 269 T C 1.436 176.134 174.700 -0.004 0.000 1.054 269 T CA -1.155 60.937 62.100 -0.013 0.000 1.015 269 T CB 1.075 69.937 68.868 -0.010 0.000 1.167 269 T HN 0.308 nan 8.240 nan 0.000 0.526 270 L N 0.599 121.827 121.223 0.009 0.000 2.081 270 L HA -0.133 4.207 4.340 -0.001 0.000 0.212 270 L C 3.095 179.969 176.870 0.008 0.000 1.080 270 L CA 2.030 56.879 54.840 0.014 0.000 0.754 270 L CB -0.918 41.152 42.059 0.019 0.000 0.893 270 L HN 0.982 nan 8.230 nan 0.000 0.433 271 A N -0.261 122.561 122.820 0.003 0.000 1.898 271 A HA -0.216 4.104 4.320 -0.001 0.000 0.216 271 A C 2.506 180.086 177.584 -0.006 0.000 1.181 271 A CA 1.914 53.951 52.037 -0.000 0.000 0.620 271 A CB -0.632 18.367 19.000 -0.001 0.000 0.819 271 A HN 0.539 nan 8.150 nan 0.000 0.442 272 S N -0.231 115.461 115.700 -0.013 0.000 2.383 272 S HA -0.029 4.440 4.470 -0.001 0.000 0.227 272 S C 1.863 176.451 174.600 -0.020 0.000 1.026 272 S CA 1.356 59.543 58.200 -0.022 0.000 0.981 272 S CB -0.571 62.606 63.200 -0.037 0.000 0.818 272 S HN 0.432 nan 8.310 nan 0.000 0.472 273 L N 0.965 122.179 121.223 -0.014 0.000 2.240 273 L HA 0.177 4.516 4.340 -0.001 0.000 0.211 273 L C 2.792 179.665 176.870 0.005 0.000 1.106 273 L CA 0.859 55.696 54.840 -0.005 0.000 0.793 273 L CB -0.823 41.240 42.059 0.006 0.000 0.927 273 L HN 0.544 nan 8.230 nan 0.000 0.446 274 G N -0.374 108.430 108.800 0.007 0.000 2.679 274 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.212 274 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.212 274 G C 1.564 176.469 174.900 0.007 0.000 1.137 274 G CA 0.100 45.206 45.100 0.011 0.000 0.787 274 G HN 0.287 nan 8.290 nan 0.000 0.534 275 K N -0.550 119.851 120.400 0.001 0.000 2.361 275 K HA 0.264 4.584 4.320 -0.001 0.000 0.196 275 K C 0.543 177.141 176.600 -0.002 0.000 1.039 275 K CA -0.202 56.085 56.287 -0.001 0.000 1.001 275 K CB 0.170 32.666 32.500 -0.006 0.000 0.795 275 K HN 0.232 nan 8.250 nan 0.000 0.495 276 L N 2.827 124.049 121.223 -0.003 0.000 2.371 276 L HA 0.126 4.466 4.340 -0.001 0.000 0.272 276 L C 0.228 177.096 176.870 -0.004 0.000 1.124 276 L CA -0.453 54.384 54.840 -0.006 0.000 0.816 276 L CB 0.659 42.714 42.059 -0.008 0.000 1.129 276 L HN 0.099 nan 8.230 nan 0.000 0.448 277 K N 3.094 123.488 120.400 -0.009 0.000 2.144 277 K HA 0.470 4.789 4.320 -0.001 0.000 0.270 277 K C -2.541 174.047 176.600 -0.021 0.000 1.005 277 K CA -1.787 54.495 56.287 -0.009 0.000 0.932 277 K CB 0.500 32.996 32.500 -0.007 0.000 1.021 277 K HN 0.225 nan 8.250 nan 0.000 0.462 278 P HA -0.102 nan 4.420 nan 0.000 0.266 278 P C 0.185 177.439 177.300 -0.077 0.000 1.195 278 P CA -0.312 62.770 63.100 -0.030 0.000 0.768 278 P CB 1.141 32.847 31.700 0.010 0.000 0.838 279 V N 1.945 121.739 119.914 -0.201 0.000 3.431 279 V HA 0.023 4.142 4.120 -0.001 0.000 0.253 279 V C 1.334 177.245 176.094 -0.305 0.000 1.184 279 V CA 0.951 63.058 62.300 -0.322 0.000 1.104 279 V CB -0.571 30.964 31.823 -0.480 0.000 0.799 279 V HN 0.409 nan 8.190 nan 0.000 0.462 280 F N 1.030 121.010 119.950 0.050 0.000 2.389 280 F HA 0.309 4.835 4.527 -0.001 0.000 0.275 280 F C 1.165 176.977 175.800 0.020 0.000 1.009 280 F CA 0.029 58.048 58.000 0.030 0.000 1.187 280 F CB 0.096 39.102 39.000 0.010 0.000 1.139 280 F HN -0.056 nan 8.300 nan 0.000 0.613 281 K N 0.578 121.111 120.400 0.222 0.000 2.281 281 K HA 0.363 4.683 4.320 -0.001 0.000 0.242 281 K C 0.115 176.762 176.600 0.078 0.000 0.971 281 K CA -0.795 55.565 56.287 0.122 0.000 0.834 281 K CB 2.509 35.067 32.500 0.097 0.000 1.181 281 K HN -0.093 nan 8.250 nan 0.000 0.435 282 K N 0.350 120.783 120.400 0.055 0.000 2.074 282 K HA -0.211 4.109 4.320 -0.001 0.000 0.209 282 K C 0.087 176.707 176.600 0.034 0.000 1.048 282 K CA 2.206 58.516 56.287 0.038 0.000 0.926 282 K CB -0.037 32.481 32.500 0.030 0.000 0.713 282 K HN 0.692 nan 8.250 nan 0.000 0.444 283 D N -0.044 120.377 120.400 0.036 0.000 2.894 283 D HA 0.200 4.839 4.640 -0.001 0.000 0.273 283 D C -0.633 175.693 176.300 0.044 0.000 1.328 283 D CA -0.154 53.866 54.000 0.034 0.000 0.845 283 D CB 0.472 41.287 40.800 0.025 0.000 1.072 283 D HN 0.292 nan 8.370 nan 0.000 0.484 284 G N -1.135 107.701 108.800 0.059 0.000 2.504 284 G HA2 0.329 4.289 3.960 -0.001 0.000 0.288 284 G HA3 0.329 4.289 3.960 -0.001 0.000 0.288 284 G C 1.157 176.100 174.900 0.073 0.000 1.182 284 G CA -0.221 44.927 45.100 0.081 0.000 0.894 284 G HN 0.181 nan 8.290 nan 0.000 0.521 285 T N -2.671 111.935 114.554 0.088 0.000 3.057 285 T HA 0.103 4.452 4.350 -0.001 0.000 0.254 285 T C 1.019 175.776 174.700 0.095 0.000 1.094 285 T CA 0.362 62.511 62.100 0.082 0.000 1.088 285 T CB -0.007 68.912 68.868 0.085 0.000 0.934 285 T HN 0.309 nan 8.240 nan 0.000 0.497 286 T N 3.758 118.387 114.554 0.125 0.000 2.814 286 T HA 0.473 4.823 4.350 -0.001 0.000 0.297 286 T C 0.502 175.195 174.700 -0.011 0.000 0.956 286 T CA -0.221 61.953 62.100 0.123 0.000 1.123 286 T CB 1.050 70.081 68.868 0.272 0.000 0.902 286 T HN 0.656 nan 8.240 nan 0.000 0.528 287 T N -0.269 114.285 114.554 0.000 0.000 2.841 287 T HA 0.692 5.041 4.350 -0.001 0.000 0.276 287 T C 1.628 176.300 174.700 -0.047 0.000 1.003 287 T CA -0.372 61.702 62.100 -0.045 0.000 0.995 287 T CB 1.097 69.959 68.868 -0.010 0.000 1.260 287 T HN 0.345 nan 8.240 nan 0.000 0.581 288 A N -0.274 122.518 122.820 -0.046 0.000 2.067 288 A HA 0.277 4.596 4.320 -0.001 0.000 0.219 288 A C 2.202 179.783 177.584 -0.005 0.000 1.158 288 A CA 1.551 53.571 52.037 -0.029 0.000 0.661 288 A CB -1.456 17.530 19.000 -0.022 0.000 0.801 288 A HN 1.057 nan 8.150 nan 0.000 0.452 289 G N 0.665 109.467 108.800 0.004 0.000 2.426 289 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.214 289 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.214 289 G C 0.943 175.870 174.900 0.046 0.000 1.156 289 G CA 0.805 45.918 45.100 0.022 0.000 0.802 289 G HN 0.730 nan 8.290 nan 0.000 0.534 290 N N 0.241 118.970 118.700 0.047 0.000 2.279 290 N HA 0.159 4.898 4.740 -0.001 0.000 0.226 290 N C 0.215 175.768 175.510 0.071 0.000 1.126 290 N CA 0.144 53.235 53.050 0.069 0.000 0.846 290 N CB 0.362 38.904 38.487 0.093 0.000 1.050 290 N HN 0.266 nan 