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 1onx_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIDYTAAGFT LLQGAHLYAP EDRGICDVLV ANGKIIAVAS NIPSDIVPNC DATA SEQUENCE TVVDLSGQIL CPGFIDQHVH LIGGGGEAGP TTRTPEVALS RLTEAGVTSV DATA SEQUENCE VGLLGTDSIS RHPESLLAKT RALNEEGISA WMLTGAYHVP SRTITGSVEK DATA SEQUENCE DVAIIDRVIG VXCAISDHRS AAPDVYHLAN MAAESRVGGL LGGKPGVTVF DATA SEQUENCE HMGDSKKALQ PIYDLLENCD VPISKLLPTH VNRNVPLFEQ ALEFARKGGT DATA SEQUENCE IDITSSIDEP VAPAEGIARA VQAGIPLARV TLSSDGNGSQ PFFDDEGNLT DATA SEQUENCE HIGVAGFETL LETVQVLVKD YDFSISDALR PLTSSVAGFL NLTGKGEILP DATA SEQUENCE GNDADLLVMT PELRIEQVYA RGKLMVKDGK ACVKGTFET 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.294 176.300 -0.010 0.000 1.140 1 M CA 0.000 55.315 55.300 0.026 0.000 0.988 1 M CB 0.000 32.616 32.600 0.027 0.000 1.302 2 I N 1.992 122.558 120.570 -0.007 0.000 2.353 2 I HA 0.256 4.425 4.170 -0.001 0.000 0.293 2 I C -0.168 175.774 176.117 -0.292 0.000 0.992 2 I CA -0.371 60.811 61.300 -0.197 0.000 1.268 2 I CB 1.325 39.148 38.000 -0.295 0.000 1.387 2 I HN 0.544 nan 8.210 nan 0.000 0.478 3 D N 5.481 125.684 120.400 -0.327 0.000 2.277 3 D HA 0.145 4.784 4.640 -0.001 0.000 0.249 3 D C -0.545 175.548 176.300 -0.345 0.000 1.134 3 D CA 0.319 54.194 54.000 -0.209 0.000 0.863 3 D CB 0.560 41.292 40.800 -0.114 0.000 1.143 3 D HN 0.310 nan 8.370 nan 0.000 0.458 4 Y N 1.046 121.379 120.300 0.054 0.000 2.707 4 Y HA 0.085 4.635 4.550 -0.000 0.000 0.249 4 Y C 2.138 178.043 175.900 0.009 0.000 1.166 4 Y CA -0.134 58.010 58.100 0.072 0.000 1.184 4 Y CB 0.354 38.933 38.460 0.198 0.000 1.240 4 Y HN 0.430 nan 8.280 nan 0.000 0.547 5 T N -2.611 112.001 114.554 0.098 0.000 2.881 5 T HA -0.224 4.125 4.350 -0.001 0.000 0.270 5 T C 2.257 176.927 174.700 -0.050 0.000 1.068 5 T CA 1.126 63.244 62.100 0.031 0.000 1.131 5 T CB -0.295 68.588 68.868 0.025 0.000 0.871 5 T HN 0.334 nan 8.240 nan 0.000 0.479 6 A N 2.158 124.943 122.820 -0.058 0.000 1.958 6 A HA 0.107 4.426 4.320 -0.001 0.000 0.221 6 A C 2.833 180.314 177.584 -0.171 0.000 1.178 6 A CA 2.116 54.100 52.037 -0.089 0.000 0.642 6 A CB -1.456 17.503 19.000 -0.069 0.000 0.816 6 A HN 0.810 nan 8.150 nan 0.000 0.453 7 A N -1.438 121.194 122.820 -0.314 0.000 2.024 7 A HA 0.279 4.599 4.320 -0.001 0.000 0.220 7 A C 2.078 179.336 177.584 -0.544 0.000 1.164 7 A CA 1.621 53.280 52.037 -0.631 0.000 0.643 7 A CB -1.292 16.799 19.000 -1.515 0.000 0.806 7 A HN 2.122 nan 8.150 nan 0.000 0.451 8 G N -1.572 107.027 108.800 -0.337 0.000 2.295 8 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.287 8 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.287 8 G C -0.079 174.757 174.900 -0.107 0.000 1.055 8 G CA 0.020 45.027 45.100 -0.156 0.000 0.922 8 G HN 0.422 nan 8.290 nan 0.000 0.503 9 F N 0.926 120.891 119.950 0.025 0.000 2.541 9 F HA 0.424 4.951 4.527 -0.001 0.000 0.378 9 F C 1.119 176.921 175.800 0.003 0.000 1.068 9 F CA 0.436 58.441 58.000 0.007 0.000 1.199 9 F CB 1.001 40.001 39.000 -0.001 0.000 1.091 9 F HN 0.079 nan 8.300 nan 0.000 0.555 10 T N 5.083 119.754 114.554 0.194 0.000 2.921 10 T HA 0.476 4.826 4.350 -0.001 0.000 0.297 10 T C -1.288 173.430 174.700 0.030 0.000 1.013 10 T CA -0.621 61.530 62.100 0.085 0.000 0.990 10 T CB 1.780 70.669 68.868 