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 1epu_1_A DATA FIRST_RESID 2 DATA SEQUENCE ALKTAVHEKI XNDVVLAVKK NAEWKVLIVD QLSXRXVSAC CKXHEIXSEG DATA SEQUENCE ITLVEDINRR REPLPLLEAV YLITPTEESV KCLXADFQNP DNPQYRGAHI DATA SEQUENCE FFTEACPEEL FKELCKSTTA RFIKTLKEIN IAFLPYESQI FSLDSPDTFQ DATA SEQUENCE VYYNPSRAQG GIPNKERCAE QIATLCATLG EYPSVRYRSD FDENASFAQL DATA SEQUENCE VQQKLDAYRA DDPTXGEGPQ KDRSQLLILD RGFDPISPLL HELTFQAXAY DATA SEQUENCE DLLPIENDVY KYXXXXXXXX XXXEVLLDEK DDLWVEXRHQ HIAVVSQNVT DATA SEQUENCE KKLKQFADEK RXXXXXXXXG IKDLSQXLKK XPQYQKELSK YSTHLHLAED DATA SEQUENCE CXKQYQQHVD KLCKVEQDLA XGTDADGEKI RDHXRNIVPI LLDQKISAYD DATA SEQUENCE KIRIILLYII HKGGISEENL AKLVQHAHIP AEEKWIINDX QNLGVPIIQD DATA SEQUENCE GGRRKIPQPY HTHNRKERQA DHTYQXSRWT PYXKDIXEAA VEDKLDTRHY DATA SEQUENCE PFLNGGGXXX XXXXXXXXXX XXXXXXXXXX XXKSGPRLII FVVGGISYSE DATA SEQUENCE XRSAYEVTQT AKNNWEVILG STHILTPEGL LRDLRKISNP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.644 177.584 0.099 0.000 1.274 2 A CA 0.000 52.086 52.037 0.082 0.000 0.836 2 A CB 0.000 19.039 19.000 0.065 0.000 0.831 3 L N 0.998 122.284 121.223 0.104 0.000 2.397 3 L HA -0.359 3.981 4.340 0.001 0.000 0.225 3 L C 1.901 178.874 176.870 0.172 0.000 1.116 3 L CA 3.147 58.068 54.840 0.134 0.000 0.850 3 L CB -0.451 41.699 42.059 0.151 0.000 0.919 3 L HN 0.540 nan 8.230 nan 0.000 0.453 4 K N -1.740 118.757 120.400 0.161 0.000 2.148 4 K HA -0.144 4.177 4.320 0.001 0.000 0.204 4 K C 1.951 178.636 176.600 0.140 0.000 1.050 4 K CA 1.697 58.079 56.287 0.157 0.000 0.942 4 K CB -0.130 32.450 32.500 0.133 0.000 0.724 4 K HN 0.803 nan 8.250 nan 0.000 0.446 5 T N -2.297 112.326 114.554 0.115 0.000 2.978 5 T HA 0.091 4.442 4.350 0.001 0.000 0.262 5 T C 1.976 176.766 174.700 0.150 0.000 1.063 5 T CA 0.677 62.849 62.100 0.120 0.000 1.140 5 T CB -0.022 68.885 68.868 0.065 0.000 0.886 5 T HN 0.120 nan 8.240 nan 0.000 0.470 6 A N 1.298 124.192 122.820 0.123 0.000 1.933 6 A HA 0.065 4.386 4.320 0.001 0.000 0.218 6 A C 2.561 180.212 177.584 0.112 0.000 1.175 6 A CA 1.676 53.779 52.037 0.108 0.000 0.628 6 A CB -1.071 17.990 19.000 0.103 0.000 0.814 6 A HN 0.428 nan 8.150 nan 0.000 0.444 7 V N -0.725 119.268 119.914 0.133 0.000 2.307 7 V HA -0.253 3.867 4.120 0.001 0.000 0.245 7 V C 2.431 178.566 176.094 0.068 0.000 1.045 7 V CA 2.368 64.722 62.300 0.091 0.000 1.024 7 V CB -1.105 30.772 31.823 0.090 0.000 0.651 7 V HN 0.837 nan 8.190 nan 0.000 0.449 8 H N 0.707 119.787 119.070 0.017 0.000 2.353 8 H HA -0.191 4.366 4.556 0.001 0.000 0.298 8 H C 2.274 177.593 175.328 -0.014 0.000 1.103 8 H CA 2.141 58.187 56.048 -0.004 0.000 1.293 8 H CB 0.059 29.825 29.762 0.006 0.000 1.372 8 H HN 0.327 nan 8.280 nan 0.000 0.501 9 E N 0.678 120.910 120.200 0.053 0.000 2.110 9 E HA -0.134 4.217 4.350 0.001 0.000 0.193 9 E C 2.168 178.730 176.600 -0.063 0.000 0.988 9 E CA 1.081 57.476 56.400 -0.008 0.000 0.804 9 E CB -0.107 29.626 29.700 0.055 0.000 0.745 9 E HN 0.595 nan 8.360 nan 0.000 0.458 10 K N 0.011 120.386 120.400 -0.041 0.000 2.062 10 K HA -0.028 4.293 4.320 0.001 0.000 0.205 10 K C 1.319 177.848 176.600 -0.118 0.000 1.051 10 K CA 0.360 56.618 56.287 -0.049 0.000 0.941 10 K CB 0.083 32.578 32.500 -0.009 0.000 0.719 10 K HN 0.028 nan 8.250 nan 0.000 0.440 14 D N 0.828 121.161 120.400 -0.113 0.000 2.350 14 D HA 0.208 4.849 4.640 0.001 0.000 0.213 14 D C 1.409 177.576 176.300 -0.222 0.000 1.031 14 D CA 0.489 54.439 54.000 -0.083 0.000 0.861 14 D CB 1.544 42.329 40.800 -0.026 0.000 0.926 14 D HN 0.057 nan 8.370 nan 0.000 0.520 15 V N -0.320 119.358 119.914 -0.393 0.000 3.938 15 V HA -0.046 4.074 4.120 0.001 0.000 0.193 15 V C 2.295 178.093 176.094 -0.494 0.000 1.148 15 V CA -0.011 61.807 62.300 -0.804 0.000 1.354 15 V CB -0.211 31.139 31.823 -0.789 0.000 1.627 15 V HN -0.139 nan 8.190 nan 0.000 0.512 16 V N 0.694 120.400 119.914 -0.347 0.000 2.215 16 V HA -0.291 3.830 4.120 0.001 0.000 0.246 16 V C 2.384 178.378 176.094 -0.165 0.000 1.047 16 V CA 2.391 64.555 62.300 -0.227 0.000 0.999 16 V CB -0.849 30.860 31.823 -0.191 0.000 0.635 16 V HN 0.420 nan 8.190 nan 0.000 0.450 17 L N 0.404 121.543 121.223 -0.140 0.000 2.079 17 L HA -0.116 4.225 4.340 0.001 0.000 0.210 17 L C 2.582 179.406 176.870 -0.076 0.000 1.081 17 L CA 2.130 56.916 54.840 -0.091 0.000 0.752 17 L CB -1.390 40.623 42.059 -0.076 0.000 0.896 17 L HN 0.349 nan 8.230 nan 0.000 0.433 18 A N -1.440 121.327 122.820 -0.088 0.000 1.940 18 A HA -0.177 4.144 4.320 0.001 0.000 0.219 18 A C 2.437 180.004 177.584 -0.029 0.000 1.176 18 A CA 1.925 53.941 52.037 -0.034 0.000 0.631 18 A CB -0.826 18.176 19.000 0.003 0.000 0.814 18 A HN 0.234 nan 8.150 nan 0.000 0.446 19 V N -0.463 119.399 119.914 -0.086 0.000 3.406 19 V HA 0.074 4.194 4.120 0.001 0.000 0.263 19 V C 1.009 177.014 176.094 -0.148 0.000 1.172 19 V CA 0.588 62.779 62.300 -0.182 0.000 1.140 19 V CB -0.500 31.124 31.823 -0.332 0.000 0.784 19 V HN 0.491 nan 8.190 nan 0.000 0.467 20 K N 1.116 121.468 120.400 -0.080 0.000 2.262 20 K HA 0.129 4.450 4.320 0.001 0.000 0.288 20 K C 0.794 177.387 176.600 -0.012 0.000 1.090 20 K CA 0.025 56.291 56.287 -0.036 0.000 0.918 20 K CB 0.243 32.730 32.500 -0.022 0.000 1.139 20 K HN 0.262 nan 8.250 nan 0.000 0.462 21 K N 2.409 122.809 120.400 0.001 0.000 2.353 21 K HA 0.023 4.344 4.320 0.001 0.000 0.195 21 K C -0.337 176.274 176.600 0.019 0.000 1.031 21 K CA 0.161 56.456 56.287 0.013 0.000 1.079 21 K CB 0.242 32.756 32.500 0.024 0.000 0.857 21 K HN 0.708 nan 8.250 nan 0.000 0.535 22 N N -2.440 116.275 118.700 0.024 0.000 3.441 22 N HA 0.108 4.849 4.740 0.001 0.000 0.313 22 N C -0.645 174.892 175.510 0.044 0.000 1.526 22 N CA -0.498 52.567 53.050 0.025 0.000 0.871 22 N CB 0.227 38.723 38.487 0.015 0.000 1.779 22 N HN -0.197 nan 8.380 nan 0.000 0.529 23 A N -1.259 121.582 122.820 0.035 0.000 2.307 23 A HA 0.180 4.500 4.320 0.001 0.000 0.218 23 A C -0.086 177.530 177.584 0.054 0.000 1.228 23 A CA 0.032 52.116 52.037 0.077 0.000 0.857 23 A CB -0.566 18.464 19.000 0.050 0.000 0.897 23 A HN 0.431 nan 8.150 nan 0.000 0.495 24 E N 0.208 120.415 120.200 0.013 0.000 2.415 24 E HA -0.015 4.336 4.350 0.001 0.000 0.263 24 E C -0.453 176.291 176.600 0.241 0.000 0.995 24 E CA -0.021 56.368 56.400 -0.017 0.000 0.915 24 E CB 0.269 29.975 29.700 0.010 0.000 0.951 24 E HN 0.566 nan 8.360 nan 0.000 0.449 25 W N 2.563 123.873 121.300 0.017 0.000 2.170 25 W HA 0.057 4.718 4.660 0.001 0.000 0.342 25 W C 1.056 177.579 176.519 0.007 0.000 1.294 25 W CA -0.443 56.906 57.345 0.008 0.000 1.246 25 W CB 0.579 30.044 29.460 0.010 0.000 1.156 25 W HN 0.094 nan 8.180 nan 0.000 0.572 26 K N 0.934 121.468 120.400 0.224 0.000 2.482 26 K HA 0.520 4.841 4.320 0.001 0.000 0.257 26 K C -0.997 175.599 176.600 -0.007 0.000 0.969 26 K CA -1.054 55.288 56.287 0.091 0.000 0.842 26 K CB 2.436 34.974 32.500 0.063 0.000 1.359 26 K HN 0.309 nan 8.250 nan 0.000 0.441 27 V N -0.187 119.664 119.914 -0.106 0.000 2.495 27 V HA 0.563 4.683 4.120 0.001 0.000 0.298 27 V C -0.922 175.025 176.094 -0.245 0.000 1.031 27 V CA -1.002 61.188 62.300 -0.183 0.000 0.871 27 V CB 1.342 33.011 31.823 -0.258 0.000 0.988 27 V HN 0.613 nan 8.190 nan 0.000 0.432 28 L N 6.104 127.219 121.223 -0.180 0.000 2.257 28 L HA 0.670 5.010 4.340 0.001 0.000 0.290 28 L C -0.585 176.184 176.870 -0.168 0.000 1.044 28 L CA 0.015 54.756 54.840 -0.166 0.000 0.810 28 L CB 0.695 42.688 42.059 -0.110 0.000 1.193 28 L HN 0.699 nan 8.230 nan 0.000 0.425 29 I N 6.577 127.010 120.570 -0.228 0.000 2.321 29 I HA 0.475 4.645 4.170 0.001 0.000 0.291 29 I C 0.055 176.177 176.117 0.007 0.000 0.998 29 I CA -0.118 61.097 61.300 -0.142 0.000 1.227 29 I CB 1.488 39.316 38.000 -0.287 0.000 1.368 29 I HN 0.502 nan 8.210 nan 0.000 0.466 30 V N 2.195 122.134 119.914 0.042 0.000 3.164 30 V HA 0.892 5.012 4.120 0.001 0.000 0.313 30 V C -1.088 175.062 176.094 0.094 0.000 1.188 30 V CA -0.791 61.554 62.300 0.074 0.000 1.058 30 V CB 2.137 33.983 31.823 0.039 0.000 1.110 30 V HN 0.690 nan 8.190 nan 0.000 0.453 31 D N -0.907 119.551 120.400 0.096 0.000 2.450 31 D HA 0.367 5.007 4.640 0.001 0.000 0.238 31 D C 0.828 177.170 176.300 0.070 0.000 1.020 31 D CA -0.711 53.344 54.000 0.092 0.000 1.010 31 D CB 1.203 42.069 40.800 0.110 0.000 1.342 31 D HN 0.428 nan 8.370 nan 0.000 0.530 32 Q N -0.399 119.439 119.800 0.063 0.000 2.084 32 Q HA -0.223 4.117 4.340 0.001 0.000 0.215 32 Q C 1.723 177.755 176.000 0.053 0.000 1.020 32 Q CA 1.637 57.472 55.803 0.053 0.000 0.887 32 Q CB -0.605 28.164 28.738 0.051 0.000 0.975 32 Q HN 0.566 nan 8.270 nan 0.000 0.413 33 L N 1.182 122.440 121.223 0.059 0.000 2.005 33 L HA -0.081 4.260 4.340 0.001 0.000 0.207 33 L C 1.517 178.416 176.870 0.048 0.000 1.072 33 L CA 1.456 56.330 54.840 0.056 0.000 0.744 33 L CB -0.893 41.203 42.059 0.063 0.000 0.895 33 L HN 0.279 nan 8.230 nan 0.000 0.433 39 S N 1.526 117.245 115.700 0.032 0.000 2.356 39 S HA -0.159 4.312 4.470 0.001 0.000 0.223 39 S C 2.198 176.839 174.600 0.068 0.000 1.032 39 S CA 2.043 60.270 58.200 0.045 0.000 1.005 39 S CB -0.376 62.855 63.200 0.051 0.000 0.867 39 S HN 0.831 nan 8.310 nan 0.000 0.449 40 A N 1.085 123.960 122.820 0.092 0.000 1.892 40 A HA -0.232 4.089 4.320 0.001 0.000 0.218 40 A C 2.527 180.178 177.584 0.112 0.000 1.188 40 A CA 2.026 54.137 52.037 0.124 0.000 0.631 40 A CB -1.322 17.776 19.000 0.164 0.000 0.822 40 A HN 0.824 nan 8.150 nan 0.000 0.447 41 C N -3.759 115.603 119.300 0.104 0.000 2.634 41 C HA 0.509 4.970 4.460 0.001 0.000 0.268 41 C C 0.876 175.959 174.990 0.156 0.000 1.322 41 C CA -0.979 58.113 59.018 0.124 0.000 1.737 41 C CB -1.730 26.092 27.740 0.137 0.000 1.976 41 C HN 0.477 nan 8.230 nan 0.000 0.547 42 C N 2.171 121.537 119.300 0.110 0.000 2.441 42 C HA 0.566 5.026 4.460 0.001 0.000 0.318 42 C C 0.242 175.250 174.990 0.030 0.000 1.222 42 C CA -0.644 58.433 59.018 0.099 0.000 1.474 42 C CB 0.956 28.721 27.740 0.043 0.000 2.125 42 C HN 0.542 nan 8.230 nan 0.000 0.479 46 E N 1.417 121.301 120.200 -0.526 0.000 2.076 46 E HA 0.065 4.415 4.350 0.001 0.000 0.190 46 E C 0.860 177.366 176.600 -0.156 0.000 0.979 46 E CA 0.530 56.723 56.400 -0.345 0.000 0.807 46 E CB 0.679 30.219 29.700 -0.267 0.000 0.761 46 E HN 0.245 nan 8.360 nan 0.000 0.454 50 E N 1.488 121.663 120.200 -0.042 0.000 2.609 50 E HA 0.496 4.847 4.350 0.001 0.000 0.208 50 E C 1.131 177.724 176.600 -0.012 0.000 1.013 50 E CA 0.450 56.834 56.400 -0.026 0.000 1.093 50 E CB 0.394 30.065 29.700 -0.048 0.000 1.129 50 E HN 0.803 nan 8.360 nan 0.000 0.450 51 G N 0.636 109.433 108.800 -0.006 0.000 2.259 51 G HA2 -0.217 3.744 3.960 0.001 0.000 0.217 51 G HA3 -0.217 3.744 3.960 0.001 0.000 0.217 51 G C 0.274 175.174 174.900 -0.000 0.000 1.001 51 G CA -0.439 44.692 45.100 0.052 0.000 0.627 51 G HN 0.224 nan 8.290 nan 0.000 0.501 52 I N 2.407 122.939 120.570 -0.064 0.000 2.452 52 I HA 0.360 4.531 4.170 0.001 0.000 0.287 52 I C 1.511 177.540 176.117 -0.147 0.000 1.079 52 I CA 1.137 62.385 61.300 -0.086 0.000 1.387 52 I CB 0.779 38.723 38.000 -0.093 0.000 1.404 52 I HN 0.159 nan 8.210 nan 0.000 0.522 53 T N 6.449 120.909 114.554 -0.158 0.000 3.014 53 T HA 0.237 4.588 4.350 0.001 0.000 0.250 53 T C 0.047 174.656 174.700 -0.151 0.000 1.060 53 T CA 0.252 62.208 62.100 -0.240 0.000 1.040 53 T CB 0.148 68.806 68.868 -0.350 0.000 0.971 53 T HN 0.376 nan 8.240 nan 0.000 0.497 54 L N 0.958 122.120 121.223 -0.102 0.000 2.518 54 L HA 0.678 5.019 4.340 0.001 0.000 0.257 54 L C -1.920 174.907 176.870 -0.071 0.000 0.980 54 L CA -0.811 53.986 54.840 -0.072 0.000 0.837 54 L CB 2.266 44.299 42.059 -0.044 0.000 1.410 54 L HN -0.153 nan 8.230 nan 0.000 0.410 55 V N 3.681 123.563 119.914 -0.053 0.000 2.443 55 V HA 0.641 4.762 4.120 0.001 0.000 0.293 55 V C -0.673 175.406 176.094 -0.026 0.000 1.021 55 V CA -0.596 61.675 62.300 -0.049 0.000 0.848 55 V CB 1.382 33.181 31.823 -0.041 0.000 0.998 55 V HN 0.711 nan 8.190 nan 0.000 0.424 56 E N 2.178 122.364 120.200 -0.024 0.000 2.244 56 E HA 0.369 4.720 4.350 0.001 0.000 0.266 56 E C -1.099 175.517 176.600 0.026 0.000 0.914 56 E CA -0.723 55.682 56.400 0.009 0.000 0.794 56 E CB 2.713 32.432 29.700 0.032 0.000 1.210 56 E HN 0.646 nan 8.360 nan 0.000 0.414 57 D N 2.108 122.533 120.400 0.041 0.000 2.277 57 D HA 0.081 4.722 4.640 0.001 0.000 0.249 57 D C 1.016 177.366 176.300 0.084 0.000 1.134 57 D CA -0.220 53.814 54.000 0.057 0.000 0.863 57 D CB 0.993 41.822 40.800 0.048 0.000 1.143 57 D HN 0.491 nan 8.370 nan 0.000 0.458 58 I N 4.445 125.083 120.570 0.114 0.000 2.335 58 I HA -0.302 3.869 4.170 0.001 0.000 0.251 58 I C 1.514 177.708 176.117 0.128 0.000 1.129 58 I CA 0.885 62.283 61.300 0.162 0.000 1.402 58 I CB 0.139 38.270 38.000 0.219 0.000 1.069 58 I HN 0.364 nan 8.210 nan 0.000 0.424 59 N N 1.811 120.569 118.700 0.096 0.000 2.051 59 N HA -0.163 4.577 4.740 0.001 0.000 0.192 59 N C 0.681 176.226 175.510 0.060 0.000 1.049 59 N CA 1.134 54.229 53.050 0.074 0.000 0.845 59 N CB -0.484 38.040 38.487 0.062 0.000 1.031 59 N HN 0.460 nan 8.380 nan 0.000 0.425 60 R N 2.295 122.826 120.500 0.051 0.000 2.853 60 R HA 0.205 4.546 4.340 0.001 0.000 0.238 60 R C -0.169 176.155 176.300 0.039 0.000 1.538 60 R CA -0.465 55.658 56.100 0.038 0.000 1.166 60 R CB 0.006 30.325 30.300 0.031 0.000 1.201 60 R HN -0.096 nan 8.270 nan 0.000 0.606 61 R N 2.186 122.707 120.500 0.036 0.000 2.531 61 R HA -0.148 4.193 4.340 0.001 0.000 0.273 61 R C 0.027 176.338 176.300 0.019 0.000 0.974 61 R CA 0.775 56.891 56.100 0.027 0.000 1.088 61 R CB -0.167 30.136 30.300 0.004 0.000 0.880 61 R HN 0.701 nan 8.270 nan 0.000 0.426 62 R N 0.056 120.564 120.500 0.012 0.000 2.846 62 R HA 0.289 4.629 4.340 0.001 0.000 0.263 62 R C -0.732 175.554 176.300 -0.023 0.000 1.080 62 R CA -1.027 55.080 56.100 0.010 0.000 0.961 62 R CB 0.054 30.382 30.300 0.047 0.000 1.231 62 R HN 0.511 nan 8.270 nan 0.000 0.465 63 E N 1.001 121.194 120.200 -0.011 0.000 2.465 63 E HA 0.105 4.456 4.350 0.001 0.000 0.260 63 E C -1.970 174.590 176.600 -0.067 0.000 0.980 63 E CA -1.371 55.011 56.400 -0.031 0.000 0.927 63 E CB -0.384 29.314 29.700 -0.004 0.000 0.934 63 E HN 0.280 nan 8.360 nan 0.000 0.459 64 P HA 0.143 nan 4.420 nan 0.000 0.271 64 P C -0.518 176.705 177.300 -0.128 0.000 1.216 64 P CA -0.029 62.925 63.100 -0.243 0.000 0.771 64 P CB 0.443 32.005 31.700 -0.230 0.000 0.864 65 L N 5.596 126.750 121.223 -0.114 0.000 2.637 65 L HA 0.279 4.620 4.340 0.001 0.000 0.241 65 L C -1.765 175.164 176.870 0.099 0.000 1.398 65 L CA -1.407 53.482 54.840 0.083 0.000 0.895 65 L CB 1.436 43.646 42.059 0.251 0.000 1.183 65 L HN 0.220 nan 8.230 nan 0.000 0.497 66 P HA -0.158 nan 4.420 nan 0.000 0.222 66 P C 1.429 178.775 177.300 0.076 0.000 1.142 66 P CA 1.314 64.418 63.100 0.006 0.000 0.788 66 P CB 0.268 31.951 31.700 -0.029 0.000 0.767 67 L N -2.709 118.565 121.223 0.086 0.000 2.416 67 L HA 0.109 4.449 4.340 0.001 0.000 0.216 67 L C 0.999 177.937 176.870 0.112 0.000 1.098 67 L CA 0.204 55.095 54.840 0.085 0.000 0.840 67 L CB -0.224 41.871 42.059 0.059 0.000 0.981 67 L HN -0.049 nan 8.230 nan 0.000 0.462 68 L N -0.385 120.932 121.223 0.157 0.000 2.331 68 L HA 0.386 4.726 4.340 0.001 0.000 0.275 68 L C -0.020 176.957 176.870 0.178 0.000 1.022 68 L CA -0.672 54.265 54.840 0.162 0.000 0.812 68 L CB 1.626 43.784 42.059 0.165 0.000 1.257 68 L HN -0.006 nan 8.230 nan 0.000 0.435 69 E N 0.969 121.263 120.200 0.157 0.000 2.349 69 E HA 0.556 4.906 4.350 0.001 0.000 0.262 69 E C -0.594 176.031 176.600 0.042 0.000 1.088 69 E CA -0.552 55.946 56.400 0.163 0.000 0.899 69 E CB 1.606 31.443 29.700 0.228 0.000 1.044 69 E HN 0.664 nan 8.360 nan 0.000 0.420 70 A N 1.585 124.391 122.820 -0.024 0.000 2.350 70 A HA 0.479 4.800 4.320 0.001 0.000 0.324 70 A C -0.830 176.682 177.584 -0.121 0.000 1.118 70 A CA -0.679 51.152 52.037 -0.344 0.000 0.783 70 A CB 1.255 19.684 19.000 -0.951 0.000 1.236 70 A HN 0.337 nan 8.150 nan 0.000 0.457 71 V N 3.004 122.822 119.914 -0.161 0.000 2.328 71 V HA 0.240 4.361 4.120 0.001 0.000 0.278 71 V C -1.259 174.797 176.094 -0.062 0.000 1.021 71 V CA -0.187 62.151 62.300 0.064 0.000 0.838 71 V CB 0.128 31.983 31.823 0.054 0.000 0.999 71 V HN 0.725 nan 8.190 nan 0.000 0.447 72 Y N 5.349 125.736 120.300 0.145 0.000 2.454 72 Y HA 0.496 5.047 4.550 0.001 0.000 0.345 72 Y C -0.004 175.985 175.900 0.148 0.000 0.970 72 Y CA -0.634 57.527 58.100 0.102 0.000 1.204 72 Y CB 1.296 39.788 38.460 0.053 0.000 1.122 72 Y HN 0.514 nan 8.280 nan 0.000 0.514 73 L N 7.569 128.930 121.223 0.230 0.000 2.335 73 L HA 0.558 4.899 4.340 0.001 0.000 0.268 73 L C -0.831 176.152 176.870 0.188 0.000 1.037 73 L CA -0.612 54.344 54.840 0.193 0.000 0.895 73 L CB -0.324 41.775 42.059 0.066 0.000 1.266 73 L HN 0.517 nan 8.230 nan 0.000 0.439 74 I N 0.389 121.104 120.570 0.242 0.000 3.279 74 I HA 0.559 4.730 4.170 0.001 0.000 0.315 74 I C -0.612 175.684 176.117 0.299 0.000 1.187 74 I CA -0.596 60.852 61.300 0.246 0.000 0.953 74 I CB 1.620 39.779 38.000 0.264 0.000 