8.380 nan 0.000 0.502 291 S N -2.217 113.488 115.700 0.009 0.000 2.661 291 S HA 0.701 5.171 4.470 -0.001 0.000 0.285 291 S C -0.674 173.805 174.600 -0.201 0.000 1.138 291 S CA -0.801 57.316 58.200 -0.138 0.000 0.855 291 S CB 1.488 64.637 63.200 -0.084 0.000 1.136 291 S HN -0.021 nan 8.310 nan 0.000 0.484 292 S N 0.659 116.142 115.700 -0.361 0.000 2.617 292 S HA 0.584 5.054 4.470 -0.001 0.000 0.283 292 S C -0.675 173.862 174.600 -0.105 0.000 1.189 292 S CA -0.570 57.510 58.200 -0.200 0.000 1.036 292 S CB 1.153 64.222 63.200 -0.217 0.000 1.014 292 S HN 0.682 nan 8.310 nan 0.000 0.522 293 Q N 0.969 120.758 119.800 -0.017 0.000 2.306 293 Q HA 0.498 4.838 4.340 -0.001 0.000 0.265 293 Q C -0.928 175.099 176.000 0.045 0.000 1.022 293 Q CA -0.602 55.215 55.803 0.023 0.000 0.853 293 Q CB 1.405 30.160 28.738 0.029 0.000 1.327 293 Q HN 0.476 nan 8.270 nan 0.000 0.449 294 V N 2.195 122.131 119.914 0.037 0.000 2.617 294 V HA 0.108 4.228 4.120 -0.001 0.000 0.304 294 V C -0.216 175.896 176.094 0.029 0.000 1.040 294 V CA 0.486 62.789 62.300 0.005 0.000 1.149 294 V CB 0.401 32.233 31.823 0.015 0.000 0.914 294 V HN 0.707 nan 8.190 nan 0.000 0.487 295 S N 2.852 118.566 115.700 0.022 0.000 2.568 295 S HA 0.459 4.928 4.470 -0.001 0.000 0.293 295 S C -0.878 173.761 174.600 0.065 0.000 1.089 295 S CA -0.891 57.336 58.200 0.046 0.000 0.945 295 S CB 1.610 64.832 63.200 0.038 0.000 1.077 295 S HN 0.781 nan 8.310 nan 0.000 0.485 296 D N 1.154 121.628 120.400 0.124 0.000 2.304 296 D HA 0.659 5.299 4.640 -0.001 0.000 0.250 296 D C 0.455 176.881 176.300 0.209 0.000 1.107 296 D CA 0.373 54.469 54.000 0.160 0.000 0.885 296 D CB 1.402 42.348 40.800 0.244 0.000 1.192 296 D HN 0.764 nan 8.370 nan 0.000 0.436 297 G N -0.750 108.101 108.800 0.085 0.000 2.313 297 G HA2 0.596 4.555 3.960 -0.001 0.000 0.296 297 G HA3 0.596 4.555 3.960 -0.001 0.000 0.296 297 G C -1.992 172.905 174.900 -0.006 0.000 1.356 297 G CA -0.209 44.929 45.100 0.062 0.000 0.833 297 G HN 0.627 nan 8.290 nan 0.000 0.552 298 A N -1.425 121.390 122.820 -0.008 0.000 2.572 298 A HA 1.041 5.360 4.320 -0.001 0.000 0.295 298 A C -0.098 177.490 177.584 0.007 0.000 1.072 298 A CA 0.153 52.181 52.037 -0.015 0.000 0.691 298 A CB 1.836 20.811 19.000 -0.043 0.000 1.291 298 A HN 2.357 nan 8.150 nan 0.000 0.404 299 G N -0.847 107.959 108.800 0.010 0.000 2.659 299 G HA2 0.883 4.842 3.960 -0.001 0.000 0.296 299 G HA3 0.883 4.842 3.960 -0.001 0.000 0.296 299 G C -0.866 174.046 174.900 0.020 0.000 1.369 299 G CA 0.070 45.183 45.100 0.022 0.000 0.937 299 G HN 2.011 nan 8.290 nan 0.000 0.485 300 A N 0.014 122.855 122.820 0.035 0.000 2.547 300 A HA 0.776 5.096 4.320 -0.001 0.000 0.297 300 A C -1.468 176.133 177.584 0.028 0.000 1.056 300 A CA -0.522 51.532 52.037 0.028 0.000 0.688 300 A CB 1.957 20.978 19.000 0.035 0.000 1.282 300 A HN 1.403 nan 8.150 nan 0.000 0.400 301 V N 2.135 122.055 119.914 0.010 0.000 2.531 301 V HA 0.484 4.603 4.120 -0.001 0.000 0.301 301 V C -0.838 175.267 176.094 0.019 0.000 1.034 301 V CA -0.451 61.845 62.300 -0.007 0.000 0.865 301 V CB 1.474 33.276 31.823 -0.036 0.000 0.995 301 V HN 0.853 nan 8.190 nan 0.000 0.424 302 L N 6.842 128.082 121.223 0.029 0.000 2.255 302 L HA 0.632 4.972 4.340 -0.001 0.000 0.289 302 L C -0.749 176.149 176.870 0.047 0.000 1.046 302 L CA 0.344 55.214 54.840 0.050 0.000 0.816 302 L CB 0.652 42.754 42.059 0.072 0.000 1.197 302 L HN 0.513 nan 8.230 nan 0.000 0.427 303 L N 6.493 127.755 121.223 0.065 0.000 2.334 303 L HA 0.766 5.106 4.340 -0.001 0.000 0.272 303 L C 0.093 177.014 176.870 0.085 0.000 1.020 303 L CA -0.201 54.684 54.840 0.075 0.000 0.812 303 L CB 1.739 43.852 42.059 0.090 0.000 1.264 303 L HN 0.760 nan 8.230 nan 0.000 0.439 304 M N -0.631 119.012 119.600 0.072 0.000 2.773 304 M HA 0.525 5.005 4.480 -0.001 0.000 0.270 304 M C -1.045 175.285 176.300 0.050 0.000 1.238 304 M CA -1.043 54.301 55.300 0.074 0.000 0.832 304 M CB 1.803 34.446 32.600 0.071 0.000 1.672 304 M HN 0.250 nan 8.290 nan 0.000 0.480 305 K N 1.023 121.450 120.400 0.045 0.000 2.401 305 K HA 0.144 4.464 4.320 -0.001 0.000 0.278 305 K C 1.010 177.628 176.600 0.031 0.000 1.018 305 K CA 0.086 56.389 56.287 0.027 0.000 0.981 305 K CB 0.933 33.446 32.500 0.022 0.000 0.933 305 K HN 0.782 nan 8.250 nan 0.000 0.477 306 R N 2.089 122.606 120.500 0.028 0.000 2.119 306 R HA -0.220 4.119 4.340 -0.001 0.000 0.246 306 R C 1.766 178.081 176.300 0.025 0.000 1.146 306 R CA 2.517 58.634 56.100 0.029 0.000 0.962 306 R CB -0.255 30.062 30.300 0.029 0.000 0.863 306 R HN 0.814 nan 8.270 nan 0.000 0.442 307 S N -0.415 115.299 115.700 0.023 0.000 2.406 307 S HA -0.098 4.371 4.470 -0.001 0.000 0.228 307 S C 2.026 176.641 174.600 0.024 0.000 1.020 307 S CA 0.984 59.197 58.200 0.021 0.000 0.965 307 S CB -0.316 62.895 63.200 0.018 0.000 0.798 307 S HN 0.295 nan 8.310 nan 0.000 0.488 308 V N 1.960 121.892 119.914 0.029 0.000 2.379 308 V HA 0.131 4.250 4.120 -0.001 0.000 0.245 308 V C 2.693 178.806 176.094 0.031 0.000 1.044 308 V CA 1.632 63.951 62.300 0.033 0.000 1.036 308 V CB -1.123 30.725 31.823 0.043 0.000 0.664 308 V HN 0.565 nan 8.190 nan 0.000 0.453 309 A N -0.021 122.818 122.820 0.032 0.000 1.940 309 A HA -0.236 4.084 4.320 -0.001 0.000 0.219 309 A C 2.261 179.858 177.584 0.022 0.000 1.176 309 A CA 2.565 54.619 52.037 0.028 0.000 0.631 309 A CB -0.569 18.448 19.000 0.028 0.000 0.814 309 A HN 0.613 nan 8.150 nan 0.000 0.446 310 M N -0.784 118.829 119.600 0.021 0.000 2.099 310 M HA -0.206 4.274 4.480 -0.001 0.000 0.262 310 M C 2.481 178.790 176.300 0.016 0.000 1.067 310 M CA 1.931 57.242 55.300 0.017 0.000 1.124 310 M CB -0.394 32.216 32.600 0.016 0.000 1.353 310 M HN 0.711 nan 8.290 nan 0.000 0.410 311 Q N 0.539 120.350 119.800 0.018 0.000 2.226 311 Q HA -0.129 4.210 4.340 -0.001 0.000 0.204 311 Q C 1.339 177.348 176.000 0.016 0.000 0.975 311 Q CA 1.548 57.361 55.803 0.016 0.000 0.866 311 Q CB -0.417 28.331 28.738 0.017 0.000 0.915 311 Q HN 0.370 nan 8.270 nan 0.000 0.440 312 K N -0.240 120.171 120.400 0.018 0.000 2.400 312 K HA 0.148 4.468 4.320 -0.001 0.000 0.194 312 K C 0.614 177.223 176.600 