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 3ihm_1_A DATA FIRST_RESID 3 DATA SEQUENCE KRIGIVGAGT AGLHLGLFLR QHDVDVTVYT DRKPDEYSGL RLLNTVAHNA DATA SEQUENCE VTVQREVALD VNEWPSEEFG YFGHYYYVGG PQPMRFYGDL KAPSRAVDYR DATA SEQUENCE LYQPMLMRAL EARGGKFCYD AVSAEDLEGL SEQYDLLVVC TGKYALGKVF DATA SEQUENCE EKQSENSPFE KPQRALCVGL FKGIKEAPIR AVTMSFSPGH GELIEIPTLS DATA SEQUENCE FNGMSTALVL ENHIGSDLEV LAHTKYDDDP RAFLDLMLEK LGKHHPSVAE DATA SEQUENCE RIDPAEFDLA NSSLDILQGG VVPAFRDGHA TLNNGKTIIG LGDIQATVDP DATA SEQUENCE VLGQGANMAS YAAWILGEEI LAHSVYDLRF SEHLERRRQD RVLCATRWTN DATA SEQUENCE FTLSALSALP PEFLAFLQIL SQSREMADEF TDNFNYPERQ WDRFSSPERI DATA SEQUENCE GQWCSQFA 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.632 176.600 0.053 0.000 0.988 3 K CA 0.000 56.322 56.287 0.059 0.000 0.838 3 K CB 0.000 32.530 32.500 0.050 0.000 1.064 4 R N 1.993 122.536 120.500 0.072 0.000 2.422 4 R HA 0.423 4.764 4.340 0.001 0.000 0.307 4 R C -1.361 175.027 176.300 0.147 0.000 1.004 4 R CA -0.531 55.638 56.100 0.115 0.000 0.882 4 R CB 0.922 31.295 30.300 0.122 0.000 1.164 4 R HN 0.031 nan 8.270 nan 0.000 0.489 5 I N 2.852 123.458 120.570 0.060 0.000 2.433 5 I HA 0.428 4.599 4.170 0.001 0.000 0.292 5 I C 0.584 176.500 176.117 -0.334 0.000 1.001 5 I CA -0.762 60.478 61.300 -0.100 0.000 1.119 5 I CB 1.678 39.596 38.000 -0.138 0.000 1.289 5 I HN 0.698 nan 8.210 nan 0.000 0.438 6 G N 6.661 115.076 108.800 -0.642 0.000 2.368 6 G HA2 0.723 4.684 3.960 0.001 0.000 0.320 6 G HA3 0.723 4.684 3.960 0.001 0.000 0.320 6 G C -0.699 173.989 174.900 -0.353 0.000 1.158 6 G CA -0.366 44.173 45.100 -0.936 0.000 0.912 6 G HN 0.478 nan 8.290 nan 0.000 0.456 7 I N 2.441 122.902 120.570 -0.182 0.000 2.382 7 I HA 0.201 4.372 4.170 0.001 0.000 0.286 7 I C -0.336 175.825 176.117 0.074 0.000 1.002 7 I CA -0.944 60.320 61.300 -0.060 0.000 1.135 7 I CB 2.214 40.172 38.000 -0.069 0.000 1.288 7 I HN 0.047 nan 8.210 nan 0.000 0.448 8 V N 5.918 125.866 119.914 0.058 0.000 2.368 8 V HA 0.718 4.838 4.120 0.001 0.000 0.266 8 V C 0.662 176.837 176.094 0.135 0.000 1.045 8 V CA -0.213 62.152 62.300 0.108 0.000 0.899 8 V CB 0.271 32.117 31.823 0.038 0.000 1.006 8 V HN 1.075 nan 8.190 nan 0.000 0.470 9 G N 3.880 112.795 108.800 0.191 0.000 2.788 9 G HA2 0.320 4.280 3.960 0.001 0.000 0.686 9 G HA3 0.320 4.280 3.960 0.001 0.000 0.686 9 G C -0.095 174.903 174.900 0.164 0.000 1.147 9 G CA -0.027 45.183 45.100 0.183 0.000 0.755 9 G HN 1.125 nan 8.290 nan 0.000 0.634 10 A N 1.425 124.365 122.820 0.200 0.000 3.909 10 A HA 1.102 5.423 4.320 0.001 0.000 0.180 10 A C 2.271 179.950 177.584 0.158 0.000 1.812 10 A CA 1.738 53.897 52.037 0.203 0.000 1.557 10 A CB -0.595 18.573 19.000 0.279 0.000 1.216 10 A HN 3.103 nan 8.150 nan 0.000 0.386 11 G N -2.636 106.262 108.800 0.163 0.000 2.796 11 G HA2 -0.139 3.821 3.960 0.001 0.000 0.226 11 G HA3 -0.139 3.821 3.960 0.001 0.000 0.226 11 G C 0.590 175.548 174.900 0.096 0.000 1.381 11 G CA 0.401 45.581 45.100 0.133 0.000 0.867 11 G HN 1.049 nan 8.290 nan 0.000 0.552 12 T N 0.954 115.557 114.554 0.081 0.000 2.746 12 T HA 0.052 4.402 4.350 0.001 0.000 0.267 12 T C 2.905 177.564 174.700 -0.067 0.000 1.039 12 T CA 3.006 65.098 62.100 -0.012 0.000 1.142 12 T CB -0.597 68.251 68.868 -0.033 0.000 0.866 12 T HN 1.544 nan 8.240 nan 0.000 0.444 13 A N 1.481 124.300 122.820 -0.002 0.000 1.858 13 A HA 0.084 4.404 4.320 0.001 0.000 0.216 13 A C 2.654 180.277 177.584 0.066 0.000 1.190 13 A CA 1.953 54.001 52.037 0.017 0.000 0.617 13 A CB -1.427 17.578 19.000 0.008 0.000 0.827 13 A HN 0.509 nan 8.150 nan 0.000 0.443 14 G N -0.528 108.317 108.800 0.075 0.000 2.402 14 G HA2 -0.088 3.872 3.960 0.001 0.000 0.216 14 G HA3 -0.088 3.872 3.960 0.001 0.000 0.216 14 G C 1.557 176.517 174.900 0.100 0.000 1.162 14 G CA 1.028 46.173 45.100 0.075 0.000 0.777 14 G HN 0.420 nan 8.290 nan 0.000 0.539 15 L N -0.696 120.619 121.223 0.154 0.000 2.131 15 L HA 0.071 4.411 4.340 0.001 0.000 0.206 15 L C 2.665 179.675 176.870 0.233 0.000 1.087 15 L CA 0.640 55.587 54.840 0.177 0.000 0.767 15 L CB -0.403 41.763 42.059 0.179 0.000 0.917 15 L HN 0.120 nan 8.230 nan 0.000 0.441 16 H N -0.379 118.758 119.070 0.111 0.000 2.321 16 H HA -0.176 4.381 4.556 0.001 0.000 0.300 16 H C 1.890 177.308 175.328 0.150 0.000 1.087 16 H CA 1.595 57.741 56.048 0.165 0.000 1.319 16 H CB -0.249 29.634 29.762 0.202 0.000 1.379 16 H HN 0.077 nan 8.280 nan 0.000 0.501 17 L N 0.244 121.595 121.223 0.213 0.000 2.012 17 L HA -0.068 4.272 4.340 0.001 0.000 0.210 17 L C 2.453 179.381 176.870 0.096 0.000 1.073 17 L CA 2.173 57.071 54.840 0.097 0.000 0.748 17 L CB -1.122 40.954 42.059 0.028 0.000 0.891 17 L HN 0.328 nan 8.230 nan 0.000 0.431 18 G N -0.417 108.417 108.800 0.057 0.000 2.446 18 G HA2 -0.270 3.691 3.960 0.001 0.000 0.217 18 G HA3 -0.270 3.691 3.960 0.001 0.000 0.217 18 G C 1.635 176.548 174.900 0.021 0.000 1.168 18 G CA 1.205 46.304 45.100 -0.001 0.000 0.771 18 G HN 0.447 nan 8.290 nan 0.000 0.551 19 L N -0.894 120.361 121.223 0.052 0.000 2.046 19 L HA 0.003 4.343 4.340 0.001 0.000 0.208 19 L C 2.549 179.440 176.870 0.036 0.000 1.077 19 L CA 1.066 55.924 54.840 0.030 0.000 0.747 19 L CB -0.396 41.674 42.059 0.019 0.000 0.896 19 L HN 0.273 nan 8.230 nan 0.000 0.432 20 F N 0.438 120.348 119.950 -0.066 0.000 2.102 20 F HA -0.245 4.282 4.527 0.001 0.000 0.298 20 F C 2.209 177.986 175.800 -0.039 0.000 1.105 20 F CA 1.581 59.497 58.000 -0.140 0.000 1.239 20 F CB -0.065 38.754 39.000 -0.301 0.000 0.991 20 F HN -0.126 nan 8.300 nan 0.000 0.474 21 L N -0.203 121.143 121.223 0.205 0.000 2.093 21 L HA -0.171 4.169 4.340 0.001 0.000 0.208 21 L C 2.536 179.419 176.870 0.022 0.000 1.085 21 L CA 0.748 55.670 54.840 0.135 0.000 0.755 21 L CB -0.598 41.517 42.059 0.093 0.000 0.904 21 L HN 0.022 nan 8.230 nan 0.000 0.435 22 R N 0.122 120.606 120.500 -0.027 0.000 2.148 22 R HA -0.106 4.235 4.340 0.001 0.000 0.227 22 R C 2.092 178.323 176.300 -0.115 0.000 1.103 22 R CA 0.892 56.956 56.100 -0.061 0.000 0.983 22 R CB -0.445 29.819 30.300 -0.061 0.000 0.874 22 R HN 0.543 nan 8.270 nan 0.000 0.451 23 Q N -0.474 119.206 119.800 -0.201 0.000 2.224 23 Q HA -0.100 4.240 4.340 0.001 0.000 0.203 23 Q C 0.730 176.449 176.000 -0.468 0.000 0.970 23 Q CA 0.952 56.540 55.803 -0.358 0.000 0.865 23 Q CB 0.069 28.492 28.738 -0.524 0.000 0.922 23 Q HN 0.582 nan 8.270 nan 0.000 0.445 24 H N -0.330 118.602 119.070 -0.230 0.000 2.505 24 H HA 0.049 4.605 4.556 0.001 0.000 0.289 24 H C -0.265 175.006 175.328 -0.095 0.000 1.052 24 H CA 0.056 56.004 56.048 -0.166 0.000 1.156 24 H CB 0.410 30.062 29.762 -0.184 0.000 1.507 24 H HN 0.202 nan 8.280 nan 0.000 0.548 25 D N 1.390 121.776 120.400 -0.023 0.000 2.751 25 D HA -0.169 4.471 4.640 0.001 0.000 0.233 25 D C 0.049 176.352 176.300 0.005 0.000 1.149 25 D CA 0.600 54.589 54.000 -0.019 0.000 0.682 25 D CB -1.327 39.459 40.800 -0.024 0.000 1.068 25 D HN 0.312 nan 8.370 nan 0.000 0.429 26 V N -2.086 117.838 119.914 0.016 0.000 2.617 26 V HA 0.508 4.629 4.120 0.001 0.000 0.298 26 V C 0.518 176.613 176.094 0.002 0.000 1.048 26 V CA -0.846 61.464 62.300 0.018 0.000 0.964 26 V CB 1.977 33.819 31.823 0.032 0.000 1.004 26 V HN 0.120 nan 8.190 nan 0.000 0.466 27 D N 2.673 123.078 120.400 0.010 0.000 2.371 27 D HA 0.296 4.936 4.640 0.001 0.000 0.256 27 D C -0.701 175.597 176.300 -0.003 0.000 1.193 27 D CA 0.322 54.327 54.000 0.008 0.000 0.881 27 D CB 1.417 42.237 40.800 0.032 0.000 1.143 27 D HN 0.537 nan 8.370 nan 0.000 0.473 28 V N 3.660 123.545 119.914 -0.049 0.000 2.531 28 V HA 0.377 4.497 4.120 0.001 0.000 0.301 28 V C 0.058 176.047 176.094 -0.176 0.000 1.034 28 V CA -0.651 61.582 62.300 -0.111 0.000 0.865 28 V CB 2.200 33.945 31.823 -0.131 0.000 0.995 28 V HN 0.557 nan 8.190 nan 0.000 0.424 29 T N 3.939 118.360 114.554 -0.223 0.000 2.841 29 T HA 0.595 4.946 4.350 0.001 0.000 0.285 29 T C -0.562 173.896 174.700 -0.403 0.000 0.991 29 T CA -0.460 61.446 62.100 -0.323 0.000 0.966 29 T CB 1.748 70.510 68.868 -0.176 0.000 0.962 29 T HN 0.324 nan 8.240 nan 0.000 0.438 30 V N 3.784 123.374 119.914 -0.540 0.000 2.435 30 V HA 0.410 4.530 4.120 0.001 0.000 0.290 30 V C -1.103 174.806 176.094 -0.308 0.000 1.030 30 V CA -0.929 61.153 62.300 -0.365 0.000 0.881 30 V CB 0.943 32.503 31.823 -0.440 0.000 0.983 30 V HN 0.838 nan 8.190 nan 0.000 0.445 31 Y N 3.012 123.282 120.300 -0.051 0.000 2.385 31 Y HA 0.593 5.144 4.550 0.001 0.000 0.341 31 Y C 0.804 176.772 175.900 0.113 0.000 0.965 31 Y CA -0.389 57.722 58.100 0.018 0.000 1.180 31 Y CB 1.512 39.978 38.460 0.009 0.000 1.139 31 Y HN 0.724 nan 8.280 nan 0.000 0.502 32 T N -0.849 113.859 114.554 0.255 0.000 2.896 32 T HA 0.196 4.546 4.350 0.001 0.000 0.297 32 T C -0.354 174.547 174.700 0.335 0.000 1.108 32 T CA -0.931 61.356 62.100 0.313 0.000 1.004 32 T CB 2.099 71.178 68.868 0.351 0.000 1.159 32 T HN 0.403 nan 8.240 nan 0.000 0.499 33 D N -0.072 120.512 120.400 0.306 0.000 2.424 33 D HA 0.165 4.805 4.640 0.001 0.000 0.220 33 D C -0.221 176.176 176.300 0.162 0.000 1.150 33 D CA -0.186 53.961 54.000 0.245 0.000 0.831 33 D CB 0.321 41.268 40.800 0.246 0.000 0.981 33 D HN 0.142 nan 8.370 nan 0.000 0.500 34 R N 0.887 121.501 120.500 0.191 0.000 2.502 34 R HA 0.359 4.699 4.340 0.001 0.000 0.300 34 R C -0.383 175.978 176.300 0.101 0.000 0.984 34 R CA -0.564 55.556 56.100 0.032 0.000 0.882 34 R CB 1.569 31.764 30.300 -0.175 0.000 1.180 34 R HN 0.014 nan 8.270 nan 0.000 0.444 35 K N 2.689 123.001 120.400 -0.146 0.000 2.154 35 K HA 0.222 4.543 4.320 0.001 0.000 0.264 35 K C -1.527 175.081 176.600 0.014 0.000 1.008 35 K CA -1.752 54.349 56.287 -0.310 0.000 0.937 35 K CB 0.834 33.003 32.500 -0.552 0.000 1.002 35 K HN 0.066 nan 8.250 nan 0.000 0.469 36 P HA -0.222 nan 4.420 nan 0.000 0.216 36 P C 0.494 177.866 177.300 0.120 0.000 1.153 36 P CA 1.428 64.567 63.100 0.064 0.000 0.858 36 P CB 0.090 31.750 31.700 -0.065 0.000 0.789 37 D N -0.580 119.835 120.400 0.025 0.000 2.363 37 D HA -0.122 4.518 4.640 0.001 0.000 0.226 37 D C 1.091 177.411 176.300 0.033 0.000 1.020 37 D CA 0.685 54.700 54.000 0.026 0.000 0.892 37 D CB -0.604 40.184 40.800 -0.020 0.000 0.900 37 D HN 0.283 nan 8.370 nan 0.000 0.531 38 E N -1.079 119.142 120.200 0.036 0.000 2.472 38 E HA 0.019 4.370 4.350 0.001 0.000 0.196 38 E C 0.899 177.484 176.600 -0.025 0.000 1.033 38 E CA -0.156 56.226 56.400 -0.030 0.000 0.886 38 E CB 0.037 29.671 29.700 -0.111 0.000 0.944 38 E HN 0.311 nan 8.360 nan 0.000 0.492 39 Y N 0.874 121.185 120.300 0.018 0.000 2.263 39 Y HA -0.190 4.360 4.550 0.001 0.000 0.292 39 Y C 2.804 178.776 175.900 0.119 0.000 1.130 39 Y CA 1.419 59.560 58.100 0.067 0.000 1.179 39 Y CB 0.069 38.576 38.460 0.077 0.000 0.998 39 Y HN 0.085 nan 8.280 nan 0.000 0.532 40 S N -1.104 114.753 115.700 0.262 0.000 2.442 40 S HA -0.110 4.360 4.470 0.001 0.000 0.236 40 S C 1.972 176.555 174.600 -0.028 0.000 1.007 40 S CA 1.103 59.421 58.200 0.196 0.000 0.965 40 S CB -0.750 62.495 63.200 0.075 0.000 0.773 40 S HN 0.396 nan 8.310 nan 0.000 0.504 41 G N 0.614 109.401 108.800 -0.022 0.000 3.284 41 G HA2 0.459 4.419 3.960 0.001 0.000 0.236 41 G HA3 0.459 4.419 3.960 0.001 0.000 0.236 41 G C 0.196 175.068 174.900 -0.046 0.000 1.158 41 G CA -0.504 44.554 45.100 -0.071 0.000 0.774 41 G HN 0.414 nan 8.290 nan 0.000 0.545 42 L N 0.076 121.298 121.223 -0.003 0.000 2.421 42 L HA 0.446 4.786 4.340 0.001 0.000 0.263 42 L C 1.019 177.892 176.870 0.004 0.000 1.122 42 L CA -1.048 53.781 54.840 -0.018 0.000 0.804 42 L CB 1.033 43.070 42.059 -0.037 0.000 1.150 42 L HN 0.062 nan 8.230 nan 0.000 0.457 43 R N 0.982 121.470 120.500 -0.019 0.000 2.694 43 R HA 0.164 4.505 4.340 0.001 0.000 0.268 43 R C -0.366 175.933 176.300 -0.002 0.000 1.061 43 R CA -0.733 55.351 56.100 -0.026 0.000 1.133 43 R CB 0.513 30.788 30.300 -0.042 0.000 1.020 43 R HN 0.420 nan 8.270 nan 0.000 0.475 44 L N 4.045 125.254 121.223 -0.023 0.000 2.615 44 L HA -0.041 4.299 4.340 0.001 0.000 0.284 44 L C -0.674 176.192 176.870 -0.006 0.000 1.237 44 L CA 1.145 55.972 54.840 -0.021 0.000 0.905 44 L CB 0.175 42.189 42.059 -0.075 0.000 1.149 44 L HN 0.539 nan 8.230 nan 0.000 0.499 45 L N 3.052 124.289 121.223 0.022 0.000 2.805 45 L HA 0.407 4.747 4.340 0.001 0.000 0.242 45 L C 0.502 177.332 176.870 -0.067 0.000 1.180 45 L CA -1.139 53.724 54.840 0.038 0.000 1.001 45 L CB 0.178 42.348 42.059 0.185 0.000 1.864 45 L HN 0.596 nan 8.230 nan 0.000 0.551 46 N N 0.735 119.362 118.700 -0.122 0.000 2.414 46 N HA -0.045 4.695 4.740 0.001 0.000 0.268 46 N C 0.332 175.581 175.510 -0.435 0.000 1.286 46 N CA 0.173 53.067 53.050 -0.261 0.000 0.896 46 N CB 0.567 38.899 38.487 -0.259 0.000 1.093 46 N HN 0.589 nan 8.380 nan 0.000 0.480 47 T N 0.159 114.552 114.554 -0.269 0.000 3.278 47 T HA 0.094 4.444 4.350 0.001 0.000 0.251 47 T C 0.837 175.406 174.700 -0.217 0.000 1.039 47 T CA -0.551 61.403 62.100 -0.243 0.000 0.935 47 T CB -0.427 68.351 68.868 -0.149 0.000 1.034 47 T HN 0.182 nan 8.240 nan 0.000 0.575 48 V N 1.824 121.588 119.914 -0.250 0.000 2.811 48 V HA 0.665 4.785 4.120 0.001 0.000 0.302 48 V C 0.499 176.562 176.094 -0.052 0.000 1.063 48 V CA -0.578 61.647 62.300 -0.124 0.000 1.088 48 V CB 0.380 32.149 31.823 -0.090 0.000 0.982 48 V HN 0.734 nan 8.190 nan 0.000 0.485 49 A N 4.924 127.779 122.820 0.059 0.000 2.279 49 A HA 0.660 4.981 4.320 0.001 0.000 0.303 49 A C -0.785 176.977 177.584 0.297 0.000 1.108 49 A CA -0.430 51.700 52.037 0.156 0.000 0.830 49 A CB 0.321 19.477 19.000 0.260 0.000 1.106 49 A HN 1.002 nan 8.150 nan 0.000 0.493 50 H N 1.287 120.347 119.070 -0.017 0.000 2.556 50 H HA 0.269 4.825 4.556 0.000 0.000 0.310 50 H C 0.570 175.874 175.328 -0.039 0.000 1.057 50 H CA -0.430 55.608 56.048 -0.016 0.000 1.264 50 H CB 0.634 30.377 29.762 -0.030 0.000 1.404 50 H HN 0.844 nan 8.280 nan 0.000 0.462 51 N N 0.747 119.481 118.700 0.056 0.000 2.327 51 N HA 0.195 4.935 4.740 0.001 0.000 0.257 51 N C 1.012 176.502 175.510 -0.033 0.000 1.281 51 N CA -0.215 52.821 53.050 -0.024 0.000 0.942 51 N CB 1.114 39.584 38.487 -0.028 0.000 1.199 51 N HN 0.444 nan 8.380 nan 0.000 0.532 52 A N 0.120 122.898 122.820 -0.071 0.000 1.940 52 A HA -0.165 4.155 4.320 0.001 0.000 0.219 52 A C 2.339 179.909 177.584 -0.023 0.000 1.176 52 A CA 2.187 54.199 52.037 -0.042 0.000 0.631 52 A CB -1.308 17.667 