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 2f2a_1_B DATA FIRST_RESID 4 DATA SEQUENCE ETVIGLEVHV ELKTDSKMFS PSPAHFGAEP NSNTNVIDLA YPGVLPVVNK DATA SEQUENCE RAVDWAMRAA MALNMEIATE SKFDRKNYFY PDNPKAYQIS QFDQPIGENG DATA SEQUENCE YIDIEVDGET KRIGITRLHM EEDAGKSTHK GEYSLVDLNR QGTPLIEIVS DATA SEQUENCE EPDIRSPKEA YAYLEKLRSI IQYTGVSDVK MEEGSLRCDA NISLRPYGQE DATA SEQUENCE KFGTKAELKN LNSFNYVRKG LEYEEKRQEE ELLNGGEIGQ ETRRFDESTG DATA SEQUENCE KTILMRVKEG SDDYRYFPEP DIVPLYIDDA WKERVRQTIP ELPDERKAKY DATA SEQUENCE VNELGLPAYD AHVLTLTKEM SDFFESTIEH GADVKLTSNW LMGGVNEYLN DATA SEQUENCE KNQVELLDTK LTPENLAGMI KLIEDGTMSS KIAKKVFPEL AAKGGNAKQI DATA SEQUENCE MEDNGLVQ 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.471 176.600 -0.215 0.000 1.382 4 E CA 0.000 56.073 56.400 -0.545 0.000 0.976 4 E CB 0.000 29.179 29.700 -0.868 0.000 0.812 5 T N 0.726 115.196 114.554 -0.141 0.000 2.995 5 T HA -0.108 4.264 4.350 0.037 0.000 0.456 5 T C -0.410 174.232 174.700 -0.097 0.000 0.777 5 T CA 0.713 62.761 62.100 -0.086 0.000 2.404 5 T CB -1.714 67.130 68.868 -0.040 0.000 1.682 5 T HN 0.612 nan 8.240 nan 0.000 0.624 6 V N 1.501 121.353 119.914 -0.103 0.000 2.364 6 V HA 0.810 4.952 4.120 0.037 0.000 0.272 6 V C 0.359 176.401 176.094 -0.086 0.000 1.036 6 V CA -0.763 61.479 62.300 -0.096 0.000 0.880 6 V CB 1.242 33.008 31.823 -0.094 0.000 0.991 6 V HN 0.652 nan 8.190 nan 0.000 0.460 7 I N 4.136 124.652 120.570 -0.090 0.000 2.797 7 I HA 0.914 5.106 4.170 0.037 0.000 0.307 7 I C 0.605 176.650 176.117 -0.120 0.000 1.033 7 I CA -0.690 60.553 61.300 -0.096 0.000 1.071 7 I CB 2.396 40.338 38.000 -0.097 0.000 1.255 7 I HN 0.853 nan 8.210 nan 0.000 0.445 8 G N 4.572 113.303 108.800 -0.115 0.000 2.731 8 G HA2 0.656 4.638 3.960 0.037 0.000 0.298 8 G HA3 0.656 4.638 3.960 0.037 0.000 0.298 8 G C -1.382 173.447 174.900 -0.119 0.000 1.424 8 G CA -0.477 44.540 45.100 -0.138 0.000 1.029 8 G HN 0.365 nan 8.290 nan 0.000 0.518 9 L N 0.764 121.888 121.223 -0.164 0.000 2.331 9 L HA 0.620 4.982 4.340 0.037 0.000 0.275 9 L C 0.004 176.870 176.870 -0.007 0.000 1.022 9 L CA -0.844 53.955 54.840 -0.068 0.000 0.812 9 L CB 2.420 44.452 42.059 -0.045 0.000 1.257 9 L HN 0.547 nan 8.230 nan 0.000 0.435 10 E N 1.959 122.185 120.200 0.044 0.000 2.207 10 E HA 0.436 4.808 4.350 0.037 0.000 0.250 10 E C -1.618 175.042 176.600 0.100 0.000 0.890 10 E CA -0.424 56.011 56.400 0.058 0.000 0.749 10 E CB 1.721 31.473 29.700 0.086 0.000 1.193 10 E HN 0.300 nan 8.360 nan 0.000 0.423 11 V N 3.494 123.440 119.914 0.053 0.000 2.630 11 V HA 0.398 4.540 4.120 0.037 0.000 0.305 11 V C -0.702 175.362 176.094 -0.050 0.000 1.046 11 V CA -0.757 61.593 62.300 0.083 0.000 0.934 11 V CB 1.664 33.544 31.823 0.096 0.000 1.003 11 V HN 0.661 nan 8.190 nan 0.000 0.451 12 H N 1.066 120.157 119.070 0.035 0.000 2.529 12 H HA 0.722 5.299 4.556 0.035 0.000 0.348 12 H C -0.840 174.508 175.328 0.033 0.000 1.079 12 H CA -0.392 55.671 56.048 0.025 0.000 1.198 12 H CB 2.004 31.790 29.762 0.041 0.000 1.521 12 H HN 0.418 nan 8.280 nan 0.000 0.514 13 V N 3.151 123.131 119.914 0.110 0.000 2.540 13 V HA 0.213 4.355 4.120 0.037 0.000 0.302 13 V C -0.146 176.013 176.094 0.109 0.000 1.035 13 V CA -0.889 61.464 62.300 0.089 0.000 0.873 13 V CB 1.868 33.719 31.823 0.047 0.000 0.992 13 V HN 0.785 nan 8.190 nan 0.000 0.428 14 E N 4.403 124.668 120.200 0.107 0.000 2.194 14 E HA 0.409 4.781 4.350 0.037 0.000 0.284 14 E C -0.893 175.794 176.600 0.146 0.000 1.035 14 E CA -0.319 56.156 56.400 0.124 0.000 0.836 14 E CB 1.198 30.968 29.700 0.116 0.000 1.070 14 E HN 0.483 nan 8.360 nan 0.000 0.401 15 L N 3.712 125.044 121.223 0.182 0.000 2.349 15 L HA 0.159 4.521 4.340 0.037 0.000 0.275 15 L C 0.819 177.891 176.870 0.337 0.000 1.115 15 L CA -0.148 54.866 54.840 0.290 0.000 0.820 15 L CB 0.430 42.678 42.059 0.314 0.000 1.135 15 L HN 0.418 nan 8.230 nan 0.000 0.445 16 K N 1.511 122.205 120.400 0.489 0.000 3.025 16 K HA 0.046 4.388 4.320 0.037 0.000 0.260 16 K C 0.532 177.450 176.600 0.530 0.000 1.023 16 K CA -0.173 56.408 56.287 0.491 0.000 1.194 16 K CB -0.640 32.087 32.500 0.379 0.000 1.094 16 K HN 0.693 nan 8.250 nan 0.000 0.460 17 T N -2.536 112.159 114.554 0.235 0.000 2.813 17 T HA 0.057 4.429 4.350 0.037 0.000 0.297 17 T C 0.694 175.328 174.700 -0.110 0.000 1.036 17 T CA -0.619 61.404 62.100 -0.128 0.000 1.044 17 T CB 1.013 69.718 68.868 -0.272 0.000 0.993 17 T HN -0.011 nan 8.240 nan 0.000 0.535 18 D N 0.445 120.723 120.400 -0.203 0.000 2.162 18 D HA 0.081 4.743 4.640 0.037 0.000 0.203 18 D C 1.293 177.426 176.300 -0.279 0.000 0.967 18 D CA 1.175 55.010 54.000 -0.275 0.000 0.840 18 D CB -0.048 40.651 40.800 -0.170 0.000 0.972 18 D HN 0.722 nan 8.370 nan 0.000 0.482 19 S N -1.057 114.524 115.700 -0.198 0.000 2.759 19 S HA 0.522 5.014 4.470 0.037 0.000 0.310 19 S C -0.008 174.515 174.600 -0.129 0.000 1.123 19 S CA -1.038 57.073 58.200 -0.149 0.000 0.959 19 S CB 2.281 65.406 63.200 -0.125 0.000 1.172 19 S HN -0.191 nan 8.310 nan 0.000 0.539 20 K N -0.340 119.999 120.400 -0.102 0.000 2.118 20 K HA 0.234 4.576 4.320 0.037 0.000 0.240 20 K C 1.081 177.572 176.600 -0.182 0.000 1.035 20 K CA -0.613 55.613 56.287 -0.102 0.000 0.899 20 K CB 0.112 32.574 32.500 -0.063 0.000 1.085 20 K HN 0.554 nan 8.250 nan 0.000 0.498 21 M N 0.458 119.894 119.600 -0.273 0.000 2.065 21 M HA -0.105 4.397 4.480 0.037 0.000 0.259 21 M C 0.591 176.446 176.300 -0.742 0.000 1.071 21 M CA 2.028 56.967 55.300 -0.602 0.000 1.109 21 M CB 0.017 32.076 32.600 -0.902 0.000 1.313 21 M HN 0.555 nan 8.290 nan 0.000 0.408 22 F N -1.087 118.819 119.950 -0.073 0.000 2.698 22 F HA 0.459 5.011 4.527 0.043 0.000 0.304 22 F C 0.382 176.136 175.800 -0.078 0.000 1.108 22 F CA -0.373 57.568 58.000 -0.100 0.000 1.263 22 F CB -0.056 38.872 39.000 -0.119 0.000 1.013 22 F HN 0.083 nan 8.300 nan 0.000 0.532 23 S N 0.804 116.519 115.700 0.024 0.000 2.541 23 S HA 0.434 4.926 4.470 0.037 0.000 0.271 23 S C -2.382 172.195 174.600 -0.037 0.000 1.133 23 S CA -1.275 56.926 58.200 0.002 0.000 0.876 23 S CB 1.954 65.157 63.200 0.005 0.000 1.105 23 S HN -0.120 nan 8.310 nan 0.000 0.470 24 P HA 0.112 nan 4.420 nan 0.000 0.242 24 P C 0.194 177.462 177.300 -0.054 0.000 1.197 24 P CA 0.050 63.120 63.100 -0.050 0.000 0.765 24 P CB -0.154 31.520 31.700 -0.042 0.000 0.936 25 S N 1.872 117.544 115.700 -0.047 0.000 2.568 25 S HA 0.167 4.659 4.470 0.037 0.000 0.282 25 S C -2.189 172.382 174.600 -0.047 0.000 1.338 25 S CA -0.524 57.651 58.200 -0.042 0.000 1.045 25 S CB -0.479 62.700 63.200 -0.036 0.000 0.873 25 S HN 0.104 nan 8.310 nan 0.000 0.516 26 P HA 0.133 nan 4.420 nan 0.000 0.268 26 P C -0.313 176.979 177.300 -0.014 0.000 1.204 26 P CA -0.023 63.046 63.100 -0.052 0.000 0.768 26 P CB 0.514 32.210 31.700 -0.007 0.000 0.842 27 A N 3.035 125.796 122.820 -0.098 0.000 2.169 27 A HA -0.033 4.309 4.320 0.037 0.000 0.212 27 A C 0.286 178.058 177.584 0.313 0.000 1.153 27 A CA 0.822 52.889 52.037 0.049 0.000 0.756 27 A CB -0.868 18.128 19.000 -0.007 0.000 0.813 27 A HN 0.660 nan 8.150 nan 0.000 0.471 28 H N -0.436 118.720 119.070 0.143 0.000 2.595 28 H HA 0.476 5.053 4.556 0.036 0.000 0.313 28 H C -0.822 174.592 175.328 0.143 0.000 1.023 28 H CA -1.015 55.092 56.048 0.097 0.000 1.218 28 H CB 0.681 30.456 29.762 0.021 0.000 1.403 28 H HN 0.430 nan 8.280 nan 0.000 0.477 29 F N 0.728 120.750 119.950 0.121 0.000 2.497 29 F HA 0.766 5.316 4.527 0.038 0.000 0.331 29 F C 0.652 176.482 175.800 0.050 0.000 1.060 29 F CA -1.186 56.854 58.000 0.066 0.000 0.989 29 F CB 0.389 39.416 39.000 0.046 0.000 1.245 29 F HN 0.457 nan 8.300 nan 0.000 0.486 30 G N -0.436 108.467 108.800 0.172 0.000 2.543 30 G HA2 0.468 4.450 3.960 0.037 0.000 0.267 30 G HA3 0.468 4.450 3.960 0.037 0.000 0.267 30 G C 0.433 175.399 174.900 0.109 0.000 1.406 30 G CA -0.517 44.620 45.100 0.061 0.000 1.048 30 G HN 1.022 nan 8.290 nan 0.000 0.548 31 A N -1.319 121.543 122.820 0.071 0.000 1.975 31 A HA 0.215 4.557 4.320 0.037 0.000 0.215 31 A C 1.285 178.932 177.584 0.106 0.000 1.170 31 A CA 0.817 52.904 52.037 0.082 0.000 0.656 31 A CB -0.407 18.617 19.000 0.039 0.000 0.821 31 A HN 0.610 nan 8.150 nan 0.000 0.449 32 E N 2.216 122.470 120.200 0.090 0.000 2.328 32 E HA 0.117 4.489 4.350 0.037 0.000 0.265 32 E C -2.234 174.417 176.600 0.085 0.000 1.057 32 E CA -2.007 54.437 56.400 0.073 0.000 0.916 32 E CB 0.575 30.307 29.700 0.053 0.000 0.993 32 E HN 0.275 nan 8.360 nan 0.000 0.446 33 P HA -0.082 nan 4.420 nan 0.000 0.268 33 P C -0.704 176.606 177.300 0.017 0.000 1.208 33 P CA -0.015 63.112 63.100 0.045 0.000 0.777 33 P CB 0.425 32.147 31.700 0.036 0.000 0.875 34 N N -0.447 118.245 118.700 -0.014 0.000 2.716 34 N HA -0.175 4.587 4.740 0.037 0.000 0.250 34 N C 0.659 176.163 175.510 -0.010 0.000 1.033 34 N CA 1.215 54.250 53.050 -0.025 0.000 0.727 34 N CB -1.792 36.684 38.487 -0.018 0.000 0.950 34 N HN 0.525 nan 8.380 nan 0.000 0.541 35 S N -0.820 114.884 115.700 0.007 0.000 2.540 35 S HA 0.135 4.627 4.470 0.037 0.000 0.222 35 S C 0.646 175.260 174.600 0.022 0.000 1.008 35 S CA -0.144 58.068 58.200 0.021 0.000 0.939 35 S CB 0.259 63.487 63.200 0.046 0.000 0.865 35 S HN 0.390 nan 8.310 nan 0.000 0.499 36 N N 1.968 120.676 118.700 0.012 0.000 2.610 36 N HA 0.256 5.018 4.740 0.037 0.000 0.309 36 N C -0.469 175.019 175.510 -0.036 0.000 1.536 36 N CA 0.046 53.105 53.050 0.014 0.000 0.954 36 N CB 0.879 39.414 38.487 0.080 0.000 1.310 36 N HN 0.445 nan 8.380 nan 0.000 0.502 37 T N -2.206 112.323 114.554 -0.042 0.000 2.864 37 T HA 0.714 5.086 4.350 0.037 0.000 0.289 37 T C -0.587 174.074 174.700 -0.065 0.000 1.082 37 T CA -0.806 61.260 62.100 -0.057 0.000 1.009 37 T CB 1.859 70.691 68.868 -0.060 0.000 1.234 37 T HN 0.252 nan 8.240 nan 0.000 0.526 38 N N -1.114 117.539 118.700 -0.078 0.000 2.972 38 N HA 0.380 5.142 4.740 0.037 0.000 0.262 38 N C 1.174 176.601 175.510 -0.139 0.000 1.478 38 N CA -0.419 52.568 53.050 -0.107 0.000 0.841 38 N CB 0.506 38.944 38.487 -0.081 0.000 1.512 38 N HN 0.780 nan 8.380 nan 0.000 0.548 39 V N -2.032 117.760 119.914 -0.202 0.000 2.688 39 V HA -0.083 4.059 4.120 0.037 0.000 0.256 39 V C 1.659 177.724 176.094 -0.049 0.000 1.084 39 V CA 1.329 63.483 62.300 -0.244 0.000 1.103 39 V CB -1.118 30.527 31.823 -0.296 0.000 0.688 39 V HN 0.638 nan 8.190 nan 0.000 0.480 40 I N 0.736 121.281 120.570 -0.042 0.000 2.286 40 I HA -0.102 4.090 4.170 0.037 0.000 0.245 40 I C 2.307 178.415 176.117 -0.015 0.000 1.104 40 I CA 1.672 62.964 61.300 -0.013 0.000 1.397 40 I CB -0.511 37.484 38.000 -0.008 0.000 1.072 40 I HN 0.274 nan 8.210 nan 0.000 0.417 41 D N 0.952 121.336 120.400 -0.026 0.000 2.269 41 D HA -0.060 4.602 4.640 0.037 0.000 0.208 41 D C 2.033 178.321 176.300 -0.020 0.000 0.963 41 D CA 1.071 55.053 54.000 -0.030 0.000 0.864 41 D CB -0.035 40.739 40.800 -0.044 0.000 0.936 41 D HN 0.343 nan 8.370 nan 0.000 0.505 42 L N 0.199 121.432 121.223 0.017 0.000 2.591 42 L HA 0.228 4.590 4.340 0.037 0.000 0.228 42 L C 0.911 177.856 176.870 0.125 0.000 1.133 42 L CA -0.066 54.831 54.840 0.094 0.000 0.880 42 L CB -0.222 41.950 42.059 0.189 0.000 1.033 42 L HN -0.083 nan 8.230 nan 0.000 0.450 43 A N -1.104 121.747 122.820 0.051 0.000 2.783 43 A HA -0.277 4.065 4.320 0.037 0.000 0.292 43 A C 0.164 177.784 177.584 0.059 0.000 1.495 43 A CA 0.448 52.483 52.037 -0.005 0.000 0.787 43 A CB -2.657 16.283 19.000 -0.100 0.000 1.017 43 A HN 0.344 nan 8.150 nan 0.000 0.516 44 Y N 0.259 120.527 120.300 -0.053 0.000 2.578 44 Y HA 0.328 4.900 4.550 0.038 0.000 0.339 44 Y C -1.125 174.759 175.900 -0.027 0.000 1.231 44 Y CA -0.603 57.476 58.100 -0.035 0.000 1.461 44 Y CB 0.320 38.763 38.460 -0.028 0.000 1.323 44 Y HN 0.383 nan 8.280 nan 0.000 0.590 45 P HA 0.107 nan 4.420 nan 0.000 0.268 45 P C 0.551 177.884 177.300 0.054 0.000 1.204 45 P CA 1.086 64.188 63.100 0.003 0.000 0.768 45 P CB 0.877 32.553 31.700 -0.041 0.000 0.842 46 G N 1.524 110.351 108.800 0.045 0.000 2.195 46 G HA2 -0.222 3.760 3.960 0.037 0.000 0.246 46 G HA3 -0.222 3.760 3.960 0.037 0.000 0.246 46 G C 0.130 175.058 174.900 0.046 0.000 0.984 46 G CA 0.108 45.235 45.100 0.045 0.000 0.633 46 G HN 0.714 nan 8.290 nan 0.000 0.525 47 V N -0.826 119.121 119.914 0.054 0.000 3.133 47 V HA 0.829 4.971 4.120 0.037 0.000 0.305 47 V C 0.681 176.790 176.094 0.025 0.000 1.084 47 V CA -0.738 61.585 62.300 0.038 0.000 1.089 47 V CB 1.594 33.442 31.823 0.042 0.000 1.073 47 V HN 0.458 nan 8.190 nan 0.000 0.477 48 L N 2.318 123.550 121.223 0.015 0.000 2.371 48 L HA 0.634 4.996 4.340 0.037 0.000 0.262 48 L C -2.531 174.339 176.870 0.001 0.000 1.006 48 L CA -1.764 53.080 54.840 0.007 0.000 0.818 48 L CB 2.821 44.886 42.059 0.009 0.000 1.354 48 L HN 0.560 nan 8.230 nan 0.000 0.415 49 P HA 0.271 nan 4.420 nan 0.000 0.288 49 P C -1.240 176.076 177.300 0.028 0.000 1.267 49 P CA -0.413 62.684 63.100 -0.005 0.000 0.815 49 P CB 1.777 33.379 31.700 -0.164 0.000 0.989 50 V N 0.847 120.811 119.914 0.082 0.000 2.380 50 V HA 0.287 4.429 4.120 0.037 0.000 0.286 50 V C 0.058 176.198 176.094 0.077 0.000 1.015 50 V CA -1.043 61.291 62.300 0.056 0.000 0.834 50 V CB 1.042 32.878 31.823 0.022 0.000 1.009 50 V HN 0.226 nan 8.190 nan 0.000 0.428 51 V N 3.765 123.728 119.914 0.082 0.000 2.673 51 V HA 0.082 4.224 4.120 0.037 0.000 0.303 51 V C 1.021 177.095 176.094 -0.033 0.000 1.046 51 V CA 0.179 62.497 62.300 0.030 0.000 1.126 51 V CB 0.542 32.387 31.823 0.037 0.000 0.934 51 V HN 0.992 nan 8.190 nan 0.000 0.487 52 N N 3.972 122.598 118.700 -0.122 0.000 2.420 52 N HA 0.037 4.799 4.740 0.037 0.000 0.262 52 N C 0.982 176.457 175.510 -0.060 0.000 1.144 52 N CA 0.121 53.098 53.050 -0.121 0.000 0.952 52 N CB 0.770 39.140 38.487 -0.196 0.000 1.081 52 N HN 0.792 nan 8.380 nan 0.000 0.480 53 K N 3.886 124.260 120.400 -0.044 0.000 2.032 53 K HA -0.189 4.153 4.320 0.037 0.000 0.209 53 K C 1.777 178.365 176.600 -0.021 0.000 1.048 53 K CA 1.241 57.530 56.287 0.003 0.000 0.927 53 K CB 0.061 32.542 32.500 -0.033 0.000 0.712 53 K HN 0.467 nan 8.250 nan 0.000 0.441 54 R N 0.117 120.518 120.500 -0.165 0.000 2.096 54 R HA -0.097 4.265 4.340 0.037 0.000 0.235 54 R C 2.094 178.158 176.300 -0.394 0.000 1.127 54 R CA 1.472 57.359 56.100 -0.356 0.000 0.968 54 R CB -0.370 29.564 30.300 -0.611 0.000 0.861 54 R HN 0.331 nan 8.270 