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 1jfh_1_A DATA FIRST_RESID 2 DATA SEQUENCE YAPQTQSGRT SIVHLFEWRW VDIALEcERY LGPKGFGGVQ VSPPNENVVV DATA SEQUENCE TNPSRPWWER YQPVSYKLcT RSGNENEFRD MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGSGAAAGT GTTcGSYCNP GSREFPAVPY SAWDFNDGKc KTASGGIESY DATA SEQUENCE NDPYQVRDcQ LVGLLDLALE KDYVRSMIAD YLNKLIDIGV AGFRIDASKH DATA SEQUENCE MWPGDIKAVL DKLHNLNTNW FPAGSRPFIF QEVIDLGGEA IKSSEYFGNG DATA SEQUENCE RVTEFKYGAK LGTVVRKWSG EKMSYLKNWG EGWGFMPSDR ALVFVDNHDN DATA SEQUENCE QRGHGAGGSS ILTFWDARLY KIAVGFMLAH PYGFTRVMSS YRWARNFVNG DATA SEQUENCE EDVNDWIGPP NNNGVIKEVT INADTTcGND WVcEHRWREI RNMVWFRNVV DATA SEQUENCE DGEPFANWWD NGSNQVAFGR GNRGFIVFNN DDWQLSSTLQ TGLPGGTYcD DATA SEQUENCE VISGDKVGNS cTGIKVYVSS DGTAQFSISN SAEDPFIAIH AESKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.973 175.900 0.122 0.000 1.272 2 Y CA 0.000 58.206 58.100 0.177 0.000 1.940 2 Y CB 0.000 38.494 38.460 0.057 0.000 1.050 3 A N 4.015 126.922 122.820 0.146 0.000 2.409 3 A HA 0.419 4.740 4.320 0.001 0.000 0.267 3 A C -1.352 175.995 177.584 -0.395 0.000 1.127 3 A CA -0.919 51.057 52.037 -0.101 0.000 0.795 3 A CB 0.131 19.112 19.000 -0.030 0.000 1.061 3 A HN 0.122 nan 8.150 nan 0.000 0.502 4 P HA -0.155 nan 4.420 nan 0.000 0.223 4 P C -0.107 176.919 177.300 -0.457 0.000 1.151 4 P CA 0.771 62.956 63.100 -1.525 0.000 0.787 4 P CB 0.143 30.764 31.700 -1.798 0.000 0.788 5 Q N -0.772 118.907 119.800 -0.201 0.000 2.489 5 Q HA -0.118 4.222 4.340 0.001 0.000 0.259 5 Q C 0.284 176.373 176.000 0.150 0.000 0.934 5 Q CA 1.362 57.198 55.803 0.054 0.000 1.131 5 Q CB -3.209 25.592 28.738 0.105 0.000 1.472 5 Q HN 0.499 nan 8.270 nan 0.000 0.560 6 T N -2.921 111.661 114.554 0.046 0.000 2.828 6 T HA 0.365 4.715 4.350 0.001 0.000 0.290 6 T C 0.500 175.225 174.700 0.041 0.000 1.019 6 T CA -0.587 61.564 62.100 0.085 0.000 1.031 6 T CB 1.641 70.564 68.868 0.093 0.000 1.001 6 T HN 0.253 nan 8.240 nan 0.000 0.531 7 Q N 0.724 120.533 119.800 0.015 0.000 2.364 7 Q HA 0.199 4.540 4.340 0.001 0.000 0.267 7 Q C 0.279 176.267 176.000 -0.019 0.000 0.999 7 Q CA -0.252 55.542 55.803 -0.015 0.000 0.886 7 Q CB 0.521 29.241 28.738 -0.030 0.000 1.243 7 Q HN 0.816 nan 8.270 nan 0.000 0.415 8 S N 2.140 117.825 115.700 -0.025 0.000 2.563 8 S HA 0.217 4.688 4.470 0.001 0.000 0.294 8 S C 0.912 175.473 174.600 -0.065 0.000 1.279 8 S CA 1.153 59.330 58.200 -0.038 0.000 1.069 8 S CB -0.259 62.921 63.200 -0.033 0.000 0.828 8 S HN 0.999 nan 8.310 nan 0.000 0.497 9 G N 4.573 113.322 108.800 -0.085 0.000 2.176 9 G HA2 -0.200 3.761 3.960 0.001 0.000 0.232 9 G HA3 -0.200 3.761 3.960 0.001 0.000 0.232 9 G C -0.018 174.776 174.900 -0.176 0.000 0.986 9 G CA -0.039 44.976 45.100 -0.142 0.000 0.643 9 G HN 0.762 nan 8.290 nan 0.000 0.522 10 R N 0.515 120.950 120.500 -0.109 0.000 2.387 10 R HA 0.568 4.909 4.340 0.001 0.000 0.314 10 R C 0.950 177.223 176.300 -0.044 0.000 0.958 10 R CA 0.209 56.250 56.100 -0.098 0.000 0.846 10 R CB 1.155 31.434 30.300 -0.035 0.000 1.147 10 R HN 0.301 nan 8.270 nan 0.000 0.447 11 T N -2.711 111.771 114.554 -0.120 0.000 3.084 11 T HA 0.232 4.583 4.350 0.001 0.000 0.270 11 T C 0.381 174.797 174.700 -0.474 0.000 1.008 11 T CA -0.240 61.766 62.100 -0.157 0.000 0.900 11 T CB 0.478 69.234 68.868 -0.188 0.000 1.084 11 T HN 0.265 nan 8.240 nan 0.000 0.538 12 S N 1.293 116.788 115.700 -0.341 0.000 2.595 12 S HA 0.809 5.279 4.470 0.001 0.000 0.281 12 S C -0.806 173.737 174.600 -0.095 0.000 1.117 12 S CA -1.042 56.906 58.200 -0.419 0.000 0.873 12 S CB 1.750 64.765 63.200 -0.308 0.000 1.108 12 S HN 0.588 nan 8.310 nan 0.000 0.477 13 I N -1.163 119.373 120.570 -0.056 0.000 2.740 13 I HA 0.912 5.082 4.170 0.001 0.000 0.303 13 I C -1.323 174.866 176.117 0.120 0.000 1.044 13 I CA -1.090 60.286 61.300 0.128 0.000 1.064 13 I CB 1.828 39.906 38.000 0.130 0.000 1.249 13 I HN 0.295 nan 8.210 nan 0.000 0.433 14 V N 3.224 123.230 119.914 0.153 0.000 2.604 14 V HA 0.315 4.435 4.120 0.001 0.000 0.305 14 V C -0.459 175.679 176.094 0.074 0.000 1.043 14 V CA -0.486 61.867 62.300 0.088 0.000 0.888 14 V CB 1.526 33.339 31.823 -0.017 0.000 0.995 14 V HN 0.801 nan 8.190 nan 0.000 0.429 15 H N 5.332 124.381 119.070 -0.034 0.000 2.846 15 H HA 0.398 4.954 4.556 0.001 0.000 0.278 15 H C -0.541 174.730 175.328 -0.095 0.000 1.117 15 H CA -0.724 55.324 56.048 -0.000 0.000 1.406 15 H CB 0.700 30.490 29.762 0.047 0.000 1.445 15 H HN 0.540 nan 8.280 nan 0.000 0.469 16 L N 7.586 128.715 121.223 -0.156 0.000 2.466 16 L HA 0.054 4.394 4.340 0.001 0.000 0.248 16 L C -0.060 176.696 176.870 -0.191 0.000 1.240 16 L CA -0.562 53.904 54.840 -0.622 0.000 1.180 16 L CB -0.594 40.822 42.059 -1.072 0.000 1.413 16 L HN 0.554 nan 8.230 nan 0.000 0.406 17 F N 4.191 123.907 119.950 -0.390 0.000 2.569 17 F HA -0.055 4.472 4.527 0.001 0.000 0.395 17 F C 1.405 177.425 175.800 0.367 0.000 1.028 17 F CA 0.305 58.174 58.000 -0.219 0.000 1.158 17 F CB -0.104 38.682 39.000 -0.356 0.000 1.023 17 F HN 0.510 nan 8.300 nan 0.000 0.547 18 E N 2.349 122.574 120.200 0.042 0.000 3.673 18 E HA -0.309 4.042 4.350 0.001 0.000 0.309 18 E C -0.468 176.243 176.600 0.185 0.000 0.819 18 E CA 0.973 57.380 56.400 0.012 0.000 1.111 18 E CB -1.689 27.890 29.700 -0.202 0.000 1.561 18 E HN 0.625 nan 8.360 nan 0.000 0.450 19 W N 1.685 122.919 121.300 -0.111 0.000 2.158 19 W HA 0.177 4.838 4.660 0.001 0.000 0.339 19 W C 1.504 177.863 176.519 -0.267 0.000 1.294 19 W CA 0.071 57.240 57.345 -0.295 0.000 1.231 19 W CB 0.284 29.584 29.460 -0.266 0.000 1.143 19 W HN -0.095 nan 8.180 nan 0.000 0.571 20 R N 1.950 122.374 120.500 -0.127 0.000 2.582 20 R HA 0.095 4.436 4.340 0.001 0.000 0.271 20 R C 1.031 177.367 176.300 0.060 0.000 1.078 20 R CA -0.401 55.561 56.100 -0.229 0.000 1.127 20 R CB 0.546 30.727 30.300 -0.198 0.000 1.038 20 R HN 0.699 nan 8.270 nan 0.000 0.500 21 W N 1.064 122.419 121.300 0.092 0.000 2.338 21 W HA -0.239 4.422 4.660 0.001 0.000 0.304 21 W C 2.025 178.566 176.519 0.036 0.000 1.212 21 W CA 0.545 57.937 57.345 0.077 0.000 1.264 21 W CB -0.390 29.133 29.460 0.106 0.000 1.142 21 W HN 0.478 nan 8.180 nan 0.000 0.512 22 V N -1.769 118.287 119.914 0.236 0.000 2.407 22 V HA -0.253 3.867 4.120 0.001 0.000 0.248 22 V C 1.637 177.786 176.094 0.091 0.000 1.055 22 V CA 2.239 64.615 62.300 0.127 0.000 1.049 22 V CB -0.897 30.967 31.823 0.069 0.000 0.662 22 V HN 0.052 nan 8.190 nan 0.000 0.455 23 D N 0.587 121.028 120.400 0.069 0.000 2.149 23 D HA 0.014 4.655 4.640 0.001 0.000 0.201 23 D C 2.178 178.618 176.300 0.234 0.000 0.972 23 D CA 1.686 55.712 54.000 0.044 0.000 0.835 23 D CB -0.046 40.636 40.800 -0.196 0.000 0.966 23 D HN 0.515 nan 8.370 nan 0.000 0.476 24 I N 1.202 121.952 120.570 0.300 0.000 2.315 24 I HA -0.203 3.967 4.170 0.001 0.000 0.248 24 I C 2.512 178.693 176.117 0.107 0.000 1.117 24 I CA 0.707 62.145 61.300 0.231 0.000 1.404 24 I CB -0.181 37.946 38.000 0.210 0.000 1.071 24 I HN -0.098 nan 8.210 nan 0.000 0.419 25 A N 1.156 124.030 122.820 0.091 0.000 1.883 25 A HA -0.179 4.142 4.320 0.001 0.000 0.217 25 A C 2.306 179.915 177.584 0.043 0.000 1.186 25 A CA 1.491 53.546 52.037 0.031 0.000 0.624 25 A CB -0.853 18.165 19.000 0.029 0.000 0.822 25 A HN 0.366 nan 8.150 nan 0.000 0.444 26 L N -1.138 120.126 121.223 0.068 0.000 2.046 26 L HA -0.187 4.154 4.340 0.001 0.000 0.208 26 L C 2.672 179.596 176.870 0.091 0.000 1.077 26 L CA 1.726 56.606 54.840 0.066 0.000 0.747 26 L CB -0.438 41.654 42.059 0.055 0.000 0.896 26 L HN 0.459 nan 8.230 nan 0.000 0.432 27 E N -0.323 119.956 120.200 0.131 0.000 2.118 27 E HA -0.217 4.134 4.350 0.001 0.000 0.195 27 E C 2.240 178.908 176.600 0.114 0.000 0.992 27 E CA 1.536 58.031 56.400 0.159 0.000 0.804 27 E CB -0.253 29.570 29.700 0.205 0.000 0.741 27 E HN 0.435 nan 8.360 nan 0.000 0.458 28 c N 0.489 119.121 118.600 0.053 0.000 2.432 28 c HA -0.094 4.477 4.570 0.001 0.000 0.277 28 c C 2.372 176.487 174.090 0.041 0.000 1.249 28 c CA 1.160 57.502 56.329 0.022 0.000 1.725 28 c CB -0.881 41.614 42.510 -0.026 0.000 2.028 28 c HN 0.539 nan 8.230 nan 0.000 0.477 29 E N 0.460 120.687 120.200 0.045 0.000 2.072 29 E HA -0.165 4.186 4.350 0.001 0.000 0.190 29 E C 2.336 178.977 176.600 0.069 0.000 0.982 29 E CA 0.964 57.391 56.400 0.046 0.000 0.803 29 E CB -0.228 29.494 29.700 0.037 0.000 0.755 29 E HN 0.701 nan 8.360 nan 0.000 0.453 30 R N -0.970 119.589 120.500 0.097 0.000 2.246 30 R HA -0.004 4.336 4.340 0.001 0.000 0.199 30 R C 1.163 177.581 176.300 0.197 0.000 0.984 30 R CA 0.923 57.096 56.100 0.122 0.000 1.015 30 R CB 0.106 30.475 30.300 0.115 0.000 0.930 30 R HN 0.240 nan 8.270 nan 0.000 0.475 31 Y N 0.038 120.360 120.300 0.037 0.000 3.260 31 Y HA 0.250 4.801 4.550 0.001 0.000 0.202 31 Y C 1.696 177.623 175.900 0.045 0.000 0.962 31 Y CA -0.240 57.883 58.100 0.038 0.000 1.582 31 Y CB 0.107 38.577 38.460 0.016 0.000 1.478 31 Y HN -0.154 nan 8.280 nan 0.000 0.384 32 L N 0.466 121.734 121.223 0.075 0.000 2.042 32 L HA -0.151 4.190 4.340 0.001 0.000 0.210 32 L C 2.448 179.377 176.870 0.098 0.000 1.076 32 L CA 1.754 56.581 54.840 -0.022 0.000 0.749 32 L CB -1.110 40.925 42.059 -0.040 0.000 0.893 32 L HN 0.512 nan 8.230 nan 0.000 0.432 33 G N 0.458 109.296 108.800 0.064 0.000 2.453 33 G HA2 -0.166 3.795 3.960 0.001 0.000 0.215 33 G HA3 -0.166 3.795 3.960 0.001 0.000 0.215 33 G C -0.619 174.335 174.900 0.090 0.000 1.201 33 G CA 0.702 45.844 45.100 0.070 0.000 0.784 33 G HN 0.318 nan 8.290 nan 0.000 0.545 34 P HA -0.000 nan 4.420 nan 0.000 0.218 34 P C 1.589 178.952 177.300 0.106 0.000 1.149 34 P CA 0.989 64.129 63.100 0.065 0.000 0.817 34 P CB 0.157 31.868 31.700 0.018 0.000 0.785 35 K N -1.293 119.141 120.400 0.056 0.000 2.458 35 K HA 0.212 4.533 4.320 0.001 0.000 0.194 35 K C 1.203 178.066 176.600 0.437 0.000 1.024 35 K CA 0.654 57.030 56.287 0.148 0.000 1.108 35 K CB -0.778 31.625 32.500 -0.160 0.000 0.846 35 K HN 0.188 nan 8.250 nan 0.000 0.518 36 G N 1.539 110.559 108.800 0.367 0.000 2.147 36 G HA2 -0.266 3.694 3.960 0.001 0.000 0.244 36 G HA3 -0.266 3.694 3.960 0.001 0.000 0.244 36 G C -0.144 174.783 174.900 0.045 0.000 1.005 36 G CA -0.289 44.909 45.100 0.162 0.000 0.713 36 G HN 0.193 nan 8.290 nan 0.000 0.515 37 F N 0.602 120.572 119.950 0.034 0.000 2.443 37 F HA 0.501 5.028 4.527 0.001 0.000 0.353 37 F C 1.815 177.632 175.800 0.027 0.000 1.101 37 F CA 0.787 58.807 58.000 0.034 0.000 1.226 37 F CB 1.304 40.341 39.000 0.061 0.000 1.140 37 F HN -0.002 nan 8.300 nan 0.000 0.557 38 G N 1.595 110.497 108.800 0.170 0.000 2.408 38 G HA2 0.376 4.336 3.960 0.001 0.000 0.215 38 G HA3 0.376 4.336 3.960 0.001 0.000 0.215 38 G C 0.521 175.560 174.900 0.232 0.000 1.156 38 G CA 0.707 45.906 45.100 0.165 0.000 0.793 38 G HN 1.006 nan 8.290 nan 0.000 0.535 39 G N -2.146 106.829 108.800 0.291 0.000 2.550 39 G HA2 0.468 4.429 3.960 0.001 0.000 0.293 39 G HA3 0.468 4.429 3.960 0.001 0.000 0.293 39 G C -2.221 172.845 174.900 0.277 0.000 1.402 39 G CA -0.284 45.015 45.100 0.332 0.000 0.784 39 G HN 0.458 nan 8.290 nan 0.000 0.482 40 V N 0.415 120.483 119.914 0.256 0.000 2.638 40 V HA 0.533 4.653 4.120 0.001 0.000 0.306 40 V C -0.258 176.007 176.094 0.285 0.000 1.052 40 V CA -0.653 61.747 62.300 0.166 0.000 0.885 40 V CB 1.657 33.483 31.823 0.005 0.000 0.999 40 V HN 0.850 nan 8.190 nan 0.000 0.424 41 Q N 3.631 123.607 119.800 0.294 0.000 2.296 41 Q HA 0.622 4.962 4.340 0.001 0.000 0.257 41 Q C -0.627 175.588 176.000 0.358 0.000 0.942 41 Q CA -0.443 55.563 55.803 0.339 0.000 0.939 41 Q CB 1.803 30.688 28.738 0.245 0.000 1.198 41 Q HN 0.800 nan 8.270 nan 0.000 0.429 42 V N 1.192 121.310 119.914 0.339 0.000 2.837 42 V HA 0.581 4.701 4.120 0.001 0.000 0.310 42 V C 0.147 176.538 176.094 0.495 0.000 1.059 42 V CA -0.817 61.748 62.300 0.442 0.000 1.004 42 V CB 1.645 33.721 31.823 0.421 0.000 1.045 42 V HN 0.766 nan 8.190 nan 0.000 0.465 43 S N 2.665 118.705 115.700 0.567 0.000 2.589 43 S HA 0.339 4.809 4.470 0.001 0.000 0.265 43 S C -2.369 172.478 174.600 0.412 0.000 1.342 43 S CA -0.349 58.129 58.200 0.463 0.000 1.005 43 S CB 0.235 63.644 63.200 0.349 0.000 0.909 43 S HN 0.843 nan 8.310 nan 0.000 0.555 44 P HA 0.051 nan 4.420 nan 0.000 0.258 44 P C -1.851 175.613 177.300 0.273 0.000 1.187 44 P CA -0.702 62.503 63.100 0.175 0.000 0.767 44 P CB 0.110 31.784 31.700 -0.044 0.000 0.770 45 P HA -0.059 nan 4.420 nan 0.000 0.245 45 P C -0.172 177.236 177.300 0.180 0.000 1.206 45 P CA 0.638 63.942 63.100 0.339 0.000 0.781 45 P CB 0.209 31.863 31.700 -0.077 0.000 0.994 46 N N 0.658 119.441 118.700 0.140 0.000 2.515 46 N HA 0.040 4.781 4.740 0.001 0.000 0.279 46 N C -0.168 175.343 175.510 0.001 0.000 1.164 46 N CA -0.441 52.632 53.050 0.038 0.000 0.982 46 N CB 1.176 39.613 38.487 -0.084 0.000 1.170 46 N HN -0.027 nan 8.380 nan 0.000 0.474 47 E N 0.362 120.542 120.200 -0.033 0.000 2.465 47 E HA -0.086 4.265 4.350 0.001 0.000 0.260 47 E C -0.354 176.223 176.600 -0.040 0.000 0.980 47 E CA 0.050 56.433 56.400 -0.029 0.000 0.927 47 E CB 0.276 29.954 29.700 -0.036 0.000 0.934 47 E HN 0.740 nan 8.360 nan 0.000 0.459 48 N N 2.356 121.048 118.700 -0.013 0.000 2.469 48 N HA 0.263 5.003 4.740 0.001 0.000 0.286 48 N C -0.895 174.622 175.510 0.012 0.000 1.275 48 N CA -0.795 52.257 53.050 0.003 0.000 0.790 48 N CB 1.463 39.955 38.487 0.007 0.000 1.446 48 N HN 0.282 nan 8.380 nan 0.000 0.501 49 V N 0.551 120.485 119.914 0.033 0.000 2.775 49 V HA 0.169 4.290 4.120 0.001 0.000 0.299 49 V C -0.262 175.836 176.094 0.005 0.000 1.062 49 V CA -0.403 61.910 62.300 0.022 0.000 1.063 49 V CB 1.252 33.100 31.823 0.042 0.000 0.994 49 V HN 0.456 nan 8.190 nan 0.000 0.483 50 V N 7.104 127.010 119.914 -0.013 0.000 2.385 50 V HA 0.273 4.394 4.120 0.001 0.000 0.269 50 V C -0.000 176.071 176.094 -0.037 0.000 1.043 50 V CA -0.272 62.009 62.300 -0.032 0.000 0.906 50 V CB 1.364 33.166 31.823 -0.034 0.000 0.995 50 V HN 0.626 nan 8.190 nan 0.000 0.467 51 V N 5.316 125.192 119.914 -0.064 0.000 2.350 51 V HA 0.246 4.367 4.120 0.001 0.000 0.276 51 V C 1.193 177.216 176.094 -0.118 0.000 1.028 51 V CA 0.214 62.466 62.300 -0.079 0.000 0.860 51 V CB 1.431 33.187 31.823 -0.112 0.000 0.990 51 V HN 1.038 nan 8.190 nan 0.000 0.453 52 T N 0.435 114.933 114.554 -0.093 0.000 3.037 52 T HA 0.112 4.462 4.350 0.001 0.000 0.251 52 T C 0.644 175.263 174.700 -0.135 0.000 1.079 52 T CA 0.161 62.201 62.100 -0.099 0.000 1.067 52 T CB -0.069 68.758 68.868 -0.067 0.000 0.948 52 T HN 0.465 nan 8.240 nan 0.000 0.496 53 N N 2.800 121.414 118.700 -0.143 0.000 2.617 53 N HA 0.400 5.141 4.740 0.001 0.000 0.263 53 N C -2.823 172.571 175.510 -0.193 0.000 1.074 53 N CA -1.678 51.262 53.050 -0.182 0.000 0.841 53 N CB 1.584 40.002 38.487 -0.115 0.000 1.221 53 N HN 0.111 nan 8.380 nan 0.000 0.529 54 P HA 0.110 nan 4.420 nan 0.000 0.274 54 P C -0.339 176.661 177.300 -0.501 0.000 1.260 54 P CA -0.427 62.231 63.100 -0.737 0.000 0.793 54 P CB 0.630 31.349 31.700 -1.636 0.000 1.048 55 S N 1.541 117.000 115.700 -0.400 0.000 2.437 55 S HA 0.047 4.517 4.470 0.001 0.000 0.304 55 S C 0.141 174.748 174.600 0.011 0.000 1.167 55 S CA -0.363 57.779 58.200 -0.097 0.000 1.106 55 S CB -1.139 62.079 63.200 0.030 0.000 1.099 55 S HN 0.360 nan 8.310 nan 0.000 0.524 56 R N 1.682 122.122 120.500 -0.099 0.000 3.127 56 R HA -0.111 4.230 4.340 0.001 0.000 0.247 56 R C -2.620 173.602 176.300 -0.131 0.000 0.896 56 R CA 0.262 56.292 56.100 -0.116 0.000 0.624 56 R CB -2.730 27.527 30.300 -0.071 0.000 1.154 56 R HN 0.512 nan 8.270 nan 0.000 0.474 57 P HA -0.014 nan 4.420 nan 0.000 0.274 57 P C 1.494 178.518 177.300 -0.460 0.000 1.237 57 P CA -0.508 62.293 63.100 -0.499 0.000 0.793 57 P CB 0.253 31.056 31.700 -1.496 0.000 0.977 58 W N 2.872 124.046 121.300 -0.209 0.000 2.374 58 W HA -0.113 4.548 4.660 0.001 0.000 0.288 58 W C 1.680 178.327 176.519 0.212 0.000 1.218 58 W CA 0.799 58.160 57.345 0.027 0.000 1.245 58 W CB -1.809 27.804 29.460 0.254 0.000 1.126 58 W HN 0.475 nan 8.180 nan 0.000 0.545 59 W N 3.428 124.229 121.300 -0.830 0.000 2.961 59 W HA 0.003 4.664 4.660 0.000 0.000 0.240 59 W C 1.567 178.024 176.519 -0.104 0.000 1.305 59 W CA 0.901 57.864 57.345 -0.636 0.000 1.465 59 W CB -1.340 27.409 29.460 -1.186 0.000 1.135 59 W HN 0.216 nan 8.180 nan 0.000 0.688 60 E N 1.846 122.071 120.200 0.041 0.000 2.268 60 E HA -0.157 4.193 4.350 0.001 0.000 0.195 60 E C 1.805 178.479 176.600 0.125 0.000 0.995 60 E CA 0.746 57.215 56.400 0.115 0.000 0.836 60 E CB -0.525 29.134 29.700 -0.068 0.000 0.763 60 E HN 0.263 nan 8.360 nan 0.000 0.491 61 R N -0.382 120.179 120.500 0.102 0.000 2.316 61 R HA -0.017 4.323 4.340 0.001 0.000 0.202 61 R C 0.335 176.520 176.300 -0.190 0.000 1.029 61 R CA 0.632 56.711 56.100 -0.035 0.000 1.018 61 R CB -0.027 30.233 30.300 -0.065 0.000 0.888 61 R HN 0.314 nan 8.270 nan 0.000 0.471 62 Y N 0.337 120.788 120.300 0.252 0.000 2.658 62 Y HA 0.217 4.768 4.550 0.001 0.000 0.276 62 Y C 0.102 176.191 175.900 0.316 0.000 1.167 62 Y CA -0.100 58.181 58.100 0.302 0.000 1.230 62 Y CB 0.587 39.254 38.460 0.344 0.000 1.144 62 Y HN -0.101 nan 8.280 nan 0.000 0.529 63 Q N 0.992 120.951 119.800 0.265 0.000 3.064 63 Q HA 0.276 4.617 4.340 0.001 0.000 0.258 63 Q C -2.773 173.305 176.000 0.130 0.000 0.972 63 Q CA -1.993 53.947 55.803 0.227 0.000 0.761 63 Q CB 1.393 30.247 28.738 0.193 0.000 1.281 63 Q HN 0.088 nan 8.270 nan 0.000 0.455 64 P HA -0.078 nan 4.420 