1.279 74 I HN 0.256 nan 8.210 nan 0.000 0.465 75 T N 4.656 119.344 114.554 0.223 0.000 2.794 75 T HA 0.344 4.695 4.350 0.001 0.000 0.296 75 T C -2.295 172.501 174.700 0.161 0.000 0.949 75 T CA -0.801 61.404 62.100 0.175 0.000 1.101 75 T CB 0.348 69.283 68.868 0.112 0.000 0.905 75 T HN 0.481 nan 8.240 nan 0.000 0.516 76 P HA 0.067 nan 4.420 nan 0.000 0.238 76 P C -0.089 177.143 177.300 -0.113 0.000 1.729 76 P CA 0.043 62.992 63.100 -0.251 0.000 1.055 76 P CB -0.313 30.953 31.700 -0.722 0.000 1.980 77 T N -0.002 114.552 114.554 0.001 0.000 2.944 77 T HA 0.127 4.478 4.350 0.001 0.000 0.284 77 T C 1.376 176.088 174.700 0.020 0.000 1.010 77 T CA -0.314 61.795 62.100 0.014 0.000 1.025 77 T CB 1.472 70.367 68.868 0.045 0.000 1.079 77 T HN 0.049 nan 8.240 nan 0.000 0.516 78 E N 1.481 121.692 120.200 0.018 0.000 2.033 78 E HA -0.141 4.210 4.350 0.001 0.000 0.199 78 E C 1.745 178.366 176.600 0.035 0.000 1.011 78 E CA 2.128 58.541 56.400 0.021 0.000 0.815 78 E CB -0.076 29.635 29.700 0.019 0.000 0.755 78 E HN 0.735 nan 8.360 nan 0.000 0.451 79 E N -0.237 119.988 120.200 0.042 0.000 2.012 79 E HA -0.239 4.112 4.350 0.001 0.000 0.211 79 E C 2.204 178.844 176.600 0.068 0.000 1.029 79 E CA 1.600 58.031 56.400 0.051 0.000 0.867 79 E CB -0.359 29.374 29.700 0.055 0.000 0.790 79 E HN 0.155 nan 8.360 nan 0.000 0.482 80 S N 0.422 116.173 115.700 0.086 0.000 2.393 80 S HA -0.241 4.230 4.470 0.001 0.000 0.235 80 S C 2.182 176.851 174.600 0.115 0.000 1.061 80 S CA 1.761 60.032 58.200 0.119 0.000 1.129 80 S CB -0.640 62.650 63.200 0.150 0.000 1.011 80 S HN 0.111 nan 8.310 nan 0.000 0.436 81 V N 2.117 122.095 119.914 0.108 0.000 2.568 81 V HA -0.186 3.935 4.120 0.001 0.000 0.253 81 V C 2.390 178.520 176.094 0.059 0.000 1.072 81 V CA 1.489 63.848 62.300 0.097 0.000 1.084 81 V CB -0.619 31.252 31.823 0.079 0.000 0.676 81 V HN 0.345 nan 8.190 nan 0.000 0.469 82 K N -0.185 120.247 120.400 0.054 0.000 2.007 82 K HA -0.088 4.233 4.320 0.001 0.000 0.206 82 K C 2.260 178.890 176.600 0.051 0.000 1.047 82 K CA 1.716 58.029 56.287 0.043 0.000 0.937 82 K CB -1.072 31.451 32.500 0.038 0.000 0.718 82 K HN 0.511 nan 8.250 nan 0.000 0.438 83 C N 1.759 121.099 119.300 0.067 0.000 2.403 83 C HA -0.064 4.397 4.460 0.001 0.000 0.277 83 C C 2.120 177.169 174.990 0.098 0.000 1.248 83 C CA -0.265 58.803 59.018 0.084 0.000 1.762 83 C CB -0.929 26.878 27.740 0.111 0.000 2.014 83 C HN 0.391 nan 8.230 nan 0.000 0.486 87 D N -0.119 120.279 120.400 -0.004 0.000 2.178 87 D HA -0.018 4.623 4.640 0.001 0.000 0.201 87 D C 0.286 176.279 176.300 -0.511 0.000 0.980 87 D CA 1.386 55.256 54.000 -0.217 0.000 0.842 87 D CB -0.166 40.589 40.800 -0.074 0.000 0.948 87 D HN 0.486 nan 8.370 nan 0.000 0.472 88 F N 0.300 120.159 119.950 -0.152 0.000 2.908 88 F HA 0.212 4.740 4.527 0.001 0.000 0.328 88 F C 1.702 177.432 175.800 -0.117 0.000 1.211 88 F CA -0.473 57.369 58.000 -0.263 0.000 1.291 88 F CB 0.001 38.806 39.000 -0.325 0.000 0.962 88 F HN -0.203 nan 8.300 nan 0.000 0.505 89 Q N 1.971 121.785 119.800 0.022 0.000 2.488 89 Q HA -0.058 4.282 4.340 0.001 0.000 0.211 89 Q C -0.501 175.520 176.000 0.034 0.000 0.967 89 Q CA 0.806 56.629 55.803 0.033 0.000 0.926 89 Q CB 0.078 28.816 28.738 0.001 0.000 0.992 89 Q HN 0.503 nan 8.270 nan 0.000 0.506 90 N N -1.376 117.337 118.700 0.022 0.000 4.383 90 N HA 0.186 4.926 4.740 0.001 0.000 0.183 90 N C -3.301 172.230 175.510 0.035 0.000 1.040 90 N CA -1.162 51.914 53.050 0.043 0.000 1.126 90 N CB 0.245 38.740 38.487 0.013 0.000 1.593 90 N HN -0.201 nan 8.380 nan 0.000 0.856 91 P HA 0.110 nan 4.420 nan 0.000 0.269 91 P C 0.270 177.608 177.300 0.063 0.000 1.205 91 P CA 0.747 63.949 63.100 0.171 0.000 0.780 91 P CB 0.333 32.168 31.700 0.226 0.000 0.858 92 D N -0.462 119.973 120.400 0.059 0.000 2.946 92 D HA -0.199 4.442 4.640 0.001 0.000 0.202 92 D C 0.603 176.879 176.300 -0.040 0.000 1.068 92 D CA 1.696 55.705 54.000 0.015 0.000 1.011 92 D CB -1.660 39.151 40.800 0.019 0.000 1.105 92 D HN 0.450 nan 8.370 nan 0.000 0.425 93 N N -0.932 117.718 118.700 -0.084 0.000 2.159 93 N HA 0.224 4.965 4.740 0.001 0.000 0.217 93 N C -2.509 172.838 175.510 -0.271 0.000 1.223 93 N CA -0.466 52.496 53.050 -0.146 0.000 0.896 93 N CB 0.412 38.823 38.487 -0.127 0.000 1.064 93 N HN 0.065 nan 8.380 nan 0.000 0.518 94 P HA -0.119 nan 4.420 nan 0.000 0.255 94 P C 0.404 177.303 177.300 -0.669 0.000 1.132 94 P CA 0.573 63.318 63.100 -0.591 0.000 0.766 94 P CB 0.443 31.908 31.700 -0.391 0.000 0.715 95 Q N 3.282 122.492 119.800 -0.984 0.000 2.181 95 Q HA -0.151 4.190 4.340 0.001 0.000 0.205 95 Q C -0.161 175.038 176.000 -1.335 0.000 0.980 95 Q CA 1.892 57.023 55.803 -1.120 0.000 0.862 95 Q CB -0.072 27.909 28.738 -1.261 0.000 0.905 95 Q HN 0.578 nan 8.270 nan 0.000 0.429 96 Y N -2.773 117.239 120.300 -0.480 0.000 2.677 96 Y HA 0.294 4.845 4.550 0.001 0.000 0.334 96 Y C 0.822 176.718 175.900 -0.008 0.000 1.154 96 Y CA -1.074 56.939 58.100 -0.145 0.000 1.070 96 Y CB 0.784 39.258 38.460 0.025 0.000 1.294 96 Y HN -0.207 nan 8.280 nan 0.000 0.475 97 R N 0.311 120.993 120.500 0.303 0.000 2.200 97 R HA 0.459 4.800 4.340 0.001 0.000 0.208 97 R C 0.118 176.668 176.300 0.418 0.000 1.033 97 R CA 0.996 57.278 56.100 0.303 0.000 1.000 97 R CB 0.208 30.634 30.300 0.209 0.000 0.906 97 R HN 0.737 nan 8.270 nan 0.000 0.462 98 G N -0.541 108.502 108.800 0.405 0.000 2.698 98 G HA2 0.616 4.577 3.960 0.001 0.000 0.293 98 G HA3 0.616 4.577 3.960 0.001 0.000 0.293 98 G C -1.963 173.021 174.900 0.140 0.000 1.437 98 G CA -0.481 44.760 45.100 0.236 0.000 0.852 98 G HN 0.276 nan 8.290 nan 0.000 0.499 99 A N 1.013 123.753 122.820 -0.133 0.000 2.353 99 A HA 0.748 5.068 4.320 0.001 0.000 0.299 99 A C -1.038 176.392 177.584 -0.258 0.000 1.089 99 A CA -0.704 51.289 52.037 -0.074 0.000 0.736 99 A CB 1.000 19.881 19.000 -0.198 0.000 1.195 99 A HN 0.689 nan 8.150 nan 0.000 0.447 100 H N 2.912 122.059 119.070 0.128 0.000 2.581 100 H HA 0.408 4.965 4.556 0.001 0.000 0.308 100 H C -0.818 174.519 175.328 0.014 0.000 1.040 100 H CA -0.084 55.980 56.048 0.025 0.000 1.231 100 H CB 1.089 30.970 29.762 0.198 0.000 1.396 100 H HN 0.526 nan 8.280 nan 0.000 0.467 101 I N 4.152 124.580 120.570 -0.237 0.000 2.354 101 I HA 0.198 4.369 4.170 0.001 0.000 0.292 101 I C -0.591 175.115 176.117 -0.685 0.000 0.989 101 I CA -0.471 60.625 61.300 -0.341 0.000 1.188 101 I CB 0.793 38.481 38.000 -0.520 0.000 1.342 101 I HN 0.288 nan 8.210 nan 0.000 0.457 102 F N 6.095 125.932 119.950 -0.189 0.000 2.500 102 F HA 0.434 4.962 4.527 0.001 0.000 0.349 102 F C -0.396 175.366 175.800 -0.063 0.000 1.127 102 F CA -0.533 57.399 58.000 -0.112 0.000 0.998 102 F CB 0.901 39.891 39.000 -0.016 0.000 1.237 102 F HN 0.169 nan 8.300 nan 0.000 0.439 103 F N 1.781 121.838 119.950 0.177 0.000 2.438 103 F HA 0.213 4.741 4.527 0.001 0.000 0.356 103 F C 1.708 177.586 175.800 0.129 0.000 1.099 103 F CA -0.349 57.732 58.000 0.134 0.000 1.185 103 F CB 0.984 40.039 39.000 0.093 0.000 1.115 103 F HN 0.454 nan 8.300 nan 0.000 0.526 104 T N 1.781 116.529 114.554 0.323 0.000 2.849 104 T HA -0.123 4.228 4.350 0.001 0.000 0.270 104 T C 0.324 175.121 174.700 0.162 0.000 1.066 104 T CA 1.463 63.675 62.100 0.187 0.000 1.130 104 T CB -0.382 68.568 68.868 0.136 0.000 0.864 104 T HN 0.725 nan 8.240 nan 0.000 0.481 105 E N -0.719 119.583 120.200 0.170 0.000 2.454 105 E HA 0.668 5.018 4.350 0.001 0.000 0.279 105 E C -1.163 175.481 176.600 0.074 0.000 1.029 105 E CA -1.332 55.145 56.400 0.128 0.000 0.831 105 E CB 1.086 30.847 29.700 0.102 0.000 1.405 105 E HN -0.007 nan 8.360 nan 0.000 0.463 106 A N 0.439 123.286 122.820 0.045 0.000 2.603 106 A HA 0.073 4.394 4.320 0.001 0.000 0.235 106 A C 0.138 177.649 177.584 -0.121 0.000 1.035 106 A CA 0.087 52.103 52.037 -0.034 0.000 0.755 106 A CB -0.250 18.730 19.000 -0.035 0.000 0.954 106 A HN 0.637 nan 8.150 nan 0.000 0.511 107 C N 5.247 124.420 119.300 -0.212 0.000 2.307 107 C HA 0.609 5.069 4.460 0.001 0.000 0.340 107 C C -2.275 172.607 174.990 -0.180 0.000 1.275 107 C CA -2.027 56.793 59.018 -0.330 0.000 1.811 107 C CB -0.050 27.359 27.740 -0.552 0.000 2.372 107 C HN 0.780 nan 8.230 nan 0.000 0.531 108 P HA 0.084 nan 4.420 nan 0.000 0.263 108 P C 0.480 177.772 177.300 -0.013 0.000 1.195 108 P CA 0.521 63.583 63.100 -0.063 0.000 0.762 108 P CB 0.390 32.062 31.700 -0.047 0.000 0.799 109 E N 2.570 122.766 120.200 -0.006 0.000 2.267 109 E HA -0.266 4.085 4.350 0.001 0.000 0.197 109 E C 1.538 178.196 176.600 0.096 0.000 0.998 109 E CA 1.227 57.665 56.400 0.063 0.000 0.830 109 E CB 0.021 29.731 29.700 0.018 0.000 0.751 109 E HN 0.689 nan 8.360 nan 0.000 0.491 110 E N 1.331 121.558 120.200 0.044 0.000 2.038 110 E HA -0.207 4.144 4.350 0.001 0.000 0.195 110 E C 2.063 178.686 176.600 0.039 0.000 1.000 110 E CA 1.096 57.517 56.400 0.034 0.000 0.803 110 E CB -0.500 29.208 29.700 0.014 0.000 0.750 110 E HN 0.216 nan 8.360 nan 0.000 0.448 111 L N -0.566 120.676 121.223 0.033 0.000 2.109 111 L HA -0.038 4.303 4.340 0.001 0.000 0.207 111 L C 2.499 179.400 176.870 0.051 0.000 1.086 111 L CA 0.714 55.568 54.840 0.022 0.000 0.760 111 L CB -0.333 41.717 42.059 -0.014 0.000 0.910 111 L HN 0.126 nan 8.230 nan 0.000 0.437 112 F N 1.539 121.458 119.950 -0.051 0.000 2.091 112 F HA -0.329 4.198 4.527 0.001 0.000 0.299 112 F C 2.616 178.415 175.800 -0.000 0.000 1.103 112 F CA 2.138 60.128 58.000 -0.017 0.000 1.228 112 F CB -0.141 38.844 39.000 -0.025 0.000 0.984 112 F HN -0.101 nan 8.300 nan 0.000 0.477 113 K N 0.620 121.055 120.400 0.058 0.000 2.026 113 K HA -0.230 4.091 4.320 0.001 0.000 0.208 113 K C 2.043 178.595 176.600 -0.079 0.000 1.048 113 K CA 1.828 58.101 56.287 -0.023 0.000 0.929 113 K CB -0.610 31.915 32.500 0.041 0.000 0.713 113 K HN 0.274 nan 8.250 nan 0.000 0.439 114 E N 0.326 120.500 120.200 -0.043 0.000 2.026 114 E HA -0.234 4.117 4.350 0.001 0.000 0.206 114 E C 1.882 178.438 176.600 -0.075 0.000 1.028 114 E CA 1.919 58.294 56.400 -0.041 0.000 0.845 114 E CB -0.720 28.970 29.700 -0.017 0.000 0.772 114 E HN 0.271 nan 8.360 nan 0.000 0.462 115 L N 0.389 121.554 121.223 -0.097 0.000 1.997 115 L HA -0.244 4.097 4.340 0.001 0.000 0.216 115 L C 2.346 179.107 176.870 -0.181 0.000 1.074 115 L CA 2.199 56.967 54.840 -0.121 0.000 0.763 115 L CB -0.906 41.085 42.059 -0.113 0.000 0.890 115 L HN 0.424 nan 8.230 nan 0.000 0.434 116 C N -0.148 118.970 119.300 -0.303 0.000 2.413 116 C HA -0.084 4.376 4.460 0.001 0.000 0.292 116 C C 2.222 177.116 174.990 -0.160 0.000 1.435 116 C CA 0.613 59.454 59.018 -0.294 0.000 1.791 116 C CB -1.327 26.165 27.740 -0.415 0.000 1.784 116 C HN 0.461 nan 8.230 nan 0.000 0.548 117 K N 0.102 120.434 120.400 -0.113 0.000 2.402 117 K HA 0.212 4.533 4.320 0.001 0.000 0.204 117 K C 0.656 177.231 176.600 -0.042 0.000 1.056 117 K CA 0.127 56.373 56.287 -0.067 0.000 1.069 117 K CB 0.264 32.734 32.500 -0.050 0.000 0.888 117 K HN 0.313 nan 8.250 nan 0.000 0.546 118 S N 1.201 116.876 115.700 -0.042 0.000 2.617 118 S HA 0.026 4.497 4.470 0.001 0.000 0.259 118 S C 1.256 175.870 174.600 0.023 0.000 1.301 118 S CA 0.075 58.272 58.200 -0.005 0.000 0.984 118 S CB 0.852 64.051 63.200 -0.001 0.000 0.954 118 S HN 0.396 nan 8.310 nan 0.000 0.572 119 T N -1.575 113.023 114.554 0.074 0.000 3.284 119 T HA 0.019 4.370 4.350 0.001 0.000 0.252 119 T C 1.016 175.878 174.700 0.271 0.000 1.144 119 T CA 0.464 62.649 62.100 0.142 0.000 1.021 119 T CB -0.538 68.435 68.868 0.174 0.000 0.984 119 T HN 0.479 nan 8.240 nan 0.000 0.545 120 T N 1.007 115.658 114.554 0.163 0.000 3.057 120 T HA 0.386 4.737 4.350 0.001 0.000 0.254 120 T C 2.355 177.066 174.700 0.018 0.000 1.094 120 T CA 0.419 62.606 62.100 0.145 0.000 1.088 120 T CB -0.203 68.657 68.868 -0.012 0.000 0.934 120 T HN 0.560 nan 8.240 nan 0.000 0.497 121 A N 3.124 125.921 122.820 -0.038 0.000 1.940 121 A HA -0.162 4.159 4.320 0.001 0.000 0.219 121 A C 2.373 179.868 177.584 -0.148 0.000 1.176 121 A CA 1.236 53.207 52.037 -0.111 0.000 0.631 121 A CB -0.335 18.599 19.000 -0.110 0.000 0.814 121 A HN 0.440 nan 8.150 nan 0.000 0.446 122 R N -0.972 119.404 120.500 -0.206 0.000 2.235 122 R HA 0.008 4.348 4.340 0.001 0.000 0.213 122 R C 0.955 176.963 176.300 -0.488 0.000 1.059 122 R CA 1.228 57.102 56.100 -0.377 0.000 0.997 122 R CB -1.023 28.969 30.300 -0.513 0.000 0.884 122 R HN 0.521 nan 8.270 nan 0.000 0.462 123 F N 1.181 121.026 119.950 -0.174 0.000 2.746 123 F HA 0.361 4.889 4.527 0.001 0.000 0.297 123 F C 1.023 176.631 175.800 -0.320 0.000 1.113 123 F CA -0.509 57.355 58.000 -0.227 0.000 1.367 123 F CB 0.092 38.889 39.000 -0.339 0.000 1.111 123 F HN -0.219 nan 8.300 nan 0.000 0.590 124 I N 2.422 122.887 120.570 -0.175 0.000 2.494 124 I HA -0.006 4.165 4.170 0.001 0.000 0.289 124 I C 0.902 176.918 176.117 -0.169 0.000 1.106 124 I CA 0.136 61.308 61.300 -0.214 0.000 1.369 124 I CB 0.600 38.477 38.000 -0.205 0.000 1.410 124 I HN 0.037 nan 8.210 nan 0.000 0.523 125 K N 3.978 124.256 120.400 -0.202 0.000 2.354 125 K HA 0.247 4.567 4.320 0.001 0.000 0.194 125 K C -0.037 176.562 176.600 -0.002 0.000 1.038 125 K CA 0.349 56.568 56.287 -0.113 0.000 1.052 125 K CB 0.695 33.098 32.500 -0.161 0.000 0.861 125 K HN 0.526 nan 8.250 nan 0.000 0.535 126 T N 1.058 115.577 114.554 -0.058 0.000 3.193 126 T HA 0.418 4.769 4.350 0.001 0.000 0.332 126 T C -1.684 172.841 174.700 -0.291 0.000 1.208 126 T CA -0.627 61.415 62.100 -0.096 0.000 1.080 126 T CB 1.769 70.639 68.868 0.004 0.000 1.180 126 T HN -0.068 nan 8.240 nan 0.000 0.469 127 L N 3.267 124.324 121.223 -0.277 0.000 2.504 127 L HA 0.682 5.023 4.340 0.001 0.000 0.265 127 L C -1.134 175.612 176.870 -0.207 0.000 0.975 127 L CA -0.121 54.555 54.840 -0.275 0.000 0.864 127 L CB 1.018 43.014 42.059 -0.105 0.000 1.212 127 L HN 0.625 nan 8.230 nan 0.000 0.416 128 K N 2.943 123.166 120.400 -0.294 0.000 2.469 128 K HA 0.614 4.935 4.320 0.001 0.000 0.268 128 K C -1.267 175.364 176.600 0.052 0.000 1.027 128 K CA -0.938 55.294 56.287 -0.092 0.000 0.893 128 K CB 2.407 34.874 32.500 -0.056 0.000 1.460 128 K HN 0.375 nan 8.250 nan 0.000 0.449 129 E N 1.817 122.095 120.200 0.129 0.000 2.235 129 E HA 0.169 4.520 4.350 0.001 0.000 0.252 129 E C 0.351 177.059 176.600 0.180 0.000 0.886 129 E CA -0.146 56.369 56.400 0.192 0.000 0.767 129 E CB 0.931 30.714 29.700 0.137 0.000 1.205 129 E HN 0.555 nan 8.360 nan 0.000 0.421 130 I N -0.430 120.270 120.570 0.217 0.000 3.059 130 I HA 0.104 4.275 4.170 0.001 0.000 0.270 130 I C -0.187 176.020 176.117 0.151 0.000 1.238 130 I CA -0.242 61.165 61.300 0.177 0.000 1.478 130 I CB 0.036 38.131 38.000 0.159 0.000 1.097 130 I HN 0.323 nan 8.210 nan 0.000 0.455 131 N N 2.972 121.773 118.700 0.168 0.000 2.537 131 N HA -0.156 4.585 4.740 0.001 0.000 0.286 131 N C -0.724 174.866 175.510 0.134 0.000 1.245 131 N CA 0.867 54.028 53.050 0.186 0.000 0.704 131 N CB -0.944 37.712 38.487 0.283 0.000 0.910 131 N HN 0.575 nan 8.380 nan 0.000 0.542 132 I N 0.244 120.849 120.570 0.060 0.000 2.769 132 I HA 0.223 4.393 4.170 0.001 0.000 0.272 132 I C -0.004 176.008 176.117 -0.175 0.000 1.408 132 I CA -0.239 60.987 61.300 -0.124 0.000 0.925 132 I CB 1.181 39.062 38.000 -0.199 0.000 1.407 132 I HN 0.417 nan 8.210 nan 0.000 0.550 133 A N 5.983 128.802 122.820 -0.002 0.000 3.290 133 A HA 0.728 5.049 4.320 0.001 0.000 0.297 133 A C -0.430 177.275 177.584 0.203 0.000 1.285 133 A CA -0.216 51.865 52.037 0.074 0.000 1.060 133 A CB -0.495 18.586 19.000 0.135 0.000 1.114 133 A HN 0.562 nan 8.150 nan 0.000 0.601 134 F N -1.914 118.089 119.950 0.087 0.000 2.770 134 F HA 0.642 5.169 4.527 0.001 0.000 0.313 134 F C -1.680 174.211 175.800 0.152 0.000 1.154 134 F CA -1.638 56.447 58.000 0.141 0.000 0.923 134 F CB 0.830 39.906 39.000 0.128 0.000 1.301 134 F HN -0.158 nan 8.300 nan 0.000 0.449 135 L N 2.128 123.584 121.223 0.388 0.000 2.282 135 L HA 0.442 4.783 4.340 0.001 0.000 0.288 135 L C -2.430 174.738 176.870 0.497 0.000 1.033 135 L CA -1.868 53.142 54.840 0.283 0.000 0.807 135 L CB 1.067 43.259 42.059 0.222 0.000 1.209 135 L HN 0.435 nan 8.230 nan 0.000 0.423 136 P HA 0.046 nan 4.420 nan 0.000 0.218 136 P C 0.830 178.374 177.300 0.406 0.000 1.793 136 P CA -0.311 63.062 63.100 0.456 0.000 0.941 136 P CB -0.225 31.672 31.700 0.328 0.000 1.919 137 Y N 1.898 122.361 120.300 0.272 0.000 2.096 137 Y HA -0.243 4.308 4.550 0.001 0.000 0.276 137 Y C 0.598 176.634 175.900 0.226 0.000 1.209 137 Y CA 1.525 59.756 58.100 0.218 0.000 1.137 137 Y CB 0.074 38.641 38.460 0.179 0.000 0.956 137 Y HN 0.223 nan 8.280 nan 0.000 0.506 138 E N -2.668 117.665 120.200 0.222 0.000 2.449 138 E HA 0.200 4.551 4.350 0.001 0.000 0.278 138 E C 0.587 177.320 176.600 0.221 0.000 0.992 138 E CA 0.237 56.722 56.400 0.141 0.000 0.807 138 E CB 1.491 31.254 29.700 0.105 0.000 1.350 138 E HN -0.062 nan 8.360 nan 0.000 0.462 139 S N 0.107 115.939 115.700 0.221 0.000 2.571 139 S HA -0.166 4.304 4.470 0.001 0.000 0.245 139 S C 0.798 175.503 174.600 0.175 0.000 