nan 0.000 0.440 55 A N -0.145 122.513 122.820 -0.269 0.000 1.940 55 A HA -0.116 4.226 4.320 0.037 0.000 0.219 55 A C 2.210 179.831 177.584 0.061 0.000 1.176 55 A CA 1.680 53.651 52.037 -0.111 0.000 0.631 55 A CB -0.479 18.457 19.000 -0.107 0.000 0.814 55 A HN 0.227 nan 8.150 nan 0.000 0.446 56 V N 0.447 120.422 119.914 0.102 0.000 2.307 56 V HA -0.208 3.934 4.120 0.037 0.000 0.245 56 V C 2.158 178.361 176.094 0.183 0.000 1.045 56 V CA 2.166 64.575 62.300 0.182 0.000 1.024 56 V CB -0.753 31.253 31.823 0.304 0.000 0.651 56 V HN 0.493 nan 8.190 nan 0.000 0.449 57 D N -0.915 119.635 120.400 0.250 0.000 2.097 57 D HA -0.186 4.476 4.640 0.037 0.000 0.195 57 D C 1.938 178.448 176.300 0.350 0.000 0.989 57 D CA 1.254 55.442 54.000 0.313 0.000 0.827 57 D CB -0.264 40.746 40.800 0.350 0.000 0.966 57 D HN 0.507 nan 8.370 nan 0.000 0.456 58 W N 1.573 122.914 121.300 0.067 0.000 2.363 58 W HA 0.065 4.746 4.660 0.036 0.000 0.296 58 W C 2.572 179.099 176.519 0.012 0.000 1.212 58 W CA 0.586 57.953 57.345 0.038 0.000 1.260 58 W CB -1.142 28.342 29.460 0.039 0.000 1.131 58 W HN -0.039 nan 8.180 nan 0.000 0.530 59 A N 0.721 123.687 122.820 0.244 0.000 1.877 59 A HA -0.212 4.130 4.320 0.037 0.000 0.216 59 A C 2.055 179.663 177.584 0.040 0.000 1.186 59 A CA 2.464 54.570 52.037 0.115 0.000 0.620 59 A CB -0.982 18.072 19.000 0.089 0.000 0.822 59 A HN 0.325 nan 8.150 nan 0.000 0.443 60 M N -1.544 118.065 119.600 0.014 0.000 2.319 60 M HA 0.027 4.529 4.480 0.037 0.000 0.265 60 M C 2.109 178.391 176.300 -0.029 0.000 1.068 60 M CA 1.945 57.209 55.300 -0.060 0.000 1.118 60 M CB -0.467 32.032 32.600 -0.168 0.000 1.395 60 M HN 0.323 nan 8.290 nan 0.000 0.435 61 R N 1.378 121.897 120.500 0.030 0.000 2.073 61 R HA -0.048 4.314 4.340 0.037 0.000 0.234 61 R C 2.402 178.683 176.300 -0.031 0.000 1.134 61 R CA 1.850 57.957 56.100 0.011 0.000 0.952 61 R CB -0.411 29.910 30.300 0.034 0.000 0.850 61 R HN 0.470 nan 8.270 nan 0.000 0.433 62 A N 0.517 123.322 122.820 -0.025 0.000 1.902 62 A HA -0.086 4.256 4.320 0.037 0.000 0.217 62 A C 2.360 179.903 177.584 -0.067 0.000 1.181 62 A CA 1.664 53.671 52.037 -0.051 0.000 0.623 62 A CB -0.909 18.072 19.000 -0.033 0.000 0.818 62 A HN 0.540 nan 8.150 nan 0.000 0.443 63 A N -0.597 122.186 122.820 -0.061 0.000 1.902 63 A HA -0.143 4.199 4.320 0.037 0.000 0.217 63 A C 2.265 179.790 177.584 -0.098 0.000 1.181 63 A CA 1.885 53.874 52.037 -0.080 0.000 0.623 63 A CB -0.522 18.430 19.000 -0.080 0.000 0.818 63 A HN 0.539 nan 8.150 nan 0.000 0.443 64 M N -0.803 118.744 119.600 -0.088 0.000 2.200 64 M HA -0.071 4.431 4.480 0.037 0.000 0.265 64 M C 2.449 178.682 176.300 -0.112 0.000 1.066 64 M CA 1.168 56.412 55.300 -0.094 0.000 1.127 64 M CB -0.311 32.247 32.600 -0.070 0.000 1.379 64 M HN 0.468 nan 8.290 nan 0.000 0.420 65 A N 0.229 122.988 122.820 -0.103 0.000 2.070 65 A HA -0.063 4.279 4.320 0.037 0.000 0.220 65 A C 1.797 179.281 177.584 -0.166 0.000 1.159 65 A CA 1.097 53.064 52.037 -0.117 0.000 0.656 65 A CB -0.708 18.234 19.000 -0.096 0.000 0.800 65 A HN 0.497 nan 8.150 nan 0.000 0.453 66 L N -0.485 120.635 121.223 -0.172 0.000 2.685 66 L HA 0.095 4.457 4.340 0.037 0.000 0.233 66 L C -0.064 176.617 176.870 -0.315 0.000 1.173 66 L CA -0.222 54.485 54.840 -0.220 0.000 0.961 66 L CB -0.488 41.479 42.059 -0.154 0.000 1.217 66 L HN 0.408 nan 8.230 nan 0.000 0.478 67 N N 0.041 118.560 118.700 -0.300 0.000 2.725 67 N HA -0.193 4.569 4.740 0.037 0.000 0.249 67 N C 0.051 175.441 175.510 -0.201 0.000 1.103 67 N CA 1.017 53.877 53.050 -0.317 0.000 0.707 67 N CB -1.205 36.880 38.487 -0.671 0.000 1.043 67 N HN 0.447 nan 8.380 nan 0.000 0.553 68 M N 0.525 120.038 119.600 -0.145 0.000 2.247 68 M HA 0.157 4.659 4.480 0.037 0.000 0.326 68 M C 0.936 177.190 176.300 -0.077 0.000 1.134 68 M CA -0.054 55.191 55.300 -0.092 0.000 1.136 68 M CB 1.012 33.560 32.600 -0.086 0.000 1.454 68 M HN 0.021 nan 8.290 nan 0.000 0.467 69 E N 2.165 122.328 120.200 -0.061 0.000 2.259 69 E HA 0.214 4.586 4.350 0.037 0.000 0.281 69 E C -1.157 175.391 176.600 -0.086 0.000 1.037 69 E CA -0.610 55.752 56.400 -0.062 0.000 0.854 69 E CB 0.708 30.380 29.700 -0.048 0.000 1.051 69 E HN 0.370 nan 8.360 nan 0.000 0.409 70 I N 3.390 123.899 120.570 -0.102 0.000 2.428 70 I HA 0.193 4.385 4.170 0.037 0.000 0.289 70 I C 0.817 176.843 176.117 -0.152 0.000 1.019 70 I CA -0.506 60.711 61.300 -0.137 0.000 1.351 70 I CB 0.415 38.317 38.000 -0.164 0.000 1.412 70 I HN 0.579 nan 8.210 nan 0.000 0.513 71 A N 5.036 127.754 122.820 -0.169 0.000 2.425 71 A HA 0.375 4.717 4.320 0.037 0.000 0.242 71 A C 1.127 178.574 177.584 -0.229 0.000 1.077 71 A CA 0.032 51.963 52.037 -0.176 0.000 0.781 71 A CB 0.142 19.040 19.000 -0.170 0.000 1.020 71 A HN 0.856 nan 8.150 nan 0.000 0.494 72 T N 0.890 115.303 114.554 -0.235 0.000 2.988 72 T HA 0.086 4.458 4.350 0.037 0.000 0.240 72 T C 0.419 174.879 174.700 -0.399 0.000 1.014 72 T CA 0.919 62.799 62.100 -0.366 0.000 1.155 72 T CB -0.102 68.558 68.868 -0.347 0.000 0.872 72 T HN 0.753 nan 8.240 nan 0.000 0.440 73 E N 1.730 121.790 120.200 -0.233 0.000 2.146 73 E HA 0.536 4.908 4.350 0.037 0.000 0.282 73 E C -1.016 175.524 176.600 -0.100 0.000 0.989 73 E CA -0.273 56.061 56.400 -0.110 0.000 0.799 73 E CB 1.425 31.118 29.700 -0.012 0.000 1.088 73 E HN 0.075 nan 8.360 nan 0.000 0.397 74 S N 3.137 118.787 115.700 -0.083 0.000 2.668 74 S HA 0.401 4.893 4.470 0.037 0.000 0.277 74 S C -1.235 173.296 174.600 -0.114 0.000 1.170 74 S CA -0.935 57.188 58.200 -0.129 0.000 0.994 74 S CB 0.412 63.494 63.200 -0.195 0.000 1.051 74 S HN 0.438 nan 8.310 nan 0.000 0.484 75 K N 2.625 122.953 120.400 -0.121 0.000 2.316 75 K HA 0.824 5.166 4.320 0.037 0.000 0.234 75 K C -1.224 175.254 176.600 -0.204 0.000 1.054 75 K CA -0.649 55.606 56.287 -0.052 0.000 0.879 75 K CB 0.207 32.749 32.500 0.071 0.000 1.252 75 K HN 0.318 nan 8.250 nan 0.000 0.471 76 F N 0.007 119.986 119.950 0.048 0.000 2.440 76 F HA 0.467 5.014 4.527 0.033 0.000 0.328 76 F C -0.505 175.284 175.800 -0.018 0.000 1.070 76 F CA -0.199 57.819 58.000 0.031 0.000 1.011 76 F CB 1.748 40.763 39.000 0.025 0.000 1.226 76 F HN 0.538 nan 8.300 nan 0.000 0.491 77 D N -0.507 119.978 120.400 0.143 0.000 2.547 77 D HA 0.454 5.116 4.640 0.037 0.000 0.231 77 D C -1.080 175.171 176.300 -0.082 0.000 1.099 77 D CA -0.951 53.056 54.000 0.012 0.000 0.901 77 D CB 1.468 42.324 40.800 0.093 0.000 1.478 77 D HN 0.271 nan 8.370 nan 0.000 0.471 78 R N 1.047 121.310 120.500 -0.396 0.000 2.254 78 R HA 0.328 4.690 4.340 0.037 0.000 0.318 78 R C -0.291 175.809 176.300 -0.333 0.000 1.031 78 R CA -0.619 55.181 56.100 -0.499 0.000 0.905 78 R CB 1.191 30.790 30.300 -1.168 0.000 1.050 78 R HN 0.233 nan 8.270 nan 0.000 0.456 79 K N 3.739 124.029 120.400 -0.184 0.000 2.300 79 K HA 0.142 4.484 4.320 0.037 0.000 0.264 79 K C -0.688 175.827 176.600 -0.141 0.000 1.083 79 K CA -0.421 55.659 56.287 -0.346 0.000 0.958 79 K CB 0.417 32.782 32.500 -0.225 0.000 1.318 79 K HN 0.521 nan 8.250 nan 0.000 0.448 80 N N 4.188 122.814 118.700 -0.123 0.000 2.497 80 N HA 0.088 4.850 4.740 0.037 0.000 0.271 80 N C -1.046 174.581 175.510 0.194 0.000 1.142 80 N CA 0.267 53.303 53.050 -0.024 0.000 0.965 80 N CB 0.697 39.168 38.487 -0.028 0.000 1.077 80 N HN 0.513 nan 8.380 nan 0.000 0.462 81 Y N -0.361 119.931 120.300 -0.013 0.000 2.452 81 Y HA 0.385 4.952 4.550 0.028 0.000 0.323 81 Y C -2.070 173.832 175.900 0.003 0.000 1.244 81 Y CA -1.351 56.799 58.100 0.084 0.000 1.158 81 Y CB -0.346 38.252 38.460 0.229 0.000 1.332 81 Y HN 0.175 nan 8.280 nan 0.000 0.456 82 F N 4.377 124.497 119.950 0.284 0.000 2.396 82 F HA 0.678 5.201 4.527 -0.005 0.000 0.343 82 F C -0.451 175.593 175.800 0.406 0.000 1.104 82 F CA -0.221 57.905 58.000 0.211 0.000 1.161 82 F CB 1.141 40.227 39.000 0.143 0.000 1.146 82 F HN 0.616 nan 8.300 nan 0.000 0.522 83 Y N 4.203 124.673 120.300 0.284 0.000 2.458 83 Y HA 0.146 4.716 4.550 0.032 0.000 0.330 83 Y C -2.129 173.849 175.900 0.130 0.000 1.292 83 Y CA -2.082 56.157 58.100 0.232 0.000 1.262 83 Y CB 1.425 40.082 38.460 0.328 0.000 1.324 83 Y HN 0.283 nan 8.280 nan 0.000 0.468 84 P HA -0.188 nan 4.420 nan 0.000 0.219 84 P C 0.381 177.595 177.300 -0.144 0.000 1.144 84 P CA 2.278 65.221 63.100 -0.261 0.000 0.806 84 P CB 0.275 31.761 31.700 -0.357 0.000 0.771 85 D N -2.206 118.155 120.400 -0.066 0.000 2.349 85 D HA -0.011 4.651 4.640 0.037 0.000 0.214 85 D C 0.431 176.776 176.300 0.076 0.000 1.063 85 D CA -0.129 53.901 54.000 0.050 0.000 0.847 85 D CB -0.945 39.943 40.800 0.146 0.000 0.933 85 D HN 0.030 nan 8.370 nan 0.000 0.513 86 N N 0.894 119.633 118.700 0.064 0.000 2.886 86 N HA 0.191 4.953 4.740 0.037 0.000 0.285 86 N C -1.775 173.646 175.510 -0.149 0.000 1.706 86 N CA -2.043 50.972 53.050 -0.058 0.000 0.904 86 N CB 1.063 39.468 38.487 -0.137 0.000 1.224 86 N HN -0.194 nan 8.380 nan 0.000 0.488 87 P HA -0.252 nan 4.420 nan 0.000 0.218 87 P C 0.633 177.809 177.300 -0.207 0.000 1.154 87 P CA 1.473 64.494 63.100 -0.130 0.000 0.872 87 P CB 0.420 32.064 31.700 -0.094 0.000 0.790 88 K N -1.049 119.144 120.400 -0.344 0.000 2.362 88 K HA 0.118 4.460 4.320 0.037 0.000 0.200 88 K C 1.199 177.487 176.600 -0.521 0.000 1.046 88 K CA 0.834 56.797 56.287 -0.541 0.000 0.952 88 K CB -0.278 31.602 32.500 -1.034 0.000 0.753 88 K HN 0.094 nan 8.250 nan 0.000 0.466 89 A N 0.415 122.958 122.820 -0.461 0.000 3.031 89 A HA -0.215 4.127 4.320 0.037 0.000 0.244 89 A C -0.483 176.817 177.584 -0.474 0.000 1.341 89 A CA 1.486 53.205 52.037 -0.531 0.000 0.943 89 A CB -2.580 16.015 19.000 -0.674 0.000 1.122 89 A HN 0.558 nan 8.150 nan 0.000 0.760 90 Y N -3.227 116.769 120.300 -0.505 0.000 2.465 90 Y HA 0.665 5.240 4.550 0.041 0.000 0.323 90 Y C -1.013 174.674 175.900 -0.356 0.000 1.191 90 Y CA -0.419 57.401 58.100 -0.466 0.000 1.082 90 Y CB 0.426 38.679 38.460 -0.345 0.000 1.334 90 Y HN 0.495 nan 8.280 nan 0.000 0.449 91 Q N 4.311 124.049 119.800 -0.104 0.000 2.278 91 Q HA 0.566 4.928 4.340 0.037 0.000 0.257 91 Q C -1.106 174.965 176.000 0.119 0.000 0.928 91 Q CA -0.743 55.070 55.803 0.016 0.000 0.932 91 Q CB 1.106 29.924 28.738 0.134 0.000 1.221 91 Q HN 0.864 nan 8.270 nan 0.000 0.434 92 I N 3.149 123.777 120.570 0.097 0.000 2.452 92 I HA 0.113 4.305 4.170 0.037 0.000 0.287 92 I C 0.336 176.608 176.117 0.260 0.000 1.079 92 I CA 0.271 61.576 61.300 0.007 0.000 1.387 92 I CB 1.072 38.714 38.000 -0.596 0.000 1.404 92 I HN 0.622 nan 8.210 nan 0.000 0.522 93 S N 5.151 121.018 115.700 0.277 0.000 3.144 93 S HA 0.509 5.001 4.470 0.037 0.000 0.325 93 S C -1.425 173.308 174.600 0.223 0.000 1.161 93 S CA -0.595 57.806 58.200 0.335 0.000 0.920 93 S CB 1.716 65.064 63.200 0.247 0.000 1.340 93 S HN 0.626 nan 8.310 nan 0.000 0.681 94 Q N 0.524 120.300 119.800 -0.040 0.000 2.292 94 Q HA 0.411 4.773 4.340 0.037 0.000 0.270 94 Q C -1.038 174.788 176.000 -0.291 0.000 1.024 94 Q CA -0.429 55.267 55.803 -0.178 0.000 0.768 94 Q CB 1.996 30.600 28.738 -0.225 0.000 1.250 94 Q HN 0.623 nan 8.270 nan 0.000 0.447 95 F N 2.542 122.279 119.950 -0.355 0.000 2.403 95 F HA 0.117 4.679 4.527 0.059 0.000 0.263 95 F C 1.285 176.898 175.800 -0.311 0.000 1.020 95 F CA 1.037 58.750 58.000 -0.478 0.000 1.091 95 F CB 0.311 38.952 39.000 -0.598 0.000 1.141 95 F HN 0.524 nan 8.300 nan 0.000 0.633 96 D N 0.017 120.240 120.400 -0.294 0.000 2.144 96 D HA -0.081 4.581 4.640 0.037 0.000 0.200 96 D C 0.392 176.554 176.300 -0.231 0.000 0.978 96 D CA 1.240 55.048 54.000 -0.319 0.000 0.833 96 D CB -0.201 40.547 40.800 -0.086 0.000 0.961 96 D HN 0.449 nan 8.370 nan 0.000 0.470 97 Q N 1.089 120.783 119.800 -0.176 0.000 2.849 97 Q HA 0.248 4.610 4.340 0.037 0.000 0.289 97 Q C -2.452 173.443 176.000 -0.176 0.000 1.012 97 Q CA -1.627 54.081 55.803 -0.158 0.000 0.899 97 Q CB 1.857 30.521 28.738 -0.123 0.000 1.235 97 Q HN 0.152 nan 8.270 nan 0.000 0.457 98 P HA -0.032 nan 4.420 nan 0.000 0.269 98 P C 0.600 177.828 177.300 -0.121 0.000 1.209 98 P CA 0.033 63.067 63.100 -0.111 0.000 0.776 98 P CB 1.445 33.114 31.700 -0.051 0.000 0.876 99 I N 0.861 121.361 120.570 -0.118 0.000 2.454 99 I HA -0.064 4.128 4.170 0.037 0.000 0.254 99 I C 0.930 176.972 176.117 -0.126 0.000 1.156 99 I CA 1.310 62.523 61.300 -0.144 0.000 1.433 99 I CB -0.265 37.654 38.000 -0.136 0.000 1.082 99 I HN 0.446 nan 8.210 nan 0.000 0.432 100 G N 0.457 109.202 108.800 -0.091 0.000 2.591 100 G HA2 0.601 4.583 3.960 0.037 0.000 0.306 100 G HA3 0.601 4.583 3.960 0.037 0.000 0.306 100 G C -1.410 173.447 174.900 -0.071 0.000 1.334 100 G CA -0.355 44.693 45.100 -0.086 0.000 0.981 100 G HN 0.207 nan 8.290 nan 0.000 0.491 101 E N 0.830 120.989 120.200 -0.069 0.000 2.383 101 E HA 0.261 4.633 4.350 0.037 0.000 0.275 101 E C -0.735 175.842 176.600 -0.039 0.000 0.918 101 E CA -1.074 55.292 56.400 -0.056 0.000 0.764 101 E CB 1.882 31.543 29.700 -0.064 0.000 1.252 101 E HN 0.492 nan 8.360 nan 0.000 0.449 102 N N 0.974 119.660 118.700 -0.023 0.000 2.642 102 N HA -0.171 4.591 4.740 0.037 0.000 0.269 102 N C -0.321 175.205 175.510 0.026 0.000 1.073 102 N CA 1.161 54.214 53.050 0.005 0.000 0.748 102 N CB -0.924 37.566 38.487 0.005 0.000 0.894 102 N HN 0.704 nan 8.380 nan 0.000 0.548 103 G N -0.462 108.345 108.800 0.013 0.000 2.736 103 G HA2 0.743 4.725 3.960 0.037 0.000 0.229 103 G HA3 0.743 4.725 3.960 0.037 0.000 0.229 103 G C -0.526 174.429 174.900 0.092 0.000 1.380 103 G CA -0.255 44.827 45.100 -0.030 0.000 1.040 103 G HN 0.482 nan 8.290 nan 0.000 0.568 104 Y N -3.279 117.021 120.300 0.001 0.000 2.638 104 Y HA 0.683 5.255 4.550 0.036 0.000 0.334 104 Y C -2.106 173.801 175.900 0.013 0.000 1.182 104 Y CA -1.770 56.341 58.100 0.019 0.000 1.102 104 Y CB 0.735 39.197 38.460 0.004 0.000 1.343 104 Y HN 0.518 nan 8.280 nan 0.000 0.463 105 I N 3.198 123.947 120.570 0.298 0.000 2.534 105 I HA 0.382 4.574 4.170 0.037 0.000 0.288 105 I C -1.301 174.939 176.117 0.206 0.000 1.077 105 I CA -0.739 60.658 61.300 0.163 0.000 1.051 105 I CB 1.764 39.769 38.000 0.007 0.000 1.234 105 I HN 0.671 nan 8.210 nan 0.000 0.425 106 D N 6.214 126.714 120.400 0.167 0.000 2.210 106 D HA 0.553 5.215 4.640 0.037 0.000 0.249 106 D C -0.641 175.688 176.300 0.048 0.000 1.062 106 D CA -0.030 54.031 54.000 0.101 0.000 0.891 106 D CB 2.330 43.180 40.800 0.084 0.000 1.186 106 D HN 