19.000 -0.041 0.000 0.814 52 A HN 0.640 nan 8.150 nan 0.000 0.446 53 V N -3.014 116.867 119.914 -0.056 0.000 2.515 53 V HA -0.136 3.984 4.120 0.001 0.000 0.250 53 V C 2.136 178.221 176.094 -0.015 0.000 1.058 53 V CA 2.537 64.814 62.300 -0.039 0.000 1.064 53 V CB -1.687 30.100 31.823 -0.059 0.000 0.675 53 V HN 0.404 nan 8.190 nan 0.000 0.461 54 T N 1.857 116.418 114.554 0.012 0.000 2.770 54 T HA -0.109 4.242 4.350 0.001 0.000 0.263 54 T C 2.059 176.846 174.700 0.145 0.000 1.039 54 T CA 2.013 64.159 62.100 0.076 0.000 1.142 54 T CB -0.283 68.598 68.868 0.021 0.000 0.868 54 T HN 0.688 nan 8.240 nan 0.000 0.435 55 V N 0.679 120.669 119.914 0.127 0.000 2.490 55 V HA -0.187 3.934 4.120 0.001 0.000 0.250 55 V C 2.340 178.488 176.094 0.090 0.000 1.061 55 V CA 1.887 64.272 62.300 0.142 0.000 1.064 55 V CB -1.003 30.888 31.823 0.114 0.000 0.670 55 V HN 0.414 nan 8.190 nan 0.000 0.461 56 Q N 0.368 120.190 119.800 0.037 0.000 2.050 56 Q HA -0.224 4.117 4.340 0.001 0.000 0.202 56 Q C 2.533 178.502 176.000 -0.052 0.000 0.980 56 Q CA 2.214 58.013 55.803 -0.007 0.000 0.840 56 Q CB -0.110 28.607 28.738 -0.035 0.000 0.898 56 Q HN 0.662 nan 8.270 nan 0.000 0.424 57 R N 0.014 120.459 120.500 -0.092 0.000 2.096 57 R HA -0.131 4.209 4.340 0.001 0.000 0.235 57 R C 2.178 178.524 176.300 0.077 0.000 1.127 57 R CA 1.568 57.576 56.100 -0.153 0.000 0.968 57 R CB -0.091 30.148 30.300 -0.102 0.000 0.861 57 R HN 0.402 nan 8.270 nan 0.000 0.440 58 E N 0.084 120.352 120.200 0.114 0.000 2.077 58 E HA -0.161 4.189 4.350 0.001 0.000 0.193 58 E C 2.010 178.662 176.600 0.087 0.000 0.989 58 E CA 1.328 57.794 56.400 0.111 0.000 0.800 58 E CB 0.033 29.863 29.700 0.216 0.000 0.746 58 E HN 0.092 nan 8.360 nan 0.000 0.452 59 V N 1.228 121.191 119.914 0.081 0.000 2.343 59 V HA -0.257 3.863 4.120 0.001 0.000 0.247 59 V C 2.286 178.423 176.094 0.072 0.000 1.051 59 V CA 1.813 64.152 62.300 0.065 0.000 1.036 59 V CB -0.632 31.225 31.823 0.057 0.000 0.654 59 V HN 0.325 nan 8.190 nan 0.000 0.451 60 A N -0.515 122.364 122.820 0.099 0.000 2.019 60 A HA -0.062 4.259 4.320 0.001 0.000 0.219 60 A C 1.990 179.690 177.584 0.193 0.000 1.164 60 A CA 1.351 53.490 52.037 0.170 0.000 0.644 60 A CB -0.431 18.724 19.000 0.259 0.000 0.805 60 A HN 0.545 nan 8.150 nan 0.000 0.449 61 L N -0.805 120.526 121.223 0.179 0.000 2.611 61 L HA 0.078 4.418 4.340 0.001 0.000 0.229 61 L C 0.372 177.257 176.870 0.024 0.000 1.137 61 L CA 0.205 55.109 54.840 0.107 0.000 0.901 61 L CB -0.318 41.801 42.059 0.100 0.000 1.098 61 L HN 0.374 nan 8.230 nan 0.000 0.456 62 D N 0.248 120.662 120.400 0.024 0.000 2.686 62 D HA -0.203 4.437 4.640 0.001 0.000 0.235 62 D C 0.230 176.511 176.300 -0.031 0.000 1.160 62 D CA 0.533 54.529 54.000 -0.006 0.000 0.645 62 D CB -0.731 40.057 40.800 -0.020 0.000 1.039 62 D HN 0.057 nan 8.370 nan 0.000 0.423 63 V N 1.013 120.914 119.914 -0.022 0.000 3.111 63 V HA 0.213 4.333 4.120 0.001 0.000 0.343 63 V C 0.545 176.627 176.094 -0.020 0.000 1.417 63 V CA -0.121 62.148 62.300 -0.053 0.000 1.142 63 V CB 0.264 32.045 31.823 -0.071 0.000 1.114 63 V HN 0.351 nan 8.190 nan 0.000 0.520 64 N N 1.166 119.865 118.700 -0.002 0.000 3.178 64 N HA 0.031 4.771 4.740 0.001 0.000 0.300 64 N C 1.266 176.743 175.510 -0.055 0.000 1.242 64 N CA 0.236 53.308 53.050 0.035 0.000 1.192 64 N CB 0.557 39.078 38.487 0.057 0.000 1.463 64 N HN 0.495 nan 8.380 nan 0.000 0.539 65 E N 1.295 121.376 120.200 -0.198 0.000 2.106 65 E HA -0.064 4.287 4.350 0.001 0.000 0.192 65 E C -0.382 175.860 176.600 -0.597 0.000 0.984 65 E CA 1.153 57.208 56.400 -0.575 0.000 0.806 65 E CB 0.159 29.168 29.700 -1.153 0.000 0.750 65 E HN 0.402 nan 8.360 nan 0.000 0.458 66 W N 1.666 122.961 121.300 -0.008 0.000 2.363 66 W HA 0.348 5.008 4.660 0.001 0.000 0.314 66 W C -2.391 174.247 176.519 0.199 0.000 0.994 66 W CA -2.667 54.661 57.345 -0.028 0.000 1.449 66 W CB 0.625 29.883 29.460 -0.336 0.000 1.248 66 W HN -0.050 nan 8.180 nan 0.000 0.409 67 P HA -0.009 nan 4.420 nan 0.000 0.265 67 P C 1.045 178.543 177.300 0.330 0.000 1.187 67 P CA 0.783 64.074 63.100 0.317 0.000 0.766 67 P CB 0.938 32.789 31.700 0.252 0.000 0.820 68 S N 1.489 117.313 115.700 0.207 0.000 2.419 68 S HA -0.169 4.302 4.470 0.001 0.000 0.233 68 S C 1.330 176.020 174.600 0.150 0.000 1.016 68 S CA 1.425 59.704 58.200 0.133 0.000 0.974 68 S CB -0.491 62.756 63.200 0.078 0.000 0.786 68 S HN 0.580 nan 8.310 nan 0.000 0.492 69 E N 1.297 121.620 120.200 0.206 0.000 2.072 69 E HA -0.057 4.294 4.350 0.001 0.000 0.190 69 E C 1.979 178.697 176.600 0.197 0.000 0.982 69 E CA 0.837 57.400 56.400 0.272 0.000 0.803 69 E CB -0.094 29.703 29.700 0.161 0.000 0.755 69 E HN 0.535 nan 8.360 nan 0.000 0.453 70 E N -0.986 119.215 120.200 0.001 0.000 2.250 70 E HA 0.001 4.351 4.350 0.001 0.000 0.192 70 E C 0.616 176.919 176.600 -0.494 0.000 0.986 70 E CA 0.492 56.695 56.400 -0.327 0.000 0.849 70 E CB 0.242 29.556 29.700 -0.643 0.000 0.797 70 E HN 0.246 nan 8.360 nan 0.000 0.482 71 F N -0.815 119.197 119.950 0.102 0.000 2.746 71 F HA 0.337 4.865 4.527 0.001 0.000 0.313 71 F C 1.082 176.864 175.800 -0.029 0.000 1.095 71 F CA -0.085 57.941 58.000 0.044 0.000 1.224 71 F CB 0.696 39.735 39.000 0.065 0.000 1.060 71 F HN -0.076 nan 8.300 nan 0.000 0.584 72 G N -0.483 108.335 108.800 0.030 0.000 2.537 72 G HA2 0.449 4.410 3.960 0.001 0.000 0.297 72 G HA3 0.449 4.410 3.960 0.001 0.000 0.297 72 G C -1.438 173.170 174.900 -0.487 0.000 1.310 72 G CA -0.373 44.611 45.100 -0.194 0.000 1.027 72 G HN 0.184 nan 8.290 nan 0.000 0.505 73 Y N -3.335 116.587 120.300 -0.631 0.000 2.602 73 Y HA 0.732 5.283 4.550 0.001 0.000 0.342 73 Y C -0.424 175.011 175.900 -0.775 0.000 1.029 73 Y CA -1.685 55.962 58.100 -0.754 0.000 1.080 73 Y CB 1.589 39.900 38.460 -0.249 0.000 1.284 73 Y HN 0.251 nan 8.280 nan 0.000 0.485 74 F N 0.383 120.465 119.950 0.219 0.000 2.746 74 F HA 0.680 5.207 4.527 0.001 0.000 0.320 74 F C 0.771 176.632 175.800 0.101 0.000 1.097 74 F CA -0.170 57.889 58.000 0.099 0.000 1.195 74 F CB 1.251 40.317 39.000 0.109 0.000 1.056 74 F HN 0.928 nan 8.300 nan 0.000 0.562 75 G N -1.141 107.824 108.800 0.275 0.000 2.554 75 G HA2 0.434 4.395 3.960 0.001 0.000 0.306 75 G HA3 0.434 4.395 3.960 0.001 0.000 0.306 75 G C -2.020 172.851 174.900 -0.047 0.000 1.320 75 G CA -0.758 44.312 45.100 -0.051 0.000 0.800 75 G HN 0.163 nan 8.290 nan 0.000 0.481 76 H N -0.688 118.101 119.070 -0.468 0.000 2.547 76 H HA 0.447 5.004 4.556 0.001 0.000 0.342 76 H C -1.175 173.729 175.328 -0.706 0.000 1.048 76 H CA -0.508 55.191 56.048 -0.582 0.000 1.204 76 H CB 2.077 31.343 29.762 -0.826 0.000 1.493 76 H HN 0.379 nan 8.280 nan 0.000 0.511 77 Y N 1.903 122.069 120.300 -0.224 0.000 2.299 77 Y HA 0.148 4.698 4.550 0.001 0.000 0.326 77 Y C -0.527 175.076 175.900 -0.494 0.000 1.164 77 Y CA -0.132 57.874 58.100 -0.156 0.000 1.234 77 Y CB 0.616 39.081 38.460 0.009 0.000 1.219 77 Y HN 0.525 nan 8.280 nan 0.000 0.497 78 Y N 2.510 122.735 120.300 -0.125 0.000 2.350 78 Y HA 0.346 4.896 4.550 0.000 0.000 0.338 78 Y C -1.029 174.764 175.900 -0.178 0.000 0.961 78 Y CA -1.262 56.629 58.100 -0.347 0.000 1.100 78 Y CB 1.180 38.991 38.460 -1.081 0.000 1.179 78 Y HN 0.522 nan 8.280 nan 0.000 0.454 79 Y N 2.930 123.277 120.300 0.078 0.000 2.350 79 Y HA 0.734 5.284 4.550 0.000 0.000 0.338 79 Y C -1.473 174.564 175.900 0.228 0.000 0.961 79 Y CA -1.174 57.005 58.100 0.133 0.000 1.100 79 Y CB 1.280 39.803 38.460 0.104 0.000 1.179 79 Y HN 0.374 nan 8.280 nan 0.000 0.454 80 V N 6.491 126.222 119.914 -0.305 0.000 2.407 80 V HA 0.561 4.681 4.120 0.001 0.000 0.291 80 V C 0.594 176.408 176.094 -0.468 0.000 1.018 80 V CA -0.593 61.645 62.300 -0.103 0.000 0.842 80 V CB 1.069 32.984 31.823 0.153 0.000 0.996 80 V HN 1.025 nan 8.190 nan 0.000 0.426 81 G N 2.519 111.154 108.800 -0.275 0.000 2.684 81 G HA2 0.637 4.598 3.960 0.001 0.000 0.255 81 G HA3 0.637 4.598 3.960 0.001 0.000 0.255 81 G C 0.278 175.095 174.900 -0.139 0.000 1.219 81 G CA 0.409 45.405 45.100 -0.174 0.000 0.901 81 G HN 1.605 nan 8.290 nan 0.000 0.548 82 G N -1.024 107.727 108.800 -0.082 0.000 2.347 82 G HA2 0.186 4.147 3.960 0.001 0.000 0.477 82 G HA3 0.186 4.147 3.960 0.001 0.000 0.477 82 G C -1.888 172.986 174.900 -0.042 0.000 1.349 82 G CA 0.025 45.089 45.100 -0.059 0.000 1.000 82 G HN 0.511 nan 8.290 nan 0.000 0.605 83 P HA -0.020 nan 4.420 nan 0.000 0.216 83 P C 0.678 177.967 177.300 -0.019 0.000 1.150 83 P CA 1.483 64.568 63.100 -0.024 0.000 0.843 83 P CB 0.264 31.952 31.700 -0.020 0.000 0.787 84 Q N -0.002 119.783 119.800 -0.024 0.000 2.413 84 Q HA 0.342 4.682 4.340 0.001 0.000 0.258 84 Q C -2.665 173.307 176.000 -0.047 0.000 1.037 84 Q CA -2.663 53.127 55.803 -0.023 0.000 0.764 84 Q CB 0.516 29.242 28.738 -0.020 0.000 1.217 84 Q HN -0.004 nan 8.270 nan 0.000 0.490 85 P HA 0.269 nan 4.420 nan 0.000 0.276 85 P C -0.895 176.332 177.300 -0.120 0.000 1.244 85 P CA -0.168 62.827 63.100 -0.175 0.000 0.801 85 P CB 0.705 32.288 31.700 -0.194 0.000 1.006 86 M N 1.885 121.394 119.600 -0.152 0.000 2.180 86 M HA 0.437 4.917 4.480 0.001 0.000 0.350 86 M C 0.231 176.612 176.300 0.135 0.000 1.125 86 M CA -0.109 55.224 55.300 0.054 0.000 1.031 86 M CB 1.442 34.139 32.600 0.163 0.000 1.623 86 M HN 0.085 nan 8.290 nan 0.000 0.451 87 R N 4.183 124.847 120.500 0.274 0.000 2.409 87 R HA 0.733 5.073 4.340 0.001 0.000 0.313 87 R C -1.378 175.203 176.300 0.468 0.000 0.953 87 R CA -0.373 55.927 56.100 0.333 0.000 0.849 87 R CB 1.387 31.862 30.300 0.292 0.000 1.171 87 R HN 0.770 nan 8.270 nan 0.000 0.458 88 F N 0.209 120.333 119.950 0.290 0.000 2.715 88 F HA 0.618 5.145 4.527 0.000 0.000 0.318 88 F C -1.659 174.402 175.800 0.435 0.000 1.141 88 F CA -1.474 56.702 58.000 0.293 0.000 0.950 88 F CB 1.400 40.498 39.000 0.162 0.000 1.374 88 F HN 0.350 nan 8.300 nan 0.000 0.477 89 Y N 0.234 120.731 120.300 0.328 0.000 2.492 89 Y HA 0.772 5.322 4.550 0.001 0.000 0.346 89 Y C -0.909 175.128 175.900 0.228 0.000 0.997 89 Y CA -1.064 57.092 58.100 0.093 0.000 1.025 89 Y CB 2.472 40.823 38.460 -0.182 0.000 1.263 89 Y HN 1.041 nan 8.280 nan 0.000 0.454 90 G N 4.191 112.631 108.800 -0.600 0.000 2.617 90 G HA2 0.350 4.310 3.960 0.001 0.000 0.306 90 G HA3 0.350 4.310 3.960 0.001 0.000 0.306 90 G C -1.685 172.729 174.900 -0.810 0.000 1.360 90 G CA -0.788 44.087 45.100 -0.376 0.000 0.983 90 G HN 0.587 nan 8.290 nan 0.000 0.496 91 D N 0.692 120.876 120.400 -0.361 0.000 2.341 91 D HA 0.255 4.896 4.640 0.001 0.000 0.245 91 D C 0.185 176.413 176.300 -0.119 0.000 1.106 91 D CA 0.248 54.155 54.000 -0.155 0.000 0.905 91 D CB 2.133 42.983 40.800 0.083 0.000 1.202 91 D HN 0.097 nan 8.370 nan 0.000 0.426 92 L N 2.404 123.573 121.223 -0.089 0.000 2.307 92 L HA 0.212 4.552 4.340 0.001 0.000 0.282 92 L C 1.884 178.768 176.870 0.024 0.000 1.051 92 L CA -0.524 54.274 54.840 -0.069 0.000 0.804 92 L CB 1.341 43.321 42.059 -0.131 0.000 1.197 92 L HN 0.219 nan 8.230 nan 0.000 0.431 93 K N 2.062 122.487 120.400 0.041 0.000 2.057 93 K HA 0.001 4.321 4.320 0.001 0.000 0.207 93 K C 0.425 177.065 176.600 0.067 0.000 1.049 93 K CA 1.230 57.557 56.287 0.068 0.000 0.931 93 K CB 0.078 32.630 32.500 0.087 0.000 0.714 93 K HN 0.703 nan 8.250 nan 0.000 0.440 94 A N 1.363 124.211 122.820 0.047 0.000 2.401 94 A HA 0.504 4.824 4.320 0.001 0.000 0.310 94 A C -2.709 174.878 177.584 0.006 0.000 1.075 94 A CA -1.769 50.298 52.037 0.049 0.000 0.746 94 A CB 1.137 20.161 19.000 0.041 0.000 1.277 94 A HN -0.139 nan 8.150 nan 0.000 0.425 95 P HA 0.299 nan 4.420 nan 0.000 0.269 95 P C -0.174 176.965 177.300 -0.268 0.000 1.209 95 P CA 0.177 63.206 63.100 -0.119 0.000 0.776 95 P CB 0.854 32.525 31.700 -0.048 0.000 0.876 96 S N 1.717 117.069 115.700 -0.581 0.000 2.722 96 S HA 0.631 5.101 4.470 0.001 0.000 0.292 96 S C -0.222 173.971 174.600 -0.678 0.000 1.135 96 S CA -0.662 57.164 58.200 -0.622 0.000 1.003 96 S CB 0.960 63.699 63.200 -0.767 0.000 1.067 96 S HN 0.386 nan 8.310 nan 0.000 0.546 97 R N 0.268 120.580 120.500 -0.313 0.000 2.548 97 R HA 0.577 4.917 4.340 0.001 0.000 0.280 97 R C -2.021 174.258 176.300 -0.034 0.000 1.061 97 R CA -0.482 55.544 56.100 -0.124 0.000 0.915 97 R CB 1.536 31.809 30.300 -0.044 0.000 1.210 97 R HN 0.731 nan 8.270 nan 0.000 0.442 98 A N 3.933 126.762 122.820 0.016 0.000 2.291 98 A HA 0.600 4.921 4.320 0.001 0.000 0.311 98 A C -1.118 176.343 177.584 -0.204 0.000 1.224 98 A CA -0.532 51.451 52.037 -0.091 0.000 0.821 98 A CB 1.520 20.511 19.000 -0.014 0.000 1.172 98 A HN 0.335 nan 8.150 nan 0.000 0.494 99 V N 2.860 122.568 119.914 -0.342 0.000 2.487 99 V HA 0.226 4.347 4.120 0.001 0.000 0.298 99 V C -0.174 175.728 176.094 -0.321 0.000 1.028 99 V CA -0.826 61.205 62.300 -0.448 0.000 0.860 99 V CB 1.778 33.186 31.823 -0.692 0.000 0.991 99 V HN 0.985 nan 8.190 nan 0.000 0.427 100 D N 2.909 123.106 120.400 -0.338 0.000 2.772 100 D HA -0.150 4.491 4.640 0.001 0.000 0.227 100 D C 0.622 176.889 176.300 -0.055 0.000 1.114 100 D CA 0.648 54.498 54.000 -0.250 0.000 0.832 100 D CB 0.490 41.020 40.800 -0.450 0.000 1.154 100 D HN 0.506 nan 8.370 nan 0.000 0.514 101 Y N 3.501 123.730 120.300 -0.119 0.000 2.403 101 Y HA -0.107 4.443 4.550 0.001 0.000 0.291 101 Y C 2.184 178.119 175.900 0.058 0.000 1.143 101 Y CA 0.889 59.007 58.100 0.031 0.000 1.257 101 Y CB -0.010 38.504 38.460 0.091 0.000 0.984 101 Y HN 0.473 nan 8.280 nan 0.000 0.550 102 R N -0.854 119.758 120.500 0.186 0.000 2.307 102 R HA 0.006 4.346 4.340 0.001 0.000 0.199 102 R C 1.539 177.910 176.300 0.118 0.000 1.000 102 R CA 0.642 56.897 56.100 0.258 0.000 1.023 102 R CB -0.017 30.490 30.300 0.345 0.000 0.908 102 R HN 0.336 nan 8.270 nan 0.000 0.473 103 L N -2.144 119.045 121.223 -0.056 0.000 2.467 103 L HA 0.077 4.417 4.340 0.001 0.000 0.213 103 L C 1.838 178.756 176.870 0.079 0.000 1.053 103 L CA 0.175 54.995 54.840 -0.034 0.000 0.847 103 L CB -0.182 41.725 42.059 -0.254 0.000 1.075 103 L HN 0.068 nan 8.230 nan 0.000 0.479 104 Y N 0.960 121.183 120.300 -0.129 0.000 2.184 104 Y HA -0.174 4.376 4.550 0.001 0.000 0.290 104 Y C 2.725 178.549 175.900 -0.127 0.000 1.129 104 Y CA 1.414 59.500 58.100 -0.024 0.000 1.144 104 Y CB 0.123 38.499 38.460 -0.140 0.000 0.995 104 Y HN 0.078 nan 8.280 nan 0.000 0.513 105 Q N 0.324 119.917 119.800 -0.345 0.000 2.050 105 Q HA -0.115 4.225 