0.015 0.000 1.033 312 K CA 0.459 56.756 56.287 0.017 0.000 1.021 312 K CB 0.117 32.630 32.500 0.021 0.000 0.808 312 K HN 0.478 nan 8.250 nan 0.000 0.505 313 G N 1.912 110.721 108.800 0.014 0.000 2.176 313 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.252 313 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.252 313 G C -0.159 174.749 174.900 0.014 0.000 1.024 313 G CA -0.132 44.975 45.100 0.012 0.000 0.755 313 G HN 0.155 nan 8.290 nan 0.000 0.507 314 L N 0.782 122.014 121.223 0.016 0.000 2.265 314 L HA 0.378 4.718 4.340 -0.001 0.000 0.288 314 L C -1.609 175.269 176.870 0.013 0.000 1.058 314 L CA -2.089 52.762 54.840 0.018 0.000 0.809 314 L CB 1.091 43.163 42.059 0.022 0.000 1.179 314 L HN -0.088 nan 8.230 nan 0.000 0.429 315 P HA 0.006 nan 4.420 nan 0.000 0.266 315 P C -0.617 176.681 177.300 -0.003 0.000 1.195 315 P CA -0.223 62.879 63.100 0.003 0.000 0.768 315 P CB 0.566 32.268 31.700 0.003 0.000 0.838 316 V N 4.565 124.475 119.914 -0.007 0.000 2.432 316 V HA 0.018 4.138 4.120 -0.001 0.000 0.271 316 V C 1.459 177.530 176.094 -0.038 0.000 1.046 316 V CA 0.010 62.303 62.300 -0.012 0.000 0.945 316 V CB 0.837 32.660 31.823 0.001 0.000 0.992 316 V HN 0.535 nan 8.190 nan 0.000 0.471 317 L N 5.195 126.379 121.223 -0.066 0.000 2.127 317 L HA 0.499 4.838 4.340 -0.001 0.000 0.203 317 L C 0.959 177.758 176.870 -0.117 0.000 1.080 317 L CA 1.786 56.549 54.840 -0.129 0.000 0.768 317 L CB -0.173 41.757 42.059 -0.216 0.000 0.924 317 L HN 0.734 nan 8.230 nan 0.000 0.444 318 G N -1.672 107.088 108.800 -0.067 0.000 2.704 318 G HA2 0.548 4.508 3.960 -0.001 0.000 0.293 318 G HA3 0.548 4.508 3.960 -0.001 0.000 0.293 318 G C -2.023 172.936 174.900 0.098 0.000 1.421 318 G CA -0.382 44.717 45.100 -0.002 0.000 0.870 318 G HN -0.127 nan 8.290 nan 0.000 0.492 319 V N 1.261 121.279 119.914 0.173 0.000 2.384 319 V HA 0.387 4.506 4.120 -0.001 0.000 0.287 319 V C -0.492 175.800 176.094 0.329 0.000 1.020 319 V CA -0.641 61.783 62.300 0.207 0.000 0.850 319 V CB 1.472 33.388 31.823 0.155 0.000 0.987 319 V HN 0.673 nan 8.190 nan 0.000 0.436 320 F N 5.502 125.521 119.950 0.115 0.000 2.438 320 F HA 0.300 4.827 4.527 -0.001 0.000 0.360 320 F C 1.384 177.215 175.800 0.053 0.000 1.118 320 F CA -0.680 57.289 58.000 -0.051 0.000 1.164 320 F CB 0.597 39.486 39.000 -0.185 0.000 1.131 320 F HN 0.557 nan 8.300 nan 0.000 0.527 321 R N 2.106 122.825 120.500 0.365 0.000 2.055 321 R HA 0.105 4.445 4.340 -0.001 0.000 0.221 321 R C 0.470 176.834 176.300 0.106 0.000 1.154 321 R CA 1.031 57.255 56.100 0.206 0.000 0.975 321 R CB -0.572 29.805 30.300 0.129 0.000 0.869 321 R HN 0.637 nan 8.270 nan 0.000 0.437 322 T N -2.657 111.940 114.554 0.070 0.000 2.889 322 T HA 0.596 4.945 4.350 -0.001 0.000 0.315 322 T C -1.169 173.559 174.700 0.046 0.000 1.291 322 T CA -0.803 61.214 62.100 -0.139 0.000 1.028 322 T CB 1.922 70.711 68.868 -0.131 0.000 1.235 322 T HN 0.015 nan 8.240 nan 0.000 0.491 323 F N 1.330 121.136 119.950 -0.240 0.000 2.556 323 F HA 0.795 5.322 4.527 -0.001 0.000 0.314 323 F C -1.014 174.742 175.800 -0.074 0.000 1.106 323 F CA -0.592 57.385 58.000 -0.038 0.000 0.911 323 F CB 1.781 40.811 39.000 0.049 0.000 1.190 323 F HN 1.101 nan 8.300 nan 0.000 0.448 324 A N 4.036 126.373 122.820 -0.805 0.000 2.371 324 A HA 0.913 5.232 4.320 -0.001 0.000 0.311 324 A C -1.580 175.471 177.584 -0.888 0.000 1.068 324 A CA -0.315 51.348 52.037 -0.624 0.000 0.744 324 A CB 1.104 19.905 19.000 -0.331 0.000 1.239 324 A HN 1.334 nan 8.150 nan 0.000 0.435 325 A N 1.509 124.056 122.820 -0.455 0.000 2.331 325 A HA 0.753 5.072 4.320 -0.001 0.000 0.320 325 A C -0.324 177.148 177.584 -0.186 0.000 1.138 325 A CA -0.276 51.630 52.037 -0.219 0.000 0.790 325 A CB 0.982 20.050 19.000 0.114 0.000 1.206 325 A HN 2.142 nan 8.150 nan 0.000 0.470 326 V N 0.235 120.003 119.914 -0.244 0.000 2.656 326 V HA 0.911 5.030 4.120 -0.001 0.000 0.307 326 V C 0.242 176.036 176.094 -0.499 0.000 1.051 326 V CA -0.213 61.854 62.300 -0.389 0.000 0.893 326 V CB 1.349 33.018 31.823 -0.257 0.000 0.999 326 V HN 1.304 nan 8.190 nan 0.000 0.426 327 G N 3.052 111.270 108.800 -0.971 0.000 2.339 327 G HA2 0.569 4.528 3.960 -0.001 0.000 0.287 327 G HA3 0.569 4.528 3.960 -0.001 0.000 0.287 327 G C -0.136 174.596 174.900 -0.279 0.000 1.163 327 G CA -0.015 44.717 45.100 -0.613 0.000 0.872 327 G HN 1.700 nan 8.290 nan 0.000 0.464 328 V N 0.780 120.618 119.914 -0.126 0.000 2.997 328 V HA 0.481 4.600 4.120 -0.001 0.000 0.311 328 V C 0.313 176.393 176.094 -0.023 0.000 1.066 328 V CA -1.322 60.938 62.300 -0.067 0.000 1.039 328 V CB 1.789 33.588 31.823 -0.040 0.000 1.081 328 V HN 0.575 nan 8.190 nan 0.000 0.467 329 D N 4.046 124.440 120.400 -0.010 0.000 2.520 329 D HA 0.090 4.730 4.640 -0.001 0.000 0.243 329 D C -1.239 175.064 176.300 0.006 0.000 1.160 329 D CA -1.301 52.703 54.000 0.006 0.000 0.877 329 D CB 1.609 42.418 40.800 0.014 0.000 1.150 329 D HN 0.562 nan 8.370 nan 0.000 0.494 330 P HA -0.111 nan 4.420 nan 0.000 0.225 330 P C 0.895 178.191 177.300 -0.007 0.000 1.148 330 P CA 0.642 63.744 63.100 0.003 0.000 0.779 330 P CB 0.132 31.837 31.700 0.009 0.000 0.780 331 A N -0.223 122.595 122.820 -0.003 0.000 2.067 331 A HA -0.022 4.298 4.320 -0.001 0.000 0.219 331 A C 1.369 178.945 177.584 -0.014 0.000 1.158 331 A CA 0.935 52.965 52.037 -0.010 0.000 0.661 331 A CB -0.832 18.166 19.000 -0.004 0.000 0.801 331 A HN 0.259 nan 8.150 nan 0.000 0.452 332 I N -0.779 119.789 120.570 -0.004 0.000 2.796 332 I HA 0.283 4.453 4.170 -0.001 0.000 0.277 332 I C -0.410 175.692 176.117 -0.025 0.000 1.331 332 I CA 0.006 61.304 61.300 -0.002 0.000 0.983 332 I CB 1.030 39.069 38.000 0.065 0.000 1.410 332 I HN 0.085 nan 8.210 nan 0.000 0.561 333 M N 1.992 121.567 119.600 -0.042 0.000 2.267 333 M HA 0.583 5.062 4.480 -0.001 0.000 0.303 333 M C 1.414 177.678 176.300 -0.060 0.000 1.164 333 M CA 0.693 55.968 55.300 -0.042 0.000 1.060 333 M CB 1.248 33.825 32.600 -0.039 0.000 1.455 333 M HN 0.695 nan 8.290 nan 0.000 0.483 334 G N 1.059 109.837 108.800 -0.036 0.000 2.217 334 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.246 334 