0.232 nan 8.370 nan 0.000 0.432 107 I N 0.498 121.093 120.570 0.043 0.000 2.994 107 I HA 0.188 4.380 4.170 0.037 0.000 0.306 107 I C -1.234 174.895 176.117 0.021 0.000 1.195 107 I CA -0.745 60.572 61.300 0.027 0.000 1.001 107 I CB 2.188 40.213 38.000 0.042 0.000 1.244 107 I HN 0.021 nan 8.210 nan 0.000 0.437 108 E N 4.319 124.528 120.200 0.015 0.000 2.146 108 E HA 0.548 4.920 4.350 0.037 0.000 0.282 108 E C -1.351 175.259 176.600 0.016 0.000 0.989 108 E CA -0.296 56.110 56.400 0.010 0.000 0.799 108 E CB 1.725 31.425 29.700 -0.000 0.000 1.088 108 E HN 0.371 nan 8.360 nan 0.000 0.397 109 V N 3.211 123.133 119.914 0.014 0.000 2.569 109 V HA 0.111 4.253 4.120 0.037 0.000 0.301 109 V C -0.361 175.739 176.094 0.009 0.000 1.044 109 V CA -0.971 61.339 62.300 0.016 0.000 0.874 109 V CB 1.778 33.615 31.823 0.023 0.000 1.002 109 V HN 0.672 nan 8.190 nan 0.000 0.424 110 D N 3.906 124.310 120.400 0.006 0.000 2.701 110 D HA -0.204 4.458 4.640 0.037 0.000 0.235 110 D C 1.379 177.679 176.300 -0.000 0.000 1.155 110 D CA 1.749 55.750 54.000 0.002 0.000 0.649 110 D CB -0.995 39.808 40.800 0.005 0.000 1.050 110 D HN 1.546 nan 8.370 nan 0.000 0.425 111 G N -0.902 107.897 108.800 -0.002 0.000 2.168 111 G HA2 -0.340 3.642 3.960 0.037 0.000 0.263 111 G HA3 -0.340 3.642 3.960 0.037 0.000 0.263 111 G C 0.093 174.991 174.900 -0.002 0.000 0.977 111 G CA 0.749 45.847 45.100 -0.003 0.000 0.659 111 G HN 0.458 nan 8.290 nan 0.000 0.533 112 E N 0.108 120.308 120.200 0.000 0.000 2.221 112 E HA 0.525 4.897 4.350 0.037 0.000 0.268 112 E C -0.433 176.168 176.600 0.001 0.000 0.933 112 E CA -0.423 55.977 56.400 -0.000 0.000 0.809 112 E CB 1.426 31.126 29.700 0.001 0.000 1.190 112 E HN 0.076 nan 8.360 nan 0.000 0.406 113 T N 2.231 116.784 114.554 -0.003 0.000 2.738 113 T HA 0.239 4.611 4.350 0.037 0.000 0.298 113 T C 0.153 174.851 174.700 -0.004 0.000 0.962 113 T CA -0.266 61.832 62.100 -0.003 0.000 0.972 113 T CB 0.529 69.392 68.868 -0.008 0.000 0.928 113 T HN 0.170 nan 8.240 nan 0.000 0.474 114 K N 2.899 123.302 120.400 0.005 0.000 2.221 114 K HA 0.492 4.834 4.320 0.037 0.000 0.258 114 K C -0.377 176.231 176.600 0.014 0.000 0.944 114 K CA -0.970 55.320 56.287 0.005 0.000 0.823 114 K CB 1.357 33.865 32.500 0.013 0.000 1.113 114 K HN 0.427 nan 8.250 nan 0.000 0.431 115 R N 5.333 125.831 120.500 -0.004 0.000 2.229 115 R HA 0.281 4.643 4.340 0.037 0.000 0.332 115 R C -0.680 175.641 176.300 0.035 0.000 0.989 115 R CA -0.588 55.516 56.100 0.006 0.000 0.842 115 R CB 0.594 30.841 30.300 -0.089 0.000 1.119 115 R HN 0.495 nan 8.270 nan 0.000 0.456 116 I N 4.811 125.444 120.570 0.105 0.000 2.306 116 I HA 0.253 4.445 4.170 0.037 0.000 0.288 116 I C 0.998 177.199 176.117 0.141 0.000 1.036 116 I CA -0.403 60.952 61.300 0.092 0.000 1.221 116 I CB 0.596 38.682 38.000 0.143 0.000 1.385 116 I HN 0.759 nan 8.210 nan 0.000 0.472 117 G N 7.192 116.037 108.800 0.075 0.000 2.544 117 G HA2 0.488 4.470 3.960 0.037 0.000 0.242 117 G HA3 0.488 4.470 3.960 0.037 0.000 0.242 117 G C -0.197 174.749 174.900 0.076 0.000 1.247 117 G CA -0.368 44.792 45.100 0.100 0.000 0.840 117 G HN 0.564 nan 8.290 nan 0.000 0.578 118 I N 1.733 122.355 120.570 0.088 0.000 2.439 118 I HA 0.130 4.322 4.170 0.037 0.000 0.283 118 I C 1.625 177.755 176.117 0.021 0.000 1.023 118 I CA -0.606 60.732 61.300 0.063 0.000 1.100 118 I CB 1.942 39.997 38.000 0.092 0.000 1.238 118 I HN 0.745 nan 8.210 nan 0.000 0.445 119 T N 3.333 117.888 114.554 0.001 0.000 2.684 119 T HA -0.124 4.248 4.350 0.037 0.000 0.267 119 T C 0.813 175.500 174.700 -0.022 0.000 1.036 119 T CA 1.020 63.112 62.100 -0.014 0.000 1.148 119 T CB -0.019 68.837 68.868 -0.020 0.000 0.863 119 T HN 0.749 nan 8.240 nan 0.000 0.436 120 R N -0.685 119.802 120.500 -0.022 0.000 2.716 120 R HA 0.686 5.048 4.340 0.037 0.000 0.271 120 R C -2.151 174.118 176.300 -0.052 0.000 1.028 120 R CA -1.271 54.812 56.100 -0.028 0.000 0.883 120 R CB 1.130 31.428 30.300 -0.003 0.000 1.250 120 R HN 0.182 nan 8.270 nan 0.000 0.465 121 L N 2.956 124.145 121.223 -0.056 0.000 2.446 121 L HA 0.513 4.875 4.340 0.037 0.000 0.268 121 L C -1.207 175.636 176.870 -0.044 0.000 0.975 121 L CA -0.138 54.644 54.840 -0.097 0.000 0.848 121 L CB 1.333 43.346 42.059 -0.077 0.000 1.225 121 L HN 0.997 nan 8.230 nan 0.000 0.410 122 H N 3.356 122.391 119.070 -0.058 0.000 2.865 122 H HA 0.606 5.186 4.556 0.040 0.000 0.372 122 H C -1.326 174.008 175.328 0.010 0.000 1.173 122 H CA -1.229 54.789 56.048 -0.049 0.000 1.147 122 H CB 2.025 31.753 29.762 -0.057 0.000 1.805 122 H HN 0.576 nan 8.280 nan 0.000 0.553 123 M N 1.792 121.551 119.600 0.265 0.000 2.367 123 M HA 0.288 4.790 4.480 0.037 0.000 0.339 123 M C -0.419 176.166 176.300 0.476 0.000 1.177 123 M CA 0.051 55.532 55.300 0.302 0.000 1.068 123 M CB 1.713 34.504 32.600 0.319 0.000 1.602 123 M HN 0.780 nan 8.290 nan 0.000 0.457 124 E N 0.876 121.317 120.200 0.401 0.000 2.442 124 E HA 0.445 4.817 4.350 0.037 0.000 0.278 124 E C -1.837 174.956 176.600 0.322 0.000 1.082 124 E CA -1.165 55.507 56.400 0.454 0.000 0.861 124 E CB 1.322 31.290 29.700 0.447 0.000 1.462 124 E HN 0.695 nan 8.360 nan 0.000 0.458 125 E N 0.789 121.204 120.200 0.358 0.000 2.221 125 E HA 0.438 4.810 4.350 0.037 0.000 0.268 125 E C -1.068 175.647 176.600 0.192 0.000 0.933 125 E CA -0.860 55.682 56.400 0.238 0.000 0.809 125 E CB 1.743 31.639 29.700 0.328 0.000 1.190 125 E HN 0.374 nan 8.360 nan 0.000 0.406 126 D N 0.406 120.886 120.400 0.133 0.000 2.348 126 D HA 0.434 5.096 4.640 0.037 0.000 0.249 126 D C -0.706 175.647 176.300 0.089 0.000 1.110 126 D CA -0.267 53.799 54.000 0.111 0.000 0.967 126 D CB 1.613 42.469 40.800 0.094 0.000 1.139 126 D HN 0.584 nan 8.370 nan 0.000 0.466 127 A N 0.809 123.683 122.820 0.091 0.000 2.242 127 A HA 0.706 5.048 4.320 0.037 0.000 0.304 127 A C 0.681 178.293 177.584 0.047 0.000 1.100 127 A CA 0.020 52.110 52.037 0.089 0.000 0.860 127 A CB 0.426 19.521 19.000 0.158 0.000 1.168 127 A HN 0.514 nan 8.150 nan 0.000 0.503 128 G N -0.891 107.929 108.800 0.033 0.000 2.508 128 G HA2 0.491 4.473 3.960 0.037 0.000 0.278 128 G HA3 0.491 4.473 3.960 0.037 0.000 0.278 128 G C -0.284 174.634 174.900 0.030 0.000 1.389 128 G CA -0.412 44.681 45.100 -0.013 0.000 1.050 128 G HN 0.789 nan 8.290 nan 0.000 0.522 129 K N -0.741 119.667 120.400 0.013 0.000 2.324 129 K HA 0.485 4.827 4.320 0.037 0.000 0.253 129 K C -0.810 175.820 176.600 0.051 0.000 0.932 129 K CA -0.558 55.762 56.287 0.055 0.000 0.799 129 K CB 1.546 34.084 32.500 0.062 0.000 1.154 129 K HN 0.526 nan 8.250 nan 0.000 0.425 130 S N 1.764 117.510 115.700 0.078 0.000 2.566 130 S HA 0.222 4.714 4.470 0.037 0.000 0.324 130 S C -0.555 174.108 174.600 0.104 0.000 1.081 130 S CA -0.691 57.546 58.200 0.062 0.000 1.105 130 S CB 1.248 64.462 63.200 0.023 0.000 0.981 130 S HN 0.477 nan 8.310 nan 0.000 0.464 131 T N 3.978 118.595 114.554 0.104 0.000 2.855 131 T HA 0.100 4.473 4.350 0.037 0.000 0.290 131 T C 0.271 175.079 174.700 0.180 0.000 0.941 131 T CA -0.019 62.158 62.100 0.127 0.000 1.030 131 T CB -0.713 68.218 68.868 0.105 0.000 0.935 131 T HN 0.811 nan 8.240 nan 0.000 0.564 132 H N 4.463 123.571 119.070 0.064 0.000 3.325 132 H HA 0.101 4.680 4.556 0.038 0.000 0.242 132 H C -0.055 175.289 175.328 0.026 0.000 1.117 132 H CA 0.043 56.122 56.048 0.051 0.000 1.470 132 H CB -0.026 29.767 29.762 0.050 0.000 1.573 132 H HN 0.364 nan 8.280 nan 0.000 0.501 133 K N 4.689 125.220 120.400 0.218 0.000 2.668 133 K HA 0.304 4.646 4.320 0.037 0.000 0.246 133 K C -0.045 176.475 176.600 -0.133 0.000 0.976 133 K CA 0.033 56.342 56.287 0.036 0.000 0.902 133 K CB 1.984 34.521 32.500 0.063 0.000 1.172 133 K HN 0.999 nan 8.250 nan 0.000 0.452 134 G N 2.042 110.733 108.800 -0.181 0.000 2.484 134 G HA2 -0.225 3.757 3.960 0.037 0.000 0.225 134 G HA3 -0.225 3.757 3.960 0.037 0.000 0.225 134 G C 0.082 174.807 174.900 -0.292 0.000 1.250 134 G CA -0.553 44.337 45.100 -0.349 0.000 0.926 134 G HN 0.528 nan 8.290 nan 0.000 0.581 135 E N 0.739 120.672 120.200 -0.446 0.000 2.445 135 E HA 0.264 4.636 4.350 0.037 0.000 0.189 135 E C 0.192 176.740 176.600 -0.087 0.000 1.069 135 E CA 0.981 57.270 56.400 -0.185 0.000 0.871 135 E CB -0.022 29.623 29.700 -0.091 0.000 0.991 135 E HN 0.533 nan 8.360 nan 0.000 0.481 136 Y N -3.541 116.793 120.300 0.056 0.000 2.689 136 Y HA 0.641 5.212 4.550 0.036 0.000 0.333 136 Y C -0.412 175.514 175.900 0.044 0.000 1.190 136 Y CA -1.785 56.331 58.100 0.026 0.000 1.063 136 Y CB 0.595 39.063 38.460 0.014 0.000 1.294 136 Y HN -0.369 nan 8.280 nan 0.000 0.466 137 S N 1.280 117.157 115.700 0.296 0.000 2.513 137 S HA 0.708 5.200 4.470 0.037 0.000 0.299 137 S C -1.108 173.586 174.600 0.156 0.000 1.087 137 S CA -0.833 57.483 58.200 0.193 0.000 1.012 137 S CB 1.101 64.329 63.200 0.046 0.000 1.044 137 S HN 0.572 nan 8.310 nan 0.000 0.485 138 L N 2.778 124.086 121.223 0.142 0.000 2.296 138 L HA 0.558 4.920 4.340 0.037 0.000 0.286 138 L C -0.833 176.058 176.870 0.036 0.000 1.023 138 L CA -0.875 54.007 54.840 0.070 0.000 0.812 138 L CB 1.388 43.499 42.059 0.087 0.000 1.223 138 L HN 0.319 nan 8.230 nan 0.000 0.421 139 V N 1.795 121.708 119.914 -0.001 0.000 2.394 139 V HA 0.257 4.399 4.120 0.037 0.000 0.282 139 V C -0.441 175.643 176.094 -0.016 0.000 1.031 139 V CA -0.420 61.871 62.300 -0.015 0.000 0.881 139 V CB 1.719 33.514 31.823 -0.046 0.000 0.982 139 V HN 0.645 nan 8.190 nan 0.000 0.451 140 D N 4.165 124.556 120.400 -0.015 0.000 2.408 140 D HA 0.415 5.077 4.640 0.037 0.000 0.243 140 D C 0.082 176.335 176.300 -0.078 0.000 1.075 140 D CA -0.374 53.605 54.000 -0.035 0.000 0.832 140 D CB 1.615 42.407 40.800 -0.013 0.000 1.162 140 D HN 0.415 nan 8.370 nan 0.000 0.515 141 L N 3.774 124.940 121.223 -0.095 0.000 2.848 141 L HA 0.258 4.620 4.340 0.037 0.000 0.240 141 L C 1.327 178.074 176.870 -0.204 0.000 1.232 141 L CA -0.297 54.470 54.840 -0.122 0.000 1.031 141 L CB -0.181 41.833 42.059 -0.076 0.000 1.338 141 L HN 0.326 nan 8.230 nan 0.000 0.509 142 N N 0.899 119.395 118.700 -0.340 0.000 2.270 142 N HA -0.136 4.626 4.740 0.037 0.000 0.181 142 N C 1.836 176.890 175.510 -0.760 0.000 1.016 142 N CA 0.942 53.666 53.050 -0.543 0.000 0.870 142 N CB 0.095 38.131 38.487 -0.752 0.000 0.979 142 N HN 0.389 nan 8.380 nan 0.000 0.431 143 R N 0.682 120.733 120.500 -0.748 0.000 2.210 143 R HA 0.044 4.406 4.340 0.037 0.000 0.203 143 R C 0.544 176.754 176.300 -0.150 0.000 1.010 143 R CA 0.014 55.849 56.100 -0.441 0.000 1.008 143 R CB 0.207 30.353 30.300 -0.258 0.000 0.923 143 R HN 0.048 nan 8.270 nan 0.000 0.469 144 Q N 0.606 120.324 119.800 -0.136 0.000 2.286 144 Q HA -0.016 4.346 4.340 0.037 0.000 0.290 144 Q C 0.413 176.395 176.000 -0.029 0.000 1.049 144 Q CA 1.708 57.479 55.803 -0.053 0.000 0.923 144 Q CB 0.844 29.547 28.738 -0.058 0.000 1.183 144 Q HN 0.571 nan 8.270 nan 0.000 0.383 145 G N 2.905 111.717 108.800 0.019 0.000 2.195 145 G HA2 -0.294 3.688 3.960 0.037 0.000 0.246 145 G HA3 -0.294 3.688 3.960 0.037 0.000 0.246 145 G C 0.264 175.168 174.900 0.007 0.000 0.984 145 G CA 0.519 45.641 45.100 0.037 0.000 0.633 145 G HN 0.915 nan 8.290 nan 0.000 0.525 146 T N 0.556 115.124 114.554 0.024 0.000 2.940 146 T HA 0.487 4.859 4.350 0.037 0.000 0.309 146 T C -2.193 172.527 174.700 0.033 0.000 1.056 146 T CA -0.786 61.339 62.100 0.041 0.000 1.137 146 T CB 1.490 70.419 68.868 0.102 0.000 0.976 146 T HN 0.155 nan 8.240 nan 0.000 0.547 147 P HA 0.357 nan 4.420 nan 0.000 0.268 147 P C -0.703 176.647 177.300 0.084 0.000 1.204 147 P CA -0.200 62.902 63.100 0.003 0.000 0.768 147 P CB 0.380 32.069 31.700 -0.017 0.000 0.842 148 L N 3.697 124.984 121.223 0.106 0.000 2.409 148 L HA 0.625 4.987 4.340 0.037 0.000 0.262 148 L C -0.039 176.902 176.870 0.118 0.000 0.992 148 L CA -1.109 53.817 54.840 0.143 0.000 0.817 148 L CB 2.082 44.268 42.059 0.212 0.000 1.350 148 L HN 0.309 nan 8.230 nan 0.000 0.411 149 I N -1.323 119.283 120.570 0.060 0.000 2.545 149 I HA 0.578 4.770 4.170 0.037 0.000 0.292 149 I C -0.802 175.199 176.117 -0.194 0.000 1.040 149 I CA -0.542 60.736 61.300 -0.036 0.000 1.068 149 I CB 2.253 40.245 38.000 -0.013 0.000 1.251 149 I HN 0.623 nan 8.210 nan 0.000 0.424 150 E N 6.405 126.331 120.200 -0.457 0.000 2.156 150 E HA 0.562 4.934 4.350 0.037 0.000 0.279 150 E C -1.332 174.980 176.600 -0.480 0.000 0.965 150 E CA -0.785 55.189 56.400 -0.710 0.000 0.789 150 E CB 1.729 30.801 29.700 -1.047 0.000 1.098 150 E HN 0.683 nan 8.360 nan 0.000 0.397 151 I N 5.111 125.502 120.570 -0.298 0.000 2.390 151 I HA 0.226 4.418 4.170 0.037 0.000 0.283 151 I C -0.814 175.258 176.117 -0.075 0.000 1.016 151 I CA -0.917 60.298 61.300 -0.142 0.000 1.151 151 I CB 1.575 39.535 38.000 -0.067 0.000 1.293 151 I HN 0.238 nan 8.210 nan 0.000 0.458 152 V N 5.236 125.113 119.914 -0.061 0.000 2.350 152 V HA 0.245 4.387 4.120 0.037 0.000 0.276 152 V C 0.627 176.717 176.094 -0.006 0.000 1.028 152 V CA -0.541 61.746 62.300 -0.023 0.000 0.860 152 V CB 1.356 33.170 31.823 -0.014 0.000 0.990 152 V HN 0.869 nan 8.190 nan 0.000 0.453 153 S N 3.297 118.982 115.700 -0.026 0.000 2.585 153 S HA 0.373 4.865 4.470 0.037 0.000 0.273 153 S C -0.146 174.394 174.600 -0.100 0.000 1.339 153 S CA -0.430 57.712 58.200 -0.097 0.000 1.028 153 S CB 1.363 64.320 63.200 -0.405 0.000 0.906 153 S HN 0.778 nan 8.310 nan 0.000 0.528 154 E N 1.675 121.823 120.200 -0.087 0.000 2.374 154 E HA 0.286 4.658 4.350 0.037 0.000 0.260 154 E C -2.169 174.369 176.600 -0.102 0.000 1.101 154 E CA -2.166 54.195 56.400 -0.066 0.000 0.907 154 E CB 0.433 30.110 29.700 -0.038 0.000 1.014 154 E HN 0.525 nan 8.360 nan 0.000 0.427 155 P HA 0.124 nan 4.420 nan 0.000 0.220 155 P C -0.927 176.321 177.300 -0.087 0.000 1.806 155 P CA 0.087 63.135 63.100 -0.086 0.000 0.976 155 P CB 0.226 31.892 31.700 -0.056 0.000 1.952 156 D N 0.222 120.559 120.400 -0.105 0.000 2.389 156 D HA 0.057 4.719 4.640 0.037 0.000 0.206 156 D C 1.192 177.439 176.300 -0.089 0.000 1.055 156 D CA 0.124 54.075 54.000 -0.083 0.000 0.856 156 D CB 0.368 41.130 40.800 -0.062 0.000 0.957 156 D HN 0.358 nan 8.370 nan 0.000 0.509 157 I N -0.833 119.660 120.570 -0.128 0.000 2.638 157 I HA 0.215 4.407 4.170 0.037 0.000 0.286 157 I C 0.770 176.839 176.117 -0.080 0.000 1.088 157 I CA -0.085 61.151 61.300 -0.106 0.000 1.397 157 I CB 1.082 