4.340 0.001 0.000 0.202 105 Q C -0.305 175.355 176.000 -0.568 0.000 0.980 105 Q CA 1.923 57.389 55.803 -0.562 0.000 0.840 105 Q CB -1.994 26.333 28.738 -0.685 0.000 0.898 105 Q HN 0.433 nan 8.270 nan 0.000 0.424 106 P HA -0.166 nan 4.420 nan 0.000 0.218 106 P C 1.548 178.723 177.300 -0.209 0.000 1.148 106 P CA 1.087 63.977 63.100 -0.350 0.000 0.822 106 P CB -0.213 31.372 31.700 -0.191 0.000 0.784 107 M N -0.188 119.303 119.600 -0.181 0.000 2.108 107 M HA -0.121 4.359 4.480 0.001 0.000 0.261 107 M C 2.057 178.227 176.300 -0.217 0.000 1.066 107 M CA 1.708 56.902 55.300 -0.176 0.000 1.107 107 M CB -1.234 31.276 32.600 -0.151 0.000 1.356 107 M HN -0.106 nan 8.290 nan 0.000 0.406 108 L N -0.489 120.554 121.223 -0.299 0.000 2.046 108 L HA -0.254 4.087 4.340 0.001 0.000 0.208 108 L C 2.606 179.437 176.870 -0.065 0.000 1.077 108 L CA 1.235 55.949 54.840 -0.211 0.000 0.747 108 L CB -0.679 41.233 42.059 -0.246 0.000 0.896 108 L HN 0.342 nan 8.230 nan 0.000 0.432 109 M N -0.958 118.595 119.600 -0.078 0.000 2.117 109 M HA -0.153 4.327 4.480 0.001 0.000 0.262 109 M C 2.460 178.773 176.300 0.023 0.000 1.065 109 M CA 1.484 56.786 55.300 0.002 0.000 1.114 109 M CB -0.380 32.087 32.600 -0.221 0.000 1.361 109 M HN 0.143 nan 8.290 nan 0.000 0.408 110 R N 0.365 120.835 120.500 -0.050 0.000 2.096 110 R HA -0.014 4.327 4.340 0.001 0.000 0.235 110 R C 2.241 178.541 176.300 -0.000 0.000 1.127 110 R CA 1.604 57.688 56.100 -0.026 0.000 0.968 110 R CB -1.172 29.094 30.300 -0.057 0.000 0.861 110 R HN 0.417 nan 8.270 nan 0.000 0.440 111 A N 1.174 123.980 122.820 -0.024 0.000 1.873 111 A HA -0.124 4.196 4.320 0.001 0.000 0.215 111 A C 2.192 179.786 177.584 0.016 0.000 1.186 111 A CA 1.029 53.051 52.037 -0.026 0.000 0.616 111 A CB -0.503 18.459 19.000 -0.064 0.000 0.823 111 A HN 0.206 nan 8.150 nan 0.000 0.442 112 L N 0.083 121.345 121.223 0.066 0.000 2.056 112 L HA -0.113 4.227 4.340 0.001 0.000 0.207 112 L C 2.232 179.169 176.870 0.112 0.000 1.078 112 L CA 2.576 57.465 54.840 0.082 0.000 0.749 112 L CB -0.641 41.490 42.059 0.120 0.000 0.901 112 L HN 0.606 nan 8.230 nan 0.000 0.433 113 E N -0.542 119.801 120.200 0.237 0.000 2.051 113 E HA -0.239 4.111 4.350 0.001 0.000 0.192 113 E C 2.033 178.688 176.600 0.091 0.000 0.991 113 E CA 1.210 57.744 56.400 0.224 0.000 0.799 113 E CB -0.212 29.629 29.700 0.235 0.000 0.748 113 E HN 0.590 nan 8.360 nan 0.000 0.449 114 A N 0.492 123.345 122.820 0.055 0.000 2.121 114 A HA -0.070 4.250 4.320 0.001 0.000 0.218 114 A C 1.880 179.465 177.584 0.003 0.000 1.154 114 A CA 0.810 52.858 52.037 0.019 0.000 0.679 114 A CB -0.187 18.813 19.000 0.001 0.000 0.795 114 A HN 0.105 nan 8.150 nan 0.000 0.458 115 R N -1.646 118.855 120.500 0.000 0.000 2.466 115 R HA 0.281 4.621 4.340 0.001 0.000 0.279 115 R C 1.092 177.375 176.300 -0.027 0.000 0.976 115 R CA 0.556 56.643 56.100 -0.021 0.000 1.081 115 R CB 0.114 30.394 30.300 -0.032 0.000 1.215 115 R HN 0.602 nan 8.270 nan 0.000 0.546 116 G N -0.376 108.415 108.800 -0.016 0.000 2.175 116 G HA2 -0.242 3.719 3.960 0.001 0.000 0.244 116 G HA3 -0.242 3.719 3.960 0.001 0.000 0.244 116 G C 0.412 175.280 174.900 -0.053 0.000 0.982 116 G CA -0.275 44.809 45.100 -0.027 0.000 0.641 116 G HN 0.499 nan 8.290 nan 0.000 0.527 117 G N 0.456 109.212 108.800 -0.074 0.000 2.365 117 G HA2 0.463 4.424 3.960 0.001 0.000 0.249 117 G HA3 0.463 4.424 3.960 0.001 0.000 0.249 117 G C 0.070 174.830 174.900 -0.233 0.000 1.288 117 G CA 0.170 45.162 45.100 -0.180 0.000 0.887 117 G HN 0.477 nan 8.290 nan 0.000 0.524 118 K N 0.944 121.154 120.400 -0.317 0.000 2.138 118 K HA 0.456 4.776 4.320 0.001 0.000 0.263 118 K C -1.135 175.135 176.600 -0.549 0.000 0.965 118 K CA -0.353 55.767 56.287 -0.278 0.000 0.868 118 K CB 1.629 34.026 32.500 -0.171 0.000 1.083 118 K HN 0.373 nan 8.250 nan 0.000 0.443 119 F N 1.199 120.977 119.950 -0.287 0.000 2.467 119 F HA 0.272 4.800 4.527 0.001 0.000 0.336 119 F C -0.109 175.323 175.800 -0.614 0.000 1.123 119 F CA -0.850 56.830 58.000 -0.534 0.000 0.964 119 F CB 1.397 39.941 39.000 -0.760 0.000 1.136 119 F HN 0.415 nan 8.300 nan 0.000 0.447 120 C N 5.692 124.694 119.300 -0.496 0.000 2.239 120 C HA 0.473 4.933 4.460 0.001 0.000 0.323 120 C C -0.548 174.296 174.990 -0.244 0.000 1.205 120 C CA -0.853 57.936 59.018 -0.382 0.000 1.584 120 C CB -1.499 25.912 27.740 -0.549 0.000 2.201 120 C HN 0.669 nan 8.230 nan 0.000 0.475 121 Y N 4.714 125.058 120.300 0.074 0.000 2.594 121 Y HA 0.409 4.960 4.550 0.000 0.000 0.344 121 Y C 0.821 176.776 175.900 0.093 0.000 1.185 121 Y CA 0.477 58.632 58.100 0.092 0.000 1.565 121 Y CB -0.194 38.301 38.460 0.059 0.000 1.415 121 Y HN 0.664 nan 8.280 nan 0.000 0.488 122 D N 0.896 121.434 120.400 0.231 0.000 2.654 122 D HA 0.530 5.170 4.640 0.001 0.000 0.231 122 D C -1.315 175.053 176.300 0.112 0.000 1.239 122 D CA -0.656 53.443 54.000 0.165 0.000 0.790 122 D CB 2.108 43.015 40.800 0.178 0.000 1.480 122 D HN 0.356 nan 8.370 nan 0.000 0.442 123 A N 1.714 124.517 122.820 -0.027 0.000 2.328 123 A HA 0.549 4.869 4.320 0.001 0.000 0.284 123 A C -0.355 176.977 177.584 -0.420 0.000 1.160 123 A CA -0.397 51.445 52.037 -0.324 0.000 0.818 123 A CB 0.837 19.598 19.000 -0.398 0.000 1.087 123 A HN 0.254 nan 8.150 nan 0.000 0.504 124 V N 3.224 122.798 119.914 -0.566 0.000 2.370 124 V HA 0.343 4.463 4.120 0.001 0.000 0.283 124 V C 0.447 176.352 176.094 -0.315 0.000 1.023 124 V CA -0.270 61.840 62.300 -0.315 0.000 0.857 124 V CB 1.254 32.979 31.823 -0.164 0.000 0.985 124 V HN 0.950 nan 8.190 nan 0.000 0.443 125 S N 3.057 118.641 115.700 -0.193 0.000 2.672 125 S HA 0.520 4.990 4.470 0.001 0.000 0.276 125 S C 1.489 176.068 174.600 -0.035 0.000 1.207 125 S CA 0.068 58.215 58.200 -0.087 0.000 1.002 125 S CB 1.716 64.873 63.200 -0.071 0.000 0.998 125 S HN 0.948 nan 8.310 nan 0.000 0.542 126 A N 1.259 124.082 122.820 0.004 0.000 1.940 126 A HA -0.144 4.176 4.320 0.001 0.000 0.219 126 A C 1.774 179.341 177.584 -0.028 0.000 1.176 126 A CA 1.699 53.734 52.037 -0.003 0.000 0.631 126 A CB -0.711 18.292 19.000 0.005 0.000 0.814 126 A HN 0.801 nan 8.150 nan 0.000 0.446 127 E N 0.450 120.633 120.200 -0.028 0.000 2.204 127 E HA -0.123 4.227 4.350 0.001 0.000 0.195 127 E C 1.205 177.781 176.600 -0.040 0.000 0.990 127 E CA 1.218 57.599 56.400 -0.031 0.000 0.821 127 E CB -0.135 29.549 29.700 -0.026 0.000 0.750 127 E HN 0.588 nan 8.360 nan 0.000 0.477 128 D N -0.137 120.231 120.400 -0.053 0.000 2.317 128 D HA -0.044 4.596 4.640 0.001 0.000 0.211 128 D C 1.784 178.041 176.300 -0.072 0.000 0.966 128 D CA 0.357 54.317 54.000 -0.067 0.000 0.876 128 D CB 0.050 40.792 40.800 -0.096 0.000 0.927 128 D HN 0.226 nan 8.370 nan 0.000 0.519 129 L N 0.800 121.985 121.223 -0.064 0.000 2.042 129 L HA -0.169 4.172 4.340 0.001 0.000 0.210 129 L C 2.501 179.346 176.870 -0.041 0.000 1.076 129 L CA 1.181 55.985 54.840 -0.060 0.000 0.749 129 L CB -0.351 41.676 42.059 -0.053 0.000 0.893 129 L HN 0.008 nan 8.230 nan 0.000 0.432 130 E N 0.192 120.370 120.200 -0.037 0.000 2.077 130 E HA -0.188 4.163 4.350 0.001 0.000 0.193 130 E C 2.180 178.770 176.600 -0.016 0.000 0.989 130 E CA 1.144 57.529 56.400 -0.025 0.000 0.800 130 E CB -0.136 29.549 29.700 -0.026 0.000 0.746 130 E HN 0.481 nan 8.360 nan 0.000 0.452 131 G N 0.942 109.729 108.800 -0.021 0.000 2.418 131 G HA2 -0.224 3.736 3.960 0.001 0.000 0.217 131 G HA3 -0.224 3.736 3.960 0.001 0.000 0.217 131 G C 1.554 176.453 174.900 -0.003 0.000 1.158 131 G CA 0.515 45.605 45.100 -0.016 0.000 0.771 131 G HN 0.178 nan 8.290 nan 0.000 0.545 132 L N 1.558 122.779 121.223 -0.004 0.000 2.093 132 L HA -0.078 4.263 4.340 0.001 0.000 0.208 132 L C 3.267 180.221 176.870 0.139 0.000 1.085 132 L CA 1.378 56.252 54.840 0.055 0.000 0.755 132 L CB -0.384 41.637 42.059 -0.063 0.000 0.904 132 L HN 0.423 nan 8.230 nan 0.000 0.435 133 S N -0.674 115.066 115.700 0.066 0.000 2.423 133 S HA -0.181 4.289 4.470 0.001 0.000 0.231 133 S C 1.581 176.220 174.600 0.065 0.000 1.014 133 S CA 0.984 59.228 58.200 0.074 0.000 0.965 133 S CB -0.289 62.931 63.200 0.033 0.000 0.785 133 S HN 0.503 nan 8.310 nan 0.000 0.495 134 E N 0.646 120.864 120.200 0.030 0.000 2.478 134 E HA 0.077 4.427 4.350 0.001 0.000 0.194 134 E C 1.939 178.516 176.600 -0.039 0.000 1.045 134 E CA 0.247 56.648 56.400 0.001 0.000 0.868 134 E CB 0.007 29.701 29.700 -0.010 0.000 0.885 134 E HN 0.683 nan 8.360 nan 0.000 0.505 135 Q N -0.671 119.091 119.800 -0.063 0.000 2.396 135 Q HA 0.068 4.408 4.340 0.001 0.000 0.209 135 Q C -0.331 175.362 176.000 -0.511 0.000 0.906 135 Q CA 0.499 56.133 55.803 -0.283 0.000 0.927 135 Q CB 0.610 29.136 28.738 -0.352 0.000 1.069 135 Q HN 0.194 nan 8.270 nan 0.000 0.523 136 Y N -0.882 119.420 120.300 0.003 0.000 2.605 136 Y HA 0.168 4.718 4.550 0.001 0.000 0.343 136 Y C 0.660 176.555 175.900 -0.008 0.000 1.036 136 Y CA -1.143 56.955 58.100 -0.003 0.000 1.065 136 Y CB 1.201 39.656 38.460 -0.007 0.000 1.288 136 Y HN -0.169 nan 8.280 nan 0.000 0.481 137 D N 0.494 120.990 120.400 0.160 0.000 2.144 137 D HA -0.057 4.584 4.640 0.001 0.000 0.200 137 D C -0.243 176.093 176.300 0.059 0.000 0.978 137 D CA 1.686 55.760 54.000 0.123 0.000 0.833 137 D CB 0.392 41.287 40.800 0.158 0.000 0.961 137 D HN 0.204 nan 8.370 nan 0.000 0.470 138 L N 0.156 121.333 121.223 -0.076 0.000 2.455 138 L HA 0.408 4.748 4.340 0.001 0.000 0.264 138 L C -1.862 174.935 176.870 -0.122 0.000 0.968 138 L CA -0.886 53.825 54.840 -0.216 0.000 0.827 138 L CB 2.187 43.822 42.059 -0.708 0.000 1.317 138 L HN -0.237 nan 8.230 nan 0.000 0.407 139 L N 5.223 126.409 121.223 -0.062 0.000 2.296 139 L HA 0.782 5.122 4.340 0.001 0.000 0.286 139 L C -1.159 175.695 176.870 -0.027 0.000 1.023 139 L CA -0.337 54.466 54.840 -0.062 0.000 0.812 139 L CB 1.750 43.803 42.059 -0.010 0.000 1.223 139 L HN 0.526 nan 8.230 nan 0.000 0.421 140 V N 6.497 126.383 119.914 -0.048 0.000 2.495 140 V HA 0.689 4.809 4.120 0.001 0.000 0.298 140 V C -1.045 175.059 176.094 0.018 0.000 1.031 140 V CA -0.414 61.886 62.300 -0.000 0.000 0.871 140 V CB 2.115 33.918 31.823 -0.034 0.000 0.988 140 V HN 0.525 nan 8.190 nan 0.000 0.432 141 V N 6.413 126.363 119.914 0.061 0.000 2.483 141 V HA 0.405 4.526 4.120 0.001 0.000 0.295 141 V C 0.739 176.811 176.094 -0.036 0.000 1.035 141 V CA -0.009 62.328 62.300 0.062 0.000 0.896 141 V CB 1.096 33.039 31.823 0.201 0.000 0.986 141 V HN 1.165 nan 8.190 nan 0.000 0.447 142 C N 0.178 119.473 119.300 -0.008 0.000 3.911 142 C HA 0.300 4.761 4.460 0.001 0.000 0.318 142 C C 0.908 175.893 174.990 -0.009 0.000 1.643 142 C CA 0.036 59.032 59.018 -0.037 0.000 1.845 142 C CB -0.514 27.217 27.740 -0.014 0.000 2.981 142 C HN 0.752 nan 8.230 nan 0.000 0.656 143 T N 0.826 115.397 114.554 0.028 0.000 2.845 143 T HA 0.516 4.866 4.350 0.001 0.000 0.288 143 T C 1.190 175.879 174.700 -0.018 0.000 0.980 143 T CA 0.840 62.951 62.100 0.018 0.000 1.071 143 T CB 1.122 70.020 68.868 0.051 0.000 0.941 143 T HN 0.558 nan 8.240 nan 0.000 0.487 144 G N 3.784 112.553 108.800 -0.050 0.000 3.088 144 G HA2 0.167 4.127 3.960 0.001 0.000 0.212 144 G HA3 0.167 4.127 3.960 0.001 0.000 0.212 144 G C 0.496 175.331 174.900 -0.108 0.000 1.173 144 G CA -0.107 44.959 45.100 -0.057 0.000 0.779 144 G HN 0.602 nan 8.290 nan 0.000 0.540 145 K N -0.617 119.642 120.400 -0.235 0.000 2.098 145 K HA 0.387 4.707 4.320 0.001 0.000 0.244 145 K C -0.051 176.309 176.600 -0.400 0.000 1.014 145 K CA -0.841 55.147 56.287 -0.497 0.000 0.917 145 K CB 0.669 32.565 32.500 -1.006 0.000 1.072 145 K HN 0.155 nan 8.250 nan 0.000 0.477 146 Y N -1.227 119.095 120.300 0.035 0.000 4.409 146 Y HA -0.288 4.262 4.550 0.001 0.000 0.228 146 Y C 0.538 176.456 175.900 0.029 0.000 1.108 146 Y CA 0.372 58.490 58.100 0.031 0.000 1.955 146 Y CB -2.908 35.571 38.460 0.032 0.000 1.615 146 Y HN 0.827 nan 8.280 nan 0.000 0.665 147 A N -1.104 121.776 122.820 0.099 0.000 2.826 147 A HA -0.311 4.010 4.320 0.001 0.000 0.274 147 A C 1.327 178.966 177.584 0.093 0.000 1.443 147 A CA 1.410 53.492 52.037 0.076 0.000 0.833 147 A CB -1.824 17.216 19.000 0.067 0.000 1.023 147 A HN 0.718 nan 8.150 nan 0.000 0.600 148 L N -1.328 119.969 121.223 0.123 0.000 2.362 148 L HA -0.041 4.300 4.340 0.001 0.000 0.219 148 L C 2.580 179.570 176.870 0.200 0.000 1.134 148 L CA 1.062 55.995 54.840 0.154 0.000 0.807 148 L CB -0.447 41.728 42.059 0.194 0.000 0.927 148 L HN 0.633 nan 8.230 nan 0.000 0.447 149 G N 0.177 109.067 108.800 0.151 0.000 2.448 149 G HA2 -0.214 3.746 3.960 0.001 0.000 0.219 149 G HA3 -0.214 3.746 3.960 0.001 0.000 0.219 149 G C 1.638 176.632 174.900 0.158 0.000 1.127 149 G CA 0.273 45.474 45.100 0.167 0.000 0.766 149 G HN 0.337 nan 8.290 nan 0.000 0.552 150 K N 0.115 120.569 120.400 0.090 0.000 2.283 150 K HA 0.014 4.335 4.320 0.001 0.000 0.202 150 K C 2.345 178.945 176.600 0.000 0.000 1.048 150 K CA 0.649 56.962 56.287 0.043 0.000 0.948 150 K CB 0.004 32.520 32.500 0.027 0.000 0.742 150 K HN 0.272 nan 8.250 nan 0.000 0.458 151 V N 0.630 120.526 119.914 -0.031 0.000 2.548 151 V HA -0.120 4.000 4.120 0.001 0.000 0.249 151 V C 0.764 176.639 176.094 -0.364 0.000 1.055 151 V CA 1.091 63.256 62.300 -0.226 0.000 1.065 151 V CB -0.418 31.193 31.823 -0.352 0.000 0.681 151 V HN 0.083 nan 8.190 nan 0.000 0.462 152 F N 0.951 120.868 119.950 -0.055 0.000 2.371 152 F HA 0.352 4.880 4.527 0.000 0.000 0.363 152 F C 0.686 176.439 175.800 -0.078 0.000 1.122 152 F CA -0.748 57.200 58.000 -0.086 0.000 1.129 152 F CB 0.299 39.245 39.000 -0.091 0.000 1.173 152 F HN -0.002 nan 8.300 nan 0.000 0.489 153 E N 4.269 124.489 120.200 0.033 0.000 2.480 153 E HA -0.063 4.287 4.350 0.001 0.000 0.258 153 E C -0.035 176.588 176.600 0.038 0.000 0.984 153 E CA -0.135 56.273 56.400 0.014 0.000 0.930 153 E CB 0.562 30.251 29.700 -0.019 0.000 0.936 153 E HN 0.493 nan 8.360 nan 0.000 0.466 154 K N 3.726 124.148 120.400 0.038 0.000 2.412 154 K HA -0.017 4.303 4.320 0.001 0.000 0.281 154 K C -0.381 176.252 176.600 0.055 0.000 1.027 154 K CA 0.159 56.473 56.287 0.045 0.000 0.989 154 K CB 0.524 33.048 32.500 0.040 0.000 0.935 154 K HN 0.506 nan 8.250 nan 0.000 0.475 155 Q N 2.325 122.179 119.800 0.090 0.000 2.406 155 Q HA 0.035 4.375 4.340 0.001 0.000 0.242 155 Q C 0.969 177.012 176.000 0.071 0.000 1.036 155 Q CA -0.391 55.474 55.803 0.103 0.000 0.904 155 