0.036 0.000 1.023 10 T HN 0.392 nan 8.240 nan 0.000 0.447 11 L N 3.912 125.139 121.223 0.006 0.000 2.343 11 L HA 0.641 4.981 4.340 -0.001 0.000 0.278 11 L C -1.485 175.362 176.870 -0.039 0.000 0.996 11 L CA -0.646 54.179 54.840 -0.024 0.000 0.831 11 L CB 0.852 42.895 42.059 -0.026 0.000 1.232 11 L HN 0.628 nan 8.230 nan 0.000 0.413 12 L N 5.172 126.354 121.223 -0.067 0.000 2.261 12 L HA 0.477 4.817 4.340 -0.001 0.000 0.289 12 L C -0.060 176.787 176.870 -0.039 0.000 1.059 12 L CA -0.087 54.712 54.840 -0.069 0.000 0.816 12 L CB 1.105 43.088 42.059 -0.126 0.000 1.191 12 L HN 0.683 nan 8.230 nan 0.000 0.431 13 Q N 1.970 121.758 119.800 -0.020 0.000 2.293 13 Q HA 0.420 4.760 4.340 -0.001 0.000 0.261 13 Q C 0.729 176.727 176.000 -0.003 0.000 0.960 13 Q CA -0.116 55.679 55.803 -0.014 0.000 0.882 13 Q CB 1.761 30.493 28.738 -0.011 0.000 1.275 13 Q HN 0.800 nan 8.270 nan 0.000 0.445 14 G N 2.308 111.102 108.800 -0.010 0.000 2.366 14 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.299 14 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.299 14 G C -0.108 174.797 174.900 0.009 0.000 1.020 14 G CA 0.423 45.518 45.100 -0.008 0.000 1.026 14 G HN 0.733 nan 8.290 nan 0.000 0.512 15 A N -0.727 122.104 122.820 0.019 0.000 2.269 15 A HA 0.791 5.111 4.320 -0.001 0.000 0.327 15 A C 0.070 177.700 177.584 0.077 0.000 1.112 15 A CA -0.314 51.758 52.037 0.059 0.000 0.865 15 A CB 0.788 19.829 19.000 0.069 0.000 1.227 15 A HN 0.868 nan 8.150 nan 0.000 0.498 16 H N 0.302 119.372 119.070 -0.001 0.000 2.723 16 H HA 0.446 5.002 4.556 -0.001 0.000 0.294 16 H C -0.835 174.422 175.328 -0.119 0.000 1.079 16 H CA -0.613 55.390 56.048 -0.076 0.000 1.411 16 H CB 0.564 30.311 29.762 -0.024 0.000 1.439 16 H HN 0.509 nan 8.280 nan 0.000 0.474 17 L N 6.555 127.818 121.223 0.067 0.000 2.289 17 L HA 0.252 4.591 4.340 -0.001 0.000 0.285 17 L C -1.692 175.045 176.870 -0.221 0.000 1.049 17 L CA -0.356 54.476 54.840 -0.014 0.000 0.804 17 L CB 0.396 42.451 42.059 -0.007 0.000 1.195 17 L HN 0.607 nan 8.230 nan 0.000 0.428 18 Y N 4.642 125.004 120.300 0.102 0.000 2.555 18 Y HA 0.497 5.047 4.550 -0.001 0.000 0.326 18 Y C 0.919 176.862 175.900 0.071 0.000 0.984 18 Y CA -0.454 57.693 58.100 0.078 0.000 1.298 18 Y CB 1.568 40.056 38.460 0.047 0.000 1.094 18 Y HN 0.767 nan 8.280 nan 0.000 0.500 19 A N 4.025 126.937 122.820 0.154 0.000 2.239 19 A HA 0.030 4.349 4.320 -0.001 0.000 0.209 19 A C -0.894 176.761 177.584 0.117 0.000 1.171 19 A CA 0.145 52.250 52.037 0.114 0.000 0.768 19 A CB -0.980 18.061 19.000 0.069 0.000 0.790 19 A HN 0.496 nan 8.150 nan 0.000 0.478 20 P HA -0.118 nan 4.420 nan 0.000 0.218 20 P C -0.013 177.417 177.300 0.218 0.000 1.148 20 P CA 0.761 63.974 63.100 0.189 0.000 0.822 20 P CB -0.216 31.576 31.700 0.153 0.000 0.784 21 E N 1.310 121.598 120.200 0.147 0.000 2.829 21 E HA -0.068 4.282 4.350 -0.001 0.000 0.264 21 E C 0.454 177.124 176.600 0.116 0.000 0.922 21 E CA 0.533 57.009 56.400 0.127 0.000 0.960 21 E CB -0.671 29.076 29.700 0.078 0.000 0.918 21 E HN 0.140 nan 8.360 nan 0.000 0.497 22 D N 2.636 123.111 120.400 0.124 0.000 2.412 22 D HA -0.068 4.571 4.640 -0.001 0.000 0.257 22 D C 0.045 176.323 176.300 -0.037 0.000 1.217 22 D CA 0.192 54.189 54.000 -0.005 0.000 0.897 