nan 0.000 0.269 64 P C 0.500 177.787 177.300 -0.021 0.000 1.209 64 P CA 0.121 63.199 63.100 -0.038 0.000 0.776 64 P CB 0.984 32.608 31.700 -0.126 0.000 0.876 65 V N -0.559 119.330 119.914 -0.041 0.000 3.539 65 V HA 0.335 4.455 4.120 0.001 0.000 0.262 65 V C 0.307 176.389 176.094 -0.020 0.000 1.381 65 V CA 0.956 63.325 62.300 0.114 0.000 1.060 65 V CB -0.003 31.887 31.823 0.112 0.000 0.842 65 V HN 0.671 nan 8.190 nan 0.000 0.445 66 S N -1.313 114.222 115.700 -0.275 0.000 2.683 66 S HA 0.591 5.062 4.470 0.001 0.000 0.269 66 S C -0.907 173.285 174.600 -0.681 0.000 1.165 66 S CA -0.204 57.722 58.200 -0.456 0.000 0.840 66 S CB 0.843 63.932 63.200 -0.184 0.000 1.169 66 S HN 0.116 nan 8.310 nan 0.000 0.490 67 Y N 0.867 121.012 120.300 -0.258 0.000 2.636 67 Y HA 0.468 5.018 4.550 0.001 0.000 0.260 67 Y C 0.513 176.300 175.900 -0.189 0.000 1.177 67 Y CA -0.750 57.089 58.100 -0.435 0.000 1.209 67 Y CB 0.034 38.158 38.460 -0.561 0.000 1.166 67 Y HN 0.377 nan 8.280 nan 0.000 0.531 68 K N 1.242 121.630 120.400 -0.020 0.000 2.298 68 K HA 0.280 4.601 4.320 0.001 0.000 0.280 68 K C -0.280 176.345 176.600 0.040 0.000 1.032 68 K CA -0.260 56.045 56.287 0.030 0.000 0.958 68 K CB 0.907 33.418 32.500 0.017 0.000 0.978 68 K HN 0.165 nan 8.250 nan 0.000 0.472 69 L N 3.776 125.032 121.223 0.055 0.000 2.415 69 L HA 0.131 4.472 4.340 0.001 0.000 0.269 69 L C -0.219 176.717 176.870 0.111 0.000 1.244 69 L CA -0.454 54.409 54.840 0.039 0.000 1.113 69 L CB -0.158 41.856 42.059 -0.074 0.000 1.352 69 L HN 0.608 nan 8.230 nan 0.000 0.433 70 c N 2.518 121.183 118.600 0.108 0.000 3.027 70 c HA 0.598 5.169 4.570 0.001 0.000 0.350 70 c C 0.350 174.483 174.090 0.071 0.000 1.042 70 c CA -0.163 56.226 56.329 0.101 0.000 1.350 70 c CB 0.468 43.016 42.510 0.064 0.000 1.809 70 c HN 0.870 nan 8.230 nan 0.000 0.513 71 T N 1.766 116.361 114.554 0.068 0.000 2.669 71 T HA 0.512 4.862 4.350 0.001 0.000 0.283 71 T C 0.988 175.641 174.700 -0.078 0.000 1.019 71 T CA -0.654 61.445 62.100 -0.001 0.000 1.039 71 T CB 1.074 69.948 68.868 0.011 0.000 1.374 71 T HN 0.510 nan 8.240 nan 0.000 0.523 72 R N 0.086 120.516 120.500 -0.116 0.000 2.237 72 R HA 0.053 4.393 4.340 0.001 0.000 0.219 72 R C 2.190 178.333 176.300 -0.261 0.000 1.080 72 R CA 0.921 56.932 56.100 -0.147 0.000 0.995 72 R CB -0.392 29.835 30.300 -0.122 0.000 0.875 72 R HN 0.546 nan 8.270 nan 0.000 0.462 73 S N -0.427 115.002 115.700 -0.451 0.000 2.461 73 S HA 0.102 4.572 4.470 0.001 0.000 0.228 73 S C 0.815 174.823 174.600 -0.986 0.000 1.005 73 S CA 0.765 58.421 58.200 -0.907 0.000 0.942 73 S CB 0.563 62.707 63.200 -1.761 0.000 0.776 73 S HN 0.641 nan 8.310 nan 0.000 0.514 74 G N 0.382 108.867 108.800 -0.525 0.000 2.369 74 G HA2 0.121 4.082 3.960 0.001 0.000 0.293 74 G HA3 0.121 4.082 3.960 0.001 0.000 0.293 74 G C -1.471 173.564 174.900 0.224 0.000 1.301 74 G CA -1.052 43.987 45.100 -0.102 0.000 0.913 74 G HN 0.273 nan 8.290 nan 0.000 0.540 75 N N -0.848 118.028 118.700 0.295 0.000 2.530 75 N HA 0.420 5.161 4.740 0.001 0.000 0.283 75 N C 1.202 176.912 175.510 0.332 0.000 1.238 75 N CA -0.207 52.999 53.050 0.260 0.000 0.971 75 N CB 1.754 40.337 38.487 0.160 0.000 1.195 75 N HN 0.738 nan 8.380 nan 0.000 0.583 76 E N 0.565 120.898 120.200 0.221 0.000 2.085 76 E HA -0.335 4.015 4.350 0.001 0.000 0.194 76 E C 1.333 178.067 176.600 0.224 0.000 0.994 76 E CA 1.297 57.819 56.400 0.205 0.000 0.801 76 E CB -0.040 29.740 29.700 0.133 0.000 0.743 76 E HN 0.529 nan 8.360 nan 0.000 0.453 77 N N -0.041 118.768 118.700 0.181 0.000 2.043 77 N HA -0.229 4.512 4.740 0.001 0.000 0.193 77 N C 1.662 177.270 175.510 0.164 0.000 1.037 77 N CA 1.545 54.684 53.050 0.148 0.000 0.851 77 N CB -0.009 38.550 38.487 0.119 0.000 1.027 77 N HN 0.252 nan 8.380 nan 0.000 0.422 78 E N -0.509 119.827 120.200 0.228 0.000 2.150 78 E HA -0.164 4.187 4.350 0.001 0.000 0.193 78 E C 1.637 178.375 176.600 0.231 0.000 0.985 78 E CA 0.678 57.234 56.400 0.260 0.000 0.814 78 E CB -0.156 29.755 29.700 0.351 0.000 0.752 78 E HN 0.411 nan 8.360 nan 0.000 0.466 79 F N 1.775 121.746 119.950 0.036 0.000 2.113 79 F HA -0.094 4.433 4.527 0.001 0.000 0.297 79 F C 2.190 177.854 175.800 -0.226 0.000 1.103 79 F CA 1.374 59.145 58.000 -0.381 0.000 1.248 79 F CB 0.117 38.855 39.000 -0.437 0.000 0.999 79 F HN -0.223 nan 8.300 nan 0.000 0.475 80 R N -0.034 120.478 120.500 0.020 0.000 2.081 80 R HA -0.193 4.147 4.340 0.001 0.000 0.235 80 R C 1.952 178.192 176.300 -0.100 0.000 1.131 80 R CA 1.786 57.867 56.100 -0.031 0.000 0.960 80 R CB -0.783 29.570 30.300 0.089 0.000 0.856 80 R HN 0.327 nan 8.270 nan 0.000 0.436 81 D N 0.487 120.861 120.400 -0.042 0.000 2.117 81 D HA -0.197 4.443 4.640 0.001 0.000 0.197 81 D C 1.925 178.165 176.300 -0.101 0.000 0.987 81 D CA 1.200 55.182 54.000 -0.030 0.000 0.829 81 D CB 0.051 40.866 40.800 0.025 0.000 0.961 81 D HN 0.094 nan 8.370 nan 0.000 0.460 82 M N -0.309 119.190 119.600 -0.169 0.000 2.086 82 M HA -0.158 4.323 4.480 0.001 0.000 0.261 82 M C 1.823 177.916 176.300 -0.344 0.000 1.067 82 M CA 1.293 56.462 55.300 -0.219 0.000 1.116 82 M CB -0.069 32.382 32.600 -0.249 0.000 1.348 82 M HN -0.003 nan 8.290 nan 0.000 0.407 83 V N 0.589 120.194 119.914 -0.514 0.000 2.295 83 V HA -0.267 3.853 4.120 0.001 0.000 0.246 83 V C 2.336 178.122 176.094 -0.514 0.000 1.049 83 V CA 2.372 64.341 62.300 -0.553 0.000 1.024 83 V CB -1.265 30.198 31.823 -0.598 0.000 0.648 83 V HN 0.585 nan 8.190 nan 0.000 0.447 84 T N -0.296 114.054 114.554 -0.341 0.000 2.674 84 T HA -0.212 4.138 4.350 0.001 0.000 0.265 84 T C 2.082 176.670 174.700 -0.186 0.000 1.039 84 T CA 1.718 63.691 62.100 -0.212 0.000 1.150 84 T CB -0.260 68.643 68.868 0.057 0.000 0.864 84 T HN 0.404 nan 8.240 nan 0.000 0.427 85 R N 0.032 120.452 120.500 -0.134 0.000 2.096 85 R HA -0.045 4.296 4.340 0.001 0.000 0.235 85 R C 2.782 179.002 176.300 -0.135 0.000 1.127 85 R CA 1.378 57.425 56.100 -0.088 0.000 0.968 85 R CB -0.711 29.559 30.300 -0.050 0.000 0.861 85 R HN 0.388 nan 8.270 nan 0.000 0.440 86 c N 0.462 118.935 118.600 -0.211 0.000 2.466 86 c HA 0.009 4.580 4.570 0.001 0.000 0.278 86 c C 2.288 176.203 174.090 -0.291 0.000 1.288 86 c CA 0.317 56.518 56.329 -0.214 0.000 1.722 86 c CB -0.923 41.449 42.510 -0.230 0.000 2.017 86 c HN 0.508 nan 8.230 nan 0.000 0.488 87 N N 1.663 120.056 118.700 -0.513 0.000 2.166 87 N HA -0.096 4.645 4.740 0.001 0.000 0.186 87 N C 1.304 176.556 175.510 -0.430 0.000 1.019 87 N CA 1.106 53.699 53.050 -0.762 0.000 0.856 87 N CB -0.599 36.792 38.487 -1.826 0.000 0.993 87 N HN 0.512 nan 8.380 nan 0.000 0.426 88 N N 0.371 118.953 118.700 -0.197 0.000 2.453 88 N HA -0.081 4.659 4.740 0.001 0.000 0.183 88 N C 1.311 176.823 175.510 0.003 0.000 1.041 88 N CA 0.545 53.622 53.050 0.046 0.000 0.900 88 N CB 0.106 38.654 38.487 0.102 0.000 0.961 88 N HN 0.257 nan 8.380 nan 0.000 0.443 89 V N -4.499 115.386 119.914 -0.048 0.000 3.214 89 V HA 0.559 4.680 4.120 0.001 0.000 0.330 89 V C 1.094 177.171 176.094 -0.029 0.000 1.403 89 V CA 0.101 62.388 62.300 -0.021 0.000 1.143 89 V CB -0.028 31.790 31.823 -0.008 0.000 1.098 89 V HN 0.156 nan 8.190 nan 0.000 0.463 90 G N 0.326 109.086 108.800 -0.067 0.000 2.136 90 G HA2 -0.191 3.769 3.960 0.001 0.000 0.242 90 G HA3 -0.191 3.769 3.960 0.001 0.000 0.242 90 G C -0.044 174.820 174.900 -0.059 0.000 0.989 90 G CA 0.112 45.172 45.100 -0.066 0.000 0.682 90 G HN 0.963 nan 8.290 nan 0.000 0.522 91 V N 2.044 121.906 119.914 -0.088 0.000 2.357 91 V HA 0.589 4.710 4.120 0.001 0.000 0.284 91 V C 0.595 176.609 176.094 -0.134 0.000 1.018 91 V CA -1.341 60.926 62.300 -0.054 0.000 0.841 91 V CB 1.421 33.226 31.823 -0.030 0.000 0.991 91 V HN 0.320 nan 8.190 nan 0.000 0.437 92 R N 3.967 124.414 120.500 -0.089 0.000 2.577 92 R HA 0.545 4.885 4.340 0.001 0.000 0.269 92 R C -0.572 175.531 176.300 -0.328 0.000 1.084 92 R CA -0.677 55.288 56.100 -0.225 0.000 1.163 92 R CB 0.901 31.079 30.300 -0.203 0.000 1.100 92 R HN 0.430 nan 8.270 nan 0.000 0.547 93 I N 2.302 122.555 120.570 -0.528 0.000 2.465 93 I HA 0.291 4.461 4.170 0.001 0.000 0.291 93 I C -0.769 174.961 176.117 -0.645 0.000 1.014 93 I CA -0.909 60.127 61.300 -0.440 0.000 1.093 93 I CB 1.261 39.025 38.000 -0.393 0.000 1.267 93 I HN 0.423 nan 8.210 nan 0.000 0.431 94 Y N 4.699 125.001 120.300 0.004 0.000 2.331 94 Y HA 0.462 5.013 4.550 0.001 0.000 0.334 94 Y C 0.206 176.131 175.900 0.042 0.000 0.960 94 Y CA -0.906 57.205 58.100 0.019 0.000 1.130 94 Y CB 1.910 40.517 38.460 0.244 0.000 1.164 94 Y HN 0.179 nan 8.280 nan 0.000 0.458 95 V N 3.105 123.072 119.914 0.089 0.000 2.509 95 V HA 0.088 4.209 4.120 0.001 0.000 0.284 95 V C -0.086 176.158 176.094 0.250 0.000 1.047 95 V CA -0.645 61.788 62.300 0.221 0.000 0.952 95 V CB 1.371 33.370 31.823 0.293 0.000 0.988 95 V HN 0.661 nan 8.190 nan 0.000 0.469 96 D N 4.255 124.792 120.400 0.227 0.000 2.374 96 D HA 0.321 4.961 4.640 0.001 0.000 0.240 96 D C 0.102 176.518 176.300 0.193 0.000 1.229 96 D CA -0.106 54.002 54.000 0.179 0.000 0.895 96 D CB 1.129 42.060 40.800 0.219 0.000 1.046 96 D HN 0.675 nan 8.370 nan 0.000 0.498 97 A N 4.319 127.224 122.820 0.142 0.000 2.316 97 A HA 0.384 4.704 4.320 0.001 0.000 0.311 97 A C -0.096 177.548 177.584 0.100 0.000 1.339 97 A CA -0.667 51.437 52.037 0.111 0.000 0.960 97 A CB 0.477 19.436 19.000 -0.068 0.000 1.152 97 A HN 0.380 nan 8.150 nan 0.000 0.547 98 V N 5.439 125.426 119.914 0.121 0.000 2.322 98 V HA 0.172 4.293 4.120 0.001 0.000 0.258 98 V C 0.886 176.971 176.094 -0.016 0.000 1.074 98 V CA 0.326 62.656 62.300 0.051 0.000 0.909 98 V CB -0.289 31.557 31.823 0.039 0.000 1.090 98 V HN 0.869 nan 8.190 nan 0.000 0.486 99 I N 0.804 121.351 120.570 -0.038 0.000 4.240 99 I HA 0.356 4.527 4.170 0.001 0.000 0.331 99 I C 1.428 177.519 176.117 -0.043 0.000 1.381 99 I CA 0.187 61.475 61.300 -0.019 0.000 1.136 99 I CB 0.193 38.184 38.000 -0.016 0.000 1.137 99 I HN 0.475 nan 8.210 nan 0.000 0.411 100 N N 1.547 120.193 118.700 -0.090 0.000 2.376 100 N HA -0.045 4.696 4.740 0.001 0.000 0.177 100 N C 0.391 175.946 175.510 0.075 0.000 1.024 100 N CA 1.196 54.267 53.050 0.034 0.000 0.893 100 N CB 0.074 38.676 38.487 0.191 0.000 0.980 100 N HN 0.782 nan 8.380 nan 0.000 0.439 101 H N -4.219 114.896 119.070 0.074 0.000 2.933 101 H HA 0.492 5.049 4.556 0.001 0.000 0.310 101 H C -0.437 174.918 175.328 0.046 0.000 1.351 101 H CA -1.048 55.041 56.048 0.068 0.000 1.137 101 H CB 0.593 30.392 29.762 0.062 0.000 1.853 101 H HN -0.261 nan 8.280 nan 0.000 0.539 102 M N 0.265 119.982 119.600 0.195 0.000 2.325 102 M HA 0.380 4.861 4.480 0.001 0.000 0.220 102 M C 0.709 177.126 176.300 0.195 0.000 0.728 102 M CA -0.656 54.662 55.300 0.030 0.000 1.790 102 M CB 0.210 32.605 32.600 -0.341 0.000 1.150 102 M HN 0.908 nan 8.290 nan 0.000 0.887 103 C N 0.195 119.613 119.300 0.196 0.000 2.480 103 C HA 0.785 5.245 4.460 0.001 0.000 0.344 103 C C 0.960 176.023 174.990 0.121 0.000 1.380 103 C CA -0.874 58.260 59.018 0.193 0.000 2.386 103 C CB -0.425 27.442 27.740 0.211 0.000 2.210 103 C HN 0.818 nan 8.230 nan 0.000 0.640 104 G N 1.067 109.905 108.800 0.063 0.000 2.365 104 G HA2 0.369 4.329 3.960 0.001 0.000 0.249 104 G HA3 0.369 4.329 3.960 0.001 0.000 0.249 104 G C 0.934 175.823 174.900 -0.018 0.000 1.288 104 G CA 0.412 45.511 45.100 -0.001 0.000 0.887 104 G HN 1.493 nan 8.290 nan 0.000 0.524 105 S N 1.512 117.184 115.700 -0.046 0.000 2.442 105 S HA -0.053 4.418 4.470 0.001 0.000 0.236 105 S C 1.897 176.455 174.600 -0.071 0.000 1.007 105 S CA 0.986 59.144 58.200 -0.070 0.000 0.965 105 S CB 0.112 63.265 63.200 -0.079 0.000 0.773 105 S HN 0.866 nan 8.310 nan 0.000 0.504 106 G N 0.534 109.298 108.800 -0.060 0.000 3.523 106 G HA2 0.606 4.566 3.960 0.001 0.000 0.270 106 G HA3 0.606 4.566 3.960 0.001 0.000 0.270 106 G C 0.183 175.051 174.900 -0.053 0.000 1.134 106 G CA 0.044 45.110 45.100 -0.057 0.000 0.825 106 G HN 0.741 nan 8.290 nan 0.000 0.534 107 A N 0.110 122.897 122.820 -0.055 0.000 2.286 107 A HA 0.821 5.141 4.320 0.001 0.000 0.286 107 A C 0.722 178.259 177.584 -0.079 0.000 1.097 107 A CA 0.126 52.131 52.037 -0.053 0.000 0.821 107 A CB 0.700 19.677 19.000 -0.038 0.000 1.076 107 A HN 0.841 nan 8.150 nan 0.000 0.490 108 A N 0.356 123.131 122.820 -0.074 0.000 2.351 108 A HA 0.594 4.915 4.320 0.001 0.000 0.257 108 A C 0.659 178.163 177.584 -0.133 0.000 1.087 108 A CA 0.227 52.214 52.037 -0.085 0.000 0.798 108 A CB -0.057 18.907 19.000 -0.061 0.000 1.033 108 A HN 2.078 nan 8.150 nan 0.000 0.488 109 A N 0.586 123.322 122.820 -0.139 0.000 2.327 109 A HA 0.757 5.078 4.320 0.001 0.000 0.283 109 A C 0.726 178.217 177.584 -0.155 0.000 1.127 109 A CA 0.494 52.396 52.037 -0.225 0.000 0.810 109 A CB 0.155 19.064 19.000 -0.152 0.000 1.066 109 A HN 2.588 nan 8.150 nan 0.000 0.492 110 G N -0.259 108.372 108.800 -0.283 0.000 2.351 110 G HA2 0.396 4.357 3.960 0.001 0.000 0.279 110 G HA3 0.396 4.357 3.960 0.001 0.000 0.279 110 G C 0.036 174.904 174.900 -0.054 0.000 1.297 110 G CA 0.386 45.465 45.100 -0.035 0.000 0.886 110 G HN 1.523 nan 8.290 nan 0.000 0.493 111 T N -1.925 112.654 114.554 0.043 0.000 3.248 111 T HA 0.487 4.838 4.350 0.001 0.000 0.271 111 T C 1.157 175.856 174.700 -0.001 0.000 1.005 111 T CA 0.996 63.118 62.100 0.038 0.000 0.902 111 T CB 0.516 69.430 68.868 0.077 0.000 1.102 111 T HN 1.591 nan 8.240 nan 0.000 0.548 112 G N 2.512 111.295 108.800 -0.027 0.000 3.102 112 G HA2 0.442 4.403 3.960 0.001 0.000 0.264 112 G HA3 0.442 4.403 3.960 0.001 0.000 0.264 112 G C 0.158 175.041 174.900 -0.028 0.000 0.788 112 G CA -0.264 44.819 45.100 -0.027 0.000 2.029 112 G HN 0.677 nan 8.290 nan 0.000 0.608 113 T N -3.024 111.520 114.554 -0.018 0.000 2.901 113 T HA 0.458 4.809 4.350 0.001 0.000 0.293 113 T C 1.370 176.066 174.700 -0.008 0.000 1.084 113 T CA 0.100 62.192 62.100 -0.013 0.000 1.008 113 T CB 1.565 70.427 68.868 -0.010 0.000 1.170 113 T HN 0.180 nan 8.240 nan 0.000 0.509 114 T N -2.483 112.067 114.554 -0.008 0.000 3.025 114 T HA -0.049 4.301 4.350 0.001 0.000 0.270 114 T C 1.315 176.016 174.700 0.002 0.000 1.126 114 T CA 0.790 62.885 62.100 -0.008 0.000 1.105 114 T CB -0.613 68.248 68.868 -0.011 0.000 0.884 114 T HN 0.685 nan 8.240 nan 0.000 0.522 115 c N 0.218 118.823 118.600 0.007 0.000 3.657 115 c HA 0.676 5.247 4.570 0.001 0.000 0.291 115 c C 1.966 176.067 174.090 0.018 0.000 1.572 115 c CA -0.062 56.277 56.329 0.015 0.000 1.818 115 c CB -0.635 41.888 42.510 0.020 0.000 2.903 115 c HN 0.892 nan 8.230 nan 0.000 0.632 116 G N 1.465 110.275 108.800 0.016 0.000 2.176 116 G HA2 -0.212 3.749 3.960 0.001 0.000 0.253 116 G HA3 -0.212 3.749 3.960 0.001 0.000 0.253 116 G C 0.199 175.123 174.900 0.041 0.000 0.979 116 G CA 0.536 45.651 45.100 0.025 0.000 0.641 116 G HN 0.568 nan 8.290 nan 0.000 0.530 117 S N -0.371 115.350 115.700 0.036 0.000 2.579 117 S HA 0.486 4.957 4.470 0.001 0.000 0.275 117 S C -0.065 174.579 174.600 0.073 0.000 1.345 117 S CA -0.239 57.995 58.200 0.055 0.000 1.031 117 S CB 1.004 64.225 63.200 0.036 0.000 0.892 117 S HN 0.572 nan 8.310 nan 0.000 0.529 118 Y N 1.758 122.040 120.300 -0.031 0.000 2.335 118 Y HA 0.530 5.081 4.550 0.001 0.000 0.323 118 Y C 0.027 175.865 175.900 -0.104 0.000 1.224 118 Y CA -0.894 57.170 58.100 -0.061 0.000 1.241 118 Y CB 0.662 39.086 38.460 -0.060 0.000 1.235 118 Y HN 0.889 nan 8.280 nan 0.000 0.492 119 C N 4.294 122.971 119.300 -1.039 0.000 3.171 119 C HA 0.543 5.003 4.460 0.001 0.000 0.336 119 C C -1.589 172.716 174.990 -1.142 0.000 1.198 119 C CA -1.096 57.342 59.018 -0.966 0.000 1.319 119 C CB 1.443 28.768 27.740 -0.691 0.000 1.682 119 C HN 0.907 nan 8.230 nan 0.000 0.497 120 N N 1.993 120.163 118.700 -0.883 0.000 2.648 120 N HA 0.410 5.151 4.740 0.001 0.000 0.261 120 N C -2.193 173.035 175.510 -0.469 0.000 1.138 120 N CA -1.395 51.327 53.050 -0.546 0.000 0.804 120 N CB 2.049 40.374 38.487 -0.269 0.000 1.237 120 N HN 0.462 nan 8.380 nan 0.000 0.532 121 P HA -0.052 nan 4.420 nan 0.000 0.216 121 P C 1.299 178.479 177.300 -0.200 0.000 1.153 121 P CA 1.229 64.174 63.100 -0.258 0.000 0.858 121 P CB 0.227 31.832 31.700 -0.158 0.000 0.789 122 G N -0.991 107.710 108.800 -0.166 0.000 2.442 122 G HA2 -0.205 3.756 3.960 0.001 0.000 0.219 122 G HA3 -0.205 3.756 3.960 0.001 0.000 0.219 122 G C 1.399 176.230 174.900 -0.115 0.000 1.141 122 G CA 0.866 45.894 45.100 -0.120 0.000 0.763 122 G HN 0.248 nan 8.290 nan 0.000 0.554 123 S N -0.419 115.204 115.700 -0.128 0.000 2.557 123 S HA 0.254 4.725 4.470 0.001 0.000 0.223 123 S C 0.789 175.324 174.600 -0.108 0.000 0.969 123 S CA -0.396 57.743 58.200 -0.101 0.000 0.927 123 S CB 0.358 63.513 63.200 -0.076 0.000 0.806 123 S HN 0.341 nan 8.310 nan 0.000 0.489 124 R N 1.799 122.203 120.500 -0.162 0.000 3.416 124 R HA -0.165 4.175 4.340 0.001 0.000 0.263 124 R C -0.352 175.998 176.300 0.084 0.000 1.053 124 R CA 0.516 56.540 56.100 -0.126 0.000 0.705 124 R CB -2.000 28.214 30.300 -0.144 0.000 1.124 124 R HN 0.563 nan 8.270 nan 0.000 0.444 125 E N 0.397 120.508 120.200 -0.148 0.000 2.113 125 E HA 0.368 4.719 4.350 0.001 0.000 0.273 125 E C -0.936 175.476 176.600 -0.313 0.000 0.924 125 E CA -0.617 55.742 56.400 -0.068 0.000 0.764 125 E CB 0.522 30.195 29.700 -0.044 0.000 1.104 125 E HN 0.152 nan 8.360 nan 0.000 0.406 126 F N 6.242 126.285 119.950 0.154 0.000 2.660 126 F HA 0.310 4.838 4.527 0.001 0.000 0.352 126 F C -1.941 173.911 175.800 0.086 0.000 1.257 