0.976 139 S CA 1.163 59.486 58.200 0.204 0.000 0.954 139 S CB -0.075 63.242 63.200 0.194 0.000 0.756 139 S HN 0.468 nan 8.310 nan 0.000 0.535 140 Q N -1.003 118.886 119.800 0.149 0.000 1.988 140 Q HA 0.387 4.727 4.340 0.001 0.000 0.202 140 Q C -1.083 174.925 176.000 0.013 0.000 0.760 140 Q CA -0.058 55.733 55.803 -0.021 0.000 0.940 140 Q CB 0.810 29.303 28.738 -0.408 0.000 1.214 140 Q HN 0.488 nan 8.270 nan 0.000 0.432 141 I N 1.390 122.040 120.570 0.132 0.000 2.465 141 I HA 0.362 4.533 4.170 0.001 0.000 0.291 141 I C -0.711 175.590 176.117 0.307 0.000 1.014 141 I CA -0.904 60.475 61.300 0.133 0.000 1.093 141 I CB 1.300 39.386 38.000 0.143 0.000 1.267 141 I HN -0.054 nan 8.210 nan 0.000 0.431 142 F N 3.407 123.448 119.950 0.150 0.000 2.563 142 F HA 0.890 5.418 4.527 0.001 0.000 0.316 142 F C -0.321 175.589 175.800 0.184 0.000 1.076 142 F CA -0.879 57.249 58.000 0.214 0.000 0.921 142 F CB 1.765 40.828 39.000 0.106 0.000 1.209 142 F HN 0.352 nan 8.300 nan 0.000 0.462 143 S N 2.388 118.322 115.700 0.390 0.000 2.566 143 S HA 0.620 5.091 4.470 0.001 0.000 0.298 143 S C -0.179 174.645 174.600 0.372 0.000 1.083 143 S CA -0.840 57.487 58.200 0.211 0.000 0.978 143 S CB 1.486 64.694 63.200 0.014 0.000 1.073 143 S HN 0.856 nan 8.310 nan 0.000 0.491 144 L N 1.972 123.387 121.223 0.320 0.000 2.640 144 L HA 0.363 4.703 4.340 0.001 0.000 0.230 144 L C 0.097 177.091 176.870 0.206 0.000 1.123 144 L CA 0.039 55.073 54.840 0.324 0.000 0.900 144 L CB -0.563 41.713 42.059 0.363 0.000 1.146 144 L HN 0.766 nan 8.230 nan 0.000 0.484 145 D N 0.767 121.259 120.400 0.154 0.000 2.706 145 D HA -0.231 4.409 4.640 0.001 0.000 0.230 145 D C 0.559 176.909 176.300 0.083 0.000 1.184 145 D CA 0.849 54.907 54.000 0.096 0.000 0.628 145 D CB -0.365 40.481 40.800 0.077 0.000 1.019 145 D HN 0.194 nan 8.370 nan 0.000 0.415 146 S N -0.463 115.297 115.700 0.100 0.000 2.143 146 S HA 0.316 4.786 4.470 0.001 0.000 0.188 146 S C -1.479 173.098 174.600 -0.039 0.000 1.431 146 S CA -1.138 57.099 58.200 0.061 0.000 1.253 146 S CB 0.714 63.988 63.200 0.124 0.000 1.137 146 S HN 0.035 nan 8.310 nan 0.000 0.457 147 P HA -0.088 nan 4.420 nan 0.000 0.225 147 P C 0.855 178.005 177.300 -0.250 0.000 1.148 147 P CA 0.898 63.616 63.100 -0.637 0.000 0.779 147 P CB 0.103 31.395 31.700 -0.679 0.000 0.780 148 D N -0.288 120.063 120.400 -0.082 0.000 2.264 148 D HA -0.104 4.537 4.640 0.001 0.000 0.208 148 D C 1.568 177.911 176.300 0.071 0.000 0.966 148 D CA 1.146 55.154 54.000 0.012 0.000 0.864 148 D CB -0.491 40.323 40.800 0.024 0.000 0.933 148 D HN 0.004 nan 8.370 nan 0.000 0.499 149 T N -0.402 114.189 114.554 0.062 0.000 2.849 149 T HA -0.148 4.203 4.350 0.001 0.000 0.270 149 T C 1.450 176.202 174.700 0.086 0.000 1.066 149 T CA 0.713 62.857 62.100 0.074 0.000 1.130 149 T CB -0.456 68.451 68.868 0.066 0.000 0.864 149 T HN 0.256 nan 8.240 nan 0.000 0.481 150 F N 2.399 122.348 119.950 -0.002 0.000 2.102 150 F HA -0.156 4.372 4.527 0.001 0.000 0.298 150 F C 2.387 178.266 175.800 0.132 0.000 1.105 150 F CA 1.236 59.301 58.000 0.107 0.000 1.239 150 F CB -0.298 38.805 39.000 0.173 0.000 0.991 150 F HN -0.013 nan 8.300 nan 0.000 0.474 151 Q N 0.494 120.533 119.800 0.398 0.000 2.061 151 Q HA -0.145 4.196 4.340 0.001 0.000 0.204 151 Q C 2.586 178.657 176.000 0.117 0.000 0.984 151 Q CA 1.840 57.807 55.803 0.274 0.000 0.846 151 Q CB -1.440 27.414 28.738 0.194 0.000 0.902 151 Q HN 0.411 nan 8.270 nan 0.000 0.421 152 V N 0.229 120.193 119.914 0.083 0.000 2.252 152 V HA -0.284 3.837 4.120 0.001 0.000 0.249 152 V C 2.115 178.206 176.094 -0.006 0.000 1.056 152 V CA 1.991 64.320 62.300 0.048 0.000 1.022 152 V CB -0.759 31.108 31.823 0.072 0.000 0.641 152 V HN 0.238 nan 8.190 nan 0.000 0.445 153 Y N -1.154 118.966 120.300 -0.300 0.000 2.314 153 Y HA -0.123 4.428 4.550 0.001 0.000 0.293 153 Y C 2.115 177.650 175.900 -0.608 0.000 1.129 153 Y CA 1.472 59.244 58.100 -0.546 0.000 1.201 153 Y CB 0.020 37.906 38.460 -0.958 0.000 0.999 153 Y HN 0.326 nan 8.280 nan 0.000 0.541 154 Y N -2.321 117.962 120.300 -0.028 0.000 2.442 154 Y HA 0.194 4.744 4.550 0.001 0.000 0.250 154 Y C 0.514 176.411 175.900 -0.004 0.000 1.113 154 Y CA -0.525 57.526 58.100 -0.083 0.000 1.273 154 Y CB -0.035 38.200 38.460 -0.375 0.000 1.138 154 Y HN -0.139 nan 8.280 nan 0.000 0.522 155 N N 1.568 120.348 118.700 0.133 0.000 2.437 155 N HA 0.171 4.911 4.740 0.001 0.000 0.259 155 N C -2.256 173.287 175.510 0.055 0.000 0.983 155 N CA -2.183 50.932 53.050 0.109 0.000 0.937 155 N CB 1.884 40.439 38.487 0.114 0.000 1.122 155 N HN -0.083 nan 8.380 nan 0.000 0.499 156 P HA -0.145 nan 4.420 nan 0.000 0.216 156 P C 1.390 178.694 177.300 0.006 0.000 1.150 156 P CA 1.341 64.448 63.100 0.013 0.000 0.837 156 P CB 0.198 31.905 31.700 0.012 0.000 0.786 157 S N -0.342 115.366 115.700 0.014 0.000 2.402 157 S HA -0.208 4.262 4.470 0.001 0.000 0.233 157 S C 2.065 176.673 174.600 0.012 0.000 1.030 157 S CA 1.293 59.498 58.200 0.009 0.000 1.003 157 S CB -0.855 62.352 63.200 0.011 0.000 0.813 157 S HN -0.030 nan 8.310 nan 0.000 0.477 158 R N 1.593 122.105 120.500 0.021 0.000 2.310 158 R HA 0.502 4.842 4.340 0.001 0.000 0.202 158 R C 1.717 178.022 176.300 0.008 0.000 0.933 158 R CA 0.598 56.711 56.100 0.022 0.000 1.054 158 R CB -1.002 29.322 30.300 0.040 0.000 0.985 158 R HN 0.507 nan 8.270 nan 0.000 0.489 159 A N 0.664 123.480 122.820 -0.007 0.000 2.976 159 A HA -0.243 4.078 4.320 0.001 0.000 0.193 159 A C 0.390 177.962 177.584 -0.019 0.000 0.951 159 A CA 1.191 53.212 52.037 -0.028 0.000 1.086 159 A CB -0.839 18.140 19.000 -0.034 0.000 0.750 159 A HN 0.493 nan 8.150 nan 0.000 0.557 160 Q N -1.445 118.344 119.800 -0.019 0.000 2.428 160 Q HA 0.365 4.706 4.340 0.001 0.000 0.276 160 Q C 1.034 177.034 176.000 0.000 0.000 1.059 160 Q CA 0.566 56.362 55.803 -0.011 0.000 0.923 160 Q CB 0.001 28.732 28.738 -0.013 0.000 1.283 160 Q HN 1.514 nan 8.270 nan 0.000 0.447 161 G N 0.509 109.313 108.800 0.006 0.000 2.179 161 G HA2 -0.279 3.682 3.960 0.001 0.000 0.260 161 G HA3 -0.279 3.682 3.960 0.001 0.000 0.260 161 G C 0.599 175.512 174.900 0.022 0.000 0.977 161 G CA 0.148 45.256 45.100 0.013 0.000 0.641 161 G HN 0.828 nan 8.290 nan 0.000 0.533 162 G N -0.131 108.683 108.800 0.023 0.000 2.921 162 G HA2 0.351 4.312 3.960 0.001 0.000 0.213 162 G HA3 0.351 4.312 3.960 0.001 0.000 0.213 162 G C 1.518 176.452 174.900 0.056 0.000 1.143 162 G CA 1.014 46.137 45.100 0.039 0.000 0.764 162 G HN 0.830 nan 8.290 nan 0.000 0.542 163 I N 2.101 122.699 120.570 0.046 0.000 2.264 163 I HA -0.024 4.146 4.170 0.001 0.000 0.248 163 I C -0.289 175.868 176.117 0.066 0.000 1.111 163 I CA 1.119 62.454 61.300 0.059 0.000 1.382 163 I CB -0.487 37.534 38.000 0.034 0.000 1.060 163 I HN 0.003 nan 8.210 nan 0.000 0.418 164 P HA -0.161 nan 4.420 nan 0.000 0.215 164 P C 1.411 178.752 177.300 0.069 0.000 1.153 164 P CA 1.841 64.971 63.100 0.049 0.000 0.853 164 P CB -0.244 31.479 31.700 0.038 0.000 0.788 165 N N -0.284 118.463 118.700 0.079 0.000 2.084 165 N HA -0.163 4.578 4.740 0.001 0.000 0.190 165 N C 1.506 177.103 175.510 0.144 0.000 1.030 165 N CA 1.567 54.676 53.050 0.098 0.000 0.849 165 N CB -0.322 38.219 38.487 0.090 0.000 1.012 165 N HN -0.008 nan 8.380 nan 0.000 0.423 166 K N 0.092 120.597 120.400 0.175 0.000 2.002 166 K HA -0.178 4.143 4.320 0.001 0.000 0.209 166 K C 1.871 178.629 176.600 0.263 0.000 1.048 166 K CA 1.720 58.188 56.287 0.302 0.000 0.930 166 K CB -0.291 32.413 32.500 0.340 0.000 0.714 166 K HN 0.594 nan 8.250 nan 0.000 0.438 167 E N 1.152 121.431 120.200 0.131 0.000 2.338 167 E HA -0.187 4.164 4.350 0.001 0.000 0.197 167 E C 2.105 178.735 176.600 0.049 0.000 1.007 167 E CA 0.627 57.055 56.400 0.046 0.000 0.849 167 E CB -0.090 29.621 29.700 0.019 0.000 0.774 167 E HN 0.187 nan 8.360 nan 0.000 0.506 168 R N 0.652 121.202 120.500 0.083 0.000 2.073 168 R HA -0.070 4.271 4.340 0.001 0.000 0.229 168 R C 1.951 178.308 176.300 0.095 0.000 1.120 168 R CA 1.523 57.671 56.100 0.079 0.000 0.967 168 R CB -0.434 29.916 30.300 0.084 0.000 0.862 168 R HN 0.274 nan 8.270 nan 0.000 0.436 169 C N 0.515 119.904 119.300 0.148 0.000 2.413 169 C HA -0.049 4.412 4.460 0.001 0.000 0.276 169 C C 2.933 177.957 174.990 0.056 0.000 1.236 169 C CA 0.983 60.111 59.018 0.184 0.000 1.735 169 C CB -0.974 26.978 27.740 0.354 0.000 2.031 169 C HN 0.698 nan 8.230 nan 0.000 0.474 170 A N 0.257 123.059 122.820 -0.029 0.000 1.972 170 A HA -0.220 4.100 4.320 0.001 0.000 0.219 170 A C 1.996 179.486 177.584 -0.156 0.000 1.169 170 A CA 2.219 54.100 52.037 -0.261 0.000 0.635 170 A CB -0.525 18.257 19.000 -0.363 0.000 0.810 170 A HN 0.633 nan 8.150 nan 0.000 0.446 171 E N 0.051 120.220 120.200 -0.051 0.000 2.107 171 E HA -0.148 4.203 4.350 0.001 0.000 0.191 171 E C 2.077 178.671 176.600 -0.010 0.000 0.982 171 E CA 1.524 57.923 56.400 -0.001 0.000 0.809 171 E CB -0.336 29.400 29.700 0.060 0.000 0.756 171 E HN 0.709 nan 8.360 nan 0.000 0.459 172 Q N -0.133 119.681 119.800 0.023 0.000 2.119 172 Q HA -0.086 4.254 4.340 0.001 0.000 0.201 172 Q C 2.288 178.271 176.000 -0.028 0.000 0.972 172 Q CA 1.502 57.349 55.803 0.073 0.000 0.847 172 Q CB -0.112 28.717 28.738 0.151 0.000 0.903 172 Q HN 0.400 nan 8.270 nan 0.000 0.433 173 I N 0.586 121.077 120.570 -0.132 0.000 2.226 173 I HA -0.266 3.904 4.170 0.001 0.000 0.245 173 I C 2.391 178.319 176.117 -0.315 0.000 1.100 173 I CA 0.909 62.051 61.300 -0.263 0.000 1.374 173 I CB -0.387 37.404 38.000 -0.348 0.000 1.057 173 I HN 0.157 nan 8.210 nan 0.000 0.413 174 A N 0.894 123.540 122.820 -0.291 0.000 1.933 174 A HA -0.226 4.094 4.320 0.001 0.000 0.218 174 A C 2.444 179.686 177.584 -0.571 0.000 1.175 174 A CA 2.335 54.123 52.037 -0.415 0.000 0.628 174 A CB -1.158 17.592 19.000 -0.418 0.000 0.814 174 A HN 0.538 nan 8.150 nan 0.000 0.444 175 T N -1.940 112.383 114.554 -0.385 0.000 2.867 175 T HA -0.093 4.258 4.350 0.001 0.000 0.268 175 T C 1.815 176.460 174.700 -0.091 0.000 1.057 175 T CA 1.233 63.215 62.100 -0.196 0.000 1.136 175 T CB -0.376 68.556 68.868 0.106 0.000 0.874 175 T HN 0.231 nan 8.240 nan 0.000 0.466 176 L N 0.827 121.857 121.223 -0.322 0.000 2.056 176 L HA -0.002 4.339 4.340 0.001 0.000 0.207 176 L C 2.418 179.008 176.870 -0.467 0.000 1.078 176 L CA 1.749 56.119 54.840 -0.784 0.000 0.749 176 L CB -1.500 39.674 42.059 -1.474 0.000 0.901 176 L HN 0.450 nan 8.230 nan 0.000 0.433 177 C N 0.245 119.327 119.300 -0.365 0.000 2.457 177 C HA 0.002 4.463 4.460 0.001 0.000 0.278 177 C C 3.097 178.004 174.990 -0.138 0.000 1.309 177 C CA 0.624 59.509 59.018 -0.222 0.000 1.735 177 C CB -1.241 26.392 27.740 -0.179 0.000 1.992 177 C HN 0.696 nan 8.230 nan 0.000 0.493 178 A N 0.511 123.225 122.820 -0.176 0.000 1.933 178 A HA -0.166 4.155 4.320 0.001 0.000 0.218 178 A C 2.176 179.769 177.584 0.014 0.000 1.175 178 A CA 2.416 54.415 52.037 -0.062 0.000 0.628 178 A CB -1.015 17.932 19.000 -0.089 0.000 0.814 178 A HN 0.559 nan 8.150 nan 0.000 0.444 179 T N 0.258 114.823 114.554 0.018 0.000 2.821 179 T HA -0.028 4.323 4.350 0.001 0.000 0.267 179 T C 1.570 176.296 174.700 0.044 0.000 1.046 179 T CA 1.352 63.500 62.100 0.080 0.000 1.139 179 T CB -0.269 68.717 68.868 0.197 0.000 0.871 179 T HN 0.377 nan 8.240 nan 0.000 0.454 180 L N 0.189 121.406 121.223 -0.009 0.000 2.558 180 L HA 0.269 4.609 4.340 0.001 0.000 0.225 180 L C 1.661 178.533 176.870 0.003 0.000 1.128 180 L CA 0.181 55.016 54.840 -0.008 0.000 0.868 180 L CB -0.378 41.654 42.059 -0.045 0.000 1.006 180 L HN 0.439 nan 8.230 nan 0.000 0.454 181 G N 0.927 109.732 108.800 0.009 0.000 2.272 181 G HA2 -0.206 3.755 3.960 0.001 0.000 0.280 181 G HA3 -0.206 3.755 3.960 0.001 0.000 0.280 181 G C -0.106 174.811 174.900 0.027 0.000 1.067 181 G CA -0.098 45.017 45.100 0.024 0.000 0.902 181 G HN 0.322 nan 8.290 nan 0.000 0.500 182 E N -1.178 119.037 120.200 0.024 0.000 2.227 182 E HA 0.562 4.912 4.350 0.001 0.000 0.268 182 E C -1.089 175.581 176.600 0.118 0.000 0.907 182 E CA -0.959 55.468 56.400 0.044 0.000 0.786 182 E CB 2.009 31.709 29.700 0.000 0.000 1.191 182 E HN 0.316 nan 8.360 nan 0.000 0.411 183 Y N 2.982 123.270 120.300 -0.020 0.000 2.490 183 Y HA 0.225 4.776 4.550 0.001 0.000 0.346 183 Y C -2.450 173.454 175.900 0.007 0.000 1.023 183 Y CA -2.193 55.901 58.100 -0.010 0.000 1.142 183 Y CB 0.577 39.037 38.460 0.001 0.000 1.126 183 Y HN 0.288 nan 8.280 nan 0.000 0.647 184 P HA 0.178 nan 4.420 nan 0.000 0.274 184 P C -0.451 176.755 177.300 -0.156 0.000 1.237 184 P CA -0.052 62.994 63.100 -0.089 0.000 0.793 184 P CB 1.368 33.054 31.700 -0.022 0.000 0.977 185 S N 0.472 116.163 115.700 -0.015 0.000 2.523 185 S HA 0.284 4.755 4.470 0.001 0.000 0.275 185 S C 0.311 174.992 174.600 0.135 0.000 1.281 185 S CA -0.809 57.430 58.200 0.066 0.000 1.050 185 S CB 0.288 63.608 63.200 0.200 0.000 0.937 185 S HN 0.267 nan 8.310 nan 0.000 0.492 186 V N 4.561 124.535 119.914 0.101 0.000 2.498 186 V HA 0.433 4.554 4.120 0.001 0.000 0.279 186 V C 0.581 176.742 176.094 0.111 0.000 1.048 186 V CA -0.410 61.942 62.300 0.087 0.000 0.967 186 V CB 0.363 32.215 31.823 0.047 0.000 0.988 186 V HN 0.891 nan 8.190 nan 0.000 0.473 187 R N 3.600 124.110 120.500 0.017 0.000 2.867 187 R HA 0.779 5.120 4.340 0.001 0.000 0.268 187 R C -1.625 174.739 176.300 0.108 0.000 1.014 187 R CA -0.816 55.213 56.100 -0.119 0.000 0.946 187 R CB 2.499 32.559 30.300 -0.399 0.000 1.208 187 R HN 0.794 nan 8.270 nan 0.000 0.477 188 Y N -2.339 117.966 120.300 0.008 0.000 2.592 188 Y HA 0.439 4.990 4.550 0.001 0.000 0.334 188 Y C -1.069 174.871 175.900 0.067 0.000 1.136 188 Y CA -1.381 56.770 58.100 0.085 0.000 1.042 188 Y CB 1.232 39.763 38.460 0.118 0.000 1.325 188 Y HN 0.434 nan 8.280 nan 0.000 0.457 189 R N 1.854 122.464 120.500 0.185 0.000 2.288 189 R HA 0.273 4.614 4.340 0.001 0.000 0.330 189 R C 0.115 176.495 176.300 0.132 0.000 1.069 189 R CA 0.412 56.486 56.100 -0.044 0.000 0.941 189 R CB 0.637 30.995 30.300 0.098 0.000 0.998 189 R HN 0.982 nan 8.270 nan 0.000 0.452 190 S N 2.785 118.443 115.700 -0.070 0.000 2.423 190 S HA -0.127 4.344 4.470 0.001 0.000 0.231 190 S C 1.060 175.758 174.600 0.162 0.000 1.014 190 S CA 0.771 59.047 58.200 0.125 0.000 0.965 190 S CB -0.023 63.156 63.200 -0.036 0.000 0.785 190 S HN 0.698 nan 8.310 nan 0.000 0.495 191 D N -0.237 120.241 120.400 0.130 0.000 2.309 191 D HA -0.058 4.582 4.640 0.001 0.000 0.212 191 D C -0.346 176.105 176.300 0.251 0.000 0.968 191 D CA 0.635 54.735 54.000 0.165 0.000 0.882 191 D CB 0.076 40.964 40.800 0.146 0.000 0.918 191 D HN 0.294 nan 8.370 nan 0.000 0.503 192 F N 1.815 121.846 119.950 0.135 0.000 2.359 192 F HA 0.156 4.684 4.527 0.001 0.000 0.370 192 F C 0.810 176.677 175.800 0.111 0.000 1.077 192 F CA -1.136 56.945 58.000 0.136 0.000 1.136 192 F CB 0.525 39.645 39.000 0.200 0.000 1.387 192 F HN -0.271 nan 8.300 nan 0.000 0.468 193 D N 1.701 121.964 120.400 -0.229 0.000 2.286 193 D HA -0.298 4.343 4.640 0.001 0.000 0.195 193 D C 1.623 177.769 176.300 -0.257 0.000 1.012 193 D CA 1.500 55.374 54.000 -0.210 0.000 0.901 193 D CB 0.060 40.720 40.800 -0.232 0.000 0.903 193 D HN 0.532 nan 8.370 nan 0.000 0.451 194 E N 0.493 120.400 120.200 -0.489 0.000 2.478 194 E HA -0.073 4.278 4.350 0.001 0.000 0.198 194 E C 1.375 177.972 176.600 -0.005 0.000 1.046 194 E CA 0.277 56.466 56.400 -0.353 0.000 0.870 194 E CB -0.070 29.204 29.700 -0.711 0.000 0.818 194 E HN 0.168 nan 8.360 nan 0.000 0.527 195 N N 0.358 119.162 118.700 0.172 0.000 2.109 195 N HA -0.084 4.657 4.740 0.001 0.000 0.188 195 N C 1.634 177.086 175.510 -0.097 0.000 1.034 195 N CA 1.593 54.810 53.050 0.279 0.000 0.846 195 N CB -0.815 37.933 38.487 0.436 0.000 1.010 195 N HN 0.251 nan 8.380 nan 0.000 0.425 196 A N 0.577 123.086 122.820 -0.519 0.000 1.903 196 A HA -0.237 4.084 4.320 0.001 0.000 0.219 196 A C 2.469 179.822 177.584 -0.385 0.000 1.191 196 A CA 2.433 53.887 52.037 -0.970 0.000 0.638 196 A CB -1.175 17.445 19.000 -0.635 0.000 0.823 196 A HN 0.354 nan 8.150 nan 0.000 0.451 197 S N -1.955 113.640 115.700 -0.174 0.000 2.368 197 S HA -0.169 4.302 4.470 0.001 0.000 0.225 197 S C 1.740 176.350 174.600 0.016 0.000 1.030 197 S CA 1.617 59.776 58.200 -0.068 0.000 0.999 197 S CB -0.487 62.688 63.200 -0.042 0.000 0.844 197 S HN 0.598 nan 8.310 nan 0.000 0.459 198 F N 1.770 121.699 119.950 -0.035 0.000 2.259 198 F HA 0.115 4.642 4.527 0.001 0.000 0.298 198 F C 2.224 178.016 175.800 -0.014 0.000 1.088 198 F CA 0.971 58.993 58.000 0.038 0.000 1.358 198 F CB -0.464 38.648 39.000 0.185 0.000 1.040 198 F HN 0.287 nan 8.300 nan 0.000 0.505 199 A N -0.183 122.601 122.820 -0.059 0.000 1.933 199 A HA -0.243 4.078 4.320 0.001 0.000 0.218 199 A C 2.025 179.511 177.584 -0.163 0.000 1.175 199 A CA 1.725 53.691 52.037 -0.118 0.000 0.628 199 A CB -0.866 18.090 19.000 -0.072 0.000 0.814 199 A HN 0.493 nan 8.150 nan 0.000 0.444 200 Q N -0.481 119.230 119.800 -0.148 0.000 2.084 200 Q HA -0.120 4.221 4.340 0.001 0.000 0.202 200 Q C 1.900 177.821 