22 D CB 0.451 41.302 40.800 0.084 0.000 1.132 22 D HN 0.295 nan 8.370 nan 0.000 0.493 23 R N 2.808 123.250 120.500 -0.096 0.000 2.509 23 R HA 0.260 4.600 4.340 -0.001 0.000 0.300 23 R C 1.318 177.535 176.300 -0.139 0.000 0.985 23 R CA 0.111 56.164 56.100 -0.078 0.000 1.092 23 R CB 0.305 30.575 30.300 -0.049 0.000 1.237 23 R HN 0.688 nan 8.270 nan 0.000 0.546 24 G N 1.993 110.659 108.800 -0.222 0.000 2.575 24 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.267 24 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.267 24 G C -0.142 174.466 174.900 -0.487 0.000 1.264 24 G CA -0.354 44.432 45.100 -0.523 0.000 0.935 24 G HN 0.205 nan 8.290 nan 0.000 0.568 25 I N 0.906 121.230 120.570 -0.410 0.000 2.363 25 I HA 0.477 4.646 4.170 -0.001 0.000 0.292 25 I C 0.728 176.766 176.117 -0.132 0.000 1.075 25 I CA 0.261 61.425 61.300 -0.225 0.000 1.333 25 I CB 0.472 38.370 38.000 -0.170 0.000 1.415 25 I HN 0.720 nan 8.210 nan 0.000 0.502 26 C N 5.593 124.840 119.300 -0.089 0.000 2.994 26 C HA 0.505 4.964 4.460 -0.001 0.000 0.305 26 C C -0.659 174.306 174.990 -0.040 0.000 1.251 26 C CA -0.630 58.352 59.018 -0.061 0.000 1.478 26 C CB 1.679 29.384 27.740 -0.059 0.000 1.922 26 C HN 0.681 nan 8.230 nan 0.000 0.472 27 D N 1.117 121.495 120.400 -0.038 0.000 2.340 27 D HA 0.648 5.288 4.640 -0.001 0.000 0.251 27 D C -0.876 175.405 176.300 -0.033 0.000 1.080 27 D CA 0.088 54.067 54.000 -0.034 0.000 0.971 27 D CB 1.826 42.605 40.800 -0.036 0.000 1.137 27 D HN 0.338 nan 8.370 nan 0.000 0.475 28 V N 1.995 121.886 119.914 -0.039 0.000 2.569 28 V HA 0.272 4.392 4.120 -0.001 0.000 0.301 28 V C -0.880 175.187 176.094 -0.045 0.000 1.044 28 V CA -0.830 61.445 62.300 -0.042 0.000 0.874 28 V CB 1.951 33.743 31.823 -0.051 0.000 1.002 28 V HN 0.279 nan 8.190 nan 0.000 0.424 29 L N 6.446 127.652 121.223 -0.028 0.000 2.313 29 L HA 0.810 5.149 4.340 -0.001 0.000 0.283 29 L C -0.524 176.355 176.870 0.015 0.000 1.013 29 L CA 0.038 54.871 54.840 -0.011 0.000 0.816 29 L CB 1.710 43.760 42.059 -0.015 0.000 1.236 29 L HN 0.467 nan 8.230 nan 0.000 0.419 30 V N 3.967 123.902 119.914 0.035 0.000 2.715 30 V HA 0.987 5.107 4.120 -0.001 0.000 0.310 30 V C -0.291 175.878 176.094 0.126 0.000 1.054 30 V CA -0.322 62.007 62.300 0.047 0.000 0.928 30 V CB 1.588 33.404 31.823 -0.011 0.000 1.007 30 V HN 0.990 nan 8.190 nan 0.000 0.437 31 A N 2.498 125.369 122.820 0.084 0.000 2.540 31 A HA 0.645 4.964 4.320 -0.001 0.000 0.297 31 A C -0.038 177.535 177.584 -0.018 0.000 1.056 31 A CA -0.574 51.485 52.037 0.037 0.000 0.700 31 A CB 1.044 20.131 19.000 0.145 0.000 1.280 31 A HN 0.947 nan 8.150 nan 0.000 0.398 32 N N 0.869 119.519 118.700 -0.083 0.000 2.708 32 N HA -0.246 4.494 4.740 -0.001 0.000 0.249 32 N C 1.061 176.560 175.510 -0.019 0.000 1.097 32 N CA 2.553 55.568 53.050 -0.059 0.000 0.710 32 N CB -1.177 37.279 38.487 -0.051 0.000 1.032 32 N HN 2.401 nan 8.380 nan 0.000 0.551 33 G N -1.600 107.196 108.800 -0.006 0.000 2.162 33 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.260 33 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.260 33 G C 0.009 174.922 174.900 0.021 0.000 0.976 33 G CA 0.983 46.091 45.100 0.014 0.000 0.655 33 G HN 0.461 nan 8.290 nan 0.000 0.533 34 K N -0.067 120.345 120.400 