126 F CA -1.919 56.151 58.000 0.117 0.000 1.200 126 F CB 1.495 40.612 39.000 0.195 0.000 1.473 126 F HN 0.478 nan 8.300 nan 0.000 0.561 127 P HA -0.247 nan 4.420 nan 0.000 0.216 127 P C 1.581 178.939 177.300 0.097 0.000 1.150 127 P CA 1.662 64.844 63.100 0.136 0.000 0.843 127 P CB 0.319 32.102 31.700 0.139 0.000 0.787 128 A N -1.268 121.604 122.820 0.087 0.000 2.172 128 A HA -0.065 4.256 4.320 0.001 0.000 0.216 128 A C 2.114 179.683 177.584 -0.024 0.000 1.154 128 A CA 1.168 53.225 52.037 0.033 0.000 0.701 128 A CB -1.286 17.728 19.000 0.024 0.000 0.789 128 A HN 0.049 nan 8.150 nan 0.000 0.465 129 V N 0.545 120.420 119.914 -0.065 0.000 2.283 129 V HA 0.026 4.146 4.120 0.001 0.000 0.239 129 V C -1.283 174.742 176.094 -0.114 0.000 1.035 129 V CA 1.253 63.425 62.300 -0.214 0.000 1.018 129 V CB -1.101 30.330 31.823 -0.653 0.000 0.658 129 V HN 0.512 nan 8.190 nan 0.000 0.459 130 P HA 0.397 nan 4.420 nan 0.000 0.293 130 P C -1.984 175.419 177.300 0.172 0.000 1.291 130 P CA -0.224 62.918 63.100 0.071 0.000 0.867 130 P CB 1.644 33.432 31.700 0.148 0.000 1.074 131 Y N -0.526 119.949 120.300 0.292 0.000 2.485 131 Y HA 0.509 5.059 4.550 0.001 0.000 0.345 131 Y C 0.717 176.780 175.900 0.272 0.000 0.998 131 Y CA -0.650 57.611 58.100 0.269 0.000 1.059 131 Y CB 2.476 41.064 38.460 0.213 0.000 1.234 131 Y HN 0.322 nan 8.280 nan 0.000 0.461 132 S N -0.035 115.847 115.700 0.304 0.000 2.745 132 S HA 0.643 5.113 4.470 0.001 0.000 0.306 132 S C 0.871 175.542 174.600 0.118 0.000 1.137 132 S CA -0.145 58.083 58.200 0.047 0.000 0.900 132 S CB 1.564 64.522 63.200 -0.404 0.000 1.176 132 S HN 0.779 nan 8.310 nan 0.000 0.520 133 A N 0.480 123.252 122.820 -0.079 0.000 1.986 133 A HA -0.143 4.177 4.320 0.001 0.000 0.220 133 A C 1.486 179.194 177.584 0.206 0.000 1.171 133 A CA 2.100 54.179 52.037 0.071 0.000 0.640 133 A CB -0.887 18.069 19.000 -0.072 0.000 0.811 133 A HN 0.916 nan 8.150 nan 0.000 0.451 134 W N -0.568 120.810 121.300 0.130 0.000 3.292 134 W HA 0.337 4.997 4.660 0.001 0.000 0.263 134 W C -0.167 176.336 176.519 -0.028 0.000 1.318 134 W CA -0.200 57.176 57.345 0.052 0.000 1.663 134 W CB -0.558 28.904 29.460 0.002 0.000 1.114 134 W HN 0.177 nan 8.180 nan 0.000 0.706 135 D N 0.121 120.619 120.400 0.163 0.000 2.340 135 D HA 0.095 4.736 4.640 0.001 0.000 0.217 135 D C -0.543 175.377 176.300 -0.633 0.000 1.081 135 D CA 0.324 54.185 54.000 -0.231 0.000 0.842 135 D CB -0.135 40.416 40.800 -0.415 0.000 0.934 135 D HN 0.069 nan 8.370 nan 0.000 0.511 136 F N 0.015 119.982 119.950 0.029 0.000 2.598 136 F HA 0.321 4.849 4.527 0.001 0.000 0.327 136 F C 1.290 177.120 175.800 0.050 0.000 1.057 136 F CA -1.092 56.914 58.000 0.010 0.000 0.957 136 F CB 0.857 39.864 39.000 0.012 0.000 1.278 136 F HN -0.383 nan 8.300 nan 0.000 0.484 137 N N 1.025 119.872 118.700 0.246 0.000 2.362 137 N HA -0.033 4.708 4.740 0.001 0.000 0.204 137 N C 0.749 176.348 175.510 0.149 0.000 1.166 137 N CA 0.291 53.445 53.050 0.173 0.000 0.831 137 N CB -0.340 38.244 38.487 0.162 0.000 1.008 137 N HN 0.549 nan 8.380 nan 0.000 0.472 138 D N 0.557 121.050 120.400 0.155 0.000 2.126 138 D HA -0.168 4.473 4.640 0.001 0.000 0.190 138 D C 1.761 178.111 176.300 0.082 0.000 1.001 138 D CA 1.448 55.508 54.000 0.100 0.000 0.841 138 D CB -0.327 40.525 40.800 0.085 0.000 0.949 138 D HN 0.358 nan 8.370 nan 0.000 0.446 139 G N 0.064 108.917 108.800 0.089 0.000 2.744 139 G HA2 -0.174 3.786 3.960 0.001 0.000 0.211 139 G HA3 -0.174 3.786 3.960 0.001 0.000 0.211 139 G C 1.514 176.454 174.900 0.067 0.000 1.143 139 G CA 0.149 45.291 45.100 0.070 0.000 0.788 139 G HN 0.223 nan 8.290 nan 0.000 0.534 140 K N -0.528 119.923 120.400 0.086 0.000 2.186 140 K HA 0.056 4.377 4.320 0.001 0.000 0.202 140 K C 0.822 177.483 176.600 0.101 0.000 1.052 140 K CA -0.109 56.235 56.287 0.094 0.000 0.965 140 K CB -0.079 32.495 32.500 0.123 0.000 0.746 140 K HN 0.247 nan 8.250 nan 0.000 0.457 141 c N 2.214 120.870 118.600 0.093 0.000 2.632 141 c HA 0.189 4.759 4.570 0.001 0.000 0.415 141 c C 0.818 174.939 174.090 0.053 0.000 1.332 141 c CA -0.246 56.132 56.329 0.082 0.000 1.874 141 c CB -0.118 42.432 42.510 0.068 0.000 2.596 141 c HN 0.400 nan 8.230 nan 0.000 0.590 142 K N 2.987 123.415 120.400 0.046 0.000 2.373 142 K HA 0.099 4.420 4.320 0.001 0.000 0.202 142 K C 0.817 177.425 176.600 0.014 0.000 1.025 142 K CA 0.058 56.359 56.287 0.022 0.000 1.115 142 K CB 0.211 32.715 32.500 0.007 0.000 0.858 142 K HN 0.881 nan 8.250 nan 0.000 0.525 143 T N -2.273 112.290 114.554 0.016 0.000 2.882 143 T HA 0.337 4.688 4.350 0.001 0.000 0.287 143 T C 1.398 176.099 174.700 0.003 0.000 1.014 143 T CA -0.398 61.705 62.100 0.006 0.000 1.049 143 T CB 1.825 70.693 68.868 -0.000 0.000 1.001 143 T HN 0.046 nan 8.240 nan 0.000 0.525 144 A N 1.668 124.488 122.820 -0.001 0.000 1.969 144 A HA -0.010 4.311 4.320 0.001 0.000 0.218 144 A C 2.540 180.121 177.584 -0.005 0.000 1.169 144 A CA 1.701 53.737 52.037 -0.002 0.000 0.635 144 A CB -1.161 17.838 19.000 -0.003 0.000 0.810 144 A HN 1.120 nan 8.150 nan 0.000 0.445 145 S N -2.510 113.185 115.700 -0.007 0.000 2.501 145 S HA 0.368 4.839 4.470 0.001 0.000 0.220 145 S C 1.558 176.150 174.600 -0.013 0.000 0.997 145 S CA 1.169 59.362 58.200 -0.012 0.000 0.919 145 S CB -0.087 63.104 63.200 -0.015 0.000 0.778 145 S HN 1.883 nan 8.310 nan 0.000 0.523 146 G N 0.265 109.061 108.800 -0.007 0.000 2.176 146 G HA2 -0.077 3.884 3.960 0.001 0.000 0.253 146 G HA3 -0.077 3.884 3.960 0.001 0.000 0.253 146 G C 0.379 175.273 174.900 -0.009 0.000 0.979 146 G CA -0.005 45.093 45.100 -0.003 0.000 0.641 146 G HN 1.135 nan 8.290 nan 0.000 0.530 147 G N -0.877 107.911 108.800 -0.020 0.000 2.820 147 G HA2 0.660 4.620 3.960 0.001 0.000 0.291 147 G HA3 0.660 4.620 3.960 0.001 0.000 0.291 147 G C -0.054 174.821 174.900 -0.042 0.000 1.323 147 G CA -1.031 44.049 45.100 -0.033 0.000 1.055 147 G HN 0.616 nan 8.290 nan 0.000 0.520 148 I N 0.908 121.440 120.570 -0.065 0.000 2.406 148 I HA 0.105 4.275 4.170 0.001 0.000 0.293 148 I C 0.812 176.878 176.117 -0.084 0.000 1.101 148 I CA 0.255 61.483 61.300 -0.121 0.000 1.334 148 I CB 0.936 38.806 38.000 -0.216 0.000 1.421 148 I HN 0.663 nan 8.210 nan 0.000 0.513 149 E N 2.931 123.090 120.200 -0.067 0.000 2.364 149 E HA 0.061 4.412 4.350 0.001 0.000 0.196 149 E C 0.394 176.994 176.600 -0.001 0.000 0.990 149 E CA 0.171 56.559 56.400 -0.020 0.000 0.886 149 E CB 0.628 30.322 29.700 -0.011 0.000 0.866 149 E HN 0.520 nan 8.360 nan 0.000 0.493 150 S N -0.808 114.862 115.700 -0.049 0.000 2.572 150 S HA 0.240 4.711 4.470 0.001 0.000 0.274 150 S C -0.947 173.604 174.600 -0.082 0.000 1.150 150 S CA -0.645 57.556 58.200 0.001 0.000 0.944 150 S CB 0.514 63.723 63.200 0.015 0.000 1.071 150 S HN 0.114 nan 8.310 nan 0.000 0.479 151 Y N 3.171 123.471 120.300 0.001 0.000 2.462 151 Y HA 0.309 4.860 4.550 0.001 0.000 0.293 151 Y C 1.654 177.543 175.900 -0.017 0.000 1.195 151 Y CA -0.026 58.064 58.100 -0.015 0.000 1.276 151 Y CB 0.202 38.648 38.460 -0.024 0.000 1.082 151 Y HN 0.585 nan 8.280 nan 0.000 0.514 152 N N -0.159 118.591 118.700 0.083 0.000 2.280 152 N HA -0.028 4.713 4.740 0.001 0.000 0.192 152 N C -0.558 174.976 175.510 0.040 0.000 1.109 152 N CA 0.433 53.519 53.050 0.059 0.000 0.855 152 N CB 0.398 38.918 38.487 0.055 0.000 0.974 152 N HN 0.222 nan 8.380 nan 0.000 0.482 153 D N 0.709 121.120 120.400 0.019 0.000 2.462 153 D HA 0.218 4.859 4.640 0.001 0.000 0.245 153 D C -1.719 174.581 176.300 -0.001 0.000 1.122 153 D CA -2.125 51.905 54.000 0.050 0.000 0.864 153 D CB 2.033 42.871 40.800 0.064 0.000 1.098 153 D HN -0.082 nan 8.370 nan 0.000 0.541 154 P HA -0.185 nan 4.420 nan 0.000 0.219 154 P C 0.982 178.107 177.300 -0.292 0.000 1.146 154 P CA 0.969 63.940 63.100 -0.214 0.000 0.808 154 P CB 0.244 31.795 31.700 -0.248 0.000 0.779 155 Y N 1.632 121.945 120.300 0.021 0.000 2.114 155 Y HA -0.201 4.350 4.550 0.001 0.000 0.284 155 Y C 3.046 178.977 175.900 0.050 0.000 1.143 155 Y CA 2.055 60.250 58.100 0.158 0.000 1.135 155 Y CB -1.304 37.277 38.460 0.201 0.000 0.980 155 Y HN 0.101 nan 8.280 nan 0.000 0.499 156 Q N -0.542 119.344 119.800 0.143 0.000 2.224 156 Q HA -0.098 4.243 4.340 0.001 0.000 0.203 156 Q C 1.952 177.914 176.000 -0.063 0.000 0.970 156 Q CA 1.694 57.522 55.803 0.041 0.000 0.865 156 Q CB -0.770 27.971 28.738 0.004 0.000 0.922 156 Q HN 0.321 nan 8.270 nan 0.000 0.445 157 V N 1.316 121.131 119.914 -0.165 0.000 2.407 157 V HA -0.212 3.909 4.120 0.001 0.000 0.248 157 V C 2.203 178.229 176.094 -0.115 0.000 1.055 157 V CA 2.189 64.346 62.300 -0.238 0.000 1.049 157 V CB -0.430 31.176 31.823 -0.362 0.000 0.662 157 V HN 0.365 nan 8.190 nan 0.000 0.455 158 R N -0.600 119.762 120.500 -0.229 0.000 2.189 158 R HA 0.034 4.375 4.340 0.001 0.000 0.203 158 R C 1.440 177.747 176.300 0.012 0.000 1.012 158 R CA 0.802 56.753 56.100 -0.249 0.000 1.015 158 R CB 0.019 29.780 30.300 -0.900 0.000 0.938 158 R HN 0.452 nan 8.270 nan 0.000 0.472 159 D N -0.748 119.720 120.400 0.113 0.000 2.389 159 D HA 0.078 4.718 4.640 0.001 0.000 0.206 159 D C 0.215 176.593 176.300 0.130 0.000 1.055 159 D CA 0.278 54.398 54.000 0.199 0.000 0.856 159 D CB 0.362 41.336 40.800 0.290 0.000 0.957 159 D HN 0.085 nan 8.370 nan 0.000 0.509 160 c N 0.967 119.614 118.600 0.079 0.000 2.345 160 c HA 0.377 4.947 4.570 0.001 0.000 0.370 160 c C 0.530 174.634 174.090 0.024 0.000 1.209 160 c CA -0.931 55.426 56.329 0.046 0.000 2.133 160 c CB 1.172 43.691 42.510 0.014 0.000 2.293 160 c HN 0.146 nan 8.230 nan 0.000 0.544 161 Q N 1.174 120.975 119.800 0.002 0.000 2.286 161 Q HA 0.222 4.563 4.340 0.001 0.000 0.267 161 Q C -0.504 175.444 176.000 -0.086 0.000 1.028 161 Q CA 0.198 55.982 55.803 -0.031 0.000 0.901 161 Q CB 0.459 29.176 28.738 -0.036 0.000 1.183 161 Q HN 0.556 nan 8.270 nan 0.000 0.392 162 L N 4.843 125.976 121.223 -0.150 0.000 2.369 162 L HA 0.025 4.365 4.340 0.001 0.000 0.279 162 L C 0.439 177.171 176.870 -0.230 0.000 1.108 162 L CA -0.207 54.485 54.840 -0.247 0.000 0.852 162 L CB 0.451 42.248 42.059 -0.437 0.000 1.169 162 L HN 0.788 nan 8.230 nan 0.000 0.452 163 V N 2.435 122.248 119.914 -0.169 0.000 5.359 163 V HA -0.279 3.842 4.120 0.001 0.000 0.278 163 V C 0.992 176.988 176.094 -0.163 0.000 0.622 163 V CA 0.925 63.126 62.300 -0.164 0.000 0.649 163 V CB -2.698 29.004 31.823 -0.201 0.000 0.408 163 V HN 1.420 nan 8.190 nan 0.000 0.918 164 G N -0.574 108.150 108.800 -0.126 0.000 2.155 164 G HA2 -0.262 3.699 3.960 0.001 0.000 0.257 164 G HA3 -0.262 3.699 3.960 0.001 0.000 0.257 164 G C -0.007 174.832 174.900 -0.102 0.000 0.983 164 G CA 0.327 45.365 45.100 -0.103 0.000 0.676 164 G HN 1.384 nan 8.290 nan 0.000 0.528 165 L N 0.609 121.750 121.223 -0.137 0.000 2.305 165 L HA 0.450 4.791 4.340 0.001 0.000 0.281 165 L C 1.286 178.142 176.870 -0.024 0.000 1.085 165 L CA -0.963 53.810 54.840 -0.112 0.000 0.813 165 L CB 1.061 42.931 42.059 -0.316 0.000 1.157 165 L HN 0.040 nan 8.230 nan 0.000 0.436 166 L N 3.045 124.278 121.223 0.016 0.000 2.615 166 L HA -0.048 4.293 4.340 0.001 0.000 0.271 166 L C 0.122 177.126 176.870 0.223 0.000 1.183 166 L CA 0.240 55.088 54.840 0.013 0.000 0.933 166 L CB -0.140 41.785 42.059 -0.224 0.000 1.199 166 L HN 0.566 nan 8.230 nan 0.000 0.487 167 D N 3.924 124.466 120.400 0.237 0.000 2.316 167 D HA 0.299 4.939 4.640 0.001 0.000 0.245 167 D C -0.205 176.265 176.300 0.283 0.000 1.171 167 D CA -0.273 53.875 54.000 0.247 0.000 0.856 167 D CB 0.748 41.647 40.800 0.163 0.000 1.090 167 D HN 0.263 nan 8.370 nan 0.000 0.476 168 L N 2.638 123.934 121.223 0.121 0.000 2.453 168 L HA 0.250 4.590 4.340 0.001 0.000 0.272 168 L C 0.703 177.526 176.870 -0.078 0.000 1.182 168 L CA -0.616 54.124 54.840 -0.168 0.000 0.858 168 L CB 0.831 42.729 42.059 -0.268 0.000 1.120 168 L HN 0.496 nan 8.230 nan 0.000 0.474 169 A N 4.711 127.441 122.820 -0.150 0.000 2.990 169 A HA 0.255 4.576 4.320 0.001 0.000 0.282 169 A C 0.922 178.497 177.584 -0.014 0.000 1.688 169 A CA -0.363 51.658 52.037 -0.027 0.000 1.391 169 A CB -0.463 18.526 19.000 -0.018 0.000 1.112 169 A HN 0.772 nan 8.150 nan 0.000 0.588 170 L N 0.880 122.122 121.223 0.031 0.000 2.642 170 L HA -0.131 4.210 4.340 0.001 0.000 0.236 170 L C 2.606 179.505 176.870 0.048 0.000 1.169 170 L CA 1.398 56.264 54.840 0.044 0.000 0.851 170 L CB -0.100 42.006 42.059 0.080 0.000 0.968 170 L HN 0.826 nan 8.230 nan 0.000 0.453 171 E N 0.212 120.436 120.200 0.039 0.000 2.299 171 E HA -0.094 4.256 4.350 0.001 0.000 0.193 171 E C 0.290 176.893 176.600 0.005 0.000 0.998 171 E CA 0.242 56.647 56.400 0.008 0.000 0.851 171 E CB 0.038 29.723 29.700 -0.025 0.000 0.795 171 E HN 0.364 nan 8.360 nan 0.000 0.492 172 K N 1.513 121.925 120.400 0.019 0.000 2.298 172 K HA 0.047 4.367 4.320 0.001 0.000 0.280 172 K C 0.160 176.796 176.600 0.060 0.000 1.032 172 K CA 0.178 56.487 56.287 0.036 0.000 0.958 172 K CB 1.156 33.689 32.500 0.055 0.000 0.978 172 K HN -0.083 nan 8.250 nan 0.000 0.472 173 D N 1.747 122.182 120.400 0.058 0.000 2.178 173 D HA -0.219 4.422 4.640 0.001 0.000 0.201 173 D C 1.443 177.794 176.300 0.084 0.000 0.980 173 D CA 1.242 55.272 54.000 0.051 0.000 0.842 173 D CB 0.065 40.886 40.800 0.035 0.000 0.948 173 D HN 0.624 nan 8.370 nan 0.000 0.472 174 Y N 0.237 120.550 120.300 0.022 0.000 2.097 174 Y HA -0.234 4.317 4.550 0.001 0.000 0.282 174 Y C 2.080 178.035 175.900 0.092 0.000 1.152 174 Y CA 1.635 59.772 58.100 0.061 0.000 1.136 174 Y CB -0.395 38.117 38.460 0.088 0.000 0.975 174 Y HN -0.078 nan 8.280 nan 0.000 0.498 175 V N 0.626 120.703 119.914 0.273 0.000 2.307 175 V HA -0.282 3.838 4.120 0.001 0.000 0.245 175 V C 2.359 178.489 176.094 0.060 0.000 1.045 175 V CA 2.206 64.619 62.300 0.189 0.000 1.024 175 V CB -0.639 31.218 31.823 0.057 0.000 0.651 175 V HN 0.331 nan 8.190 nan 0.000 0.449 176 R N 0.135 120.650 120.500 0.024 0.000 2.083 176 R HA -0.154 4.186 4.340 0.001 0.000 0.237 176 R C 2.576 178.838 176.300 -0.062 0.000 1.137 176 R CA 1.870 57.959 56.100 -0.019 0.000 0.951 176 R CB -0.543 29.750 30.300 -0.012 0.000 0.851 176 R HN 0.447 nan 8.270 nan 0.000 0.434 177 S N 0.546 116.202 115.700 -0.073 0.000 2.383 177 S HA -0.131 4.340 4.470 0.001 0.000 0.227 177 S C 1.777 176.284 174.600 -0.156 0.000 1.026 177 S CA 1.089 59.221 58.200 -0.113 0.000 0.981 177 S CB -0.117 63.015 63.200 -0.114 0.000 0.818 177 S HN 0.154 nan 8.310 nan 0.000 0.472 178 M N 1.561 121.055 119.600 -0.176 0.000 2.117 178 M HA 0.038 4.519 4.480 0.001 0.000 0.262 178 M C 1.654 177.815 176.300 -0.232 0.000 1.065 178 M CA 1.462 56.648 55.300 -0.190 0.000 1.114 178 M CB -0.529 31.997 32.600 -0.125 0.000 1.361 178 M HN 0.262 nan 8.290 nan 0.000 0.408 179 I N -0.760 119.691 120.570 -0.197 0.000 2.286 179 I HA -0.215 3.956 4.170 0.001 0.000 0.245 179 I C 2.325 178.289 176.117 -0.255 0.000 1.104 179 I CA 1.044 62.173 61.300 -0.285 0.000 1.397 179 I CB -0.683 37.221 38.000 -0.159 0.000 1.072 179 I HN 0.321 nan 8.210 nan 0.000 0.417 180 A N 0.463 123.156 122.820 -0.211 0.000 1.933 180 A HA -0.231 4.090 4.320 0.001 0.000 0.218 180 A C 1.908 179.345 177.584 -0.245 0.000 1.175 180 A CA 1.989 53.888 52.037 -0.230 0.000 0.628 180 A CB -0.535 18.356 19.000 -0.181 0.000 0.814 180 A HN 0.331 nan 8.150 nan 0.000 0.444 181 D N -1.751 118.531 120.400 -0.197 0.000 2.178 181 D HA -0.131 4.510 4.640 0.001 0.000 0.202 181 D C 1.633 177.853 176.300 -0.133 0.000 0.974 181 D CA 1.452 55.359 54.000 -0.156 0.000 0.841 181 D CB -0.394 40.340 40.800 -0.111 0.000 0.953 181 D HN 0.633 nan 8.370 nan 0.000 0.478 182 Y N 1.460 121.573 120.300 -0.313 0.000 2.200 182 Y HA -0.079 4.471 4.550 0.001 0.000 0.290 182 Y C 2.008 177.759 175.900 -0.248 0.000 1.137 182 Y CA 1.186 59.096 58.100 -0.316 0.000 1.163 182 Y CB -0.537 37.551 38.460 -0.621 0.000 0.988 182 Y HN -0.103 nan 8.280 nan 0.000 0.518 183 L N 0.257 121.119 121.223 -0.602 0.000 2.093 183 L HA -0.211 4.129 4.340 0.001 0.000 0.208 183 L C 2.109 178.812 176.870 -0.278 0.000 1.085 183 L CA 1.288 55.722 54.840 -0.675 0.000 0.755 183 L CB -0.673 40.902 42.059 -0.807 0.000 0.904 183 L HN 0.241 nan 8.230 nan 0.000 0.435 184 N N 0.399 118.942 118.700 -0.261 0.000 2.244 184 N HA -0.184 4.557 4.740 0.001 0.000 0.183 184 N C 1.761 177.237 175.510 -0.057 0.000 1.016 184 N CA 1.013 53.941 53.050 -0.203 0.000 0.866 184 N CB -0.091 38.129 38.487 -0.445 0.000 0.980 184 N HN 0.335 nan 8.380 nan 0.000 0.430 185 K N 0.465 120.821 120.400 -0.073 0.000 2.057 185 K HA -0.088 4.233 4.320 0.001 0.000 0.207 185 K C 1.591 178.204 176.600 0.022 0.000 1.049 185 K CA 0.803 57.089 56.287 -0.002 0.000 0.931 185 K CB 0.014 32.515 32.500 0.001 0.000 0.714 185 K HN -0.068 nan 8.250 nan 0.000 0.440 186 L N 1.504 122.708 121.223 -0.033 0.000 2.046 186 L HA -0.111 4.230 4.340 0.001 0.000 0.208 186 L C 2.187 179.109 176.870 0.086 0.000 1.077 186 L CA 1.461 56.332 54.840 0.053 0.000 0.747 186 L CB -0.544 41.544 42.059 0.048 0.000 0.896 186 L HN 0.246 nan 8.230 nan 0.000 0.432 187 I N -0.469 120.156 120.570 0.091 0.000 2.226 187 I HA -0.295 3.876 4.170 0.001 0.000 0.245 187 I C 1.894 178.068 176.117 0.095 0.000 1.100 187 I CA 1.165 62.498 61.300 0.055 0.000 1.374 187 I CB -0.365 37.681 38.000 0.076 0.000 1.057 187 I HN 0.252 nan 8.210 nan 0.000 0.413 188 D N 0.852 121.326 120.400 0.123 0.000 2.178 188 D HA -0.105 4.536 4.640 0.001 0.000 0.202 188 D C 2.181 178.578 176.300 0.162 0.000 0.974 188 D CA 