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.246 334 G C 0.332 175.235 174.900 0.005 0.000 0.990 334 G CA 0.578 45.664 45.100 -0.023 0.000 0.627 334 G HN 0.825 nan 8.290 nan 0.000 0.522 335 I N -0.332 120.232 120.570 -0.010 0.000 3.855 335 I HA 0.615 4.785 4.170 -0.001 0.000 0.327 335 I C 2.022 178.173 176.117 0.058 0.000 1.359 335 I CA 0.682 62.008 61.300 0.043 0.000 1.142 335 I CB -0.312 37.698 38.000 0.017 0.000 1.041 335 I HN 0.157 nan 8.210 nan 0.000 0.403 336 G N 2.867 111.689 108.800 0.036 0.000 2.808 336 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.225 336 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.225 336 G C -0.353 174.555 174.900 0.013 0.000 1.210 336 G CA 1.674 46.786 45.100 0.020 0.000 0.777 336 G HN 0.400 nan 8.290 nan 0.000 0.640 337 P HA -0.072 nan 4.420 nan 0.000 0.217 337 P C 2.033 179.324 177.300 -0.016 0.000 1.148 337 P CA 2.059 65.173 63.100 0.023 0.000 0.828 337 P CB -0.226 31.505 31.700 0.051 0.000 0.783 338 A N -1.202 121.608 122.820 -0.017 0.000 2.015 338 A HA -0.086 4.233 4.320 -0.001 0.000 0.219 338 A C 2.175 179.722 177.584 -0.063 0.000 1.163 338 A CA 1.450 53.447 52.037 -0.067 0.000 0.646 338 A CB -1.258 17.711 19.000 -0.052 0.000 0.806 338 A HN 0.082 nan 8.150 nan 0.000 0.448 339 V N -1.133 118.755 119.914 -0.043 0.000 2.685 339 V HA 0.019 4.139 4.120 -0.001 0.000 0.244 339 V C 2.848 178.896 176.094 -0.077 0.000 1.054 339 V CA 1.342 63.606 62.300 -0.060 0.000 1.076 339 V CB -0.508 31.279 31.823 -0.061 0.000 0.725 339 V HN 0.529 nan 8.190 nan 0.000 0.467 340 A N 0.035 122.808 122.820 -0.077 0.000 1.968 340 A HA -0.047 4.273 4.320 -0.001 0.000 0.217 340 A C 2.123 179.658 177.584 -0.082 0.000 1.169 340 A CA 1.242 53.215 52.037 -0.107 0.000 0.638 340 A CB -0.409 18.517 19.000 -0.124 0.000 0.812 340 A HN 0.463 nan 8.150 nan 0.000 0.446 341 I N 0.305 120.856 120.570 -0.032 0.000 2.127 341 I HA -0.171 3.998 4.170 -0.001 0.000 0.241 341 I C -0.560 175.555 176.117 -0.004 0.000 1.075 341 I CA 1.520 62.831 61.300 0.018 0.000 1.334 341 I CB -1.067 36.974 38.000 0.069 0.000 1.040 341 I HN 0.210 nan 8.210 nan 0.000 0.405 342 P HA -0.152 nan 4.420 nan 0.000 0.218 342 P C 1.386 178.652 177.300 -0.058 0.000 1.149 342 P CA 1.750 64.827 63.100 -0.040 0.000 0.817 342 P CB -0.073 31.595 31.700 -0.053 0.000 0.785 343 A N 0.271 123.045 122.820 -0.076 0.000 1.877 343 A HA -0.077 4.242 4.320 -0.001 0.000 0.216 343 A C 2.374 179.894 177.584 -0.107 0.000 1.186 343 A CA 2.213 54.192 52.037 -0.096 0.000 0.620 343 A CB -1.557 17.371 19.000 -0.120 0.000 0.822 343 A HN 0.210 nan 8.150 nan 0.000 0.443 344 A N -0.767 121.986 122.820 -0.111 0.000 1.929 344 A HA 0.096 4.416 4.320 -0.001 0.000 0.216 344 A C 2.213 179.744 177.584 -0.090 0.000 1.176 344 A CA 1.538 53.508 52.037 -0.111 0.000 0.628 344 A CB -0.829 18.110 19.000 -0.102 0.000 0.816 344 A HN 0.347 nan 8.150 nan 0.000 0.444 345 V N 0.417 120.288 119.914 -0.071 0.000 2.295 345 V HA -0.281 3.839 4.120 -0.001 0.000 0.246 345 V C 2.549 178.577 176.094 -0.109 0.000 1.049 345 V CA 2.400 64.646 62.300 -0.090 0.000 1.024 345 V CB -0.625 31.171 31.823 -0.047 0.000 0.648 345 V HN 0.661 nan 8.190 nan 0.000 0.447 346 K N 0.226 120.573 120.400 -0.088 0.000 2.057 346 K HA -0.184 4.135 4.320 -0.001 0.000 0.207 346 K C 2.145 178.689 176.600 -0.093 0.000 1.049 346 K CA 1.620 57.856 56.287 -0.085 0.000 0.931 346 K CB -0.333 32.124 32.500 -0.071 0.000 0.714 346 K HN 0.436 nan 8.250 nan 0.000 0.440 347 A N 0.645 123.404 122.820 -0.101 0.000 2.070 347 A HA -0.049 4.271 4.320 -0.001 0.000 0.220 347 A C 2.043 179.558 177.584 -0.115 0.000 1.159 347 A CA 1.639 53.611 52.037 -0.109 0.000 0.656 347 A CB -0.440 18.484 19.000 -0.126 0.000 0.800 347 A HN 0.454 nan 8.150 nan 0.000 0.453 348 A N -1.652 121.093 122.820 -0.125 0.000 2.251 348 A HA 0.419 4.739 4.320 -0.001 0.000 0.209 348 A C 1.706 179.202 177.584 -0.147 0.000 1.187 348 A CA 1.075 53.029 52.037 -0.139 0.000 0.823 348 A CB -0.903 17.988 19.000 -0.182 0.000 0.846 348 A HN 1.838 nan 8.150 nan 0.000 0.486 349 G N -1.061 107.665 108.800 -0.124 0.000 2.176 349 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.252 349 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.252 349 G C -0.045 174.778 174.900 -0.129 0.000 1.024 349 G CA 0.645 45.683 45.100 -0.103 0.000 0.755 349 G HN 0.485 nan 8.290 nan 0.000 0.507 350 L N -1.007 120.116 121.223 -0.167 0.000 2.271 350 L HA 0.794 5.134 4.340 -0.001 0.000 0.265 350 L C 0.279 177.077 176.870 -0.119 0.000 1.013 350 L CA -1.292 53.432 54.840 -0.193 0.000 0.820 350 L CB 1.295 43.135 42.059 -0.364 0.000 1.352 350 L HN 0.045 nan 8.230 nan 0.000 0.443 351 E N 0.259 120.404 120.200 -0.092 0.000 2.263 351 E HA 0.304 4.653 4.350 -0.001 0.000 0.264 351 E C 0.623 177.211 176.600 -0.020 0.000 0.923 351 E CA -0.684 55.689 56.400 -0.045 0.000 0.802 351 E CB 2.472 32.157 29.700 -0.026 0.000 1.228 351 E HN 0.495 nan 8.360 nan 0.000 0.417 352 L N 0.772 122.004 121.223 0.015 0.000 2.089 352 L HA -0.249 4.091 4.340 -0.001 0.000 0.213 352 L C 1.455 178.396 176.870 0.118 0.000 1.079 352 L CA 1.276 56.168 54.840 0.087 0.000 0.758 352 L CB -0.252 41.852 42.059 0.074 0.000 0.891 352 L HN 0.473 nan 8.230 nan 0.000 0.433 353 D N -0.325 120.116 120.400 0.068 0.000 2.310 353 D HA -0.143 4.497 4.640 -0.001 0.000 0.212 353 D C 1.613 177.958 176.300 0.074 0.000 0.965 353 D CA 0.822 54.866 54.000 0.074 0.000 0.879 353 D CB -0.124 40.702 40.800 0.045 0.000 0.921 353 D HN 0.362 nan 8.370 nan 0.000 0.510 354 D N -0.025 120.406 120.400 0.052 0.000 2.317 354 D HA -0.039 4.601 4.640 -0.001 0.000 0.211 354 D C 0.498 176.872 176.300 0.123 0.000 0.966 354 D CA 0.162 54.211 54.000 0.081 0.000 0.876 354 D CB 0.464 41.263 40.800 -0.001 0.000 0.927 354 D HN 0.200 nan 8.370 nan 0.000 0.519 355 I N 2.044 122.633 120.570 0.032 0.000 2.396 355 I HA -0.030 4.139 4.170 -0.001 0.000 0.289 355 I C 1.378 177.452 176.117 -0.073 0.000 1.056 355 I CA -0.047 61.196 61.300 -0.096 0.000 1.365 355 I CB 0.946 38.677 38.000 -0.450 0.000 1.407 355 I HN -0.226 nan 8.210 nan 0.000 0.509 356 D N 5.603 125.976 120.400 -0.044 0.000 