0.019 0.000 2.208 34 K HA 0.602 4.922 4.320 -0.001 0.000 0.247 34 K C 0.306 176.922 176.600 0.027 0.000 0.953 34 K CA -1.001 55.302 56.287 0.026 0.000 0.837 34 K CB 1.890 34.407 32.500 0.028 0.000 1.131 34 K HN 0.167 nan 8.250 nan 0.000 0.431 35 I N 3.940 124.524 120.570 0.024 0.000 2.322 35 I HA 0.062 4.232 4.170 -0.001 0.000 0.292 35 I C 1.516 177.648 176.117 0.025 0.000 1.060 35 I CA -0.011 61.300 61.300 0.018 0.000 1.309 35 I CB 0.199 38.207 38.000 0.014 0.000 1.415 35 I HN 0.588 nan 8.210 nan 0.000 0.492 36 I N 3.311 123.900 120.570 0.032 0.000 3.645 36 I HA 0.502 4.671 4.170 -0.001 0.000 0.300 36 I C 0.732 176.860 176.117 0.019 0.000 1.260 36 I CA 0.108 61.430 61.300 0.035 0.000 1.365 36 I CB 0.307 38.344 38.000 0.062 0.000 1.077 36 I HN 0.481 nan 8.210 nan 0.000 0.439 37 A N 0.601 123.425 122.820 0.008 0.000 2.555 37 A HA 0.728 5.048 4.320 -0.001 0.000 0.297 37 A C -1.263 176.314 177.584 -0.010 0.000 1.060 37 A CA -0.448 51.586 52.037 -0.004 0.000 0.710 37 A CB 1.489 20.481 19.000 -0.013 0.000 1.282 37 A HN -0.041 nan 8.150 nan 0.000 0.399 38 V N 0.805 120.712 119.914 -0.011 0.000 2.482 38 V HA 0.896 5.015 4.120 -0.001 0.000 0.295 38 V C 0.199 176.281 176.094 -0.020 0.000 1.026 38 V CA 0.320 62.611 62.300 -0.015 0.000 0.856 38 V CB 0.912 32.730 31.823 -0.008 0.000 1.001 38 V HN 2.120 nan 8.190 nan 0.000 0.424 39 A N 3.016 125.820 122.820 -0.026 0.000 2.586 39 A HA 0.761 5.081 4.320 -0.001 0.000 0.291 39 A C -0.590 176.972 177.584 -0.036 0.000 1.062 39 A CA -0.526 51.493 52.037 -0.030 0.000 0.666 39 A CB 1.494 20.477 19.000 -0.028 0.000 1.281 39 A HN 0.552 nan 8.150 nan 0.000 0.421 40 S N 1.774 117.451 115.700 -0.038 0.000 2.549 40 S HA 0.401 4.871 4.470 -0.001 0.000 0.279 40 S C 0.175 174.752 174.600 -0.038 0.000 1.321 40 S CA -0.035 58.139 58.200 -0.042 0.000 1.054 40 S CB -0.318 62.854 63.200 -0.046 0.000 0.899 40 S HN 0.819 nan 8.310 nan 0.000 0.497 41 N N 2.128 120.805 118.700 -0.038 0.000 2.537 41 N HA -0.171 4.569 4.740 -0.001 0.000 0.286 41 N C -1.029 174.459 175.510 -0.037 0.000 1.245 41 N CA 0.588 53.616 53.050 -0.035 0.000 0.704 41 N CB -1.022 37.446 38.487 -0.033 0.000 0.910 41 N HN 0.542 nan 8.380 nan 0.000 0.542 42 I N 1.879 122.425 120.570 -0.040 0.000 2.359 42 I HA 0.260 4.429 4.170 -0.001 0.000 0.294 42 I C -1.739 174.348 176.117 -0.050 0.000 0.987 42 I CA -2.034 59.238 61.300 -0.047 0.000 1.225 42 I CB 1.332 39.302 38.000 -0.050 0.000 1.366 42 I HN -0.045 nan 8.210 nan 0.000 0.466 43 P HA 0.027 nan 4.420 nan 0.000 0.264 43 P C 0.731 177.990 177.300 -0.069 0.000 1.229 43 P CA -0.011 63.053 63.100 -0.060 0.000 0.780 43 P CB 0.427 32.088 31.700 -0.066 0.000 0.808 44 S N 1.772 117.439 115.700 -0.056 0.000 2.488 44 S HA -0.218 4.252 4.470 -0.001 0.000 0.246 44 S C 0.997 175.552 174.600 -0.074 0.000 0.992 44 S CA 1.456 59.622 58.200 -0.056 0.000 0.963 44 S CB -0.694 62.484 63.200 -0.036 0.000 0.754 44 S HN 0.535 nan 8.310 nan 0.000 0.519 45 D N -0.027 120.323 120.400 -0.082 0.000 2.398 45 D HA 0.190 4.830 4.640 -0.001 0.000 0.210 45 D C 1.222 177.439 176.300 -0.138 0.000 1.094 45 D CA -0.484 53.457 54.000 -0.098 0.000 0.839 45 D CB -0.555 40.203 40.800 -0.071 0.000 0.963 45 D HN 0.347 nan 8.370 nan 0.000 0.506 46 I N 1.173 121.655 