Q CB 1.161 30.014 28.738 0.191 0.000 1.244 155 Q HN 0.791 nan 8.270 nan 0.000 0.478 156 S N 2.009 117.731 115.700 0.037 0.000 2.399 156 S HA -0.207 4.264 4.470 0.001 0.000 0.231 156 S C 1.564 176.155 174.600 -0.015 0.000 1.022 156 S CA 1.266 59.472 58.200 0.011 0.000 0.983 156 S CB -0.023 63.182 63.200 0.008 0.000 0.803 156 S HN 0.753 nan 8.310 nan 0.000 0.480 157 E N 2.276 122.470 120.200 -0.011 0.000 2.338 157 E HA -0.130 4.220 4.350 0.001 0.000 0.197 157 E C 0.570 177.122 176.600 -0.080 0.000 1.007 157 E CA 1.155 57.533 56.400 -0.036 0.000 0.849 157 E CB -0.741 28.947 29.700 -0.021 0.000 0.774 157 E HN 0.815 nan 8.360 nan 0.000 0.506 158 N N -0.256 118.398 118.700 -0.077 0.000 2.184 158 N HA 0.094 4.835 4.740 0.001 0.000 0.206 158 N C -0.729 174.712 175.510 -0.115 0.000 1.151 158 N CA -0.109 52.841 53.050 -0.165 0.000 0.878 158 N CB 1.017 39.334 38.487 -0.284 0.000 1.014 158 N HN -0.097 nan 8.380 nan 0.000 0.512 159 S N 1.500 117.155 115.700 -0.074 0.000 2.252 159 S HA 0.203 4.674 4.470 0.001 0.000 0.187 159 S C -1.855 172.649 174.600 -0.159 0.000 1.587 159 S CA -0.904 57.252 58.200 -0.074 0.000 1.215 159 S CB 1.202 64.413 63.200 0.019 0.000 1.085 159 S HN 0.169 nan 8.310 nan 0.000 0.466 160 P HA 0.091 nan 4.420 nan 0.000 0.225 160 P C -0.283 176.792 177.300 -0.374 0.000 1.156 160 P CA 0.546 63.372 63.100 -0.456 0.000 0.787 160 P CB 0.037 31.286 31.700 -0.752 0.000 0.802 161 F N 1.001 120.946 119.950 -0.008 0.000 2.450 161 F HA 0.313 4.841 4.527 0.001 0.000 0.332 161 F C 1.586 177.384 175.800 -0.003 0.000 1.093 161 F CA -1.237 56.756 58.000 -0.011 0.000 1.003 161 F CB 1.062 40.048 39.000 -0.023 0.000 1.151 161 F HN -0.121 nan 8.300 nan 0.000 0.474 162 E N 0.452 120.769 120.200 0.194 0.000 2.601 162 E HA 0.151 4.501 4.350 0.001 0.000 0.219 162 E C -0.181 176.467 176.600 0.079 0.000 0.964 162 E CA -0.350 56.115 56.400 0.107 0.000 1.050 162 E CB 0.685 30.428 29.700 0.071 0.000 1.068 162 E HN 0.517 nan 8.360 nan 0.000 0.496 163 K N 0.927 121.373 120.400 0.076 0.000 2.480 163 K HA 0.497 4.817 4.320 0.001 0.000 0.258 163 K C -3.252 173.341 176.600 -0.013 0.000 0.990 163 K CA -2.396 53.908 56.287 0.028 0.000 0.857 163 K CB 1.472 33.980 32.500 0.014 0.000 1.384 163 K HN -0.327 nan 8.250 nan 0.000 0.446 164 P HA 0.070 nan 4.420 nan 0.000 0.264 164 P C 0.048 177.263 177.300 -0.142 0.000 1.193 164 P CA -0.024 63.035 63.100 -0.070 0.000 0.763 164 P CB 0.498 32.173 31.700 -0.042 0.000 0.810 165 Q N 1.576 121.231 119.800 -0.242 0.000 2.432 165 Q HA 0.061 4.402 4.340 0.001 0.000 0.205 165 Q C 0.438 176.294 176.000 -0.240 0.000 0.945 165 Q CA 0.899 56.488 55.803 -0.357 0.000 0.924 165 Q CB 0.270 28.631 28.738 -0.628 0.000 1.016 165 Q HN 0.412 nan 8.270 nan 0.000 0.503 166 R N -0.795 119.618 120.500 -0.146 0.000 2.626 166 R HA 0.550 4.890 4.340 0.001 0.000 0.274 166 R C -1.588 174.692 176.300 -0.034 0.000 1.031 166 R CA -0.222 55.833 56.100 -0.075 0.000 0.898 166 R CB 1.727 31.994 30.300 -0.055 0.000 1.222 166 R HN 0.010 nan 8.270 nan 0.000 0.455 167 A N 4.791 127.613 122.820 0.003 0.000 2.310 167 A HA 0.419 4.740 4.320 0.001 0.000 0.300 167 A C -0.534 177.045 177.584 -0.009 0.000 1.269 167 A CA -0.336 51.699 52.037 -0.004 0.000 0.909 167 A CB -0.025 18.997 19.000 0.037 0.000 1.144 167 A HN 0.585 nan 8.150 nan 0.000 0.540 168 L N 2.144 123.348 121.223 -0.031 0.000 2.312 168 L HA 0.452 4.792 4.340 0.001 0.000 0.281 168 L C -0.114 176.753 176.870 -0.005 0.000 1.070 168 L CA -0.476 54.356 54.840 -0.014 0.000 0.805 168 L CB 1.479 43.525 42.059 -0.022 0.000 1.174 168 L HN 0.738 nan 8.230 nan 0.000 0.434 169 C N 4.690 124.010 119.300 0.033 0.000 2.407 169 C HA 0.677 5.138 4.460 0.001 0.000 0.328 169 C C -0.584 174.466 174.990 0.099 0.000 1.137 169 C CA -0.481 58.588 59.018 0.085 0.000 1.390 169 C CB 0.844 28.673 27.740 0.148 0.000 1.989 169 C HN 0.642 nan 8.230 nan 0.000 0.432 170 V N 6.599 126.558 119.914 0.075 0.000 2.588 170 V HA 1.001 5.121 4.120 0.001 0.000 0.304 170 V C 0.058 176.180 176.094 0.047 0.000 1.042 170 V CA 0.789 63.128 62.300 0.065 0.000 0.877 170 V CB 1.686 33.510 31.823 0.002 0.000 0.996 170 V HN 1.226 nan 8.190 nan 0.000 0.425 171 G N 5.244 114.102 108.800 0.096 0.000 2.704 171 G HA2 0.583 4.544 3.960 0.001 0.000 0.293 171 G HA3 0.583 4.544 3.960 0.001 0.000 0.293 171 G C -1.884 172.903 174.900 -0.188 0.000 1.421 171 G CA -0.883 44.130 45.100 -0.144 0.000 0.870 171 G HN 0.822 nan 8.290 nan 0.000 0.492 172 L N 0.602 121.577 121.223 -0.413 0.000 2.275 172 L HA 0.597 4.938 4.340 0.001 0.000 0.288 172 L C -0.915 175.651 176.870 -0.507 0.000 1.046 172 L CA -0.504 54.169 54.840 -0.279 0.000 0.805 172 L CB 1.065 43.005 42.059 -0.198 0.000 1.193 172 L HN 0.352 nan 8.230 nan 0.000 0.426 173 F N 2.059 121.976 119.950 -0.054 0.000 2.551 173 F HA 0.472 4.999 4.527 0.000 0.000 0.316 173 F C 0.140 175.933 175.800 -0.011 0.000 1.089 173 F CA -0.858 57.103 58.000 -0.064 0.000 0.915 173 F CB 1.931 40.934 39.000 0.004 0.000 1.186 173 F HN 0.355 nan 8.300 nan 0.000 0.456 174 K N 0.113 120.606 120.400 0.156 0.000 2.139 174 K HA 0.808 5.128 4.320 0.001 0.000 0.243 174 K C 0.571 177.299 176.600 0.213 0.000 0.983 174 K CA -0.412 55.957 56.287 0.137 0.000 0.890 174 K CB 1.628 34.172 32.500 0.073 0.000 1.090 174 K HN 0.851 nan 8.250 nan 0.000 0.445 175 G N 0.595 109.497 108.800 0.171 0.000 2.157 175 G HA2 -0.206 3.755 3.960 0.001 0.000 0.248 175 G HA3 -0.206 3.755 3.960 0.001 0.000 0.248 175 G C -0.180 174.820 174.900 0.166 0.000 0.979 175 G CA 0.102 45.311 45.100 0.183 0.000 0.650 175 G HN 0.536 nan 8.290 nan 0.000 0.529 176 I N 1.101 121.759 120.570 0.148 0.000 2.328 176 I HA 0.302 4.472 4.170 0.001 0.000 0.287 176 I C 0.697 176.830 176.117 0.027 0.000 1.012 176 I CA -0.762 60.577 61.300 0.066 0.000 1.195 176 I CB 1.436 39.475 38.000 0.066 0.000 1.350 176 I HN 0.037 nan 8.210 nan 0.000 0.464 177 K N 5.754 126.151 120.400 -0.005 0.000 2.382 177 K HA 0.132 4.452 4.320 0.001 0.000 0.275 177 K C -0.005 176.579 176.600 -0.027 0.000 1.009 177 K CA -0.212 56.068 56.287 -0.012 0.000 0.970 177 K CB 0.701 33.185 32.500 -0.025 0.000 0.934 177 K HN 0.504 nan 8.250 nan 0.000 0.479 178 E N 1.299 121.493 120.200 -0.010 0.000 2.383 178 E HA 0.113 4.464 4.350 0.001 0.000 0.264 178 E C -0.235 176.342 176.600 -0.038 0.000 1.050 178 E CA -0.543 55.851 56.400 -0.009 0.000 0.896 178 E CB 1.029 30.747 29.700 0.030 0.000 0.982 178 E HN 0.644 nan 8.360 nan 0.000 0.424 179 A N 3.975 126.756 122.820 -0.066 0.000 2.366 179 A HA 0.112 4.433 4.320 0.001 0.000 0.250 179 A C -1.434 176.137 177.584 -0.021 0.000 1.099 179 A CA -0.954 50.998 52.037 -0.140 0.000 0.794 179 A CB -0.380 18.401 19.000 -0.364 0.000 1.056 179 A HN 0.481 nan 8.150 nan 0.000 0.499 180 P HA -0.104 nan 4.420 nan 0.000 0.216 180 P C -0.033 177.324 177.300 0.094 0.000 1.154 180 P CA 1.270 64.391 63.100 0.036 0.000 0.865 180 P CB -0.025 31.696 31.700 0.036 0.000 0.789 181 I N -1.418 119.271 120.570 0.198 0.000 2.377 181 I HA 0.254 4.424 4.170 0.001 0.000 0.293 181 I C 0.694 177.015 176.117 0.340 0.000 0.987 181 I CA -1.355 60.086 61.300 0.235 0.000 1.185 181 I CB 1.587 39.672 38.000 0.142 0.000 1.341 181 I HN -0.339 nan 8.210 nan 0.000 0.455 182 R N 5.364 126.075 120.500 0.352 0.000 2.507 182 R HA 0.412 4.752 4.340 0.001 0.000 0.341 182 R C -0.897 175.614 176.300 0.352 0.000 0.960 182 R CA 0.414 56.708 56.100 0.324 0.000 1.032 182 R CB -0.063 30.453 30.300 0.361 0.000 0.933 182 R HN 0.754 nan 8.270 nan 0.000 0.418 183 A N 3.272 126.250 122.820 0.262 0.000 2.612 183 A HA 0.448 4.768 4.320 0.001 0.000 0.293 183 A C -1.305 176.255 177.584 -0.039 0.000 1.075 183 A CA -0.821 51.363 52.037 0.246 0.000 0.680 183 A CB 1.436 20.704 19.000 0.446 0.000 1.279 183 A HN 0.402 nan 8.150 nan 0.000 0.411 184 V N 1.225 120.966 119.914 -0.290 0.000 2.715 184 V HA 0.436 4.556 4.120 0.001 0.000 0.299 184 V C 0.393 176.363 176.094 -0.205 0.000 1.054 184 V CA 0.394 62.434 62.300 -0.433 0.000 1.077 184 V CB 1.474 32.871 31.823 -0.711 0.000 0.972 184 V HN 0.891 nan 8.190 nan 0.000 0.484 185 T N 6.919 121.353 114.554 -0.200 0.000 2.779 185 T HA 0.536 4.886 4.350 0.001 0.000 0.280 185 T C -0.255 174.332 174.700 -0.189 0.000 0.987 185 T CA -0.314 61.703 62.100 -0.138 0.000 0.966 185 T CB 0.864 69.684 68.868 -0.080 0.000 0.933 185 T HN 0.492 nan 8.240 nan 0.000 0.442 186 M N 2.989 122.475 119.600 -0.189 0.000 2.047 186 M HA 0.380 4.861 4.480 0.001 0.000 0.342 186 M C 0.087 176.480 176.300 0.154 0.000 1.058 186 M CA -0.435 54.840 55.300 -0.042 0.000 0.991 186 M CB 1.383 33.982 32.600 -0.002 0.000 1.474 186 M HN 0.456 nan 8.290 nan 0.000 0.419 187 S N 3.814 119.624 115.700 0.183 0.000 2.454 187 S HA 0.666 5.137 4.470 0.001 0.000 0.306 187 S C -1.410 173.510 174.600 0.533 0.000 1.100 187 S CA -0.564 57.869 58.200 0.389 0.000 1.087 187 S CB 0.721 64.115 63.200 0.325 0.000 1.019 187 S HN 0.570 nan 8.310 nan 0.000 0.480 188 F N 4.298 124.481 119.950 0.389 0.000 2.477 188 F HA 0.555 5.082 4.527 0.000 0.000 0.335 188 F C -0.176 175.769 175.800 0.242 0.000 1.130 188 F CA -0.521 57.659 58.000 0.300 0.000 0.948 188 F CB 1.485 40.634 39.000 0.249 0.000 1.154 188 F HN 0.515 nan 8.300 nan 0.000 0.439 189 S N 7.989 123.485 115.700 -0.340 0.000 2.423 189 S HA 0.458 4.928 4.470 0.001 0.000 0.317 189 S C -2.623 171.456 174.600 -0.868 0.000 1.065 189 S CA -1.781 56.139 58.200 -0.467 0.000 1.111 189 S CB 0.456 63.518 63.200 -0.230 0.000 0.968 189 S HN 0.396 nan 8.310 nan 0.000 0.474 190 P HA 0.157 nan 4.420 nan 0.000 0.258 190 P C 0.849 177.971 177.300 -0.296 0.000 1.187 190 P CA 1.079 63.766 63.100 -0.688 0.000 0.767 190 P CB 0.162 31.709 31.700 -0.255 0.000 0.770 191 G N 2.506 111.170 108.800 -0.225 0.000 2.148 191 G HA2 -0.301 3.659 3.960 0.001 0.000 0.254 191 G HA3 -0.301 3.659 3.960 0.001 0.000 0.254 191 G C 0.593 175.112 174.900 -0.635 0.000 0.981 191 G CA 0.531 45.483 45.100 -0.247 0.000 0.670 191 G HN 0.640 nan 8.290 nan 0.000 0.528 192 H N -1.134 117.596 119.070 -0.567 0.000 2.573 192 H HA 0.503 5.059 4.556 -0.000 0.000 0.236 192 H C 1.260 176.221 175.328 -0.612 0.000 0.907 192 H CA 0.941 56.697 56.048 -0.488 0.000 1.058 192 H CB 1.393 30.937 29.762 -0.362 0.000 1.417 192 H HN 1.071 nan 8.280 nan 0.000 0.425 193 G N -0.107 108.383 108.800 -0.517 0.000 2.340 193 G HA2 0.350 4.311 3.960 0.001 0.000 0.298 193 G HA3 0.350 4.311 3.960 0.001 0.000 0.298 193 G C -1.790 173.275 174.900 0.276 0.000 1.498 193 G CA -0.968 44.091 45.100 -0.068 0.000 0.847 193 G HN 0.024 nan 8.290 nan 0.000 0.594 194 E N -0.494 119.915 120.200 0.348 0.000 2.207 194 E HA 0.717 5.068 4.350 0.001 0.000 0.270 194 E C -0.557 176.094 176.600 0.086 0.000 0.927 194 E CA -0.676 55.931 56.400 0.345 0.000 0.799 194 E CB 2.695 32.568 29.700 0.289 0.000 1.172 194 E HN 0.448 nan 8.360 nan 0.000 0.404 195 L N 3.499 124.674 121.223 -0.080 0.000 2.356 195 L HA 0.535 4.875 4.340 0.001 0.000 0.277 195 L C -1.497 175.285 176.870 -0.147 0.000 0.996 195 L CA -0.897 53.760 54.840 -0.305 0.000 0.822 195 L CB 0.936 42.497 42.059 -0.829 0.000 1.256 195 L HN 0.568 nan 8.230 nan 0.000 0.413 196 I N 4.281 124.773 120.570 -0.131 0.000 2.359 196 I HA 0.286 4.456 4.170 0.001 0.000 0.284 196 I C 0.072 176.094 176.117 -0.158 0.000 1.018 196 I CA -0.109 61.106 61.300 -0.142 0.000 1.173 196 I CB 1.537 39.461 38.000 -0.127 0.000 1.326 196 I HN 0.487 nan 8.210 nan 0.000 0.462 197 E N 7.414 127.506 120.200 -0.180 0.000 2.130 197 E HA 0.411 4.762 4.350 0.001 0.000 0.284 197 E C -1.108 175.361 176.600 -0.218 0.000 1.018 197 E CA -0.438 55.864 56.400 -0.163 0.000 0.817 197 E CB 0.889 30.500 29.700 -0.150 0.000 1.078 197 E HN 0.465 nan 8.360 nan 0.000 0.396 198 I N 5.738 126.192 120.570 -0.194 0.000 2.406 198 I HA 0.306 4.476 4.170 0.001 0.000 0.290 198 I C -2.381 173.626 176.117 -0.183 0.000 0.999 198 I CA -2.793 58.345 61.300 -0.271 0.000 1.124 198 I CB 1.423 39.290 38.000 -0.221 0.000 1.289 198 I HN 0.303 nan 8.210 nan 0.000 0.441 199 P HA 0.134 nan 4.420 nan 0.000 0.271 199 P C -0.358 176.919 177.300 -0.038 0.000 1.233 199 P CA 0.214 63.269 63.100 -0.075 0.000 0.764 199 P CB 0.410 32.093 31.700 -0.029 0.000 0.825 200 T N 1.249 115.777 114.554 -0.044 0.000 2.881 200 T HA 0.478 4.828 4.350 0.001 0.000 0.290 200 T C -0.616 174.024 174.700 -0.099 0.000 1.000 200 T CA -1.034 61.017 62.100 -0.081 0.000 0.978 200 T CB 0.798 69.595 68.868 -0.118 0.000 0.997 200 T HN 0.097 nan 8.240 nan 0.000 0.443 201 L N 3.161 124.288 121.223 -0.159 0.000 2.361 201 L HA 0.677 5.017 4.340 0.001 0.000 0.278 201 L C 0.277 176.940 176.870 -0.344 0.000 1.113 201 L CA 0.776 55.480 54.840 -0.226 0.000 0.849 201 L CB 0.705 42.532 42.059 -0.385 0.000 1.155 201 L HN 0.952 nan 8.230 nan 0.000 0.452 202 S N 2.877 118.410 115.700 -0.278 0.000 2.900 202 S HA 0.467 4.937 4.470 0.001 0.000 0.320 202 S C 1.010 175.429 174.600 -0.301 0.000 1.130 202 S CA -0.553 57.407 58.200 -0.401 0.000 0.863 202 S CB 0.468 63.496 63.200 -0.288 0.000 1.295 202 S HN 0.497 nan 8.310 nan 0.000 0.596 203 F N 1.967 121.880 119.950 -0.062 0.000 2.120 203 F HA -0.042 4.486 4.527 0.000 0.000 0.300 203 F C 1.962 177.756 175.800 -0.010 0.000 1.095 203 F CA 1.182 59.163 58.000 -0.031 0.000 1.249 203 F CB -0.379 38.605 39.000 -0.026 0.000 0.995 203 F HN 0.402 nan 8.300 nan 0.000 0.480 204 N N -0.002 118.798 118.700 0.166 0.000 2.313 204 N HA 0.273 5.013 4.740 0.001 0.000 0.207 204 N C 0.994 176.551 175.510 0.078 0.000 1.141 204 N CA 0.939 54.053 53.050 0.108 0.000 0.830 204 N CB 0.357 38.897 38.487 0.088 0.000 1.008 204 N HN 0.404 nan 8.380 nan 0.000 0.481 205 G N 0.740 109.576 108.800 0.060 0.000 2.451 205 G HA2 -0.219 3.741 3.960 0.001 0.000 0.208 205 G HA3 -0.219 3.741 3.960 0.001 0.000 0.208 205 G C -0.555 174.370 174.900 0.042 0.000 1.248 205 G CA -0.778 44.366 45.100 0.074 0.000 0.989 205 G HN 0.015 nan 8.290 nan 0.000 0.559 206 M N 1.903 121.547 119.600 0.075 0.000 2.268 206 M HA 0.462 4.943 4.480 0.001 0.000 0.349 206 M C 0.990 177.309 176.300 0.032 0.000 1.485 206 M CA 0.347 55.680 55.300 0.055 0.000 1.094 206 M CB -0.097 32.549 32.600 0.076 0.000 1.843 206 M HN 1.194 nan 8.290 nan 0.000 0.460 207 S N 1.977 117.681 115.700 0.006 0.000 2.810 207 S HA 0.870 5.340 4.470 0.001 0.000 0.315 207 S C -0.261 174.349 174.600 0.016 0.000 1.138 