2.240 356 D HA 0.147 4.787 4.640 -0.001 0.000 0.206 356 D C 0.352 176.638 176.300 -0.023 0.000 0.963 356 D CA 1.104 55.100 54.000 -0.007 0.000 0.863 356 D CB 0.566 41.367 40.800 0.001 0.000 0.973 356 D HN 0.252 nan 8.370 nan 0.000 0.501 357 L N 0.092 121.238 121.223 -0.128 0.000 2.445 357 L HA 0.381 4.721 4.340 -0.001 0.000 0.262 357 L C -1.303 175.435 176.870 -0.219 0.000 0.974 357 L CA -0.727 54.081 54.840 -0.052 0.000 0.822 357 L CB 2.435 44.490 42.059 -0.006 0.000 1.339 357 L HN -0.247 nan 8.230 nan 0.000 0.409 358 F N 0.777 120.779 119.950 0.087 0.000 2.522 358 F HA 0.456 4.983 4.527 -0.000 0.000 0.324 358 F C 0.226 176.090 175.800 0.107 0.000 1.077 358 F CA -0.702 57.358 58.000 0.100 0.000 0.944 358 F CB 2.059 41.113 39.000 0.091 0.000 1.175 358 F HN 0.246 nan 8.300 nan 0.000 0.468 359 E N 3.894 124.269 120.200 0.291 0.000 2.141 359 E HA 0.410 4.760 4.350 -0.001 0.000 0.259 359 E C -0.893 175.858 176.600 0.251 0.000 0.883 359 E CA -0.167 56.366 56.400 0.222 0.000 0.744 359 E CB 1.840 31.623 29.700 0.140 0.000 1.150 359 E HN 0.498 nan 8.360 nan 0.000 0.420 360 I N 2.618 123.355 120.570 0.277 0.000 2.382 360 I HA 0.183 4.352 4.170 -0.001 0.000 0.286 360 I C 0.774 177.032 176.117 0.236 0.000 1.002 360 I CA -0.649 60.822 61.300 0.283 0.000 1.135 360 I CB 1.312 39.500 38.000 0.314 0.000 1.288 360 I HN 0.247 nan 8.210 nan 0.000 0.448 361 N N 5.699 124.490 118.700 0.152 0.000 2.356 361 N HA -0.040 4.699 4.740 -0.001 0.000 0.252 361 N C -0.084 175.434 175.510 0.013 0.000 1.241 361 N CA 0.334 53.406 53.050 0.038 0.000 0.861 361 N CB 0.697 39.194 38.487 0.017 0.000 1.075 361 N HN 0.632 nan 8.380 nan 0.000 0.461 362 E N 2.709 122.806 120.200 -0.172 0.000 2.542 362 E HA 0.115 4.465 4.350 -0.001 0.000 0.224 362 E C 0.864 177.308 176.600 -0.260 0.000 1.110 362 E CA -0.437 55.816 56.400 -0.244 0.000 1.350 362 E CB 0.389 29.814 29.700 -0.458 0.000 1.302 362 E HN 0.669 nan 8.360 nan 0.000 0.435 363 A N 0.832 123.478 122.820 -0.289 0.000 1.927 363 A HA -0.147 4.173 4.320 -0.001 0.000 0.220 363 A C 0.433 177.616 177.584 -0.668 0.000 1.185 363 A CA 1.383 53.133 52.037 -0.478 0.000 0.639 363 A CB -0.117 18.756 19.000 -0.211 0.000 0.820 363 A HN 0.292 nan 8.150 nan 0.000 0.451 364 F N -4.071 115.900 119.950 0.035 0.000 2.581 364 F HA 0.579 5.106 4.527 0.000 0.000 0.311 364 F C 0.934 176.810 175.800 0.126 0.000 1.113 364 F CA -0.433 57.624 58.000 0.095 0.000 0.935 364 F CB 1.595 40.679 39.000 0.139 0.000 1.232 364 F HN 0.028 nan 8.300 nan 0.000 0.445 365 A N 1.280 124.256 122.820 0.261 0.000 1.933 365 A HA -0.127 4.193 4.320 -0.001 0.000 0.218 365 A C 2.233 180.002 177.584 0.308 0.000 1.175 365 A CA 2.051 54.249 52.037 0.269 0.000 0.628 365 A CB -0.991 18.122 19.000 0.189 0.000 0.814 365 A HN 0.854 nan 8.150 nan 0.000 0.444 366 S N 0.489 116.357 115.700 0.281 0.000 2.380 366 S HA -0.412 4.057 4.470 -0.001 0.000 0.229 366 S C 2.125 176.862 174.600 0.229 0.000 1.050 366 S CA 1.926 60.263 58.200 0.227 0.000 1.100 366 S CB -0.871 62.444 63.200 0.192 0.000 0.984 366 S HN 0.809 nan 8.310 nan 0.000 0.434 367 Q N -0.035 119.914 119.800 0.249 0.000 2.123 367 Q HA -0.100 4.240 4.340 -0.001 0.000 0.199 367 Q C 2.060 178.209 176.000 0.249 0.000 0.966 367 Q CA 1.197 57.135 55.803 0.224 0.000 0.845 367 Q CB -0.396 28.460 28.738 0.198 0.000 0.907 367 Q HN 0.610 nan 8.270 nan 0.000 0.439 368 F N 1.280 121.306 119.950 0.127 0.000 2.102 368 F HA -0.168 4.359 4.527 -0.001 0.000 0.298 368 F C 1.919 177.745 175.800 0.043 0.000 1.105 368 F CA 1.489 59.531 58.000 0.070 0.000 1.239 368 F CB -0.326 38.703 39.000 0.048 0.000 0.991 368 F HN -0.073 nan 8.300 nan 0.000 0.474 369 V N -0.155 119.772 119.914 0.021 0.000 2.358 369 V HA -0.296 3.823 4.120 -0.001 0.000 0.246 369 V C 2.101 178.117 176.094 -0.130 0.000 1.047 369 V CA 2.073 64.314 62.300 -0.099 0.000 1.035 369 V CB -1.232 30.647 31.823 0.092 0.000 0.658 369 V HN 0.578 nan 8.190 nan 0.000 0.452 370 Y N 0.572 120.805 120.300 -0.111 0.000 2.097 370 Y HA -0.321 4.229 4.550 -0.000 0.000 0.282 370 Y C 2.591 178.353 175.900 -0.229 0.000 1.152 370 Y CA 2.075 60.086 58.100 -0.147 0.000 1.136 370 Y CB -0.758 37.640 38.460 -0.105 0.000 0.975 370 Y HN 0.241 nan 8.280 nan 0.000 0.498 371 C N 1.221 120.379 119.300 -0.237 0.000 2.429 371 C HA -0.134 4.326 4.460 -0.001 0.000 0.277 371 C C 2.854 177.568 174.990 -0.460 0.000 1.262 371 C CA 1.340 60.156 59.018 -0.337 0.000 1.733 371 C CB -1.297 26.369 27.740 -0.123 0.000 2.010 371 C HN 0.584 nan 8.230 nan 0.000 0.483 372 R N 1.430 121.617 120.500 -0.522 0.000 2.070 372 R HA -0.131 4.208 4.340 -0.001 0.000 0.233 372 R C 1.820 177.873 176.300 -0.413 0.000 1.137 372 R CA 2.062 57.845 56.100 -0.529 0.000 0.945 372 R CB -0.604 29.306 30.300 -0.650 0.000 0.845 372 R HN 0.469 nan 8.270 nan 0.000 0.430 373 N N 1.131 119.601 118.700 -0.383 0.000 2.084 373 N HA -0.164 4.576 4.740 -0.001 0.000 0.190 373 N C 1.637 176.926 175.510 -0.368 0.000 1.030 373 N CA 1.196 54.060 53.050 -0.311 0.000 0.849 373 N CB -0.336 38.010 38.487 -0.236 0.000 1.012 373 N HN 0.263 nan 8.380 nan 0.000 0.423 374 K N 0.714 120.771 120.400 -0.572 0.000 2.103 374 K HA -0.049 4.271 4.320 -0.001 0.000 0.207 374 K C 1.500 177.872 176.600 -0.379 0.000 1.048 374 K CA 0.903 56.833 56.287 -0.595 0.000 0.930 374 K CB -0.091 31.805 32.500 -1.006 0.000 0.716 374 K HN 0.190 nan 8.250 nan 0.000 0.444 375 L N -0.351 120.659 121.223 -0.354 0.000 2.558 375 L HA 0.101 4.441 4.340 -0.001 0.000 0.225 375 L C 0.958 177.701 176.870 -0.211 0.000 1.128 375 L CA 0.422 55.107 54.840 -0.258 0.000 0.868 375 L CB 0.055 41.956 42.059 -0.264 0.000 1.006 375 L HN 0.450 nan 8.230 nan 0.000 0.454 376 G N 1.335 110.003 108.800 -0.220 0.000 2.273 376 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.280 376 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.280 376 G C 0.155 174.960 174.900 -0.158 0.000 1.047 376 G CA -0.078 44.923 45.100 -0.165 0.000 0.869 376 G HN 0.240 nan 8.290 nan 0.000 0.502 377 L N 0.058 121.142 121.223 -0.232 0.000 2.397 377 L HA 0.279 4.619 4.340 -0.001 0.000 0.271 377 L C 0.784 177.559 176.870 -0.158 