120.570 -0.147 0.000 2.315 46 I HA -0.153 4.016 4.170 -0.001 0.000 0.251 46 I C 0.283 176.237 176.117 -0.273 0.000 1.125 46 I CA 0.964 62.160 61.300 -0.175 0.000 1.392 46 I CB 0.108 38.018 38.000 -0.149 0.000 1.065 46 I HN 0.116 nan 8.210 nan 0.000 0.424 47 V N -3.087 116.607 119.914 -0.367 0.000 2.925 47 V HA 0.644 4.764 4.120 -0.001 0.000 0.311 47 V C -2.660 173.152 176.094 -0.471 0.000 1.104 47 V CA -1.965 59.968 62.300 -0.612 0.000 0.954 47 V CB 1.006 32.084 31.823 -1.242 0.000 1.022 47 V HN -0.145 nan 8.190 nan 0.000 0.427 48 P HA 0.241 nan 4.420 nan 0.000 0.271 48 P C 0.033 177.353 177.300 0.033 0.000 1.233 48 P CA 0.080 63.025 63.100 -0.259 0.000 0.789 48 P CB -0.111 31.202 31.700 -0.644 0.000 0.951 49 N N -2.825 115.953 118.700 0.129 0.000 2.701 49 N HA -0.209 4.530 4.740 -0.001 0.000 0.252 49 N C -0.124 175.517 175.510 0.218 0.000 1.002 49 N CA 0.177 53.348 53.050 0.201 0.000 0.758 49 N CB -1.336 37.326 38.487 0.292 0.000 0.937 49 N HN 0.415 nan 8.380 nan 0.000 0.538 50 C N 0.272 119.646 119.300 0.124 0.000 2.466 50 C HA 0.372 4.832 4.460 -0.001 0.000 0.379 50 C C 0.867 175.911 174.990 0.091 0.000 1.251 50 C CA -0.158 58.934 59.018 0.123 0.000 2.263 50 C CB 0.491 28.233 27.740 0.003 0.000 2.511 50 C HN 0.374 nan 8.230 nan 0.000 0.573 51 T N 4.977 119.591 114.554 0.101 0.000 2.743 51 T HA 0.428 4.777 4.350 -0.001 0.000 0.292 51 T C -0.393 174.339 174.700 0.053 0.000 0.972 51 T CA -0.214 61.930 62.100 0.075 0.000 0.967 51 T CB 0.717 69.636 68.868 0.086 0.000 0.926 51 T HN 0.567 nan 8.240 nan 0.000 0.459 52 V N 4.485 124.421 119.914 0.037 0.000 2.439 52 V HA 0.506 4.626 4.120 -0.001 0.000 0.282 52 V C 0.014 176.125 176.094 0.029 0.000 1.039 52 V CA -0.767 61.547 62.300 0.022 0.000 0.913 52 V CB 1.522 33.349 31.823 0.008 0.000 0.983 52 V HN 0.625 nan 8.190 nan 0.000 0.460 53 V N 3.133 123.061 119.914 0.023 0.000 2.444 53 V HA 0.333 4.453 4.120 -0.001 0.000 0.294 53 V C -0.429 175.680 176.094 0.025 0.000 1.022 53 V CA -0.583 61.739 62.300 0.036 0.000 0.850 53 V CB 1.807 33.665 31.823 0.058 0.000 0.992 53 V HN 0.963 nan 8.190 nan 0.000 0.426 54 D N 4.377 124.795 120.400 0.030 0.000 2.365 54 D HA 0.279 4.919 4.640 -0.001 0.000 0.237 54 D C 0.608 176.927 176.300 0.033 0.000 1.190 54 D CA 0.014 54.029 54.000 0.025 0.000 0.867 54 D CB 0.770 41.583 40.800 0.022 0.000 1.050 54 D HN 0.471 nan 8.370 nan 0.000 0.491 55 L N 2.742 123.983 121.223 0.031 0.000 2.700 55 L HA 0.119 4.459 4.340 -0.001 0.000 0.234 55 L C 0.683 177.580 176.870 0.045 0.000 1.156 55 L CA -0.297 54.569 54.840 0.043 0.000 0.946 55 L CB -0.476 41.611 42.059 0.045 0.000 1.216 55 L HN 0.379 nan 8.230 nan 0.000 0.493 56 S N 0.212 115.932 115.700 0.034 0.000 2.593 56 S HA 0.201 4.671 4.470 -0.001 0.000 0.300 56 S C 1.365 175.992 174.600 0.045 0.000 1.267 56 S CA 0.458 58.678 58.200 0.034 0.000 1.065 56 S CB 0.910 64.124 63.200 0.023 0.000 0.807 56 S HN 0.611 nan 8.310 nan 0.000 0.499 57 G N 2.446 111.279 108.800 0.055 0.000 2.234 57 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.235 57 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.235 57 G C -0.123 174.824 174.900 0.078 0.000 0.997 57 G CA 0.299 45.437 45.100 0.062 0.000 0.623 57 G HN 0.856 nan 8.290 nan 0.000 0.514 58 Q N -0.377 