38.988 38.000 -0.157 0.000 1.414 157 I HN -0.378 nan 8.210 nan 0.000 0.566 158 R N 3.914 124.383 120.500 -0.050 0.000 2.476 158 R HA 0.314 4.676 4.340 0.037 0.000 0.276 158 R C -0.519 175.767 176.300 -0.023 0.000 0.941 158 R CA 0.342 56.417 56.100 -0.042 0.000 1.088 158 R CB -0.461 29.823 30.300 -0.027 0.000 1.216 158 R HN 0.922 nan 8.270 nan 0.000 0.533 159 S N -1.389 114.299 115.700 -0.019 0.000 2.578 159 S HA 0.279 4.771 4.470 0.037 0.000 0.272 159 S C -2.622 171.972 174.600 -0.011 0.000 1.145 159 S CA -0.987 57.213 58.200 0.000 0.000 0.835 159 S CB 2.508 65.728 63.200 0.033 0.000 1.104 159 S HN -0.212 nan 8.310 nan 0.000 0.458 160 P HA -0.054 nan 4.420 nan 0.000 0.228 160 P C 0.540 177.827 177.300 -0.022 0.000 1.151 160 P CA 0.977 64.014 63.100 -0.104 0.000 0.770 160 P CB -0.033 31.471 31.700 -0.326 0.000 0.786 161 K N 0.761 121.185 120.400 0.039 0.000 2.021 161 K HA -0.065 4.277 4.320 0.037 0.000 0.205 161 K C 2.203 178.851 176.600 0.081 0.000 1.047 161 K CA 1.363 57.686 56.287 0.060 0.000 0.943 161 K CB -0.687 31.848 32.500 0.058 0.000 0.725 161 K HN 0.256 nan 8.250 nan 0.000 0.439 162 E N 0.646 120.880 120.200 0.057 0.000 2.047 162 E HA -0.105 4.267 4.350 0.037 0.000 0.191 162 E C 2.134 178.781 176.600 0.079 0.000 0.987 162 E CA 0.986 57.423 56.400 0.062 0.000 0.799 162 E CB -0.254 29.464 29.700 0.029 0.000 0.752 162 E HN 0.299 nan 8.360 nan 0.000 0.449 163 A N 1.296 124.139 122.820 0.039 0.000 1.948 163 A HA -0.252 4.090 4.320 0.037 0.000 0.220 163 A C 2.092 179.709 177.584 0.055 0.000 1.177 163 A CA 1.684 53.737 52.037 0.028 0.000 0.636 163 A CB -0.846 18.134 19.000 -0.033 0.000 0.815 163 A HN 0.432 nan 8.150 nan 0.000 0.449 164 Y N 0.410 120.670 120.300 -0.067 0.000 2.200 164 Y HA -0.000 4.572 4.550 0.037 0.000 0.290 164 Y C 2.561 178.373 175.900 -0.147 0.000 1.137 164 Y CA 1.112 59.142 58.100 -0.116 0.000 1.163 164 Y CB -0.497 37.916 38.460 -0.078 0.000 0.988 164 Y HN 0.292 nan 8.280 nan 0.000 0.518 165 A N -0.597 122.321 122.820 0.163 0.000 1.969 165 A HA -0.181 4.161 4.320 0.037 0.000 0.218 165 A C 2.098 179.650 177.584 -0.052 0.000 1.169 165 A CA 1.406 53.487 52.037 0.074 0.000 0.635 165 A CB -1.465 17.601 19.000 0.111 0.000 0.810 165 A HN 0.715 nan 8.150 nan 0.000 0.445 166 Y N 1.589 121.810 120.300 -0.131 0.000 2.070 166 Y HA -0.211 4.361 4.550 0.036 0.000 0.280 166 Y C 1.874 177.638 175.900 -0.226 0.000 1.148 166 Y CA 2.145 60.162 58.100 -0.139 0.000 1.125 166 Y CB -0.452 37.946 38.460 -0.103 0.000 0.975 166 Y HN 0.285 nan 8.280 nan 0.000 0.492 167 L N -0.166 120.857 121.223 -0.333 0.000 2.456 167 L HA 0.050 4.412 4.340 0.037 0.000 0.224 167 L C 1.762 178.126 176.870 -0.843 0.000 1.148 167 L CA 1.873 56.365 54.840 -0.580 0.000 0.825 167 L CB -1.375 40.380 42.059 -0.507 0.000 0.937 167 L HN 0.215 nan 8.230 nan 0.000 0.450 168 E N 0.963 120.705 120.200 -0.764 0.000 2.122 168 E HA -0.150 4.222 4.350 0.037 0.000 0.190 168 E C 2.095 178.524 176.600 -0.286 0.000 0.977 168 E CA 1.094 57.149 56.400 -0.574 0.000 0.820 168 E CB 0.022 29.455 29.700 -0.445 0.000 0.770 168 E HN 0.461 nan 8.360 nan 0.000 0.462 169 K N -0.111 120.118 120.400 -0.284 0.000 2.031 169 K HA -0.013 4.329 4.320 0.037 0.000 0.205 169 K C 2.045 178.491 176.600 -0.256 0.000 1.049 169 K CA 1.049 57.203 56.287 -0.222 0.000 0.939 169 K CB -0.636 31.742 32.500 -0.203 0.000 0.717 169 K HN 0.210 nan 8.250 nan 0.000 0.438 170 L N 1.441 122.435 121.223 -0.381 0.000 1.990 170 L HA -0.177 4.185 4.340 0.037 0.000 0.213 170 L C 2.334 179.102 176.870 -0.169 0.000 1.072 170 L CA 1.857 56.489 54.840 -0.346 0.000 0.755 170 L CB -0.760 40.990 42.059 -0.515 0.000 0.889 170 L HN 0.209 nan 8.230 nan 0.000 0.432 171 R N -0.643 119.797 120.500 -0.100 0.000 2.096 171 R HA -0.180 4.182 4.340 0.037 0.000 0.240 171 R C 2.435 178.749 176.300 0.023 0.000 1.139 171 R CA 1.915 58.046 56.100 0.053 0.000 0.952 171 R CB -0.956 29.508 30.300 0.274 0.000 0.854 171 R HN 0.573 nan 8.270 nan 0.000 0.436 172 S N 0.198 115.888 115.700 -0.017 0.000 2.356 172 S HA -0.064 4.428 4.470 0.037 0.000 0.223 172 S C 2.165 176.767 174.600 0.004 0.000 1.032 172 S CA 1.257 59.461 58.200 0.007 0.000 1.005 172 S CB -0.153 63.004 63.200 -0.071 0.000 0.867 172 S HN 0.380 nan 8.310 nan 0.000 0.449 173 I N 0.738 121.248 120.570 -0.100 0.000 2.226 173 I HA -0.157 4.035 4.170 0.037 0.000 0.245 173 I C 1.973 178.077 176.117 -0.023 0.000 1.100 173 I CA 0.927 62.161 61.300 -0.111 0.000 1.374 173 I CB -0.324 37.581 38.000 -0.159 0.000 1.057 173 I HN 0.299 nan 8.210 nan 0.000 0.413 174 I N 0.296 120.845 120.570 -0.035 0.000 2.394 174 I HA -0.263 3.929 4.170 0.037 0.000 0.251 174 I C 2.529 178.634 176.117 -0.019 0.000 1.136 174 I CA 1.353 62.632 61.300 -0.036 0.000 1.425 174 I CB -0.744 37.233 38.000 -0.037 0.000 1.079 174 I HN 0.288 nan 8.210 nan 0.000 0.425 175 Q N -0.281 119.540 119.800 0.034 0.000 2.119 175 Q HA -0.223 4.139 4.340 0.037 0.000 0.201 175 Q C 2.218 178.222 176.000 0.007 0.000 0.972 175 Q CA 1.754 57.569 55.803 0.020 0.000 0.847 175 Q CB -0.207 28.567 28.738 0.060 0.000 0.903 175 Q HN 0.482 nan 8.270 nan 0.000 0.433 176 Y N 0.522 120.764 120.300 -0.095 0.000 2.314 176 Y HA -0.131 4.441 4.550 0.036 0.000 0.293 176 Y C 2.635 178.463 175.900 -0.120 0.000 1.129 176 Y CA 1.794 59.839 58.100 -0.092 0.000 1.201 176 Y CB -0.492 37.920 38.460 -0.080 0.000 0.999 176 Y HN 0.312 nan 8.280 nan 0.000 0.541 177 T N -3.930 110.618 114.554 -0.010 0.000 3.007 177 T HA 0.087 4.459 4.350 0.037 0.000 0.270 177 T C 1.979 176.512 174.700 -0.278 0.000 1.107 177 T CA 0.911 62.935 62.100 -0.126 0.000 1.118 177 T CB -0.662 68.119 68.868 -0.145 0.000 0.889 177 T HN 0.495 nan 8.240 nan 0.000 0.506 178 G N 0.606 109.240 108.800 -0.277 0.000 2.162 178 G HA2 -0.336 3.646 3.960 0.037 0.000 0.260 178 G HA3 -0.336 3.646 3.960 0.037 0.000 0.260 178 G C 0.972 175.453 174.900 -0.698 0.000 0.976 178 G CA 0.740 45.610 45.100 -0.384 0.000 0.655 178 G HN 1.425 nan 8.290 nan 0.000 0.533 179 V N -3.011 116.484 119.914 -0.698 0.000 3.129 179 V HA 0.594 4.736 4.120 0.037 0.000 0.259 179 V C 0.908 176.869 176.094 -0.221 0.000 1.116 179 V CA 1.591 63.401 62.300 -0.816 0.000 1.127 179 V CB 0.517 32.116 31.823 -0.373 0.000 0.742 179 V HN 1.379 nan 8.190 nan 0.000 0.474 180 S N -1.267 114.344 115.700 -0.149 0.000 2.587 180 S HA 0.400 4.892 4.470 0.037 0.000 0.269 180 S C -0.412 174.163 174.600 -0.041 0.000 1.154 180 S CA -0.161 58.025 58.200 -0.023 0.000 0.824 180 S CB 1.905 65.117 63.200 0.020 0.000 1.118 180 S HN 0.287 nan 8.310 nan 0.000 0.462 181 D N 1.049 121.437 120.400 -0.019 0.000 2.333 181 D HA 0.052 4.714 4.640 0.037 0.000 0.208 181 D C 1.132 177.414 176.300 -0.031 0.000 0.984 181 D CA 1.404 55.384 54.000 -0.033 0.000 0.873 181 D CB -0.065 40.713 40.800 -0.038 0.000 0.935 181 D HN 1.110 nan 8.370 nan 0.000 0.521 182 V N -0.565 119.338 119.914 -0.019 0.000 5.482 182 V HA -0.313 3.829 4.120 0.037 0.000 0.262 182 V C -0.323 175.726 176.094 -0.076 0.000 0.664 182 V CA 0.691 62.978 62.300 -0.022 0.000 0.609 182 V CB -2.530 29.298 31.823 0.008 0.000 0.306 182 V HN 0.140 nan 8.190 nan 0.000 0.731 183 K N 1.186 121.529 120.400 -0.096 0.000 2.316 183 K HA 0.615 4.957 4.320 0.037 0.000 0.267 183 K C 1.113 177.605 176.600 -0.180 0.000 1.025 183 K CA -0.525 55.669 56.287 -0.155 0.000 0.896 183 K CB 1.494 33.929 32.500 -0.108 0.000 1.124 183 K HN 0.380 nan 8.250 nan 0.000 0.451 184 M N 1.628 121.045 119.600 -0.306 0.000 2.195 184 M HA -0.260 4.242 4.480 0.037 0.000 0.260 184 M C 1.795 178.000 176.300 -0.159 0.000 1.066 184 M CA 1.883 57.034 55.300 -0.247 0.000 1.089 184 M CB -0.416 31.961 32.600 -0.371 0.000 1.377 184 M HN 0.645 nan 8.290 nan 0.000 0.411 185 E N 0.866 120.966 120.200 -0.168 0.000 2.070 185 E HA -0.233 4.139 4.350 0.037 0.000 0.197 185 E C 1.102 177.649 176.600 -0.087 0.000 1.004 185 E CA 1.579 57.905 56.400 -0.123 0.000 0.805 185 E CB -0.535 29.096 29.700 -0.115 0.000 0.744 185 E HN 0.625 nan 8.360 nan 0.000 0.451 186 E N 0.039 120.190 120.200 -0.081 0.000 2.479 186 E HA 0.130 4.502 4.350 0.037 0.000 0.193 186 E C 1.007 177.587 176.600 -0.033 0.000 1.049 186 E CA 0.221 56.586 56.400 -0.058 0.000 0.870 186 E CB 0.641 30.302 29.700 -0.064 0.000 0.944 186 E HN 0.551 nan 8.360 nan 0.000 0.492 187 G N 1.831 110.611 108.800 -0.033 0.000 2.253 187 G HA2 -0.392 3.590 3.960 0.037 0.000 0.251 187 G HA3 -0.392 3.590 3.960 0.037 0.000 0.251 187 G C 1.221 176.130 174.900 0.014 0.000 0.998 187 G CA 0.616 45.716 45.100 -0.000 0.000 0.621 187 G HN 0.416 nan 8.290 nan 0.000 0.524 188 S N -0.506 115.195 115.700 0.001 0.000 2.653 188 S HA 0.473 4.965 4.470 0.037 0.000 0.233 188 S C 0.638 175.250 174.600 0.020 0.000 0.970 188 S CA 1.081 59.294 58.200 0.021 0.000 0.947 188 S CB 0.437 63.641 63.200 0.006 0.000 0.771 188 S HN 1.223 nan 8.310 nan 0.000 0.538 189 L N 1.342 122.564 121.223 -0.001 0.000 2.543 189 L HA 0.596 4.958 4.340 0.037 0.000 0.265 189 L C -1.295 175.586 176.870 0.018 0.000 0.945 189 L CA -0.321 54.523 54.840 0.008 0.000 0.869 189 L CB 2.063 44.086 42.059 -0.060 0.000 1.294 189 L HN 0.239 nan 8.230 nan 0.000 0.405 190 R N 3.250 123.800 120.500 0.084 0.000 2.808 190 R HA 0.816 5.178 4.340 0.037 0.000 0.272 190 R C -1.406 174.982 176.300 0.147 0.000 0.995 190 R CA -0.617 55.541 56.100 0.097 0.000 0.917 190 R CB 2.368 32.721 30.300 0.089 0.000 1.217 190 R HN 0.647 nan 8.270 nan 0.000 0.471 191 C N 0.963 120.345 119.300 0.135 0.000 2.782 191 C HA 0.557 5.039 4.460 0.037 0.000 0.328 191 C C -1.720 173.337 174.990 0.111 0.000 1.145 191 C CA -0.444 58.660 59.018 0.145 0.000 1.358 191 C CB 1.521 29.358 27.740 0.162 0.000 1.841 191 C HN 0.857 nan 8.230 nan 0.000 0.477 192 D N 2.792 123.255 120.400 0.106 0.000 2.646 192 D HA 0.724 5.386 4.640 0.037 0.000 0.245 192 D C -0.309 176.020 176.300 0.048 0.000 1.099 192 D CA 0.188 54.233 54.000 0.076 0.000 0.849 192 D CB 2.086 42.941 40.800 0.093 0.000 1.448 192 D HN 0.932 nan 8.370 nan 0.000 0.489 193 A N 2.136 124.968 122.820 0.019 0.000 2.269 193 A HA 0.764 5.106 4.320 0.037 0.000 0.327 193 A C -0.494 177.085 177.584 -0.008 0.000 1.112 193 A CA -0.648 51.383 52.037 -0.010 0.000 0.865 193 A CB 0.736 19.713 19.000 -0.039 0.000 1.227 193 A HN 0.639 nan 8.150 nan 0.000 0.498 194 N N -0.553 118.131 118.700 -0.027 0.000 2.629 194 N HA 0.424 5.186 4.740 0.037 0.000 0.277 194 N C -1.631 173.851 175.510 -0.045 0.000 1.188 194 N CA -0.336 52.700 53.050 -0.024 0.000 0.835 194 N CB 1.030 39.510 38.487 -0.012 0.000 1.420 194 N HN 0.693 nan 8.380 nan 0.000 0.542 195 I N 2.372 122.913 120.570 -0.047 0.000 2.569 195 I HA 0.821 5.013 4.170 0.037 0.000 0.296 195 I C -1.199 174.876 176.117 -0.070 0.000 1.028 195 I CA -0.314 60.950 61.300 -0.059 0.000 1.082 195 I CB 2.105 40.072 38.000 -0.055 0.000 1.264 195 I HN 0.659 nan 8.210 nan 0.000 0.429 196 S N 7.847 123.496 115.700 -0.084 0.000 2.603 196 S HA 0.639 5.131 4.470 0.037 0.000 0.274 196 S C -1.428 173.110 174.600 -0.104 0.000 1.168 196 S CA -0.912 57.221 58.200 -0.111 0.000 0.963 196 S CB 1.007 64.114 63.200 -0.155 0.000 1.078 196 S HN 0.611 nan 8.310 nan 0.000 0.477 197 L N 3.532 124.699 121.223 -0.093 0.000 2.360 197 L HA 0.801 5.163 4.340 0.037 0.000 0.271 197 L C 0.340 177.160 176.870 -0.084 0.000 1.057 197 L CA -0.103 54.690 54.840 -0.079 0.000 0.803 197 L CB 1.359 43.391 42.059 -0.046 0.000 1.207 197 L HN 1.089 nan 8.230 nan 0.000 0.445 198 R N 2.335 122.787 120.500 -0.079 0.000 3.964 198 R HA 0.232 4.594 4.340 0.037 0.000 0.244 198 R C -3.242 173.023 176.300 -0.058 0.000 1.004 198 R CA -0.969 55.096 56.100 -0.058 0.000 1.148 198 R CB 0.259 30.521 30.300 -0.063 0.000 1.234 198 R HN 0.292 nan 8.270 nan 0.000 0.567 199 P HA -0.026 nan 4.420 nan 0.000 0.266 199 P C -0.645 176.707 177.300 0.086 0.000 1.180 199 P CA 0.278 63.441 63.100 0.105 0.000 0.765 199 P CB 0.036 31.794 31.700 0.095 0.000 0.806 200 Y N 1.160 121.461 120.300 0.002 0.000 2.620 200 Y HA 0.320 4.892 4.550 0.038 0.000 0.330 200 Y C 1.841 177.744 175.900 0.005 0.000 1.186 200 Y CA 1.197 59.298 58.100 0.002 0.000 1.467 200 Y CB -0.536 37.924 38.460 -0.000 0.000 1.262 200 Y HN 0.725 nan 8.280 nan 0.000 0.550 201 G N 2.375 111.242 108.800 0.112 0.000 2.325 201 G HA2 -0.183 3.799 3.960 0.037 0.000 0.248 201 G HA3 -0.183 3.799 3.960 0.037 0.000 0.248 201 G C -0.425 174.504 174.900 0.048 0.000 1.108 201 G CA -0.241 44.904 45.100 0.075 0.000 0.881 201 G HN 0.597 nan 8.290 nan 0.000 0.494 202 Q N -1.507 118.311 119.800 0.030 0.000 2.962 202 Q HA 0.544 4.906 4.340 0.037 0.000 0.282 202 Q C 1.217 177.237 176.000 0.034 0.000 1.058 202 Q CA -0.372 55.451 55.803 0.033 0.000 0.854 202 Q CB 1.028 29.785 28.738 0.031 0.000 1.441 202 Q HN 0.164 nan 8.270 nan 0.000 0.497 203 E N 0.679 120.910 120.200 0.052 0.000 2.418 203 E HA -0.115 4.257 4.350 0.037 0.000 0.197 203 E C -0.443 176.204 176.600 0.078 0.000 1.026 203 E CA 1.226 57.661 56.400 0.058 0.000 0.862 203 E CB -0.090 29.653 29.700 0.071 0.000 0.799 203 E HN 0.595 nan 8.360 nan 0.000 0.518 204 K N -1.298 119.141 120.400 0.066 0.000 3.341 204 K HA -0.238 4.104 4.320 0.037 0.000 0.305 204 K C -0.451 176.199 176.600 0.083 0.000 1.270 204 K CA 0.676 56.984 56.287 0.036 0.000 0.897 204 K CB -2.504 29.998 32.500 0.003 0.000 1.264 204 K HN 0.242 nan 8.250 nan 0.000 0.468 205 F N 1.680 121.616 119.950 -0.023 0.000 2.652 205 F HA 0.327 4.876 4.527 0.035 0.000 0.352 205 F C 1.132 176.923 175.800 -0.015 0.000 1.259 205 F CA -0.651 57.339 58.000 -0.017 0.000 1.249 205 F CB 0.237 39.231 39.000 -0.009 0.000 1.628 205 F HN 0.090 nan 8.300 nan 0.000 0.654 206 G N 2.804 111.404 108.800 -0.333 0.000 3.782 206 G HA2 0.266 4.248 3.960 0.037 0.000 0.288 206 G HA3 0.266 4.248 3.960 0.037 0.000 0.288 206 G C 0.653 175.263 174.900 -0.484 0.000 1.300 206 G CA 0.541 45.444 45.100 -0.330 0.000 1.261 206 G HN 0.759 nan 8.290 nan 0.000 0.591 207 T N -0.463 113.483 114.554 -1.013 0.000 1.611 207 T HA -0.255 4.117 4.350 0.037 0.000 0.771 207 T C 0.382 174.846 174.700 -0.394 0.000 0.998 207 T CA 1.363 62.955 62.100 -0.847 0.000 4.060 207 T CB -0.591 68.020 68.868 -0.428 0.000 2.308 207 T HN 0.556 nan 8.240 nan 0.000 0.396 208 K N -0.618 119.662 120.400 -0.201 0.000 2.499 208 K HA 0.707 5.049 4.320 0.037 0.000 0.277 208 K C -1.198 