1.164 55.250 54.000 0.143 0.000 0.841 188 D CB -0.140 40.741 40.800 0.135 0.000 0.953 188 D HN 0.356 nan 8.370 nan 0.000 0.478 189 I N -0.503 120.156 120.570 0.150 0.000 2.394 189 I HA -0.055 4.116 4.170 0.001 0.000 0.251 189 I C 1.679 177.904 176.117 0.180 0.000 1.136 189 I CA 1.235 62.632 61.300 0.162 0.000 1.425 189 I CB 0.107 38.209 38.000 0.170 0.000 1.079 189 I HN 0.179 nan 8.210 nan 0.000 0.425 190 G N -0.078 108.812 108.800 0.149 0.000 2.370 190 G HA2 -0.139 3.821 3.960 0.001 0.000 0.174 190 G HA3 -0.139 3.821 3.960 0.001 0.000 0.174 190 G C 0.154 175.039 174.900 -0.025 0.000 1.002 190 G CA -0.424 44.767 45.100 0.151 0.000 0.730 190 G HN 0.026 nan 8.290 nan 0.000 0.497 191 V N 1.408 121.252 119.914 -0.116 0.000 2.763 191 V HA 0.425 4.546 4.120 0.001 0.000 0.306 191 V C 1.729 177.591 176.094 -0.388 0.000 1.059 191 V CA 1.114 63.245 62.300 -0.281 0.000 1.138 191 V CB 1.386 33.038 31.823 -0.286 0.000 0.940 191 V HN 0.759 nan 8.190 nan 0.000 0.489 192 A N 3.276 125.796 122.820 -0.500 0.000 2.095 192 A HA 0.607 4.928 4.320 0.001 0.000 0.212 192 A C 1.010 178.375 177.584 -0.365 0.000 1.162 192 A CA 0.955 52.673 52.037 -0.532 0.000 0.753 192 A CB -0.025 18.740 19.000 -0.393 0.000 0.840 192 A HN 1.250 nan 8.150 nan 0.000 0.468 193 G N -2.250 106.289 108.800 -0.435 0.000 2.428 193 G HA2 0.502 4.463 3.960 0.001 0.000 0.304 193 G HA3 0.502 4.463 3.960 0.001 0.000 0.304 193 G C -1.617 172.898 174.900 -0.641 0.000 1.303 193 G CA -0.679 44.267 45.100 -0.257 0.000 0.825 193 G HN 0.162 nan 8.290 nan 0.000 0.484 194 F N -0.491 119.459 119.950 0.000 0.000 2.601 194 F HA 0.680 5.207 4.527 0.001 0.000 0.309 194 F C 0.199 175.577 175.800 -0.703 0.000 1.089 194 F CA -0.869 57.004 58.000 -0.212 0.000 0.940 194 F CB 2.527 41.407 39.000 -0.199 0.000 1.273 194 F HN 0.460 nan 8.300 nan 0.000 0.450 195 R N 3.270 123.407 120.500 -0.605 0.000 2.229 195 R HA 0.491 4.832 4.340 0.001 0.000 0.332 195 R C -1.265 174.819 176.300 -0.360 0.000 0.989 195 R CA -0.492 54.955 56.100 -1.088 0.000 0.842 195 R CB 0.454 30.322 30.300 -0.719 0.000 1.119 195 R HN 0.565 nan 8.270 nan 0.000 0.456 196 I N 4.403 124.799 120.570 -0.290 0.000 2.294 196 I HA 0.057 4.227 4.170 0.001 0.000 0.295 196 I C 0.302 176.404 176.117 -0.025 0.000 1.098 196 I CA -0.492 60.742 61.300 -0.109 0.000 1.277 196 I CB 0.218 38.166 38.000 -0.087 0.000 1.434 196 I HN 0.662 nan 8.210 nan 0.000 0.498 197 D N 5.628 126.061 120.400 0.055 0.000 2.443 197 D HA 0.277 4.918 4.640 0.001 0.000 0.239 197 D C 0.980 177.369 176.300 0.149 0.000 1.136 197 D CA 0.416 54.509 54.000 0.154 0.000 0.879 197 D CB 0.811 41.776 40.800 0.275 0.000 1.195 197 D HN 0.774 nan 8.370 nan 0.000 0.443 198 A N 2.807 125.737 122.820 0.183 0.000 2.704 198 A HA -0.246 4.074 4.320 0.001 0.000 0.299 198 A C 1.800 179.480 177.584 0.160 0.000 1.507 198 A CA 1.219 53.401 52.037 0.241 0.000 0.776 198 A CB -2.037 17.148 19.000 0.307 0.000 1.027 198 A HN 0.463 nan 8.150 nan 0.000 0.475 199 S N -0.638 115.070 115.700 0.014 0.000 2.419 199 S HA -0.164 4.306 4.470 0.001 0.000 0.233 199 S C 1.789 176.262 174.600 -0.212 0.000 1.016 199 S CA 1.509 59.649 58.200 -0.101 0.000 0.974 199 S CB -0.131 62.922 63.200 -0.246 0.000 0.786 199 S HN 0.867 nan 8.310 nan 0.000 0.492 200 K N 0.866 121.101 120.400 -0.276 0.000 2.209 200 K HA -0.120 4.201 4.320 0.001 0.000 0.204 200 K C 1.011 177.395 176.600 -0.360 0.000 1.048 200 K CA 1.113 57.197 56.287 -0.337 0.000 0.940 200 K CB -0.097 32.179 32.500 -0.373 0.000 0.729 200 K HN 0.483 nan 8.250 nan 0.000 0.451 201 H N -0.466 118.581 119.070 -0.038 0.000 2.538 201 H HA 0.191 4.747 4.556 0.001 0.000 0.286 201 H C -0.063 175.218 175.328 -0.077 0.000 1.035 201 H CA 0.298 56.310 56.048 -0.059 0.000 1.169 201 H CB 0.048 29.815 29.762 0.009 0.000 1.417 201 H HN 0.174 nan 8.280 nan 0.000 0.567 202 M N -0.363 119.231 119.600 -0.010 0.000 2.572 202 M HA 0.194 4.675 4.480 0.001 0.000 0.299 202 M C -1.190 175.085 176.300 -0.043 0.000 1.205 202 M CA -0.865 54.444 55.300 0.015 0.000 0.876 202 M CB 2.562 35.236 32.600 0.123 0.000 1.728 202 M HN 0.008 nan 8.290 nan 0.000 0.458 203 W N 2.015 123.347 121.300 0.053 0.000 2.253 203 W HA 0.260 4.921 4.660 0.001 0.000 0.322 203 W C -1.821 174.674 176.519 -0.041 0.000 1.342 203 W CA -0.924 56.405 57.345 -0.027 0.000 1.218 203 W CB -0.206 29.222 29.460 -0.054 0.000 1.205 203 W HN 0.472 nan 8.180 nan 0.000 0.551 204 P HA -0.218 nan 4.420 nan 0.000 0.216 204 P C 1.715 179.025 177.300 0.017 0.000 1.150 204 P CA 2.480 65.495 63.100 -0.142 0.000 0.843 204 P CB 0.120 31.572 31.700 -0.413 0.000 0.787 205 G N -0.628 108.209 108.800 0.062 0.000 2.408 205 G HA2 -0.214 3.747 3.960 0.001 0.000 0.217 205 G HA3 -0.214 3.747 3.960 0.001 0.000 0.217 205 G C 1.233 176.166 174.900 0.056 0.000 1.150 205 G CA 0.715 45.841 45.100 0.042 0.000 0.776 205 G HN 0.184 nan 8.290 nan 0.000 0.542 206 D N 0.626 121.092 120.400 0.110 0.000 2.117 206 D HA -0.034 4.607 4.640 0.001 0.000 0.198 206 D C 2.566 178.907 176.300 0.068 0.000 0.982 206 D CA 0.360 54.416 54.000 0.093 0.000 0.828 206 D CB -0.088 40.804 40.800 0.153 0.000 0.967 206 D HN 0.353 nan 8.370 nan 0.000 0.464 207 I N 0.644 121.267 120.570 0.088 0.000 2.179 207 I HA -0.262 3.909 4.170 0.001 0.000 0.242 207 I C 2.316 178.451 176.117 0.030 0.000 1.088 207 I CA 0.908 62.246 61.300 0.063 0.000 1.357 207 I CB -0.116 37.953 38.000 0.116 0.000 1.051 207 I HN -0.095 nan 8.210 nan 0.000 0.409 208 K N 1.686 122.108 120.400 0.037 0.000 2.103 208 K HA -0.151 4.169 4.320 0.001 0.000 0.207 208 K C 2.021 178.623 176.600 0.002 0.000 1.048 208 K CA 1.767 58.065 56.287 0.019 0.000 0.930 208 K CB -0.418 32.096 32.500 0.022 0.000 0.716 208 K HN 0.301 nan 8.250 nan 0.000 0.444 209 A N -0.158 122.665 122.820 0.004 0.000 1.933 209 A HA -0.091 4.230 4.320 0.001 0.000 0.218 209 A C 2.289 179.858 177.584 -0.024 0.000 1.175 209 A CA 1.762 53.795 52.037 -0.007 0.000 0.628 209 A CB -0.612 18.386 19.000 -0.003 0.000 0.814 209 A HN 0.128 nan 8.150 nan 0.000 0.444 210 V N -0.372 119.523 119.914 -0.032 0.000 2.379 210 V HA -0.180 3.941 4.120 0.001 0.000 0.245 210 V C 2.413 178.458 176.094 -0.083 0.000 1.044 210 V CA 1.600 63.860 62.300 -0.067 0.000 1.036 210 V CB -0.695 31.080 31.823 -0.081 0.000 0.664 210 V HN 0.458 nan 8.190 nan 0.000 0.453 211 L N 0.065 121.250 121.223 -0.062 0.000 2.131 211 L HA -0.137 4.203 4.340 0.001 0.000 0.210 211 L C 1.985 178.830 176.870 -0.041 0.000 1.092 211 L CA 1.687 56.493 54.840 -0.057 0.000 0.759 211 L CB -1.108 40.928 42.059 -0.038 0.000 0.903 211 L HN 0.329 nan 8.230 nan 0.000 0.435 212 D N -0.541 119.841 120.400 -0.030 0.000 2.312 212 D HA -0.107 4.533 4.640 0.001 0.000 0.211 212 D C 1.884 178.171 176.300 -0.021 0.000 0.964 212 D CA 0.707 54.697 54.000 -0.017 0.000 0.877 212 D CB 0.115 40.910 40.800 -0.009 0.000 0.924 212 D HN 0.332 nan 8.370 nan 0.000 0.515 213 K N -0.242 120.131 120.400 -0.046 0.000 2.393 213 K HA 0.158 4.479 4.320 0.001 0.000 0.193 213 K C 0.580 177.118 176.600 -0.102 0.000 1.026 213 K CA -0.053 56.197 56.287 -0.061 0.000 1.064 213 K CB 0.646 33.095 32.500 -0.085 0.000 0.833 213 K HN 0.078 nan 8.250 nan 0.000 0.521 214 L N 1.564 122.730 121.223 -0.095 0.000 2.397 214 L HA 0.125 4.465 4.340 0.001 0.000 0.271 214 L C 0.533 177.397 176.870 -0.009 0.000 1.148 214 L CA -0.282 54.487 54.840 -0.119 0.000 0.825 214 L CB 0.327 42.348 42.059 -0.063 0.000 1.117 214 L HN 0.194 nan 8.230 nan 0.000 0.456 215 H N 0.958 120.022 119.070 -0.009 0.000 2.597 215 H HA 0.149 4.706 4.556 0.001 0.000 0.370 215 H C -0.091 175.230 175.328 -0.012 0.000 1.281 215 H CA -0.991 55.052 56.048 -0.008 0.000 1.422 215 H CB 0.649 30.410 29.762 -0.003 0.000 1.524 215 H HN 0.521 nan 8.280 nan 0.000 0.607 216 N N 0.358 119.134 118.700 0.128 0.000 2.424 216 N HA 0.085 4.826 4.740 0.001 0.000 0.257 216 N C -0.180 175.345 175.510 0.025 0.000 1.250 216 N CA -0.297 52.779 53.050 0.044 0.000 0.946 216 N CB 0.534 39.038 38.487 0.027 0.000 1.175 216 N HN 0.308 nan 8.380 nan 0.000 0.477 217 L N 0.923 122.112 121.223 -0.056 0.000 2.476 217 L HA 0.080 4.421 4.340 0.001 0.000 0.264 217 L C 1.225 178.141 176.870 0.076 0.000 1.224 217 L CA -0.350 54.411 54.840 -0.131 0.000 0.821 217 L CB 0.135 41.849 42.059 -0.575 0.000 1.101 217 L HN 0.469 nan 8.230 nan 0.000 0.488 218 N N 0.920 119.747 118.700 0.211 0.000 2.440 218 N HA -0.071 4.669 4.740 0.001 0.000 0.265 218 N C 1.012 176.706 175.510 0.306 0.000 1.239 218 N CA 0.330 53.552 53.050 0.287 0.000 0.909 218 N CB 1.112 39.854 38.487 0.424 0.000 1.066 218 N HN 0.697 nan 8.380 nan 0.000 0.474 219 T N 0.557 115.182 114.554 0.118 0.000 3.098 219 T HA -0.030 4.320 4.350 0.001 0.000 0.266 219 T C 1.122 175.782 174.700 -0.066 0.000 1.145 219 T CA 0.626 62.758 62.100 0.053 0.000 1.092 219 T CB 0.022 68.892 68.868 0.002 0.000 0.908 219 T HN 0.378 nan 8.240 nan 0.000 0.526 220 N N 0.011 118.587 118.700 -0.206 0.000 2.457 220 N HA 0.026 4.767 4.740 0.001 0.000 0.180 220 N C 0.727 175.814 175.510 -0.705 0.000 1.050 220 N CA 0.776 53.484 53.050 -0.570 0.000 0.906 220 N CB -0.060 37.827 38.487 -0.999 0.000 0.968 220 N HN 0.651 nan 8.380 nan 0.000 0.445 221 W N -1.132 120.090 121.300 -0.131 0.000 2.520 221 W HA 0.293 4.954 4.660 0.001 0.000 0.272 221 W C -0.399 175.751 176.519 -0.616 0.000 0.984 221 W CA -0.235 56.863 57.345 -0.412 0.000 1.314 221 W CB 0.154 29.238 29.460 -0.628 0.000 0.945 221 W HN -0.187 nan 8.180 nan 0.000 0.596 222 F N 1.023 121.069 119.950 0.161 0.000 2.538 222 F HA 0.515 5.042 4.527 0.001 0.000 0.325 222 F C -1.986 173.837 175.800 0.039 0.000 1.066 222 F CA -2.592 55.460 58.000 0.087 0.000 0.946 222 F CB 0.204 39.251 39.000 0.079 0.000 1.199 222 F HN -0.476 nan 8.300 nan 0.000 0.473 223 P HA 0.182 nan 4.420 nan 0.000 0.270 223 P C -0.869 176.495 177.300 0.107 0.000 1.223 223 P CA -0.325 62.842 63.100 0.112 0.000 0.785 223 P CB 0.471 32.226 31.700 0.091 0.000 0.923 224 A N 1.839 124.696 122.820 0.062 0.000 2.483 224 A HA 0.427 4.748 4.320 0.001 0.000 0.238 224 A C 1.435 179.044 177.584 0.043 0.000 1.070 224 A CA 0.583 52.647 52.037 0.046 0.000 0.770 224 A CB -1.328 17.687 19.000 0.024 0.000 1.008 224 A HN 0.888 nan 8.150 nan 0.000 0.497 225 G N 1.241 110.062 108.800 0.034 0.000 2.153 225 G HA2 -0.203 3.757 3.960 0.001 0.000 0.252 225 G HA3 -0.203 3.757 3.960 0.001 0.000 0.252 225 G C 0.384 175.301 174.900 0.027 0.000 0.994 225 G CA 0.447 45.564 45.100 0.027 0.000 0.698 225 G HN 1.154 nan 8.290 nan 0.000 0.521 226 S N 1.051 116.770 115.700 0.032 0.000 2.505 226 S HA 0.553 5.024 4.470 0.001 0.000 0.276 226 S C 0.689 175.270 174.600 -0.033 0.000 1.274 226 S CA -0.509 57.698 58.200 0.011 0.000 1.053 226 S CB 0.961 64.181 63.200 0.033 0.000 0.919 226 S HN 0.410 nan 8.310 nan 0.000 0.490 227 R N 3.496 123.980 120.500 -0.027 0.000 2.428 227 R HA 0.430 4.771 4.340 0.001 0.000 0.294 227 R C -2.587 173.681 176.300 -0.054 0.000 1.000 227 R CA -2.673 53.408 56.100 -0.031 0.000 0.960 227 R CB -0.106 30.186 30.300 -0.013 0.000 1.076 227 R HN 0.396 nan 8.270 nan 0.000 0.475 228 P HA -0.015 nan 4.420 nan 0.000 0.268 228 P C -0.347 176.992 177.300 0.066 0.000 1.205 228 P CA -0.222 62.847 63.100 -0.050 0.000 0.771 228 P CB 0.375 32.068 31.700 -0.013 0.000 0.858 229 F N 4.439 124.359 119.950 -0.051 0.000 2.495 229 F HA 0.250 4.777 4.527 0.001 0.000 0.365 229 F C -0.229 175.614 175.800 0.071 0.000 1.090 229 F CA -0.583 57.421 58.000 0.007 0.000 1.235 229 F CB -0.008 39.036 39.000 0.075 0.000 1.119 229 F HN 0.111 nan 8.300 nan 0.000 0.562 230 I N 8.579 128.908 120.570 -0.403 0.000 2.447 230 I HA 0.269 4.440 4.170 0.001 0.000 0.287 230 I C -1.078 174.758 176.117 -0.469 0.000 1.023 230 I CA -0.671 60.406 61.300 -0.372 0.000 1.083 230 I CB 1.198 39.098 38.000 -0.168 0.000 1.245 230 I HN 0.514 nan 8.210 nan 0.000 0.434 231 F N 3.799 123.420 119.950 -0.549 0.000 2.539 231 F HA 0.661 5.188 4.527 0.001 0.000 0.328 231 F C -0.488 175.229 175.800 -0.139 0.000 1.148 231 F CA -0.922 56.859 58.000 -0.364 0.000 0.940 231 F CB 0.916 39.660 39.000 -0.427 0.000 1.194 231 F HN 0.368 nan 8.300 nan 0.000 0.438 232 Q N 2.550 122.368 119.800 0.030 0.000 2.256 232 Q HA 0.207 4.548 4.340 0.001 0.000 0.254 232 Q C -0.436 175.595 176.000 0.052 0.000 0.916 232 Q CA -0.625 55.169 55.803 -0.014 0.000 0.932 232 Q CB 2.015 30.741 28.738 -0.020 0.000 1.207 232 Q HN 0.711 nan 8.270 nan 0.000 0.426 233 E N 3.098 123.326 120.200 0.045 0.000 2.003 233 E HA 0.171 4.522 4.350 0.001 0.000 0.279 233 E C -1.355 175.282 176.600 0.062 0.000 1.132 233 E CA -0.219 56.280 56.400 0.165 0.000 0.888 233 E CB 0.473 30.287 29.700 0.191 0.000 1.056 233 E HN 0.325 nan 8.360 nan 0.000 0.399 234 V N 7.312 127.285 119.914 0.099 0.000 2.409 234 V HA 0.281 4.401 4.120 0.001 0.000 0.290 234 V C 0.166 176.299 176.094 0.064 0.000 1.017 234 V CA -0.657 61.600 62.300 -0.072 0.000 0.841 234 V CB 1.384 33.047 31.823 -0.268 0.000 1.003 234 V HN 0.623 nan 8.190 nan 0.000 0.426 235 I N 4.360 124.847 120.570 -0.139 0.000 2.347 235 I HA 0.274 4.445 4.170 0.001 0.000 0.294 235 I C -0.290 175.750 176.117 -0.129 0.000 1.090 235 I CA 0.432 61.535 61.300 -0.329 0.000 1.314 235 I CB 0.484 38.152 38.000 -0.554 0.000 1.423 235 I HN 0.584 nan 8.210 nan 0.000 0.503 236 D N 7.490 127.894 120.400 0.007 0.000 2.358 236 D HA 0.213 4.854 4.640 0.001 0.000 0.253 236 D C -0.002 176.335 176.300 0.061 0.000 1.288 236 D CA -0.391 53.624 54.000 0.025 0.000 0.950 236 D CB 1.153 41.984 40.800 0.053 0.000 1.197 236 D HN 0.194 nan 8.370 nan 0.000 0.550 237 L N 2.425 123.664 121.223 0.028 0.000 2.667 237 L HA 0.483 4.824 4.340 0.001 0.000 0.232 237 L C 1.240 178.140 176.870 0.051 0.000 1.138 237 L CA 0.544 55.418 54.840 0.056 0.000 0.921 237 L CB -0.913 41.170 42.059 0.039 0.000 1.180 237 L HN 0.716 nan 8.230 nan 0.000 0.487 238 G N -0.721 108.101 108.800 0.038 0.000 2.707 238 G HA2 0.166 4.127 3.960 0.001 0.000 0.686 238 G HA3 0.166 4.127 3.960 0.001 0.000 0.686 238 G C 0.639 175.551 174.900 0.019 0.000 1.315 238 G CA -0.386 44.735 45.100 0.034 0.000 0.832 238 G HN 0.627 nan 8.290 nan 0.000 0.573 239 G N -0.952 107.859 108.800 0.019 0.000 2.179 239 G HA2 -0.126 3.835 3.960 0.001 0.000 0.260 239 G HA3 -0.126 3.835 3.960 0.001 0.000 0.260 239 G C 0.260 175.172 174.900 0.020 0.000 0.977 239 G CA 1.769 46.879 45.100 0.016 0.000 0.641 239 G HN 1.236 nan 8.290 nan 0.000 0.533 240 E N -1.154 119.060 120.200 0.022 0.000 2.355 240 E HA 0.714 5.064 4.350 0.001 0.000 0.261 240 E C 1.325 177.944 176.600 0.031 0.000 0.943 240 E CA -0.479 55.944 56.400 0.038 0.000 0.806 240 E CB 1.365 31.093 29.700 0.046 0.000 1.286 240 E HN 0.357 nan 8.360 nan 0.000 0.424 241 A N 1.018 123.858 122.820 0.034 0.000 1.930 241 A HA 0.010 4.331 4.320 0.001 0.000 0.217 241 A C 0.973 178.554 177.584 -0.005 0.000 1.175 241 A CA 0.877 52.922 52.037 0.014 0.000 0.627 241 A CB -0.337 18.669 19.000 0.011 0.000 0.815 241 A HN 0.471 nan 8.150 nan 0.000 0.443 242 I N 0.453 121.018 120.570 -0.008 0.000 2.395 242 I HA 0.208 4.379 4.170 0.001 0.000 0.289 242 I C -0.113 176.013 176.117 0.014 0.000 1.023 242 I CA -0.141 61.153 61.300 -0.011 0.000 1.350 242 I CB 1.301 39.286 38.000 -0.025 0.000 1.409 242 I HN 0.138 nan 8.210 nan 0.000 0.507 243 K N 3.540 123.950 120.400 0.017 0.000 2.267 243 K HA 0.385 4.705 4.320 0.001 0.000 0.246 243 K C 0.590 177.206 176.600 0.027 0.000 0.954 243 K CA -0.679 55.612 56.287 0.007 0.000 0.824 243 K CB 2.028 34.510 32.500 -0.030 0.000 1.167 243 K HN 0.447 nan 8.250 nan 0.000 0.431 244 S N 0.466 116.169 115.700 0.005 0.000 2.400 244 S HA -0.175 4.296 4.470 0.001 0.000 0.232 244 S C 1.840 176.220 174.600 -0.367 0.000 1.025 244 S CA 1.942 60.143 58.200 0.001 0.000 0.993 244 S CB -0.212 63.050 63.200 0.102 0.000 0.808 244 S HN 0.790 nan 8.310 nan 0.000 0.478 245 S N 1.854 117.130 115.700 -0.707 0.000 2.419 245 S HA -0.135 4.336 4.470 0.001 0.000 0.235 245 S C 1.425 175.617 174.600 -0.680 0.000 1.019 245 S CA 0.935 58.321 58.200 -1.356 0.000 0.982 245 S CB -0.515 62.302 63.200 -0.640 0.000 0.789 245 S HN 0.599 nan 8.310 nan 0.000 0.490 246 E N 0.044 120.047 120.200 -0.329 0.000 2.333 246 E HA -0.099 4.252 4.350 0.001 0.000 0.198 246 E C 0.684 177.051 176.600 -0.388 0.000 1.007 246 E CA 1.052 57.265 56.400 -0.311 0.000 0.845 246 E CB -0.231 29.256 29.700 -0.355 0.000 0.766 246 E HN 0.795 nan 8.360 nan 0.000 0.507 247 Y N -1.744 118.485 120.300 -0.118 0.000 2.467 247 Y HA 0.101 4.652 4.550 0.001 0.000 0.250 247 Y C 1.246 177.282 175.900 0.226 0.000 1.155 247 Y CA -0.420 57.706 58.100 0.043 0.000 1.249 247 Y CB 0.299 38.793 38.460 0.056 0.000 1.146 247 Y HN -0.012 nan 8.280 nan 0.000 0.524 248 F N 0.108 120.184 119.950 0.210 0.000 2.250 248 F HA -0.116 4.411 4.527 0.001 0.000 0.301 248 F C 2.303 178.257 175.800 0.257 0.000 1.077 248 F CA 1.112 59.241 58.000 0.215 0.000 1.348 248 F CB -1.245 37.839 39.000 0.140 0.000 1.040 248 F HN 0.121 nan 8.300 nan 0.000 0.509 249 G N -0.636 108.379 108.800 0.359 0.000 2.534 249 G HA2 -0.199 3.761 3.960 0.001 0.000 0.217 249 G HA3 -0.199 3.761 3.960 0.001 0.000 0.217 249 G C 1.563 176.584 174.900 0.201 0.000 1.128 249 G CA 0.486 45.745 45.100 0.265 0.000 0.784 249 G HN 0.264 nan 8.290 nan 0.000 0.542 250 N N 0.393 119.202 118.700 0.181 0.000 2.409 250 N HA 0.236 4.977 4.740 0.001 0.000 0.174 250 N C 1.154 176.641 175.510 -0.039 0.000 1.037 250 N CA 1.028 54.124 