207 S CA -0.762 57.447 58.200 0.016 0.000 0.889 207 S CB 1.993 65.188 63.200 -0.007 0.000 1.236 207 S HN 0.664 nan 8.310 nan 0.000 0.548 208 T N -1.704 112.882 114.554 0.053 0.000 2.840 208 T HA 0.764 5.115 4.350 0.001 0.000 0.287 208 T C -0.262 174.497 174.700 0.097 0.000 0.991 208 T CA -0.588 61.543 62.100 0.052 0.000 0.964 208 T CB 0.903 69.809 68.868 0.063 0.000 0.954 208 T HN 1.146 nan 8.240 nan 0.000 0.438 209 A N 4.459 127.295 122.820 0.026 0.000 2.363 209 A HA 0.694 5.015 4.320 0.001 0.000 0.270 209 A C 0.031 177.656 177.584 0.068 0.000 1.121 209 A CA -0.776 51.288 52.037 0.045 0.000 0.800 209 A CB 0.086 19.060 19.000 -0.043 0.000 1.052 209 A HN 0.946 nan 8.150 nan 0.000 0.493 210 L N 3.661 124.987 121.223 0.172 0.000 2.318 210 L HA 0.320 4.661 4.340 0.001 0.000 0.277 210 L C -0.810 176.098 176.870 0.062 0.000 1.008 210 L CA -0.672 54.218 54.840 0.083 0.000 0.846 210 L CB 1.587 43.680 42.059 0.058 0.000 1.220 210 L HN 0.424 nan 8.230 nan 0.000 0.423 211 V N 5.462 125.364 119.914 -0.019 0.000 2.304 211 V HA 0.228 4.348 4.120 0.001 0.000 0.262 211 V C 0.306 176.377 176.094 -0.039 0.000 1.061 211 V CA -0.216 62.070 62.300 -0.023 0.000 0.872 211 V CB 0.875 32.668 31.823 -0.049 0.000 1.077 211 V HN 0.529 nan 8.190 nan 0.000 0.480 212 L N 5.206 126.423 121.223 -0.010 0.000 2.268 212 L HA 0.386 4.726 4.340 0.001 0.000 0.289 212 L C 0.629 177.511 176.870 0.019 0.000 1.064 212 L CA 0.104 54.934 54.840 -0.016 0.000 0.824 212 L CB 0.530 42.593 42.059 0.007 0.000 1.202 212 L HN 0.565 nan 8.230 nan 0.000 0.433 213 E N 4.107 124.329 120.200 0.036 0.000 2.042 213 E HA 0.204 4.554 4.350 0.001 0.000 0.260 213 E C -0.848 175.836 176.600 0.140 0.000 0.975 213 E CA -0.421 56.020 56.400 0.067 0.000 0.799 213 E CB 0.537 30.273 29.700 0.061 0.000 1.131 213 E HN 0.492 nan 8.360 nan 0.000 0.423 214 N N 2.361 121.130 118.700 0.114 0.000 2.455 214 N HA 0.142 4.882 4.740 0.001 0.000 0.280 214 N C -0.061 175.571 175.510 0.204 0.000 1.055 214 N CA -0.258 52.876 53.050 0.140 0.000 0.961 214 N CB 1.025 39.558 38.487 0.077 0.000 1.121 214 N HN 0.386 nan 8.380 nan 0.000 0.476 215 H N 1.166 120.251 119.070 0.025 0.000 2.815 215 H HA 0.135 4.691 4.556 0.000 0.000 0.350 215 H C 0.473 175.802 175.328 0.002 0.000 1.080 215 H CA -0.190 55.860 56.048 0.003 0.000 1.433 215 H CB 1.244 31.001 29.762 -0.009 0.000 1.432 215 H HN 0.329 nan 8.280 nan 0.000 0.592 216 I N 2.024 122.639 120.570 0.075 0.000 2.517 216 I HA -0.020 4.150 4.170 0.001 0.000 0.285 216 I C 1.226 177.371 176.117 0.047 0.000 1.106 216 I CA 0.873 62.203 61.300 0.051 0.000 1.402 216 I CB 0.695 38.700 38.000 0.008 0.000 1.399 216 I HN 1.014 nan 8.210 nan 0.000 0.535 217 G N 3.680 112.511 108.800 0.052 0.000 2.141 217 G HA2 -0.246 3.715 3.960 0.001 0.000 0.231 217 G HA3 -0.246 3.715 3.960 0.001 0.000 0.231 217 G C 0.212 175.141 174.900 0.049 0.000 0.984 217 G CA 0.213 45.335 45.100 0.037 0.000 0.660 217 G HN 0.763 nan 8.290 nan 0.000 0.525 218 S N -1.256 114.489 115.700 0.075 0.000 2.718 218 S HA 0.623 5.094 4.470 0.001 0.000 0.292 218 S C 0.642 175.328 174.600 0.144 0.000 1.125 218 S CA 0.430 58.701 58.200 0.117 0.000 1.013 218 S CB 1.778 65.040 63.200 0.103 0.000 1.192 218 S HN 0.070 nan 8.310 nan 0.000 0.535 219 D N -0.857 119.688 120.400 0.242 0.000 2.363 219 D HA 0.183 4.823 4.640 0.001 0.000 0.226 219 D C 0.976 177.232 176.300 -0.073 0.000 1.020 219 D CA 0.539 54.575 54.000 0.060 0.000 0.892 219 D CB -0.312 40.500 40.800 0.019 0.000 0.900 219 D HN 0.512 nan 8.370 nan 0.000 0.531 220 L N -0.700 120.468 121.223 -0.091 0.000 2.781 220 L HA 0.244 4.584 4.340 0.001 0.000 0.245 220 L C 1.937 178.812 176.870 0.007 0.000 1.118 220 L CA -0.053 54.720 54.840 -0.113 0.000 0.918 220 L CB 0.214 42.149 42.059 -0.206 0.000 1.246 220 L HN -0.030 nan 8.230 nan 0.000 0.526 221 E N 0.554 120.789 120.200 0.058 0.000 2.160 221 E HA -0.235 4.116 4.350 0.001 0.000 0.195 221 E C 2.159 178.873 176.600 0.190 0.000 0.991 221 E CA 1.182 57.656 56.400 0.124 0.000 0.810 221 E CB 0.220 30.001 29.700 0.134 0.000 0.742 221 E HN 0.265 nan 8.360 nan 0.000 0.466 222 V N 0.873 120.867 119.914 0.134 0.000 2.594 222 V HA -0.220 3.901 4.120 0.001 0.000 0.253 222 V C 2.041 178.225 176.094 0.149 0.000 1.069 222 V CA 1.330 63.720 62.300 0.150 0.000 1.082 222 V CB -0.235 31.634 31.823 0.076 0.000 0.680 222 V HN 0.328 nan 8.190 nan 0.000 0.469 223 L N 0.030 121.307 121.223 0.090 0.000 2.275 223 L HA -0.034 4.306 4.340 0.001 0.000 0.215 223 L C 2.465 179.426 176.870 0.151 0.000 1.119 223 L CA 1.268 56.156 54.840 0.079 0.000 0.790 223 L CB -0.595 41.473 42.059 0.015 0.000 0.919 223 L HN 0.426 nan 8.230 nan 0.000 0.443 224 A N -1.632 121.235 122.820 0.078 0.000 2.218 224 A HA -0.046 4.274 4.320 0.001 0.000 0.209 224 A C 1.493 178.940 177.584 -0.228 0.000 1.168 224 A CA 0.615 52.611 52.037 -0.069 0.000 0.804 224 A CB -0.446 18.451 19.000 -0.171 0.000 0.834 224 A HN 0.454 nan 8.150 nan 0.000 0.482 225 H N -1.092 118.047 119.070 0.115 0.000 3.017 225 H HA 0.107 4.665 4.556 0.004 0.000 0.255 225 H C 0.458 175.857 175.328 0.119 0.000 0.990 225 H CA 0.734 56.839 56.048 0.095 0.000 1.205 225 H CB 0.564 30.365 29.762 0.066 0.000 1.460 225 H HN 0.392 nan 8.280 nan 0.000 0.478 226 T N 0.092 114.810 114.554 0.273 0.000 2.761 226 T HA 0.317 4.667 4.350 0.001 0.000 0.296 226 T C 0.050 174.936 174.700 0.311 0.000 0.934 226 T CA -0.889 61.375 62.100 0.274 0.000 1.091 226 T CB 1.519 70.555 68.868 0.281 0.000 0.896 226 T HN -0.078 nan 8.240 nan 0.000 0.515 227 K N 2.375 122.881 120.400 0.177 0.000 2.234 227 K HA 0.250 4.570 4.320 0.001 0.000 0.282 227 K C 0.480 177.079 176.600 -0.001 0.000 1.039 227 K CA -0.781 55.543 56.287 0.062 0.000 0.928 227 K CB 0.525 33.046 32.500 0.036 0.000 1.039 227 K HN 0.690 nan 8.250 nan 0.000 0.470 228 Y N 2.592 122.659 120.300 -0.388 0.000 2.207 228 Y HA -0.274 4.276 4.550 0.000 0.000 0.287 228 Y C 0.922 176.712 175.900 -0.183 0.000 1.156 228 Y CA 1.932 59.747 58.100 -0.476 0.000 1.182 228 Y CB 0.293 38.311 38.460 -0.737 0.000 0.979 228 Y HN 0.697 nan 8.280 nan 0.000 0.521 229 D N -0.085 120.294 120.400 -0.036 0.000 2.269 229 D HA -0.135 4.506 4.640 0.001 0.000 0.208 229 D C 1.512 177.761 176.300 -0.085 0.000 0.963 229 D CA 1.191 55.160 54.000 -0.052 0.000 0.864 229 D CB -0.250 40.556 40.800 0.010 0.000 0.936 229 D HN 0.476 nan 8.370 nan 0.000 0.505 230 D N 0.117 120.480 120.400 -0.062 0.000 2.144 230 D HA -0.065 4.575 4.640 0.001 0.000 0.200 230 D C 0.192 176.456 176.300 -0.059 0.000 0.978 230 D CA 1.140 55.118 54.000 -0.038 0.000 0.833 230 D CB 0.271 41.072 40.800 0.001 0.000 0.961 230 D HN 0.104 nan 8.370 nan 0.000 0.470 231 D N -2.185 118.156 120.400 -0.099 0.000 2.266 231 D HA 0.089 4.729 4.640 0.001 0.000 0.218 231 D C -2.252 173.941 176.300 -0.179 0.000 1.311 231 D CA -1.116 52.821 54.000 -0.105 0.000 0.918 231 D CB 1.465 42.247 40.800 -0.029 0.000 1.530 231 D HN -0.240 nan 8.370 nan 0.000 0.514 232 P HA -0.108 nan 4.420 nan 0.000 0.215 232 P C 1.394 178.613 177.300 -0.135 0.000 1.153 232 P CA 0.898 63.633 63.100 -0.608 0.000 0.853 232 P CB 0.455 31.747 31.700 -0.679 0.000 0.788 233 R N 0.344 120.806 120.500 -0.063 0.000 2.081 233 R HA -0.064 4.277 4.340 0.001 0.000 0.235 233 R C 2.105 178.443 176.300 0.062 0.000 1.131 233 R CA 1.979 58.093 56.100 0.024 0.000 0.960 233 R CB -1.498 28.807 30.300 0.009 0.000 0.856 233 R HN 0.059 nan 8.270 nan 0.000 0.436 234 A N -0.557 122.294 122.820 0.050 0.000 1.930 234 A HA -0.128 4.192 4.320 0.001 0.000 0.217 234 A C 2.166 179.818 177.584 0.114 0.000 1.175 234 A CA 1.370 53.447 52.037 0.066 0.000 0.627 234 A CB -0.831 18.201 19.000 0.053 0.000 0.815 234 A HN 0.493 nan 8.150 nan 0.000 0.443 235 F N 0.487 120.450 119.950 0.022 0.000 2.102 235 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 235 F C 1.880 177.773 175.800 0.155 0.000 1.105 235 F CA 1.760 59.817 58.000 0.094 0.000 1.239 235 F CB -0.185 38.893 39.000 0.129 0.000 0.991 235 F HN 0.134 nan 8.300 nan 0.000 0.474 236 L N -0.188 121.218 121.223 0.305 0.000 2.093 236 L HA -0.182 4.158 4.340 0.001 0.000 0.208 236 L C 2.050 179.026 176.870 0.177 0.000 1.085 236 L CA 1.200 56.219 54.840 0.298 0.000 0.755 236 L CB -0.777 41.484 42.059 0.338 0.000 0.904 236 L HN 0.054 nan 8.230 nan 0.000 0.435 237 D N 0.015 120.475 120.400 0.100 0.000 2.117 237 D HA -0.179 4.461 4.640 0.001 0.000 0.197 237 D C 2.049 178.338 176.300 -0.018 0.000 0.987 237 D CA 1.017 55.042 54.000 0.040 0.000 0.829 237 D CB -0.131 40.688 40.800 0.031 0.000 0.961 237 D HN 0.100 nan 8.370 nan 0.000 0.460 238 L N 0.145 121.337 121.223 -0.052 0.000 2.046 238 L HA -0.126 4.214 4.340 0.001 0.000 0.208 238 L C 2.106 178.889 176.870 -0.146 0.000 1.077 238 L CA 1.452 56.232 54.840 -0.100 0.000 0.747 238 L CB -0.364 41.622 42.059 -0.123 0.000 0.896 238 L HN -0.026 nan 8.230 nan 0.000 0.432 239 M N -1.050 118.422 119.600 -0.213 0.000 2.080 239 M HA -0.228 4.253 4.480 0.001 0.000 0.260 239 M C 2.364 178.580 176.300 -0.139 0.000 1.068 239 M CA 1.877 57.066 55.300 -0.184 0.000 1.109 239 M CB -0.949 31.581 32.600 -0.117 0.000 1.342 239 M HN 0.323 nan 8.290 nan 0.000 0.405 240 L N -0.557 120.597 121.223 -0.114 0.000 2.083 240 L HA -0.224 4.116 4.340 0.001 0.000 0.209 240 L C 2.493 179.275 176.870 -0.147 0.000 1.083 240 L CA 1.274 55.997 54.840 -0.194 0.000 0.752 240 L CB -0.604 41.371 42.059 -0.140 0.000 0.899 240 L HN 0.409 nan 8.230 nan 0.000 0.433 241 E N 0.198 120.337 120.200 -0.101 0.000 2.047 241 E HA -0.208 4.142 4.350 0.001 0.000 0.191 241 E C 2.062 178.616 176.600 -0.076 0.000 0.987 241 E CA 0.937 57.286 56.400 -0.085 0.000 0.799 241 E CB 0.250 29.912 29.700 -0.063 0.000 0.752 241 E HN 0.263 nan 8.360 nan 0.000 0.449 242 K N 0.500 120.868 120.400 -0.055 0.000 2.097 242 K HA -0.073 4.247 4.320 0.001 0.000 0.205 242 K C 2.317 178.938 176.600 0.035 0.000 1.050 242 K CA 0.670 56.969 56.287 0.020 0.000 0.938 242 K CB -0.345 32.151 32.500 -0.006 0.000 0.718 242 K HN 0.273 nan 8.250 nan 0.000 0.442 243 L N 0.056 121.255 121.223 -0.039 0.000 2.093 243 L HA -0.068 4.272 4.340 0.001 0.000 0.208 243 L C 2.497 179.303 176.870 -0.106 0.000 1.085 243 L CA 1.299 56.117 54.840 -0.037 0.000 0.755 243 L CB -0.874 41.093 42.059 -0.153 0.000 0.904 243 L HN 0.245 nan 8.230 nan 0.000 0.435 244 G N 0.293 109.006 108.800 -0.145 0.000 2.442 244 G HA2 -0.327 3.633 3.960 0.001 0.000 0.219 244 G HA3 -0.327 3.633 3.960 0.001 0.000 0.219 244 G C 1.668 176.462 174.900 -0.177 0.000 1.141 244 G CA 1.170 46.173 45.100 -0.161 0.000 0.763 244 G HN 0.280 nan 8.290 nan 0.000 0.554 245 K N -0.571 119.712 120.400 -0.195 0.000 2.005 245 K HA -0.011 4.309 4.320 0.001 0.000 0.206 245 K C 2.262 178.600 176.600 -0.437 0.000 1.044 245 K CA 1.145 57.235 56.287 -0.328 0.000 0.942 245 K CB -0.249 32.008 32.500 -0.405 0.000 0.727 245 K HN 0.365 nan 8.250 nan 0.000 0.439 246 H N -1.597 117.291 119.070 -0.304 0.000 2.486 246 H HA 0.100 4.656 4.556 0.000 0.000 0.287 246 H C 0.290 175.213 175.328 -0.675 0.000 1.010 246 H CA 0.841 56.582 56.048 -0.511 0.000 1.324 246 H CB 0.395 29.771 29.762 -0.642 0.000 1.446 246 H HN 0.329 nan 8.280 nan 0.000 0.537 247 H N 0.452 119.487 119.070 -0.060 0.000 2.379 247 H HA 0.139 4.695 4.556 0.000 0.000 0.229 247 H C -1.821 173.298 175.328 -0.347 0.000 1.423 247 H CA -1.519 54.416 56.048 -0.189 0.000 1.375 247 H CB 1.066 30.757 29.762 -0.118 0.000 1.592 247 H HN 0.175 nan 8.280 nan 0.000 0.507 248 P HA -0.167 nan 4.420 nan 0.000 0.221 248 P C 1.685 178.762 177.300 -0.372 0.000 1.150 248 P CA 1.130 64.029 63.100 -0.335 0.000 0.800 248 P CB 0.460 31.996 31.700 -0.274 0.000 0.787 249 S N -0.745 114.610 115.700 -0.575 0.000 2.423 249 S HA -0.070 4.400 4.470 0.001 0.000 0.231 249 S C 1.933 176.364 174.600 -0.281 0.000 1.014 249 S CA 1.155 59.117 58.200 -0.398 0.000 0.965 249 S CB -1.517 61.440 63.200 -0.404 0.000 0.785 249 S HN -0.006 nan 8.310 nan 0.000 0.495 250 V N 1.927 121.682 119.914 -0.265 0.000 2.500 250 V HA 0.155 4.276 4.120 0.001 0.000 0.243 250 V C 3.114 179.072 176.094 -0.226 0.000 1.039 250 V CA 1.157 63.327 62.300 -0.217 0.000 1.053 250 V CB -1.307 30.400 31.823 -0.193 0.000 0.695 250 V HN 0.618 nan 8.190 nan 0.000 0.463 251 A N -0.050 122.628 122.820 -0.236 0.000 1.972 251 A HA -0.246 4.074 4.320 0.001 0.000 0.219 251 A C 2.100 179.550 177.584 -0.224 0.000 1.169 251 A CA 1.854 53.737 52.037 -0.256 0.000 0.635 251 A CB -0.479 18.382 19.000 -0.232 0.000 0.810 251 A HN 0.611 nan 8.150 nan 0.000 0.446 252 E N -0.685 119.397 120.200 -0.196 0.000 2.265 252 E HA -0.134 4.216 4.350 0.001 0.000 0.196 252 E C 1.781 178.297 176.600 -0.141 0.000 0.996 252 E CA 0.781 57.087 56.400 -0.157 0.000 0.832 252 E CB -0.074 29.539 29.700 -0.145 0.000 0.756 252 E HN 0.524 nan 8.360 nan 0.000 0.491 253 R N 0.125 120.532 120.500 -0.154 0.000 2.334 253 R HA 0.211 4.552 4.340 0.001 0.000 0.216 253 R C 0.108 176.340 176.300 -0.115 0.000 0.905 253 R CA -0.082 55.943 56.100 -0.124 0.000 1.064 253 R CB 0.403 30.627 30.300 -0.126 0.000 1.046 253 R HN 0.090 nan 8.270 nan 0.000 0.508 254 I N 1.355 121.827 120.570 -0.163 0.000 2.342 254 I HA 0.034 4.204 4.170 0.001 0.000 0.291 254 I C -0.075 175.973 176.117 -0.114 0.000 1.010 254 I CA -0.532 60.658 61.300 -0.183 0.000 1.308 254 I CB 1.015 38.763 38.000 -0.420 0.000 1.400 254 I HN -0.154 nan 8.210 nan 0.000 0.488 255 D N 9.605 129.990 120.400 -0.027 0.000 2.380 255 D HA 0.178 4.818 4.640 0.001 0.000 0.230 255 D C -1.466 174.869 176.300 0.059 0.000 1.154 255 D CA -2.365 51.642 54.000 0.012 0.000 0.859 255 D CB 1.376 42.200 40.800 0.040 0.000 1.045 255 D HN 0.231 nan 8.370 nan 0.000 0.495 256 P HA -0.103 nan 4.420 nan 0.000 0.222 256 P C 0.938 178.310 177.300 0.122 0.000 1.147 256 P CA 0.604 63.744 63.100 0.067 0.000 0.790 256 P CB 0.285 31.989 31.700 0.006 0.000 0.780 257 A N 0.296 123.168 122.820 0.086 0.000 1.968 257 A HA -0.137 4.183 4.320 0.001 0.000 0.217 257 A C 2.244 179.889 177.584 0.103 0.000 1.169 257 A CA 1.308 53.394 52.037 0.081 0.000 0.638 257 A CB -0.949 18.082 19.000 0.052 0.000 0.812 257 A HN 0.194 nan 8.150 nan 0.000 0.446 258 E N -1.918 118.357 120.200 0.125 0.000 2.389 258 E HA 0.080 4.430 4.350 0.001 0.000 0.199 258 E C -0.399 176.313 176.600 0.186 0.000 0.978 258 E CA -0.612 55.865 56.400 0.129 0.000 