176.000 -0.132 0.000 0.978 200 Q CA 1.343 57.082 55.803 -0.107 0.000 0.844 200 Q CB -0.324 28.365 28.738 -0.082 0.000 0.898 200 Q HN 0.471 nan 8.270 nan 0.000 0.426 201 L N -0.446 120.663 121.223 -0.190 0.000 1.989 201 L HA -0.185 4.156 4.340 0.001 0.000 0.211 201 L C 2.380 179.098 176.870 -0.254 0.000 1.071 201 L CA 1.451 56.163 54.840 -0.212 0.000 0.749 201 L CB -1.560 40.334 42.059 -0.276 0.000 0.890 201 L HN 0.190 nan 8.230 nan 0.000 0.431 202 V N -0.315 119.355 119.914 -0.406 0.000 2.282 202 V HA -0.344 3.777 4.120 0.001 0.000 0.249 202 V C 2.651 178.637 176.094 -0.180 0.000 1.057 202 V CA 1.973 64.063 62.300 -0.349 0.000 1.032 202 V CB -0.586 30.991 31.823 -0.411 0.000 0.645 202 V HN 0.459 nan 8.190 nan 0.000 0.447 203 Q N -0.050 119.669 119.800 -0.135 0.000 2.061 203 Q HA -0.256 4.084 4.340 0.001 0.000 0.204 203 Q C 2.232 178.228 176.000 -0.007 0.000 0.984 203 Q CA 2.117 57.882 55.803 -0.063 0.000 0.846 203 Q CB -0.357 28.356 28.738 -0.041 0.000 0.902 203 Q HN 0.699 nan 8.270 nan 0.000 0.421 204 Q N -0.591 119.194 119.800 -0.024 0.000 2.050 204 Q HA -0.188 4.152 4.340 0.001 0.000 0.202 204 Q C 2.007 178.029 176.000 0.037 0.000 0.980 204 Q CA 1.645 57.452 55.803 0.007 0.000 0.840 204 Q CB -0.018 28.710 28.738 -0.016 0.000 0.898 204 Q HN 0.110 nan 8.270 nan 0.000 0.424 205 K N 0.364 120.771 120.400 0.011 0.000 2.026 205 K HA -0.158 4.163 4.320 0.001 0.000 0.208 205 K C 1.799 178.496 176.600 0.163 0.000 1.048 205 K CA 1.150 57.479 56.287 0.070 0.000 0.929 205 K CB -0.392 32.105 32.500 -0.004 0.000 0.713 205 K HN 0.193 nan 8.250 nan 0.000 0.439 206 L N -0.785 120.489 121.223 0.084 0.000 2.478 206 L HA 0.082 4.422 4.340 0.001 0.000 0.223 206 L C 1.257 178.316 176.870 0.314 0.000 1.140 206 L CA 1.446 56.379 54.840 0.156 0.000 0.842 206 L CB -0.631 41.469 42.059 0.068 0.000 0.953 206 L HN -0.063 nan 8.230 nan 0.000 0.452 207 D N 1.241 121.789 120.400 0.248 0.000 2.103 207 D HA -0.036 4.605 4.640 0.001 0.000 0.199 207 D C 2.316 178.689 176.300 0.120 0.000 0.978 207 D CA 1.616 55.749 54.000 0.222 0.000 0.829 207 D CB 0.092 40.982 40.800 0.150 0.000 0.981 207 D HN 0.424 nan 8.370 nan 0.000 0.464 208 A N -0.042 122.850 122.820 0.120 0.000 1.978 208 A HA -0.221 4.100 4.320 0.001 0.000 0.220 208 A C 2.017 179.611 177.584 0.017 0.000 1.170 208 A CA 1.198 53.264 52.037 0.047 0.000 0.636 208 A CB -0.895 18.125 19.000 0.033 0.000 0.810 208 A HN 0.247 nan 8.150 nan 0.000 0.448 209 Y N -0.713 119.581 120.300 -0.010 0.000 2.184 209 Y HA -0.095 4.456 4.550 0.001 0.000 0.290 209 Y C 2.553 178.415 175.900 -0.064 0.000 1.129 209 Y CA 1.750 59.838 58.100 -0.020 0.000 1.144 209 Y CB -0.295 38.170 38.460 0.008 0.000 0.995 209 Y HN 0.300 nan 8.280 nan 0.000 0.513 210 R N 0.378 120.899 120.500 0.034 0.000 2.189 210 R HA -0.122 4.218 4.340 0.001 0.000 0.223 210 R C 2.185 178.405 176.300 -0.132 0.000 1.092 210 R CA 0.892 56.895 56.100 -0.162 0.000 0.989 210 R CB -0.301 29.659 30.300 -0.566 0.000 0.876 210 R HN 0.316 nan 8.270 nan 0.000 0.457 211 A N 0.977 123.745 122.820 -0.087 0.000 1.940 211 A HA -0.147 4.174 4.320 0.001 0.000 0.219 211 A C 1.076 178.614 177.584 -0.076 0.000 1.176 211 A CA 1.721 53.711 52.037 -0.077 0.000 0.631 211 A CB -0.167 18.798 19.000 -0.059 0.000 0.814 211 A HN 0.376 nan 8.150 nan 0.000 0.446 212 D N -0.510 119.841 120.400 -0.082 0.000 2.395 212 D HA 0.250 4.890 4.640 0.001 0.000 0.226 212 D C -0.643 175.623 176.300 -0.056 0.000 1.146 212 D CA 0.457 54.408 54.000 -0.081 0.000 0.830 212 D CB 0.288 41.016 40.800 -0.120 0.000 0.958 212 D HN 0.468 nan 8.370 nan 0.000 0.501 213 D N -0.481 119.887 120.400 -0.053 0.000 2.540 213 D HA 0.056 4.696 4.640 0.001 0.000 0.194 213 D C -2.410 173.853 176.300 -0.061 0.000 1.291 213 D CA -0.732 53.245 54.000 -0.038 0.000 1.158 213 D CB 0.845 41.643 40.800 -0.004 0.000 1.474 213 D HN -0.253 nan 8.370 nan 0.000 0.578 214 P HA 0.014 nan 4.420 nan 0.000 0.231 214 P C 0.392 177.655 177.300 -0.061 0.000 1.158 214 P CA 0.899 63.952 63.100 -0.078 0.000 0.763 214 P CB 0.139 31.803 31.700 -0.059 0.000 0.805 218 E N 0.604 120.814 120.200 0.017 0.000 2.502 218 E HA 0.369 4.720 4.350 0.001 0.000 0.261 218 E C 1.882 178.482 176.600 -0.000 0.000 0.974 218 E CA 1.119 57.521 56.400 0.004 0.000 0.936 218 E CB 0.568 30.267 29.700 -0.002 0.000 0.926 218 E HN 0.235 nan 8.360 nan 0.000 0.459 219 G N 5.331 114.129 108.800 -0.003 0.000 2.817 219 G HA2 -0.288 3.673 3.960 0.001 0.000 0.226 219 G HA3 -0.288 3.673 3.960 0.001 0.000 0.226 219 G C -1.144 173.740 174.900 -0.026 0.000 1.115 219 G CA 0.706 45.799 45.100 -0.011 0.000 0.750 219 G HN 0.606 nan 8.290 nan 0.000 0.637 220 P HA -0.010 nan 4.420 nan 0.000 0.148 220 P C 0.510 177.770 177.300 -0.067 0.000 0.993 220 P CA 0.766 63.842 63.100 -0.041 0.000 1.195 220 P CB -0.456 31.225 31.700 -0.031 0.000 1.599 221 Q N -0.192 119.559 119.800 -0.082 0.000 2.151 221 Q HA -0.286 4.055 4.340 0.001 0.000 0.161 221 Q C 1.138 177.052 176.000 -0.144 0.000 0.610 221 Q CA 1.761 57.483 55.803 -0.135 0.000 1.451 221 Q CB -1.688 26.941 28.738 -0.181 0.000 1.538 221 Q HN 0.488 nan 8.270 nan 0.000 0.864 222 K N 0.854 121.201 120.400 -0.089 0.000 2.442 222 K HA -0.142 4.178 4.320 0.001 0.000 0.198 222 K C 1.101 177.681 176.600 -0.034 0.000 1.044 222 K CA 1.336 57.586 56.287 -0.061 0.000 0.948 222 K CB -0.151 32.337 32.500 -0.021 0.000 0.762 222 K HN 0.509 nan 8.250 nan 0.000 0.472 223 D N -0.635 119.744 120.400 -0.035 0.000 2.349 223 D HA -0.063 4.578 4.640 0.001 0.000 0.224 223 D C 1.320 177.609 176.300 -0.019 0.000 1.029 223 D CA 0.297 54.292 54.000 -0.007 0.000 0.879 223 D CB 0.229 41.027 40.800 -0.003 0.000 0.906 223 D HN 0.024 nan 8.370 nan 0.000 0.528 224 R N -0.203 120.260 120.500 -0.062 0.000 2.335 224 R HA 0.247 4.588 4.340 0.001 0.000 0.210 224 R C 0.163 176.467 176.300 0.008 0.000 0.892 224 R CA -0.205 55.868 56.100 -0.045 0.000 1.048 224 R CB 0.485 30.687 30.300 -0.162 0.000 1.067 224 R HN -0.038 nan 8.270 nan 0.000 0.524 225 S N 1.982 117.660 115.700 -0.038 0.000 2.558 225 S HA -0.003 4.468 4.470 0.001 0.000 0.293 225 S C -0.055 174.629 174.600 0.140 0.000 1.292 225 S CA 0.489 58.716 58.200 0.046 0.000 1.063 225 S CB 0.550 63.753 63.200 0.006 0.000 0.831 225 S HN 0.154 nan 8.310 nan 0.000 0.499 226 Q N 1.229 121.157 119.800 0.214 0.000 2.394 226 Q HA 0.584 4.925 4.340 0.001 0.000 0.273 226 Q C -1.181 174.879 176.000 0.100 0.000 1.089 226 Q CA -0.589 55.316 55.803 0.170 0.000 0.812 226 Q CB 2.447 31.304 28.738 0.198 0.000 1.353 226 Q HN 0.568 nan 8.270 nan 0.000 0.438 227 L N 3.313 124.571 121.223 0.057 0.000 2.345 227 L HA 0.480 4.821 4.340 0.001 0.000 0.274 227 L C -1.538 175.358 176.870 0.043 0.000 0.999 227 L CA -0.578 54.290 54.840 0.047 0.000 0.849 227 L CB 0.763 42.833 42.059 0.019 0.000 1.220 227 L HN 0.537 nan 8.230 nan 0.000 0.422 228 L N 5.766 127.007 121.223 0.030 0.000 2.275 228 L HA 0.427 4.768 4.340 0.001 0.000 0.288 228 L C -0.558 176.368 176.870 0.093 0.000 1.046 228 L CA -0.646 54.202 54.840 0.013 0.000 0.805 228 L CB 1.373 43.377 42.059 -0.091 0.000 1.193 228 L HN 0.548 nan 8.230 nan 0.000 0.426 229 I N 6.631 127.305 120.570 0.175 0.000 2.297 229 I HA 0.310 4.480 4.170 0.001 0.000 0.291 229 I C 0.171 176.402 176.117 0.189 0.000 1.033 229 I CA -0.183 61.283 61.300 0.277 0.000 1.253 229 I CB 1.075 39.320 38.000 0.408 0.000 1.396 229 I HN 0.497 nan 8.210 nan 0.000 0.476 230 L N 5.711 126.957 121.223 0.039 0.000 2.322 230 L HA 0.549 4.890 4.340 0.001 0.000 0.269 230 L C -0.149 176.686 176.870 -0.059 0.000 1.012 230 L CA -0.929 53.856 54.840 -0.091 0.000 0.815 230 L CB 2.028 43.783 42.059 -0.507 0.000 1.295 230 L HN 0.526 nan 8.230 nan 0.000 0.438 231 D N 0.206 120.623 120.400 0.029 0.000 2.342 231 D HA 0.206 4.846 4.640 0.001 0.000 0.243 231 D C 0.564 176.928 176.300 0.106 0.000 1.019 231 D CA -0.749 53.246 54.000 -0.009 0.000 0.864 231 D CB 2.054 42.827 40.800 -0.045 0.000 1.315 231 D HN 0.210 nan 8.370 nan 0.000 0.468 232 R N 1.995 122.529 120.500 0.057 0.000 2.133 232 R HA -0.116 4.225 4.340 0.001 0.000 0.247 232 R C 1.931 178.202 176.300 -0.048 0.000 1.151 232 R CA 1.741 57.873 56.100 0.054 0.000 0.971 232 R CB -1.329 28.970 30.300 -0.002 0.000 0.866 232 R HN 0.774 nan 8.270 nan 0.000 0.447 233 G N -0.031 108.674 108.800 -0.158 0.000 2.708 233 G HA2 -0.217 3.744 3.960 0.001 0.000 0.210 233 G HA3 -0.217 3.744 3.960 0.001 0.000 0.210 233 G C 1.194 176.079 174.900 -0.024 0.000 1.141 233 G CA 0.443 45.430 45.100 -0.188 0.000 0.788 233 G HN 0.503 nan 8.290 nan 0.000 0.531 234 F N 0.308 120.258 119.950 0.000 0.000 2.365 234 F HA 0.199 4.727 4.527 0.001 0.000 0.300 234 F C 0.080 176.045 175.800 0.275 0.000 1.090 234 F CA 0.364 58.485 58.000 0.202 0.000 1.408 234 F CB 0.316 39.453 39.000 0.229 0.000 1.060 234 F HN 0.085 nan 8.300 nan 0.000 0.534 235 D N 0.754 120.586 120.400 -0.946 0.000 2.362 235 D HA 0.179 4.820 4.640 0.001 0.000 0.232 235 D C -2.464 173.345 176.300 -0.817 0.000 1.329 235 D CA -1.593 51.818 54.000 -0.981 0.000 0.944 235 D CB 1.296 41.431 40.800 -1.108 0.000 1.471 235 D HN -0.056 nan 8.370 nan 0.000 0.533 236 P HA 0.138 nan 4.420 nan 0.000 0.251 236 P C 1.629 178.617 177.300 -0.520 0.000 1.223 236 P CA -0.008 62.731 63.100 -0.602 0.000 0.796 236 P CB 0.939 32.304 31.700 -0.558 0.000 1.068 237 I N 0.106 120.314 120.570 -0.604 0.000 2.162 237 I HA -0.191 3.980 4.170 0.001 0.000 0.238 237 I C 2.432 178.219 176.117 -0.550 0.000 1.076 237 I CA 1.279 62.228 61.300 -0.585 0.000 1.353 237 I CB -0.901 36.619 38.000 -0.800 0.000 1.063 237 I HN -0.082 nan 8.210 nan 0.000 0.408 238 S N 1.382 116.828 115.700 -0.425 0.000 2.372 238 S HA -0.130 4.341 4.470 0.001 0.000 0.227 238 S C -0.504 173.987 174.600 -0.182 0.000 1.044 238 S CA 1.896 59.970 58.200 -0.210 0.000 1.050 238 S CB -1.556 61.698 63.200 0.089 0.000 0.901 238 S HN 0.412 nan 8.310 nan 0.000 0.447 239 P HA 0.069 nan 4.420 nan 0.000 0.233 239 P C 0.970 178.162 177.300 -0.179 0.000 1.167 239 P CA 0.733 63.737 63.100 -0.160 0.000 0.770 239 P CB -0.093 31.508 31.700 -0.164 0.000 0.837 240 L N -1.633 119.453 121.223 -0.228 0.000 2.416 240 L HA 0.071 4.412 4.340 0.001 0.000 0.216 240 L C 0.931 177.667 176.870 -0.223 0.000 1.098 240 L CA -0.103 54.603 54.840 -0.224 0.000 0.840 240 L CB -0.314 41.607 42.059 -0.231 0.000 0.981 240 L HN -0.043 nan 8.230 nan 0.000 0.462 241 L N 0.274 121.361 121.223 -0.227 0.000 2.426 241 L HA 0.051 4.392 4.340 0.001 0.000 0.271 241 L C 0.559 177.367 176.870 -0.104 0.000 1.169 241 L CA 0.226 54.965 54.840 -0.168 0.000 0.836 241 L CB -0.128 41.803 42.059 -0.213 0.000 1.112 241 L HN 0.047 nan 8.230 nan 0.000 0.465 242 H N 2.657 121.705 119.070 -0.037 0.000 3.015 242 H HA 0.093 4.650 4.556 0.001 0.000 0.268 242 H C -0.195 175.150 175.328 0.029 0.000 1.113 242 H CA -0.265 55.789 56.048 0.010 0.000 1.479 242 H CB 0.649 30.422 29.762 0.018 0.000 1.493 242 H HN 0.459 nan 8.280 nan 0.000 0.486 243 E N 2.338 122.608 120.200 0.118 0.000 2.277 243 E HA 0.125 4.476 4.350 0.001 0.000 0.274 243 E C -0.218 176.407 176.600 0.041 0.000 1.022 243 E CA -0.551 55.899 56.400 0.082 0.000 0.853 243 E CB 0.851 30.600 29.700 0.081 0.000 1.086 243 E HN 0.356 nan 8.360 nan 0.000 0.397 244 L N 2.565 123.742 121.223 -0.078 0.000 2.910 244 L HA 0.210 4.551 4.340 0.001 0.000 0.252 244 L C 0.140 176.754 176.870 -0.426 0.000 1.195 244 L CA 0.127 54.804 54.840 -0.272 0.000 1.003 244 L CB -0.471 41.320 42.059 -0.446 0.000 1.328 244 L HN 0.581 nan 8.230 nan 0.000 0.540 245 T N -4.360 110.080 114.554 -0.189 0.000 2.910 245 T HA 0.173 4.524 4.350 0.001 0.000 0.293 245 T C 1.436 176.178 174.700 0.071 0.000 1.015 245 T CA -0.423 61.626 62.100 -0.084 0.000 1.094 245 T CB 0.958 69.843 68.868 0.029 0.000 0.968 245 T HN 0.104 nan 8.240 nan 0.000 0.521 246 F N 1.111 121.012 119.950 -0.081 0.000 2.021 246 F HA -0.318 4.209 4.527 0.001 0.000 0.297 246 F C 2.928 178.740 175.800 0.019 0.000 1.152 246 F CA 2.055 60.035 58.000 -0.034 0.000 1.201 246 F CB -0.121 38.868 39.000 -0.019 0.000 0.951 246 F HN 0.808 nan 8.300 nan 0.000 0.504 247 Q N 0.932 120.737 119.800 0.007 0.000 2.014 247 Q HA -0.163 4.178 4.340 0.001 0.000 0.207 247 Q C 1.164 177.131 176.000 -0.056 0.000 0.993 247 Q CA 1.132 56.901 55.803 -0.056 0.000 0.850 247 Q CB -0.455 28.152 28.738 -0.219 0.000 0.916 247 Q HN 0.471 nan 8.270 nan 0.000 0.417 251 Y N 1.569 121.763 120.300 -0.178 0.000 2.333 251 Y HA -0.120 4.431 4.550 0.001 0.000 0.290 251 Y C 2.200 178.095 175.900 -0.009 0.000 1.144 251 Y CA 1.960 59.989 58.100 -0.120 0.000 1.228 251 Y CB -0.031 38.281 38.460 -0.247 0.000 0.985 251 Y HN 0.561 nan 8.280 nan 0.000 0.542 252 D N -0.545 119.940 120.400 0.142 0.000 2.183 252 D HA -0.069 4.572 4.640 0.001 0.000 0.205 252 D C 1.788 178.156 176.300 0.114 0.000 0.962 252 D CA 1.070 55.139 54.000 0.115 0.000 0.849 252 D CB -0.077 40.773 40.800 0.085 0.000 0.978 252 D HN 0.288 nan 8.370 nan 0.000 0.488 253 L N -0.439 120.854 121.223 0.116 0.000 2.298 253 L HA 0.213 4.554 4.340 0.001 0.000 0.209 253 L C 0.700 177.624 176.870 0.090 0.000 1.084 253 L CA 0.170 55.094 54.840 0.140 0.000 0.816 253 L CB 0.083 42.240 42.059 0.164 0.000 0.967 253 L HN -0.013 nan 8.230 nan 0.000 0.460 254 L N 0.215 121.454 121.223 0.026 0.000 2.334 254 L HA 0.381 4.722 4.340 0.001 0.000 0.270 254 L C -2.121 174.747 176.870 -0.004 0.000 1.018 254 L CA -1.762 53.083 54.840 0.008 0.000 0.811 254 L CB 0.826 42.851 42.059 -0.057 0.000 1.271 254 L HN -0.207 nan 8.230 nan 0.000 0.443 255 P HA 0.259 nan 4.420 nan 0.000 0.225 255 P C -0.570 176.720 177.300 -0.017 0.000 1.830 255 P CA 0.095 63.204 63.100 0.015 0.000 1.051 255 P CB -0.134 31.584 31.700 0.030 0.000 1.929 256 I N 2.483 122.995 120.570 -0.097 0.000 2.287 256 I HA 0.173 4.344 4.170 0.001 0.000 0.290 256 I C 0.692 176.759 176.117 -0.083 0.000 1.069 256 I CA -0.377 60.813 61.300 -0.183 0.000 1.237 256 I CB 0.654 38.311 38.000 -0.572 0.000 1.418 256 I HN 0.079 nan 8.210 nan 0.000 0.481 257 E N 5.612 125.794 120.200 -0.029 0.000 2.231 257 E HA 0.292 4.643 4.350 0.001 0.000 0.277 257 E C -0.146 176.477 176.600 0.038 0.000 0.999 257 E CA -0.708 55.706 56.400 0.024 0.000 0.827 257 E CB 0.776 30.485 29.700 0.015 0.000 1.101 257 E HN 0.500 nan 8.360 nan 0.000 0.393 258 N N 2.293 121.044 118.700 0.085 0.000 2.686 258 N HA -0.263 4.478 4.740 0.001 0.000 0.249 258 N C -1.039 174.537 175.510 0.109 0.000 1.082 258 N CA 0.607 53.715 53.050 0.096 0.000 0.725 258 N CB -0.828 37.692 38.487 0.055 0.000 1.009 258 N HN 0.720 nan 8.380 nan 0.000 0.545 259 D N -2.273 118.218 120.400 0.152 0.000 2.981 259 D HA -0.146 4.495 4.640 0.001 0.000 0.223 259 D C -0.524 175.734 176.300 -0.070 0.000 1.151 259 D CA 1.117 55.189 54.000 0.119 0.000 0.827 259 D CB -0.773 40.165 40.800 0.230 0.000 1.101 259 D HN 0.318 nan 8.370 nan 0.000 0.426 260 V N 1.009 120.871 119.914 -0.086 0.000 2.384 260 V HA 0.492 4.613 4.120 0.001 0.000 0.287 260 V C -1.141 174.877 176.094 -0.126 0.000 1.020 260 V CA -0.908 61.317 62.300 -0.125 0.000 0.850 260 V CB 1.247 33.005 31.823 -0.107 0.000 0.987 260 V HN 0.175 nan 8.190 nan 0.000 0.436 261 Y N 8.077 128.196 120.300 -0.302 0.000 2.504 261 Y HA 0.489 5.040 4.550 0.001 0.000 0.339 261 Y C 0.319 176.056 175.900 -0.271 0.000 0.974 261 Y CA -1.338 56.586 58.100 -0.294 0.000 1.232 261 Y CB 0.696 38.945 38.460 -0.351 0.000 1.108 261 Y HN 0.722 nan 8.280 nan 0.000 0.509 262 K N 5.211 125.249 120.400 -0.605 0.000 2.234 262 K HA 0.305 4.626 4.320 0.001 0.000 0.282 262 K C -0.863 175.264 176.600 -0.788 0.000 1.039 262 K CA -0.332 55.556 56.287 -0.666 0.000 0.928 262 K CB 0.821 33.094 32.500 -0.379 0.000 1.039 262 K HN 0.582 nan 8.250 nan 0.000 0.470 276 V N 0.975 120.694 119.914 -0.325 0.000 3.087 276 V HA 0.483 4.604 4.120 0.001 0.000 0.306 276 V C -1.302 174.661 176.094 -0.217 0.000 1.187 276 V CA -0.975 61.184 62.300 -0.235 0.000 0.999 276 V CB 1.865 33.554 31.823 -0.224 0.000 1.049 276 V HN 0.722 nan 8.190 nan 0.000 0.431 277 L N 3.674 124.783 121.223 -0.190 0.000 2.282 277 L HA 0.612 4.952 4.340 0.001 0.000 0.288 277 L C -0.720 175.977 176.870 -0.288 0.000 1.033 277 L CA 0.064 54.792 54.840 -0.187 0.000 0.807 277 L CB 1.084 43.082 42.059 -0.103 0.000 1.209 277 L HN 0.577 nan 8.230 nan 0.000 0.423 278 L N 5.678 126.624 121.223 -0.461 0.000 2.268 278 L HA 0.470 4.810 4.340 0.001 0.000 0.289 278 L C -0.335 176.187 176.870 -0.580 0.000 1.064 278 L CA -0.058 54.218 54.840 -0.940 0.000 0.824 278 L CB 0.600 41.606 42.059 -1.756 0.000 1.202 278 L HN 0.646 nan 8.230 nan 0.000 0.433 279 D N 1.078 121.382 120.400 -0.160 0.000 2.610 279 D HA 0.152 4.793 4.640 0.001 0.000 0.271 279 D C 0.274 176.751 176.300 0.294 0.000 1.174 279 D CA -0.471 53.610 54.000 0.136 0.000 0.949 279 D CB 1.893 42.740 40.800 0.078 0.000 1.430 279 D HN 0.417 nan 8.370 nan 0.000 0.467 280 E N -0.289 120.042 120.200 0.219 0.000 2.427 280 E HA -0.040 4.311 4.350 0.001 0.000 0.196 280 E C 0.743 177.413 176.600 0.116 0.000 