53.050 0.077 0.000 0.898 250 N CB 0.876 39.432 38.487 0.116 0.000 1.010 250 N HN 0.452 nan 8.380 nan 0.000 0.445 251 G N -0.408 108.409 108.800 0.029 0.000 2.368 251 G HA2 0.097 4.057 3.960 0.001 0.000 0.269 251 G HA3 0.097 4.057 3.960 0.001 0.000 0.269 251 G C -1.302 173.730 174.900 0.220 0.000 1.291 251 G CA -0.920 44.083 45.100 -0.161 0.000 0.903 251 G HN -0.037 nan 8.290 nan 0.000 0.483 252 R N -1.051 119.548 120.500 0.165 0.000 2.707 252 R HA 0.580 4.920 4.340 0.001 0.000 0.270 252 R C -0.505 175.928 176.300 0.222 0.000 1.083 252 R CA -0.208 56.029 56.100 0.228 0.000 1.182 252 R CB 1.048 31.461 30.300 0.188 0.000 1.084 252 R HN 0.358 nan 8.270 nan 0.000 0.528 253 V N 0.244 120.307 119.914 0.249 0.000 2.876 253 V HA 0.192 4.313 4.120 0.001 0.000 0.312 253 V C -0.016 176.215 176.094 0.229 0.000 1.085 253 V CA -1.073 61.384 62.300 0.262 0.000 0.945 253 V CB 2.134 34.176 31.823 0.365 0.000 1.017 253 V HN 0.951 nan 8.190 nan 0.000 0.428 254 T N 0.007 114.710 114.554 0.247 0.000 2.834 254 T HA 0.325 4.676 4.350 0.001 0.000 0.298 254 T C -0.151 174.650 174.700 0.168 0.000 0.966 254 T CA -0.264 61.977 62.100 0.233 0.000 1.141 254 T CB 0.889 69.917 68.868 0.268 0.000 0.905 254 T HN 0.696 nan 8.240 nan 0.000 0.535 255 E N 2.520 122.708 120.200 -0.020 0.000 1.986 255 E HA 0.310 4.661 4.350 0.001 0.000 0.264 255 E C -0.351 176.062 176.600 -0.312 0.000 1.023 255 E CA -0.991 55.352 56.400 -0.094 0.000 0.834 255 E CB -0.572 29.054 29.700 -0.124 0.000 1.111 255 E HN 0.671 nan 8.360 nan 0.000 0.417 256 F N 2.427 122.327 119.950 -0.084 0.000 2.502 256 F HA 0.011 4.539 4.527 0.001 0.000 0.298 256 F C 1.715 177.427 175.800 -0.147 0.000 1.111 256 F CA 0.738 58.682 58.000 -0.092 0.000 1.445 256 F CB 0.168 39.204 39.000 0.061 0.000 1.081 256 F HN 0.380 nan 8.300 nan 0.000 0.558 257 K N -0.977 119.390 120.400 -0.056 0.000 2.211 257 K HA -0.205 4.116 4.320 0.001 0.000 0.203 257 K C 1.776 178.170 176.600 -0.342 0.000 1.050 257 K CA 1.091 57.311 56.287 -0.111 0.000 0.945 257 K CB -0.392 32.073 32.500 -0.058 0.000 0.732 257 K HN 0.240 nan 8.250 nan 0.000 0.451 258 Y N 1.357 121.165 120.300 -0.820 0.000 2.030 258 Y HA -0.258 4.293 4.550 0.001 0.000 0.274 258 Y C 2.395 178.156 175.900 -0.230 0.000 1.153 258 Y CA 2.096 59.732 58.100 -0.774 0.000 1.115 258 Y CB -0.750 37.275 38.460 -0.725 0.000 0.969 258 Y HN 0.054 nan 8.280 nan 0.000 0.488 259 G N -0.859 107.912 108.800 -0.048 0.000 2.422 259 G HA2 -0.183 3.778 3.960 0.001 0.000 0.218 259 G HA3 -0.183 3.778 3.960 0.001 0.000 0.218 259 G C 1.753 176.667 174.900 0.023 0.000 1.140 259 G CA 0.824 45.927 45.100 0.005 0.000 0.775 259 G HN 0.625 nan 8.290 nan 0.000 0.545 260 A N 0.869 123.715 122.820 0.043 0.000 1.898 260 A HA 0.037 4.358 4.320 0.001 0.000 0.216 260 A C 2.306 179.943 177.584 0.088 0.000 1.181 260 A CA 1.840 53.928 52.037 0.085 0.000 0.620 260 A CB -0.266 18.804 19.000 0.117 0.000 0.819 260 A HN 0.367 nan 8.150 nan 0.000 0.442 261 K N -0.608 119.867 120.400 0.124 0.000 2.116 261 K HA 0.153 4.473 4.320 0.001 0.000 0.203 261 K C 1.939 178.561 176.600 0.037 0.000 1.052 261 K CA 0.709 57.118 56.287 0.203 0.000 0.952 261 K CB -0.243 32.516 32.500 0.432 0.000 0.729 261 K HN 0.420 nan 8.250 nan 0.000 0.446 262 L N 0.644 121.831 121.223 -0.060 0.000 2.046 262 L HA -0.130 4.211 4.340 0.001 0.000 0.208 262 L C 2.290 178.970 176.870 -0.316 0.000 1.077 262 L CA 1.566 56.167 54.840 -0.397 0.000 0.747 262 L CB -0.725 41.086 42.059 -0.413 0.000 0.896 262 L HN 0.323 nan 8.230 nan 0.000 0.432 263 G N -1.204 107.488 108.800 -0.179 0.000 2.440 263 G HA2 -0.272 3.688 3.960 0.001 0.000 0.218 263 G HA3 -0.272 3.688 3.960 0.001 0.000 0.218 263 G C 1.448 176.172 174.900 -0.293 0.000 1.154 263 G CA 1.252 46.230 45.100 -0.203 0.000 0.767 263 G HN 0.345 nan 8.290 nan 0.000 0.552 264 T N 0.771 115.220 114.554 -0.175 0.000 2.746 264 T HA -0.103 4.248 4.350 0.001 0.000 0.267 264 T C 2.535 177.149 174.700 -0.143 0.000 1.039 264 T CA 1.223 63.252 62.100 -0.118 0.000 1.142 264 T CB -0.240 68.688 68.868 0.099 0.000 0.866 264 T HN 0.070 nan 8.240 nan 0.000 0.444 265 V N 1.131 120.948 119.914 -0.162 0.000 2.307 265 V HA -0.128 3.993 4.120 0.001 0.000 0.245 265 V C 2.672 178.585 176.094 -0.302 0.000 1.045 265 V CA 1.306 63.481 62.300 -0.209 0.000 1.024 265 V CB -0.645 30.977 31.823 -0.335 0.000 0.651 265 V HN 0.306 nan 8.190 nan 0.000 0.449 266 V N -0.093 119.596 119.914 -0.375 0.000 2.427 266 V HA -0.212 3.908 4.120 0.001 0.000 0.248 266 V C 2.443 178.350 176.094 -0.311 0.000 1.051 266 V CA 1.834 63.920 62.300 -0.357 0.000 1.048 266 V CB -0.809 30.801 31.823 -0.355 0.000 0.666 266 V HN 0.473 nan 8.190 nan 0.000 0.456 267 R N -0.098 120.156 120.500 -0.410 0.000 2.276 267 R HA 0.034 4.375 4.340 0.001 0.000 0.203 267 R C 0.650 176.767 176.300 -0.306 0.000 1.017 267 R CA 0.148 55.934 56.100 -0.524 0.000 1.010 267 R CB -0.105 29.465 30.300 -1.217 0.000 0.900 267 R HN 0.432 nan 8.270 nan 0.000 0.469 268 K N -0.624 119.662 120.400 -0.191 0.000 3.125 268 K HA -0.162 4.158 4.320 0.001 0.000 0.268 268 K C -1.000 175.717 176.600 0.195 0.000 1.078 268 K CA 0.421 56.693 56.287 -0.024 0.000 0.775 268 K CB -1.026 31.457 32.500 -0.029 0.000 1.253 268 K HN 0.137 nan 8.250 nan 0.000 0.486 269 W N 0.369 121.657 121.300 -0.020 0.000 2.332 269 W HA 0.275 4.935 4.660 0.001 0.000 0.351 269 W C 1.210 177.739 176.519 0.017 0.000 1.195 269 W CA -0.899 56.446 57.345 -0.001 0.000 1.334 269 W CB 0.730 30.193 29.460 0.005 0.000 1.206 269 W HN 0.180 nan 8.180 nan 0.000 0.637 270 S N 0.668 116.508 115.700 0.233 0.000 3.521 270 S HA -0.116 4.354 4.470 0.001 0.000 0.362 270 S C 1.034 175.712 174.600 0.130 0.000 1.044 270 S CA 1.589 59.874 58.200 0.141 0.000 1.091 270 S CB -1.617 61.673 63.200 0.152 0.000 0.908 270 S HN 1.612 nan 8.310 nan 0.000 0.473 271 G N -0.407 108.465 108.800 0.121 0.000 2.168 271 G HA2 -0.312 3.649 3.960 0.001 0.000 0.263 271 G HA3 -0.312 3.649 3.960 0.001 0.000 0.263 271 G C -0.203 174.780 174.900 0.137 0.000 0.977 271 G CA 0.480 45.648 45.100 0.113 0.000 0.659 271 G HN 0.636 nan 8.290 nan 0.000 0.533 272 E N 0.527 120.806 120.200 0.133 0.000 2.366 272 E HA 0.507 4.857 4.350 0.001 0.000 0.266 272 E C 0.529 177.051 176.600 -0.130 0.000 1.051 272 E CA 0.295 56.769 56.400 0.122 0.000 0.884 272 E CB 0.940 30.739 29.700 0.164 0.000 1.006 272 E HN 0.543 nan 8.360 nan 0.000 0.417 273 K N 1.599 121.737 120.400 -0.437 0.000 2.435 273 K HA 0.368 4.689 4.320 0.001 0.000 0.251 273 K C 1.040 177.394 176.600 -0.411 0.000 0.954 273 K CA -0.682 55.283 56.287 -0.538 0.000 0.820 273 K CB 1.769 33.762 32.500 -0.845 0.000 1.292 273 K HN 0.249 nan 8.250 nan 0.000 0.436 274 M N 0.858 120.265 119.600 -0.321 0.000 2.374 274 M HA -0.134 4.347 4.480 0.001 0.000 0.264 274 M C 1.711 177.967 176.300 -0.074 0.000 1.067 274 M CA 1.536 56.666 55.300 -0.284 0.000 1.103 274 M CB -0.117 32.289 32.600 -0.324 0.000 1.402 274 M HN 0.744 nan 8.290 nan 0.000 0.444 275 S N -0.465 115.201 115.700 -0.056 0.000 2.474 275 S HA -0.138 4.333 4.470 0.001 0.000 0.235 275 S C 1.432 176.249 174.600 0.362 0.000 0.997 275 S CA 0.716 59.037 58.200 0.201 0.000 0.949 275 S CB -0.653 62.590 63.200 0.073 0.000 0.766 275 S HN 0.434 nan 8.310 nan 0.000 0.517 276 Y N 1.646 122.027 120.300 0.135 0.000 2.571 276 Y HA 0.313 4.864 4.550 0.001 0.000 0.294 276 Y C 1.721 177.790 175.900 0.282 0.000 1.141 276 Y CA -0.759 57.445 58.100 0.174 0.000 1.308 276 Y CB -0.815 37.770 38.460 0.209 0.000 1.002 276 Y HN 0.303 nan 8.280 nan 0.000 0.551 277 L N -0.055 121.310 121.223 0.237 0.000 2.650 277 L HA -0.079 4.262 4.340 0.001 0.000 0.235 277 L C 2.293 179.049 176.870 -0.190 0.000 1.149 277 L CA 0.501 55.316 54.840 -0.041 0.000 0.887 277 L CB -0.345 41.419 42.059 -0.493 0.000 1.021 277 L HN 0.093 nan 8.230 nan 0.000 0.441 278 K N 2.075 122.199 120.400 -0.461 0.000 2.063 278 K HA -0.208 4.113 4.320 0.001 0.000 0.208 278 K C 1.236 177.512 176.600 -0.540 0.000 1.048 278 K CA 1.985 57.606 56.287 -1.110 0.000 0.928 278 K CB -0.043 31.834 32.500 -1.039 0.000 0.713 278 K HN 0.624 nan 8.250 nan 0.000 0.442 279 N N -0.696 117.891 118.700 -0.188 0.000 2.320 279 N HA -0.037 4.704 4.740 0.001 0.000 0.237 279 N C -0.217 175.311 175.510 0.030 0.000 1.129 279 N CA -0.708 52.281 53.050 -0.102 0.000 0.854 279 N CB -0.065 38.380 38.487 -0.070 0.000 1.083 279 N HN 0.194 nan 8.380 nan 0.000 0.504 280 W N 1.799 122.890 121.300 -0.347 0.000 2.314 280 W HA 0.188 4.849 4.660 0.001 0.000 0.339 280 W C 0.575 176.764 176.519 -0.550 0.000 1.293 280 W CA 1.999 58.925 57.345 -0.698 0.000 1.288 280 W CB 0.541 29.505 29.460 -0.826 0.000 1.186 280 W HN 0.499 nan 8.180 nan 0.000 0.566 281 G N 3.832 111.885 108.800 -1.245 0.000 2.348 281 G HA2 -0.272 3.688 3.960 0.001 0.000 0.199 281 G HA3 -0.272 3.688 3.960 0.001 0.000 0.199 281 G C 0.436 174.863 174.900 -0.788 0.000 1.235 281 G CA 0.044 44.492 45.100 -1.086 0.000 1.264 281 G HN 0.515 nan 8.290 nan 0.000 0.543 282 E N 0.788 120.814 120.200 -0.290 0.000 2.265 282 E HA 0.039 4.389 4.350 0.001 0.000 0.196 282 E C 2.436 178.919 176.600 -0.195 0.000 0.996 282 E CA 0.974 57.297 56.400 -0.128 0.000 0.832 282 E CB -0.317 29.397 29.700 0.024 0.000 0.756 282 E HN 0.657 nan 8.360 nan 0.000 0.491 283 G N 0.095 108.772 108.800 -0.206 0.000 2.471 283 G HA2 -0.204 3.757 3.960 0.001 0.000 0.219 283 G HA3 -0.204 3.757 3.960 0.001 0.000 0.219 283 G C 0.559 175.316 174.900 -0.238 0.000 1.125 283 G CA 0.081 45.080 45.100 -0.167 0.000 0.775 283 G HN 0.256 nan 8.290 nan 0.000 0.548 284 W N -0.003 120.870 121.300 -0.711 0.000 3.353 284 W HA 0.438 5.098 4.660 0.000 0.000 0.304 284 W C 1.616 177.700 176.519 -0.725 0.000 1.273 284 W CA -0.133 56.710 57.345 -0.836 0.000 1.773 284 W CB 0.157 28.799 29.460 -1.363 0.000 1.095 284 W HN 0.292 nan 8.180 nan 0.000 0.676 285 G N -0.719 107.893 108.800 -0.312 0.000 2.132 285 G HA2 -0.275 3.685 3.960 0.001 0.000 0.234 285 G HA3 -0.275 3.685 3.960 0.001 0.000 0.234 285 G C -0.031 174.947 174.900 0.129 0.000 0.989 285 G CA -0.608 44.443 45.100 -0.083 0.000 0.676 285 G HN -0.017 nan 8.290 nan 0.000 0.522 286 F N 1.278 121.183 119.950 -0.076 0.000 2.378 286 F HA 0.690 5.217 4.527 0.001 0.000 0.319 286 F C 1.557 177.414 175.800 0.095 0.000 1.155 286 F CA -1.529 56.444 58.000 -0.046 0.000 1.157 286 F CB 0.393 39.221 39.000 -0.286 0.000 1.252 286 F HN 0.320 nan 8.300 nan 0.000 0.550 287 M N 1.165 121.007 119.600 0.404 0.000 2.113 287 M HA 0.364 4.845 4.480 0.001 0.000 0.288 287 M C -2.541 173.918 176.300 0.266 0.000 1.225 287 M CA -1.351 54.166 55.300 0.361 0.000 1.148 287 M CB -0.598 32.267 32.600 0.442 0.000 1.388 287 M HN 0.169 nan 8.290 nan 0.000 0.469 288 P HA 0.023 nan 4.420 nan 0.000 0.267 288 P C 0.189 177.430 177.300 -0.098 0.000 1.200 288 P CA 0.070 63.156 63.100 -0.023 0.000 0.772 288 P CB 0.818 32.406 31.700 -0.187 0.000 0.855 289 S N 2.271 117.903 115.700 -0.114 0.000 2.370 289 S HA -0.199 4.272 4.470 0.001 0.000 0.226 289 S C 1.273 175.668 174.600 -0.342 0.000 1.033 289 S CA 2.033 59.971 58.200 -0.437 0.000 1.011 289 S CB -0.962 62.083 63.200 -0.258 0.000 0.852 289 S HN 0.638 nan 8.310 nan 0.000 0.457 290 D N -0.247 120.013 120.400 -0.232 0.000 2.378 290 D HA -0.023 4.617 4.640 0.001 0.000 0.227 290 D C 1.515 177.687 176.300 -0.213 0.000 1.012 290 D CA 0.356 54.235 54.000 -0.202 0.000 0.905 290 D CB -0.203 40.476 40.800 -0.202 0.000 0.895 290 D HN 0.280 nan 8.370 nan 0.000 0.532 291 R N -0.235 120.110 120.500 -0.259 0.000 2.446 291 R HA 0.437 4.777 4.340 0.001 0.000 0.254 291 R C 0.264 176.521 176.300 -0.072 0.000 0.918 291 R CA 0.043 56.005 56.100 -0.230 0.000 1.069 291 R CB 0.566 30.468 30.300 -0.664 0.000 1.194 291 R HN 0.202 nan 8.270 nan 0.000 0.534 292 A N 1.337 124.086 122.820 -0.118 0.000 2.303 292 A HA 0.600 4.920 4.320 0.001 0.000 0.317 292 A C -0.799 176.761 177.584 -0.041 0.000 1.149 292 A CA -0.484 51.511 52.037 -0.069 0.000 0.822 292 A CB 0.844 19.761 19.000 -0.138 0.000 1.131 292 A HN 0.187 nan 8.150 nan 0.000 0.493 293 L N 3.625 124.856 121.223 0.013 0.000 2.319 293 L HA 0.647 4.987 4.340 0.001 0.000 0.281 293 L C -0.356 176.498 176.870 -0.027 0.000 1.005 293 L CA -0.506 54.350 54.840 0.027 0.000 0.828 293 L CB 1.581 43.644 42.059 0.006 0.000 1.227 293 L HN 0.695 nan 8.230 nan 0.000 0.415 294 V N 2.049 121.861 119.914 -0.170 0.000 2.850 294 V HA 0.829 4.949 4.120 0.001 0.000 0.315 294 V C -0.644 175.317 176.094 -0.221 0.000 1.064 294 V CA -0.617 61.395 62.300 -0.480 0.000 0.979 294 V CB 1.605 32.830 31.823 -0.996 0.000 1.039 294 V HN 0.770 nan 8.190 nan 0.000 0.452 295 F N -0.785 118.955 119.950 -0.350 0.000 2.744 295 F HA 0.732 5.260 4.527 0.001 0.000 0.311 295 F C -0.029 175.777 175.800 0.009 0.000 1.144 295 F CA -0.913 56.996 58.000 -0.151 0.000 0.938 295 F CB 0.636 39.558 39.000 -0.129 0.000 1.292 295 F HN 0.246 nan 8.300 nan 0.000 0.444 296 V N 0.102 120.138 119.914 0.204 0.000 2.331 296 V HA 0.030 4.150 4.120 0.001 0.000 0.242 296 V C 0.231 176.509 176.094 0.306 0.000 1.034 296 V CA 2.011 64.434 62.300 0.205 0.000 1.027 296 V CB -0.509 31.412 31.823 0.163 0.000 0.667 296 V HN 0.924 nan 8.190 nan 0.000 0.457 297 D N -0.387 120.280 120.400 0.445 0.000 2.552 297 D HA 0.300 4.941 4.640 0.001 0.000 0.239 297 D C -0.998 175.519 176.300 0.362 0.000 1.139 297 D CA -0.633 53.616 54.000 0.415 0.000 0.914 297 D CB 1.869 42.860 40.800 0.320 0.000 1.461 297 D HN 0.294 nan 8.370 nan 0.000 0.462 298 N N -1.532 117.285 118.700 0.195 0.000 2.701 298 N HA 0.086 4.827 4.740 0.001 0.000 0.290 298 N C 1.184 176.626 175.510 -0.115 0.000 1.338 298 N CA -0.484 52.545 53.050 -0.036 0.000 0.799 298 N CB 0.479 38.782 38.487 -0.306 0.000 1.491 298 N HN 0.614 nan 8.380 nan 0.000 0.540 299 H N -0.971 117.941 119.070 -0.264 0.000 2.457 299 H HA -0.043 4.514 4.556 0.001 0.000 0.297 299 H C -0.147 174.816 175.328 -0.608 0.000 1.092 299 H CA 1.326 56.959 56.048 -0.692 0.000 1.309 299 H CB -0.050 29.020 29.762 -1.152 0.000 1.382 299 H HN 0.489 nan 8.280 nan 0.000 0.535 300 D N 1.598 121.455 120.400 -0.905 0.000 2.113 300 D HA -0.135 4.505 4.640 0.001 0.000 0.206 300 D C 2.006 178.227 176.300 -0.132 0.000 0.979 300 D CA 1.510 55.207 54.000 -0.505 0.000 0.862 300 D CB -0.342 40.246 40.800 -0.353 0.000 1.013 300 D HN 0.563 nan 8.370 nan 0.000 0.455 301 N N 1.296 119.991 118.700 -0.008 0.000 2.520 301 N HA -0.182 4.558 4.740 0.001 0.000 0.185 301 N C 1.473 177.059 175.510 0.127 0.000 1.068 301 N CA 0.841 53.957 53.050 0.110 0.000 0.911 301 N CB -0.764 37.844 38.487 0.201 0.000 0.961 301 N HN 0.396 nan 8.380 nan 0.000 0.446 302 Q N 0.441 120.290 119.800 0.081 0.000 2.436 302 Q HA -0.052 4.288 4.340 0.001 0.000 0.209 302 Q C 0.860 177.020 176.000 0.266 0.000 0.965 302 Q CA 0.721 56.622 55.803 0.163 0.000 0.910 302 Q CB -0.119 28.707 28.738 0.147 0.000 0.980 302 Q HN 0.629 nan 8.270 nan 0.000 0.491 303 R N -1.131 119.465 120.500 0.159 0.000 2.629 303 R HA 0.450 4.790 4.340 0.001 0.000 0.408 303 R C 0.602 177.079 176.300 0.296 0.000 1.057 303 R CA 0.041 56.280 56.100 0.232 0.000 1.119 303 R CB 0.406 30.642 30.300 -0.107 0.000 1.403 303 R HN 0.185 nan 8.270 nan 0.000 0.576 304 G N 0.681 109.620 108.800 0.232 0.000 2.162 304 G HA2 -0.294 3.666 3.960 0.001 0.000 0.260 304 G HA3 -0.294 3.666 3.960 0.001 0.000 0.260 304 G C -0.106 174.868 174.900 0.123 0.000 0.976 304 G CA 0.334 45.540 45.100 0.178 0.000 0.655 304 G HN 0.567 nan 8.290 nan 0.000 0.533 305 H N -0.191 118.931 119.070 0.086 0.000 2.500 305 H HA 0.488 5.045 4.556 0.001 0.000 0.351 305 H C 1.381 176.716 175.328 0.012 0.000 1.281 305 H CA 0.319 56.422 56.048 0.093 0.000 1.368 305 H CB 1.159 31.059 29.762 0.230 0.000 1.616 305 H HN 1.045 nan 8.280 nan 0.000 0.591 306 G N 0.026 108.884 108.800 0.097 0.000 2.556 306 G HA2 -0.359 3.602 3.960 0.001 0.000 0.283 306 G HA3 -0.359 3.602 3.960 0.001 0.000 0.283 306 G C 0.939 175.785 174.900 -0.090 0.000 1.177 306 G CA 0.846 45.926 45.100 -0.034 0.000 0.978 306 G HN 0.736 nan 8.290 nan 0.000 0.554 307 A N 0.326 123.062 122.820 -0.141 0.000 2.123 307 A HA 0.559 4.879 4.320 0.001 0.000 0.214 307 A C 2.793 180.358 177.584 -0.032 0.000 1.152 307 A CA 1.888 53.847 52.037 -0.129 0.000 0.728 307 A CB -0.902 17.987 19.000 -0.185 0.000 0.814 307 A HN 2.933 nan 8.150 nan 0.000 0.464 308 G N -0.707 108.105 108.800 0.021 0.000 2.583 308 G HA2 0.267 4.228 3.960 0.001 0.000 0.292 308 G HA3 0.267 4.228 3.960 0.001 0.000 0.292 308 G C 1.085 176.045 174.900 0.101 0.000 1.203 308 G CA 0.482 45.625 45.100 0.072 0.000 0.987 308 G HN 2.539 nan 8.290 nan 0.000 0.554 309 G N -3.167 105.696 108.800 0.104 0.000 3.226 309 G HA2 0.373 4.333 3.960 0.001 0.000 0.685 309 G HA3 0.373 4.333 3.960 0.001 0.000 0.685 309 G C 0.493 175.489 174.900 0.160 0.000 1.207 309 G CA 0.533 45.709 45.100 0.127 0.000 0.877 309 G HN 1.766 nan 8.290 nan 0.000 0.585 310 S N 0.684 116.505 115.700 0.201 0.000 2.428 310 S HA -0.073 4.397 4.470 0.001 0.000 0.230 310 S C 2.653 177.431 174.600 0.296 0.000 1.014 310 S CA 1.719 60.085 58.200 0.278 0.000 0.957 310 S CB -0.060 63.338 63.200 0.328 0.000 0.784 310 S HN 1.799 nan 8.310 nan 0.000 0.499 311 S N 1.132 116.968 115.700 0.227 0.000 2.522 311 S HA 0.105 4.576 4.470 0.001 0.000 0.227 311 S C 0.680 175.236 174.600 -0.074 0.000 0.986 311 S CA -0.115 58.051 58.200 -0.057 0.000 0.929 311 S CB -0.508 62.696 63.200 0.006 0.000 0.769 311 