175.364 176.600 -0.062 0.000 1.025 208 K CA -0.276 55.951 56.287 -0.099 0.000 0.900 208 K CB 2.070 34.549 32.500 -0.035 0.000 1.494 208 K HN 0.797 nan 8.250 nan 0.000 0.442 209 A N 1.555 124.354 122.820 -0.036 0.000 3.339 209 A HA 0.144 4.486 4.320 0.037 0.000 0.219 209 A C -0.815 176.768 177.584 -0.001 0.000 0.974 209 A CA -0.403 51.623 52.037 -0.019 0.000 1.050 209 A CB 0.274 19.259 19.000 -0.026 0.000 1.271 209 A HN 0.500 nan 8.150 nan 0.000 0.565 210 E N 1.557 121.764 120.200 0.010 0.000 2.558 210 E HA 0.040 4.412 4.350 0.037 0.000 0.235 210 E C -0.252 176.365 176.600 0.029 0.000 1.217 210 E CA 0.526 56.941 56.400 0.024 0.000 0.955 210 E CB -0.350 29.373 29.700 0.038 0.000 1.027 210 E HN 0.637 nan 8.360 nan 0.000 0.491 211 L N 1.281 122.520 121.223 0.026 0.000 2.325 211 L HA 0.489 4.851 4.340 0.037 0.000 0.279 211 L C 0.280 177.180 176.870 0.050 0.000 1.054 211 L CA -0.544 54.321 54.840 0.041 0.000 0.804 211 L CB 0.925 43.002 42.059 0.031 0.000 1.200 211 L HN -0.102 nan 8.230 nan 0.000 0.436 212 K N 1.359 121.803 120.400 0.074 0.000 2.380 212 K HA 0.415 4.757 4.320 0.037 0.000 0.243 212 K C 0.158 176.831 176.600 0.123 0.000 1.071 212 K CA -0.903 55.431 56.287 0.079 0.000 0.942 212 K CB 0.563 33.101 32.500 0.063 0.000 1.324 212 K HN 0.727 nan 8.250 nan 0.000 0.517 213 N N -0.775 117.995 118.700 0.117 0.000 2.828 213 N HA -0.173 4.589 4.740 0.037 0.000 0.248 213 N C -1.373 174.254 175.510 0.195 0.000 1.044 213 N CA 0.326 53.471 53.050 0.158 0.000 0.851 213 N CB -1.179 37.424 38.487 0.193 0.000 1.136 213 N HN 0.356 nan 8.380 nan 0.000 0.572 214 L N 1.258 122.559 121.223 0.130 0.000 2.369 214 L HA 0.255 4.617 4.340 0.037 0.000 0.279 214 L C 1.433 178.380 176.870 0.128 0.000 1.108 214 L CA 0.665 55.565 54.840 0.100 0.000 0.852 214 L CB 0.399 42.477 42.059 0.031 0.000 1.169 214 L HN 0.211 nan 8.230 nan 0.000 0.452 215 N N 0.274 119.080 118.700 0.177 0.000 2.250 215 N HA 0.166 4.928 4.740 0.037 0.000 0.190 215 N C -0.411 175.147 175.510 0.081 0.000 1.116 215 N CA -0.074 53.051 53.050 0.126 0.000 0.881 215 N CB 0.590 39.151 38.487 0.122 0.000 1.006 215 N HN 0.527 nan 8.380 nan 0.000 0.491 216 S N -0.483 115.313 115.700 0.160 0.000 2.542 216 S HA 0.235 4.727 4.470 0.037 0.000 0.276 216 S C -0.064 174.694 174.600 0.263 0.000 1.148 216 S CA -0.722 57.537 58.200 0.098 0.000 0.886 216 S CB 0.981 64.215 63.200 0.057 0.000 1.109 216 S HN -0.058 nan 8.310 nan 0.000 0.458 217 F N 3.226 123.214 119.950 0.062 0.000 2.048 217 F HA -0.195 4.354 4.527 0.036 0.000 0.300 217 F C 2.725 178.649 175.800 0.206 0.000 1.221 217 F CA 2.266 60.265 58.000 -0.002 0.000 1.214 217 F CB -1.518 37.381 39.000 -0.168 0.000 0.941 217 F HN 0.815 nan 8.300 nan 0.000 0.531 218 N N -0.903 118.142 118.700 0.576 0.000 2.133 218 N HA -0.270 4.492 4.740 0.037 0.000 0.193 218 N C 1.145 176.880 175.510 0.376 0.000 1.012 218 N CA 1.160 54.536 53.050 0.544 0.000 0.871 218 N CB -0.664 38.067 38.487 0.405 0.000 1.011 218 N HN 0.264 nan 8.380 nan 0.000 0.435 219 Y N 0.609 121.032 120.300 0.205 0.000 2.701 219 Y HA -0.053 4.519 4.550 0.036 0.000 0.479 219 Y C 2.311 178.283 175.900 0.120 0.000 1.395 219 Y CA 0.472 58.661 58.100 0.149 0.000 2.112 219 Y CB -0.631 37.900 38.460 0.118 0.000 1.802 219 Y HN -0.025 nan 8.280 nan 0.000 0.674 220 V N 0.927 120.814 119.914 -0.044 0.000 2.232 220 V HA -0.431 3.711 4.120 0.037 0.000 0.254 220 V C 2.082 177.994 176.094 -0.303 0.000 1.058 220 V CA 3.296 65.520 62.300 -0.126 0.000 1.048 220 V CB -1.471 30.432 31.823 0.133 0.000 0.668 220 V HN 0.862 nan 8.190 nan 0.000 0.462 221 R N 2.326 122.723 120.500 -0.171 0.000 2.244 221 R HA -0.243 4.119 4.340 0.037 0.000 0.252 221 R C 1.881 178.064 176.300 -0.194 0.000 1.177 221 R CA 2.476 58.463 56.100 -0.189 0.000 1.004 221 R CB -1.054 29.232 30.300 -0.023 0.000 0.873 221 R HN 0.681 nan 8.270 nan 0.000 0.469 222 K N -0.123 120.207 120.400 -0.116 0.000 2.432 222 K HA 0.099 4.441 4.320 0.037 0.000 0.196 222 K C 1.496 177.801 176.600 -0.492 0.000 1.038 222 K CA 1.390 57.598 56.287 -0.132 0.000 0.986 222 K CB -0.222 32.354 32.500 0.126 0.000 0.782 222 K HN 0.367 nan 8.250 nan 0.000 0.485 223 G N -0.277 108.261 108.800 -0.436 0.000 3.079 223 G HA2 0.048 4.030 3.960 0.037 0.000 0.233 223 G HA3 0.048 4.030 3.960 0.037 0.000 0.233 223 G C 0.942 175.622 174.900 -0.368 0.000 1.062 223 G CA -0.327 44.538 45.100 -0.392 0.000 0.809 223 G HN 0.109 nan 8.290 nan 0.000 0.535 224 L N 1.137 122.039 121.223 -0.535 0.000 1.944 224 L HA -0.080 4.282 4.340 0.037 0.000 0.218 224 L C 2.737 179.480 176.870 -0.211 0.000 1.075 224 L CA 2.058 56.619 54.840 -0.464 0.000 0.767 224 L CB -0.868 40.918 42.059 -0.456 0.000 0.890 224 L HN 0.171 nan 8.230 nan 0.000 0.434 225 E N -0.740 119.316 120.200 -0.241 0.000 2.114 225 E HA -0.258 4.114 4.350 0.037 0.000 0.199 225 E C 1.973 178.569 176.600 -0.007 0.000 1.008 225 E CA 1.312 57.632 56.400 -0.133 0.000 0.810 225 E CB -0.588 29.015 29.700 -0.162 0.000 0.739 225 E HN 0.418 nan 8.360 nan 0.000 0.456 226 Y N 0.639 120.921 120.300 -0.031 0.000 2.139 226 Y HA -0.251 4.321 4.550 0.037 0.000 0.282 226 Y C 2.452 178.354 175.900 0.003 0.000 1.179 226 Y CA 1.625 59.717 58.100 -0.013 0.000 1.161 226 Y CB -1.016 37.438 38.460 -0.011 0.000 0.970 226 Y HN 0.230 nan 8.280 nan 0.000 0.511 227 E N -0.019 120.289 120.200 0.179 0.000 2.033 227 E HA -0.128 4.244 4.350 0.037 0.000 0.189 227 E C 2.030 178.680 176.600 0.083 0.000 0.979 227 E CA 1.409 57.887 56.400 0.130 0.000 0.802 227 E CB -0.292 29.506 29.700 0.163 0.000 0.763 227 E HN 0.237 nan 8.360 nan 0.000 0.449 228 E N 0.803 121.036 120.200 0.056 0.000 2.077 228 E HA -0.166 4.206 4.350 0.037 0.000 0.193 228 E C 2.001 178.615 176.600 0.023 0.000 0.989 228 E CA 0.993 57.413 56.400 0.034 0.000 0.800 228 E CB -0.078 29.629 29.700 0.012 0.000 0.746 228 E HN 0.302 nan 8.360 nan 0.000 0.452 229 K N 0.460 120.875 120.400 0.025 0.000 1.991 229 K HA -0.218 4.124 4.320 0.037 0.000 0.212 229 K C 2.210 178.828 176.600 0.030 0.000 1.049 229 K CA 1.519 57.819 56.287 0.022 0.000 0.932 229 K CB -0.263 32.258 32.500 0.035 0.000 0.717 229 K HN -0.088 nan 8.250 nan 0.000 0.441 230 R N 1.648 122.176 120.500 0.047 0.000 2.168 230 R HA -0.249 4.113 4.340 0.037 0.000 0.242 230 R C 2.178 178.496 176.300 0.031 0.000 1.123 230 R CA 2.219 58.344 56.100 0.043 0.000 0.928 230 R CB -0.776 29.558 30.300 0.057 0.000 0.873 230 R HN 0.211 nan 8.270 nan 0.000 0.434 231 Q N 0.093 119.913 119.800 0.033 0.000 2.020 231 Q HA -0.176 4.186 4.340 0.037 0.000 0.202 231 Q C 2.185 178.193 176.000 0.014 0.000 0.982 231 Q CA 1.968 57.786 55.803 0.025 0.000 0.838 231 Q CB -0.531 28.224 28.738 0.029 0.000 0.899 231 Q HN 0.517 nan 8.270 nan 0.000 0.423 232 E N 0.569 120.775 120.200 0.009 0.000 2.187 232 E HA -0.197 4.175 4.350 0.037 0.000 0.199 232 E C 1.785 178.384 176.600 -0.001 0.000 1.004 232 E CA 1.174 57.571 56.400 -0.004 0.000 0.813 232 E CB 0.183 29.874 29.700 -0.014 0.000 0.736 232 E HN 0.245 nan 8.360 nan 0.000 0.468 233 E N -0.203 120.002 120.200 0.008 0.000 2.042 233 E HA -0.127 4.245 4.350 0.037 0.000 0.189 233 E C 1.942 178.549 176.600 0.011 0.000 0.974 233 E CA 1.187 57.594 56.400 0.012 0.000 0.806 233 E CB -0.286 29.425 29.700 0.019 0.000 0.769 233 E HN 0.433 nan 8.360 nan 0.000 0.451 234 E N 0.918 121.126 120.200 0.013 0.000 2.396 234 E HA -0.141 4.231 4.350 0.037 0.000 0.200 234 E C 1.546 178.152 176.600 0.009 0.000 1.023 234 E CA 0.757 57.164 56.400 0.012 0.000 0.857 234 E CB -0.158 29.550 29.700 0.013 0.000 0.775 234 E HN 0.079 nan 8.360 nan 0.000 0.525 235 L N 0.298 121.526 121.223 0.008 0.000 2.640 235 L HA 0.341 4.703 4.340 0.037 0.000 0.230 235 L C 1.378 178.250 176.870 0.003 0.000 1.123 235 L CA 0.324 55.167 54.840 0.005 0.000 0.900 235 L CB -0.262 41.799 42.059 0.004 0.000 1.146 235 L HN 0.345 nan 8.230 nan 0.000 0.484 236 L N 0.551 121.776 121.223 0.004 0.000 2.465 236 L HA -0.054 4.308 4.340 0.037 0.000 0.224 236 L C 1.306 178.180 176.870 0.007 0.000 1.145 236 L CA 0.539 55.381 54.840 0.003 0.000 0.834 236 L CB -0.087 41.976 42.059 0.006 0.000 0.944 236 L HN 0.489 nan 8.230 nan 0.000 0.451 237 N N -1.455 117.249 118.700 0.008 0.000 2.843 237 N HA 0.138 4.900 4.740 0.037 0.000 0.284 237 N C 0.751 176.266 175.510 0.008 0.000 1.274 237 N CA 0.410 53.465 53.050 0.008 0.000 1.045 237 N CB 0.509 39.001 38.487 0.008 0.000 1.370 237 N HN 0.233 nan 8.380 nan 0.000 0.525 238 G N -0.486 108.318 108.800 0.007 0.000 4.094 238 G HA2 0.237 4.219 3.960 0.037 0.000 0.177 238 G HA3 0.237 4.219 3.960 0.037 0.000 0.177 238 G C 0.528 175.433 174.900 0.008 0.000 1.135 238 G CA 0.017 45.122 45.100 0.008 0.000 0.922 238 G HN 0.642 nan 8.290 nan 0.000 0.533 239 G N 0.876 109.680 108.800 0.006 0.000 2.325 239 G HA2 0.063 4.045 3.960 0.037 0.000 0.248 239 G HA3 0.063 4.045 3.960 0.037 0.000 0.248 239 G C 0.023 174.926 174.900 0.004 0.000 1.108 239 G CA 0.839 45.943 45.100 0.005 0.000 0.881 239 G HN 1.031 nan 8.290 nan 0.000 0.494 240 E N -0.577 119.623 120.200 -0.000 0.000 2.609 240 E HA -0.015 4.357 4.350 0.037 0.000 0.278 240 E C 1.567 178.168 176.600 0.001 0.000 1.115 240 E CA 0.550 56.950 56.400 -0.000 0.000 1.039 240 E CB 0.057 29.754 29.700 -0.005 0.000 1.049 240 E HN 0.546 nan 8.360 nan 0.000 0.466 241 I N 2.812 123.385 120.570 0.004 0.000 3.493 241 I HA -0.022 4.170 4.170 0.037 0.000 0.311 241 I C 1.787 177.906 176.117 0.003 0.000 1.210 241 I CA 0.874 62.179 61.300 0.008 0.000 1.210 241 I CB -1.242 36.764 38.000 0.010 0.000 0.993 241 I HN 0.834 nan 8.210 nan 0.000 0.539 242 G N -0.155 108.639 108.800 -0.010 0.000 2.693 242 G HA2 -0.379 3.603 3.960 0.037 0.000 0.240 242 G HA3 -0.379 3.603 3.960 0.037 0.000 0.240 242 G C 0.507 175.391 174.900 -0.027 0.000 1.102 242 G CA 0.643 45.723 45.100 -0.033 0.000 0.694 242 G HN 0.439 nan 8.290 nan 0.000 0.531 243 Q N -2.226 117.569 119.800 -0.008 0.000 0.299 243 Q HA -0.148 4.214 4.340 0.037 0.000 0.287 243 Q C 0.460 176.458 176.000 -0.003 0.000 1.090 243 Q CA 1.948 57.750 55.803 -0.001 0.000 0.220 243 Q CB -1.168 27.569 28.738 -0.002 0.000 5.642 243 Q HN 0.749 nan 8.270 nan 0.000 0.295 244 E N -0.947 119.256 120.200 0.005 0.000 3.777 244 E HA 0.117 4.489 4.350 0.037 0.000 0.247 244 E C -0.658 175.950 176.600 0.014 0.000 1.256 244 E CA 1.105 57.510 56.400 0.008 0.000 1.786 244 E CB 0.731 30.442 29.700 0.018 0.000 1.722 244 E HN 0.705 nan 8.360 nan 0.000 0.810 245 T N 0.592 115.158 114.554 0.019 0.000 2.879 245 T HA 0.771 5.143 4.350 0.037 0.000 0.290 245 T C -1.069 173.649 174.700 0.030 0.000 0.993 245 T CA -1.050 61.065 62.100 0.025 0.000 0.975 245 T CB 1.421 70.305 68.868 0.026 0.000 0.981 245 T HN 0.016 nan 8.240 nan 0.000 0.439 246 R N 2.105 122.628 120.500 0.039 0.000 2.621 246 R HA 0.625 4.987 4.340 0.037 0.000 0.284 246 R C -0.383 175.964 176.300 0.078 0.000 0.998 246 R CA -1.032 55.100 56.100 0.052 0.000 0.895 246 R CB 1.479 31.812 30.300 0.054 0.000 1.195 246 R HN 0.939 nan 8.270 nan 0.000 0.450 247 R N 0.897 121.446 120.500 0.082 0.000 2.577 247 R HA 0.427 4.789 4.340 0.037 0.000 0.269 247 R C -1.032 175.373 176.300 0.176 0.000 1.084 247 R CA -0.269 55.899 56.100 0.112 0.000 1.163 247 R CB 0.512 30.858 30.300 0.078 0.000 1.100 247 R HN 0.533 nan 8.270 nan 0.000 0.547 248 F N 1.999 121.968 119.950 0.031 0.000 2.436 248 F HA 0.319 4.867 4.527 0.036 0.000 0.340 248 F C -0.725 175.097 175.800 0.038 0.000 1.113 248 F CA -1.129 56.890 58.000 0.032 0.000 1.022 248 F CB 1.376 40.397 39.000 0.034 0.000 1.128 248 F HN 0.631 nan 8.300 nan 0.000 0.466 249 D N 5.256 125.262 120.400 -0.658 0.000 2.274 249 D HA 0.094 4.756 4.640 0.037 0.000 0.239 249 D C 0.595 176.335 176.300 -0.932 0.000 1.104 249 D CA 0.090 53.771 54.000 -0.532 0.000 0.840 249 D CB 1.396 42.006 40.800 -0.316 0.000 1.100 249 D HN 0.871 nan 8.370 nan 0.000 0.477 250 E N 1.967 121.876 120.200 -0.484 0.000 1.984 250 E HA -0.173 4.199 4.350 0.037 0.000 0.203 250 E C 1.615 178.094 176.600 -0.202 0.000 0.998 250 E CA 1.254 57.488 56.400 -0.276 0.000 0.865 250 E CB 0.124 29.851 29.700 0.045 0.000 0.806 250 E HN 0.408 nan 8.360 nan 0.000 0.504 251 S N -0.134 115.520 115.700 -0.077 0.000 2.378 251 S HA -0.283 4.209 4.470 0.037 0.000 0.229 251 S C 2.208 176.764 174.600 -0.074 0.000 1.052 251 S CA 2.300 60.476 58.200 -0.041 0.000 1.084 251 S CB -1.032 62.159 63.200 -0.015 0.000 0.950 251 S HN 0.684 nan 8.310 nan 0.000 0.440 252 T N -0.339 114.148 114.554 -0.112 0.000 2.881 252 T HA 0.144 4.516 4.350 0.037 0.000 0.270 252 T C 1.280 175.900 174.700 -0.133 0.000 1.068 252 T CA 0.912 62.951 62.100 -0.101 0.000 1.131 252 T CB -1.140 67.664 68.868 -0.107 0.000 0.871 252 T HN 0.861 nan 8.240 nan 0.000 0.479 253 G N 2.208 110.837 108.800 -0.285 0.000 2.269 253 G HA2 0.018 4.000 3.960 0.037 0.000 0.237 253 G HA3 0.018 4.000 3.960 0.037 0.000 0.237 253 G C -0.431 174.401 174.900 -0.112 0.000 0.761 253 G CA 0.129 45.013 45.100 -0.360 0.000 1.141 253 G HN 0.732 nan 8.290 nan 0.000 0.319 254 K N -0.405 119.833 120.400 -0.270 0.000 2.818 254 K HA 0.365 4.707 4.320 0.037 0.000 0.287 254 K C -0.137 176.551 176.600 0.146 0.000 1.061 254 K CA -0.282 56.096 56.287 0.151 0.000 0.858 254 K CB 0.441 32.984 32.500 0.073 0.000 1.456 254 K HN 0.558 nan 8.250 nan 0.000 0.364 255 T N 1.725 116.419 114.554 0.233 0.000 2.840 255 T HA 0.317 4.689 4.350 0.037 0.000 0.276 255 T C 0.267 175.018 174.700 0.084 0.000 0.912 255 T CA -0.481 61.726 62.100 0.178 0.000 1.116 255 T CB -1.150 67.800 68.868 0.137 0.000 0.895 255 T HN 0.356 nan 8.240 nan 0.000 0.570 256 I N 4.996 125.600 120.570 0.057 0.000 2.308 256 I HA 0.358 4.550 4.170 0.037 0.000 0.293 256 I C -0.131 176.010 176.117 0.039 0.000 1.078 256 I CA -0.516 60.803 61.300 0.030 0.000 1.292 256 I CB 0.315 38.319 38.000 0.006 0.000 1.423 256 I HN 0.317 nan 8.210 nan 0.000 0.493 257 L N 8.188 129.432 121.223 0.035 0.000 3.160 257 L HA 0.002 4.364 4.340 0.037 0.000 0.258 257 L C 1.727 178.613 176.870 0.027 0.000 1.463 257 L CA 0.658 55.517 54.840 0.032 0.000 1.153 257 L CB -1.455 40.618 42.059 0.025 0.000 1.417 257 L HN 0.946 nan 8.230 nan 0.000 0.448 258 M N -0.764 118.855 119.600 0.031 0.000 2.345 258 M HA -0.282 4.220 4.480 0.037 0.000 0.253 258 M C 1.105 177.417 176.300 0.021 0.000 1.068 258 M CA 1.879 57.195 55.300 0.027 