119.473 119.800 0.083 0.000 2.333 58 Q HA 0.820 5.159 4.340 -0.001 0.000 0.266 58 Q C 0.155 176.233 176.000 0.130 0.000 1.053 58 Q CA -0.719 55.141 55.803 0.094 0.000 0.890 58 Q CB 1.728 30.513 28.738 0.078 0.000 1.337 58 Q HN 0.379 nan 8.270 nan 0.000 0.474 59 I N 1.316 121.965 120.570 0.132 0.000 2.412 59 I HA 0.406 4.576 4.170 -0.001 0.000 0.296 59 I C -1.213 174.997 176.117 0.155 0.000 0.987 59 I CA -0.903 60.507 61.300 0.182 0.000 1.180 59 I CB 1.347 39.448 38.000 0.168 0.000 1.340 59 I HN 0.335 nan 8.210 nan 0.000 0.455 60 L N 8.196 129.527 121.223 0.181 0.000 2.386 60 L HA 0.782 5.121 4.340 -0.001 0.000 0.271 60 L C -0.518 176.452 176.870 0.166 0.000 0.993 60 L CA -0.008 54.910 54.840 0.132 0.000 0.819 60 L CB 1.454 43.562 42.059 0.083 0.000 1.294 60 L HN 0.939 nan 8.230 nan 0.000 0.414 61 C N 1.904 121.278 119.300 0.124 0.000 3.316 61 C HA 0.841 5.301 4.460 -0.001 0.000 0.360 61 C C -2.779 172.264 174.990 0.088 0.000 1.560 61 C CA -1.703 57.397 59.018 0.137 0.000 1.229 61 C CB 1.394 29.234 27.740 0.166 0.000 1.823 61 C HN 0.689 nan 8.230 nan 0.000 0.440 62 P HA 0.417 nan 4.420 nan 0.000 0.278 62 P C 0.132 177.470 177.300 0.063 0.000 1.238 62 P CA 0.780 63.938 63.100 0.096 0.000 0.794 62 P CB 0.339 32.114 31.700 0.124 0.000 0.955 63 G N 1.899 110.719 108.800 0.033 0.000 2.483 63 G HA2 0.329 4.289 3.960 -0.001 0.000 0.248 63 G HA3 0.329 4.289 3.960 -0.001 0.000 0.248 63 G C -0.605 174.366 174.900 0.118 0.000 1.248 63 G CA -0.291 44.779 45.100 -0.050 0.000 0.838 63 G HN 0.214 nan 8.290 nan 0.000 0.566 64 F N 0.122 120.107 119.950 0.058 0.000 2.459 64 F HA 0.330 4.857 4.527 -0.001 0.000 0.346 64 F C 0.987 176.831 175.800 0.074 0.000 1.128 64 F CA -1.199 56.838 58.000 0.061 0.000 1.268 64 F CB 0.632 39.665 39.000 0.055 0.000 1.161 64 F HN 0.150 nan 8.300 nan 0.000 0.583 65 I N 2.588 123.335 120.570 0.294 0.000 2.330 65 I HA 0.176 4.346 4.170 -0.001 0.000 0.286 65 I C -0.504 175.719 176.117 0.177 0.000 1.025 65 I CA -0.560 60.867 61.300 0.211 0.000 1.197 65 I CB 1.092 39.192 38.000 0.167 0.000 1.358 65 I HN 0.366 nan 8.210 nan 0.000 0.467 66 D N 6.820 127.335 120.400 0.190 0.000 2.427 66 D HA 0.107 4.746 4.640 -0.001 0.000 0.226 66 D C 0.526 176.939 176.300 0.189 0.000 1.076 66 D CA -0.388 53.724 54.000 0.188 0.000 0.849 66 D CB 1.153 42.098 40.800 0.242 0.000 1.052 66 D HN 0.603 nan 8.370 nan 0.000 0.515 67 Q N 2.381 122.280 119.800 0.166 0.000 2.225 67 Q HA 0.070 4.409 4.340 -0.001 0.000 0.222 67 Q C -0.489 175.611 176.000 0.165 0.000 0.887 67 Q CA -0.091 55.806 55.803 0.156 0.000 0.958 67 Q CB -0.096 28.724 28.738 0.137 0.000 1.058 67 Q HN 0.458 nan 8.270 nan 0.000 0.459 68 H N -0.602 118.517 119.070 0.083 0.000 2.643 68 H HA 0.416 4.971 4.556 -0.001 0.000 0.229 68 H C -1.836 173.527 175.328 0.058 0.000 1.410 68 H CA -0.472 55.600 56.048 0.039 0.000 1.458 68 H CB 0.654 30.425 29.762 0.015 0.000 1.792 68 H HN 0.117 nan 8.280 nan 0.000 0.563 69 V N 2.566 122.528 119.914 0.081 0.000 2.735 69 V HA 0.185 4.305 4.120 -0.001 0.000 0.310 69 V C 0.095 176.150 176.094 -0.066 0.000 1.061 69 V CA -0.927 61.473 62.300 0.167 0.000 0.913 69 V CB 1.930 33.946 31.823 0.321 0.000 1.005 69 V HN 0.687 nan 8.190 nan 0.000 0.428 70 H N 5.134 124.306 119.070 0.170 