S HN 0.229 nan 8.310 nan 0.000 0.529 312 I N 3.055 123.655 120.570 0.050 0.000 2.741 312 I HA 0.089 4.260 4.170 0.001 0.000 0.288 312 I C 0.306 176.465 176.117 0.070 0.000 1.192 312 I CA -0.028 61.322 61.300 0.084 0.000 1.426 312 I CB -0.622 37.465 38.000 0.145 0.000 1.367 312 I HN 0.336 nan 8.210 nan 0.000 0.563 313 L N 7.243 128.526 121.223 0.099 0.000 2.312 313 L HA 0.419 4.760 4.340 0.001 0.000 0.281 313 L C 0.720 177.710 176.870 0.200 0.000 1.070 313 L CA -0.215 54.714 54.840 0.148 0.000 0.805 313 L CB 1.477 43.653 42.059 0.195 0.000 1.174 313 L HN 0.775 nan 8.230 nan 0.000 0.434 314 T N -1.729 112.810 114.554 -0.026 0.000 2.742 314 T HA 0.346 4.697 4.350 0.001 0.000 0.282 314 T C 0.782 175.023 174.700 -0.764 0.000 1.025 314 T CA -0.622 61.225 62.100 -0.422 0.000 1.020 314 T CB 0.766 69.532 68.868 -0.170 0.000 1.317 314 T HN 0.408 nan 8.240 nan 0.000 0.538 315 F N -1.217 118.252 119.950 -0.801 0.000 2.333 315 F HA 0.196 4.724 4.527 0.002 0.000 0.300 315 F C 1.680 177.409 175.800 -0.120 0.000 1.083 315 F CA -0.084 57.654 58.000 -0.436 0.000 1.395 315 F CB -1.016 37.761 39.000 -0.371 0.000 1.056 315 F HN 0.545 nan 8.300 nan 0.000 0.529 316 W N 1.386 122.255 121.300 -0.719 0.000 2.392 316 W HA -0.094 4.567 4.660 0.002 0.000 0.279 316 W C 0.682 177.117 176.519 -0.140 0.000 1.225 316 W CA 0.882 57.961 57.345 -0.443 0.000 1.233 316 W CB -0.133 29.009 29.460 -0.531 0.000 1.122 316 W HN -0.031 nan 8.180 nan 0.000 0.561 317 D N -0.295 120.174 120.400 0.116 0.000 3.018 317 D HA 0.253 4.893 4.640 0.001 0.000 0.331 317 D C 1.364 177.787 176.300 0.206 0.000 1.334 317 D CA 0.160 54.239 54.000 0.131 0.000 0.900 317 D CB 0.462 41.315 40.800 0.088 0.000 1.059 317 D HN -0.010 nan 8.370 nan 0.000 0.498 318 A N 1.276 124.245 122.820 0.249 0.000 1.909 318 A HA -0.313 4.008 4.320 0.001 0.000 0.221 318 A C 2.172 179.953 177.584 0.329 0.000 1.223 318 A CA 1.696 53.952 52.037 0.363 0.000 0.658 318 A CB -0.376 18.730 19.000 0.176 0.000 0.831 318 A HN 0.355 nan 8.150 nan 0.000 0.462 319 R N -1.256 119.360 120.500 0.193 0.000 2.083 319 R HA -0.146 4.194 4.340 0.001 0.000 0.237 319 R C 1.933 178.337 176.300 0.174 0.000 1.137 319 R CA 1.839 58.039 56.100 0.167 0.000 0.951 319 R CB -0.362 30.000 30.300 0.104 0.000 0.851 319 R HN 0.413 nan 8.270 nan 0.000 0.434 320 L N -0.469 120.837 121.223 0.138 0.000 2.156 320 L HA -0.111 4.229 4.340 0.001 0.000 0.208 320 L C 2.060 179.002 176.870 0.121 0.000 1.095 320 L CA 1.389 56.272 54.840 0.071 0.000 0.770 320 L CB -0.968 41.098 42.059 0.013 0.000 0.914 320 L HN 0.227 nan 8.230 nan 0.000 0.439 321 Y N 0.724 121.082 120.300 0.096 0.000 2.181 321 Y HA -0.268 4.283 4.550 0.001 0.000 0.288 321 Y C 2.448 178.446 175.900 0.163 0.000 1.146 321 Y CA 1.699 59.879 58.100 0.134 0.000 1.164 321 Y CB -0.100 38.496 38.460 0.226 0.000 0.982 321 Y HN 0.103 nan 8.280 nan 0.000 0.515 322 K N -0.203 120.358 120.400 0.267 0.000 2.148 322 K HA -0.132 4.189 4.320 0.001 0.000 0.204 322 K C 2.064 178.674 176.600 0.018 0.000 1.050 322 K CA 1.629 58.060 56.287 0.240 0.000 0.942 322 K CB -0.202 32.576 32.500 0.464 0.000 0.724 322 K HN 0.369 nan 8.250 nan 0.000 0.446 323 I N 0.692 121.194 120.570 -0.114 0.000 2.202 323 I HA -0.250 3.920 4.170 0.001 0.000 0.242 323 I C 2.477 178.412 176.117 -0.303 0.000 1.091 323 I CA 1.036 62.087 61.300 -0.415 0.000 1.368 323 I CB -0.369 37.480 38.000 -0.250 0.000 1.058 323 I HN 0.141 nan 8.210 nan 0.000 0.410 324 A N 0.456 123.139 122.820 -0.228 0.000 1.898 324 A HA -0.130 4.190 4.320 0.001 0.000 0.216 324 A C 2.397 179.909 177.584 -0.121 0.000 1.181 324 A CA 1.545 53.453 52.037 -0.215 0.000 0.620 324 A CB -0.886 18.008 19.000 -0.177 0.000 0.819 324 A HN 0.239 nan 8.150 nan 0.000 0.442 325 V N -0.080 119.719 119.914 -0.190 0.000 2.427 325 V HA -0.148 3.973 4.120 0.001 0.000 0.248 325 V C 2.786 178.872 176.094 -0.012 0.000 1.051 325 V CA 1.833 64.046 62.300 -0.145 0.000 1.048 325 V CB -1.379 30.270 31.823 -0.290 0.000 0.666 325 V HN 0.608 nan 8.190 nan 0.000 0.456 326 G N -0.948 107.850 108.800 -0.004 0.000 2.418 326 G HA2 -0.299 3.661 3.960 0.001 0.000 0.217 326 G HA3 -0.299 3.661 3.960 0.001 0.000 0.217 326 G C 1.568 176.559 174.900 0.151 0.000 1.158 326 G CA 0.902 46.047 45.100 0.075 0.000 0.771 326 G HN 0.482 nan 8.290 nan 0.000 0.545 327 F N 0.841 120.792 119.950 0.003 0.000 2.146 327 F HA 0.036 4.564 4.527 0.002 0.000 0.298 327 F C 2.643 178.520 175.800 0.129 0.000 1.096 327 F CA 1.946 59.946 58.000 0.001 0.000 1.275 327 F CB -0.080 38.624 39.000 -0.493 0.000 1.008 327 F HN 0.151 nan 8.300 nan 0.000 0.480 328 M N -0.434 119.310 119.600 0.240 0.000 2.080 328 M HA -0.212 4.268 4.480 0.001 0.000 0.260 328 M C 1.829 178.233 176.300 0.174 0.000 1.068 328 M CA 1.738 57.222 55.300 0.306 0.000 1.109 328 M CB -0.338 32.433 32.600 0.284 0.000 1.342 328 M HN 0.220 nan 8.290 nan 0.000 0.405 329 L N 0.645 121.922 121.223 0.090 0.000 2.131 329 L HA -0.058 4.283 4.340 0.001 0.000 0.210 329 L C 2.723 179.657 176.870 0.107 0.000 1.092 329 L CA 1.980 56.853 54.840 0.055 0.000 0.759 329 L CB -1.671 40.403 42.059 0.024 0.000 0.903 329 L HN 0.436 nan 8.230 nan 0.000 0.435 330 A N -2.660 120.204 122.820 0.074 0.000 2.021 330 A HA -0.091 4.230 4.320 0.001 0.000 0.216 330 A C 1.302 179.126 177.584 0.400 0.000 1.163 330 A CA 0.204 52.328 52.037 0.145 0.000 0.676 330 A CB -0.532 18.361 19.000 -0.178 0.000 0.818 330 A HN 0.386 nan 8.150 nan 0.000 0.453 331 H N 0.913 120.097 119.070 0.190 0.000 2.610 331 H HA 0.166 4.723 4.556 0.001 0.000 0.336 331 H C -1.668 173.787 175.328 0.212 0.000 1.087 331 H CA -1.308 54.838 56.048 0.164 0.000 1.405 331 H CB 1.482 31.206 29.762 -0.062 0.000 1.460 331 H HN 0.111 nan 8.280 nan 0.000 0.538 332 P HA -0.156 nan 4.420 nan 0.000 0.230 332 P C 0.237 177.616 177.300 0.132 0.000 1.158 332 P CA 0.596 63.705 63.100 0.016 0.000 0.769 332 P CB -0.170 31.503 31.700 -0.045 0.000 0.807 333 Y N 2.241 122.695 120.300 0.258 0.000 2.526 333 Y HA 0.327 4.877 4.550 0.001 0.000 0.330 333 Y C 1.304 177.271 175.900 0.112 0.000 1.156 333 Y CA 1.288 59.531 58.100 0.238 0.000 1.419 333 Y CB -0.251 38.424 38.460 0.358 0.000 1.250 333 Y HN 0.296 nan 8.280 nan 0.000 0.540 334 G N 4.647 113.066 108.800 -0.635 0.000 2.806 334 G HA2 -0.328 3.632 3.960 0.001 0.000 0.236 334 G HA3 -0.328 3.632 3.960 0.001 0.000 0.236 334 G C -1.243 173.561 174.900 -0.161 0.000 1.387 334 G CA -0.183 44.622 45.100 -0.491 0.000 0.884 334 G HN 0.920 nan 8.290 nan 0.000 0.560 335 F N 1.890 121.697 119.950 -0.237 0.000 2.415 335 F HA 0.623 5.150 4.527 0.001 0.000 0.348 335 F C 1.213 176.903 175.800 -0.183 0.000 1.119 335 F CA 0.073 57.961 58.000 -0.187 0.000 1.069 335 F CB 1.404 40.297 39.000 -0.177 0.000 1.124 335 F HN 0.823 nan 8.300 nan 0.000 0.472 336 T N 4.155 118.268 114.554 -0.734 0.000 2.856 336 T HA 0.399 4.750 4.350 0.001 0.000 0.292 336 T C -0.341 174.107 174.700 -0.420 0.000 0.980 336 T CA -0.857 60.957 62.100 -0.476 0.000 1.091 336 T CB 1.267 69.928 68.868 -0.345 0.000 0.936 336 T HN 0.795 nan 8.240 nan 0.000 0.503 337 R N 2.479 122.878 120.500 -0.168 0.000 2.439 337 R HA 0.583 4.924 4.340 0.001 0.000 0.310 337 R C -1.464 174.850 176.300 0.024 0.000 0.955 337 R CA -0.711 55.346 56.100 -0.072 0.000 0.853 337 R CB 1.433 31.695 30.300 -0.064 0.000 1.171 337 R HN 0.612 nan 8.270 nan 0.000 0.449 338 V N 5.419 125.363 119.914 0.050 0.000 2.481 338 V HA 0.329 4.449 4.120 0.001 0.000 0.286 338 V C 0.253 176.425 176.094 0.131 0.000 1.042 338 V CA -0.693 61.669 62.300 0.104 0.000 0.928 338 V CB 1.491 33.406 31.823 0.152 0.000 0.986 338 V HN 0.788 nan 8.190 nan 0.000 0.462 339 M N 3.885 123.583 119.600 0.164 0.000 2.314 339 M HA 0.534 5.015 4.480 0.001 0.000 0.342 339 M C -0.194 176.163 176.300 0.095 0.000 1.171 339 M CA 0.558 55.951 55.300 0.156 0.000 1.098 339 M CB 1.523 34.254 32.600 0.217 0.000 1.559 339 M HN 0.636 nan 8.290 nan 0.000 0.459 340 S N 2.538 118.257 115.700 0.032 0.000 2.736 340 S HA 0.812 5.283 4.470 0.001 0.000 0.285 340 S C -1.267 173.403 174.600 0.117 0.000 1.163 340 S CA -0.576 57.645 58.200 0.035 0.000 1.025 340 S CB 0.542 63.672 63.200 -0.118 0.000 1.030 340 S HN 0.872 nan 8.310 nan 0.000 0.486 341 S N 3.237 118.993 115.700 0.094 0.000 2.841 341 S HA 0.839 5.310 4.470 0.001 0.000 0.318 341 S C -1.219 173.480 174.600 0.166 0.000 1.127 341 S CA -0.857 57.427 58.200 0.141 0.000 0.883 341 S CB 0.583 63.776 63.200 -0.011 0.000 1.271 341 S HN 0.816 nan 8.310 nan 0.000 0.567 342 Y N -0.767 119.613 120.300 0.133 0.000 2.562 342 Y HA 0.783 5.334 4.550 0.001 0.000 0.343 342 Y C -0.252 175.663 175.900 0.026 0.000 1.025 342 Y CA -1.355 56.701 58.100 -0.073 0.000 1.082 342 Y CB 0.979 39.233 38.460 -0.343 0.000 1.264 342 Y HN 0.721 nan 8.280 nan 0.000 0.478 343 R N 1.994 122.572 120.500 0.129 0.000 2.404 343 R HA 0.513 4.853 4.340 0.001 0.000 0.291 343 R C -1.739 174.870 176.300 0.514 0.000 1.025 343 R CA -0.545 55.679 56.100 0.207 0.000 0.991 343 R CB 0.900 31.174 30.300 -0.043 0.000 1.053 343 R HN 0.982 nan 8.270 nan 0.000 0.479 344 W N 1.659 123.199 121.300 0.400 0.000 3.031 344 W HA 0.651 5.312 4.660 0.002 0.000 0.337 344 W C -1.646 175.042 176.519 0.281 0.000 1.187 344 W CA -1.223 56.287 57.345 0.275 0.000 1.166 344 W CB 0.814 30.413 29.460 0.233 0.000 1.437 344 W HN 0.622 nan 8.180 nan 0.000 0.551 345 A N 3.700 126.607 122.820 0.146 0.000 2.395 345 A HA 0.486 4.806 4.320 0.001 0.000 0.286 345 A C 0.094 177.630 177.584 -0.080 0.000 1.193 345 A CA -0.548 51.488 52.037 -0.001 0.000 0.852 345 A CB -0.075 18.950 19.000 0.041 0.000 1.118 345 A HN 0.678 nan 8.150 nan 0.000 0.524 346 R N 1.998 122.311 120.500 -0.311 0.000 2.459 346 R HA 0.352 4.692 4.340 0.001 0.000 0.281 346 R C -0.615 175.557 176.300 -0.213 0.000 1.050 346 R CA -0.540 55.351 56.100 -0.347 0.000 1.055 346 R CB 0.752 30.652 30.300 -0.667 0.000 1.045 346 R HN 0.708 nan 8.270 nan 0.000 0.495 347 N N 2.384 120.935 118.700 -0.248 0.000 2.581 347 N HA 0.165 4.905 4.740 0.001 0.000 0.279 347 N C -1.718 173.696 175.510 -0.161 0.000 1.124 347 N CA -0.416 52.576 53.050 -0.098 0.000 0.833 347 N CB 0.535 39.023 38.487 0.000 0.000 1.338 347 N HN 0.332 nan 8.380 nan 0.000 0.533 348 F N 2.311 122.257 119.950 -0.006 0.000 2.421 348 F HA 0.285 4.814 4.527 0.003 0.000 0.358 348 F C 0.796 176.607 175.800 0.018 0.000 1.115 348 F CA -0.590 57.413 58.000 0.004 0.000 1.160 348 F CB 0.971 39.953 39.000 -0.030 0.000 1.123 348 F HN 0.140 nan 8.300 nan 0.000 0.508 349 V N 0.835 120.853 119.914 0.172 0.000 2.444 349 V HA 0.469 4.590 4.120 0.001 0.000 0.294 349 V C -0.094 176.072 176.094 0.120 0.000 1.022 349 V CA -1.251 61.122 62.300 0.121 0.000 0.850 349 V CB 1.136 33.011 31.823 0.086 0.000 0.992 349 V HN 0.911 nan 8.190 nan 0.000 0.426 350 N N 3.775 122.534 118.700 0.098 0.000 2.738 350 N HA -0.169 4.572 4.740 0.001 0.000 0.249 350 N C 1.044 176.613 175.510 0.099 0.000 1.047 350 N CA 0.694 53.790 53.050 0.076 0.000 0.707 350 N CB -1.131 37.391 38.487 0.058 0.000 0.937 350 N HN 2.009 nan 8.380 nan 0.000 0.545 351 G N -0.119 108.761 108.800 0.133 0.000 2.179 351 G HA2 -0.341 3.619 3.960 0.001 0.000 0.257 351 G HA3 -0.341 3.619 3.960 0.001 0.000 0.257 351 G C -0.228 174.851 174.900 0.300 0.000 1.010 351 G CA 0.997 46.191 45.100 0.156 0.000 0.736 351 G HN 0.845 nan 8.290 nan 0.000 0.513 352 E N -0.309 120.091 120.200 0.333 0.000 2.292 352 E HA 0.519 4.869 4.350 0.001 0.000 0.272 352 E C -1.515 175.105 176.600 0.033 0.000 0.881 352 E CA -1.210 55.332 56.400 0.237 0.000 0.754 352 E CB 1.757 31.532 29.700 0.125 0.000 1.201 352 E HN -0.020 nan 8.360 nan 0.000 0.425 353 D N 2.750 123.015 120.400 -0.226 0.000 2.339 353 D HA 0.034 4.674 4.640 0.001 0.000 0.256 353 D C 0.894 177.159 176.300 -0.058 0.000 1.214 353 D CA -0.468 53.260 54.000 -0.454 0.000 0.877 353 D CB 1.677 42.153 40.800 -0.540 0.000 1.111 353 D HN 0.411 nan 8.370 nan 0.000 0.478 354 V N 1.514 121.426 119.914 -0.002 0.000 3.623 354 V HA 0.182 4.302 4.120 0.001 0.000 0.271 354 V C 0.733 176.988 176.094 0.268 0.000 1.248 354 V CA 0.251 62.642 62.300 0.151 0.000 1.156 354 V CB -0.435 31.475 31.823 0.145 0.000 0.870 354 V HN 0.313 nan 8.190 nan 0.000 0.453 355 N N 1.991 120.781 118.700 0.151 0.000 2.251 355 N HA 0.061 4.802 4.740 0.001 0.000 0.217 355 N C 0.971 176.453 175.510 -0.048 0.000 1.124 355 N CA 0.753 53.818 53.050 0.025 0.000 0.843 355 N CB 0.063 38.577 38.487 0.045 0.000 1.024 355 N HN 0.782 nan 8.380 nan 0.000 0.501 356 D N -0.504 120.006 120.400 0.184 0.000 2.392 356 D HA -0.149 4.491 4.640 0.001 0.000 0.228 356 D C 1.537 178.064 176.300 0.378 0.000 1.003 356 D CA 0.199 54.324 54.000 0.208 0.000 0.917 356 D CB -0.548 40.513 40.800 0.435 0.000 0.890 356 D HN 0.522 nan 8.370 nan 0.000 0.532 357 W N 0.814 122.330 121.300 0.360 0.000 2.640 357 W HA 0.251 4.912 4.660 0.001 0.000 0.268 357 W C 0.384 176.975 176.519 0.119 0.000 1.263 357 W CA -0.744 56.776 57.345 0.293 0.000 1.344 357 W CB -0.674 28.939 29.460 0.254 0.000 1.093 357 W HN -0.230 nan 8.180 nan 0.000 0.603 358 I N 3.021 123.173 120.570 -0.697 0.000 2.996 358 I HA -0.078 4.092 4.170 0.001 0.000 0.310 358 I C 1.449 177.550 176.117 -0.027 0.000 1.225 358 I CA 1.040 61.941 61.300 -0.664 0.000 1.442 358 I CB -0.155 37.499 38.000 -0.576 0.000 1.334 358 I HN -0.070 nan 8.210 nan 0.000 0.550 359 G N 7.978 116.757 108.800 -0.034 0.000 2.563 359 G HA2 0.426 4.387 3.960 0.001 0.000 0.283 359 G HA3 0.426 4.387 3.960 0.001 0.000 0.283 359 G C -2.440 172.145 174.900 -0.524 0.000 1.309 359 G CA -0.960 44.104 45.100 -0.060 0.000 1.022 359 G HN 0.443 nan 8.290 nan 0.000 0.501 360 P HA 0.160 nan 4.420 nan 0.000 0.270 360 P C -2.651 174.147 177.300 -0.838 0.000 1.223 360 P CA -0.906 61.349 63.100 -1.408 0.000 0.785 360 P CB -0.035 31.205 31.700 -0.767 0.000 0.923 361 P HA 0.005 nan 4.420 nan 0.000 0.261 361 P C -0.321 176.782 177.300 -0.330 0.000 1.173 361 P CA 0.865 63.619 63.100 -0.576 0.000 0.760 361 P CB -0.180 31.051 31.700 -0.783 0.000 0.783 362 N N 0.599 119.173 118.700 -0.210 0.000 2.708 362 N HA 0.332 5.072 4.740 0.001 0.000 0.257 362 N C -1.385 174.075 175.510 -0.085 0.000 1.373 362 N CA -1.011 51.962 53.050 -0.128 0.000 0.843 362 N CB 1.170 39.583 38.487 -0.123 0.000 1.503 362 N HN -0.006 nan 8.380 nan 0.000 0.504 363 N N 1.308 119.972 118.700 -0.060 0.000 2.706 363 N HA 0.264 5.005 4.740 0.001 0.000 0.240 363 N C -0.907 174.581 175.510 -0.035 0.000 1.039 363 N CA -0.294 52.731 53.050 -0.042 0.000 0.888 363 N CB 0.237 38.704 38.487 -0.033 0.000 1.128 363 N HN 0.626 nan 8.380 nan 0.000 0.512 364 N N 1.367 120.049 118.700 -0.030 0.000 2.740 364 N HA -0.210 4.531 4.740 0.001 0.000 0.248 364 N C 0.999 176.491 175.510 -0.030 0.000 1.062 364 N CA 1.345 54.381 53.050 -0.024 0.000 0.704 364 N CB -1.087 37.389 38.487 -0.018 0.000 0.968 364 N HN 0.908 nan 8.380 nan 0.000 0.547 365 G N -2.749 106.027 108.800 -0.041 0.000 2.254 365 G HA2 -0.311 3.650 3.960 0.001 0.000 0.225 365 G HA3 -0.311 3.650 3.960 0.001 0.000 0.225 365 G C -0.032 174.832 174.900 -0.059 0.000 1.003 365 G CA 0.104 45.175 45.100 -0.049 0.000 0.622 365 G HN 0.476 nan 8.290 nan 0.000 0.507 366 V N 3.308 123.191 119.914 -0.053 0.000 2.408 366 V HA 0.421 4.542 4.120 0.001 0.000 0.267 366 V C 1.274 177.332 176.094 -0.062 0.000 1.047 366 V CA -0.571 61.696 62.300 -0.055 0.000 0.937 366 V CB 1.143 32.940 31.823 -0.042 0.000 0.999 366 V HN 0.362 nan 8.190 nan 0.000 0.472 367 I N 5.176 125.705 120.570 -0.068 0.000 2.752 367 I HA 0.011 4.182 4.170 0.001 0.000 0.289 367 I C 0.955 177.068 176.117 -0.006 0.000 1.197 367 I CA 0.317 61.589 61.300 -0.047 0.000 1.432 367 I CB 0.113 38.090 38.000 -0.038 0.000 1.359 367 I HN 0.590 nan 8.210 nan 0.000 0.571 368 K N 6.367 126.788 120.400 0.034 0.000 2.295 368 K HA 0.105 4.426 4.320 0.001 0.000 0.270 368 K C 0.225 176.902 176.600 0.128 0.000 1.011 368 K CA -0.446 55.881 56.287 0.067 0.000 0.953 368 K CB 0.574 33.099 32.500 0.042 0.000 0.956 368 K HN 0.596 nan 8.250 nan 0.000 0.477 369 E N 0.537 120.748 120.200 0.018 0.000 2.392 369 E HA 0.090 4.441 4.350 0.001 0.000 0.259 369 E C -0.763 175.742 176.600 -0.159 0.000 1.108 369 E CA -0.727 55.608 56.400 -0.109 0.000 0.916 369 E CB 0.698 30.342 29.700 -0.093 0.000 0.989 369 E HN 0.059 nan 8.360 nan 0.000 0.432 370 V N 3.171 122.784 119.914 -0.501 0.000 2.372 370 V HA 0.125 4.245 4.120 0.001 0.000 0.261 370 V C 0.329 176.254 176.094 -0.281 0.000 1.055 370 V CA -0.232 61.671 62.300 -0.662 0.000 0.930 370 V CB 0.236 31.251 31.823 -1.347 0.000 1.031 370 V HN 0.820 nan 8.190 nan 0.000 0.479 371 T N 4.132 118.622 114.554 -0.106 0.000 2.909 371 T HA 0.659 5.010 4.350 0.001 0.000 0.286 371 T C -0.437 174.240 174.700 -0.038 0.000 1.002 371 T CA -0.721 61.347 62.100 -0.053 0.000 1.074 371 T CB 1.464 70.326 68.868 -0.010 0.000 0.984 371 T HN 0.219 nan 8.240 nan 0.000 0.495 372 I N 2.855 123.407 120.570 -0.030 0.000 2.362 372 I HA 0.341 4.511 4.170 0.001 0.000 0.289 372 I C 0.380 176.494 176.117 -0.004 0.000 0.994 372 I CA -1.007 60.282 61.300 -0.019 0.000 1.158 372 I CB 0.810 38.798 38.000 -0.019 0.000 1.315 372 I HN 0.788 nan 8.210 nan 0.000 0.451 373 N N 3.215 121.917 118.700 0.003 0.000 2.408 373 N HA 0.388 5.128 4.740 0.001 0.000 0.260 373 N C 1.252 176.767 175.510 0.008 0.000 1.242 373 N CA -0.337 52.717 53.050 0.007 0.000 0.959 373 N CB 1.073 39.567 38.487 0.011 0.000 1.201 373 N HN 