1.028 280 E CA 0.525 57.020 56.400 0.159 0.000 0.864 280 E CB 0.322 30.080 29.700 0.096 0.000 0.813 280 E HN 0.182 nan 8.360 nan 0.000 0.514 281 K N 0.865 121.327 120.400 0.103 0.000 2.551 281 K HA -0.049 4.271 4.320 0.001 0.000 0.192 281 K C 1.067 177.710 176.600 0.072 0.000 1.027 281 K CA 0.360 56.691 56.287 0.073 0.000 1.059 281 K CB 0.247 32.785 32.500 0.063 0.000 0.831 281 K HN 0.023 nan 8.250 nan 0.000 0.508 282 D N 1.695 122.159 120.400 0.106 0.000 2.366 282 D HA -0.108 4.533 4.640 0.001 0.000 0.205 282 D C 0.766 177.119 176.300 0.088 0.000 1.022 282 D CA 0.895 54.961 54.000 0.111 0.000 0.868 282 D CB 0.326 41.239 40.800 0.189 0.000 0.953 282 D HN 0.283 nan 8.370 nan 0.000 0.514 283 D N -0.619 119.832 120.400 0.085 0.000 2.550 283 D HA -0.295 4.346 4.640 0.001 0.000 0.169 283 D C 1.129 177.454 176.300 0.041 0.000 1.466 283 D CA 1.744 55.771 54.000 0.046 0.000 1.315 283 D CB -1.228 39.584 40.800 0.018 0.000 1.201 283 D HN 0.369 nan 8.370 nan 0.000 0.420 284 L N -1.848 119.406 121.223 0.052 0.000 2.130 284 L HA 0.141 4.482 4.340 0.001 0.000 0.200 284 L C 2.300 179.255 176.870 0.141 0.000 1.075 284 L CA 0.936 55.793 54.840 0.028 0.000 0.768 284 L CB -0.678 41.292 42.059 -0.148 0.000 0.933 284 L HN 0.254 nan 8.230 nan 0.000 0.451 285 W N 0.543 121.863 121.300 0.033 0.000 2.364 285 W HA -0.173 4.488 4.660 0.001 0.000 0.281 285 W C 2.124 178.618 176.519 -0.042 0.000 1.219 285 W CA 1.206 58.598 57.345 0.079 0.000 1.220 285 W CB -0.247 29.267 29.460 0.089 0.000 1.127 285 W HN -0.158 nan 8.180 nan 0.000 0.556 286 V N 0.111 120.022 119.914 -0.005 0.000 2.720 286 V HA -0.184 3.937 4.120 0.001 0.000 0.256 286 V C 1.346 177.289 176.094 -0.251 0.000 1.082 286 V CA 1.695 63.863 62.300 -0.220 0.000 1.101 286 V CB -0.732 31.034 31.823 -0.094 0.000 0.693 286 V HN 0.116 nan 8.190 nan 0.000 0.479 290 H N 1.754 120.710 119.070 -0.190 0.000 2.551 290 H HA 0.357 4.914 4.556 0.001 0.000 0.271 290 H C 0.018 175.340 175.328 -0.011 0.000 0.984 290 H CA -0.017 55.974 56.048 -0.094 0.000 1.164 290 H CB 0.279 29.974 29.762 -0.112 0.000 1.437 290 H HN 0.310 nan 8.280 nan 0.000 0.550 291 Q N 0.952 120.809 119.800 0.095 0.000 2.364 291 Q HA -0.013 4.327 4.340 0.001 0.000 0.267 291 Q C 0.304 176.344 176.000 0.067 0.000 0.999 291 Q CA 0.027 55.876 55.803 0.076 0.000 0.886 291 Q CB 0.958 29.706 28.738 0.016 0.000 1.243 291 Q HN 0.338 nan 8.270 nan 0.000 0.415 292 H N 2.325 121.372 119.070 -0.037 0.000 2.764 292 H HA -0.034 4.523 4.556 0.001 0.000 0.341 292 H C 0.822 176.024 175.328 -0.211 0.000 1.072 292 H CA -0.006 55.962 56.048 -0.133 0.000 1.444 292 H CB 0.881 30.506 29.762 -0.228 0.000 1.458 292 H HN 0.704 nan 8.280 nan 0.000 0.572 293 I N 4.870 125.357 120.570 -0.139 0.000 2.502 293 I HA -0.244 3.927 4.170 0.001 0.000 0.258 293 I C 2.104 178.170 176.117 -0.085 0.000 1.172 293 I CA 1.802 63.008 61.300 -0.157 0.000 1.430 293 I CB -0.562 37.321 38.000 -0.196 0.000 1.086 293 I HN 0.718 nan 8.210 nan 0.000 0.440 294 A N -0.443 122.425 122.820 0.080 0.000 2.121 294 A HA -0.062 4.259 4.320 0.001 0.000 0.218 294 A C 1.905 179.436 177.584 -0.087 0.000 1.154 294 A CA 1.768 53.722 52.037 -0.138 0.000 0.679 294 A CB -0.772 17.930 19.000 -0.497 0.000 0.795 294 A HN 0.616 nan 8.150 nan 0.000 0.458 295 V N -4.959 114.913 119.914 -0.071 0.000 3.330 295 V HA 0.214 4.335 4.120 0.001 0.000 0.309 295 V C 1.480 177.505 176.094 -0.116 0.000 1.481 295 V CA 0.390 62.652 62.300 -0.063 0.000 1.068 295 V CB -0.425 31.394 31.823 -0.008 0.000 0.935 295 V HN 0.014 nan 8.190 nan 0.000 0.453 296 V N 0.820 120.614 119.914 -0.200 0.000 2.237 296 V HA -0.213 3.908 4.120 0.001 0.000 0.245 296 V C 2.792 178.743 176.094 -0.239 0.000 1.046 296 V CA 2.933 65.054 62.300 -0.298 0.000 1.007 296 V CB -0.569 30.873 31.823 -0.635 0.000 0.638 296 V HN 0.668 nan 8.190 nan 0.000 0.445 297 S N -1.079 114.494 115.700 -0.210 0.000 2.356 297 S HA -0.312 4.159 4.470 0.001 0.000 0.223 297 S C 2.113 176.632 174.600 -0.134 0.000 1.032 297 S CA 2.273 60.378 58.200 -0.158 0.000 1.005 297 S CB -0.341 62.789 63.200 -0.117 0.000 0.867 297 S HN 0.677 nan 8.310 nan 0.000 0.449 298 Q N 0.833 120.568 119.800 -0.107 0.000 2.014 298 Q HA -0.202 4.138 4.340 0.001 0.000 0.207 298 Q C 1.895 177.841 176.000 -0.090 0.000 0.993 298 Q CA 2.211 57.967 55.803 -0.079 0.000 0.850 298 Q CB -0.504 28.201 28.738 -0.055 0.000 0.916 298 Q HN 0.741 nan 8.270 nan 0.000 0.417 299 N N -0.376 118.263 118.700 -0.103 0.000 2.289 299 N HA -0.140 4.601 4.740 0.001 0.000 0.184 299 N C 1.830 177.238 175.510 -0.169 0.000 1.016 299 N CA 0.768 53.756 53.050 -0.104 0.000 0.872 299 N CB -0.011 38.423 38.487 -0.087 0.000 0.973 299 N HN 0.105 nan 8.380 nan 0.000 0.433 300 V N 1.414 121.175 119.914 -0.256 0.000 2.469 300 V HA -0.219 3.902 4.120 0.001 0.000 0.251 300 V C 2.423 178.300 176.094 -0.362 0.000 1.064 300 V CA 2.366 64.377 62.300 -0.481 0.000 1.066 300 V CB -0.562 30.947 31.823 -0.524 0.000 0.667 300 V HN 0.560 nan 8.190 nan 0.000 0.461 301 T N -3.965 110.481 114.554 -0.180 0.000 3.031 301 T HA -0.000 4.350 4.350 0.001 0.000 0.254 301 T C 1.808 176.494 174.700 -0.023 0.000 1.060 301 T CA 0.123 62.180 62.100 -0.072 0.000 1.135 301 T CB -0.243 68.608 68.868 -0.028 0.000 0.896 301 T HN 0.269 nan 8.240 nan 0.000 0.472 302 K N 1.484 121.860 120.400 -0.040 0.000 2.360 302 K HA 0.035 4.356 4.320 0.001 0.000 0.201 302 K C 1.972 178.580 176.600 0.012 0.000 1.046 302 K CA 1.017 57.299 56.287 -0.009 0.000 0.945 302 K CB -0.089 32.399 32.500 -0.018 0.000 0.750 302 K HN 0.567 nan 8.250 nan 0.000 0.464 303 K N -0.116 120.282 120.400 -0.002 0.000 2.350 303 K HA 0.060 4.381 4.320 0.001 0.000 0.196 303 K C 1.848 178.514 176.600 0.109 0.000 1.084 303 K CA -0.009 56.305 56.287 0.045 0.000 0.967 303 K CB 0.128 32.642 32.500 0.025 0.000 0.950 303 K HN -0.101 nan 8.250 nan 0.000 0.512 304 L N 1.899 123.161 121.223 0.065 0.000 2.141 304 L HA -0.033 4.308 4.340 0.001 0.000 0.209 304 L C 2.022 179.065 176.870 0.289 0.000 1.094 304 L CA 1.695 56.614 54.840 0.133 0.000 0.763 304 L CB -0.226 41.844 42.059 0.018 0.000 0.908 304 L HN 0.061 nan 8.230 nan 0.000 0.437 305 K N -0.417 120.105 120.400 0.203 0.000 2.167 305 K HA -0.174 4.147 4.320 0.001 0.000 0.203 305 K C 2.104 178.808 176.600 0.174 0.000 1.052 305 K CA 1.470 57.874 56.287 0.196 0.000 0.956 305 K CB -0.240 32.325 32.500 0.109 0.000 0.735 305 K HN 0.530 nan 8.250 nan 0.000 0.451 306 Q N -0.983 118.911 119.800 0.157 0.000 2.291 306 Q HA -0.135 4.206 4.340 0.001 0.000 0.205 306 Q C 1.598 177.699 176.000 0.168 0.000 0.970 306 Q CA 1.126 57.006 55.803 0.127 0.000 0.876 306 Q CB -0.137 28.664 28.738 0.105 0.000 0.935 306 Q HN 0.415 nan 8.270 nan 0.000 0.455 307 F N 0.045 120.050 119.950 0.091 0.000 2.274 307 F HA 0.304 4.832 4.527 0.001 0.000 0.288 307 F C 1.720 177.598 175.800 0.130 0.000 1.069 307 F CA 0.915 58.975 58.000 0.099 0.000 1.343 307 F CB -0.328 38.729 39.000 0.096 0.000 1.089 307 F HN 0.045 nan 8.300 nan 0.000 0.517 308 A N -0.474 122.595 122.820 0.414 0.000 2.258 308 A HA -0.019 4.301 4.320 0.001 0.000 0.206 308 A C 1.557 179.169 177.584 0.047 0.000 1.222 308 A CA 1.246 53.445 52.037 0.269 0.000 0.822 308 A CB -0.909 18.331 19.000 0.401 0.000 0.804 308 A HN 0.557 nan 8.150 nan 0.000 0.483 309 D N -0.995 119.407 120.400 0.004 0.000 2.626 309 D HA -0.010 4.630 4.640 0.001 0.000 0.274 309 D C 1.462 177.724 176.300 -0.063 0.000 1.045 309 D CA 0.363 54.353 54.000 -0.016 0.000 0.925 309 D CB 0.216 41.027 40.800 0.018 0.000 1.260 309 D HN 0.502 nan 8.370 nan 0.000 0.490 310 E N 0.397 120.540 120.200 -0.096 0.000 2.409 310 E HA -0.076 4.275 4.350 0.001 0.000 0.198 310 E C 0.449 176.954 176.600 -0.158 0.000 1.024 310 E CA 0.619 56.953 56.400 -0.111 0.000 0.861 310 E CB 0.322 29.958 29.700 -0.107 0.000 0.788 310 E HN -0.047 nan 8.360 nan 0.000 0.521 311 K N 1.299 121.565 120.400 -0.223 0.000 3.129 311 K HA 0.261 4.582 4.320 0.001 0.000 0.241 311 K C -0.052 176.481 176.600 -0.111 0.000 1.239 311 K CA 0.088 56.252 56.287 -0.205 0.000 1.239 311 K CB 0.290 32.602 32.500 -0.314 0.000 1.347 311 K HN 0.048 nan 8.250 nan 0.000 0.435 322 I N 1.391 121.958 120.570 -0.006 0.000 2.331 322 I HA 0.426 4.597 4.170 0.001 0.000 0.292 322 I C 0.298 176.411 176.117 -0.007 0.000 0.998 322 I CA -0.638 60.659 61.300 -0.006 0.000 1.267 322 I CB 1.966 39.963 38.000 -0.006 0.000 1.386 322 I HN 0.186 nan 8.210 nan 0.000 0.476 323 K N 5.678 126.073 120.400 -0.008 0.000 2.274 323 K HA 0.216 4.536 4.320 0.001 0.000 0.262 323 K C -1.033 175.560 176.600 -0.011 0.000 0.961 323 K CA -0.620 55.660 56.287 -0.010 0.000 0.833 323 K CB 1.262 33.755 32.500 -0.012 0.000 1.102 323 K HN 0.505 nan 8.250 nan 0.000 0.436 324 D N 5.368 125.761 120.400 -0.012 0.000 2.359 324 D HA 0.118 4.759 4.640 0.001 0.000 0.230 324 D C 0.013 176.304 176.300 -0.015 0.000 1.118 324 D CA -0.431 53.562 54.000 -0.012 0.000 0.844 324 D CB 1.087 41.881 40.800 -0.010 0.000 1.059 324 D HN 0.409 nan 8.370 nan 0.000 0.493 325 L N 3.494 124.707 121.223 -0.015 0.000 2.688 325 L HA 0.104 4.445 4.340 0.001 0.000 0.234 325 L C 1.972 178.831 176.870 -0.017 0.000 1.192 325 L CA 0.218 55.047 54.840 -0.020 0.000 0.984 325 L CB -0.679 41.367 42.059 -0.021 0.000 1.232 325 L HN 0.267 nan 8.230 nan 0.000 0.465 326 S N -0.848 114.844 115.700 -0.014 0.000 2.361 326 S HA -0.137 4.334 4.470 0.001 0.000 0.214 326 S C 0.960 175.554 174.600 -0.011 0.000 1.034 326 S CA 0.666 58.860 58.200 -0.010 0.000 1.025 326 S CB -0.107 63.089 63.200 -0.008 0.000 0.996 326 S HN 0.446 nan 8.310 nan 0.000 0.422 330 K N 1.592 121.999 120.400 0.011 0.000 2.360 330 K HA 0.004 4.325 4.320 0.001 0.000 0.201 330 K C 0.306 176.925 176.600 0.033 0.000 1.046 330 K CA 0.915 57.212 56.287 0.018 0.000 0.945 330 K CB -0.041 32.466 32.500 0.011 0.000 0.750 330 K HN 0.413 nan 8.250 nan 0.000 0.464 334 Q N -0.998 118.900 119.800 0.164 0.000 2.226 334 Q HA -0.179 4.162 4.340 0.001 0.000 0.204 334 Q C 1.928 178.070 176.000 0.237 0.000 0.975 334 Q CA 1.376 57.298 55.803 0.198 0.000 0.866 334 Q CB -0.072 28.818 28.738 0.253 0.000 0.915 334 Q HN 0.438 nan 8.270 nan 0.000 0.440 335 Y N 0.810 121.217 120.300 0.178 0.000 2.092 335 Y HA -0.230 4.321 4.550 0.001 0.000 0.282 335 Y C 2.239 178.155 175.900 0.028 0.000 1.126 335 Y CA 1.765 59.960 58.100 0.158 0.000 1.111 335 Y CB -0.163 38.397 38.460 0.166 0.000 0.987 335 Y HN 0.102 nan 8.280 nan 0.000 0.489 336 Q N 0.868 120.769 119.800 0.169 0.000 2.389 336 Q HA -0.230 4.111 4.340 0.001 0.000 0.213 336 Q C 1.908 177.875 176.000 -0.055 0.000 0.989 336 Q CA 1.753 57.587 55.803 0.053 0.000 0.891 336 Q CB -0.300 28.499 28.738 0.103 0.000 0.923 336 Q HN 0.604 nan 8.270 nan 0.000 0.455 337 K N 0.131 120.488 120.400 -0.071 0.000 2.031 337 K HA -0.099 4.222 4.320 0.001 0.000 0.205 337 K C 1.954 178.422 176.600 -0.220 0.000 1.049 337 K CA 0.837 57.060 56.287 -0.107 0.000 0.939 337 K CB 0.126 32.585 32.500 -0.069 0.000 0.717 337 K HN 0.094 nan 8.250 nan 0.000 0.438 338 E N 1.391 121.370 120.200 -0.369 0.000 2.028 338 E HA -0.182 4.169 4.350 0.001 0.000 0.191 338 E C 2.088 178.468 176.600 -0.367 0.000 0.988 338 E CA 0.761 56.852 56.400 -0.515 0.000 0.799 338 E CB -0.559 28.603 29.700 -0.897 0.000 0.755 338 E HN 0.235 nan 8.360 nan 0.000 0.447 339 L N 1.253 122.254 121.223 -0.369 0.000 2.197 339 L HA -0.212 4.129 4.340 0.001 0.000 0.215 339 L C 1.905 178.751 176.870 -0.041 0.000 1.095 339 L CA 1.268 56.013 54.840 -0.159 0.000 0.764 339 L CB -0.051 41.901 42.059 -0.179 0.000 0.897 339 L HN -0.007 nan 8.230 nan 0.000 0.436 340 S N -0.834 114.804 115.700 -0.103 0.000 2.496 340 S HA -0.013 4.457 4.470 0.001 0.000 0.224 340 S C 1.681 176.221 174.600 -0.100 0.000 0.996 340 S CA 0.208 58.374 58.200 -0.057 0.000 0.927 340 S CB 0.034 63.201 63.200 -0.054 0.000 0.774 340 S HN 0.392 nan 8.310 nan 0.000 0.524 341 K N 0.650 120.899 120.400 -0.253 0.000 2.283 341 K HA -0.014 4.307 4.320 0.001 0.000 0.202 341 K C 0.600 176.936 176.600 -0.440 0.000 1.048 341 K CA 1.057 57.098 56.287 -0.409 0.000 0.948 341 K CB -0.178 31.921 32.500 -0.669 0.000 0.742 341 K HN 0.502 nan 8.250 nan 0.000 0.458 342 Y N 0.273 120.539 120.300 -0.057 0.000 2.444 342 Y HA 0.135 4.686 4.550 0.001 0.000 0.249 342 Y C 2.165 178.142 175.900 0.129 0.000 1.134 342 Y CA -0.319 57.783 58.100 0.002 0.000 1.261 342 Y CB 0.132 38.568 38.460 -0.040 0.000 1.143 342 Y HN -0.084 nan 8.280 nan 0.000 0.523 343 S N 0.271 116.100 115.700 0.215 0.000 2.434 343 S HA -0.333 4.138 4.470 0.001 0.000 0.240 343 S C 2.281 177.049 174.600 0.280 0.000 1.052 343 S CA 2.808 61.132 58.200 0.205 0.000 1.198 343 S CB -1.037 62.245 63.200 0.136 0.000 1.124 343 S HN 0.706 nan 8.310 nan 0.000 0.426 344 T N -0.032 114.680 114.554 0.262 0.000 2.788 344 T HA -0.164 4.187 4.350 0.001 0.000 0.268 344 T C 1.469 176.330 174.700 0.268 0.000 1.044 344 T CA 1.853 64.088 62.100 0.226 0.000 1.139 344 T CB -0.743 68.158 68.868 0.055 0.000 0.867 344 T HN 0.498 nan 8.240 nan 0.000 0.454 345 H N 1.305 120.523 119.070 0.247 0.000 2.389 345 H HA 0.256 4.813 4.556 0.001 0.000 0.299 345 H C 2.172 177.694 175.328 0.323 0.000 1.081 345 H CA 1.093 57.327 56.048 0.311 0.000 1.345 345 H CB -0.556 29.421 29.762 0.359 0.000 1.393 345 H HN 0.264 nan 8.280 nan 0.000 0.520 346 L N -0.347 121.093 121.223 0.363 0.000 2.141 346 L HA -0.173 4.168 4.340 0.001 0.000 0.209 346 L C 2.295 179.283 176.870 0.196 0.000 1.094 346 L CA 1.009 55.970 54.840 0.202 0.000 0.763 346 L CB -0.348 41.791 42.059 0.133 0.000 0.908 346 L HN 0.447 nan 8.230 nan 0.000 0.437 347 H N -0.283 118.905 119.070 0.197 0.000 2.524 347 H HA -0.080 4.477 4.556 0.001 0.000 0.282 347 H C 1.893 177.361 175.328 0.234 0.000 1.016 347 H CA 1.058 57.232 56.048 0.211 0.000 1.270 347 H CB 0.494 30.398 29.762 0.236 0.000 1.394 347 H HN 0.207 nan 8.280 nan 0.000 0.568 348 L N 0.133 121.536 121.223 0.300 0.000 2.130 348 L HA 0.143 4.483 4.340 0.001 0.000 0.200 348 L C 2.596 179.573 176.870 0.178 0.000 1.075 348 L CA 1.657 56.490 54.840 -0.012 0.000 0.768 348 L CB -1.001 40.965 42.059 -0.155 0.000 0.933 348 L HN 0.115 nan 8.230 nan 0.000 0.451 349 A N -0.625 122.379 122.820 0.307 0.000 1.908 349 A HA -0.244 4.077 4.320 0.001 0.000 0.218 349 A C 2.141 179.758 177.584 0.055 0.000 1.181 349 A CA 1.951 54.053 52.037 0.110 0.000 0.627 349 A CB -0.682 18.195 19.000 -0.205 0.000 0.818 349 A HN 0.603 nan 8.150 nan 0.000 0.445 350 E N -0.391 119.843 120.200 0.057 0.000 2.058 350 E HA -0.227 4.124 4.350 0.001 0.000 0.194 350 E C 1.673 178.312 176.600 0.065 0.000 0.997 350 E CA 1.362 57.780 56.400 0.030 0.000 0.801 350 E CB -0.254 29.435 29.700 -0.017 0.000 0.746 350 E HN 0.566 nan 8.360 nan 0.000 0.450 351 D N 0.223 120.690 120.400 0.112 0.000 2.123 351 D HA -0.106 4.535 4.640 0.001 0.000 0.196 351 D C 0.858 177.214 176.300 0.094 0.000 0.992 351 D CA 0.625 54.698 54.000 0.123 0.000 0.833 351 D CB -0.175 40.723 40.800 0.163 0.000 0.954 351 D HN 0.130 nan 8.370 nan 0.000 0.455 355 Q N -0.148 119.703 119.800 0.086 0.000 2.096 355 Q HA -0.045 4.296 4.340 0.001 0.000 0.204 355 Q C 1.866 177.952 176.000 0.144 0.000 0.982 355 Q CA 2.330 58.179 55.803 0.077 0.000 0.850 355 Q CB -0.424 28.387 28.738 0.123 0.000 0.901 355 Q HN 0.488 nan 8.270 nan 0.000 0.422 356 Y N 0.131 120.472 120.300 0.067 0.000 2.092 356 Y HA -0.225 4.326 4.550 0.001 0.000 0.282 356 Y C 2.031 177.965 175.900 0.057 0.000 1.126 356 Y CA 1.855 59.995 58.100 0.067 0.000 1.111 356 Y CB -0.108 38.376 38.460 0.040 0.000 0.987 356 Y HN 0.114 nan 8.280 nan 0.000 0.489 357 Q N 0.543 120.450 119.800 0.180 0.000 2.368 357 Q HA -0.263 4.078 4.340 0.001 0.000 0.210 357 Q C 2.074 178.058 176.000 -0.025 0.000 0.982 357 Q CA 1.745 57.587 55.803 0.064 0.000 0.884 357 Q CB -0.344 28.466 28.738 0.120 0.000 0.933 357 Q HN 0.714 nan 8.270 nan 0.000 0.460 358 Q N -0.210 119.575 119.800 -0.025 0.000 2.020 358 Q HA -0.158 4.183 4.340 0.001 0.000 0.198 358 Q C 1.265 177.253 176.000 -0.021 0.000 0.974 358 Q CA 1.783 57.546 55.803 -0.066 0.000 0.829 358 Q CB 0.221 28.866 28.738 -0.156 0.000 0.894 358 Q HN 0.788 nan 8.270 nan 0.000 0.433 359 H N -5.363 113.619 119.070 -0.147 0.000 3.943 359 H HA 0.207 4.764 4.556 0.001 0.000 0.265 359 H C 1.354 176.524 175.328 -0.264 0.000 1.133 359 H CA 0.314 56.262 56.048 -0.165 0.000 1.188 359 H CB 0.183 29.885 29.762 -0.100 0.000 1.486 359 H HN 0.016 nan 8.280 nan 0.000 0.795 360 V N 3.212 123.033 119.914 -0.155 0.000 2.358 360 V HA -0.268 3.853 4.120 0.001 0.000 0.246 360 V C 2.479 178.210 176.094 -0.605 0.000 1.047 360 V CA 2.251 64.256 62.300 -0.491 0.000 1.035 360 V CB -0.469 31.180 31.823 -0.290 0.000 0.658 360 V HN 0.646 nan 8.190 nan 0.000 0.452 361 D N 1.121 120.964 120.400 -0.928 0.000 2.126 361 D HA -0.329 4.312 4.640 0.001 0.000 0.190 361 D C 1.873 178.007 176.300 -0.275 0.000 1.001 361 D CA 1.853 55.420 54.000 -0.721 0.000 0.841 361 D CB -0.382 40.076 40.800 -0.569 0.000 0.949 361 D HN 0.438 nan 8.370 nan 