0.000 2.745 70 H HA 0.286 4.842 4.556 -0.000 0.000 0.235 70 H C 1.139 176.539 175.328 0.119 0.000 1.815 70 H CA -0.112 56.001 56.048 0.108 0.000 1.321 70 H CB 0.456 30.268 29.762 0.084 0.000 1.716 70 H HN 0.550 nan 8.280 nan 0.000 0.546 71 L N 1.316 122.628 121.223 0.147 0.000 2.034 71 L HA -0.268 4.072 4.340 -0.001 0.000 0.217 71 L C 2.319 179.262 176.870 0.121 0.000 1.077 71 L CA 1.848 56.766 54.840 0.129 0.000 0.769 71 L CB -0.300 41.803 42.059 0.072 0.000 0.890 71 L HN 0.543 nan 8.230 nan 0.000 0.435 72 I N -3.007 117.629 120.570 0.110 0.000 3.793 72 I HA 0.426 4.596 4.170 -0.001 0.000 0.315 72 I C 0.801 176.976 176.117 0.096 0.000 1.275 72 I CA 0.319 61.675 61.300 0.093 0.000 1.214 72 I CB -0.203 37.843 38.000 0.077 0.000 1.018 72 I HN 0.219 nan 8.210 nan 0.000 0.439 73 G N 0.156 109.032 108.800 0.126 0.000 2.497 73 G HA2 0.295 4.254 3.960 -0.001 0.000 0.686 73 G HA3 0.295 4.254 3.960 -0.001 0.000 0.686 73 G C -0.544 174.401 174.900 0.075 0.000 1.288 73 G CA -0.598 44.556 45.100 0.090 0.000 0.899 73 G HN 0.742 nan 8.290 nan 0.000 0.608 74 G N -1.714 107.073 108.800 -0.022 0.000 2.894 74 G HA2 0.996 4.956 3.960 -0.001 0.000 0.164 74 G HA3 0.996 4.956 3.960 -0.001 0.000 0.164 74 G C 1.137 175.958 174.900 -0.131 0.000 1.180 74 G CA 1.402 46.428 45.100 -0.123 0.000 0.997 74 G HN 2.840 nan 8.290 nan 0.000 0.572 75 G N -1.376 107.309 108.800 -0.192 0.000 2.598 75 G HA2 0.375 4.335 3.960 -0.001 0.000 0.244 75 G HA3 0.375 4.335 3.960 -0.001 0.000 0.244 75 G C 1.479 176.314 174.900 -0.107 0.000 1.302 75 G CA 1.615 46.634 45.100 -0.135 0.000 0.903 75 G HN 2.726 nan 8.290 nan 0.000 0.575 76 G N -2.235 106.521 108.800 -0.073 0.000 2.195 76 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.224 76 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.224 76 G C 0.791 175.671 174.900 -0.033 0.000 0.990 76 G CA 1.052 46.120 45.100 -0.053 0.000 0.639 76 G HN 1.356 nan 8.290 nan 0.000 0.514 77 E N 0.278 120.463 120.200 -0.024 0.000 2.331 77 E HA 0.315 4.664 4.350 -0.001 0.000 0.199 77 E C 1.813 178.435 176.600 0.037 0.000 1.008 77 E CA 1.292 57.719 56.400 0.046 0.000 0.843 77 E CB 0.004 29.777 29.700 0.122 0.000 0.761 77 E HN 1.034 nan 8.360 nan 0.000 0.507 78 A N 0.253 123.065 122.820 -0.013 0.000 3.105 78 A HA 0.622 4.942 4.320 -0.001 0.000 0.297 78 A C 0.291 177.866 177.584 -0.016 0.000 0.977 78 A CA 0.024 52.049 52.037 -0.020 0.000 1.020 78 A CB -0.271 18.694 19.000 -0.059 0.000 1.098 78 A HN 0.155 nan 8.150 nan 0.000 0.497 79 G N 0.688 109.484 108.800 -0.006 0.000 2.699 79 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.686 79 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.686 79 G C -1.744 173.146 174.900 -0.017 0.000 1.301 79 G CA -0.280 44.814 45.100 -0.010 0.000 0.816 79 G HN 0.130 nan 8.290 nan 0.000 0.595 80 P HA -0.089 nan 4.420 nan 0.000 0.221 80 P C 1.983 179.273 177.300 -0.017 0.000 1.145 80 P CA 2.427 65.519 63.100 -0.014 0.000 0.795 80 P CB -0.245 31.450 31.700 -0.009 0.000 0.775 81 T N -3.751 110.792 114.554 -0.018 0.000 3.035 81 T HA -0.072 4.278 4.350 -0.001 0.000 0.268 81 T C 1.451 176.135 174.700 -0.027 0.000 1.109 81 T CA 1.551 63.639 62.100 -0.021 0.000 1.119 81 T CB -1.535 67.320 68.868 -0.020 0.000 0.900 81 T HN 0.233 nan 