0.912 258 E CB 0.086 29.850 29.700 0.107 0.000 0.907 258 E HN 0.400 nan 8.360 nan 0.000 0.494 259 F N 2.363 122.357 119.950 0.075 0.000 2.519 259 F HA 0.020 4.547 4.527 0.000 0.000 0.381 259 F C -0.057 175.857 175.800 0.190 0.000 1.076 259 F CA 0.579 58.646 58.000 0.111 0.000 1.095 259 F CB 0.135 39.167 39.000 0.053 0.000 1.046 259 F HN -0.090 nan 8.300 nan 0.000 0.559 260 D N 4.176 124.441 120.400 -0.226 0.000 2.692 260 D HA 0.319 4.959 4.640 0.001 0.000 0.303 260 D C -1.097 175.110 176.300 -0.155 0.000 1.278 260 D CA -0.557 53.356 54.000 -0.145 0.000 0.852 260 D CB 1.342 42.146 40.800 0.007 0.000 1.375 260 D HN 0.371 nan 8.370 nan 0.000 0.453 261 L N 1.342 122.398 121.223 -0.279 0.000 2.485 261 L HA 0.301 4.641 4.340 0.001 0.000 0.275 261 L C 1.780 178.483 176.870 -0.278 0.000 1.207 261 L CA -0.024 54.495 54.840 -0.534 0.000 0.855 261 L CB 0.652 42.296 42.059 -0.692 0.000 1.114 261 L HN 0.606 nan 8.230 nan 0.000 0.485 262 A N 2.963 125.626 122.820 -0.260 0.000 1.908 262 A HA -0.183 4.137 4.320 0.001 0.000 0.218 262 A C 1.861 179.416 177.584 -0.048 0.000 1.181 262 A CA 2.215 54.192 52.037 -0.100 0.000 0.627 262 A CB -0.380 18.575 19.000 -0.076 0.000 0.818 262 A HN 0.983 nan 8.150 nan 0.000 0.445 263 N N -2.421 116.243 118.700 -0.061 0.000 2.663 263 N HA 0.027 4.767 4.740 0.001 0.000 0.250 263 N C 0.221 175.683 175.510 -0.080 0.000 1.043 263 N CA 1.029 54.063 53.050 -0.026 0.000 0.929 263 N CB 0.806 39.334 38.487 0.068 0.000 1.665 263 N HN 0.543 nan 8.380 nan 0.000 0.484 264 S N -0.805 114.819 115.700 -0.126 0.000 2.672 264 S HA 0.201 4.672 4.470 0.001 0.000 0.271 264 S C 0.608 175.072 174.600 -0.227 0.000 1.171 264 S CA 0.021 58.139 58.200 -0.137 0.000 0.817 264 S CB 0.877 64.006 63.200 -0.118 0.000 1.150 264 S HN 0.176 nan 8.310 nan 0.000 0.478 265 S N 0.155 115.747 115.700 -0.179 0.000 2.500 265 S HA 0.036 4.506 4.470 0.001 0.000 0.239 265 S C 1.383 175.833 174.600 -0.251 0.000 0.989 265 S CA 0.649 58.699 58.200 -0.251 0.000 0.951 265 S CB -0.944 62.252 63.200 -0.007 0.000 0.759 265 S HN 0.620 nan 8.310 nan 0.000 0.523 266 L N 0.896 122.009 121.223 -0.182 0.000 2.599 266 L HA 0.165 4.505 4.340 0.001 0.000 0.230 266 L C 0.558 177.334 176.870 -0.156 0.000 1.141 266 L CA 0.276 55.032 54.840 -0.141 0.000 0.877 266 L CB -0.291 41.714 42.059 -0.091 0.000 1.009 266 L HN 0.154 nan 8.230 nan 0.000 0.447 267 D N 0.779 121.038 120.400 -0.235 0.000 2.519 267 D HA 0.250 4.890 4.640 0.001 0.000 0.238 267 D C -0.017 176.079 176.300 -0.341 0.000 1.192 267 D CA 0.497 54.344 54.000 -0.255 0.000 0.835 267 D CB 0.442 41.065 40.800 -0.294 0.000 0.975 267 D HN 0.194 nan 8.370 nan 0.000 0.490 268 I N 0.264 120.661 120.570 -0.288 0.000 2.656 268 I HA 0.337 4.507 4.170 0.001 0.000 0.292 268 I C -1.861 174.166 176.117 -0.151 0.000 1.144 268 I CA -0.852 60.294 61.300 -0.255 0.000 1.038 268 I CB 2.204 39.984 38.000 -0.366 0.000 1.244 268 I HN -0.238 nan 8.210 nan 0.000 0.420 269 L N 7.092 128.258 121.223 -0.094 0.000 2.385 269 L HA 0.573 4.913 4.340 0.001 0.000 0.273 269 L C -1.362 175.486 176.870 -0.036 0.000 0.990 269 L CA -0.282 54.521 54.840 -0.063 0.000 0.821 269 L CB 1.862 43.889 42.059 -0.054 0.000 1.279 269 L HN 0.645 nan 8.230 nan 0.000 0.412 270 Q N 2.898 122.674 119.800 -0.039 0.000 2.375 270 Q HA 0.803 5.143 4.340 0.001 0.000 0.271 270 Q C -0.344 175.620 176.000 -0.059 0.000 1.074 270 Q CA -0.349 55.430 55.803 -0.040 0.000 0.808 270 Q CB 2.736 31.452 28.738 -0.036 0.000 1.327 270 Q HN 0.879 nan 8.270 nan 0.000 0.441 271 G N 0.407 109.162 108.800 -0.076 0.000 2.553 271 G HA2 0.448 4.408 3.960 0.001 0.000 0.106 271 G HA3 0.448 4.408 3.960 0.001 0.000 0.106 271 G C -1.171 173.694 174.900 -0.058 0.000 1.126 271 G CA -0.132 44.925 45.100 -0.071 0.000 1.075 271 G HN 0.872 nan 8.290 nan 0.000 0.472 272 G N -1.633 107.144 108.800 -0.038 0.000 2.673 272 G HA2 0.665 4.625 3.960 0.001 0.000 0.292 272 G HA3 0.665 4.625 3.960 0.001 0.000 0.292 272 G C -1.927 172.958 174.900 -0.025 0.000 1.450 272 G CA 0.098 45.179 45.100 -0.032 0.000 0.837 272 G HN 1.327 nan 8.290 nan 0.000 0.505 273 V N 0.759 120.657 119.914 -0.027 0.000 2.448 273 V HA 0.472 4.593 4.120 0.001 0.000 0.295 273 V C -0.069 176.021 176.094 -0.008 0.000 1.025 273 V CA -0.716 61.574 62.300 -0.016 0.000 0.859 273 V CB 1.725 33.537 31.823 -0.018 0.000 0.988 273 V HN 0.619 nan 8.190 nan 0.000 0.431 274 V N 7.598 127.518 119.914 0.011 0.000 2.368 274 V HA 0.290 4.410 4.120 0.001 0.000 0.266 274 V C -2.170 173.960 176.094 0.061 0.000 1.045 274 V CA -1.678 60.643 62.300 0.036 0.000 0.899 274 V CB 1.053 32.898 31.823 0.038 0.000 1.006 274 V HN 0.754 nan 8.190 nan 0.000 0.470 275 P HA 0.502 nan 4.420 nan 0.000 0.271 275 P C -0.552 176.819 177.300 0.118 0.000 1.216 275 P CA 0.128 63.305 63.100 0.130 0.000 0.771 275 P CB 0.936 32.779 31.700 0.239 0.000 0.864 276 A N 2.744 125.622 122.820 0.096 0.000 2.574 276 A HA 0.701 5.022 4.320 0.001 0.000 0.297 276 A C -1.962 175.703 177.584 0.134 0.000 1.062 276 A CA -0.436 51.657 52.037 0.092 0.000 0.686 276 A CB 1.016 20.048 19.000 0.053 0.000 1.285 276 A HN 0.413 nan 8.150 nan 0.000 0.403 277 F N 1.724 121.658 119.950 -0.027 0.000 2.536 277 F HA 0.709 5.236 4.527 0.000 0.000 0.322 277 F C 0.185 175.973 175.800 -0.020 0.000 1.144 277 F CA -0.176 57.804 58.000 -0.033 0.000 0.924 277 F CB 1.541 40.510 39.000 -0.051 0.000 1.181 277 F HN 0.705 nan 8.300 nan 0.000 0.438 278 R N 2.584 122.891 120.500 -0.321 0.000 2.919 278 R HA 0.367 4.707 4.340 0.001 0.000 0.260 278 R C -1.186 174.994 176.300 -0.200 0.000 1.067 278 R CA -1.326 54.684 56.100 -0.151 0.000 1.003 278 R CB 1.045 31.288 30.300 -0.096 0.000 1.192 278 R HN 0.482 nan 8.270 nan 0.000 0.488 279 D N 0.413 120.793 120.400 -0.034 0.000 2.472 279 D HA -0.001 4.639 4.640 0.001 0.000 0.237 279 D C 1.082 177.374 176.300 -0.014 0.000 1.141 279 D CA 0.573 54.573 54.000 0.000 0.000 0.875 279 D CB 0.815 41.589 40.800 -0.043 0.000 1.192 279 D HN 0.799 nan 8.370 nan 0.000 0.450 280 G N 1.081 109.903 108.800 0.037 0.000 2.920 280 G HA2 -0.047 3.913 3.960 0.001 0.000 0.208 280 G HA3 -0.047 3.913 3.960 0.001 0.000 0.208 280 G C 0.440 175.464 174.900 0.207 0.000 1.159 280 G CA 0.315 45.418 45.100 0.005 0.000 0.784 280 G HN 0.663 nan 8.290 nan 0.000 0.535 281 H N -2.085 117.128 119.070 0.237 0.000 2.985 281 H HA 0.758 5.315 4.556 0.001 0.000 0.360 281 H C -1.424 174.067 175.328 0.271 0.000 1.221 281 H CA -0.750 55.486 56.048 0.312 0.000 1.121 281 H CB 1.542 31.401 29.762 0.161 0.000 1.854 281 H HN 0.114 nan 8.280 nan 0.000 0.551 282 A N 1.162 124.002 122.820 0.034 0.000 2.520 282 A HA 0.533 4.853 4.320 0.001 0.000 0.298 282 A C -1.017 176.523 177.584 -0.072 0.000 1.051 282 A CA -0.696 51.187 52.037 -0.257 0.000 0.690 282 A CB 1.624 20.186 19.000 -0.730 0.000 1.281 282 A HN 0.686 nan 8.150 nan 0.000 0.402 283 T N 3.087 117.606 114.554 -0.058 0.000 2.749 283 T HA 0.537 4.888 4.350 0.001 0.000 0.287 283 T C 0.241 174.909 174.700 -0.054 0.000 0.970 283 T CA -0.143 61.954 62.100 -0.005 0.000 0.980 283 T CB 0.246 69.138 68.868 0.040 0.000 0.924 283 T HN 0.466 nan 8.240 nan 0.000 0.456 284 L N 2.658 123.854 121.223 -0.045 0.000 2.479 284 L HA 0.355 4.696 4.340 0.001 0.000 0.249 284 L C 1.619 178.471 176.870 -0.031 0.000 1.178 284 L CA -1.040 53.768 54.840 -0.053 0.000 0.811 284 L CB 0.339 42.369 42.059 -0.049 0.000 1.187 284 L HN 0.490 nan 8.230 nan 0.000 0.480 285 N N 1.159 119.840 118.700 -0.031 0.000 2.364 285 N HA -0.150 4.590 4.740 0.001 0.000 0.183 285 N C 1.119 176.621 175.510 -0.012 0.000 1.022 285 N CA 0.955 53.993 53.050 -0.021 0.000 0.883 285 N CB -0.495 37.979 38.487 -0.022 0.000 0.965 285 N HN 0.595 nan 8.380 nan 0.000 0.438 286 N N -0.218 118.475 118.700 -0.011 0.000 2.461 286 N HA 0.044 4.785 4.740 0.001 0.000 0.188 286 N C 1.110 176.621 175.510 0.002 0.000 1.134 286 N CA 0.849 53.897 53.050 -0.005 0.000 0.878 286 N CB -0.195 38.289 38.487 -0.005 0.000 0.972 286 N HN 0.192 nan 8.380 nan 0.000 0.456 287 G N -0.329 108.473 108.800 0.004 0.000 2.176 287 G HA2 -0.299 3.662 3.960 0.001 0.000 0.253 287 G HA3 -0.299 3.662 3.960 0.001 0.000 0.253 287 G C -0.210 174.705 174.900 0.024 0.000 0.979 287 G CA 0.158 45.266 45.100 0.013 0.000 0.641 287 G HN 0.470 nan 8.290 nan 0.000 0.530 288 K N 1.189 121.602 120.400 0.022 0.000 2.174 288 K HA 0.495 4.815 4.320 0.001 0.000 0.275 288 K C 0.052 176.681 176.600 0.049 0.000 1.015 288 K CA -0.051 56.258 56.287 0.036 0.000 0.933 288 K CB 0.840 33.359 32.500 0.032 0.000 1.025 288 K HN 0.118 nan 8.250 nan 0.000 0.463 289 T N 3.698 118.300 114.554 0.080 0.000 2.806 289 T HA 0.360 4.710 4.350 0.001 0.000 0.290 289 T C 0.307 175.079 174.700 0.120 0.000 0.966 289 T CA -0.619 61.553 62.100 0.120 0.000 1.060 289 T CB 0.105 69.073 68.868 0.167 0.000 0.927 289 T HN 0.471 nan 8.240 nan 0.000 0.485 290 I N 0.232 120.877 120.570 0.126 0.000 2.603 290 I HA 0.666 4.836 4.170 0.001 0.000 0.300 290 I C -0.915 175.381 176.117 0.298 0.000 1.017 290 I CA -1.323 60.070 61.300 0.154 0.000 1.098 290 I CB 1.344 39.402 38.000 0.097 0.000 1.279 290 I HN 0.294 nan 8.210 nan 0.000 0.437 291 I N 3.600 124.334 120.570 0.275 0.000 2.377 291 I HA 0.462 4.633 4.170 0.001 0.000 0.293 291 I C 0.720 176.917 176.117 0.133 0.000 0.987 291 I CA -0.197 61.256 61.300 0.255 0.000 1.185 291 I CB 1.285 39.395 38.000 0.184 0.000 1.341 291 I HN 0.866 nan 8.210 nan 0.000 0.455 292 G N 5.857 114.587 108.800 -0.118 0.000 2.377 292 G HA2 0.568 4.528 3.960 0.001 0.000 0.299 292 G HA3 0.568 4.528 3.960 0.001 0.000 0.299 292 G C -1.251 173.443 174.900 -0.344 0.000 1.150 292 G CA -0.223 44.477 45.100 -0.665 0.000 0.847 292 G HN 0.451 nan 8.290 nan 0.000 0.501 293 L N 1.633 122.677 121.223 -0.298 0.000 2.445 293 L HA 0.751 5.091 4.340 0.001 0.000 0.262 293 L C 0.805 177.585 176.870 -0.150 0.000 0.974 293 L CA 1.082 55.819 54.840 -0.172 0.000 0.822 293 L CB 1.664 43.663 42.059 -0.099 0.000 1.339 293 L HN 1.514 nan 8.230 nan 0.000 0.409 294 G N 3.043 111.781 108.800 -0.105 0.000 2.561 294 G HA2 -0.358 3.602 3.960 0.001 0.000 0.289 294 G HA3 -0.358 3.602 3.960 0.001 0.000 0.289 294 G C 0.698 175.543 174.900 -0.091 0.000 1.169 294 G CA 0.570 45.630 45.100 -0.066 0.000 0.980 294 G HN 0.812 nan 8.290 nan 0.000 0.550 295 D N 0.180 120.541 120.400 -0.064 0.000 2.178 295 D HA 0.001 4.642 4.640 0.001 0.000 0.201 295 D C 2.537 178.773 176.300 -0.106 0.000 0.980 295 D CA 1.274 55.238 54.000 -0.061 0.000 0.842 295 D CB -0.024 40.760 40.800 -0.026 0.000 0.948 295 D HN 0.374 nan 8.370 nan 0.000 0.472 296 I N 0.514 120.992 120.570 -0.153 0.000 2.676 296 I HA -0.257 3.913 4.170 0.001 0.000 0.259 296 I C 2.189 178.116 176.117 -0.317 0.000 1.194 296 I CA 0.980 62.154 61.300 -0.209 0.000 1.473 296 I CB 0.151 38.002 38.000 -0.247 0.000 1.096 296 I HN 0.024 nan 8.210 nan 0.000 0.443 297 Q N 0.709 120.292 119.800 -0.362 0.000 2.391 297 Q HA 0.293 4.633 4.340 0.001 0.000 0.211 297 Q C 0.282 175.973 176.000 -0.514 0.000 0.908 297 Q CA 0.575 56.104 55.803 -0.456 0.000 0.920 297 Q CB 0.411 28.869 28.738 -0.467 0.000 1.056 297 Q HN 0.242 nan 8.270 nan 0.000 0.523 298 A N 0.600 123.232 122.820 -0.313 0.000 2.530 298 A HA 0.545 4.866 4.320 0.001 0.000 0.279 298 A C -1.006 176.549 177.584 -0.049 0.000 1.109 298 A CA -0.677 51.255 52.037 -0.175 0.000 0.763 298 A CB 1.420 20.372 19.000 -0.079 0.000 1.257 298 A HN 0.111 nan 8.150 nan 0.000 0.424 299 T N 2.001 116.548 114.554 -0.012 0.000 2.733 299 T HA 0.467 4.818 4.350 0.001 0.000 0.294 299 T C -0.275 174.449 174.700 0.040 0.000 0.956 299 T CA -0.140 61.965 62.100 0.008 0.000 0.987 299 T CB 1.077 69.948 68.868 0.005 0.000 0.920 299 T HN 0.720 nan 8.240 nan 0.000 0.470 300 V N 3.513 123.445 119.914 0.029 0.000 2.667 300 V HA 0.350 4.470 4.120 0.001 0.000 0.308 300 V C -0.109 175.989 176.094 0.008 0.000 1.048 300 V CA -1.022 61.296 62.300 0.030 0.000 0.928 300 V CB 1.862 33.702 31.823 0.027 0.000 1.004 300 V HN 0.880 nan 8.190 nan 0.000 0.444 301 D N 5.977 126.378 120.400 0.001 0.000 2.424 301 D HA 0.178 4.818 4.640 0.001 0.000 0.244 301 D C -1.905 174.371 176.300 -0.040 0.000 1.134 301 D CA -1.196 52.789 54.000 -0.025 0.000 0.881 301 D CB 2.156 42.931 40.800 -0.042 0.000 1.191 301 D HN 0.356 nan 8.370 nan 0.000 0.445 302 P HA -0.059 nan 4.420 nan 0.000 0.242 302 P C 1.420 178.694 177.300 -0.044 0.000 1.197 302 P CA 0.013 63.088 63.100 -0.041 0.000 0.765 302 P CB 0.287 31.960 31.700 -0.044 0.000 0.936 303 V N -0.505 119.376 119.914 -0.055 0.000 2.469 303 V HA -0.193 3.928 4.120 0.001 0.000 0.251 303 V C 1.540 177.607 176.094 -0.044 0.000 1.064 303 V CA 1.882 64.152 62.300 -0.050 0.000 1.066 303 V CB -0.590 31.196 31.823 -0.061 0.000 0.667 303 V HN 0.018 nan 8.190 nan 0.000 0.461 304 L N 0.376 121.544 121.223 -0.092 0.000 2.693 304 L HA 0.508 4.848 4.340 0.001 0.000 0.235 304 L C 1.526 178.455 176.870 0.097 0.000 1.127 304 L CA 0.940 55.744 54.840 -0.059 0.000 0.914 304 L CB -0.626 41.104 42.059 -0.549 0.000 1.193 304 L HN 0.459 nan 8.230 nan 0.000 0.502 305 G N 0.325 109.148 108.800 0.038 0.000 2.338 305 G HA2 -0.300 3.661 3.960 0.001 0.000 0.296 305 G HA3 -0.300 3.661 3.960 0.001 0.000 0.296 305 G C 0.927 175.880 174.900 0.088 0.000 1.040 305 G CA 0.440 45.575 45.100 0.057 0.000 1.004 305 G HN 0.333 nan 8.290 nan 0.000 0.509 306 Q N -0.676 119.157 119.800 0.055 0.000 2.391 306 Q HA 0.101 4.441 4.340 0.001 0.000 0.211 306 Q C 2.699 178.721 176.000 0.037 0.000 0.908 306 Q CA 1.122 56.966 55.803 0.068 0.000 0.920 306 Q CB -0.310 28.471 28.738 0.071 0.000 1.056 306 Q HN 0.632 nan 8.270 nan 0.000 0.523 307 G N 1.559 110.371 108.800 0.020 0.000 2.553 307 G HA2 -0.310 3.650 3.960 0.001 0.000 0.218 307 G HA3 -0.310 3.650 3.960 0.001 0.000 0.218 307 G C 1.515 176.419 174.900 0.007 0.000 1.195 307 G CA 1.658 46.766 45.100 0.014 0.000 0.779 307 G HN 0.450 nan 8.290 nan 0.000 0.577 308 A N 0.902 123.717 122.820 -0.009 0.000 1.898 308 A HA -0.066 4.254 4.320 0.001 0.000 0.216 308 A C 2.293 179.784 177.584 -0.156 0.000 1.181 308 A CA 1.843 53.845 52.037 -0.058 0.000 0.620 308 A CB -0.427 18.545 19.000 -0.047 0.000 0.819 308 A HN 0.373 nan 8.150 nan 0.000 0.442 309 N N -0.289 118.343 118.700 -0.113 0.000 2.166 309 N HA -0.121 4.619 4.740 0.001 0.000 0.186 309 N C 1.598 177.117 175.510 0.015 