0.000 0.446 362 K N 0.324 120.584 120.400 -0.232 0.000 2.097 362 K HA -0.023 4.298 4.320 0.001 0.000 0.206 362 K C 2.566 179.088 176.600 -0.130 0.000 1.049 362 K CA 0.724 56.930 56.287 -0.135 0.000 0.933 362 K CB -0.102 32.334 32.500 -0.107 0.000 0.717 362 K HN 0.238 nan 8.250 nan 0.000 0.442 363 L N 0.280 121.379 121.223 -0.205 0.000 2.109 363 L HA -0.187 4.154 4.340 0.001 0.000 0.207 363 L C 2.531 179.339 176.870 -0.103 0.000 1.086 363 L CA 0.742 55.473 54.840 -0.182 0.000 0.760 363 L CB -0.583 41.269 42.059 -0.345 0.000 0.910 363 L HN 0.282 nan 8.230 nan 0.000 0.437 364 C N 0.735 119.973 119.300 -0.104 0.000 2.429 364 C HA -0.160 4.301 4.460 0.001 0.000 0.277 364 C C 2.838 177.844 174.990 0.025 0.000 1.262 364 C CA 1.131 60.153 59.018 0.007 0.000 1.733 364 C CB -0.877 26.913 27.740 0.085 0.000 2.010 364 C HN 0.569 nan 8.230 nan 0.000 0.483 365 K N 1.123 121.531 120.400 0.012 0.000 2.044 365 K HA -0.159 4.162 4.320 0.001 0.000 0.210 365 K C 1.731 178.341 176.600 0.016 0.000 1.049 365 K CA 2.007 58.308 56.287 0.023 0.000 0.927 365 K CB -0.754 31.755 32.500 0.014 0.000 0.713 365 K HN 0.370 nan 8.250 nan 0.000 0.443 366 V N 2.006 121.922 119.914 0.003 0.000 2.323 366 V HA -0.172 3.949 4.120 0.001 0.000 0.244 366 V C 2.293 178.396 176.094 0.015 0.000 1.041 366 V CA 1.881 64.189 62.300 0.012 0.000 1.025 366 V CB -0.525 31.304 31.823 0.009 0.000 0.656 366 V HN 0.367 nan 8.190 nan 0.000 0.451 367 E N -0.274 119.932 120.200 0.010 0.000 2.070 367 E HA -0.272 4.078 4.350 0.001 0.000 0.197 367 E C 2.415 179.008 176.600 -0.012 0.000 1.004 367 E CA 1.436 57.833 56.400 -0.004 0.000 0.805 367 E CB -0.174 29.532 29.700 0.011 0.000 0.744 367 E HN 0.511 nan 8.360 nan 0.000 0.451 368 Q N 0.706 120.518 119.800 0.021 0.000 2.096 368 Q HA -0.175 4.166 4.340 0.001 0.000 0.204 368 Q C 1.752 177.779 176.000 0.045 0.000 0.982 368 Q CA 1.233 57.065 55.803 0.048 0.000 0.850 368 Q CB -0.292 28.487 28.738 0.067 0.000 0.901 368 Q HN 0.314 nan 8.270 nan 0.000 0.422 369 D N 0.288 120.702 120.400 0.023 0.000 2.117 369 D HA -0.093 4.547 4.640 0.001 0.000 0.197 369 D C 2.164 178.436 176.300 -0.047 0.000 0.987 369 D CA 0.715 54.716 54.000 0.001 0.000 0.829 369 D CB -0.211 40.587 40.800 -0.003 0.000 0.961 369 D HN 0.194 nan 8.370 nan 0.000 0.460 370 L N 0.588 121.784 121.223 -0.044 0.000 2.027 370 L HA -0.024 4.316 4.340 0.001 0.000 0.206 370 L C 1.555 178.407 176.870 -0.029 0.000 1.074 370 L CA 0.493 55.282 54.840 -0.085 0.000 0.745 370 L CB -0.559 41.504 42.059 0.006 0.000 0.898 370 L HN -0.057 nan 8.230 nan 0.000 0.433 374 T N -0.214 114.369 114.554 0.047 0.000 2.903 374 T HA 0.597 4.948 4.350 0.001 0.000 0.299 374 T C -0.680 174.046 174.700 0.043 0.000 1.093 374 T CA -0.251 61.877 62.100 0.047 0.000 1.002 374 T CB 2.606 71.519 68.868 0.075 0.000 1.127 374 T HN 0.094 nan 8.240 nan 0.000 0.488 375 D N 1.238 121.658 120.400 0.033 0.000 2.414 375 D HA 0.488 5.129 4.640 0.001 0.000 0.251 375 D C 1.710 178.046 176.300 0.060 0.000 1.252 375 D CA -0.380 53.640 54.000 0.034 0.000 0.999 375 D CB 0.032 40.843 40.800 0.018 0.000 1.093 375 D HN 0.670 nan 8.370 nan 0.000 0.515 376 A N -0.334 122.523 122.820 0.062 0.000 2.024 376 A HA -0.182 4.139 4.320 0.001 0.000 0.220 376 A C 1.384 179.020 177.584 0.087 0.000 1.164 376 A CA 1.465 53.554 52.037 0.088 0.000 0.643 376 A CB -0.602 18.444 19.000 0.078 0.000 0.806 376 A HN 0.555 nan 8.150 nan 0.000 0.451 377 D N -1.515 118.920 120.400 0.058 0.000 2.340 377 D HA 0.258 4.899 4.640 0.001 0.000 0.220 377 D C 1.389 177.715 176.300 0.043 0.000 1.039 377 D CA 1.038 55.064 54.000 0.044 0.000 0.866 377 D CB 0.176 40.992 40.800 0.027 0.000 0.913 377 D HN 0.598 nan 8.370 nan 0.000 0.523 378 G N 0.843 109.679 108.800 0.060 0.000 2.175 378 G HA2 -0.229 3.732 3.960 0.001 0.000 0.244 378 G HA3 -0.229 3.732 3.960 0.001 0.000 0.244 378 G C 0.198 175.124 174.900 0.043 0.000 0.982 378 G CA -0.276 44.859 45.100 0.057 0.000 0.641 378 G HN 0.204 nan 8.290 nan 0.000 0.527 379 E N 1.208 121.427 120.200 0.032 0.000 2.313 379 E HA 0.361 4.712 4.350 0.001 0.000 0.272 379 E C 0.645 177.257 176.600 0.019 0.000 1.038 379 E CA -0.498 55.914 56.400 0.020 0.000 0.863 379 E CB 0.849 30.555 29.700 0.010 0.000 1.060 379 E HN 0.227 nan 8.360 nan 0.000 0.402 380 K N 1.781 122.191 120.400 0.016 0.000 2.440 380 K HA 0.110 4.430 4.320 0.001 0.000 0.270 380 K C 0.798 177.398 176.600 0.001 0.000 0.980 380 K CA 0.057 56.355 56.287 0.018 0.000 0.953 380 K CB 0.187 32.698 32.500 0.017 0.000 0.925 380 K HN 0.520 nan 8.250 nan 0.000 0.497 381 I N -0.418 120.151 120.570 -0.002 0.000 2.677 381 I HA 0.521 4.691 4.170 0.001 0.000 0.305 381 I C 0.295 176.332 176.117 -0.132 0.000 0.988 381 I CA -0.834 60.427 61.300 -0.066 0.000 1.260 381 I CB 1.405 39.352 38.000 -0.087 0.000 1.410 381 I HN 0.514 nan 8.210 nan 0.000 0.523 382 R N 1.528 121.846 120.500 -0.302 0.000 2.747 382 R HA 0.302 4.642 4.340 0.001 0.000 0.272 382 R C -1.214 174.814 176.300 -0.453 0.000 1.032 382 R CA -0.693 55.162 56.100 -0.408 0.000 0.896 382 R CB -0.148 30.070 30.300 -0.137 0.000 1.253 382 R HN 0.769 nan 8.270 nan 0.000 0.461 383 D N 1.696 121.917 120.400 -0.299 0.000 2.697 383 D HA -0.134 4.507 4.640 0.001 0.000 0.238 383 D C -0.027 176.197 176.300 -0.128 0.000 1.152 383 D CA 1.040 54.962 54.000 -0.131 0.000 0.666 383 D CB -0.953 39.799 40.800 -0.080 0.000 1.037 383 D HN 0.480 nan 8.370 nan 0.000 0.423 387 N N 0.038 118.741 118.700 0.006 0.000 2.332 387 N HA 0.167 4.908 4.740 0.001 0.000 0.190 387 N C 0.954 176.464 175.510 -0.000 0.000 1.117 387 N CA 0.410 53.461 53.050 0.002 0.000 0.883 387 N CB 0.690 39.181 38.487 0.006 0.000 1.089 387 N HN -0.035 nan 8.380 nan 0.000 0.480 388 I N 1.060 121.628 120.570 -0.002 0.000 2.162 388 I HA -0.134 4.036 4.170 0.001 0.000 0.238 388 I C 2.286 178.394 176.117 -0.015 0.000 1.076 388 I CA 1.019 62.303 61.300 -0.025 0.000 1.353 388 I CB -1.167 36.774 38.000 -0.098 0.000 1.063 388 I HN -0.089 nan 8.210 nan 0.000 0.408 389 V N 2.224 122.136 119.914 -0.004 0.000 2.250 389 V HA -0.235 3.885 4.120 0.001 0.000 0.253 389 V C -0.056 176.044 176.094 0.010 0.000 1.065 389 V CA 2.536 64.850 62.300 0.023 0.000 1.039 389 V CB -2.220 29.614 31.823 0.019 0.000 0.647 389 V HN 0.259 nan 8.190 nan 0.000 0.446 390 P HA -0.153 nan 4.420 nan 0.000 0.217 390 P C 1.672 178.969 177.300 -0.005 0.000 1.148 390 P CA 1.559 64.654 63.100 -0.008 0.000 0.828 390 P CB -0.037 31.657 31.700 -0.011 0.000 0.783 391 I N -2.166 118.402 120.570 -0.004 0.000 2.333 391 I HA -0.153 4.018 4.170 0.001 0.000 0.246 391 I C 1.953 178.077 176.117 0.012 0.000 1.106 391 I CA 1.027 62.324 61.300 -0.005 0.000 1.411 391 I CB -0.686 37.306 38.000 -0.014 0.000 1.082 391 I HN -0.168 nan 8.210 nan 0.000 0.420 392 L N -0.182 121.056 121.223 0.025 0.000 2.046 392 L HA -0.131 4.210 4.340 0.001 0.000 0.208 392 L C 1.849 178.766 176.870 0.077 0.000 1.077 392 L CA 1.772 56.645 54.840 0.055 0.000 0.747 392 L CB -0.766 41.336 42.059 0.072 0.000 0.896 392 L HN 0.172 nan 8.230 nan 0.000 0.432 393 L N -0.432 120.824 121.223 0.054 0.000 2.672 393 L HA 0.069 4.410 4.340 0.001 0.000 0.236 393 L C 0.076 176.944 176.870 -0.003 0.000 1.186 393 L CA -0.157 54.705 54.840 0.036 0.000 0.977 393 L CB -0.459 41.603 42.059 0.005 0.000 1.203 393 L HN 0.124 nan 8.230 nan 0.000 0.448 394 D N 0.596 120.997 120.400 0.001 0.000 2.412 394 D HA 0.023 4.664 4.640 0.001 0.000 0.224 394 D C 0.850 177.141 176.300 -0.016 0.000 1.093 394 D CA -0.114 53.880 54.000 -0.010 0.000 0.850 394 D CB 1.344 42.143 40.800 -0.002 0.000 1.046 394 D HN 0.085 nan 8.370 nan 0.000 0.507 395 Q N 3.054 122.829 119.800 -0.042 0.000 2.364 395 Q HA -0.151 4.190 4.340 0.001 0.000 0.207 395 Q C 1.555 177.540 176.000 -0.026 0.000 0.970 395 Q CA 0.976 56.745 55.803 -0.056 0.000 0.888 395 Q CB 0.287 28.972 28.738 -0.089 0.000 0.951 395 Q HN 0.500 nan 8.270 nan 0.000 0.469 396 K N -0.682 119.712 120.400 -0.009 0.000 2.365 396 K HA 0.056 4.377 4.320 0.001 0.000 0.197 396 K C 0.272 176.899 176.600 0.045 0.000 1.042 396 K CA 0.164 56.456 56.287 0.007 0.000 0.987 396 K CB 0.236 32.738 32.500 0.004 0.000 0.779 396 K HN 0.072 nan 8.250 nan 0.000 0.484 397 I N 3.463 124.063 120.570 0.051 0.000 2.395 397 I HA 0.003 4.174 4.170 0.001 0.000 0.289 397 I C 0.340 176.496 176.117 0.065 0.000 1.023 397 I CA -0.749 60.599 61.300 0.080 0.000 1.350 397 I CB 1.463 39.488 38.000 0.041 0.000 1.409 397 I HN 0.245 nan 8.210 nan 0.000 0.507 398 S N 4.859 120.611 115.700 0.087 0.000 2.573 398 S HA 0.148 4.619 4.470 0.001 0.000 0.277 398 S C 1.199 175.845 174.600 0.077 0.000 1.346 398 S CA -0.145 58.093 58.200 0.065 0.000 1.034 398 S CB 1.413 64.657 63.200 0.075 0.000 0.879 398 S HN 0.749 nan 8.310 nan 0.000 0.528 399 A N 1.561 124.418 122.820 0.063 0.000 2.067 399 A HA 0.033 4.354 4.320 0.001 0.000 0.219 399 A C 1.734 179.476 177.584 0.264 0.000 1.158 399 A CA 0.904 53.012 52.037 0.118 0.000 0.661 399 A CB -0.913 18.138 19.000 0.085 0.000 0.801 399 A HN 0.898 nan 8.150 nan 0.000 0.452 400 Y N 0.386 120.698 120.300 0.019 0.000 2.337 400 Y HA -0.068 4.483 4.550 0.001 0.000 0.293 400 Y C 1.867 177.770 175.900 0.004 0.000 1.123 400 Y CA 0.752 58.857 58.100 0.008 0.000 1.201 400 Y CB -0.541 37.925 38.460 0.010 0.000 1.011 400 Y HN 0.337 nan 8.280 nan 0.000 0.545 401 D N -0.249 120.259 120.400 0.181 0.000 2.178 401 D HA -0.101 4.539 4.640 0.001 0.000 0.202 401 D C 1.967 178.307 176.300 0.066 0.000 0.974 401 D CA 1.115 55.181 54.000 0.111 0.000 0.841 401 D CB -0.016 40.825 40.800 0.068 0.000 0.953 401 D HN 0.163 nan 8.370 nan 0.000 0.478 402 K N -0.019 120.423 120.400 0.070 0.000 2.217 402 K HA 0.118 4.439 4.320 0.001 0.000 0.202 402 K C 2.017 178.634 176.600 0.029 0.000 1.051 402 K CA 0.277 56.590 56.287 0.044 0.000 0.952 402 K CB 0.100 32.630 32.500 0.051 0.000 0.736 402 K HN 0.155 nan 8.250 nan 0.000 0.453 403 I N 0.325 120.918 120.570 0.038 0.000 2.286 403 I HA -0.247 3.924 4.170 0.001 0.000 0.245 403 I C 2.014 178.108 176.117 -0.039 0.000 1.104 403 I CA 1.111 62.406 61.300 -0.007 0.000 1.397 403 I CB -0.130 37.852 38.000 -0.030 0.000 1.072 403 I HN 0.106 nan 8.210 nan 0.000 0.417 404 R N 0.560 121.034 120.500 -0.043 0.000 2.096 404 R HA -0.132 4.208 4.340 0.001 0.000 0.235 404 R C 2.245 178.526 176.300 -0.032 0.000 1.127 404 R CA 1.260 57.322 56.100 -0.064 0.000 0.968 404 R CB -0.183 30.076 30.300 -0.069 0.000 0.861 404 R HN 0.288 nan 8.270 nan 0.000 0.440 405 I N 0.692 121.262 120.570 0.001 0.000 2.202 405 I HA -0.226 3.945 4.170 0.001 0.000 0.242 405 I C 2.299 178.442 176.117 0.044 0.000 1.091 405 I CA 1.146 62.458 61.300 0.020 0.000 1.368 405 I CB -0.754 37.255 38.000 0.016 0.000 1.058 405 I HN 0.101 nan 8.210 nan 0.000 0.410 406 I N 1.022 121.605 120.570 0.023 0.000 2.118 406 I HA -0.299 3.872 4.170 0.001 0.000 0.241 406 I C 2.744 178.908 176.117 0.079 0.000 1.070 406 I CA 1.671 62.995 61.300 0.040 0.000 1.327 406 I CB -1.184 36.813 38.000 -0.005 0.000 1.034 406 I HN 0.217 nan 8.210 nan 0.000 0.405 407 L N -0.125 121.106 121.223 0.014 0.000 2.046 407 L HA -0.216 4.125 4.340 0.001 0.000 0.208 407 L C 2.657 179.523 176.870 -0.006 0.000 1.077 407 L CA 1.145 55.977 54.840 -0.015 0.000 0.747 407 L CB -0.428 41.588 42.059 -0.071 0.000 0.896 407 L HN 0.213 nan 8.230 nan 0.000 0.432 408 L N -1.670 119.551 121.223 -0.003 0.000 2.083 408 L HA -0.272 4.069 4.340 0.001 0.000 0.209 408 L C 2.556 179.478 176.870 0.087 0.000 1.083 408 L CA 1.307 56.146 54.840 -0.002 0.000 0.752 408 L CB -0.589 41.453 42.059 -0.029 0.000 0.899 408 L HN 0.262 nan 8.230 nan 0.000 0.433 409 Y N 0.533 120.840 120.300 0.012 0.000 2.220 409 Y HA -0.210 4.340 4.550 0.001 0.000 0.291 409 Y C 2.461 178.376 175.900 0.025 0.000 1.129 409 Y CA 1.255 59.379 58.100 0.039 0.000 1.161 409 Y CB 0.088 38.551 38.460 0.005 0.000 0.997 409 Y HN -0.057 nan 8.280 nan 0.000 0.522 410 I N 0.724 121.313 120.570 0.032 0.000 2.099 410 I HA -0.349 3.822 4.170 0.001 0.000 0.239 410 I C 2.482 178.535 176.117 -0.107 0.000 1.066 410 I CA 1.802 63.062 61.300 -0.066 0.000 1.324 410 I CB -1.444 36.560 38.000 0.007 0.000 1.037 410 I HN 0.328 nan 8.210 nan 0.000 0.401 411 I N 0.163 120.721 120.570 -0.019 0.000 2.151 411 I HA -0.397 3.774 4.170 0.001 0.000 0.243 411 I C 2.786 179.016 176.117 0.189 0.000 1.080 411 I CA 1.871 63.209 61.300 0.064 0.000 1.339 411 I CB -0.834 37.180 38.000 0.023 0.000 1.039 411 I HN 0.404 nan 8.210 nan 0.000 0.409 412 H N 1.954 121.037 119.070 0.021 0.000 2.319 412 H HA -0.177 4.380 4.556 0.001 0.000 0.299 412 H C 1.925 177.135 175.328 -0.196 0.000 1.092 412 H CA 1.487 57.505 56.048 -0.049 0.000 1.302 412 H CB 0.153 29.829 29.762 -0.142 0.000 1.373 412 H HN 0.152 nan 8.280 nan 0.000 0.497 413 K N 0.160 120.155 120.400 -0.676 0.000 2.362 413 K HA -0.033 4.288 4.320 0.001 0.000 0.200 413 K C 1.112 177.506 176.600 -0.344 0.000 1.046 413 K CA 0.833 56.717 56.287 -0.672 0.000 0.952 413 K CB -0.215 31.869 32.500 -0.693 0.000 0.753 413 K HN 0.667 nan 8.250 nan 0.000 0.466 414 G N 0.738 109.431 108.800 -0.178 0.000 2.182 414 G HA2 -0.153 3.808 3.960 0.001 0.000 0.248 414 G HA3 -0.153 3.808 3.960 0.001 0.000 0.248 414 G C 0.306 175.168 174.900 -0.063 0.000 1.042 414 G CA 0.567 45.632 45.100 -0.059 0.000 0.775 414 G HN 0.650 nan 8.290 nan 0.000 0.501 415 G N -1.408 107.344 108.800 -0.079 0.000 2.640 415 G HA2 0.364 4.325 3.960 0.001 0.000 0.686 415 G HA3 0.364 4.325 3.960 0.001 0.000 0.686 415 G C -0.667 174.194 174.900 -0.065 0.000 1.229 415 G CA -0.136 44.933 45.100 -0.052 0.000 0.796 415 G HN 1.558 nan 8.290 nan 0.000 0.654 416 I N 0.407 120.958 120.570 -0.031 0.000 3.042 416 I HA 0.775 4.945 4.170 0.001 0.000 0.310 416 I C 0.852 176.965 176.117 -0.006 0.000 1.117 416 I CA -0.531 60.762 61.300 -0.011 0.000 1.003 416 I CB 2.170 40.188 38.000 0.030 0.000 1.228 416 I HN 1.192 nan 8.210 nan 0.000 0.443 417 S N 3.641 119.340 115.700 -0.002 0.000 2.614 417 S HA 0.222 4.693 4.470 0.001 0.000 0.265 417 S C 0.781 175.374 174.600 -0.011 0.000 1.303 417 S CA -0.376 57.822 58.200 -0.005 0.000 1.000 417 S CB 1.384 64.581 63.200 -0.004 0.000 0.935 417 S HN 0.709 nan 8.310 nan 0.000 0.551 418 E N 0.741 120.934 120.200 -0.012 0.000 2.110 418 E HA -0.182 4.169 4.350 0.001 0.000 0.193 418 E C 1.828 178.407 176.600 -0.036 0.000 0.988 418 E CA 1.473 57.860 56.400 -0.023 0.000 0.804 418 E CB -0.334 29.360 29.700 -0.010 0.000 0.745 418 E HN 0.893 nan 8.360 nan 0.000 0.458 419 E N 1.468 121.653 120.200 -0.026 0.000 2.035 419 E HA -0.234 4.117 4.350 0.001 0.000 0.204 419 E C 1.658 178.228 176.600 -0.051 0.000 1.025 419 E CA 2.186 58.567 56.400 -0.032 0.000 0.835 419 E CB -0.173 29.516 29.700 -0.018 0.000 0.764 419 E HN 0.156 nan 8.360 nan 0.000 0.457 420 N N 0.012 118.687 118.700 -0.041 0.000 2.188 420 N HA -0.082 4.658 4.740 0.001 0.000 0.184 420 N C 1.782 177.239 175.510 -0.088 0.000 1.018 420 N CA 0.966 53.980 53.050 -0.059 0.000 0.858 420 N CB -0.262 38.218 38.487 -0.012 0.000 0.989 420 N HN 0.164 nan 8.380 nan 0.000 0.426 421 L N 0.421 121.604 121.223 -0.066 0.000 2.043 421 L HA -0.223 4.118 4.340 0.001 0.000 0.212 421 L C 2.072 178.862 176.870 -0.133 0.000 1.075 421 L CA 1.377 56.166 54.840 -0.085 0.000 0.752 421 L CB -0.398 41.614 42.059 -0.078 0.000 0.891 421 L HN 0.231 nan 8.230 nan 0.000 0.432 422 A N -0.059 122.685 122.820 -0.126 0.000 1.865 422 A HA -0.232 4.089 4.320 0.001 0.000 0.217 422 A C 2.192 179.670 177.584 -0.178 0.000 1.191 422 A CA 1.784 53.737 52.037 -0.139 0.000 0.623 422 A CB -0.451 18.489 19.000 -0.100 0.000 0.826 422 A HN 0.320 nan 8.150 nan 0.000 0.444 423 K N -0.063 120.217 120.400 -0.200 0.000 2.103 423 K HA -0.055 4.266 4.320 0.001 0.000 0.207 423 K C 1.909 178.137 176.600 -0.621 0.000 1.048 423 K CA 1.169 57.252 56.287 -0.340 0.000 0.930 423 K CB -0.786 31.549 32.500 -0.275 0.000 0.716 423 K HN 0.582 nan 8.250 nan 0.000 0.444 424 L N 0.463 121.433 121.223 -0.422 0.000 2.056 424 L HA -0.133 4.208 4.340 0.001 0.000 0.207 424 L C 2.334 179.056 176.870 -0.247 0.000 1.078 424 L CA 0.727 55.346 54.840 -0.368 0.000 0.749 424 L CB -0.530 41.393 42.059 -0.226 0.000 0.901 424 L HN -0.133 nan 8.230 nan 0.000 0.433 425 V N -0.466 119.328 119.914 -0.201 0.000 2.594 425 V HA -0.264 3.857 4.120 0.001 0.000 0.253 425 V C 2.377 178.380 176.094 -0.151 0.000 1.069 425 V CA 1.436 63.646 62.300 -0.150 0.000 1.082 425 V CB -0.545 31.179 31.823 -0.164 0.000 0.680 425 V HN 0.497 nan 8.190 nan 0.000 0.469 426 Q N -0.601 119.085 119.800 -0.190 0.000 2.020 426 Q HA -0.158 4.183 4.340 0.001 0.000 0.198 426 Q C 2.211 178.129 176.000 -0.138 0.000 0.974 426 Q CA 1.808 57.508 55.803 -0.172 0.000 0.829 426 Q CB -0.229 28.449 28.738 -0.100 0.000 0.894 426 Q HN 0.767 nan 8.270 nan 0.000 0.433 427 H N -0.421 118.566 119.070 -0.139 0.000 2.421 427 H HA -0.013 4.543 4.556 0.001 0.000 0.298 427 H C 1.764 177.141 175.328 0.081 0.000 1.087 427 H CA 0.461 56.483 56.048 -0.043 0.000 1.330 427 H CB 0.135 29.883 29.762 -0.024 0.000 1.388 427 H HN 0.264 nan 8.280 nan 0.000 0.526 428 A N 0.277 123.183 122.820 0.144 0.000 2.208 428 A HA -0.046 4.275 4.320 0.001 0.000 0.209 428 A C -0.112 177.604 177.584 0.219 0.000 1.161 428 A CA 0.183 52.311 52.037 0.152 0.000 0.782 428 A CB -0.371 18.666 19.000 0.061 0.000 0.816 428 A HN 0.585 nan 8.150 nan 0.000 0.477 429 H N -1.305 117.781 119.070 0.026 0.000 2.677 429 H HA -0.136 4.421 4.556 0.001 0.000 0.321 429 H C -0.447 174.886 175.328 0.009 0.000 1.171 429 H CA 0.827 56.885 56.048 0.016 0.000 1.139 429 H CB -1.991 27.781 29.762 0.016 0.000 1.515 429 H HN 0.545 nan 8.280 nan 0.000 0.423 430 I N 1.289 121.889 120.570 0.051 0.000 2.352 430 I HA 0.200 4.370 4.170 0.001 0.000 0.290 430 I C -1.422 174.706 176.117 0.019 0.000 1.036 430 I CA -1.863 59.460 61.300 0.039 0.000 1.336 430 I CB 0.881 38.886 38.000 0.009 0.000 1.407 430 I HN 0.044 nan 8.210 nan 0.000 0.497 431 P HA -0.069 nan 4.420 nan 0.000 0.270 431 P C 0.385 177.699 177.300 0.024 0.000 1.216 431 P CA 0.045 63.169 63.100 0.040 0.000 0.788 431 P CB 0.688 32.419 31.700 0.053 0.000 0.883 432 A N 1.579 124.423 122.820 0.039 0.000 2.067 432 A HA -0.131 4.190 4.320 0.001 0.000 0.217 432 A C 1.737 179.406 177.584 0.141 0.000 1.156 432 A CA 1.173 53.235 52.037 0.041 0.000 0.683 432 A CB -0.790 18.266 19.000 0.093 0.000 0.808 432 A HN 0.659 nan 8.150 nan 0.000 0.455 433 E N 0.204 120.497 120.200 0.155 0.000 2.047 433 E HA -0.171 4.180 4.350 0.001 0.000 0.191 433 E C 1.584 178.316 176.600 0.220 0.000 0.987 433 E CA 1.213 57.737 56.400 0.208 0.000 0.799 433 E CB -0.153 29.631 29.700 0.138 0.000 0.752 433 E HN 0.522 nan 8.360 nan 0.000 0.449 434 E N 1.138 121.428 120.200 0.150 0.000 2.216 434 E HA -0.105 4.245 4.350 0.001 0.000 0.192 434 E C 1.798 178.435 176.600 0.062 0.000 0.988 434 E CA 0.368 56.860 56.400 0.153 0.000 0.834 434 E CB -0.163 29.656 29.700 0.199 0.000 0.772 434 E HN 0.102 nan 8.360 nan 0.000 0.479 435 K N 0.746 121.114 120.400 -0.053 0.000 2.107 435 K HA -0.194 4.126 4.320 0.001 0.000 0.211 435 K C 1.543 177.947 176.600 -0.328 0.000 1.049 435 K CA 1.307 57.440 56.287 -0.256 0.000 0.927 435 K CB -0.407 31.823 32.500 -0.450 0.000 0.714 435 K HN 0.226 nan 8.250 nan 0.000 0.452 436 W N 0.933 122.248 121.300 0.024 0.000 2.611 436 W HA 0.018 4.678 4.660 0.001 0.000 0.251 436 W C 1.922 178.450 176.519 0.014 0.000 1.265 436 W CA 0.095 57.452 57.345 0.020 0.000 1.295 436 W CB -0.265 29.211 29.460 0.027 0.000 1.129 436 W HN 0.033 nan 8.180 nan 0.000 0.630 437 I N 0.011 120.662 120.570 0.135 0.000 2.286 437 I HA -0.329 3.842 4.170 0.001 0.000 0.248 437 I C 2.146 178.276 176.117 0.021 0.000 1.115 437 I CA 0.912 62.251 61.300 0.065 0.000 1.392 437 I CB -0.532 37.462 38.000 -0.010 0.000 1.065 437 I HN -0.081 nan 8.210 nan 0.000 0.418 438 I N 0.817 121.378 120.570 -0.015 0.000 2.090 438 I HA -0.282 3.889 4.170 0.001 0.000 0.236 438 I C 2.292 178.410 176.117 0.001 0.000 1.064 438 I CA 1.637 62.917 61.300 -0.033 0.000 1.324 438 I CB -1.879 36.081 38.000 -0.065 0.000 1.044 438 I HN 0.334 nan 8.210 nan 0.000 0.399 439 N N 1.014 119.727 118.700 0.022 0.000 2.037 439 N HA -0.152 4.588 4.740 0.001 0.000 0.196 439 N C 0.651 176.230 175.510 0.115 0.000 1.034 439 N CA 1.191 54.293 53.050 0.088 0.000 0.861 439 N CB -0.475 38.134 38.487 0.203 0.000 1.039 439 N HN 0.426 nan 8.380 nan 0.000 0.427 443 N N 0.457 119.179 118.700 0.036 0.000 2.550 443 N HA -0.009 4.732 4.740 0.001 0.000 0.186 443 N C 0.770 176.345 175.510 0.108 0.000 1.110 443 N CA 0.858 53.967 53.050 0.098 0.000 0.912 443 N CB 0.233 38.795 38.487 0.126 0.000 0.968 443 N HN 0.257 nan 8.380 nan 0.000 0.448 444 L N -1.387 119.761 121.223 -0.125 0.000 2.640 444 L HA 0.347 4.688 4.340 0.001 0.000 0.230 444 L C 1.475 178.309 176.870 -0.060 0.000 1.123 444 L CA 0.246 54.886 54.840 -0.333 0.000 0.900 444 L CB 0.023 41.649 42.059 -0.721 0.000 1.146 444 L HN 0.192 nan 8.230 nan 0.000 0.484 445 G N -1.051 107.807 108.800 0.096 0.000 2.184 445 G HA2 -0.208 3.753 3.960 0.001 0.000 0.206 445 G HA3 -0.208 3.753 3.960 0.001 0.000 0.206 445 G C 0.140 175.094 174.900 0.089 0.000 0.995 445 G CA -0.113 45.086 45.100 0.166 0.000 0.651 445 G HN 0.039 nan 8.290 nan 0.000 0.511 446 V N 2.036 121.962 119.914 0.020 0.000 2.530 446 V HA 0.437 4.558 4.120 0.001 0.000 0.282 446 V C -1.739 174.372 176.094 0.028 0.000 1.048 446 V CA -1.339 60.972 62.300 0.018 0.000 0.997 446 V CB 1.406 33.189 31.823 -0.067 0.000 0.987 446 V HN 0.124 nan 8.190 nan 0.000 0.477 447 P HA 0.291 nan 4.420 nan 0.000 0.275 447 P C 0.516 177.822 177.300 0.010 0.000 1.276 447 P CA 0.035 63.151 63.100 0.027 0.000 0.782 447 P CB 0.368 32.085 31.700 0.028 0.000 0.851 448 I N -0.004 120.569 120.570 0.006 0.000 4.338 448 I HA 0.296 4.466 4.170 0.001 0.000 0.315 448 I C 0.100 176.215 176.117 -0.002 0.000 1.262 448 I CA 0.277 61.575 61.300 -0.004 0.000 1.298 448 I CB 0.337 38.335 38.000 -0.004 0.000 1.257 448 I HN -0.017 nan 8.210 nan 0.000 0.444 449 I N 3.443 124.017 120.570 0.007 0.000 2.310 449 I HA 0.267 4.437 4.170 0.001 0.000 0.287 449 I C 1.003 177.122 176.117 0.004 0.000 1.073 449 I CA -0.152 61.153 61.300 0.008 0.000 1.216 449 I CB 0.523 38.536 38.000 0.021 0.000 1.415 449 I HN 0.345 nan 8.210 nan 0.000 0.480 450 Q N 5.326 125.123 119.800 -0.006 0.000 1.476 450 Q HA -0.304 4.037 4.340 0.001 0.000 0.762 450 Q C 1.263 177.261 176.000 -0.004 0.000 0.843 450 Q CA 2.616 58.413 55.803 -0.011 0.000 0.881 450 Q CB 0.001 28.732 28.738 -0.013 0.000 1.078 450 Q HN 0.636 nan 8.270 nan 0.000 0.530 451 D N -0.980 119.418 120.400 -0.003 0.000 2.204 451 D HA -0.236 4.405 4.640 0.001 0.000 0.189 451 D C 1.311 177.615 176.300 0.006 0.000 1.006 451 D CA 2.177 56.177 54.000 0.001 0.000 0.855 451 D CB -0.700 40.101 40.800 0.002 0.000 0.946 451 D HN 0.796 nan 8.370 nan 0.000 0.448 452 G N 0.022 108.828 108.800 0.011 0.000 2.200 452 G HA2 -0.329 3.632 3.960 0.001 0.000 0.268 452 G HA3 -0.329 3.632 3.960 0.001 0.000 0.268 452 G C 1.189 176.098 174.900 0.015 0.000 0.986 452 G CA 1.072 46.181 45.100 0.016 0.000 0.677 452 G HN 0.838 nan 8.290 nan 0.000 0.532 453 G N -0.502 108.305 108.800 0.011 0.000 2.243 453 G HA2 -0.337 3.623 3.960 0.001 0.000 0.276 453 G HA3 -0.337 3.623 3.960 0.001 0.000 0.276 453 G C 0.932 175.838 174.900 0.009 0.000 0.997 453 G CA 2.237 47.343 45.100 0.009 0.000 0.693 453 G HN 1.539 nan 8.290 nan 0.000 0.529 454 R N -1.625 118.881 120.500 0.011 0.000 2.641 454 R HA 0.802 5.142 4.340 0.001 0.000 0.197 454 R C 0.569 176.875 176.300 0.010 0.000 1.408 454 R CA -0.972 55.135 56.100 0.011 0.000 1.040 454 R CB 0.464 30.773 30.300 0.015 0.000 2.279 454 R HN 0.091 nan 8.270 nan 0.000 0.520 455 R N 0.444 120.952 120.500 0.013 0.000 2.797 455 R HA 0.359 4.700 4.340 0.001 0.000 0.251 455 R C -0.473 175.836 176.300 0.014 0.000 1.107 455 R CA -1.072 55.035 56.100 0.012 0.000 1.084 455 R CB 0.338 30.646 30.300 0.013 0.000 1.205 455 R HN 0.368 nan 8.270 nan 0.000 0.515 456 K N 1.679 122.086 120.400 0.013 0.000 2.383 456 K HA 0.153 4.474 4.320 0.001 0.000 0.286 456 K C -0.127 176.483 176.600 0.018 0.000 1.051 456 K CA -0.186 56.107 56.287 0.012 0.000 0.974 456 K CB 0.144 32.649 32.500 0.008 0.000 0.968 456 K HN 0.282 nan 8.250 nan 0.000 0.475 457 I N 6.992 127.574 120.570 0.020 0.000 2.312 457 I HA 0.117 4.287 4.170 0.001 0.000 0.291 457 I C -1.685 174.435 176.117 0.005 0.000 1.031 457 I CA -2.142 59.176 61.300 0.029 0.000 1.293 457 I CB 0.487 38.516 38.000 0.047 0.000 1.403 457 I HN 0.358 nan 8.210 nan 0.000 0.484 458 P HA 0.047 nan 4.420 nan 0.000 0.269 458 P C -1.010 176.187 177.300 -0.172 0.000 1.209 458 P CA -0.292 62.764 63.100 -0.073 0.000 0.776 458 P CB 0.566 32.230 31.700 -0.060 0.000 0.876 459 Q N 2.476 122.075 119.800 -0.336 0.000 2.849 459 Q HA 0.212 4.553 4.340 0.001 0.000 0.289 459 Q C -1.939 173.442 176.000 -1.033 0.000 1.012 459 Q CA -1.533 53.757 55.803 -0.855 0.000 0.899 459 Q CB 1.122 29.455 28.738 -0.675 0.000 1.235 459 Q HN 0.347 nan 8.270 nan 0.000 0.457 460 P HA -0.209 nan 4.420 nan 0.000 0.218 460 P C 0.521 177.184 177.300 -1.061 0.000 1.146 460 P CA 1.288 63.973 63.100 -0.693 0.000 0.813 460 P CB -0.017 31.463 31.700 -0.366 0.000 0.778 461 Y N -3.665 116.176 120.300 -0.764 0.000 2.561 461 Y HA 0.098 4.648 4.550 0.001 0.000 0.291 461 Y C 1.072 176.796 175.900 -0.293 0.000 1.141 461 Y CA -0.327 57.347 58.100 -0.709 0.000 1.303 461 Y CB -1.888 36.347 38.460 -0.375 0.000 1.015 461 Y HN 0.002 nan 8.280 nan 0.000 0.547 462 H N 1.892 120.710 119.070 -0.419 0.000 2.732 462 H HA 0.040 4.596 4.556 0.001 0.000 0.351 462 H C 1.610 176.786 175.328 -0.254 0.000 1.090 462 H CA 0.573 56.501 56.048 -0.199 0.000 1.431 462 H CB 1.605 31.119 29.762 -0.414 0.000 1.447 462 H HN 0.410 nan 8.280 nan 0.000 0.582 463 T N 0.067 114.698 114.554 0.128 0.000 2.720 463 T HA -0.230 4.121 4.350 0.001 0.000 0.268 463 T C 1.606 176.300 174.700 -0.010 0.000 1.037 463 T CA 1.683 63.805 62.100 0.038 0.000 1.144 463 T CB -0.424 68.519 68.868 0.125 0.000 0.864 463 T HN 0.832 nan 8.240 nan 0.000 0.444 464 H N 0.986 120.081 119.070 0.042 0.000 2.568 464 H HA 0.139 4.695 4.556 0.001 0.000 0.281 464 H C 0.858 176.182 175.328 -0.007 0.000 1.028 464 H CA 1.100 57.153 56.048 0.009 0.000 1.199 464 H CB -0.771 28.986 29.762 -0.009 0.000 1.352 464 H HN 0.577 nan 8.280 nan 0.000 0.605 465 N N -0.253 118.241 118.700 -0.344 0.000 2.171 465 N HA 0.154 4.894 4.740 0.001 0.000 0.212 465 N C -0.062 175.353 175.510 -0.158 0.000 1.184 465 N CA -0.308 52.590 53.050 -0.253 0.000 0.888 465 N CB 0.869 39.124 38.487 -0.385 0.000 1.038 465 N HN 0.169 nan 8.380 nan 0.000 0.517 466 R N 1.074 121.504 120.500 -0.117 0.000 2.875 466 R HA 0.308 4.649 4.340 0.001 0.000 0.251 466 R C -0.202 176.090 176.300 -0.013 0.000 1.123 466 R CA -0.867 55.205 56.100 -0.048 0.000 1.064 466 R CB 1.089 31.361 30.300 -0.047 0.000 1.205 466 R HN 0.053 nan 8.270 nan 0.000 0.503 467 K N 0.910 121.313 120.400 0.006 0.000 2.380 467 K HA -0.011 4.310 4.320 0.001 0.000 0.267 467 K C -0.294 176.303 176.600 -0.004 0.000 0.990 467 K CA -0.131 56.158 56.287 0.002 0.000 0.946 467 K CB 0.713 33.212 32.500 -0.001 0.000 0.937 467 K HN 0.567 nan 8.250 nan 0.000 0.491 468 E N 2.111 122.310 120.200 -0.001 0.000 2.398 468 E HA 0.010 4.360 4.350 0.001 0.000 0.263 468 E C -0.832 175.763 176.600 -0.008 0.000 1.046 468 E CA -0.225 56.176 56.400 0.001 0.000 0.908 468 E CB 0.687 30.389 29.700 0.003 0.000 0.963 468 E HN 0.531 nan 8.360 nan 0.000 0.431 469 R N 2.189 122.687 120.500 -0.004 0.000 2.771 469 R HA 0.137 4.478 4.340 0.001 0.000 0.274 469 R C -0.850 175.437 176.300 -0.020 0.000 0.987 469 R CA -1.015 55.079 56.100 -0.010 0.000 0.908 469 R CB 1.609 31.907 30.300 -0.002 0.000 1.213 469 R HN 0.643 nan 8.270 nan 0.000 0.468 470 Q N 1.087 120.856 119.800 -0.051 0.000 2.286 470 Q HA 0.085 4.426 4.340 0.001 0.000 0.290 470 Q C -0.340 175.532 176.000 -0.213 0.000 1.049 470 Q CA 0.373 56.112 55.803 -0.105 0.000 0.923 470 Q CB 1.005 29.674 28.738 -0.115 0.000 1.183 470 Q HN 0.744 nan 8.270 nan 0.000 0.383 471 A N 4.058 126.761 122.820 -0.196 0.000 2.734 471 A HA 0.106 4.427 4.320 0.001 0.000 0.279 471 A C -0.589 176.758 177.584 -0.395 0.000 1.386 471 A CA -0.446 51.441 52.037 -0.249 0.000 0.987 471 A CB 0.024 19.002 19.000 -0.037 0.000 1.041 471 A HN 0.708 nan 8.150 nan 0.000 0.569 472 D N 1.256 121.340 120.400 -0.527 0.000 2.438 472 D HA 0.200 4.840 4.640 0.001 0.000 0.257 472 D C -0.899 175.166 176.300 -0.391 0.000 1.148 472 D CA -0.168 53.631 54.000 -0.336 0.000 0.902 472 D CB 0.508 41.198 40.800 -0.183 0.000 1.062 472 D HN 0.414 nan 8.370 nan 0.000 0.518 473 H N 0.725 119.788 119.070 -0.012 0.000 2.467 473 H HA 0.174 4.731 4.556 0.001 0.000 0.331 473 H C 1.264 176.544 175.328 -0.080 0.000 1.120 473 H CA -0.282 55.761 56.048 -0.009 0.000 1.270 473 H CB 1.666 31.455 29.762 0.046 0.000 1.466 473 H HN 0.108 nan 8.280 nan 0.000 0.504 474 T N 2.178 116.707 114.554 -0.041 0.000 2.788 474 T HA -0.111 4.240 4.350 0.001 0.000 0.268 474 T C 0.048 174.374 174.700 -0.624 0.000 1.044 474 T CA 1.493 63.364 62.100 -0.381 0.000 1.139 474 T CB -0.102 68.445 68.868 -0.534 0.000 0.867 474 T HN 0.414 nan 8.240 nan 0.000 0.454 475 Y N 0.917 121.248 120.300 0.052 0.000 2.391 475 Y HA 0.438 4.988 4.550 0.001 0.000 0.341 475 Y C 0.503 176.461 175.900 0.097 0.000 0.965 475 Y CA -1.409 56.714 58.100 0.038 0.000 1.067 475 Y CB 1.120 39.582 38.460 0.004 0.000 1.199 475 Y HN -0.047 nan 8.280 nan 0.000 0.450 479 R N 0.168 120.628 120.500 -0.068 0.000 2.237 479 R HA 0.146 4.486 4.340 0.001 0.000 0.195 479 R C 0.814 176.985 176.300 -0.215 0.000 0.956 479 R CA -0.049 55.727 56.100 -0.539 0.000 1.029 479 R CB 0.346 30.216 30.300 -0.717 0.000 0.972 479 R HN 0.617 nan 8.270 nan 0.000 0.493 480 W N 2.926 124.153 121.300 -0.121 0.000 2.181 480 W HA 0.073 4.733 4.660 0.001 0.000 0.335 480 W C -1.161 175.363 176.519 0.009 0.000 1.310 480 W CA 0.854 58.179 57.345 -0.033 0.000 1.226 480 W CB 0.821 30.278 29.460 -0.005 0.000 1.155 480 W HN -0.151 nan 8.180 nan 0.000 0.565 481 T N 7.637 121.605 114.554 -0.977 0.000 2.841 481 T HA 0.271 4.622 4.350 0.001 0.000 0.285 481 T C -2.464 171.650 174.700 -0.976 0.000 0.991 481 T CA -1.201 60.505 62.100 -0.657 0.000 0.966 481 T CB 1.857 70.500 68.868 -0.374 0.000 0.962 481 T HN 0.152 nan 8.240 nan 0.000 0.438 482 P HA 0.054 nan 4.420 nan 0.000 0.266 482 P C -0.492 176.805 177.300 -0.005 0.000 1.195 482 P CA -0.320 62.816 63.100 0.060 0.000 0.768 482 P CB 0.277 32.064 31.700 0.145 0.000 0.838 486 D N 1.677 121.978 120.400 -0.165 0.000 2.123 486 D HA -0.042 4.599 4.640 0.001 0.000 0.196 486 D C 0.985 177.124 176.300 -0.267 0.000 0.992 486 D CA 1.212 55.116 54.000 -0.160 0.000 0.833 486 D CB 0.017 40.789 40.800 -0.048 0.000 0.954 486 D HN 0.285 nan 8.370 nan 0.000 0.455 490 A N 1.690 124.370 122.820 -0.235 0.000 1.898 490 A HA 0.068 4.389 4.320 0.001 0.000 0.216 490 A C 2.311 179.740 177.584 -0.259 0.000 1.181 490 A CA 2.043 53.955 52.037 -0.209 0.000 0.620 490 A CB -0.573 18.313 19.000 -0.189 0.000 0.819 490 A HN 0.265 nan 8.150 nan 0.000 0.442 491 A N -0.718 121.898 122.820 -0.340 0.000 1.933 491 A HA 0.000 4.321 4.320 0.001 0.000 0.218 491 A C 2.132 179.348 177.584 -0.614 0.000 1.175 491 A CA 1.647 53.449 52.037 -0.391 0.000 0.628 491 A CB -0.882 17.877 19.000 -0.402 0.000 0.814 491 A HN 0.402 nan 8.150 nan 0.000 0.444 492 V N 0.271 119.732 119.914 -0.756 0.000 2.867 492 V HA -0.165 3.956 4.120 0.001 0.000 0.260 492 V C 1.438 177.119 176.094 -0.688 0.000 1.099 492 V CA 1.938 63.512 62.300 -1.210 0.000 1.122 492 V CB -0.668 30.651 31.823 -0.840 0.000 0.708 492 V HN 0.652 nan 8.190 nan 0.000 0.490 493 E N -0.866 119.126 120.200 -0.347 0.000 2.651 493 E HA 0.121 4.472 4.350 0.001 0.000 0.208 493 E C -0.401 176.162 176.600 -0.062 0.000 0.997 493 E CA -0.126 56.194 56.400 -0.133 0.000 1.020 493 E CB 0.302 29.942 29.700 -0.100 0.000 1.052 493 E HN 0.477 nan 8.360 nan 0.000 0.465 494 D N 1.524 121.881 120.400 -0.071 0.000 2.708 494 D HA -0.198 4.443 4.640 0.001 0.000 0.236 494 D C 0.207 176.507 176.300 -0.000 0.000 1.146 494 D CA 0.953 54.961 54.000 0.012 0.000 0.662 494 D CB -0.625 40.224 40.800 0.081 0.000 1.059 494 D HN 0.324 nan 8.370 nan 0.000 0.428 495 K N -0.095 120.276 120.400 -0.049 0.000 2.592 495 K HA 0.127 4.448 4.320 0.001 0.000 0.203 495 K C 0.057 176.630 176.600 -0.044 0.000 1.070 495 K CA -0.601 55.666 56.287 -0.032 0.000 1.062 495 K CB 0.772 33.247 32.500 -0.042 0.000 0.814 495 K HN -0.033 nan 8.250 nan 0.000 0.502 496 L N 2.583 123.766 121.223 -0.067 0.000 2.283 496 L HA 0.178 4.519 4.340 0.001 0.000 0.287 496 L C -0.180 176.709 176.870 0.031 0.000 1.073 496 L CA -0.114 54.670 54.840 -0.093 0.000 0.822 496 L CB 0.381 42.309 42.059 -0.218 0.000 1.186 496 L HN 0.061 nan 8.230 nan 0.000 0.436 497 D N 2.763 123.235 120.400 0.120 0.000 2.581 497 D HA -0.124 4.517 4.640 0.001 0.000 0.238 497 D C 1.138 177.533 176.300 0.159 0.000 1.145 497 D CA 0.853 54.953 54.000 0.167 0.000 0.866 497 D CB 1.128 42.085 40.800 0.262 0.000 1.151 497 D HN 0.773 nan 8.370 nan 0.000 0.500 498 T N 1.523 116.122 114.554 0.075 0.000 3.085 498 T HA -0.085 4.266 4.350 0.001 0.000 0.263 498 T C 1.769 176.432 174.700 -0.061 0.000 1.127 498 T CA 0.417 62.533 62.100 0.026 0.000 1.103 498 T CB 0.083 69.012 68.868 0.102 0.000 0.921 498 T HN 0.393 nan 8.240 nan 0.000 0.510 499 R N -0.173 120.265 120.500 -0.104 0.000 2.235 499 R HA 0.001 4.341 4.340 0.001 0.000 0.213 499 R C 1.795 177.817 176.300 -0.463 0.000 1.059 499 R CA 0.917 56.854 56.100 -0.272 0.000 0.997 499 R CB -0.024 30.078 30.300 -0.330 0.000 0.884 499 R HN 0.529 nan 8.270 nan 0.000 0.462 500 H N -2.424 116.557 119.070 -0.147 0.000 3.017 500 H HA 0.100 4.657 4.556 0.001 0.000 0.255 500 H C -0.288 174.543 175.328 -0.828 0.000 0.990 500 H CA 0.378 56.184 56.048 -0.403 0.000 1.205 500 H CB 0.760 30.311 29.762 -0.352 0.000 1.460 500 H HN 0.094 nan 8.280 nan 