0.000 1.148 377 L CA -0.758 53.933 54.840 -0.249 0.000 0.825 377 L CB 0.648 42.397 42.059 -0.516 0.000 1.117 377 L HN 0.171 nan 8.230 nan 0.000 0.456 378 D N 4.271 124.631 120.400 -0.067 0.000 2.363 378 D HA 0.051 4.690 4.640 -0.001 0.000 0.263 378 D C -1.639 174.655 176.300 -0.010 0.000 1.258 378 D CA -1.658 52.334 54.000 -0.014 0.000 0.907 378 D CB 1.382 42.208 40.800 0.044 0.000 1.107 378 D HN 0.202 nan 8.370 nan 0.000 0.495 379 P HA -0.117 nan 4.420 nan 0.000 0.221 379 P C 0.807 178.146 177.300 0.065 0.000 1.145 379 P CA 0.777 63.886 63.100 0.014 0.000 0.795 379 P CB 0.350 32.062 31.700 0.019 0.000 0.775 380 E N -0.487 119.750 120.200 0.062 0.000 2.435 380 E HA -0.045 4.305 4.350 -0.001 0.000 0.195 380 E C 1.265 177.923 176.600 0.097 0.000 1.029 380 E CA 0.766 57.209 56.400 0.070 0.000 0.865 380 E CB -0.292 29.439 29.700 0.052 0.000 0.833 380 E HN 0.121 nan 8.360 nan 0.000 0.510 381 K N -0.497 119.986 120.400 0.138 0.000 2.358 381 K HA 0.256 4.576 4.320 -0.001 0.000 0.197 381 K C -0.230 176.544 176.600 0.291 0.000 1.025 381 K CA 0.002 56.414 56.287 0.209 0.000 1.104 381 K CB 0.773 33.446 32.500 0.288 0.000 0.855 381 K HN 0.089 nan 8.250 nan 0.000 0.531 382 I N 1.828 122.538 120.570 0.234 0.000 2.412 382 I HA 0.118 4.288 4.170 -0.001 0.000 0.296 382 I C -0.491 175.758 176.117 0.220 0.000 0.987 382 I CA -1.034 60.428 61.300 0.270 0.000 1.180 382 I CB 1.428 39.558 38.000 0.217 0.000 1.340 382 I HN 0.098 nan 8.210 nan 0.000 0.455 383 N N 3.409 122.235 118.700 0.210 0.000 2.700 383 N HA -0.150 4.589 4.740 -0.001 0.000 0.265 383 N C 1.069 176.632 175.510 0.089 0.000 0.975 383 N CA 0.890 54.014 53.050 0.124 0.000 0.800 383 N CB -0.901 37.614 38.487 0.047 0.000 0.908 383 N HN 0.675 nan 8.380 nan 0.000 0.551 384 V N -2.892 117.074 119.914 0.087 0.000 2.720 384 V HA -0.124 3.995 4.120 -0.001 0.000 0.256 384 V C 1.297 177.398 176.094 0.013 0.000 1.082 384 V CA 1.532 63.863 62.300 0.051 0.000 1.101 384 V CB -0.020 31.829 31.823 0.043 0.000 0.693 384 V HN 0.273 nan 8.190 nan 0.000 0.479 385 N N 1.293 120.005 118.700 0.021 0.000 2.273 385 N HA 0.447 5.187 4.740 -0.001 0.000 0.231 385 N C 0.712 176.284 175.510 0.102 0.000 1.134 385 N CA 0.943 53.979 53.050 -0.024 0.000 0.856 385 N CB 0.780 39.185 38.487 -0.136 0.000 1.068 385 N HN 0.862 nan 8.380 nan 0.000 0.510 386 G N -1.207 107.629 108.800 0.060 0.000 2.707 386 G HA2 0.149 4.109 3.960 -0.001 0.000 0.686 386 G HA3 0.149 4.109 3.960 -0.001 0.000 0.686 386 G C -0.201 174.691 174.900 -0.012 0.000 1.315 386 G CA -0.602 44.510 45.100 0.020 0.000 0.832 386 G HN 0.437 nan 8.290 nan 0.000 0.573 387 G N -1.689 107.036 108.800 -0.125 0.000 3.211 387 G HA2 0.834 4.794 3.960 -0.001 0.000 0.262 387 G HA3 0.834 4.794 3.960 -0.001 0.000 0.262 387 G C 1.191 175.976 174.900 -0.191 0.000 1.352 387 G CA 0.945 45.944 45.100 -0.167 0.000 1.004 387 G HN 2.036 nan 8.290 nan 0.000 0.559 388 A N -0.618 122.084 122.820 -0.197 0.000 2.076 388 A HA -0.023 4.296 4.320 -0.001 0.000 0.220 388 A C 2.305 179.771 177.584 -0.197 0.000 1.160 388 A CA 1.746 53.680 52.037 -0.172 0.000 0.653 388 A CB -0.526 18.362 19.000 -0.186 0.000 0.801 388 A HN 0.533 nan 8.150 nan 0.000 0.455 389 M N -1.018 118.429 119.600 -0.256 0.000 2.213 389 M HA -0.150 4.329 4.480 -0.001 0.000 0.263 389 M C 2.362 178.440 176.300 -0.370 0.000 1.062 389 M CA 1.442 56.599 55.300 -0.237 0.000 1.105 389 M CB -0.254 32.219 32.600 -0.211 0.000 1.385 389 M HN 0.536 nan 8.290 nan 0.000 0.417 390 A N 0.382 122.874 122.820 -0.546 0.000 1.901 390 A HA 0.058 4.378 4.320 -0.001 0.000 0.210 390 A C 1.837 179.276 177.584 -0.241 0.000 1.208 390 A CA 0.568 52.167 52.037 -0.730 0.000 0.644 390 A CB -0.388 18.199 19.000 -0.687 0.000 0.863 390 A HN 0.585 nan 8.150 nan 0.000 0.454 391 I N -4.030 116.434 120.570 -0.177 0.000 3.860 391 I HA 0.538 4.707 4.170 -0.001 0.000 0.319 391 I C 0.846 176.910 176.117 -0.089 0.000 1.279 391 I CA 0.408 61.634 61.300 -0.123 0.000 1.220 391 I CB 0.029 37.930 38.000 -0.166 0.000 1.027 391 I HN 0.463 nan 8.210 nan 0.000 0.428 392 G N 1.445 110.200 108.800 -0.075 0.000 2.555 392 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.686 392 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.686 392 G C -1.322 173.604 174.900 0.044 0.000 1.275 392 G CA -0.452 44.639 45.100 -0.016 0.000 0.871 392 G HN 0.594 nan 8.290 nan 0.000 0.603 393 H N 1.809 120.845 119.070 -0.056 0.000 2.697 393 H HA 0.584 5.139 4.556 -0.001 0.000 0.270 393 H C -2.016 173.306 175.328 -0.010 0.000 1.188 393 H CA -2.464 53.558 56.048 -0.044 0.000 1.322 393 H CB 1.488 31.206 29.762 -0.072 0.000 1.405 393 H HN 0.331 nan 8.280 nan 0.000 0.502 394 P HA 0.051 nan 4.420 nan 0.000 0.214 394 P C 0.868 178.126 177.300 -0.071 0.000 1.807 394 P CA -0.077 63.014 63.100 -0.014 0.000 0.921 394 P CB -0.155 31.565 31.700 0.033 0.000 1.835 395 L N 0.163 121.205 121.223 -0.301 0.000 3.637 395 L HA -0.366 3.974 4.340 -0.001 0.000 0.119 395 L C 2.393 179.256 176.870 -0.011 0.000 3.802 395 L CA 2.167 56.855 54.840 -0.254 0.000 1.267 395 L CB -2.396 39.532 42.059 -0.218 0.000 3.122 395 L HN 0.234 nan 8.230 nan 0.000 0.622 396 G N -1.297 107.500 108.800 -0.004 0.000 2.501 396 G HA2 0.004 3.964 3.960 -0.001 0.000 0.220 396 G HA3 0.004 3.964 3.960 -0.001 0.000 0.220 396 G C 1.340 176.263 174.900 0.038 0.000 1.114 396 G CA 0.943 46.061 45.100 0.031 0.000 0.757 396 G HN 0.756 nan 8.290 nan 0.000 0.559 397 A N -0.161 122.678 122.820 0.031 0.000 2.218 397 A HA 0.235 4.554 4.320 -0.001 0.000 0.209 397 A C 2.344 179.962 177.584 0.056 0.000 1.168 397 A CA 1.597 53.654 52.037 0.034 0.000 0.804 397 A CB -0.340 18.672 19.000 0.021 0.000 0.834 397 A HN 0.217 nan 8.150 nan 0.000 0.482 398 T N 0.215 114.824 114.554 0.091 0.000 2.684 398 T HA -0.131 4.219 4.350 -0.001 0.000 0.267 398 T C 2.041 176.797 174.700 0.093 0.000 1.036 398 T CA 1.711 63.879 62.100 0.114 0.000 1.148 398 T CB -0.600 68.380 68.868 0.186 0.000 0.863 398 T HN 0.569 nan 8.240 nan 0.000 0.436 399 G N 1.293 110.155 108.800 0.103 0.000 2.514 399 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.217 399 