0.000 1.019 309 N CA 1.534 54.539 53.050 -0.075 0.000 0.856 309 N CB -0.360 38.107 38.487 -0.033 0.000 0.993 309 N HN 0.342 nan 8.380 nan 0.000 0.426 310 M N 0.668 120.290 119.600 0.037 0.000 2.200 310 M HA 0.066 4.547 4.480 0.001 0.000 0.265 310 M C 2.205 178.573 176.300 0.113 0.000 1.066 310 M CA 0.539 55.904 55.300 0.108 0.000 1.127 310 M CB -1.283 31.368 32.600 0.085 0.000 1.379 310 M HN 0.063 nan 8.290 nan 0.000 0.420 311 A N -0.341 122.500 122.820 0.034 0.000 1.877 311 A HA -0.160 4.161 4.320 0.001 0.000 0.216 311 A C 2.531 180.113 177.584 -0.002 0.000 1.186 311 A CA 2.355 54.394 52.037 0.004 0.000 0.620 311 A CB -1.029 17.960 19.000 -0.017 0.000 0.822 311 A HN 0.480 nan 8.150 nan 0.000 0.443 312 S N -1.934 113.738 115.700 -0.047 0.000 2.368 312 S HA -0.207 4.264 4.470 0.001 0.000 0.225 312 S C 1.930 176.644 174.600 0.190 0.000 1.030 312 S CA 1.700 59.906 58.200 0.010 0.000 0.999 312 S CB -0.577 62.599 63.200 -0.041 0.000 0.844 312 S HN 0.665 nan 8.310 nan 0.000 0.459 313 Y N 1.989 122.320 120.300 0.051 0.000 2.145 313 Y HA -0.013 4.537 4.550 0.001 0.000 0.286 313 Y C 2.384 178.344 175.900 0.100 0.000 1.145 313 Y CA 1.499 59.643 58.100 0.074 0.000 1.148 313 Y CB -0.979 37.503 38.460 0.036 0.000 0.981 313 Y HN 0.298 nan 8.280 nan 0.000 0.507 314 A N 0.435 123.242 122.820 -0.022 0.000 1.968 314 A HA 0.016 4.336 4.320 0.001 0.000 0.217 314 A C 2.383 179.899 177.584 -0.115 0.000 1.169 314 A CA 1.424 53.378 52.037 -0.138 0.000 0.638 314 A CB -1.374 17.616 19.000 -0.017 0.000 0.812 314 A HN 0.620 nan 8.150 nan 0.000 0.446 315 A N -1.145 121.662 122.820 -0.022 0.000 1.902 315 A HA -0.185 4.136 4.320 0.001 0.000 0.217 315 A C 2.095 179.615 177.584 -0.107 0.000 1.181 315 A CA 1.333 53.362 52.037 -0.013 0.000 0.623 315 A CB -0.826 18.235 19.000 0.102 0.000 0.818 315 A HN 0.823 nan 8.150 nan 0.000 0.443 316 W N 0.679 121.836 121.300 -0.239 0.000 2.355 316 W HA -0.167 4.493 4.660 0.000 0.000 0.309 316 W C 1.718 177.922 176.519 -0.526 0.000 1.206 316 W CA 1.645 58.745 57.345 -0.407 0.000 1.284 316 W CB -0.187 29.166 29.460 -0.178 0.000 1.145 316 W HN 0.260 nan 8.180 nan 0.000 0.502 317 I N 0.651 121.105 120.570 -0.193 0.000 2.179 317 I HA -0.290 3.880 4.170 0.001 0.000 0.242 317 I C 2.497 178.469 176.117 -0.241 0.000 1.088 317 I CA 1.117 62.281 61.300 -0.228 0.000 1.357 317 I CB -1.801 36.008 38.000 -0.318 0.000 1.051 317 I HN 0.016 nan 8.210 nan 0.000 0.409 318 L N 1.643 122.730 121.223 -0.226 0.000 2.042 318 L HA -0.078 4.262 4.340 0.001 0.000 0.210 318 L C 2.423 179.187 176.870 -0.176 0.000 1.076 318 L CA 2.255 57.008 54.840 -0.146 0.000 0.749 318 L CB -1.346 40.653 42.059 -0.100 0.000 0.893 318 L HN 0.221 nan 8.230 nan 0.000 0.432 319 G N -1.074 107.472 108.800 -0.424 0.000 2.476 319 G HA2 -0.293 3.667 3.960 0.001 0.000 0.218 319 G HA3 -0.293 3.667 3.960 0.001 0.000 0.218 319 G C 1.463 176.082 174.900 -0.469 0.000 1.164 319 G CA 0.918 45.649 45.100 -0.614 0.000 0.768 319 G HN 0.554 nan 8.290 nan 0.000 0.560 320 E N 0.058 119.885 120.200 -0.622 0.000 2.077 320 E HA -0.102 4.248 4.350 0.001 0.000 0.193 320 E C 2.519 179.126 176.600 0.011 0.000 0.989 320 E CA 0.892 57.173 56.400 -0.199 0.000 0.800 320 E CB -0.009 29.604 29.700 -0.144 0.000 0.746 320 E HN 0.312 nan 8.360 nan 0.000 0.452 321 E N 0.537 120.775 120.200 0.063 0.000 2.152 321 E HA -0.109 4.241 4.350 0.001 0.000 0.192 321 E C 2.093 179.028 176.600 0.558 0.000 0.983 321 E CA 0.519 57.104 56.400 0.308 0.000 0.818 321 E CB -0.082 29.719 29.700 0.168 0.000 0.758 321 E HN 0.360 nan 8.360 nan 0.000 0.467 322 I N 0.779 121.575 120.570 0.377 0.000 2.286 322 I HA -0.265 3.905 4.170 0.001 0.000 0.248 322 I C 2.218 178.495 176.117 0.268 0.000 1.115 322 I CA 0.874 62.370 61.300 0.327 0.000 1.392 322 I CB -0.183 37.858 38.000 0.068 0.000 1.065 322 I HN 0.056 nan 8.210 nan 0.000 0.418 323 L N 0.139 121.449 121.223 0.144 0.000 2.156 323 L HA -0.071 4.270 4.340 0.001 0.000 0.208 323 L C 2.633 179.529 176.870 0.043 0.000 1.095 323 L CA 0.979 55.851 54.840 0.054 0.000 0.770 323 L CB -0.655 41.365 42.059 -0.065 0.000 0.914 323 L HN 0.183 nan 8.230 nan 0.000 0.439 324 A N -1.825 121.039 122.820 0.073 0.000 2.123 324 A HA 0.028 4.348 4.320 0.001 0.000 0.214 324 A C 0.813 178.247 177.584 -0.250 0.000 1.152 324 A CA 0.442 52.438 52.037 -0.068 0.000 0.728 324 A CB -0.266 18.692 19.000 -0.069 0.000 0.814 324 A HN 0.318 nan 8.150 nan 0.000 0.464 325 H N -1.280 117.792 119.070 0.003 0.000 2.670 325 H HA 0.394 4.951 4.556 0.001 0.000 0.361 325 H C 0.428 175.532 175.328 -0.374 0.000 1.169 325 H CA 0.275 56.228 56.048 -0.158 0.000 1.198 325 H CB 1.974 31.683 29.762 -0.087 0.000 1.700 325 H HN 0.306 nan 8.280 nan 0.000 0.542 326 S N 0.219 115.702 115.700 -0.361 0.000 2.549 326 S HA 0.150 4.620 4.470 0.001 0.000 0.225 326 S C 0.264 174.464 174.600 -0.666 0.000 1.039 326 S CA -0.262 57.665 58.200 -0.456 0.000 0.942 326 S CB 0.430 63.505 63.200 -0.208 0.000 0.881 326 S HN 0.174 nan 8.310 nan 0.000 0.503 327 V N 3.102 122.652 119.914 -0.608 0.000 2.357 327 V HA 0.444 4.564 4.120 0.001 0.000 0.284 327 V C -1.488 174.252 176.094 -0.590 0.000 1.018 327 V CA -0.696 61.319 62.300 -0.474 0.000 0.841 327 V CB 0.390 32.099 31.823 -0.190 0.000 0.991 327 V HN 0.411 nan 8.190 nan 0.000 0.437 328 Y N 4.297 124.446 120.300 -0.251 0.000 2.880 328 Y HA 0.468 5.018 4.550 0.001 0.000 0.329 328 Y C 0.431 176.282 175.900 -0.081 0.000 1.156 328 Y CA -1.193 56.656 58.100 -0.418 0.000 1.348 328 Y CB 0.060 38.161 38.460 -0.599 0.000 1.280 328 Y HN 0.829 nan 8.280 nan 0.000 0.516 329 D N -0.459 120.027 120.400 0.142 0.000 2.831 329 D HA 0.140 4.780 4.640 0.001 0.000 0.240 329 D C 0.910 177.287 176.300 0.129 0.000 1.183 329 D CA -0.708 53.368 54.000 0.126 0.000 1.079 329 D CB 0.184 41.020 40.800 0.061 0.000 1.262 329 D HN 0.182 nan 8.370 nan 0.000 0.634 330 L N -0.325 120.926 121.223 0.046 0.000 2.083 330 L HA 0.037 4.377 4.340 0.001 0.000 0.209 330 L C 2.313 179.162 176.870 -0.035 0.000 1.083 330 L CA 1.808 56.617 54.840 -0.052 0.000 0.752 330 L CB -0.784 41.252 42.059 -0.038 0.000 0.899 330 L HN 0.410 nan 8.230 nan 0.000 0.433 331 R N -0.826 119.696 120.500 0.037 0.000 2.081 331 R HA -0.229 4.112 4.340 0.001 0.000 0.235 331 R C 2.205 178.568 176.300 0.106 0.000 1.131 331 R CA 1.946 58.096 56.100 0.084 0.000 0.960 331 R CB -1.174 29.192 30.300 0.110 0.000 0.856 331 R HN 0.451 nan 8.270 nan 0.000 0.436 332 F N 0.390 120.267 119.950 -0.121 0.000 2.126 332 F HA -0.162 4.366 4.527 0.001 0.000 0.299 332 F C 2.357 178.063 175.800 -0.157 0.000 1.096 332 F CA 2.004 59.815 58.000 -0.314 0.000 1.255 332 F CB -0.949 37.897 39.000 -0.256 0.000 0.997 332 F HN 0.127 nan 8.300 nan 0.000 0.479 333 S N -0.227 115.351 115.700 -0.203 0.000 2.382 333 S HA -0.213 4.257 4.470 0.001 0.000 0.228 333 S C 1.962 176.407 174.600 -0.258 0.000 1.027 333 S CA 1.654 59.677 58.200 -0.296 0.000 0.991 333 S CB -0.490 62.540 63.200 -0.284 0.000 0.823 333 S HN 0.644 nan 8.310 nan 0.000 0.469 334 E N -0.580 119.520 120.200 -0.167 0.000 2.077 334 E HA -0.162 4.188 4.350 0.001 0.000 0.193 334 E C 1.991 178.514 176.600 -0.127 0.000 0.989 334 E CA 1.434 57.766 56.400 -0.114 0.000 0.800 334 E CB -0.236 29.424 29.700 -0.068 0.000 0.746 334 E HN 0.649 nan 8.360 nan 0.000 0.452 335 H N 0.145 119.097 119.070 -0.197 0.000 2.352 335 H HA -0.140 4.416 4.556 0.001 0.000 0.299 335 H C 1.942 177.147 175.328 -0.205 0.000 1.097 335 H CA 1.450 57.406 56.048 -0.154 0.000 1.311 335 H CB -0.064 29.628 29.762 -0.117 0.000 1.377 335 H HN 0.068 nan 8.280 nan 0.000 0.504 336 L N 0.651 121.719 121.223 -0.259 0.000 2.005 336 L HA -0.114 4.227 4.340 0.001 0.000 0.207 336 L C 1.983 178.770 176.870 -0.139 0.000 1.072 336 L CA 1.760 56.435 54.840 -0.275 0.000 0.744 336 L CB -0.461 41.315 42.059 -0.471 0.000 0.895 336 L HN 0.053 nan 8.230 nan 0.000 0.433 337 E N 0.307 120.437 120.200 -0.116 0.000 2.085 337 E HA -0.238 4.112 4.350 0.001 0.000 0.194 337 E C 2.299 178.893 176.600 -0.009 0.000 0.994 337 E CA 1.679 58.058 56.400 -0.035 0.000 0.801 337 E CB -0.336 29.356 29.700 -0.013 0.000 0.743 337 E HN 0.660 nan 8.360 nan 0.000 0.453 338 R N -0.012 120.465 120.500 -0.039 0.000 2.189 338 R HA 0.019 4.359 4.340 0.001 0.000 0.223 338 R C 2.060 178.363 176.300 0.005 0.000 1.092 338 R CA 1.114 57.199 56.100 -0.025 0.000 0.989 338 R CB -0.142 30.116 30.300 -0.069 0.000 0.876 338 R HN 0.023 nan 8.270 nan 0.000 0.457 339 R N 0.714 121.217 120.500 0.004 0.000 2.075 339 R HA 0.029 4.370 4.340 0.001 0.000 0.220 339 R C 2.385 178.740 176.300 0.091 0.000 1.118 339 R CA 1.513 57.635 56.100 0.036 0.000 0.986 339 R CB -0.041 30.265 30.300 0.009 0.000 0.884 339 R HN 0.385 nan 8.270 nan 0.000 0.439 340 R N 0.146 120.684 120.500 0.065 0.000 2.223 340 R HA 0.125 4.465 4.340 0.001 0.000 0.198 340 R C 1.884 178.331 176.300 0.246 0.000 0.984 340 R CA 0.318 56.514 56.100 0.159 0.000 1.018 340 R CB -0.126 30.177 30.300 0.005 0.000 0.945 340 R HN 0.073 nan 8.270 nan 0.000 0.479 341 Q N 1.310 121.202 119.800 0.153 0.000 2.030 341 Q HA -0.217 4.123 4.340 0.001 0.000 0.204 341 Q C 1.239 177.319 176.000 0.134 0.000 0.986 341 Q CA 2.325 58.229 55.803 0.168 0.000 0.843 341 Q CB -0.233 28.585 28.738 0.134 0.000 0.904 341 Q HN 0.384 nan 8.270 nan 0.000 0.420 342 D N 0.101 120.555 120.400 0.090 0.000 2.106 342 D HA -0.215 4.425 4.640 0.001 0.000 0.191 342 D C 1.945 178.251 176.300 0.010 0.000 0.997 342 D CA 1.638 55.660 54.000 0.036 0.000 0.834 342 D CB -0.061 40.761 40.800 0.037 0.000 0.956 342 D HN 0.086 nan 8.370 nan 0.000 0.448 343 R N -0.350 120.163 120.500 0.021 0.000 2.073 343 R HA -0.102 4.238 4.340 0.001 0.000 0.234 343 R C 2.233 178.516 176.300 -0.028 0.000 1.134 343 R CA 1.485 57.534 56.100 -0.085 0.000 0.952 343 R CB -0.309 29.768 30.300 -0.372 0.000 0.850 343 R HN 0.131 nan 8.270 nan 0.000 0.433 344 V N 1.267 121.238 119.914 0.095 0.000 2.358 344 V HA -0.220 3.901 4.120 0.001 0.000 0.246 344 V C 2.256 178.457 176.094 0.178 0.000 1.047 344 V CA 1.483 63.887 62.300 0.174 0.000 1.035 344 V CB -0.548 31.431 31.823 0.261 0.000 0.658 344 V HN 0.342 nan 8.190 nan 0.000 0.452 345 L N -0.127 121.142 121.223 0.076 0.000 2.056 345 L HA -0.127 4.213 4.340 0.001 0.000 0.207 345 L C 2.356 179.015 176.870 -0.351 0.000 1.078 345 L CA 1.982 56.638 54.840 -0.308 0.000 0.749 345 L CB -0.855 40.949 42.059 -0.425 0.000 0.901 345 L HN 0.345 nan 8.230 nan 0.000 0.433 346 C N -0.497 118.652 119.300 -0.252 0.000 2.422 346 C HA -0.052 4.408 4.460 0.001 0.000 0.279 346 C C 2.979 177.885 174.990 -0.141 0.000 1.305 346 C CA 0.531 59.362 59.018 -0.311 0.000 1.757 346 C CB -1.580 26.085 27.740 -0.125 0.000 1.962 346 C HN 0.706 nan 8.230 nan 0.000 0.499 347 A N -0.066 122.741 122.820 -0.022 0.000 1.902 347 A HA -0.171 4.150 4.320 0.001 0.000 0.217 347 A C 2.218 179.817 177.584 0.026 0.000 1.181 347 A CA 2.463 54.558 52.037 0.096 0.000 0.623 347 A CB -0.996 18.057 19.000 0.088 0.000 0.818 347 A HN 0.529 nan 8.150 nan 0.000 0.443 348 T N -0.530 113.993 114.554 -0.053 0.000 2.737 348 T HA -0.112 4.238 4.350 0.001 0.000 0.265 348 T C 2.117 176.696 174.700 -0.201 0.000 1.038 348 T CA 1.598 63.647 62.100 -0.085 0.000 1.144 348 T CB -0.202 68.629 68.868 -0.062 0.000 0.866 348 T HN 0.521 nan 8.240 nan 0.000 0.434 349 R N -0.404 119.842 120.500 -0.424 0.000 2.073 349 R HA -0.105 4.235 4.340 0.001 0.000 0.234 349 R C 2.251 178.303 176.300 -0.415 0.000 1.134 349 R CA 1.683 57.355 56.100 -0.714 0.000 0.952 349 R CB -0.370 28.954 30.300 -1.626 0.000 0.850 349 R HN 0.424 nan 8.270 nan 0.000 0.433 350 W N 1.655 122.720 121.300 -0.391 0.000 2.358 350 W HA -0.119 4.542 4.660 0.002 0.000 0.303 350 W C 1.758 178.313 176.519 0.060 0.000 1.208 350 W CA 1.543 58.895 57.345 0.012 0.000 1.274 350 W CB -0.662 28.828 29.460 0.050 0.000 1.138 350 W HN -0.074 nan 8.180 nan 0.000 0.515 351 T N 1.324 115.798 114.554 -0.133 0.000 2.708 351 T HA -0.213 4.138 4.350 0.001 0.000 0.266 351 T C 1.544 176.200 174.700 -0.073 0.000 1.037 351 T CA 1.791 63.748 62.100 -0.237 0.000 1.146 351 T CB -0.463 68.314 68.868 -0.152 0.000 0.865 351 T HN 0.098 nan 8.240 nan 0.000 0.435 352 N N 0.925 119.648 118.700 0.037 0.000 2.120 352 N HA -0.021 4.720 4.740 0.001 0.000 0.188 352 N C 1.523 177.142 175.510 0.183 0.000 1.024 352 N CA 0.782 53.947 53.050 0.192 0.000 0.852 352 N CB -0.667 37.860 38.487 0.066 0.000 1.003 352 N HN 0.395 nan 8.380 nan 0.000 0.424 353 F N 1.967 121.940 119.950 0.037 0.000 2.126 353 F HA -0.197 4.331 4.527 0.001 0.000 0.299 353 F C 2.123 177.869 175.800 -0.089 0.000 1.096 353 F CA 1.436 59.482 58.000 0.077 0.000 1.255 353 F CB -0.627 38.569 39.000 0.327 0.000 0.997 353 F HN -0.053 nan 8.300 nan 0.000 0.479 354 T N 1.677 116.163 114.554 -0.113 0.000 2.777 354 T HA -0.160 4.190 4.350 0.001 0.000 0.266 354 T C 2.137 176.614 174.700 -0.372 0.000 1.040 354 T CA 1.683 63.584 62.100 -0.330 0.000 1.141 354 T CB -0.580 68.118 68.868 -0.283 0.000 0.868 354 T HN 0.255 nan 8.240 nan 0.000 0.444 355 L N 0.830 121.911 121.223 -0.237 0.000 2.012 355 L HA -0.148 4.192 4.340 0.001 0.000 0.210 355 L C 2.876 179.578 176.870 -0.281 0.000 1.073 355 L CA 1.213 55.913 54.840 -0.233 0.000 0.748 355 L CB -0.588 41.351 42.059 -0.199 0.000 0.891 355 L HN 0.235 nan 8.230 nan 0.000 0.431 356 S N -0.483 115.080 115.700 -0.229 0.000 2.371 356 S HA -0.086 4.385 4.470 0.001 0.000 0.224 356 S C 2.135 176.508 174.600 -0.380 0.000 1.029 356 S CA 1.028 59.096 58.200 -0.219 0.000 0.978 356 S CB -0.216 62.942 63.200 -0.070 0.000 0.833 356 S HN 0.487 nan 8.310 nan 0.000 0.466 357 A N 1.264 123.675 122.820 -0.681 0.000 1.930 357 A HA 0.072 4.393 4.320 0.001 0.000 0.217 357 A C 2.041 179.145 177.584 -0.800 0.000 1.175 357 A CA 0.961 52.407 52.037 -0.986 0.000 0.627 357 A CB -0.595 17.285 19.000 -1.867 0.000 0.815 357 A HN 0.447 nan 8.150 nan 0.000 0.443 358 L N 0.299 121.152 121.223 -0.618 0.000 2.156 358 L HA -0.133 4.207 4.340 0.001 0.000 0.208 358 L C 2.881 179.803 176.870 0.088 0.000 1.095 358 L CA 1.432 56.072 54.840 -0.333 0.000 0.770 358 L CB -0.243 41.576 42.059 -0.400 0.000 0.914 358 L HN 0.600 nan 8.230 nan 0.000 0.439 359 S N -0.785 114.891 115.700 -0.041 0.000 2.421 359 S HA 0.061 4.531 4.470 0.001 0.000 0.224 359 S C 1.984 176.600 174.600 0.027 0.000 1.035 359 S