0.000 0.478 501 Y N 2.132 122.378 120.300 -0.090 0.000 2.470 501 Y HA 0.266 4.817 4.550 0.001 0.000 0.352 501 Y C -2.390 173.267 175.900 -0.406 0.000 0.967 501 Y CA -2.403 55.550 58.100 -0.244 0.000 1.121 501 Y CB 1.007 39.350 38.460 -0.194 0.000 1.149 501 Y HN 0.045 nan 8.280 nan 0.000 0.641 502 P HA 0.059 nan 4.420 nan 0.000 0.272 502 P C -0.522 176.536 177.300 -0.402 0.000 1.240 502 P CA -0.004 62.884 63.100 -0.354 0.000 0.791 502 P CB 1.125 32.647 31.700 -0.296 0.000 0.978 503 F N 0.772 120.684 119.950 -0.063 0.000 2.396 503 F HA 0.068 4.595 4.527 0.001 0.000 0.343 503 F C 1.690 177.548 175.800 0.098 0.000 1.104 503 F CA -0.682 57.332 58.000 0.023 0.000 1.161 503 F CB 0.575 39.588 39.000 0.021 0.000 1.146 503 F HN 0.084 nan 8.300 nan 0.000 0.522 504 L N 0.286 121.719 121.223 0.350 0.000 2.610 504 L HA 0.125 4.466 4.340 0.001 0.000 0.232 504 L C 0.573 177.563 176.870 0.200 0.000 1.149 504 L CA 0.949 55.986 54.840 0.328 0.000 0.872 504 L CB -1.430 40.794 42.059 0.274 0.000 0.992 504 L HN 0.502 nan 8.230 nan 0.000 0.447 505 N N 0.856 119.672 118.700 0.193 0.000 2.200 505 N HA 0.285 5.025 4.740 0.001 0.000 0.224 505 N C 0.778 176.337 175.510 0.083 0.000 1.179 505 N CA 0.769 53.885 53.050 0.110 0.000 0.877 505 N CB 1.110 39.640 38.487 0.072 0.000 1.072 505 N HN 0.486 nan 8.380 nan 0.000 0.519 506 G N 0.127 109.011 108.800 0.139 0.000 2.901 506 G HA2 0.175 4.136 3.960 0.001 0.000 0.654 506 G HA3 0.175 4.136 3.960 0.001 0.000 0.654 506 G C 0.383 175.241 174.900 -0.070 0.000 1.550 506 G CA -0.016 45.134 45.100 0.083 0.000 0.978 506 G HN 0.758 nan 8.290 nan 0.000 0.566 507 G N -0.691 108.026 108.800 -0.138 0.000 2.475 507 G HA2 0.502 4.463 3.960 0.001 0.000 0.223 507 G HA3 0.502 4.463 3.960 0.001 0.000 0.223 507 G C 1.409 175.848 174.900 -0.767 0.000 1.201 507 G CA 1.361 46.263 45.100 -0.329 0.000 0.962 507 G HN 3.271 nan 8.290 nan 0.000 0.586 535 S N -2.469 113.212 115.700 -0.032 0.000 2.688 535 S HA 0.604 5.074 4.470 0.001 0.000 0.269 535 S C 0.067 174.617 174.600 -0.082 0.000 1.060 535 S CA -0.583 57.581 58.200 -0.059 0.000 0.844 535 S CB 0.963 64.121 63.200 -0.070 0.000 1.095 535 S HN 0.109 nan 8.310 nan 0.000 0.466 536 G N 0.033 108.750 108.800 -0.139 0.000 3.345 536 G HA2 0.752 4.713 3.960 0.001 0.000 0.202 536 G HA3 0.752 4.713 3.960 0.001 0.000 0.202 536 G C -2.975 171.694 174.900 -0.385 0.000 1.740 536 G CA -1.221 43.758 45.100 -0.201 0.000 0.806 536 G HN 0.671 nan 8.290 nan 0.000 0.718 537 P HA 0.319 nan 4.420 nan 0.000 0.273 537 P C -0.608 176.453 177.300 -0.399 0.000 1.250 537 P CA -0.071 62.625 63.100 -0.674 0.000 0.793 537 P CB 0.574 31.569 31.700 -1.175 0.000 1.011 538 R N 0.447 120.878 120.500 -0.115 0.000 2.589 538 R HA 0.585 4.926 4.340 0.001 0.000 0.293 538 R C -0.938 175.545 176.300 0.304 0.000 0.963 538 R CA -0.996 55.172 56.100 0.115 0.000 0.905 538 R CB 1.039 31.369 30.300 0.050 0.000 1.144 538 R HN 0.328 nan 8.270 nan 0.000 0.459 539 L N 4.446 125.875 121.223 0.343 0.000 2.295 539 L HA 0.390 4.731 4.340 0.001 0.000 0.281 539 L C -1.069 175.863 176.870 0.103 0.000 1.018 539 L CA -0.341 54.639 54.840 0.232 0.000 0.841 539 L CB 0.953 43.060 42.059 0.081 0.000 1.218 539 L HN 0.486 nan 8.230 nan 0.000 0.424 540 I N 6.804 127.431 120.570 0.095 0.000 2.297 540 I HA 0.313 4.484 4.170 0.001 0.000 0.291 540 I C 0.003 176.170 176.117 0.084 0.000 1.033 540 I CA -0.188 61.175 61.300 0.105 0.000 1.253 540 I CB 0.899 38.965 38.000 0.111 0.000 1.396 540 I HN 0.544 nan 8.210 nan 0.000 0.476 541 I N 6.825 127.422 120.570 0.046 0.000 2.404 541 I HA 0.351 4.522 4.170 0.001 0.000 0.293 541 I C -0.707 175.423 176.117 0.022 0.000 0.992 541 I CA -0.639 60.652 61.300 -0.015 0.000 1.149 541 I CB 1.844 39.760 38.000 -0.141 0.000 1.315 541 I HN 0.353 nan 8.210 nan 0.000 0.446 542 F N 7.191 127.092 119.950 -0.082 0.000 2.518 542 F HA 0.639 5.167 4.527 0.001 0.000 0.323 542 F C -1.102 174.623 175.800 -0.124 0.000 1.129 542 F CA -0.641 57.307 58.000 -0.087 0.000 0.920 542 F CB 1.428 40.478 39.000 0.084 0.000 1.160 542 F HN 0.032 nan 8.300 nan 0.000 0.440 543 V N 7.263 126.621 119.914 -0.926 0.000 2.378 543 V HA 0.313 4.434 4.120 0.001 0.000 0.288 543 V C -0.562 174.968 176.094 -0.939 0.000 1.016 543 V CA -0.986 60.904 62.300 -0.683 0.000 0.840 543 V CB 1.404 32.974 31.823 -0.421 0.000 0.994 543 V HN 0.664 nan 8.190 nan 0.000 0.431 544 V N 5.596 125.116 119.914 -0.657 0.000 2.405 544 V HA 0.749 4.870 4.120 0.001 0.000 0.264 544 V C 0.955 176.805 176.094 -0.407 0.000 1.048 544 V CA 1.293 63.226 62.300 -0.611 0.000 0.966 544 V CB 0.219 31.472 31.823 -0.951 0.000 1.015 544 V HN 1.327 nan 8.190 nan 0.000 0.477 545 G N 3.402 112.109 108.800 -0.156 0.000 2.273 545 G HA2 0.374 4.335 3.960 0.001 0.000 0.162 545 G HA3 0.374 4.335 3.960 0.001 0.000 0.162 545 G C 1.077 176.001 174.900 0.040 0.000 1.006 545 G CA 0.093 45.316 45.100 0.206 0.000 0.704 545 G HN 2.564 nan 8.290 nan 0.000 0.487 546 G N -0.347 108.250 108.800 -0.337 0.000 2.650 546 G HA2 0.396 4.357 3.960 0.001 0.000 0.686 546 G HA3 0.396 4.357 3.960 0.001 0.000 0.686 546 G C -0.365 174.302 174.900 -0.389 0.000 1.205 546 G CA -0.103 44.616 45.100 -0.634 0.000 0.781 546 G HN 1.757 nan 8.290 nan 0.000 0.648 547 I N -1.106 119.225 120.570 -0.398 0.000 2.569 547 I HA 0.839 5.009 4.170 0.001 0.000 0.296 547 I C 0.496 176.437 176.117 -0.294 0.000 1.028 547 I CA -0.618 60.511 61.300 -0.285 0.000 1.082 547 I CB 2.180 40.005 38.000 -0.292 0.000 1.264 547 I HN 0.999 nan 8.210 nan 0.000 0.429 548 S N 3.489 119.071 115.700 -0.196 0.000 2.632 548 S HA 0.333 4.804 4.470 0.001 0.000 0.267 548 S C 0.582 175.077 174.600 -0.175 0.000 1.276 548 S CA -0.327 57.774 58.200 -0.165 0.000 0.998 548 S CB 0.836 64.001 63.200 -0.059 0.000 0.953 548 S HN 0.642 nan 8.310 nan 0.000 0.547 549 Y N 0.995 121.284 120.300 -0.019 0.000 2.352 549 Y HA -0.068 4.483 4.550 0.001 0.000 0.292 549 Y C 3.014 178.927 175.900 0.022 0.000 1.136 549 Y CA 1.427 59.529 58.100 0.003 0.000 1.227 549 Y CB -0.536 37.921 38.460 -0.005 0.000 0.991 549 Y HN 0.860 nan 8.280 nan 0.000 0.545 550 S N -0.898 114.887 115.700 0.142 0.000 2.428 550 S HA -0.070 4.401 4.470 0.001 0.000 0.230 550 S C 0.747 175.383 174.600 0.060 0.000 1.014 550 S CA 0.235 58.498 58.200 0.106 0.000 0.957 550 S CB -0.283 62.992 63.200 0.125 0.000 0.784 550 S HN 0.407 nan 8.310 nan 0.000 0.499 554 S N 1.287 116.947 115.700 -0.066 0.000 2.400 554 S HA -0.103 4.368 4.470 0.001 0.000 0.232 554 S C 1.783 176.327 174.600 -0.093 0.000 1.025 554 S CA 1.444 59.604 58.200 -0.067 0.000 0.993 554 S CB -0.083 63.085 63.200 -0.053 0.000 0.808 554 S HN 0.530 nan 8.310 nan 0.000 0.478 555 A N 0.642 123.380 122.820 -0.138 0.000 1.902 555 A HA -0.088 4.233 4.320 0.001 0.000 0.217 555 A C 1.872 179.305 177.584 -0.253 0.000 1.181 555 A CA 1.369 53.265 52.037 -0.236 0.000 0.623 555 A CB -0.882 17.904 19.000 -0.356 0.000 0.818 555 A HN 0.538 nan 8.150 nan 0.000 0.443 556 Y N 0.209 120.454 120.300 -0.091 0.000 2.163 556 Y HA -0.149 4.402 4.550 0.001 0.000 0.288 556 Y C 2.488 178.353 175.900 -0.060 0.000 1.136 556 Y CA 1.619 59.683 58.100 -0.060 0.000 1.147 556 Y CB -0.531 37.885 38.460 -0.074 0.000 0.987 556 Y HN 0.410 nan 8.280 nan 0.000 0.509 557 E N -0.239 119.993 120.200 0.052 0.000 2.049 557 E HA -0.204 4.147 4.350 0.001 0.000 0.198 557 E C 2.230 178.830 176.600 0.000 0.000 1.007 557 E CA 1.929 58.338 56.400 0.016 0.000 0.809 557 E CB -0.421 29.268 29.700 -0.018 0.000 0.749 557 E HN 0.220 nan 8.360 nan 0.000 0.450 558 V N 1.056 120.949 119.914 -0.034 0.000 2.427 558 V HA -0.221 3.900 4.120 0.001 0.000 0.248 558 V C 2.261 178.342 176.094 -0.022 0.000 1.051 558 V CA 1.983 64.253 62.300 -0.050 0.000 1.048 558 V CB -0.607 31.158 31.823 -0.098 0.000 0.666 558 V HN 0.332 nan 8.190 nan 0.000 0.456 559 T N 0.873 115.422 114.554 -0.009 0.000 2.701 559 T HA -0.212 4.139 4.350 0.001 0.000 0.263 559 T C 1.500 176.234 174.700 0.057 0.000 1.040 559 T CA 1.678 63.795 62.100 0.029 0.000 1.147 559 T CB -0.295 68.580 68.868 0.011 0.000 0.865 559 T HN 0.774 nan 8.240 nan 0.000 0.426 560 Q N 0.874 120.714 119.800 0.067 0.000 2.265 560 Q HA 0.232 4.573 4.340 0.001 0.000 0.217 560 Q C 0.552 176.582 176.000 0.051 0.000 0.916 560 Q CA 0.297 56.142 55.803 0.071 0.000 0.948 560 Q CB -0.012 28.781 28.738 0.092 0.000 1.020 560 Q HN 0.325 nan 8.270 nan 0.000 0.462 561 T N -0.441 114.136 114.554 0.039 0.000 3.550 561 T HA 0.209 4.559 4.350 0.001 0.000 0.186 561 T C 0.287 174.999 174.700 0.020 0.000 0.864 561 T CA 0.191 62.307 62.100 0.026 0.000 0.981 561 T CB -0.453 68.424 68.868 0.016 0.000 1.099 561 T HN 0.262 nan 8.240 nan 0.000 0.308 562 A N 3.721 126.542 122.820 0.001 0.000 3.052 562 A HA 0.406 4.727 4.320 0.001 0.000 0.266 562 A C 0.476 178.068 177.584 0.012 0.000 1.855 562 A CA -0.075 51.954 52.037 -0.013 0.000 1.473 562 A CB -1.119 17.848 19.000 -0.056 0.000 1.038 562 A HN 0.562 nan 8.150 nan 0.000 0.619 563 K N -0.649 119.785 120.400 0.055 0.000 2.245 563 K HA 0.656 4.977 4.320 0.001 0.000 0.234 563 K C -0.178 176.517 176.600 0.159 0.000 1.021 563 K CA -0.769 55.590 56.287 0.121 0.000 0.898 563 K CB 0.852 33.417 32.500 0.109 0.000 1.163 563 K HN 0.127 nan 8.250 nan 0.000 0.459 564 N N -0.567 118.280 118.700 0.246 0.000 2.278 564 N HA 0.026 4.767 4.740 0.001 0.000 0.239 564 N C -1.073 174.512 175.510 0.124 0.000 1.411 564 N CA 0.070 53.252 53.050 0.220 0.000 0.908 564 N CB -0.114 38.591 38.487 0.364 0.000 1.307 564 N HN 0.895 nan 8.380 nan 0.000 0.522 565 N N -1.138 117.625 118.700 0.106 0.000 3.003 565 N HA -0.152 4.589 4.740 0.001 0.000 0.237 565 N C -1.372 174.146 175.510 0.014 0.000 0.969 565 N CA 0.722 53.786 53.050 0.023 0.000 0.941 565 N CB -1.350 37.104 38.487 -0.054 0.000 1.098 565 N HN 0.422 nan 8.380 nan 0.000 0.563 566 W N 1.536 122.833 121.300 -0.005 0.000 2.170 566 W HA 0.368 5.028 4.660 0.001 0.000 0.336 566 W C 0.921 177.430 176.519 -0.015 0.000 1.283 566 W CA 0.182 57.520 57.345 -0.011 0.000 1.224 566 W CB 0.536 29.985 29.460 -0.019 0.000 1.132 566 W HN 0.078 nan 8.180 nan 0.000 0.571 567 E N 1.805 122.166 120.200 0.270 0.000 2.218 567 E HA 0.427 4.778 4.350 0.001 0.000 0.263 567 E C -1.670 175.013 176.600 0.138 0.000 0.879 567 E CA -0.601 55.885 56.400 0.143 0.000 0.762 567 E CB 1.295 31.042 29.700 0.077 0.000 1.166 567 E HN 0.187 nan 8.360 nan 0.000 0.415 568 V N 5.916 125.860 119.914 0.050 0.000 2.364 568 V HA 0.343 4.464 4.120 0.001 0.000 0.272 568 V C -0.310 175.752 176.094 -0.052 0.000 1.036 568 V CA -0.562 61.735 62.300 -0.006 0.000 0.880 568 V CB 0.773 32.549 31.823 -0.079 0.000 0.991 568 V HN 0.599 nan 8.190 nan 0.000 0.460 569 I N 6.183 126.753 120.570 0.001 0.000 2.362 569 I HA 0.446 4.617 4.170 0.001 0.000 0.289 569 I C -0.434 175.698 176.117 0.024 0.000 0.994 569 I CA -0.255 61.064 61.300 0.031 0.000 1.158 569 I CB 1.588 39.663 38.000 0.125 0.000 1.315 569 I HN 0.458 nan 8.210 nan 0.000 0.451 570 L N 6.656 127.831 121.223 -0.079 0.000 2.307 570 L HA 0.953 5.294 4.340 0.001 0.000 0.284 570 L C 0.011 176.616 176.870 -0.441 0.000 1.023 570 L CA 0.227 54.950 54.840 -0.196 0.000 0.810 570 L CB 1.327 43.259 42.059 -0.211 0.000 1.231 570 L HN 0.639 nan 8.230 nan 0.000 0.423 571 G N 1.897 110.245 108.800 -0.752 0.000 2.642 571 G HA2 0.718 4.678 3.960 0.001 0.000 0.293 571 G HA3 0.718 4.678 3.960 0.001 0.000 0.293 571 G C -1.692 172.666 174.900 -0.903 0.000 1.341 571 G CA -0.341 43.816 45.100 -1.573 0.000 0.916 571 G HN 0.732 nan 8.290 nan 0.000 0.474 572 S N -2.092 113.167 115.700 -0.736 0.000 2.643 572 S HA 0.548 5.019 4.470 0.001 0.000 0.270 572 S C 1.504 175.946 174.600 -0.263 0.000 1.166 572 S CA 0.529 58.263 58.200 -0.776 0.000 0.815 572 S CB 0.880 63.725 63.200 -0.591 0.000 1.139 572 S HN 1.233 nan 8.310 nan 0.000 0.472 573 T N 0.208 114.638 114.554 -0.206 0.000 2.788 573 T HA 0.069 4.419 4.350 0.001 0.000 0.268 573 T C 0.659 175.509 174.700 0.249 0.000 1.044 573 T CA 1.895 64.108 62.100 0.188 0.000 1.139 573 T CB -0.874 68.151 68.868 0.261 0.000 0.867 573 T HN 0.997 nan 8.240 nan 0.000 0.454 574 H N -1.926 117.081 119.070 -0.106 0.000 2.932 574 H HA 0.614 5.171 4.556 0.001 0.000 0.307 574 H C -1.494 173.720 175.328 -0.189 0.000 1.391 574 H CA -1.598 54.381 56.048 -0.116 0.000 1.130 574 H CB 0.500 30.219 29.762 -0.072 0.000 1.836 574 H HN -0.085 nan 8.280 nan 0.000 0.522 575 I N 2.339 122.779 120.570 -0.217 0.000 2.325 575 I HA 0.190 4.361 4.170 0.001 0.000 0.291 575 I C 0.117 176.065 176.117 -0.283 0.000 1.019 575 I CA -0.273 60.816 61.300 -0.352 0.000 1.302 575 I CB 0.730 38.486 38.000 -0.407 0.000 1.401 575 I HN 0.472 nan 8.210 nan 0.000 0.485 576 L N 5.252 126.264 121.223 -0.350 0.000 2.399 576 L HA 0.448 4.789 4.340 0.001 0.000 0.266 576 L C 0.533 177.364 176.870 -0.065 0.000 1.114 576 L CA -0.044 54.668 54.840 -0.214 0.000 0.804 576 L CB 1.470 43.383 42.059 -0.243 0.000 1.146 576 L HN 0.572 nan 8.230 nan 0.000 0.451 577 T N 1.456 116.014 114.554 0.007 0.000 2.900 577 T HA 0.319 4.669 4.350 0.001 0.000 0.295 577 T C -2.026 172.670 174.700 -0.008 0.000 1.044 577 T CA -1.260 60.893 62.100 0.090 0.000 0.995 577 T CB 2.240 71.197 68.868 0.148 0.000 1.072 577 T HN 0.270 nan 8.240 nan 0.000 0.473 578 P HA -0.073 nan 4.420 nan 0.000 0.215 578 P C 1.139 178.367 177.300 -0.119 0.000 1.157 578 P CA 1.226 64.258 63.100 -0.113 0.000 0.874 578 P CB 0.298 31.891 31.700 -0.179 0.000 0.790 579 E N -1.002 119.164 120.200 -0.057 0.000 2.150 579 E HA -0.080 4.270 4.350 0.001 0.000 0.193 579 E C 2.269 178.838 176.600 -0.053 0.000 0.985 579 E CA 1.002 57.379 56.400 -0.038 0.000 0.814 579 E CB -0.785 28.996 29.700 0.135 0.000 0.752 579 E HN 0.246 nan 8.360 nan 0.000 0.466 580 G N 1.553 110.342 108.800 -0.018 0.000 2.442 580 G HA2 -0.260 3.701 3.960 0.001 0.000 0.219 580 G HA3 -0.260 3.701 3.960 0.001 0.000 0.219 580 G C 1.548 176.382 174.900 -0.110 0.000 1.141 580 G CA 0.586 45.672 45.100 -0.025 0.000 0.763 580 G HN 0.161 nan 8.290 nan 0.000 0.554 581 L N 0.014 121.152 121.223 -0.142 0.000 2.027 581 L HA 0.115 4.456 4.340 0.001 0.000 0.206 581 L C 2.556 179.279 176.870 -0.245 0.000 1.074 581 L CA 1.327 56.044 54.840 -0.204 0.000 0.745 581 L CB -0.655 41.304 42.059 -0.167 0.000 0.898 581 L HN 0.101 nan 8.230 nan 0.000 0.433 582 L N -0.100 120.970 121.223 -0.254 0.000 2.081 582 L HA -0.205 4.136 4.340 0.001 0.000 0.212 582 L C 2.758 179.467 176.870 -0.267 0.000 1.080 582 L CA 1.718 56.355 54.840 -0.339 0.000 0.754 582 L CB -0.922 40.757 42.059 -0.633 0.000 0.893 582 L HN 0.288 nan 8.230 nan 0.000 0.433 583 R N -0.842 119.545 120.500 -0.188 0.000 2.148 583 R HA -0.113 4.227 4.340 0.001 0.000 0.227 583 R C 1.679 177.892 176.300 -0.146 0.000 1.103 583 R CA 1.010 57.059 56.100 -0.084 0.000 0.983 583 R CB -0.230 30.065 30.300 -0.009 0.000 0.874 583 R HN 0.452 nan 8.270 nan 0.000 0.451 584 D N 0.261 120.480 120.400 -0.302 0.000 2.194 584 D HA -0.072 4.569 4.640 0.001 0.000 0.204 584 D C 1.782 177.859 176.300 -0.372 0.000 0.964 584 D CA 0.682 54.342 54.000 -0.566 0.000 0.846 584 D CB 0.260 40.328 40.800 -1.221 0.000 0.962 584 D HN 0.070 nan 8.370 nan 0.000 0.490 585 L N 0.883 121.994 121.223 -0.188 0.000 2.217 585 L HA -0.075 4.266 4.340 0.001 0.000 0.211 585 L C 2.412 179.329 176.870 0.079 0.000 1.107 585 L CA 0.770 55.651 54.840 0.068 0.000 0.783 585 L CB -0.848 41.225 42.059 0.022 0.000 0.919 585 L HN -0.017 nan 8.230 nan 0.000 0.442 586 R N 1.490 121.999 120.500 0.015 0.000 2.070 586 R HA -0.160 4.181 4.340 0.001 0.000 0.233 586 R C 1.978 178.326 176.300 0.079 0.000 1.137 586 R CA 1.580 57.716 56.100 0.061 0.000 0.945 586 R CB -0.304 30.027 30.300 0.052 0.000 0.845 586 R HN 0.196 nan 8.270 nan 0.000 0.430 587 K N 0.460 120.894 120.400 0.056 0.000 2.585 587 K HA -0.084 4.236 4.320 0.001 0.000 0.194 587 K C 1.270 177.932 176.600 0.104 0.000 1.037 587 K CA 1.126 57.455 56.287 0.070 0.000 0.964 587 K CB -0.359 32.170 32.500 0.047 0.000 0.787 587 K HN 0.470 nan 8.250 nan 0.000 0.488 588 I N -3.958 116.692 120.570 0.134 0.000 3.883 588 I HA 0.125 4.295 4.170 0.001 0.000 0.326 588 I C 0.519 176.679 176.117 0.072 0.000 1.283 588 I CA 0.373 61.753 61.300 0.133 0.000 1.161 588 I CB 0.989 39.106 38.000 0.194 0.000 1.012 588 I HN -0.215 nan 8.210 nan 0.000 0.421 589 S N 0.254 115.987 115.700 0.055 0.000 3.051 589 S HA 0.264 4.735 4.470 0.001 0.000 0.250 589 S C 0.217 174.811 174.600 -0.010 0.000 0.906 589 S CA -0.412 57.780 58.200 -0.014 0.000 1.234 589 S CB -0.457 62.725 63.200 -0.030 0.000 1.175 589 S HN 0.531 nan 8.310 nan 0.000 0.635 590 N N 2.794 121.510 118.700 0.028 0.000 2.818 590 N HA 0.337 5.077 4.740 0.001 0.000 0.301 590 N C -2.736 172.789 175.510 0.024 0.000 1.821 590 N CA -0.635 52.436 53.050 0.035 0.000 0.930 590 N CB 0.768 39.294 38.487 0.065 0.000 1.263 590 N HN 0.240 nan 8.380 nan 0.000 0.487 591 P HA 0.000 nan 4.420 nan 0.000 0.216 591 P CA 0.000 63.104 63.100 0.007 0.000 0.800 591 P CB 0.000 31.702 31.700 0.003 0.000 0.726