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.217 399 G C 1.846 176.783 174.900 0.062 0.000 1.198 399 G CA 1.115 46.278 45.100 0.106 0.000 0.780 399 G HN 0.607 nan 8.290 nan 0.000 0.565 400 A N 0.084 122.928 122.820 0.039 0.000 1.930 400 A HA 0.036 4.356 4.320 -0.001 0.000 0.217 400 A C 2.399 179.980 177.584 -0.004 0.000 1.175 400 A CA 1.827 53.869 52.037 0.007 0.000 0.627 400 A CB -0.423 18.582 19.000 0.009 0.000 0.815 400 A HN 0.264 nan 8.150 nan 0.000 0.443 401 R N 0.346 120.854 120.500 0.013 0.000 2.082 401 R HA -0.175 4.165 4.340 -0.001 0.000 0.234 401 R C 2.149 178.449 176.300 0.000 0.000 1.136 401 R CA 2.326 58.429 56.100 0.005 0.000 0.935 401 R CB -1.418 28.888 30.300 0.010 0.000 0.842 401 R HN 0.555 nan 8.270 nan 0.000 0.430 402 C N -0.067 119.242 119.300 0.015 0.000 2.425 402 C HA -0.044 4.415 4.460 -0.001 0.000 0.277 402 C C 2.875 177.838 174.990 -0.046 0.000 1.280 402 C CA 0.618 59.646 59.018 0.017 0.000 1.744 402 C CB -0.888 26.887 27.740 0.059 0.000 1.989 402 C HN 0.306 nan 8.230 nan 0.000 0.491 403 V N 1.548 121.404 119.914 -0.097 0.000 2.287 403 V HA -0.267 3.853 4.120 -0.001 0.000 0.248 403 V C 2.749 178.688 176.094 -0.260 0.000 1.053 403 V CA 2.354 64.479 62.300 -0.293 0.000 1.027 403 V CB -1.269 30.352 31.823 -0.337 0.000 0.646 403 V HN 0.614 nan 8.190 nan 0.000 0.447 404 A N -0.418 122.332 122.820 -0.117 0.000 1.877 404 A HA -0.240 4.079 4.320 -0.001 0.000 0.216 404 A C 2.404 180.043 177.584 0.091 0.000 1.186 404 A CA 2.614 54.646 52.037 -0.008 0.000 0.620 404 A CB -1.049 17.972 19.000 0.036 0.000 0.822 404 A HN 0.513 nan 8.150 nan 0.000 0.443 405 T N 0.067 114.658 114.554 0.061 0.000 2.708 405 T HA -0.150 4.200 4.350 -0.001 0.000 0.266 405 T C 1.879 176.617 174.700 0.062 0.000 1.037 405 T CA 1.559 63.731 62.100 0.120 0.000 1.146 405 T CB -0.442 68.507 68.868 0.136 0.000 0.865 405 T HN 0.345 nan 8.240 nan 0.000 0.435 406 L N 0.786 121.993 121.223 -0.026 0.000 1.989 406 L HA -0.015 4.325 4.340 -0.001 0.000 0.211 406 L C 2.273 179.072 176.870 -0.120 0.000 1.071 406 L CA 1.641 56.440 54.840 -0.069 0.000 0.749 406 L CB -0.523 41.460 42.059 -0.127 0.000 0.890 406 L HN 0.232 nan 8.230 nan 0.000 0.431 407 L N -1.278 119.805 121.223 -0.232 0.000 2.083 407 L HA -0.221 4.118 4.340 -0.001 0.000 0.209 407 L C 2.597 179.311 176.870 -0.260 0.000 1.083 407 L CA 0.966 55.626 54.840 -0.299 0.000 0.752 407 L CB -0.895 40.899 42.059 -0.441 0.000 0.899 407 L HN 0.450 nan 8.230 nan 0.000 0.433 408 H N -1.010 117.999 119.070 -0.102 0.000 2.436 408 H HA -0.109 4.447 4.556 -0.001 0.000 0.294 408 H C 2.063 177.364 175.328 -0.047 0.000 1.048 408 H CA 1.210 57.219 56.048 -0.065 0.000 1.353 408 H CB 0.379 30.116 29.762 -0.041 0.000 1.414 408 H HN 0.292 nan 8.280 nan 0.000 0.536 409 E N 1.008 121.244 120.200 0.061 0.000 2.072 409 E HA -0.086 4.264 4.350 -0.001 0.000 0.190 409 E C 2.306 178.898 176.600 -0.013 0.000 0.982 409 E CA 0.771 57.181 56.400 0.016 0.000 0.803 409 E CB -0.075 29.633 29.700 0.014 0.000 0.755 409 E HN 0.302 nan 8.360 nan 0.000 0.453 410 M N 0.286 119.865 119.600 -0.036 0.000 2.108 410 M HA -0.172 4.308 4.480 -0.001 0.000 0.261 410 M C 2.377 178.644 176.300 -0.055 0.000 1.066 410 M CA 1.747 57.016 55.300 -0.052 0.000 1.107 410 M CB -0.318 32.240 32.600 -0.071 0.000 1.356 410 M HN 0.021 nan 8.290 nan 0.000 0.406 411 K N 0.556 120.918 120.400 -0.064 0.000 2.001 411 K HA -0.261 4.059 4.320 -0.001 0.000 0.214 411 K C 2.118 178.704 176.600 -0.024 0.000 1.050 411 K CA 1.964 58.220 56.287 -0.052 0.000 0.934 411 K CB -0.165 32.300 32.500 -0.058 0.000 0.718 411 K HN 0.125 nan 8.250 nan 0.000 0.443 412 R N 0.546 121.042 120.500 -0.006 0.000 2.080 412 R HA -0.098 4.241 4.340 -0.001 0.000 0.236 412 R C 2.275 178.565 176.300 -0.016 0.000 1.137 412 R CA 1.905 58.002 56.100 -0.005 0.000 0.943 412 R CB -0.074 30.225 30.300 -0.001 0.000 0.846 412 R HN 0.230 nan 8.270 nan 0.000 0.431 413 R N -0.010 120.477 120.500 -0.020 0.000 2.285 413 R HA 0.066 4.406 4.340 -0.001 0.000 0.213 413 R C 0.908 177.193 176.300 -0.026 0.000 1.068 413 R CA 0.508 56.595 56.100 -0.022 0.000 1.004 413 R CB -0.140 30.147 30.300 -0.021 0.000 0.873 413 R HN 0.486 nan 8.270 nan 0.000 0.467 414 G N 1.110 109.892 108.800 -0.031 0.000 2.725 414 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.220 414 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.220 414 G C 0.155 175.027 174.900 -0.047 0.000 1.357 414 G CA -0.024 45.055 45.100 -0.034 0.000 0.866 414 G HN 0.176 nan 8.290 nan 0.000 0.548 415 K N -0.361 120.011 120.400 -0.047 0.000 2.160 415 K HA -0.124 4.196 4.320 -0.001 0.000 0.206 415 K C 1.749 178.303 176.600 -0.076 0.000 1.047 415 K CA 2.031 58.281 56.287 -0.062 0.000 0.930 415 K CB -0.148 32.322 32.500 -0.051 0.000 0.720 415 K HN 0.480 nan 8.250 nan 0.000 0.450 416 D N -0.523 119.842 120.400 -0.058 0.000 2.363 416 D HA -0.062 4.577 4.640 -0.001 0.000 0.220 416 D C 0.123 176.384 176.300 -0.064 0.000 0.994 416 D CA 0.524 54.490 54.000 -0.056 0.000 0.890 416 D CB -0.062 40.719 40.800 -0.032 0.000 0.906 416 D HN 0.105 nan 8.370 nan 0.000 0.530 417 C N 2.031 121.290 119.300 -0.069 0.000 2.298 417 C HA 0.294 4.754 4.460 -0.001 0.000 0.451 417 C C 1.879 176.797 174.990 -0.120 0.000 1.028 417 C CA -0.674 58.303 59.018 -0.068 0.000 1.324 417 C CB -1.677 26.034 27.740 -0.048 0.000 1.534 417 C HN 0.216 nan 8.230 nan 0.000 0.528 418 R N 2.010 122.394 120.500 -0.193 0.000 2.066 418 R HA 0.193 4.532 4.340 -0.001 0.000 0.224 418 R C -0.236 175.762 176.300 -0.504 0.000 1.122 418 R CA 0.987 56.833 56.100 -0.423 0.000 0.974 418 R CB 0.175 30.096 30.300 -0.632 0.000 0.871 418 R HN 0.592 nan 8.270 nan 0.000 0.435 419 F N -0.513 119.420 119.950 -0.029 0.000 2.520 419 F HA 0.565 5.092 4.527 -0.000 0.000 0.322 419 F C 0.313 176.062 175.800 -0.086 0.000 1.103 419 F CA -0.958 57.021 58.000 -0.036 0.000 0.926 419 F CB 2.344 41.315 39.000 -0.049 0.000 1.154 419 F HN 0.024 nan 8.300 nan 0.000 0.453 420 G N 1.406 110.310 108.800 0.174 0.000 2.591 420 G HA2 0.628 4.587 3.960 -0.001 0.000 0.306 420 G HA3 0.628 4.587 3.960 -0.001 0.000 0.306 420 G C -2.078 172.871 174.900 