0.000 1.069 258 M CB -0.417 32.203 32.600 0.033 0.000 1.292 258 M HN 0.316 nan 8.290 nan 0.000 0.430 259 R N 0.484 120.996 120.500 0.019 0.000 2.670 259 R HA 0.591 4.953 4.340 0.037 0.000 0.289 259 R C -1.909 174.399 176.300 0.013 0.000 0.965 259 R CA -0.808 55.301 56.100 0.015 0.000 0.899 259 R CB 1.896 32.202 30.300 0.010 0.000 1.173 259 R HN 0.164 nan 8.270 nan 0.000 0.456 260 V N 6.404 126.325 119.914 0.012 0.000 2.258 260 V HA 0.179 4.321 4.120 0.037 0.000 0.258 260 V C -0.022 176.077 176.094 0.009 0.000 1.121 260 V CA -0.750 61.557 62.300 0.011 0.000 0.942 260 V CB -0.293 31.536 31.823 0.011 0.000 1.170 260 V HN 0.855 nan 8.190 nan 0.000 0.487 261 K N 2.857 123.262 120.400 0.010 0.000 2.599 261 K HA -0.181 4.161 4.320 0.037 0.000 0.275 261 K C 1.024 177.626 176.600 0.004 0.000 0.983 261 K CA 1.086 57.377 56.287 0.007 0.000 1.076 261 K CB 0.627 33.134 32.500 0.012 0.000 0.822 261 K HN 0.790 nan 8.250 nan 0.000 0.485 262 E N 1.857 122.056 120.200 -0.003 0.000 2.122 262 E HA -0.015 4.357 4.350 0.037 0.000 0.190 262 E C 1.167 177.764 176.600 -0.004 0.000 0.977 262 E CA 0.630 57.027 56.400 -0.005 0.000 0.820 262 E CB 0.123 29.816 29.700 -0.012 0.000 0.770 262 E HN 0.885 nan 8.360 nan 0.000 0.462 263 G N 0.200 108.997 108.800 -0.005 0.000 4.432 263 G HA2 0.002 3.984 3.960 0.037 0.000 0.158 263 G HA3 0.002 3.984 3.960 0.037 0.000 0.158 263 G C -0.242 174.657 174.900 -0.002 0.000 1.637 263 G CA 0.088 45.188 45.100 -0.000 0.000 0.900 263 G HN 0.283 nan 8.290 nan 0.000 0.292 264 S N 1.184 116.870 115.700 -0.023 0.000 2.365 264 S HA 0.273 4.765 4.470 0.037 0.000 0.319 264 S C -1.996 172.541 174.600 -0.105 0.000 0.851 264 S CA -0.507 57.672 58.200 -0.036 0.000 0.875 264 S CB 0.292 63.493 63.200 0.001 0.000 1.190 264 S HN 0.394 nan 8.310 nan 0.000 0.448 265 D N 2.992 123.282 120.400 -0.184 0.000 2.658 265 D HA -0.037 4.625 4.640 0.037 0.000 0.230 265 D C -0.194 175.795 176.300 -0.519 0.000 1.118 265 D CA 1.133 54.910 54.000 -0.372 0.000 0.848 265 D CB 0.501 40.974 40.800 -0.546 0.000 1.160 265 D HN 0.506 nan 8.370 nan 0.000 0.497 266 D N 2.878 123.062 120.400 -0.362 0.000 2.396 266 D HA 0.010 4.672 4.640 0.037 0.000 0.225 266 D C 0.231 176.362 176.300 -0.281 0.000 1.121 266 D CA -0.425 53.425 54.000 -0.250 0.000 0.853 266 D CB 0.188 40.931 40.800 -0.095 0.000 1.043 266 D HN 0.279 nan 8.370 nan 0.000 0.500 267 Y N 2.708 122.925 120.300 -0.138 0.000 2.529 267 Y HA 0.154 4.724 4.550 0.033 0.000 0.290 267 Y C 1.191 176.903 175.900 -0.312 0.000 1.177 267 Y CA -0.056 57.860 58.100 -0.307 0.000 1.305 267 Y CB -0.114 37.906 38.460 -0.734 0.000 1.047 267 Y HN 0.349 nan 8.280 nan 0.000 0.522 268 R N -0.526 119.948 120.500 -0.042 0.000 3.301 268 R HA -0.255 4.107 4.340 0.037 0.000 0.249 268 R C -1.114 175.229 176.300 0.072 0.000 0.964 268 R CA 0.135 56.259 56.100 0.040 0.000 0.653 268 R CB -2.496 27.858 30.300 0.090 0.000 1.043 268 R HN 0.270 nan 8.270 nan 0.000 0.454 269 Y N 0.890 121.131 120.300 -0.098 0.000 2.810 269 Y HA 0.035 4.613 4.550 0.046 0.000 0.332 269 Y C 0.870 176.738 175.900 -0.054 0.000 1.243 269 Y CA 0.824 58.770 58.100 -0.257 0.000 1.537 269 Y CB 0.176 38.172 38.460 -0.774 0.000 1.265 269 Y HN 0.218 nan 8.280 nan 0.000 0.572 270 F N 2.209 122.172 119.950 0.022 0.000 2.641 270 F HA 0.682 5.221 4.527 0.021 0.000 0.308 270 F C -3.383 172.428 175.800 0.017 0.000 1.105 270 F CA -3.720 54.283 58.000 0.004 0.000 0.964 270 F CB 1.083 40.062 39.000 -0.035 0.000 1.294 270 F HN 0.102 nan 8.300 nan 0.000 0.442 271 P HA 0.024 nan 4.420 nan 0.000 0.262 271 P C -0.708 176.657 177.300 0.108 0.000 1.182 271 P CA 0.307 63.490 63.100 0.139 0.000 0.761 271 P CB 0.561 32.354 31.700 0.155 0.000 0.795 272 E N 7.292 127.495 120.200 0.005 0.000 2.161 272 E HA 0.012 4.384 4.350 0.037 0.000 0.263 272 E C -1.372 175.256 176.600 0.047 0.000 1.185 272 E CA -1.782 54.590 56.400 -0.047 0.000 0.938 272 E CB -0.066 29.592 29.700 -0.069 0.000 1.023 272 E HN 0.318 nan 8.360 nan 0.000 0.433 273 P HA -0.095 nan 4.420 nan 0.000 0.223 273 P C -0.033 177.296 177.300 0.048 0.000 1.151 273 P CA 0.712 63.859 63.100 0.079 0.000 0.787 273 P CB 0.441 32.197 31.700 0.092 0.000 0.788 274 D N -0.187 120.225 120.400 0.020 0.000 2.363 274 D HA 0.093 4.755 4.640 0.037 0.000 0.220 274 D C 0.845 177.144 176.300 -0.002 0.000 0.994 274 D CA 0.592 54.595 54.000 0.004 0.000 0.890 274 D CB 0.262 41.053 40.800 -0.014 0.000 0.906 274 D HN 0.319 nan 8.370 nan 0.000 0.530 275 I N 1.467 122.045 120.570 0.012 0.000 2.418 275 I HA 0.100 4.292 4.170 0.037 0.000 0.287 275 I C 0.127 176.312 176.117 0.113 0.000 1.008 275 I CA -1.176 60.147 61.300 0.037 0.000 1.104 275 I CB 2.279 40.267 38.000 -0.021 0.000 1.264 275 I HN -0.292 nan 8.210 nan 0.000 0.438 276 V N 4.542 124.524 119.914 0.113 0.000 2.740 276 V HA 0.293 4.435 4.120 0.037 0.000 0.303 276 V C -2.230 173.976 176.094 0.187 0.000 1.054 276 V CA -1.334 61.044 62.300 0.129 0.000 1.106 276 V CB -0.502 31.386 31.823 0.107 0.000 0.957 276 V HN 0.528 nan 8.190 nan 0.000 0.486 277 P HA 0.247 nan 4.420 nan 0.000 0.268 277 P C -0.472 176.963 177.300 0.226 0.000 1.208 277 P CA -0.106 63.108 63.100 0.190 0.000 0.777 277 P CB 0.300 32.090 31.700 0.150 0.000 0.875 278 L N 2.327 123.680 121.223 0.217 0.000 2.312 278 L HA 0.339 4.701 4.340 0.037 0.000 0.281 278 L C -0.242 176.763 176.870 0.226 0.000 1.070 278 L CA -0.535 54.460 54.840 0.257 0.000 0.805 278 L CB 0.430 42.606 42.059 0.196 0.000 1.174 278 L HN 0.411 nan 8.230 nan 0.000 0.434 279 Y N 4.438 124.869 120.300 0.218 0.000 2.555 279 Y HA 0.441 5.012 4.550 0.036 0.000 0.326 279 Y C -0.168 175.889 175.900 0.262 0.000 0.984 279 Y CA -0.654 57.546 58.100 0.167 0.000 1.298 279 Y CB 0.664 39.208 38.460 0.141 0.000 1.094 279 Y HN 0.378 nan 8.280 nan 0.000 0.500 280 I N 7.051 127.519 120.570 -0.170 0.000 2.311 280 I HA 0.070 4.262 4.170 0.037 0.000 0.297 280 I C 0.093 176.160 176.117 -0.084 0.000 1.131 280 I CA -0.268 60.953 61.300 -0.131 0.000 1.289 280 I CB -0.201 37.486 38.000 -0.521 0.000 1.446 280 I HN 0.572 nan 8.210 nan 0.000 0.524 281 D N 4.327 124.892 120.400 0.274 0.000 2.360 281 D HA -0.010 4.652 4.640 0.037 0.000 0.242 281 D C 0.259 176.667 176.300 0.179 0.000 1.184 281 D CA -0.453 53.701 54.000 0.257 0.000 0.930 281 D CB 1.392 42.413 40.800 0.367 0.000 1.161 281 D HN 0.322 nan 8.370 nan 0.000 0.447 282 D N 0.592 121.072 120.400 0.132 0.000 2.123 282 D HA -0.137 4.525 4.640 0.037 0.000 0.196 282 D C 2.019 178.393 176.300 0.123 0.000 0.992 282 D CA 2.021 56.076 54.000 0.093 0.000 0.833 282 D CB -0.514 40.331 40.800 0.074 0.000 0.954 282 D HN 0.591 nan 8.370 nan 0.000 0.455 283 A N 0.365 123.276 122.820 0.152 0.000 1.902 283 A HA -0.191 4.151 4.320 0.037 0.000 0.217 283 A C 2.099 179.816 177.584 0.222 0.000 1.181 283 A CA 1.320 53.445 52.037 0.148 0.000 0.623 283 A CB -1.072 18.000 19.000 0.120 0.000 0.818 283 A HN 0.359 nan 8.150 nan 0.000 0.443 284 W N 1.216 122.540 121.300 0.040 0.000 2.354 284 W HA -0.145 4.537 4.660 0.036 0.000 0.315 284 W C 2.019 178.555 176.519 0.028 0.000 1.206 284 W CA 1.871 59.239 57.345 0.038 0.000 1.290 284 W CB -0.644 28.842 29.460 0.043 0.000 1.152 284 W HN 0.359 nan 8.180 nan 0.000 0.489 285 K N -0.282 120.216 120.400 0.164 0.000 2.009 285 K HA -0.269 4.073 4.320 0.037 0.000 0.210 285 K C 1.861 178.498 176.600 0.061 0.000 1.049 285 K CA 2.039 58.327 56.287 0.001 0.000 0.929 285 K CB -0.647 31.826 32.500 -0.046 0.000 0.714 285 K HN -0.046 nan 8.250 nan 0.000 0.440 286 E N 1.462 121.711 120.200 0.082 0.000 2.058 286 E HA -0.212 4.160 4.350 0.037 0.000 0.194 286 E C 2.001 178.656 176.600 0.091 0.000 0.997 286 E CA 1.443 57.886 56.400 0.071 0.000 0.801 286 E CB -0.091 29.649 29.700 0.068 0.000 0.746 286 E HN 0.133 nan 8.360 nan 0.000 0.450 287 R N -0.227 120.354 120.500 0.135 0.000 2.094 287 R HA -0.154 4.208 4.340 0.037 0.000 0.239 287 R C 2.269 178.653 176.300 0.141 0.000 1.137 287 R CA 1.957 58.140 56.100 0.139 0.000 0.943 287 R CB -0.507 29.899 30.300 0.177 0.000 0.850 287 R HN 0.222 nan 8.270 nan 0.000 0.433 288 V N 0.782 120.802 119.914 0.178 0.000 2.358 288 V HA -0.219 3.923 4.120 0.037 0.000 0.246 288 V C 2.548 178.689 176.094 0.078 0.000 1.047 288 V CA 2.024 64.412 62.300 0.146 0.000 1.035 288 V CB -0.642 31.265 31.823 0.140 0.000 0.658 288 V HN 0.413 nan 8.190 nan 0.000 0.452 289 R N 0.244 120.775 120.500 0.052 0.000 2.139 289 R HA -0.268 4.094 4.340 0.037 0.000 0.243 289 R C 2.200 178.516 176.300 0.028 0.000 1.145 289 R CA 1.958 58.072 56.100 0.023 0.000 0.976 289 R CB -0.233 30.075 30.300 0.013 0.000 0.866 289 R HN 0.463 nan 8.270 nan 0.000 0.449 290 Q N -0.092 119.734 119.800 0.044 0.000 2.515 290 Q HA -0.044 4.318 4.340 0.037 0.000 0.212 290 Q C 1.135 177.159 176.000 0.040 0.000 0.970 290 Q CA 1.550 57.377 55.803 0.040 0.000 0.941 290 Q CB 0.213 28.978 28.738 0.046 0.000 0.998 290 Q HN 0.537 nan 8.270 nan 0.000 0.518 291 T N -3.282 111.300 114.554 0.046 0.000 3.060 291 T HA 0.262 4.634 4.350 0.037 0.000 0.249 291 T C 0.624 175.335 174.700 0.017 0.000 1.079 291 T CA -0.272 61.853 62.100 0.042 0.000 1.013 291 T CB -0.037 68.871 68.868 0.067 0.000 0.975 291 T HN 0.121 nan 8.240 nan 0.000 0.518 292 I N 4.613 125.190 120.570 0.011 0.000 2.517 292 I HA 0.249 4.441 4.170 0.037 0.000 0.285 292 I C -1.517 174.607 176.117 0.013 0.000 1.106 292 I CA -1.996 59.303 61.300 -0.001 0.000 1.402 292 I CB 0.501 38.492 38.000 -0.014 0.000 1.399 292 I HN 0.161 nan 8.210 nan 0.000 0.535 293 P HA 0.145 nan 4.420 nan 0.000 0.293 293 P C -0.600 176.735 177.300 0.058 0.000 1.304 293 P CA -0.638 62.493 63.100 0.052 0.000 0.767 293 P CB 0.615 32.360 31.700 0.075 0.000 1.247 294 E N -0.071 120.172 120.200 0.071 0.000 2.324 294 E HA 0.157 4.529 4.350 0.037 0.000 0.271 294 E C -0.206 176.417 176.600 0.039 0.000 1.028 294 E CA -0.253 56.172 56.400 0.041 0.000 0.890 294 E CB 0.035 29.765 29.700 0.049 0.000 1.004 294 E HN 0.246 nan 8.360 nan 0.000 0.431 295 L N 5.885 127.062 121.223 -0.078 0.000 2.466 295 L HA 0.161 4.523 4.340 0.037 0.000 0.257 295 L C -1.506 175.138 176.870 -0.375 0.000 1.189 295 L CA -1.749 52.929 54.840 -0.269 0.000 0.813 295 L CB 0.155 42.069 42.059 -0.243 0.000 1.118 295 L HN 0.511 nan 8.230 nan 0.000 0.471 296 P HA -0.201 nan 4.420 nan 0.000 0.216 296 P C 0.722 177.849 177.300 -0.288 0.000 1.167 296 P CA 1.373 64.170 63.100 -0.505 0.000 0.914 296 P CB 0.144 31.508 31.700 -0.560 0.000 0.793 297 D N -0.814 119.450 120.400 -0.227 0.000 2.116 297 D HA -0.195 4.467 4.640 0.037 0.000 0.193 297 D C 1.952 178.170 176.300 -0.137 0.000 0.998 297 D CA 1.105 55.018 54.000 -0.145 0.000 0.836 297 D CB -0.763 39.975 40.800 -0.104 0.000 0.951 297 D HN 0.318 nan 8.370 nan 0.000 0.449 298 E N 0.346 120.464 120.200 -0.137 0.000 2.058 298 E HA -0.171 4.201 4.350 0.037 0.000 0.194 298 E C 2.166 178.680 176.600 -0.143 0.000 0.997 298 E CA 0.830 57.167 56.400 -0.105 0.000 0.801 298 E CB 0.122 29.774 29.700 -0.081 0.000 0.746 298 E HN 0.185 nan 8.360 nan 0.000 0.450 299 R N 0.307 120.673 120.500 -0.223 0.000 2.092 299 R HA -0.058 4.304 4.340 0.037 0.000 0.231 299 R C 2.475 178.368 176.300 -0.678 0.000 1.119 299 R CA 1.154 57.004 56.100 -0.417 0.000 0.970 299 R CB -0.026 30.027 30.300 -0.412 0.000 0.864 299 R HN 0.023 nan 8.270 nan 0.000 0.440 300 K N 0.317 120.450 120.400 -0.445 0.000 2.057 300 K HA -0.076 4.266 4.320 0.037 0.000 0.207 300 K C 2.188 178.715 176.600 -0.121 0.000 1.049 300 K CA 1.312 57.423 56.287 -0.293 0.000 0.931 300 K CB -0.162 32.255 32.500 -0.139 0.000 0.714 300 K HN 0.151 nan 8.250 nan 0.000 0.440 301 A N 2.125 124.888 122.820 -0.096 0.000 1.908 301 A HA -0.231 4.111 4.320 0.037 0.000 0.218 301 A C 1.945 179.542 177.584 0.023 0.000 1.181 301 A CA 1.701 53.724 52.037 -0.024 0.000 0.627 301 A CB -0.322 18.661 19.000 -0.028 0.000 0.818 301 A HN 0.227 nan 8.150 nan 0.000 0.445 302 K N -1.471 118.939 120.400 0.017 0.000 2.025 302 K HA -0.116 4.226 4.320 0.037 0.000 0.207 302 K C 1.948 178.706 176.600 0.264 0.000 1.049 302 K CA 1.501 57.858 56.287 0.118 0.000 0.933 302 K CB -0.420 32.159 32.500 0.132 0.000 0.714 302 K HN 0.515 nan 8.250 nan 0.000 0.438 303 Y N 1.117 121.473 120.300 0.093 0.000 2.151 303 Y HA -0.219 4.353 4.550 0.037 0.000 0.284 303 Y C 2.392 178.341 175.900 0.083 0.000 1.166 303 Y CA 0.498 58.669 58.100 0.119 0.000 1.163 303 Y CB -1.011 37.496 38.460 0.079 0.000 0.974 303 Y HN -0.179 nan 8.280 nan 0.000 0.511 304 V N 0.462 120.509 119.914 0.221 0.000 2.273 304 V HA -0.220 3.922 4.120 0.037 0.000 0.242 304 V C 1.980 178.137 176.094 0.105 0.000 1.035 304 V CA 1.887 64.267 62.300 0.134 0.000 1.013 304 V CB -0.547 31.330 31.823 0.090 0.000 0.652 304 V HN 0.357 nan 8.190 nan 0.000 0.452 305 N N -0.084 118.671 118.700 0.091 0.000 2.331 305 N HA -0.105 4.657 4.740 0.037 0.000 0.180 305 N C 1.733 177.288 175.510 0.075 0.000 1.019 305 N CA 1.148 54.239 53.050 0.070 0.000 0.881 305 N CB 0.037 38.555 38.487 0.052 0.000 0.972 305 N HN 0.610 nan 8.380 nan 0.000 0.435 306 E N -0.138 120.123 120.200 0.101 0.000 2.256 306 E HA 0.219 4.591 4.350 0.037 0.000 0.198 306 E C 1.560 178.219 176.600 0.098 0.000 0.908 306 E CA 0.016 56.472 56.400 0.094 0.000 0.915 306 E CB 0.361 30.121 29.700 0.101 0.000 0.890 306 E HN 0.149 nan 8.360 nan 0.000 0.484 307 L N -0.230 121.074 121.223 0.135 0.000 2.509 307 L HA 0.227 4.589 4.340 0.037 0.000 0.222 307 L C 1.223 178.153 176.870 0.100 0.000 1.123 307 L CA 0.481 55.390 54.840 0.116 0.000 0.856 307 L CB 0.058 42.207 42.059 0.151 0.000 0.985 307 L HN 0.292 nan 8.230 nan 0.000 0.456 308 G N 1.299 110.159 108.800 0.100 0.000 2.176 308 G HA2 -0.287 3.695 3.960 0.037 0.000 0.252 308 G HA3 -0.287 3.695 3.960 0.037 0.000 0.252 308 G C -0.129 174.821 174.900 0.084 0.000 1.024 308 G CA 0.037 45.185 45.100 0.081 0.000 0.755 308 G HN 0.171 nan 8.290 nan 0.000 0.507 309 L N 0.696 121.983 121.223 0.106 0.000 2.418 309 L HA 0.665 5.027 4.340 0.037 0.000 0.265 309 L C -1.683 175.239 176.870 0.087 0.000 1.143 309 L CA -1.960 52.935 54.840 0.091 0.000 0.809 309 L CB 0.529 42.639 42.059 0.085 0.000 1.124 309 L HN -0.057 nan 8.230 nan 0.000 0.456 310 P HA 0.134 nan 4.420 nan 0.000 0.271 310 P C -0.233 177.127 177.300 0.101 0.000 1.216 310 P CA 0.038 63.191 63.100 0.088 0.000 0.776 310 P CB 0.814 