0.688 nan 8.380 nan 0.000 0.511 374 A N 0.631 123.456 122.820 0.008 0.000 1.978 374 A HA -0.200 4.121 4.320 0.001 0.000 0.220 374 A C 1.268 178.860 177.584 0.013 0.000 1.170 374 A CA 1.801 53.844 52.037 0.010 0.000 0.636 374 A CB -0.550 18.454 19.000 0.007 0.000 0.810 374 A HN 0.866 nan 8.150 nan 0.000 0.448 375 D N -1.236 119.170 120.400 0.011 0.000 2.319 375 D HA -0.015 4.626 4.640 0.001 0.000 0.230 375 D C 0.903 177.217 176.300 0.023 0.000 1.094 375 D CA 1.282 55.291 54.000 0.014 0.000 0.856 375 D CB -1.057 39.746 40.800 0.005 0.000 0.915 375 D HN 0.730 nan 8.370 nan 0.000 0.517 376 T N -4.236 110.330 114.554 0.020 0.000 6.412 376 T HA -0.263 4.088 4.350 0.001 0.000 0.279 376 T C 0.512 175.203 174.700 -0.014 0.000 2.177 376 T CA 1.448 63.555 62.100 0.012 0.000 3.599 376 T CB -3.062 65.835 68.868 0.048 0.000 1.259 376 T HN 0.568 nan 8.240 nan 0.000 1.146 377 T N -1.113 113.449 114.554 0.013 0.000 2.824 377 T HA 0.679 5.030 4.350 0.001 0.000 0.277 377 T C 0.845 175.561 174.700 0.028 0.000 0.975 377 T CA -0.312 61.811 62.100 0.039 0.000 0.966 377 T CB 1.367 70.271 68.868 0.060 0.000 1.054 377 T HN 0.604 nan 8.240 nan 0.000 0.533 378 c N 0.338 118.977 118.600 0.066 0.000 2.358 378 c HA 0.894 5.464 4.570 0.001 0.000 0.354 378 c C 1.321 175.465 174.090 0.090 0.000 1.183 378 c CA -0.382 55.991 56.329 0.074 0.000 2.150 378 c CB 0.774 43.362 42.510 0.130 0.000 2.361 378 c HN 1.188 nan 8.230 nan 0.000 0.535 379 G N 0.233 109.086 108.800 0.087 0.000 2.887 379 G HA2 0.479 4.439 3.960 0.001 0.000 0.277 379 G HA3 0.479 4.439 3.960 0.001 0.000 0.277 379 G C -0.132 174.842 174.900 0.123 0.000 1.346 379 G CA -0.214 44.931 45.100 0.075 0.000 1.058 379 G HN 0.766 nan 8.290 nan 0.000 0.535 380 N N -0.056 118.673 118.700 0.047 0.000 2.714 380 N HA -0.153 4.588 4.740 0.001 0.000 0.250 380 N C -0.035 175.347 175.510 -0.212 0.000 1.117 380 N CA 1.345 54.382 53.050 -0.022 0.000 0.719 380 N CB -0.638 37.895 38.487 0.077 0.000 1.081 380 N HN 0.649 nan 8.380 nan 0.000 0.557 381 D N -3.452 116.867 120.400 -0.135 0.000 3.041 381 D HA -0.225 4.415 4.640 0.001 0.000 0.220 381 D C -0.522 175.635 176.300 -0.238 0.000 1.157 381 D CA 1.028 54.919 54.000 -0.182 0.000 0.876 381 D CB -1.518 39.166 40.800 -0.193 0.000 1.107 381 D HN 0.569 nan 8.370 nan 0.000 0.422 382 W N 0.093 121.376 121.300 -0.028 0.000 2.331 382 W HA 0.400 5.060 4.660 0.002 0.000 0.306 382 W C 1.624 178.139 176.519 -0.006 0.000 1.162 382 W CA -0.978 56.367 57.345 -0.001 0.000 1.232 382 W CB 0.851 30.259 29.460 -0.086 0.000 1.235 382 W HN -0.253 nan 8.180 nan 0.000 0.479 383 V N 2.458 122.439 119.914 0.112 0.000 2.427 383 V HA -0.268 3.852 4.120 0.001 0.000 0.248 383 V C 1.256 177.417 176.094 0.111 0.000 1.051 383 V CA 0.650 62.923 62.300 -0.045 0.000 1.048 383 V CB -0.943 30.538 31.823 -0.570 0.000 0.666 383 V HN 0.846 nan 8.190 nan 0.000 0.456 384 c N 1.217 119.927 118.600 0.183 0.000 3.514 384 c HA -0.156 4.414 4.570 0.001 0.000 0.286 384 c C 1.643 175.623 174.090 -0.184 0.000 1.302 384 c CA 0.517 56.944 56.329 0.164 0.000 2.239 384 c CB -2.507 40.072 42.510 0.115 0.000 1.429 384 c HN 0.678 nan 8.230 nan 0.000 0.565 385 E N 0.460 120.430 120.200 -0.383 0.000 2.153 385 E HA -0.171 4.180 4.350 0.001 0.000 0.194 385 E C 1.978 178.326 176.600 -0.420 0.000 0.988 385 E CA 1.592 57.369 56.400 -1.038 0.000 0.811 385 E CB -0.150 29.135 29.700 -0.691 0.000 0.746 385 E HN 0.973 nan 8.360 nan 0.000 0.466 386 H N -0.092 118.889 119.070 -0.148 0.000 2.545 386 H HA 0.083 4.639 4.556 0.001 0.000 0.282 386 H C 1.315 176.773 175.328 0.216 0.000 1.020 386 H CA 0.927 57.036 56.048 0.103 0.000 1.243 386 H CB -0.030 29.750 29.762 0.030 0.000 1.377 386 H HN 0.086 nan 8.280 nan 0.000 0.581 387 R N -0.681 119.578 120.500 -0.402 0.000 2.312 387 R HA 0.055 4.396 4.340 0.001 0.000 0.205 387 R C -0.167 176.271 176.300 0.230 0.000 0.904 387 R CA -0.431 55.544 56.100 -0.208 0.000 1.052 387 R CB 0.267 30.267 30.300 -0.500 0.000 1.014 387 R HN 0.102 nan 8.270 nan 0.000 0.503 388 W N 1.975 123.310 121.300 0.058 0.000 2.251 388 W HA 0.100 4.761 4.660 0.001 0.000 0.327 388 W C 1.583 178.182 176.519 0.133 0.000 1.361 388 W CA -0.932 56.471 57.345 0.097 0.000 1.234 388 W CB 0.008 29.549 29.460 0.136 0.000 1.212 388 W HN 0.067 nan 8.180 nan 0.000 0.557 389 R N 1.701 122.380 120.500 0.297 0.000 2.096 389 R HA -0.263 4.077 4.340 0.001 0.000 0.240 389 R C 1.402 177.829 176.300 0.211 0.000 1.139 389 R CA 2.383 58.608 56.100 0.209 0.000 0.952 389 R CB 0.058 30.424 30.300 0.110 0.000 0.854 389 R HN 0.476 nan 8.270 nan 0.000 0.436 390 E N 0.153 120.485 120.200 0.221 0.000 2.160 390 E HA -0.159 4.192 4.350 0.001 0.000 0.195 390 E C 1.894 178.656 176.600 0.269 0.000 0.991 390 E CA 1.571 58.094 56.400 0.205 0.000 0.810 390 E CB -0.070 29.776 29.700 0.242 0.000 0.742 390 E HN 0.478 nan 8.360 nan 0.000 0.466 391 I N 0.437 121.203 120.570 0.327 0.000 2.494 391 I HA -0.124 4.047 4.170 0.001 0.000 0.250 391 I C 2.436 178.710 176.117 0.261 0.000 1.112 391 I CA 0.692 62.156 61.300 0.273 0.000 1.438 391 I CB -0.198 37.956 38.000 0.255 0.000 1.111 391 I HN 0.059 nan 8.210 nan 0.000 0.431 392 R N 0.999 121.700 120.500 0.336 0.000 2.096 392 R HA -0.117 4.224 4.340 0.001 0.000 0.235 392 R C 1.695 178.138 176.300 0.239 0.000 1.127 392 R CA 1.725 58.043 56.100 0.363 0.000 0.968 392 R CB -0.634 29.957 30.300 0.486 0.000 0.861 392 R HN 0.241 nan 8.270 nan 0.000 0.440 393 N N 0.034 118.870 118.700 0.227 0.000 2.331 393 N HA -0.022 4.719 4.740 0.001 0.000 0.180 393 N C 1.384 177.069 175.510 0.292 0.000 1.019 393 N CA 1.023 54.218 53.050 0.241 0.000 0.881 393 N CB -0.014 38.582 38.487 0.181 0.000 0.972 393 N HN 0.243 nan 8.380 nan 0.000 0.435 394 M N -0.181 119.545 119.600 0.209 0.000 2.447 394 M HA 0.077 4.558 4.480 0.001 0.000 0.264 394 M C 1.729 178.112 176.300 0.137 0.000 1.095 394 M CA 0.354 55.753 55.300 0.164 0.000 1.125 394 M CB -0.444 32.212 32.600 0.094 0.000 1.389 394 M HN -0.117 nan 8.290 nan 0.000 0.459 395 V N -1.099 118.850 119.914 0.059 0.000 2.453 395 V HA -0.250 3.871 4.120 0.001 0.000 0.247 395 V C 2.102 178.154 176.094 -0.070 0.000 1.048 395 V CA 1.394 63.617 62.300 -0.128 0.000 1.049 395 V CB -0.517 31.021 31.823 -0.476 0.000 0.672 395 V HN 0.590 nan 8.190 nan 0.000 0.457 396 W N -0.149 121.083 121.300 -0.114 0.000 2.381 396 W HA -0.222 4.439 4.660 0.001 0.000 0.301 396 W C 2.457 178.889 176.519 -0.145 0.000 1.205 396 W CA 1.663 58.941 57.345 -0.112 0.000 1.285 396 W CB -0.432 29.008 29.460 -0.034 0.000 1.133 396 W HN 0.379 nan 8.180 nan 0.000 0.521 397 F N 1.803 121.737 119.950 -0.025 0.000 2.091 397 F HA -0.245 4.283 4.527 0.002 0.000 0.299 397 F C 2.752 178.431 175.800 -0.202 0.000 1.103 397 F CA 2.755 60.657 58.000 -0.163 0.000 1.228 397 F CB -0.855 38.183 39.000 0.064 0.000 0.984 397 F HN -0.226 nan 8.300 nan 0.000 0.477 398 R N 0.392 120.993 120.500 0.169 0.000 2.096 398 R HA -0.187 4.154 4.340 0.001 0.000 0.235 398 R C 2.005 178.198 176.300 -0.179 0.000 1.127 398 R CA 2.020 58.141 56.100 0.035 0.000 0.968 398 R CB -0.511 29.787 30.300 -0.004 0.000 0.861 398 R HN 0.493 nan 8.270 nan 0.000 0.440 399 N N -0.693 117.818 118.700 -0.316 0.000 2.106 399 N HA -0.138 4.603 4.740 0.001 0.000 0.188 399 N C 1.722 176.975 175.510 -0.428 0.000 1.029 399 N CA 1.243 54.044 53.050 -0.413 0.000 0.848 399 N CB 0.049 38.150 38.487 -0.643 0.000 1.007 399 N HN -0.015 nan 8.380 nan 0.000 0.423 400 V N 1.238 120.827 119.914 -0.541 0.000 2.332 400 V HA -0.152 3.968 4.120 0.001 0.000 0.248 400 V C 2.010 177.896 176.094 -0.345 0.000 1.055 400 V CA 1.556 63.576 62.300 -0.466 0.000 1.038 400 V CB -0.412 31.054 31.823 -0.594 0.000 0.651 400 V HN 0.365 nan 8.190 nan 0.000 0.450 401 V N -1.942 117.748 119.914 -0.372 0.000 3.596 401 V HA 0.257 4.377 4.120 0.001 0.000 0.289 401 V C 0.580 176.592 176.094 -0.137 0.000 1.336 401 V CA -0.255 61.891 62.300 -0.255 0.000 1.137 401 V CB -0.472 31.162 31.823 -0.315 0.000 0.966 401 V HN 0.465 nan 8.190 nan 0.000 0.428 402 D N 1.819 122.132 120.400 -0.145 0.000 2.531 402 D HA 0.355 4.996 4.640 0.001 0.000 0.239 402 D C 1.514 177.777 176.300 -0.062 0.000 1.144 402 D CA 2.071 56.014 54.000 -0.095 0.000 0.869 402 D CB 0.311 41.043 40.800 -0.114 0.000 1.160 402 D HN 0.658 nan 8.370 nan 0.000 0.484 403 G N 2.991 111.772 108.800 -0.033 0.000 2.176 403 G HA2 -0.247 3.714 3.960 0.001 0.000 0.253 403 G HA3 -0.247 3.714 3.960 0.001 0.000 0.253 403 G C 0.150 175.048 174.900 -0.003 0.000 0.979 403 G CA 0.150 45.239 45.100 -0.018 0.000 0.641 403 G HN 0.566 nan 8.290 nan 0.000 0.530 404 E N 1.774 121.973 120.200 -0.001 0.000 2.331 404 E HA 0.384 4.735 4.350 0.001 0.000 0.272 404 E C -1.946 174.691 176.600 0.061 0.000 1.036 404 E CA -1.611 54.802 56.400 0.021 0.000 0.864 404 E CB 1.235 30.938 29.700 0.005 0.000 1.035 404 E HN 0.340 nan 8.360 nan 0.000 0.408 405 P HA 0.069 nan 4.420 nan 0.000 0.274 405 P C -0.277 177.134 177.300 0.185 0.000 1.231 405 P CA -0.384 62.788 63.100 0.120 0.000 0.790 405 P CB 0.420 32.181 31.700 0.102 0.000 0.951 406 F N 2.217 122.197 119.950 0.051 0.000 2.543 406 F HA 0.373 4.901 4.527 0.001 0.000 0.375 406 F C -0.057 175.836 175.800 0.155 0.000 1.075 406 F CA 0.483 58.533 58.000 0.083 0.000 1.225 406 F CB -0.002 38.976 39.000 -0.036 0.000 1.099 406 F HN 0.518 nan 8.300 nan 0.000 0.561 407 A N 4.249 126.977 122.820 -0.154 0.000 2.593 407 A HA 0.479 4.800 4.320 0.001 0.000 0.290 407 A C -0.127 177.464 177.584 0.012 0.000 1.126 407 A CA -0.769 51.255 52.037 -0.021 0.000 0.695 407 A CB 0.786 19.834 19.000 0.079 0.000 1.290 407 A HN 0.806 nan 8.150 nan 0.000 0.414 408 N N 0.025 118.805 118.700 0.134 0.000 2.699 408 N HA -0.158 4.582 4.740 0.001 0.000 0.256 408 N C -0.374 175.328 175.510 0.321 0.000 0.993 408 N CA 1.295 54.483 53.050 0.229 0.000 0.759 408 N CB -0.739 37.890 38.487 0.237 0.000 0.906 408 N HN 0.656 nan 8.380 nan 0.000 0.541 409 W N 0.754 122.123 121.300 0.116 0.000 2.190 409 W HA 0.372 5.032 4.660 0.001 0.000 0.330 409 W C -0.147 176.578 176.519 0.344 0.000 1.299 409 W CA -0.344 57.120 57.345 0.198 0.000 1.215 409 W CB 0.430 30.008 29.460 0.198 0.000 1.147 409 W HN 0.331 nan 8.180 nan 0.000 0.563 410 W N 7.385 128.258 121.300 -0.712 0.000 3.217 410 W HA 0.364 5.024 4.660 0.001 0.000 0.323 410 W C -1.793 174.299 176.519 -0.712 0.000 1.216 410 W CA -0.626 56.454 57.345 -0.442 0.000 1.194 410 W CB 1.053 30.426 29.460 -0.144 0.000 1.397 410 W HN 0.494 nan 8.180 nan 0.000 0.537 411 D N 1.795 121.362 120.400 -1.388 0.000 2.623 411 D HA 0.253 4.893 4.640 0.001 0.000 0.241 411 D C -0.314 175.170 176.300 -1.361 0.000 1.241 411 D CA -0.690 52.563 54.000 -1.244 0.000 0.788 411 D CB 1.301 41.895 40.800 -0.343 0.000 1.413 411 D HN 0.284 nan 8.370 nan 0.000 0.429 412 N N 0.642 118.795 118.700 -0.913 0.000 2.235 412 N HA 0.188 4.928 4.740 0.001 0.000 0.209 412 N C 1.301 176.723 175.510 -0.146 0.000 1.122 412 N CA 0.264 53.057 53.050 -0.429 0.000 0.845 412 N CB 0.448 38.846 38.487 -0.150 0.000 1.004 412 N HN 1.052 nan 8.380 nan 0.000 0.499 413 G N -1.241 107.473 108.800 -0.143 0.000 2.184 413 G HA2 -0.318 3.643 3.960 0.001 0.000 0.264 413 G HA3 -0.318 3.643 3.960 0.001 0.000 0.264 413 G C 0.360 175.252 174.900 -0.014 0.000 0.975 413 G CA 0.711 45.798 45.100 -0.023 0.000 0.642 413 G HN 0.652 nan 8.290 nan 0.000 0.536 414 S N -1.150 114.518 115.700 -0.053 0.000 3.576 414 S HA 0.409 4.879 4.470 0.001 0.000 0.179 414 S C 0.825 175.324 174.600 -0.168 0.000 0.977 414 S CA 0.597 58.760 58.200 -0.061 0.000 1.189 414 S CB 0.276 63.532 63.200 0.094 0.000 1.443 414 S HN 0.212 nan 8.310 nan 0.000 0.874 415 N N 1.384 119.962 118.700 -0.203 0.000 2.299 415 N HA 0.296 5.037 4.740 0.001 0.000 0.246 415 N C -1.248 174.138 175.510 -0.208 0.000 1.254 415 N CA 0.073 52.980 53.050 -0.239 0.000 0.879 415 N CB 1.139 39.460 38.487 -0.276 0.000 1.214 415 N HN 0.457 nan 8.380 nan 0.000 0.510 416 Q N 1.360 121.051 119.800 -0.182 0.000 2.348 416 Q HA 0.480 4.821 4.340 0.001 0.000 0.265 416 Q C -0.450 175.453 176.000 -0.162 0.000 0.998 416 Q CA -0.621 55.135 55.803 -0.079 0.000 0.831 416 Q CB 2.619 31.378 28.738 0.035 0.000 1.251 416 Q HN 0.050 nan 8.270 nan 0.000 0.456 417 V N -1.264 118.634 119.914 -0.027 0.000 3.130 417 V HA 1.053 5.173 4.120 0.001 0.000 0.310 417 V C -1.286 174.822 176.094 0.023 0.000 1.158 417 V CA -0.889 61.297 62.300 -0.190 0.000 1.029 417 V CB 1.957 33.601 31.823 -0.299 0.000 1.057 417 V HN 0.772 nan 8.190 nan 0.000 0.436 418 A N 2.394 125.103 122.820 -0.184 0.000 2.589 418 A HA 1.028 5.348 4.320 0.001 0.000 0.296 418 A C -1.199 176.238 177.584 -0.244 0.000 1.062 418 A CA -0.294 51.592 52.037 -0.253 0.000 0.686 418 A CB 1.745 20.627 19.000 -0.197 0.000 1.282 418 A HN 2.390 nan 8.150 nan 0.000 0.404 419 F N -0.769 118.813 119.950 -0.613 0.000 2.719 419 F HA 0.834 5.361 4.527 0.001 0.000 0.309 419 F C -0.041 175.500 175.800 -0.432 0.000 1.138 419 F CA -0.281 57.505 58.000 -0.358 0.000 0.943 419 F CB 0.806 39.726 39.000 -0.134 0.000 1.304 419 F HN 1.056 nan 8.300 nan 0.000 0.445 420 G N 0.706 109.572 108.800 0.111 0.000 2.788 420 G HA2 0.719 4.679 3.960 0.001 0.000 0.293 420 G HA3 0.719 4.679 3.960 0.001 0.000 0.293 420 G C -1.540 173.490 174.900 0.217 0.000 1.305 420 G CA -1.329 43.910 45.100 0.231 0.000 1.005 420 G HN 0.606 nan 8.290 nan 0.000 0.496 421 R N 0.159 120.767 120.500 0.181 0.000 2.407 421 R HA 0.504 4.845 4.340 0.001 0.000 0.298 421 R C 0.741 177.084 176.300 0.072 0.000 1.166 421 R CA 0.061 56.246 56.100 0.142 0.000 1.006 421 R CB 0.478 30.853 30.300 0.125 0.000 1.145 421 R HN 1.344 nan 8.270 nan 0.000 0.538 422 G N 3.576 112.421 108.800 0.076 0.000 2.596 422 G HA2 -0.422 3.539 3.960 0.001 0.000 0.295 422 G HA3 -0.422 3.539 3.960 0.001 0.000 0.295 422 G C 0.206 175.129 174.900 0.040 0.000 1.240 422 G CA 0.622 45.751 45.100 0.048 0.000 0.985 422 G HN 0.667 nan 8.290 nan 0.000 0.555 423 N N 0.463 119.175 118.700 0.019 0.000 2.328 423 N HA 0.267 5.007 4.740 0.001 0.000 0.247 423 N C 1.157 176.672 175.510 0.008 0.000 1.165 423 N CA 0.072 53.129 53.050 0.011 0.000 0.873 423 N CB 0.598 39.091 38.487 0.010 0.000 1.125 423 N HN 0.693 nan 8.380 nan 0.000 0.513 424 R N -1.161 119.334 120.500 -0.009 0.000 2.487 424 R HA 0.371 4.711 4.340 0.001 0.000 0.272 424 R C 0.054 176.305 176.300 -0.081 0.000 0.928 424 R CA 0.161 56.242 56.100 -0.031 0.000 1.077 424 R CB 1.267 31.526 30.300 -0.069 0.000 1.265 424 R HN 0.238 nan 8.270 nan 0.000 0.537 425 G N 0.354 109.113 108.800 -0.069 0.000 2.703 425 G HA2 0.506 4.466 3.960 0.001 0.000 0.294 425 G HA3 0.506 4.466 3.960 0.001 0.000 0.294 425 G C -2.083 172.949 174.900 0.219 0.000 1.451 425 G CA -0.385 44.668 45.100 -0.078 0.000 0.869 425 G HN 0.009 nan 8.290 nan 0.000 0.516 426 F N 0.810 120.843 119.950 0.138 0.000 2.628 426 F HA 0.802 5.329 4.527 0.001 0.000 0.309 426 F C -1.282 174.451 175.800 -0.111 0.000 1.108 426 F CA -0.990 56.994 58.000 -0.026 0.000 0.971 426 F CB 2.036 40.969 39.000 -0.111 0.000 1.279 426 F HN 0.532 nan 8.300 nan 0.000 0.441 427 I N 5.509 125.483 120.570 -0.995 0.000 2.722 427 I HA 0.723 4.894 4.170 0.001 0.000 0.295 427 I C -1.826 173.635 176.117 -1.094 0.000 1.161 427 I CA -0.762 59.984 61.300 -0.924 0.000 1.032 427 I CB 1.985 39.421 38.000 -0.940 0.000 1.244 427 I HN 0.382 nan 8.210 nan 0.000 0.421 428 V N 6.919 126.311 119.914 -0.870 0.000 2.588 428 V HA 0.528 4.649 4.120 0.001 0.000 0.304 428 V C -0.942 174.856 176.094 -0.493 0.000 1.042 428 V CA -0.518 61.405 62.300 -0.629 0.000 0.877 428 V CB 1.629 33.027 31.823 -0.708 0.000 0.996 428 V HN 0.467 nan 8.190 nan 0.000 0.425 429 F N 2.393 122.280 119.950 -0.105 0.000 2.522 429 F HA 0.612 5.139 4.527 0.001 0.000 0.324 429 F C 0.270 176.047 175.800 -0.037 0.000 1.077 429 F CA -0.697 57.282 58.000 -0.036 0.000 0.944 429 F CB 1.921 40.868 39.000 -0.088 0.000 1.175 429 F HN 0.468 nan 8.300 nan 0.000 0.468 430 N N 1.705 120.498 118.700 0.155 0.000 2.664 430 N HA 0.169 4.910 4.740 0.001 0.000 0.257 430 N C -0.872 174.616 175.510 -0.037 0.000 1.108 430 N CA -0.226 52.840 53.050 0.027 0.000 0.822 430 N CB 0.357 38.852 38.487 0.013 0.000 1.199 430 N HN 0.548 nan 8.380 nan 0.000 0.529 431 N N 1.677 120.308 118.700 -0.115 0.000 2.273 431 N HA 0.151 4.891 4.740 0.001 0.000 0.231 431 N C -0.999 174.351 175.510 -0.267 0.000 1.134 431 N CA -0.139 52.813 53.050 -0.163 0.000 0.856 431 N CB 0.293 38.669 38.487 -0.186 0.000 1.068 431 N HN 0.479 nan 8.380 nan 0.000 0.510 432 D N -0.493 119.662 120.400 -0.408 0.000 2.340 432 D HA 0.144 4.785 4.640 0.001 0.000 0.251 432 D C -0.037 175.920 176.300 -0.572 0.000 1.080 432 D CA -0.184 53.369 54.000 -0.746 0.000 0.971 432 D CB 1.020 40.947 40.800 -1.455 0.000 1.137 432 D HN 0.097 nan 8.370 nan 0.000 0.475 433 D N 1.002 121.110 120.400 -0.485 0.000 2.344 433 D HA 0.096 4.737 4.640 0.001 0.000 0.242 433 D C 0.082 176.497 176.300 0.193 0.000 1.159 433 D CA 0.107 54.083 54.000 -0.040 0.000 0.859 433 D CB 0.019 40.900 40.800 0.136 0.000 0.925 433 D HN 0.349 nan 8.370 nan 0.000 0.510 434 W N -0.480 120.840 121.300 0.033 0.000 3.018 434 W HA 0.383 5.042 4.660 -0.001 0.000 0.352 434 W C -0.344 176.205 176.519 0.050 0.000 1.230 434 W CA -1.301 56.066 57.345 0.038 0.000 1.162 434 W CB 0.249 29.730 29.460 0.036 0.000 1.483 434 W HN -0.364 nan 8.180 nan 0.000 0.584 435 Q N 1.580 121.564 119.800 0.306 0.000 2.421 435 Q HA 0.334 