0.081 0.000 1.334 420 G CA -0.724 44.399 45.100 0.038 0.000 0.981 420 G HN 0.472 nan 8.290 nan 0.000 0.491 421 V N 1.444 121.319 119.914 -0.066 0.000 2.495 421 V HA 0.515 4.635 4.120 -0.001 0.000 0.298 421 V C -0.243 175.982 176.094 0.219 0.000 1.031 421 V CA -0.671 61.682 62.300 0.089 0.000 0.871 421 V CB 1.765 33.608 31.823 0.032 0.000 0.988 421 V HN 0.574 nan 8.190 nan 0.000 0.432 422 V N 3.827 123.924 119.914 0.305 0.000 2.398 422 V HA 0.693 4.813 4.120 -0.001 0.000 0.286 422 V C 0.051 176.307 176.094 0.271 0.000 1.026 422 V CA -0.082 62.387 62.300 0.282 0.000 0.868 422 V CB 1.631 33.635 31.823 0.302 0.000 0.982 422 V HN 0.874 nan 8.190 nan 0.000 0.443 423 S N 5.922 121.764 115.700 0.236 0.000 2.546 423 S HA 0.951 5.421 4.470 -0.001 0.000 0.274 423 S C -0.827 173.877 174.600 0.174 0.000 1.121 423 S CA -0.624 57.693 58.200 0.195 0.000 0.887 423 S CB 1.512 64.814 63.200 0.170 0.000 1.094 423 S HN 0.858 nan 8.310 nan 0.000 0.474 424 M N 1.262 120.956 119.600 0.156 0.000 3.012 424 M HA 0.525 5.004 4.480 -0.001 0.000 0.272 424 M C -1.415 174.965 176.300 0.134 0.000 1.187 424 M CA -0.909 54.479 55.300 0.146 0.000 0.813 424 M CB 0.612 33.307 32.600 0.157 0.000 1.626 424 M HN 0.490 nan 8.290 nan 0.000 0.507 425 C N 1.189 120.570 119.300 0.134 0.000 2.520 425 C HA 0.597 5.057 4.460 -0.001 0.000 0.376 425 C C 0.546 175.619 174.990 0.137 0.000 1.268 425 C CA -0.317 58.773 59.018 0.121 0.000 2.414 425 C CB 0.033 27.847 27.740 0.124 0.000 2.521 425 C HN 0.635 nan 8.230 nan 0.000 0.618 426 I N 2.996 123.639 120.570 0.121 0.000 2.523 426 I HA 0.437 4.606 4.170 -0.001 0.000 0.281 426 I C 0.868 177.049 176.117 0.106 0.000 1.126 426 I CA 0.426 61.804 61.300 0.129 0.000 1.187 426 I CB -0.643 37.445 38.000 0.148 0.000 1.478 426 I HN 1.038 nan 8.210 nan 0.000 0.522 427 G N 3.120 111.983 108.800 0.105 0.000 2.855 427 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.352 427 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.352 427 G C 0.793 175.734 174.900 0.069 0.000 1.415 427 G CA -0.047 45.104 45.100 0.085 0.000 0.871 427 G HN 0.618 nan 8.290 nan 0.000 0.543 428 T N -2.664 111.917 114.554 0.045 0.000 2.881 428 T HA 0.109 4.459 4.350 -0.001 0.000 0.270 428 T C 2.320 177.030 174.700 0.018 0.000 1.068 428 T CA 1.944 64.056 62.100 0.020 0.000 1.131 428 T CB -0.227 68.634 68.868 -0.012 0.000 0.871 428 T HN 1.937 nan 8.240 nan 0.000 0.479 429 G N 0.204 109.022 108.800 0.030 0.000 3.042 429 G HA2 0.523 4.482 3.960 -0.001 0.000 0.212 429 G HA3 0.523 4.482 3.960 -0.001 0.000 0.212 429 G C 0.226 175.137 174.900 0.018 0.000 1.166 429 G CA -0.413 44.704 45.100 0.028 0.000 0.767 429 G HN 0.476 nan 8.290 nan 0.000 0.546 430 M N -0.616 118.998 119.600 0.023 0.000 2.520 430 M HA 0.525 5.005 4.480 -0.001 0.000 0.283 430 M C -0.453 175.854 176.300 0.012 0.000 1.237 430 M CA -0.680 54.622 55.300 0.002 0.000 0.885 430 M CB 2.639 35.269 32.600 0.050 0.000 1.727 430 M HN 0.035 nan 8.290 nan 0.000 0.468 431 G N 0.625 109.411 108.800 -0.022 0.000 2.569 431 G HA2 0.917 4.877 3.960 -0.001 0.000 0.300 431 G HA3 0.917 4.877 3.960 -0.001 0.000 0.300 431 G C -1.980 172.903 174.900 -0.029 0.000 1.269 431 G CA -0.649 44.448 45.100 -0.005 0.000 0.959 431 G HN 0.842 nan 8.290 nan 0.000 0.478 432 A N -0.723 122.097 122.820 -0.000 0.000 2.422 432 A HA 0.960 5.280 4.320 -0.001 0.000 0.302 432 A C -0.426 177.126 177.584 -0.055 0.000 1.041 432 A CA -0.076 51.917 52.037 -0.073 0.000 0.708 432 A CB 1.727 20.873 19.000 0.244 0.000 1.257 432 A HN 2.195 nan 8.150 nan 0.000 0.414 433 A N 0.695 123.370 122.820 -0.241 0.000 2.486 433 A HA 0.910 5.230 4.320 -0.001 0.000 0.300 433 A C -0.441 177.143 177.584 -0.001 0.000 1.048 433 A CA 0.081 52.096 52.037 -0.037 0.000 0.696 433 A CB 1.455 20.439 19.000 -0.028 0.000 1.278 433 A HN 2.461 nan 8.150 nan 0.000 0.405 434 A N 1.347 124.310 122.820 0.239 0.000 2.343 434 A HA 0.694 5.013 4.320 -0.001 0.000 0.316 434 A C -0.847 176.810 177.584 0.121 0.000 1.104 434 A CA -0.462 51.777 52.037 0.337 0.000 0.768 434 A CB 1.188 20.466 19.000 0.462 0.000 1.213 434 A HN 1.247 nan 8.150 nan 0.000 0.456 435 V N 2.688 122.628 119.914 0.043 0.000 2.394 435 V HA 0.525 4.645 4.120 -0.001 0.000 0.282 435 V C -0.828 175.178 176.094 -0.146 0.000 1.031 435 V CA -0.021 62.278 62.300 -0.001 0.000 0.881 435 V CB 0.599 32.418 31.823 -0.007 0.000 0.982 435 V HN 0.709 nan 8.190 nan 0.000 0.451 436 F N 2.348 122.402 119.950 0.173 0.000 2.532 436 F HA 0.559 5.085 4.527 -0.001 0.000 0.321 436 F C 0.227 176.147 175.800 0.201 0.000 1.089 436 F CA -0.639 57.446 58.000 0.140 0.000 0.926 436 F CB 1.904 40.894 39.000 -0.017 0.000 1.168 436 F HN 0.430 nan 8.300 nan 0.000 0.459 437 E N 2.251 122.663 120.200 0.353 0.000 2.183 437 E HA 0.315 4.664 4.350 -0.001 0.000 0.271 437 E C -0.476 176.163 176.600 0.065 0.000 0.919 437 E CA -1.019 55.495 56.400 0.190 0.000 0.781 437 E CB 1.301 31.114 29.700 0.189 0.000 1.140 437 E HN 0.560 nan 8.360 nan 0.000 0.402 438 R N 2.473 122.940 120.500 -0.055 0.000 2.504 438 R HA 0.045 4.384 4.340 -0.001 0.000 0.291 438 R C 0.111 176.381 176.300 -0.050 0.000 0.974 438 R CA 0.510 56.569 56.100 -0.068 0.000 1.077 438 R CB 0.203 30.436 30.300 -0.111 0.000 0.926 438 R HN 0.641 nan 8.270 nan 0.000 0.407 439 G N 2.395 111.169 108.800 -0.044 0.000 2.606 439 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.252 439 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.252 439 G C -0.073 174.803 174.900 -0.039 0.000 1.206 439 G CA -0.544 44.536 45.100 -0.032 0.000 0.861 439 G HN 0.719 nan 8.290 nan 0.000 0.561 440 D N -0.219 120.165 120.400 -0.026 0.000 2.305 440 D HA 0.221 4.861 4.640 -0.001 0.000 0.206 440 D C 1.783 178.070 176.300 -0.022 0.000 0.974 440 D CA 1.370 55.355 54.000 -0.025 0.000 0.871 440 D CB -0.076 40.714 40.800 -0.017 0.000 0.947 440 D HN 0.921 nan 8.370 nan 0.000 0.516 441 G N 0.000 108.788 108.800 -0.021 0.000 5.446 441 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 441 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 441 G CA 0.000 45.090 45.100 -0.016 0.000 0.502 441 G HN 0.000 nan 8.290 nan 0.000 0.925