CA 0.443 58.659 58.200 0.027 0.000 0.953 359 S CB -0.011 63.065 63.200 -0.207 0.000 0.810 359 S HN 0.278 nan 8.310 nan 0.000 0.497 360 A N 1.342 124.131 122.820 -0.052 0.000 1.997 360 A HA 0.549 4.869 4.320 0.001 0.000 0.212 360 A C 0.954 178.547 177.584 0.015 0.000 1.178 360 A CA 0.130 52.150 52.037 -0.028 0.000 0.698 360 A CB -0.658 18.303 19.000 -0.065 0.000 0.842 360 A HN 0.616 nan 8.150 nan 0.000 0.458 361 L N -0.311 120.916 121.223 0.006 0.000 3.721 361 L HA -0.125 4.216 4.340 0.001 0.000 0.625 361 L C -2.464 174.481 176.870 0.125 0.000 1.186 361 L CA -0.678 54.236 54.840 0.123 0.000 0.961 361 L CB -1.655 40.533 42.059 0.216 0.000 1.418 361 L HN 0.252 nan 8.230 nan 0.000 0.838 362 P HA 0.142 nan 4.420 nan 0.000 0.272 362 P C -1.503 175.906 177.300 0.182 0.000 1.240 362 P CA -1.257 61.914 63.100 0.117 0.000 0.791 362 P CB 0.199 31.955 31.700 0.094 0.000 0.978 363 P HA -0.185 nan 4.420 nan 0.000 0.216 363 P C 0.779 178.172 177.300 0.154 0.000 1.150 363 P CA 1.692 64.867 63.100 0.126 0.000 0.837 363 P CB -0.017 31.737 31.700 0.090 0.000 0.786 364 E N -1.254 119.058 120.200 0.187 0.000 2.347 364 E HA -0.095 4.255 4.350 0.001 0.000 0.196 364 E C 1.772 178.565 176.600 0.323 0.000 1.008 364 E CA 0.543 57.071 56.400 0.213 0.000 0.852 364 E CB -1.308 28.511 29.700 0.199 0.000 0.783 364 E HN 0.229 nan 8.360 nan 0.000 0.505 365 F N 0.948 121.018 119.950 0.198 0.000 2.219 365 F HA 0.187 4.715 4.527 0.001 0.000 0.294 365 F C 1.626 177.568 175.800 0.237 0.000 1.086 365 F CA 0.795 58.953 58.000 0.263 0.000 1.330 365 F CB 0.076 39.167 39.000 0.153 0.000 1.047 365 F HN -0.061 nan 8.300 nan 0.000 0.495 366 L N -0.270 121.066 121.223 0.190 0.000 2.093 366 L HA -0.135 4.205 4.340 0.001 0.000 0.208 366 L C 2.716 179.565 176.870 -0.035 0.000 1.085 366 L CA 1.067 55.936 54.840 0.048 0.000 0.755 366 L CB -1.106 41.013 42.059 0.100 0.000 0.904 366 L HN 0.189 nan 8.230 nan 0.000 0.435 367 A N 0.037 122.870 122.820 0.022 0.000 1.933 367 A HA -0.258 4.062 4.320 0.001 0.000 0.218 367 A C 2.160 179.703 177.584 -0.068 0.000 1.175 367 A CA 1.461 53.489 52.037 -0.015 0.000 0.628 367 A CB -0.749 18.271 19.000 0.033 0.000 0.814 367 A HN 0.434 nan 8.150 nan 0.000 0.444 368 F N 0.420 120.263 119.950 -0.179 0.000 2.102 368 F HA -0.133 4.394 4.527 0.000 0.000 0.298 368 F C 1.686 177.239 175.800 -0.412 0.000 1.105 368 F CA 1.561 59.387 58.000 -0.289 0.000 1.239 368 F CB -0.496 38.387 39.000 -0.195 0.000 0.991 368 F HN 0.124 nan 8.300 nan 0.000 0.474 369 L N 0.784 121.558 121.223 -0.749 0.000 2.042 369 L HA -0.254 4.086 4.340 0.001 0.000 0.210 369 L C 2.553 179.037 176.870 -0.644 0.000 1.076 369 L CA 1.913 56.276 54.840 -0.794 0.000 0.749 369 L CB -1.323 40.464 42.059 -0.452 0.000 0.893 369 L HN 0.281 nan 8.230 nan 0.000 0.432 370 Q N -1.204 118.337 119.800 -0.431 0.000 2.050 370 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 370 Q C 2.153 177.911 176.000 -0.403 0.000 0.980 370 Q CA 1.290 56.889 55.803 -0.340 0.000 0.840 370 Q CB -0.073 28.543 28.738 -0.204 0.000 0.898 370 Q HN 0.367 nan 8.270 nan 0.000 0.424 371 I N 0.299 120.618 120.570 -0.417 0.000 2.252 371 I HA -0.204 3.966 4.170 0.001 0.000 0.245 371 I C 2.266 178.042 176.117 -0.568 0.000 1.102 371 I CA 0.892 61.952 61.300 -0.400 0.000 1.385 371 I CB -1.019 36.792 38.000 -0.315 0.000 1.064 371 I HN 0.267 nan 8.210 nan 0.000 0.414 372 L N 1.337 122.051 121.223 -0.848 0.000 2.083 372 L HA -0.201 4.139 4.340 0.001 0.000 0.209 372 L C 2.736 178.963 176.870 -1.071 0.000 1.083 372 L CA 2.095 56.341 54.840 -0.990 0.000 0.752 372 L CB -0.556 40.686 42.059 -1.361 0.000 0.899 372 L HN 0.349 nan 8.230 nan 0.000 0.433 373 S N -2.129 112.810 115.700 -1.269 0.000 2.453 373 S HA -0.111 4.359 4.470 0.001 0.000 0.231 373 S C 1.675 175.901 174.600 -0.624 0.000 1.005 373 S CA 0.624 57.947 58.200 -1.462 0.000 0.949 373 S CB -0.292 62.311 63.200 -0.995 0.000 0.774 373 S HN 0.561 nan 8.310 nan 0.000 0.510 374 Q N 0.540 120.073 119.800 -0.446 0.000 2.281 374 Q HA 0.347 4.688 4.340 0.001 0.000 0.215 374 Q C 0.089 175.990 176.000 -0.164 0.000 0.867 374 Q CA 0.154 55.818 55.803 -0.232 0.000 0.940 374 Q CB 0.834 29.460 28.738 -0.186 0.000 1.111 374 Q HN 0.512 nan 8.270 nan 0.000 0.513 375 S N 0.629 116.196 115.700 -0.223 0.000 2.669 375 S HA 0.351 4.822 4.470 0.001 0.000 0.315 375 S C 0.622 175.157 174.600 -0.108 0.000 1.106 375 S CA -0.489 57.633 58.200 -0.130 0.000 1.107 375 S CB 1.243 64.357 63.200 -0.143 0.000 0.990 375 S HN 0.093 nan 8.310 nan 0.000 0.471 376 R N 3.968 124.471 120.500 0.006 0.000 2.081 376 R HA -0.031 4.310 4.340 0.001 0.000 0.235 376 R C 1.349 177.688 176.300 0.065 0.000 1.131 376 R CA 2.248 58.393 56.100 0.074 0.000 0.960 376 R CB -0.478 29.893 30.300 0.119 0.000 0.856 376 R HN 0.671 nan 8.270 nan 0.000 0.436 377 E N -0.090 120.159 120.200 0.082 0.000 2.118 377 E HA -0.185 4.165 4.350 0.001 0.000 0.195 377 E C 1.927 178.503 176.600 -0.039 0.000 0.992 377 E CA 1.812 58.301 56.400 0.149 0.000 0.804 377 E CB -0.278 29.633 29.700 0.352 0.000 0.741 377 E HN 0.379 nan 8.360 nan 0.000 0.458 378 M N -0.204 119.120 119.600 -0.459 0.000 2.156 378 M HA -0.063 4.417 4.480 0.001 0.000 0.264 378 M C 2.110 178.277 176.300 -0.220 0.000 1.067 378 M CA 1.499 56.272 55.300 -0.880 0.000 1.131 378 M CB -0.005 31.834 32.600 -1.268 0.000 1.368 378 M HN 0.218 nan 8.290 nan 0.000 0.416 379 A N 0.428 123.193 122.820 -0.092 0.000 1.902 379 A HA -0.202 4.118 4.320 0.001 0.000 0.217 379 A C 1.622 179.353 177.584 0.246 0.000 1.181 379 A CA 2.105 54.237 52.037 0.158 0.000 0.623 379 A CB -0.855 18.287 19.000 0.236 0.000 0.818 379 A HN 0.513 nan 8.150 nan 0.000 0.443 380 D N -0.708 119.782 120.400 0.151 0.000 2.117 380 D HA -0.150 4.491 4.640 0.001 0.000 0.197 380 D C 1.910 178.325 176.300 0.191 0.000 0.987 380 D CA 1.520 55.602 54.000 0.138 0.000 0.829 380 D CB -0.351 40.523 40.800 0.123 0.000 0.961 380 D HN 0.738 nan 8.370 nan 0.000 0.460 381 E N -0.498 119.839 120.200 0.228 0.000 2.051 381 E HA -0.184 4.167 4.350 0.001 0.000 0.192 381 E C 2.026 178.861 176.600 0.392 0.000 0.991 381 E CA 0.560 57.134 56.400 0.289 0.000 0.799 381 E CB -0.189 29.713 29.700 0.337 0.000 0.748 381 E HN 0.169 nan 8.360 nan 0.000 0.449 382 F N 1.461 121.638 119.950 0.379 0.000 2.134 382 F HA -0.178 4.349 4.527 0.000 0.000 0.299 382 F C 2.228 178.387 175.800 0.599 0.000 1.097 382 F CA 1.978 60.298 58.000 0.533 0.000 1.264 382 F CB -0.716 38.647 39.000 0.605 0.000 1.001 382 F HN -0.021 nan 8.300 nan 0.000 0.479 383 T N -0.388 114.407 114.554 0.402 0.000 2.674 383 T HA -0.239 4.111 4.350 0.001 0.000 0.265 383 T C 1.523 176.318 174.700 0.159 0.000 1.039 383 T CA 1.853 64.097 62.100 0.241 0.000 1.150 383 T CB -0.601 68.285 68.868 0.031 0.000 0.864 383 T HN 0.317 nan 8.240 nan 0.000 0.427 384 D N 1.031 121.506 120.400 0.125 0.000 2.178 384 D HA -0.083 4.557 4.640 0.001 0.000 0.201 384 D C 1.799 178.186 176.300 0.146 0.000 0.980 384 D CA 0.658 54.721 54.000 0.106 0.000 0.842 384 D CB -0.251 40.631 40.800 0.137 0.000 0.948 384 D HN 0.094 nan 8.370 nan 0.000 0.472 385 N N -0.547 118.264 118.700 0.184 0.000 2.571 385 N HA -0.072 4.668 4.740 0.001 0.000 0.189 385 N C 0.886 176.359 175.510 -0.062 0.000 1.154 385 N CA 0.129 53.243 53.050 0.106 0.000 0.907 385 N CB -0.276 38.218 38.487 0.011 0.000 0.977 385 N HN 0.323 nan 8.380 nan 0.000 0.449 386 F N 1.033 120.943 119.950 -0.067 0.000 2.333 386 F HA -0.044 4.483 4.527 0.000 0.000 0.300 386 F C 2.004 177.764 175.800 -0.066 0.000 1.083 386 F CA 0.696 58.741 58.000 0.076 0.000 1.395 386 F CB 0.014 39.142 39.000 0.213 0.000 1.056 386 F HN 0.164 nan 8.300 nan 0.000 0.529 387 N N -0.899 117.711 118.700 -0.151 0.000 2.396 387 N HA -0.142 4.598 4.740 0.001 0.000 0.180 387 N C -0.536 174.530 175.510 -0.740 0.000 1.028 387 N CA 0.942 53.647 53.050 -0.577 0.000 0.893 387 N CB -0.019 37.830 38.487 -1.062 0.000 0.967 387 N HN 0.271 nan 8.380 nan 0.000 0.440 388 Y N -0.676 119.577 120.300 -0.077 0.000 2.705 388 Y HA 0.362 4.913 4.550 0.001 0.000 0.355 388 Y C -1.948 173.817 175.900 -0.225 0.000 1.039 388 Y CA -2.261 55.751 58.100 -0.147 0.000 1.233 388 Y CB 1.407 39.788 38.460 -0.132 0.000 1.103 388 Y HN -0.076 nan 8.280 nan 0.000 0.624 389 P HA -0.226 nan 4.420 nan 0.000 0.218 389 P C 1.547 178.769 177.300 -0.130 0.000 1.148 389 P CA 1.738 64.750 63.100 -0.146 0.000 0.822 389 P CB 0.433 32.144 31.700 0.017 0.000 0.784 390 E N 0.729 120.887 120.200 -0.071 0.000 2.153 390 E HA -0.199 4.152 4.350 0.001 0.000 0.194 390 E C 1.841 178.398 176.600 -0.071 0.000 0.988 390 E CA 1.268 57.648 56.400 -0.033 0.000 0.811 390 E CB -0.821 28.860 29.700 -0.032 0.000 0.746 390 E HN 0.270 nan 8.360 nan 0.000 0.466 391 R N 0.200 120.624 120.500 -0.127 0.000 2.115 391 R HA 0.004 4.344 4.340 0.001 0.000 0.226 391 R C 2.587 178.688 176.300 -0.332 0.000 1.100 391 R CA 1.160 57.135 56.100 -0.209 0.000 0.980 391 R CB -0.077 30.117 30.300 -0.176 0.000 0.875 391 R HN 0.232 nan 8.270 nan 0.000 0.445 392 Q N -0.149 119.414 119.800 -0.396 0.000 2.079 392 Q HA -0.203 4.137 4.340 0.001 0.000 0.200 392 Q C 1.808 177.655 176.000 -0.255 0.000 0.974 392 Q CA 1.121 56.600 55.803 -0.541 0.000 0.840 392 Q CB -0.238 27.709 28.738 -1.318 0.000 0.898 392 Q HN 0.566 nan 8.270 nan 0.000 0.430 393 W N 1.894 122.988 121.300 -0.344 0.000 2.467 393 W HA -0.149 4.511 4.660 0.000 0.000 0.275 393 W C 0.402 176.778 176.519 -0.239 0.000 1.239 393 W CA 0.821 58.043 57.345 -0.205 0.000 1.266 393 W CB 0.330 29.709 29.460 -0.134 0.000 1.112 393 W HN 0.171 nan 8.180 nan 0.000 0.576 394 D N 0.053 120.300 120.400 -0.256 0.000 2.218 394 D HA -0.163 4.478 4.640 0.001 0.000 0.204 394 D C 2.145 178.152 176.300 -0.489 0.000 0.976 394 D CA 1.146 54.934 54.000 -0.353 0.000 0.853 394 D CB -0.104 40.525 40.800 -0.286 0.000 0.939 394 D HN 0.125 nan 8.370 nan 0.000 0.481 395 R N -0.640 119.481 120.500 -0.632 0.000 2.105 395 R HA 0.102 4.442 4.340 0.001 0.000 0.214 395 R C 1.766 177.601 176.300 -0.774 0.000 1.091 395 R CA 0.392 55.997 56.100 -0.824 0.000 1.007 395 R CB -0.592 28.860 30.300 -1.412 0.000 0.912 395 R HN 0.259 nan 8.270 nan 0.000 0.450 396 F N 1.119 120.723 119.950 -0.576 0.000 2.746 396 F HA 0.072 4.600 4.527 0.001 0.000 0.297 396 F C 2.188 177.265 175.800 -1.205 0.000 1.113 396 F CA 0.359 57.904 58.000 -0.759 0.000 1.367 396 F CB -0.173 38.415 39.000 -0.686 0.000 1.111 396 F HN -0.040 nan 8.300 nan 0.000 0.590 397 S N -0.750 114.169 115.700 -1.300 0.000 2.419 397 S HA -0.062 4.409 4.470 0.001 0.000 0.233 397 S C 0.872 175.038 174.600 -0.723 0.000 1.016 397 S CA 0.613 57.826 58.200 -1.646 0.000 0.974 397 S CB -0.686 61.503 63.200 -1.685 0.000 0.786 397 S HN 0.257 nan 8.310 nan 0.000 0.492 398 S N -0.456 114.961 115.700 -0.472 0.000 2.564 398 S HA 0.610 5.081 4.470 0.001 0.000 0.274 398 S C -2.913 171.611 174.600 -0.127 0.000 1.124 398 S CA -1.428 56.638 58.200 -0.223 0.000 0.869 398 S CB 1.705 64.798 63.200 -0.178 0.000 1.105 398 S HN -0.094 nan 8.310 nan 0.000 0.472 399 P HA -0.093 nan 4.420 nan 0.000 0.216 399 P C 1.315 178.616 177.300 0.002 0.000 1.150 399 P CA 1.170 64.289 63.100 0.032 0.000 0.837 399 P CB 0.128 31.862 31.700 0.057 0.000 0.786 400 E N -0.150 120.032 120.200 -0.028 0.000 2.077 400 E HA -0.211 4.139 4.350 0.001 0.000 0.193 400 E C 2.039 178.609 176.600 -0.049 0.000 0.989 400 E CA 1.015 57.396 56.400 -0.033 0.000 0.800 400 E CB -0.081 29.593 29.700 -0.043 0.000 0.746 400 E HN 0.117 nan 8.360 nan 0.000 0.452 401 R N -0.042 120.397 120.500 -0.102 0.000 2.090 401 R HA -0.036 4.305 4.340 0.001 0.000 0.228 401 R C 2.453 178.696 176.300 -0.094 0.000 1.110 401 R CA 1.100 57.115 56.100 -0.140 0.000 0.973 401 R CB -0.136 30.011 30.300 -0.255 0.000 0.869 401 R HN 0.271 nan 8.270 nan 0.000 0.440 402 I N -0.243 120.280 120.570 -0.078 0.000 2.202 402 I HA -0.175 3.995 4.170 0.001 0.000 0.242 402 I C 2.493 178.659 176.117 0.081 0.000 1.091 402 I CA 1.506 62.805 61.300 -0.002 0.000 1.368 402 I CB -0.572 37.456 38.000 0.046 0.000 1.058 402 I HN 0.301 nan 8.210 nan 0.000 0.410 403 G N -0.146 108.687 108.800 0.055 0.000 2.422 403 G HA2 -0.297 3.663 3.960 0.001 0.000 0.218 403 G HA3 -0.297 3.663 3.960 0.001 0.000 0.218 403 G C 1.564 176.502 174.900 0.062 0.000 1.146 403 G CA 0.683 45.816 45.100 0.055 0.000 0.769 403 G HN 0.433 nan 8.290 nan 0.000 0.547 404 Q N -1.128 118.707 119.800 0.058 0.000 2.084 404 Q HA -0.162 4.179 4.340 0.001 0.000 0.202 404 Q C 2.222 178.317 176.000 0.158 0.000 0.978 404 Q CA 1.444 57.285 55.803 0.065 0.000 0.844 404 Q CB -0.330 28.419 28.738 0.019 0.000 0.898 404 Q HN 0.517 nan 8.270 nan 0.000 0.426 405 W N 0.679 121.960 121.300 -0.032 0.000 2.358 405 W HA -0.156 4.504 4.660 0.000 0.000 0.303 405 W C 2.051 178.667 176.519 0.162 0.000 1.208 405 W CA 0.729 58.101 57.345 0.044 0.000 1.274 405 W CB -0.863 28.559 29.460 -0.062 0.000 1.138 405 W HN 0.266 nan 8.180 nan 0.000 0.515 406 C N 0.420 119.791 119.300 0.118 0.000 2.440 406 C HA -0.171 4.289 4.460 0.001 0.000 0.278 406 C C 3.149 178.164 174.990 0.042 0.000 1.295 406 C CA 1.883 60.898 59.018 -0.005 0.000 1.738 406 C CB -1.569 26.165 27.740 -0.010 0.000 1.987 406 C HN 0.511 nan 8.230 nan 0.000 0.492 407 S N 1.744 117.477 115.700 0.054 0.000 2.428 407 S HA -0.215 4.255 4.470 0.001 0.000 0.230 407 S C 1.761 176.358 174.600 -0.004 0.000 1.014 407 S CA 1.336 59.548 58.200 0.020 0.000 0.957 407 S CB -0.719 62.489 63.200 0.013 0.000 0.784 407 S HN 0.891 nan 8.310 nan 0.000 0.499 408 Q N -0.785 119.014 119.800 -0.002 0.000 2.451 408 Q HA 0.191 4.531 4.340 0.001 0.000 0.206 408 Q C 0.748 176.524 176.000 -0.373 0.000 0.947 408 Q CA 0.545 56.252 55.803 -0.160 0.000 0.937 408 Q CB -0.373 28.261 28.738 -0.173 0.000 1.025 408 Q HN 0.626 nan 8.270 nan 0.000 0.511 409 F N 0.300 120.225 119.950 -0.042 0.000 2.746 409 F HA 0.458 4.985 4.527 0.001 0.000 0.313 409 F C 1.096 176.840 175.800 -0.092 0.000 1.095 409 F CA -0.301 57.653 58.000 -0.076 0.000 1.224 409 F CB 0.571 39.483 39.000 -0.147 0.000 1.060 409 F HN 0.121 nan 8.300 nan 0.000 0.584 410 A N 0.000 122.851 122.820 0.052 0.000 2.254 410 A HA 0.000 4.320 4.320 0.001 0.000 0.244 410 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 410 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 410 A HN 0.000 nan 8.150 nan 0.000 0.486