4.674 4.340 0.001 0.000 0.255 435 Q C -1.168 174.957 176.000 0.208 0.000 1.013 435 Q CA -0.394 55.524 55.803 0.191 0.000 0.895 435 Q CB 0.995 29.837 28.738 0.173 0.000 1.271 435 Q HN 0.717 nan 8.270 nan 0.000 0.460 436 L N 2.296 123.602 121.223 0.138 0.000 2.333 436 L HA 0.534 4.875 4.340 0.001 0.000 0.280 436 L C -1.325 175.630 176.870 0.142 0.000 1.004 436 L CA -0.197 54.739 54.840 0.160 0.000 0.820 436 L CB 1.856 43.990 42.059 0.125 0.000 1.247 436 L HN 0.622 nan 8.230 nan 0.000 0.416 437 S N 3.205 118.995 115.700 0.150 0.000 2.511 437 S HA 0.665 5.136 4.470 0.001 0.000 0.233 437 S C -1.319 173.324 174.600 0.071 0.000 1.104 437 S CA -0.327 57.933 58.200 0.101 0.000 1.129 437 S CB 0.931 64.188 63.200 0.095 0.000 1.159 437 S HN 0.709 nan 8.310 nan 0.000 0.451 438 S N 2.022 117.724 115.700 0.003 0.000 2.579 438 S HA 0.604 5.075 4.470 0.001 0.000 0.272 438 S C -1.074 173.468 174.600 -0.097 0.000 1.141 438 S CA -0.742 57.402 58.200 -0.093 0.000 0.843 438 S CB 2.088 65.080 63.200 -0.347 0.000 1.122 438 S HN 0.568 nan 8.310 nan 0.000 0.468 439 T N 3.096 117.579 114.554 -0.120 0.000 2.929 439 T HA 0.429 4.780 4.350 0.001 0.000 0.331 439 T C -0.722 173.884 174.700 -0.157 0.000 1.120 439 T CA -0.506 61.532 62.100 -0.103 0.000 0.973 439 T CB -0.136 68.687 68.868 -0.075 0.000 1.036 439 T HN 0.182 nan 8.240 nan 0.000 0.502 440 L N 2.789 123.930 121.223 -0.137 0.000 2.343 440 L HA 0.531 4.872 4.340 0.001 0.000 0.275 440 L C 0.432 177.185 176.870 -0.195 0.000 1.056 440 L CA -0.934 53.782 54.840 -0.207 0.000 0.804 440 L CB 0.943 42.870 42.059 -0.220 0.000 1.203 440 L HN 0.541 nan 8.230 nan 0.000 0.440 441 Q N 0.649 120.338 119.800 -0.185 0.000 2.307 441 Q HA 0.181 4.521 4.340 0.001 0.000 0.259 441 Q C 0.807 176.545 176.000 -0.436 0.000 0.998 441 Q CA 0.260 55.937 55.803 -0.211 0.000 0.923 441 Q CB 1.038 29.726 28.738 -0.085 0.000 1.196 441 Q HN 0.777 nan 8.270 nan 0.000 0.416 442 T N 0.491 114.669 114.554 -0.626 0.000 3.035 442 T HA 0.230 4.581 4.350 0.001 0.000 0.259 442 T C 1.323 175.754 174.700 -0.448 0.000 1.078 442 T CA 0.485 61.939 62.100 -1.078 0.000 1.132 442 T CB -0.151 68.165 68.868 -0.920 0.000 0.900 442 T HN 1.066 nan 8.240 nan 0.000 0.480 443 G N 0.917 109.569 108.800 -0.246 0.000 2.179 443 G HA2 -0.166 3.795 3.960 0.001 0.000 0.260 443 G HA3 -0.166 3.795 3.960 0.001 0.000 0.260 443 G C -0.234 174.612 174.900 -0.090 0.000 0.977 443 G CA 0.224 45.261 45.100 -0.105 0.000 0.641 443 G HN 0.577 nan 8.290 nan 0.000 0.533 444 L N 0.855 121.988 121.223 -0.150 0.000 2.375 444 L HA 0.669 5.010 4.340 0.001 0.000 0.268 444 L C -1.692 175.157 176.870 -0.036 0.000 1.058 444 L CA -2.196 52.585 54.840 -0.099 0.000 0.803 444 L CB 0.758 42.669 42.059 -0.246 0.000 1.212 444 L HN -0.144 nan 8.230 nan 0.000 0.451 445 P HA 0.182 nan 4.420 nan 0.000 0.269 445 P C -0.266 177.078 177.300 0.073 0.000 1.215 445 P CA -0.359 62.774 63.100 0.055 0.000 0.780 445 P CB 0.450 32.194 31.700 0.072 0.000 0.898 446 G N 0.689 109.482 108.800 -0.011 0.000 2.441 446 G HA2 0.475 4.436 3.960 0.001 0.000 0.243 446 G HA3 0.475 4.436 3.960 0.001 0.000 0.243 446 G C 0.115 174.977 174.900 -0.062 0.000 1.281 446 G CA 0.446 45.500 45.100 -0.077 0.000 0.854 446 G HN 0.783 nan 8.290 nan 0.000 0.560 447 G N -0.437 108.280 108.800 -0.139 0.000 2.359 447 G HA2 0.419 4.379 3.960 0.001 0.000 0.293 447 G HA3 0.419 4.379 3.960 0.001 0.000 0.293 447 G C -0.753 174.121 174.900 -0.044 0.000 1.300 447 G CA -0.460 44.585 45.100 -0.092 0.000 0.888 447 G HN 0.815 nan 8.290 nan 0.000 0.541 448 T N 1.021 115.556 114.554 -0.031 0.000 2.749 448 T HA 0.640 4.990 4.350 0.001 0.000 0.287 448 T C -1.096 173.531 174.700 -0.121 0.000 0.970 448 T CA 0.127 62.263 62.100 0.061 0.000 0.980 448 T CB 0.712 69.633 68.868 0.088 0.000 0.924 448 T HN 0.382 nan 8.240 nan 0.000 0.456 449 Y N 0.524 120.811 120.300 -0.023 0.000 2.446 449 Y HA 0.457 5.008 4.550 0.001 0.000 0.338 449 Y C 0.467 176.342 175.900 -0.042 0.000 1.055 449 Y CA -1.179 56.897 58.100 -0.040 0.000 1.101 449 Y CB 1.053 39.488 38.460 -0.041 0.000 1.221 449 Y HN 0.574 nan 8.280 nan 0.000 0.460 450 c N 1.952 120.603 118.600 0.086 0.000 2.369 450 c HA 0.214 4.785 4.570 0.001 0.000 0.358 450 c C 0.181 174.281 174.090 0.016 0.000 1.274 450 c CA -0.816 55.527 56.329 0.023 0.000 1.935 450 c CB -0.213 42.284 42.510 -0.022 0.000 2.431 450 c HN 0.766 nan 8.230 nan 0.000 0.545 451 D N 1.537 121.942 120.400 0.007 0.000 2.371 451 D HA 0.160 4.800 4.640 0.001 0.000 0.256 451 D C 0.960 177.234 176.300 -0.043 0.000 1.193 451 D CA -0.276 53.716 54.000 -0.013 0.000 0.881 451 D CB 1.014 41.798 40.800 -0.026 0.000 1.143 451 D HN 0.445 nan 8.370 nan 0.000 0.473 452 V N 2.559 122.450 119.914 -0.038 0.000 3.623 452 V HA 0.044 4.164 4.120 0.001 0.000 0.271 452 V C 1.378 177.444 176.094 -0.047 0.000 1.248 452 V CA 0.232 62.525 62.300 -0.012 0.000 1.156 452 V CB -0.627 31.248 31.823 0.086 0.000 0.870 452 V HN 0.515 nan 8.190 nan 0.000 0.453 453 I N 2.061 122.541 120.570 -0.151 0.000 2.556 453 I HA -0.000 4.171 4.170 0.001 0.000 0.251 453 I C 2.698 178.702 176.117 -0.188 0.000 1.105 453 I CA 1.882 63.021 61.300 -0.269 0.000 1.436 453 I CB -0.981 36.629 38.000 -0.650 0.000 1.139 453 I HN 0.586 nan 8.210 nan 0.000 0.438 454 S N -0.251 115.354 115.700 -0.158 0.000 2.470 454 S HA 0.290 4.761 4.470 0.001 0.000 0.225 454 S C 1.062 175.625 174.600 -0.063 0.000 1.006 454 S CA 0.427 58.564 58.200 -0.105 0.000 0.934 454 S CB 0.088 63.233 63.200 -0.092 0.000 0.778 454 S HN 0.426 nan 8.310 nan 0.000 0.517 455 G N -0.245 108.523 108.800 -0.053 0.000 2.772 455 G HA2 0.546 4.507 3.960 0.001 0.000 0.284 455 G HA3 0.546 4.507 3.960 0.001 0.000 0.284 455 G C -2.244 172.639 174.900 -0.028 0.000 1.217 455 G CA -0.574 44.505 45.100 -0.034 0.000 0.831 455 G HN 0.194 nan 8.290 nan 0.000 0.523 456 D N -0.340 120.042 120.400 -0.030 0.000 2.596 456 D HA 0.320 4.961 4.640 0.001 0.000 0.234 456 D C -1.018 175.255 176.300 -0.045 0.000 1.181 456 D CA -0.548 53.428 54.000 -0.039 0.000 0.856 456 D CB 2.879 43.654 40.800 -0.041 0.000 1.498 456 D HN 0.373 nan 8.370 nan 0.000 0.446 457 K N 1.268 121.633 120.400 -0.058 0.000 2.262 457 K HA 0.406 4.726 4.320 0.001 0.000 0.282 457 K C -1.303 175.264 176.600 -0.056 0.000 1.066 457 K CA -0.373 55.882 56.287 -0.054 0.000 0.901 457 K CB 0.728 33.193 32.500 -0.058 0.000 1.089 457 K HN 0.101 nan 8.250 nan 0.000 0.476 458 V N 5.107 124.994 119.914 -0.045 0.000 2.349 458 V HA 0.361 4.481 4.120 0.001 0.000 0.284 458 V C 0.792 176.865 176.094 -0.035 0.000 1.014 458 V CA 0.153 62.429 62.300 -0.040 0.000 0.826 458 V CB 0.399 32.202 31.823 -0.033 0.000 1.009 458 V HN 1.199 nan 8.190 nan 0.000 0.431 459 G N 5.603 114.382 108.800 -0.034 0.000 2.561 459 G HA2 -0.314 3.646 3.960 0.001 0.000 0.289 459 G HA3 -0.314 3.646 3.960 0.001 0.000 0.289 459 G C 0.446 175.327 174.900 -0.033 0.000 1.169 459 G CA 0.574 45.656 45.100 -0.030 0.000 0.980 459 G HN 1.145 nan 8.290 nan 0.000 0.550 460 N N 1.140 119.822 118.700 -0.031 0.000 2.380 460 N HA 0.422 5.163 4.740 0.001 0.000 0.255 460 N C 0.217 175.705 175.510 -0.036 0.000 1.158 460 N CA 0.946 53.975 53.050 -0.035 0.000 0.878 460 N CB 0.221 38.688 38.487 -0.032 0.000 1.138 460 N HN 1.488 nan 8.380 nan 0.000 0.509 461 S N -1.405 114.274 115.700 -0.035 0.000 2.638 461 S HA 0.679 5.150 4.470 0.001 0.000 0.274 461 S C -1.025 173.556 174.600 -0.033 0.000 1.157 461 S CA -0.800 57.381 58.200 -0.033 0.000 0.826 461 S CB 1.129 64.312 63.200 -0.029 0.000 1.139 461 S HN 0.181 nan 8.310 nan 0.000 0.474 462 c N 1.479 120.062 118.600 -0.029 0.000 2.411 462 c HA 0.746 5.317 4.570 0.001 0.000 0.330 462 c C 2.015 176.089 174.090 -0.026 0.000 1.224 462 c CA 0.008 56.320 56.329 -0.028 0.000 1.770 462 c CB 1.013 43.509 42.510 -0.023 0.000 2.297 462 c HN 1.088 nan 8.230 nan 0.000 0.507 463 T N -1.136 113.401 114.554 -0.027 0.000 3.081 463 T HA 0.304 4.655 4.350 0.001 0.000 0.255 463 T C 0.811 175.496 174.700 -0.025 0.000 1.113 463 T CA 0.764 62.849 62.100 -0.025 0.000 1.082 463 T CB 0.090 68.944 68.868 -0.023 0.000 0.939 463 T HN 0.901 nan 8.240 nan 0.000 0.506 464 G N 0.849 109.632 108.800 -0.028 0.000 3.264 464 G HA2 0.654 4.614 3.960 0.001 0.000 0.168 464 G HA3 0.654 4.614 3.960 0.001 0.000 0.168 464 G C -0.736 174.148 174.900 -0.026 0.000 1.145 464 G CA -1.234 43.848 45.100 -0.030 0.000 0.855 464 G HN 0.406 nan 8.290 nan 0.000 0.629 465 I N 1.098 121.651 120.570 -0.028 0.000 2.692 465 I HA 0.174 4.345 4.170 0.001 0.000 0.284 465 I C 0.150 176.262 176.117 -0.008 0.000 1.159 465 I CA 0.395 61.683 61.300 -0.019 0.000 1.423 465 I CB 0.876 38.865 38.000 -0.018 0.000 1.380 465 I HN 0.119 nan 8.210 nan 0.000 0.580 466 K N 5.050 125.447 120.400 -0.005 0.000 2.206 466 K HA 0.605 4.926 4.320 0.001 0.000 0.264 466 K C -1.255 175.350 176.600 0.009 0.000 0.967 466 K CA -0.670 55.623 56.287 0.010 0.000 0.844 466 K CB 2.296 34.799 32.500 0.004 0.000 1.099 466 K HN 0.287 nan 8.250 nan 0.000 0.441 467 V N 3.686 123.621 119.914 0.034 0.000 2.448 467 V HA 0.202 4.323 4.120 0.001 0.000 0.295 467 V C -1.099 175.027 176.094 0.053 0.000 1.025 467 V CA -0.946 61.335 62.300 -0.032 0.000 0.859 467 V CB 1.037 32.818 31.823 -0.069 0.000 0.988 467 V HN 0.624 nan 8.190 nan 0.000 0.431 468 Y N 4.939 125.164 120.300 -0.125 0.000 2.335 468 Y HA 0.622 5.172 4.550 0.001 0.000 0.339 468 Y C -0.299 175.540 175.900 -0.102 0.000 0.987 468 Y CA -0.697 57.360 58.100 -0.072 0.000 1.140 468 Y CB 1.568 39.978 38.460 -0.083 0.000 1.173 468 Y HN 0.403 nan 8.280 nan 0.000 0.486 469 V N 7.269 126.797 119.914 -0.644 0.000 2.350 469 V HA 0.262 4.382 4.120 0.001 0.000 0.276 469 V C 0.090 175.669 176.094 -0.859 0.000 1.028 469 V CA -0.584 61.382 62.300 -0.557 0.000 0.860 469 V CB 0.684 32.360 31.823 -0.245 0.000 0.990 469 V HN 0.942 nan 8.190 nan 0.000 0.453 470 S N 3.621 118.947 115.700 -0.623 0.000 2.596 470 S HA 0.063 4.533 4.470 0.001 0.000 0.260 470 S C 1.629 176.097 174.600 -0.221 0.000 1.336 470 S CA 0.087 58.059 58.200 -0.380 0.000 0.993 470 S CB 0.843 63.982 63.200 -0.103 0.000 0.923 470 S HN 1.033 nan 8.310 nan 0.000 0.567 471 S N 0.351 115.992 115.700 -0.097 0.000 2.420 471 S HA -0.206 4.265 4.470 0.001 0.000 0.237 471 S C 1.202 175.766 174.600 -0.059 0.000 1.023 471 S CA 1.242 59.407 58.200 -0.058 0.000 0.991 471 S CB -0.876 62.316 63.200 -0.014 0.000 0.792 471 S HN 0.920 nan 8.310 nan 0.000 0.488 472 D N 0.176 120.536 120.400 -0.066 0.000 2.349 472 D HA 0.235 4.875 4.640 0.001 0.000 0.215 472 D C 1.472 177.723 176.300 -0.081 0.000 1.016 472 D CA 0.795 54.760 54.000 -0.058 0.000 0.870 472 D CB -0.454 40.320 40.800 -0.043 0.000 0.917 472 D HN 0.639 nan 8.370 nan 0.000 0.524 473 G N 0.098 108.827 108.800 -0.120 0.000 2.218 473 G HA2 -0.222 3.739 3.960 0.001 0.000 0.216 473 G HA3 -0.222 3.739 3.960 0.001 0.000 0.216 473 G C 0.476 175.254 174.900 -0.204 0.000 0.994 473 G CA 0.245 45.253 45.100 -0.154 0.000 0.637 473 G HN 0.755 nan 8.290 nan 0.000 0.505 474 T N -1.033 113.415 114.554 -0.177 0.000 2.904 474 T HA 0.849 5.199 4.350 0.001 0.000 0.290 474 T C 0.029 174.592 174.700 -0.228 0.000 1.018 474 T CA 0.659 62.649 62.100 -0.184 0.000 1.075 474 T CB 2.191 70.984 68.868 -0.124 0.000 0.986 474 T HN 1.932 nan 8.240 nan 0.000 0.523 475 A N 1.718 124.393 122.820 -0.241 0.000 2.547 475 A HA 0.621 4.942 4.320 0.001 0.000 0.297 475 A C -0.771 176.572 177.584 -0.402 0.000 1.056 475 A CA -0.967 50.848 52.037 -0.369 0.000 0.688 475 A CB 1.917 20.588 19.000 -0.549 0.000 1.282 475 A HN 0.869 nan 8.150 nan 0.000 0.400 476 Q N 1.042 120.607 119.800 -0.392 0.000 2.279 476 Q HA 0.652 4.992 4.340 0.001 0.000 0.256 476 Q C -1.879 173.852 176.000 -0.448 0.000 0.937 476 Q CA 0.423 56.059 55.803 -0.278 0.000 0.933 476 Q CB 0.099 28.749 28.738 -0.146 0.000 1.189 476 Q HN 0.433 nan 8.270 nan 0.000 0.417 477 F N 1.714 121.611 119.950 -0.088 0.000 2.495 477 F HA 0.551 5.079 4.527 0.001 0.000 0.327 477 F C -0.138 175.634 175.800 -0.046 0.000 1.103 477 F CA -0.625 57.335 58.000 -0.068 0.000 0.949 477 F CB 2.429 41.378 39.000 -0.084 0.000 1.142 477 F HN 0.429 nan 8.300 nan 0.000 0.457 478 S N 4.382 120.169 115.700 0.144 0.000 2.774 478 S HA 0.645 5.115 4.470 0.001 0.000 0.297 478 S C -0.792 173.861 174.600 0.089 0.000 1.143 478 S CA -0.457 57.799 58.200 0.093 0.000 1.090 478 S CB 0.599 63.828 63.200 0.048 0.000 1.019 478 S HN 0.402 nan 8.310 nan 0.000 0.482 479 I N 2.201 122.822 120.570 0.086 0.000 2.447 479 I HA 0.363 4.533 4.170 0.001 0.000 0.287 479 I C 0.204 176.354 176.117 0.056 0.000 1.023 479 I CA -0.497 60.840 61.300 0.063 0.000 1.083 479 I CB 1.994 40.028 38.000 0.056 0.000 1.245 479 I HN 0.487 nan 8.210 nan 0.000 0.434 480 S N 4.493 120.220 115.700 0.046 0.000 2.584 480 S HA 0.126 4.596 4.470 0.001 0.000 0.273 480 S C 1.372 175.993 174.600 0.035 0.000 1.311 480 S CA -0.650 57.578 58.200 0.047 0.000 1.034 480 S CB 0.626 63.852 63.200 0.042 0.000 0.939 480 S HN 0.765 nan 8.310 nan 0.000 0.513 481 N N 2.505 121.224 118.700 0.032 0.000 2.459 481 N HA -0.105 4.636 4.740 0.001 0.000 0.181 481 N C 1.170 176.693 175.510 0.022 0.000 1.046 481 N CA 1.111 54.166 53.050 0.009 0.000 0.904 481 N CB -0.397 38.089 38.487 -0.001 0.000 0.964 481 N HN 0.553 nan 8.380 nan 0.000 0.444 482 S N -0.998 114.721 115.700 0.032 0.000 2.556 482 S HA 0.456 4.926 4.470 0.001 0.000 0.216 482 S C 0.817 175.432 174.600 0.026 0.000 0.970 482 S CA -0.500 57.717 58.200 0.029 0.000 0.912 482 S CB -0.068 63.151 63.200 0.032 0.000 0.790 482 S HN 0.482 nan 8.310 nan 0.000 0.504 483 A N 2.869 125.704 122.820 0.026 0.000 2.462 483 A HA 0.344 4.664 4.320 0.001 0.000 0.243 483 A C 1.687 179.286 177.584 0.025 0.000 1.076 483 A CA -0.085 51.964 52.037 0.020 0.000 0.773 483 A CB 0.273 19.285 19.000 0.019 0.000 1.010 483 A HN 0.496 nan 8.150 nan 0.000 0.493 484 E N 1.795 122.002 120.200 0.011 0.000 2.086 484 E HA -0.194 4.156 4.350 0.001 0.000 0.200 484 E C -0.589 176.033 176.600 0.037 0.000 1.012 484 E CA 1.641 58.047 56.400 0.011 0.000 0.812 484 E CB -0.340 29.352 29.700 -0.012 0.000 0.743 484 E HN 0.617 nan 8.360 nan 0.000 0.453 485 D N 1.750 122.164 120.400 0.023 0.000 2.440 485 D HA 0.190 4.830 4.640 0.001 0.000 0.252 485 D C -2.214 174.129 176.300 0.071 0.000 1.180 485 D CA -1.596 52.445 54.000 0.068 0.000 0.894 485 D CB 1.908 42.650 40.800 -0.097 0.000 1.111 485 D HN 0.091 nan 8.370 nan 0.000 0.544 486 P HA 0.086 nan 4.420 nan 0.000 0.246 486 P C -0.773 176.684 177.300 0.262 0.000 1.686 486 P CA -0.150 63.052 63.100 0.170 0.000 0.867 486 P CB -0.819 30.958 31.700 0.129 0.000 1.733 487 F N -1.551 118.337 119.950 -0.102 0.000 2.665 487 F HA 0.630 5.157 4.527 0.000 0.000 0.308 487 F C -1.654 173.985 175.800 -0.270 0.000 1.112 487 F CA -2.080 55.755 58.000 -0.275 0.000 0.972 487 F CB 0.732 39.437 39.000 -0.493 0.000 1.295 487 F HN -0.311 nan 8.300 nan 0.000 0.440 488 I N 2.504 122.889 120.570 -0.309 0.000 2.569 488 I HA 0.825 4.996 4.170 0.001 0.000 0.296 488 I C -0.740 175.203 176.117 -0.290 0.000 1.028 488 I CA -1.213 59.922 61.300 -0.274 0.000 1.082 488 I CB 2.109 40.076 38.000 -0.054 0.000 1.264 488 I HN 1.018 nan 8.210 nan 0.000 0.429 489 A N 7.440 130.141 122.820 -0.197 0.000 2.381 489 A HA 0.867 5.188 4.320 0.001 0.000 0.299 489 A C -0.924 176.705 177.584 0.075 0.000 1.049 489 A CA -0.468 51.503 52.037 -0.110 0.000 0.715 489 A CB 1.294 20.163 19.000 -0.218 0.000 1.222 489 A HN 0.698 nan 8.150 nan 0.000 0.428 490 I N 0.172 120.850 120.570 0.181 0.000 2.730 490 I HA 0.928 5.098 4.170 0.001 0.000 0.298 490 I C -0.691 175.530 176.117 0.173 0.000 1.089 490 I CA -0.920 60.440 61.300 0.100 0.000 1.041 490 I CB 2.365 40.360 38.000 -0.008 0.000 1.235 490 I HN 0.930 nan 8.210 nan 0.000 0.423 491 H N 2.872 122.051 119.070 0.180 0.000 2.966 491 H HA 0.741 5.297 4.556 0.001 0.000 0.330 491 H C 0.458 175.920 175.328 0.224 0.000 1.292 491 H CA -0.394 55.696 56.048 0.069 0.000 1.127 491 H CB 1.238 30.927 29.762 -0.121 0.000 1.863 491 H HN 0.657 nan 8.280 nan 0.000 0.543 492 A N 0.159 123.192 122.820 0.355 0.000 1.997 492 A HA -0.229 4.092 4.320 0.001 0.000 0.221 492 A C 1.427 179.184 177.584 0.288 0.000 1.172 492 A CA 2.074 54.293 52.037 0.304 0.000 0.645 492 A CB -0.846 18.248 19.000 0.156 0.000 0.813 492 A HN 0.814 nan 8.150 nan 0.000 0.454 493 E N -0.296 120.194 120.200 0.482 0.000 2.479 493 E HA 0.012 4.363 4.350 0.001 0.000 0.193 493 E C 1.247 177.976 176.600 0.214 0.000 1.049 493 E CA 0.547 57.175 56.400 0.380 0.000 0.870 493 E CB 0.049 30.055 29.700 0.510 0.000 0.944 493 E HN 0.736 nan 8.360 nan 0.000 0.492 494 S N 0.254 115.970 115.700 0.027 0.000 2.554 494 S HA 0.119 4.590 4.470 0.001 0.000 0.226 494 S C 0.484 175.055 174.600 -0.049 0.000 0.980 494 S CA -0.488 57.651 58.200 -0.102 0.000 0.939 494 S CB 0.117 63.117 63.200 -0.332 0.000 0.832 494 S HN -0.034 nan 8.310 nan 0.000 0.486 495 K N 1.891 122.227 120.400 -0.107 0.000 2.276 495 K HA 0.377 4.698 4.320 0.001 0.000 0.283 495 K C -0.115 176.333 176.600 -0.254 0.000 1.044 495 K CA -0.544 55.479 56.287 -0.440 0.000 0.944 495 K CB 0.492 32.600 32.500 -0.653 0.000 1.012 495 K HN 0.322 nan 8.250 nan 0.000 0.472 496 L N 0.000 121.077 121.223 -0.243 0.000 2.949 496 L HA 0.000 4.341 4.340 0.001 0.000 0.249 496 L CA 0.000 54.757 54.840 -0.139 0.000 0.813 496 L CB 0.000 41.999 42.059 -0.100 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502