32.573 31.700 0.099 0.000 0.881 311 A N 2.941 125.820 122.820 0.099 0.000 1.917 311 A HA -0.279 4.063 4.320 0.037 0.000 0.219 311 A C 2.032 179.684 177.584 0.113 0.000 1.182 311 A CA 1.770 53.863 52.037 0.093 0.000 0.633 311 A CB -1.969 17.075 19.000 0.074 0.000 0.819 311 A HN 0.669 nan 8.150 nan 0.000 0.448 312 Y N 1.256 121.581 120.300 0.042 0.000 2.128 312 Y HA -0.263 4.309 4.550 0.037 0.000 0.284 312 Y C 1.869 177.816 175.900 0.077 0.000 1.154 312 Y CA 2.221 60.355 58.100 0.058 0.000 1.149 312 Y CB -0.479 37.998 38.460 0.028 0.000 0.976 312 Y HN 0.430 nan 8.280 nan 0.000 0.505 313 D N 0.092 120.507 120.400 0.026 0.000 2.104 313 D HA -0.204 4.458 4.640 0.037 0.000 0.194 313 D C 2.333 178.558 176.300 -0.125 0.000 0.994 313 D CA 1.735 55.687 54.000 -0.080 0.000 0.830 313 D CB -0.640 40.153 40.800 -0.013 0.000 0.959 313 D HN 0.467 nan 8.370 nan 0.000 0.452 314 A N 0.153 122.968 122.820 -0.008 0.000 1.908 314 A HA -0.281 4.061 4.320 0.037 0.000 0.218 314 A C 2.048 179.632 177.584 0.000 0.000 1.181 314 A CA 2.185 54.276 52.037 0.090 0.000 0.627 314 A CB -0.992 18.084 19.000 0.127 0.000 0.818 314 A HN 0.396 nan 8.150 nan 0.000 0.445 315 H N -0.392 118.593 119.070 -0.142 0.000 2.293 315 H HA -0.079 4.499 4.556 0.037 0.000 0.300 315 H C 1.861 177.071 175.328 -0.197 0.000 1.082 315 H CA 2.124 58.071 56.048 -0.170 0.000 1.308 315 H CB -0.308 29.336 29.762 -0.197 0.000 1.375 315 H HN 0.115 nan 8.280 nan 0.000 0.495 316 V N 0.238 119.917 119.914 -0.392 0.000 2.343 316 V HA -0.205 3.937 4.120 0.037 0.000 0.247 316 V C 2.378 178.331 176.094 -0.235 0.000 1.051 316 V CA 1.413 63.491 62.300 -0.370 0.000 1.036 316 V CB -0.575 31.026 31.823 -0.371 0.000 0.654 316 V HN 0.340 nan 8.190 nan 0.000 0.451 317 L N 0.879 121.990 121.223 -0.187 0.000 2.275 317 L HA -0.076 4.286 4.340 0.037 0.000 0.215 317 L C 2.348 179.224 176.870 0.010 0.000 1.119 317 L CA 2.405 57.177 54.840 -0.112 0.000 0.790 317 L CB -1.348 40.564 42.059 -0.246 0.000 0.919 317 L HN 0.656 nan 8.230 nan 0.000 0.443 318 T N -5.269 109.273 114.554 -0.019 0.000 3.145 318 T HA 0.151 4.523 4.350 0.037 0.000 0.255 318 T C 1.685 176.420 174.700 0.058 0.000 1.039 318 T CA -0.115 62.026 62.100 0.069 0.000 0.928 318 T CB -0.229 68.625 68.868 -0.023 0.000 1.029 318 T HN 0.135 nan 8.240 nan 0.000 0.554 319 L N 2.076 123.256 121.223 -0.072 0.000 2.265 319 L HA 0.094 4.456 4.340 0.037 0.000 0.215 319 L C 1.208 178.110 176.870 0.054 0.000 1.117 319 L CA 0.928 55.726 54.840 -0.070 0.000 0.782 319 L CB -0.467 41.511 42.059 -0.136 0.000 0.914 319 L HN 0.579 nan 8.230 nan 0.000 0.441 320 T N -5.484 109.097 114.554 0.046 0.000 2.933 320 T HA 0.176 4.548 4.350 0.037 0.000 0.305 320 T C 0.365 174.937 174.700 -0.215 0.000 1.092 320 T CA -0.886 61.187 62.100 -0.045 0.000 1.008 320 T CB 2.450 71.283 68.868 -0.058 0.000 1.102 320 T HN -0.077 nan 8.240 nan 0.000 0.469 321 K N 0.851 120.853 120.400 -0.663 0.000 2.063 321 K HA -0.196 4.146 4.320 0.037 0.000 0.208 321 K C 1.537 177.975 176.600 -0.270 0.000 1.048 321 K CA 1.965 57.742 56.287 -0.851 0.000 0.928 321 K CB -0.117 31.778 32.500 -1.009 0.000 0.713 321 K HN 0.662 nan 8.250 nan 0.000 0.442 322 E N 0.588 120.689 120.200 -0.165 0.000 2.070 322 E HA -0.229 4.143 4.350 0.037 0.000 0.197 322 E C 1.854 178.502 176.600 0.081 0.000 1.004 322 E CA 1.865 58.253 56.400 -0.020 0.000 0.805 322 E CB -0.200 29.492 29.700 -0.014 0.000 0.744 322 E HN 0.395 nan 8.360 nan 0.000 0.451 323 M N -0.280 119.349 119.600 0.049 0.000 2.254 323 M HA -0.114 4.388 4.480 0.037 0.000 0.265 323 M C 2.234 178.662 176.300 0.213 0.000 1.066 323 M CA 1.351 56.713 55.300 0.104 0.000 1.123 323 M CB 0.004 32.621 32.600 0.029 0.000 1.388 323 M HN 0.096 nan 8.290 nan 0.000 0.425 324 S N 0.360 116.169 115.700 0.181 0.000 2.368 324 S HA -0.183 4.309 4.470 0.037 0.000 0.225 324 S C 1.471 176.283 174.600 0.352 0.000 1.030 324 S CA 1.829 60.221 58.200 0.321 0.000 0.999 324 S CB -0.478 62.892 63.200 0.285 0.000 0.844 324 S HN 0.563 nan 8.310 nan 0.000 0.459 325 D N 0.067 120.594 120.400 0.212 0.000 2.117 325 D HA -0.057 4.605 4.640 0.037 0.000 0.198 325 D C 1.603 178.012 176.300 0.182 0.000 0.982 325 D CA 0.872 54.968 54.000 0.161 0.000 0.828 325 D CB -0.462 40.386 40.800 0.079 0.000 0.967 325 D HN 0.448 nan 8.370 nan 0.000 0.464 326 F N 0.776 120.785 119.950 0.097 0.000 2.134 326 F HA -0.184 4.364 4.527 0.037 0.000 0.299 326 F C 2.111 177.982 175.800 0.117 0.000 1.097 326 F CA 0.912 58.968 58.000 0.092 0.000 1.264 326 F CB -0.379 38.673 39.000 0.088 0.000 1.001 326 F HN -0.125 nan 8.300 nan 0.000 0.479 327 F N 1.129 121.250 119.950 0.285 0.000 2.134 327 F HA -0.145 4.404 4.527 0.037 0.000 0.299 327 F C 2.237 178.063 175.800 0.043 0.000 1.097 327 F CA 1.991 60.077 58.000 0.144 0.000 1.264 327 F CB -0.743 38.287 39.000 0.049 0.000 1.001 327 F HN 0.014 nan 8.300 nan 0.000 0.479 328 E N -0.391 119.736 120.200 -0.122 0.000 2.150 328 E HA -0.137 4.235 4.350 0.037 0.000 0.193 328 E C 2.281 178.750 176.600 -0.219 0.000 0.985 328 E CA 1.256 57.505 56.400 -0.251 0.000 0.814 328 E CB -0.097 29.627 29.700 0.040 0.000 0.752 328 E HN 0.378 nan 8.360 nan 0.000 0.466 329 S N 0.021 115.640 115.700 -0.134 0.000 2.362 329 S HA -0.081 4.411 4.470 0.037 0.000 0.221 329 S C 2.103 176.671 174.600 -0.053 0.000 1.032 329 S CA 1.095 59.220 58.200 -0.126 0.000 0.973 329 S CB -0.209 62.917 63.200 -0.123 0.000 0.849 329 S HN 0.241 nan 8.310 nan 0.000 0.465 330 T N 3.933 118.448 114.554 -0.065 0.000 2.665 330 T HA -0.117 4.255 4.350 0.037 0.000 0.268 330 T C 1.941 176.619 174.700 -0.036 0.000 1.035 330 T CA 1.737 63.839 62.100 0.003 0.000 1.151 330 T CB -0.679 68.238 68.868 0.082 0.000 0.862 330 T HN 0.641 nan 8.240 nan 0.000 0.438 331 I N 1.288 121.731 120.570 -0.212 0.000 2.252 331 I HA -0.101 4.091 4.170 0.037 0.000 0.245 331 I C 2.359 178.379 176.117 -0.161 0.000 1.102 331 I CA 1.758 62.921 61.300 -0.228 0.000 1.385 331 I CB -0.751 36.980 38.000 -0.448 0.000 1.064 331 I HN 0.324 nan 8.210 nan 0.000 0.414 332 E N 0.302 120.382 120.200 -0.199 0.000 2.516 332 E HA -0.184 4.188 4.350 0.037 0.000 0.199 332 E C 0.990 177.454 176.600 -0.226 0.000 1.069 332 E CA 0.573 56.853 56.400 -0.199 0.000 0.876 332 E CB -0.486 29.077 29.700 -0.227 0.000 0.843 332 E HN 0.647 nan 8.360 nan 0.000 0.530 333 H N -0.375 118.627 119.070 -0.113 0.000 2.505 333 H HA 0.197 4.775 4.556 0.037 0.000 0.286 333 H C 1.187 176.472 175.328 -0.073 0.000 1.072 333 H CA 0.590 56.584 56.048 -0.092 0.000 1.141 333 H CB 1.231 30.931 29.762 -0.103 0.000 1.550 333 H HN 0.489 nan 8.280 nan 0.000 0.547 334 G N 0.564 109.374 108.800 0.017 0.000 2.284 334 G HA2 -0.292 3.690 3.960 0.037 0.000 0.230 334 G HA3 -0.292 3.690 3.960 0.037 0.000 0.230 334 G C 0.771 175.670 174.900 -0.001 0.000 1.021 334 G CA 0.113 45.215 45.100 0.003 0.000 0.619 334 G HN 0.650 nan 8.290 nan 0.000 0.510 335 A N 0.432 123.254 122.820 0.004 0.000 2.520 335 A HA 0.457 4.799 4.320 0.037 0.000 0.235 335 A C 0.385 177.973 177.584 0.007 0.000 1.065 335 A CA 1.062 53.102 52.037 0.006 0.000 0.764 335 A CB 0.006 19.014 19.000 0.013 0.000 1.002 335 A HN 0.863 nan 8.150 nan 0.000 0.502 336 D N 1.224 121.643 120.400 0.031 0.000 2.424 336 D HA 0.225 4.887 4.640 0.037 0.000 0.244 336 D C 1.192 177.534 176.300 0.070 0.000 1.134 336 D CA 0.070 54.097 54.000 0.045 0.000 0.881 336 D CB 0.780 41.616 40.800 0.060 0.000 1.191 336 D HN 0.142 nan 8.370 nan 0.000 0.445 337 V N 3.818 123.771 119.914 0.065 0.000 2.255 337 V HA -0.250 3.892 4.120 0.037 0.000 0.247 337 V C 2.275 178.486 176.094 0.195 0.000 1.051 337 V CA 1.954 64.329 62.300 0.124 0.000 1.018 337 V CB -0.687 31.200 31.823 0.106 0.000 0.641 337 V HN 0.619 nan 8.190 nan 0.000 0.445 338 K N 0.137 120.615 120.400 0.131 0.000 2.026 338 K HA -0.105 4.237 4.320 0.037 0.000 0.208 338 K C 1.911 178.587 176.600 0.127 0.000 1.048 338 K CA 1.524 57.878 56.287 0.111 0.000 0.929 338 K CB -0.655 31.891 32.500 0.077 0.000 0.713 338 K HN 0.213 nan 8.250 nan 0.000 0.439 339 L N 0.907 122.217 121.223 0.145 0.000 2.127 339 L HA -0.143 4.219 4.340 0.037 0.000 0.211 339 L C 2.017 179.067 176.870 0.301 0.000 1.089 339 L CA 1.965 56.932 54.840 0.213 0.000 0.757 339 L CB -1.567 40.618 42.059 0.210 0.000 0.899 339 L HN 0.305 nan 8.230 nan 0.000 0.434 340 T N -1.293 113.413 114.554 0.252 0.000 2.777 340 T HA -0.143 4.229 4.350 0.037 0.000 0.266 340 T C 2.166 177.043 174.700 0.294 0.000 1.040 340 T CA 1.525 63.802 62.100 0.295 0.000 1.141 340 T CB -0.050 68.987 68.868 0.282 0.000 0.868 340 T HN 0.296 nan 8.240 nan 0.000 0.444 341 S N 1.529 117.364 115.700 0.226 0.000 2.356 341 S HA -0.167 4.325 4.470 0.037 0.000 0.223 341 S C 2.051 176.664 174.600 0.021 0.000 1.032 341 S CA 1.203 59.430 58.200 0.044 0.000 1.005 341 S CB -0.486 62.691 63.200 -0.038 0.000 0.867 341 S HN 0.379 nan 8.310 nan 0.000 0.449 342 N N 0.420 119.137 118.700 0.027 0.000 2.084 342 N HA -0.090 4.672 4.740 0.037 0.000 0.190 342 N C 1.314 176.702 175.510 -0.202 0.000 1.030 342 N CA 1.451 54.444 53.050 -0.094 0.000 0.849 342 N CB -0.731 37.675 38.487 -0.135 0.000 1.012 342 N HN 0.592 nan 8.380 nan 0.000 0.423 343 W N 1.495 122.748 121.300 -0.078 0.000 2.402 343 W HA 0.114 4.796 4.660 0.037 0.000 0.286 343 W C 2.155 178.566 176.519 -0.179 0.000 1.221 343 W CA 0.245 57.484 57.345 -0.177 0.000 1.257 343 W CB -0.442 28.903 29.460 -0.192 0.000 1.120 343 W HN 0.017 nan 8.180 nan 0.000 0.551 344 L N -0.717 120.558 121.223 0.086 0.000 2.044 344 L HA -0.214 4.148 4.340 0.037 0.000 0.205 344 L C 2.322 179.173 176.870 -0.032 0.000 1.075 344 L CA 1.236 56.087 54.840 0.019 0.000 0.747 344 L CB -0.741 41.348 42.059 0.049 0.000 0.903 344 L HN -0.008 nan 8.230 nan 0.000 0.435 345 M N -0.804 118.767 119.600 -0.048 0.000 2.229 345 M HA -0.057 4.445 4.480 0.037 0.000 0.264 345 M C 1.784 178.048 176.300 -0.061 0.000 1.063 345 M CA 1.471 56.743 55.300 -0.046 0.000 1.114 345 M CB -0.587 31.999 32.600 -0.024 0.000 1.387 345 M HN 0.334 nan 8.290 nan 0.000 0.420 346 G N -0.378 108.341 108.800 -0.135 0.000 2.964 346 G HA2 0.290 4.272 3.960 0.037 0.000 0.191 346 G HA3 0.290 4.272 3.960 0.037 0.000 0.191 346 G C 1.205 176.000 174.900 -0.176 0.000 1.978 346 G CA 0.407 45.392 45.100 -0.192 0.000 0.861 346 G HN 0.373 nan 8.290 nan 0.000 0.584 347 G N 0.081 108.678 108.800 -0.338 0.000 2.703 347 G HA2 -0.298 3.684 3.960 0.037 0.000 0.222 347 G HA3 -0.298 3.684 3.960 0.037 0.000 0.222 347 G C 1.792 176.701 174.900 0.016 0.000 1.183 347 G CA 2.264 47.220 45.100 -0.240 0.000 0.775 347 G HN 0.436 nan 8.290 nan 0.000 0.615 348 V N 1.266 121.132 119.914 -0.081 0.000 2.252 348 V HA -0.255 3.887 4.120 0.037 0.000 0.249 348 V C 2.691 178.902 176.094 0.195 0.000 1.056 348 V CA 2.111 64.543 62.300 0.221 0.000 1.022 348 V CB -0.576 31.287 31.823 0.066 0.000 0.641 348 V HN 0.405 nan 8.190 nan 0.000 0.445 349 N N -0.229 118.518 118.700 0.079 0.000 2.166 349 N HA -0.186 4.576 4.740 0.037 0.000 0.186 349 N C 1.890 177.465 175.510 0.108 0.000 1.019 349 N CA 1.546 54.638 53.050 0.070 0.000 0.856 349 N CB -0.102 38.397 38.487 0.022 0.000 0.993 349 N HN 0.529 nan 8.380 nan 0.000 0.426 350 E N -0.333 119.935 120.200 0.114 0.000 2.085 350 E HA -0.168 4.204 4.350 0.037 0.000 0.194 350 E C 1.668 178.369 176.600 0.169 0.000 0.994 350 E CA 0.842 57.309 56.400 0.113 0.000 0.801 350 E CB -0.392 29.367 29.700 0.098 0.000 0.743 350 E HN 0.432 nan 8.360 nan 0.000 0.453 351 Y N 0.409 120.790 120.300 0.136 0.000 2.089 351 Y HA -0.243 4.329 4.550 0.037 0.000 0.282 351 Y C 1.784 177.721 175.900 0.062 0.000 1.139 351 Y CA 1.406 59.584 58.100 0.129 0.000 1.123 351 Y CB -0.360 38.230 38.460 0.217 0.000 0.980 351 Y HN 0.010 nan 8.280 nan 0.000 0.493 352 L N 0.810 122.231 121.223 0.330 0.000 2.081 352 L HA -0.301 4.061 4.340 0.037 0.000 0.212 352 L C 2.169 179.087 176.870 0.080 0.000 1.080 352 L CA 1.750 56.701 54.840 0.184 0.000 0.754 352 L CB -1.225 40.903 42.059 0.116 0.000 0.893 352 L HN 0.330 nan 8.230 nan 0.000 0.433 353 N N 0.716 119.454 118.700 0.064 0.000 2.047 353 N HA -0.142 4.620 4.740 0.037 0.000 0.193 353 N C 1.050 176.557 175.510 -0.006 0.000 1.055 353 N CA 1.215 54.280 53.050 0.025 0.000 0.847 353 N CB -0.321 38.183 38.487 0.028 0.000 1.038 353 N HN 0.466 nan 8.380 nan 0.000 0.427 354 K N 1.236 121.623 120.400 -0.022 0.000 2.989 354 K HA 0.162 4.504 4.320 0.037 0.000 0.264 354 K C -0.146 176.378 176.600 -0.126 0.000 1.228 354 K CA 0.464 56.715 56.287 -0.060 0.000 1.186 354 K CB -0.366 32.100 32.500 -0.055 0.000 1.409 354 K HN 0.266 nan 8.250 nan 0.000 0.271 355 N N 0.119 118.758 118.700 -0.101 0.000 1.912 355 N HA -0.093 4.669 4.740 0.037 0.000 0.255 355 N C -1.085 174.393 175.510 -0.053 0.000 1.405 355 N CA -0.274 52.700 53.050 -0.128 0.000 0.728 355 N CB 0.366 38.690 38.487 -0.273 0.000 1.236 355 N HN 0.172 nan 8.380 nan 0.000 0.600 356 Q N 0.803 120.588 119.800 -0.024 0.000 2.447 356 Q HA -0.145 4.217 4.340 0.037 0.000 0.348 356 Q C -1.340 174.664 176.000 0.006 0.000 1.421 356 Q CA 0.887 56.685 55.803 -0.009 0.000 0.978 356 Q CB -1.307 27.419 28.738 -0.020 0.000 1.191 356 Q HN 0.261 nan 8.270 nan 0.000 0.371 357 V N 0.887 120.823 119.914 0.036 0.000 2.888 357 V HA 0.300 4.442 4.120 0.037 0.000 0.309 357 V C 0.200 176.328 176.094 0.056 0.000 1.114 357 V CA -0.966 61.366 62.300 0.054 0.000 0.940 357 V CB 2.485 34.367 31.823 0.099 0.000 1.021 357 V HN 0.159 nan 8.190 nan 0.000 0.426 358 E N 3.393 123.613 120.200 0.033 0.000 2.316 358 E HA 0.123 4.495 4.350 0.037 0.000 0.275 358 E C 0.993 177.606 176.600 0.022 0.000 1.029 358 E CA -0.330 56.082 56.400 0.020 0.000 0.871 358 E CB 1.196 30.901 29.700 0.009 0.000 1.022 358 E HN 0.642 nan 8.360 nan 0.000 0.418 359 L N 3.889 125.113 121.223 0.001 0.000 2.151 359 L HA -0.251 4.111 4.340 0.037 0.000 0.215 359 L C 1.335 178.207 176.870 0.004 0.000 1.084 359 L CA 1.834 56.648 54.840 -0.043 0.000 0.764 359 L CB -0.343 41.654 42.059 -0.104 0.000 0.891 359 L HN 0.448 nan 8.230 nan 0.000 0.435 360 L N -0.363 120.886 121.223 0.043 0.000 2.313 360 L HA -0.070 4.292 4.340 0.037 0.000 0.214 360 L C 2.172 179.074 176.870 0.053 0.000 1.119 360 L CA 0.982 55.867 54.840 0.075 0.000 0.809 360 L CB -0.810 41.286 42.059 0.062 0.000 0.933 360 L HN 0.144 nan 8.230 nan 0.000 0.449 361 D N -0.548 119.873 120.400 0.036 0.000 2.277 361 D HA -0.040 4.622 4.640 0.037 0.000 0.208 361 D C 1.454 177.771 176.300 0.030 0.000 0.962 361 D CA 1.040 55.060 54.000 0.032 0.000 0.865 361 D CB -0.146 40.672 40.800 0.030 0.000 0.939 361 D HN 0.443 nan 8.370 nan 0.000 0.510 362 T N -0.816 113.750 114.554 0.020 0.000 2.750 362 T HA 0.065 4.437 4.350 0.037 0.000 0.351 362 T C 1.139 175.829 174.700 -0.017 0.000 1.082 362 T CA -0.029 62.063 62.100 -0.013 0.000 1.022 362 T CB 1.044 69.840 68.868 -0.121 0.000 1.249 362 T HN -0.209 nan 8.240 nan 0.000 0.520 363 K N -0.585 119.780 120.400 -0.059 0.000 2.373 363 K HA 0.326 4.668 4.320 0.037 0.000 0.200 363 K C 0.669 177.253 176.600 -0.026 0.000 1.054 363 K CA -0.260 56.006 56.287 -0.036 0.000 1.065 363 K CB -0.587 31.885 32.500 -0.045 0.000 0.886 363 K HN 0.703 nan 8.250 nan 0.000 0.546 364 L N -0.713 120.484 121.223 -0.043 0.000 2.452 364 L HA 0.465 4.827 4.340 0.037 0.000 0.267 364 L C 0.189 177.204 176.870 0.241 0.000 1.188 364 L CA -0.440 54.428 54.840 0.047 0.000 0.821 364 L CB 1.038 43.107 42.059 0.017 0.000 1.102 364 L HN -0.100 nan 8.230 nan 0.000 0.470 365 T N 0.393 115.065 114.554 0.198 0.000 2.906 365 T HA 0.501 4.873 4.350 0.037 0.000 0.295 365 T C -2.197 172.372 174.700 -0.218 0.000 1.075 365 T CA -1.705 60.392 62.100 -0.005 0.000 1.005 365 T CB 2.011 70.814 68.868 -0.110 0.000 1.136 365 T HN 0.496 nan 8.240 nan 0.000 0.498 366 P HA -0.048 nan 4.420 nan 0.000 0.220 366 P C 1.015 178.074 177.300 -0.402 0.000 1.144 366 P CA 0.954 63.696 63.100 -0.597 0.000 0.800 366 P CB 0.293 31.678 31.700 -0.524 0.000 0.772 367 E N -0.104 119.787 120.200 -0.515 0.000 2.033 367 E HA -0.174 4.198 4.350 0.037 0.000 0.189 367 E C 1.745 178.177 176.600 -0.280 0.000 0.979 367 E CA 1.246 57.288 56.400 -0.595 0.000 0.802 367 E CB -0.225 29.173 29.700 -0.503 0.000 0.763 367 E HN 0.234 nan 8.360 nan 0.000 0.449 368 N N 0.962 119.563 118.700 -0.166 0.000 2.188 368 N HA -0.199 4.563 4.740 0.037 0.000 0.184 368 N C 1.930 177.400 175.510 -0.066 0.000 1.018 368 N CA 0.986 53.978 53.050 -0.097 0.000 0.858 368 N CB -0.639 37.809 38.487 -0.064 0.000 0.989 368 N HN 0.173 nan 8.380 nan 0.000 0.426 369 L N 0.320 121.541 121.223 -0.004 0.000 2.042 369 L HA 0.074 4.436 4.340 0.037 0.000 0.210 369 L C 2.280 179.120 176.870 -0.049 0.000 1.076 369 L CA 1.835 56.691 54.840 0.026 0.000 0.749 369 L CB -1.121 41.070 42.059 0.221 0.000 0.893 369 L HN 0.298 nan 8.230 nan 0.000 0.432 370 A N -0.726 122.061 122.820 -0.054 0.000 2.019 370 A HA -0.051 4.291 4.320 0.037 0.000 0.219 370 A C 2.292 179.832 177.584 -0.074 0.000 1.164 370 A CA 1.433 53.436 52.037 -0.056 0.000 0.644 370 A CB -1.438 17.525 19.000 -0.061 0.000 0.805 370 A HN 0.552 nan 8.150 nan 0.000 0.449 371 G N -0.910 107.834 108.800 -0.094 0.000 2.403 371 G HA2 -0.167 3.815 3.960 0.037 0.000 0.216 371 G HA3 -0.167 3.815 3.960 0.037 0.000 0.216 371 G C 1.618 176.464 174.900 -0.090 0.000 1.154 371 G CA 1.004 46.053 45.100 -0.084 0.000 0.784 371 G HN 0.482 nan 8.290 nan 0.000 0.538 372 M N 0.329 119.856 119.600 -0.122 0.000 2.200 372 M HA 0.022 4.524 4.480 0.037 0.000 0.265 372 M C 2.206 178.388 176.300 -0.198 0.000 1.066 372 M CA 1.170 56.368 55.300 -0.171 0.000 1.127 372 M CB -0.131 32.322 32.600 -0.245 0.000 1.379 372 M HN 0.073 nan 8.290 nan 0.000 0.420 373 I N 1.663 122.114 120.570 -0.198 0.000 2.361 373 I HA -0.294 3.898 4.170 0.037 0.000 0.251 373 I C 2.344 178.424 176.117 -0.060 0.000 1.133 373 I CA 1.641 62.855 61.300 -0.143 0.000 1.413 373 I CB -1.538 36.416 38.000 -0.077 0.000 1.073 373 I HN 0.500 nan 8.210 nan 0.000 0.424 374 K N 1.305 121.673 120.400 -0.053 0.000 2.155 374 K HA -0.075 4.267 4.320 0.037 0.000 0.203 374 K C 1.940 178.525 176.600 -0.025 0.000 1.052 374 K CA 1.032 57.302 56.287 -0.028 0.000 0.948 374 K CB -0.464 32.020 32.500 -0.027 0.000 0.728 374 K HN 0.266 nan 8.250 nan 0.000 0.448 375 L N 0.925 122.124 121.223 -0.041 0.000 2.465 375 L HA -0.011 4.351 4.340 0.037 0.000 0.224 375 L C 2.181 179.042 176.870 -0.015 0.000 1.145 375 L CA 0.560 55.383 54.840 -0.030 0.000 0.834 375 L CB -0.308 41.726 42.059 -0.041 0.000 0.944 375 L HN 0.220 nan 8.230 nan 0.000 0.451 376 I N -0.003 120.558 120.570 -0.015 0.000 2.499 376 I HA -0.170 4.022 4.170 0.037 0.000 0.243 376 I C 2.246 178.384 176.117 0.034 0.000 1.085 376 I CA 0.687 61.999 61.300 0.021 0.000 1.422 376 I CB -0.139 37.888 38.000 0.044 0.000 1.165 376 I HN 0.267 nan 8.210 nan 0.000 0.440 377 E N 0.593 120.811 120.200 0.031 0.000 2.533 377 E HA -0.174 4.198 4.350 0.037 0.000 0.201 377 E C 0.640 177.252 176.600 0.021 0.000 1.097 377 E CA 0.719 57.138 56.400 0.033 0.000 0.887 377 E CB -0.135 29.585 29.700 0.034 0.000 0.855 377 E HN 0.436 nan 8.360 nan 0.000 0.540 378 D N -0.305 120.104 120.400 0.015 0.000 2.431 378 D HA 0.084 4.746 4.640 0.037 0.000 0.227 378 D C 1.437 177.745 176.300 0.013 0.000 1.030 378 D CA 1.269 55.276 54.000 0.010 0.000 0.897 378 D CB 0.936 41.737 40.800 0.003 0.000 1.058 378 D HN 0.388 nan 8.370 nan 0.000 0.500 379 G N 0.235 109.046 108.800 0.017 0.000 2.259 379 G HA2 -0.304 3.678 3.960 0.037 0.000 0.217 379 G HA3 -0.304 3.678 3.960 0.037 0.000 0.217 379 G C 1.232 176.142 174.900 0.017 0.000 1.001 379 G CA 0.865 45.977 45.100 0.020 0.000 0.627 379 G HN 0.331 nan 8.290 nan 0.000 0.501 380 T N -1.571 112.989 114.554 0.011 0.000 3.139 380 T HA 0.399 4.771 4.350 0.037 0.000 0.267 380 T C 0.751 175.457 174.700 0.009 0.000 1.164 380 T CA 1.699 63.803 62.100 0.008 0.000 1.075 380 T CB 0.059 68.928 68.868 0.001 0.000 0.904 380 T HN 1.097 nan 8.240 nan 0.000 0.540 381 M N 1.833 121.442 119.600 0.016 0.000 2.265 381 M HA 0.374 4.876 4.480 0.037 0.000 0.262 381 M C -0.810 175.515 176.300 0.041 0.000 1.026 381 M CA -0.492 54.821 55.300 0.022 0.000 0.987 381 M CB 1.933 34.538 32.600 0.007 0.000 1.937 381 M HN 0.217 nan 8.290 nan 0.000 0.481 382 S N 2.472 118.202 115.700 0.049 0.000 2.624 382 S HA 0.360 4.852 4.470 0.037 0.000 0.263 382 S C 0.738 175.396 174.600 0.097 0.000 1.287 382 S CA -0.259 57.979 58.200 0.064 0.000 0.990 382 S CB 1.408 64.640 63.200 0.053 0.000 0.950 382 S HN 0.754 nan 8.310 nan 0.000 0.561 383 S N 1.216 116.983 115.700 0.112 0.000 2.440 383 S HA -0.077 4.415 4.470 0.037 0.000 0.238 383 S C 1.815 176.507 174.600 0.154 0.000 1.010 383 S CA 0.850 59.148 58.200 0.164 0.000 0.972 383 S CB -0.289 62.980 63.200 0.115 0.000 0.774 383 S HN 0.582 nan 8.310 nan 0.000 0.501 384 K N 1.363 121.826 120.400 0.104 0.000 1.973 384 K HA 0.075 4.417 4.320 0.037 0.000 0.210 384 K C 1.920 178.583 176.600 0.105 0.000 1.045 384 K CA 0.927 57.269 56.287 0.092 0.000 0.937 384 K CB -0.923 31.614 32.500 0.063 0.000 0.721 384 K HN 0.280 nan 8.250 nan 0.000 0.438 385 I N 1.993 122.614 120.570 0.087 0.000 2.248 385 I HA -0.242 3.950 4.170 0.037 0.000 0.248 385 I C 2.369 178.547 176.117 0.102 0.000 1.107 385 I CA 1.329 62.675 61.300 0.078 0.000 1.373 385 I CB -0.818 37.214 38.000 0.052 0.000 1.055 385 I HN 0.137 nan 8.210 nan 0.000 0.418 386 A N 0.033 122.931 122.820 0.131 0.000 1.940 386 A HA -0.225 4.117 4.320 0.037 0.000 0.219 386 A C 2.323 180.083 177.584 0.293 0.000 1.176 386 A CA 1.586 53.716 52.037 0.154 0.000 0.631 386 A CB -0.488 18.647 19.000 0.225 0.000 0.814 386 A HN 0.390 nan 8.150 nan 0.000 0.446 387 K N -0.624 119.966 120.400 0.316 0.000 2.217 387 K HA -0.040 4.302 4.320 0.037 0.000 0.202 387 K C 1.602 178.358 176.600 0.261 0.000 1.051 387 K CA 0.869 57.355 56.287 0.333 0.000 0.952 387 K CB -0.024 32.603 32.500 0.213 0.000 0.736 387 K HN 0.286 nan 8.250 nan 0.000 0.453 388 K N 0.666 121.174 120.400 0.180 0.000 2.211 388 K HA -0.030 4.312 4.320 0.037 0.000 0.201 388 K C 2.234 178.905 176.600 0.118 0.000 1.052 388 K CA 0.872 57.237 56.287 0.131 0.000 0.973 388 K CB 0.032 32.584 32.500 0.087 0.000 0.766 388 K HN 0.104 nan 8.250 nan 0.000 0.466 389 V N -1.040 118.944 119.914 0.116 0.000 2.407 389 V HA -0.112 4.030 4.120 0.037 0.000 0.245 389 V C 2.174 178.314 176.094 0.077 0.000 1.041 389 V CA 0.979 63.321 62.300 0.070 0.000 1.040 389 V CB -1.032 30.811 31.823 0.033 0.000 0.671 389 V HN 0.043 nan 8.190 nan 0.000 0.455 390 F N 3.158 123.110 119.950 0.004 0.000 2.091 390 F HA -0.031 4.518 4.527 0.037 0.000 0.299 390 F C 0.090 175.930 175.800 0.067 0.000 1.103 390 F CA 2.415 60.414 58.000 -0.001 0.000 1.228 390 F CB -1.813 37.243 39.000 0.092 0.000 0.984 390 F HN 0.235 nan 8.300 nan 0.000 0.477 391 P HA -0.212 nan 4.420 nan 0.000 0.213 391 P C 1.510 178.778 177.300 -0.053 0.000 1.176 391 P CA 2.347 65.462 63.100 0.025 0.000 0.919 391 P CB -0.023 31.764 31.700 0.144 0.000 0.791 392 E N -0.760 119.419 120.200 -0.035 0.000 2.051 392 E HA -0.141 4.231 4.350 0.037 0.000 0.192 392 E C 1.989 178.523 176.600 -0.109 0.000 0.991 392 E CA 0.735 57.110 56.400 -0.041 0.000 0.799 392 E CB -1.261 28.429 29.700 -0.017 0.000 0.748 392 E HN 0.094 nan 8.360 nan 0.000 0.449 393 L N -0.208 120.922 121.223 -0.154 0.000 2.081 393 L HA -0.287 4.075 4.340 0.037 0.000 0.212 393 L C 2.036 178.747 176.870 -0.266 0.000 1.080 393 L CA 1.504 56.239 54.840 -0.175 0.000 0.754 393 L CB -0.284 41.685 42.059 -0.149 0.000 0.893 393 L HN 0.208 nan 8.230 nan 0.000 0.433 394 A N -0.313 122.213 122.820 -0.491 0.000 1.828 394 A HA -0.171 4.171 4.320 0.037 0.000 0.215 394 A C 2.429 179.831 177.584 -0.304 0.000 1.203 394 A CA 1.817 53.468 52.037 -0.643 0.000 0.614 394 A CB -1.172 17.011 19.000 -1.362 0.000 0.844 394 A HN 0.531 nan 8.150 nan 0.000 0.445 395 A N -0.890 121.863 122.820 -0.111 0.000 1.841 395 A HA -0.163 4.179 4.320 0.037 0.000 0.216 395 A C 2.102 179.672 177.584 -0.023 0.000 1.199 395 A CA 2.083 54.130 52.037 0.017 0.000 0.621 395 A CB -0.340 18.708 19.000 0.081 0.000 0.835 395 A HN 0.449 nan 8.150 nan 0.000 0.445 396 K N -1.201 119.178 120.400 -0.034 0.000 2.435 396 K HA 0.169 4.511 4.320 0.037 0.000 0.199 396 K C 1.341 177.915 176.600 -0.043 0.000 1.153 396 K CA 0.463 56.732 56.287 -0.030 0.000 0.974 396 K CB -0.006 32.484 32.500 -0.018 0.000 0.997 396 K HN 0.438 nan 8.250 nan 0.000 0.547 397 G N 0.628 109.390 108.800 -0.062 0.000 2.587 397 G HA2 0.036 4.018 3.960 0.037 0.000 0.666 397 G HA3 0.036 4.018 3.960 0.037 0.000 0.666 397 G C 0.792 175.661 174.900 -0.053 0.000 1.239 397 G CA 0.901 45.964 45.100 -0.062 0.000 1.353 397 G HN 0.356 nan 8.290 nan 0.000 0.780 398 G N -1.566 107.202 108.800 -0.053 0.000 3.953 398 G HA2 0.017 3.999 3.960 0.037 0.000 0.175 398 G HA3 0.017 3.999 3.960 0.037 0.000 0.175 398 G C 0.040 174.909 174.900 -0.052 0.000 0.875 398 G CA 0.456 45.527 45.100 -0.049 0.000 0.908 398 G HN 0.899 nan 8.290 nan 0.000 0.367 399 N N -0.297 118.375 118.700 -0.047 0.000 2.310 399 N HA 0.634 5.396 4.740 0.037 0.000 0.292 399 N C 0.789 176.272 175.510 -0.044 0.000 1.049 399 N CA 0.309 53.331 53.050 -0.046 0.000 0.849 399 N CB 1.996 40.461 38.487 -0.037 0.000 1.532 399 N HN 0.199 nan 8.380 nan 0.000 0.479 400 A N 2.768 125.559 122.820 -0.048 0.000 1.956 400 A HA 0.096 4.438 4.320 0.037 0.000 0.212 400 A C 1.254 178.817 177.584 -0.034 0.000 1.188 400 A CA 0.849 52.859 52.037 -0.045 0.000 0.675 400 A CB -0.120 18.843 19.000 -0.061 0.000 0.845 400 A HN 0.551 nan 8.150 nan 0.000 0.455 401 K N 0.452 120.832 120.400 -0.034 0.000 3.216 401 K HA 0.123 4.465 4.320 0.037 0.000 0.277 401 K C 0.767 177.355 176.600 -0.021 0.000 1.246 401 K CA 0.293 56.566 56.287 -0.024 0.000 1.227 401 K CB -0.224 32.261 32.500 -0.025 0.000 1.487 401 K HN 0.465 nan 8.250 nan 0.000 0.341 402 Q N -0.272 119.515 119.800 -0.020 0.000 1.784 402 Q HA 0.144 4.506 4.340 0.037 0.000 0.191 402 Q C 0.726 176.717 176.000 -0.015 0.000 0.694 402 Q CA 0.245 56.038 55.803 -0.018 0.000 0.794 402 Q CB 0.373 29.098 28.738 -0.022 0.000 1.209 402 Q HN 0.464 nan 8.270 nan 0.000 0.406 403 I N 0.724 121.285 120.570 -0.015 0.000 3.039 403 I HA -0.024 4.168 4.170 0.037 0.000 0.270 403 I C 1.657 177.772 176.117 -0.004 0.000 1.150 403 I CA 0.445 61.739 61.300 -0.011 0.000 1.448 403 I CB 0.213 38.204 38.000 -0.014 0.000 1.197 403 I HN 0.100 nan 8.210 nan 0.000 0.450 404 M N -0.180 119.419 119.600 -0.003 0.000 2.748 404 M HA -0.035 4.467 4.480 0.037 0.000 0.241 404 M C 1.409 177.710 176.300 0.002 0.000 1.080 404 M CA 1.279 56.581 55.300 0.003 0.000 1.068 404 M CB -0.393 32.209 32.600 0.004 0.000 1.536 404 M HN 0.143 nan 8.290 nan 0.000 0.540 405 E N 0.989 121.187 120.200 -0.002 0.000 2.476 405 E HA -0.019 4.353 4.350 0.037 0.000 0.193 405 E C 0.820 177.418 176.600 -0.002 0.000 0.966 405 E CA 0.246 56.644 56.400 -0.003 0.000 1.114 405 E CB 0.379 30.075 29.700 -0.006 0.000 1.151 405 E HN 0.282 nan 8.360 nan 0.000 0.487 406 D N 0.704 121.101 120.400 -0.005 0.000 2.403 406 D HA 0.004 4.666 4.640 0.037 0.000 0.227 406 D C -0.038 176.261 176.300 -0.002 0.000 0.995 406 D CA 0.555 54.553 54.000 -0.004 0.000 0.928 406 D CB 0.138 40.934 40.800 -0.007 0.000 0.887 406 D HN 0.001 nan 8.370 nan 0.000 0.529 407 N N -1.590 117.110 118.700 0.001 0.000 2.701 407 N HA 0.407 5.169 4.740 0.037 0.000 0.290 407 N C -0.022 175.491 175.510 0.006 0.000 1.338 407 N CA -0.491 52.562 53.050 0.004 0.000 0.799 407 N CB 1.817 40.308 38.487 0.007 0.000 1.491 407 N HN -0.040 nan 8.380 nan 0.000 0.540 408 G N 0.802 109.607 108.800 0.008 0.000 4.125 408 G HA2 0.288 4.270 3.960 0.037 0.000 0.301 408 G HA3 0.288 4.270 3.960 0.037 0.000 0.301 408 G C -0.201 174.706 174.900 0.012 0.000 1.273 408 G CA -0.078 45.028 45.100 0.009 0.000 1.095 408 G HN 0.275 nan 8.290 nan 0.000 0.582 409 L N 1.448 122.679 121.223 0.013 0.000 2.719 409 L HA 0.366 4.728 4.340 0.037 0.000 0.236 409 L C -0.225 176.653 176.870 0.015 0.000 1.221 409 L CA -0.397 54.454 54.840 0.017 0.000 1.048 409 L CB 0.362 42.435 42.059 0.023 0.000 1.364 409 L HN -0.092 nan 8.230 nan 0.000 0.447 410 V N 1.562 121.483 119.914 0.012 0.000 2.472 410 V HA 0.299 4.441 4.120 0.037 0.000 0.290 410 V C 0.490 176.590 176.094 0.010 0.000 1.037 410 V CA -0.397 61.908 62.300 0.009 0.000 0.908 410 V CB 2.014 33.840 31.823 0.006 0.000 0.985 410 V HN 0.782 nan 8.190 nan 0.000 0.454 411 Q N 0.000 119.805 119.800 0.009 0.000 2.315 411 Q HA 0.000 4.362 4.340 0.037 0.000 0.214 411 Q CA 0.000 55.809 55.803 0.009 0.000 1.022 411 Q CB 0.000 28.741 28.738 0.005 0.000 1.108 411 Q HN 0.000 nan 8.270 nan 0.000 0.481