8.240 nan 0.000 0.503 82 T N -0.694 113.841 114.554 -0.032 0.000 3.188 82 T HA 0.272 4.622 4.350 -0.001 0.000 0.250 82 T C 0.626 175.299 174.700 -0.044 0.000 1.077 82 T CA -0.706 61.369 62.100 -0.042 0.000 0.967 82 T CB -0.404 68.434 68.868 -0.052 0.000 1.006 82 T HN 0.336 nan 8.240 nan 0.000 0.552 83 R N 3.153 123.633 120.500 -0.034 0.000 2.316 83 R HA 0.341 4.681 4.340 -0.001 0.000 0.314 83 R C 0.799 177.083 176.300 -0.026 0.000 1.069 83 R CA -0.174 55.905 56.100 -0.034 0.000 0.959 83 R CB 0.437 30.725 30.300 -0.020 0.000 0.987 83 R HN 0.488 nan 8.270 nan 0.000 0.446 84 T N 1.045 115.579 114.554 -0.033 0.000 2.788 84 T HA 0.366 4.716 4.350 -0.001 0.000 0.287 84 T C -2.021 172.685 174.700 0.010 0.000 1.007 84 T CA -1.599 60.492 62.100 -0.015 0.000 1.005 84 T CB 0.993 69.845 68.868 -0.026 0.000 1.012 84 T HN 0.283 nan 8.240 nan 0.000 0.530 85 P HA 0.288 nan 4.420 nan 0.000 0.281 85 P C -0.077 177.265 177.300 0.070 0.000 1.264 85 P CA -0.736 62.389 63.100 0.043 0.000 0.824 85 P CB 0.494 32.219 31.700 0.041 0.000 1.092 86 E N -0.187 120.057 120.200 0.073 0.000 2.435 86 E HA 0.210 4.560 4.350 -0.001 0.000 0.256 86 E C -0.647 176.021 176.600 0.113 0.000 1.245 86 E CA -0.771 55.684 56.400 0.092 0.000 0.989 86 E CB 0.093 29.841 29.700 0.079 0.000 0.983 86 E HN 0.028 nan 8.360 nan 0.000 0.480 87 V N 0.597 120.589 119.914 0.129 0.000 2.539 87 V HA 0.464 4.584 4.120 -0.001 0.000 0.292 87 V C 0.019 176.168 176.094 0.091 0.000 1.045 87 V CA -0.236 62.157 62.300 0.155 0.000 0.945 87 V CB 1.157 33.095 31.823 0.192 0.000 0.993 87 V HN 0.796 nan 8.190 nan 0.000 0.464 88 A N 3.849 126.719 122.820 0.083 0.000 2.305 88 A HA 0.576 4.896 4.320 -0.001 0.000 0.322 88 A C 0.674 178.252 177.584 -0.009 0.000 1.187 88 A CA -0.472 51.589 52.037 0.040 0.000 0.825 88 A CB 0.860 19.889 19.000 0.048 0.000 1.164 88 A HN 0.950 nan 8.150 nan 0.000 0.498 89 L N 3.869 125.076 121.223 -0.027 0.000 1.987 89 L HA -0.297 4.043 4.340 -0.001 0.000 0.230 89 L C 2.710 179.537 176.870 -0.072 0.000 1.089 89 L CA 3.484 58.287 54.840 -0.061 0.000 0.802 89 L CB -0.773 41.249 42.059 -0.060 0.000 0.905 89 L HN 0.966 nan 8.230 nan 0.000 0.441 90 S N -0.709 114.962 115.700 -0.048 0.000 2.407 90 S HA -0.295 4.174 4.470 -0.001 0.000 0.235 90 S C 2.128 176.703 174.600 -0.042 0.000 1.036 90 S CA 1.452 59.626 58.200 -0.043 0.000 1.013 90 S CB -0.803 62.383 63.200 -0.024 0.000 0.820 90 S HN 0.586 nan 8.310 nan 0.000 0.476 91 R N 0.619 121.101 120.500 -0.030 0.000 2.096 91 R HA 0.064 4.403 4.340 -0.001 0.000 0.235 91 R C 2.377 178.596 176.300 -0.136 0.000 1.127 91 R CA 1.458 57.553 56.100 -0.008 0.000 0.968 91 R CB -0.754 29.598 30.300 0.086 0.000 0.861 91 R HN 0.499 nan 8.270 nan 0.000 0.440 92 L N -0.082 120.986 121.223 -0.258 0.000 2.007 92 L HA -0.151 4.189 4.340 -0.001 0.000 0.205 92 L C 2.798 179.552 176.870 -0.194 0.000 1.073 92 L CA 1.843 56.451 54.840 -0.386 0.000 0.744 92 L CB -0.985 40.861 42.059 -0.355 0.000 0.898 92 L HN 0.303 nan 8.230 nan 0.000 0.435 93 T N -2.515 111.958 114.554 -0.135 0.000 2.635 93 T HA -0.276 4.074 4.350 -0.001 0.000 0.267 93 T C 1.626 176.275 174.700 -0.084 0.000 1.040 93 T CA 1.633 63.671 62.100 -0.103 0.000 1.156 93 T CB -0.610 68.201 68.868 -0.095 0.000 0.863 93 T HN 0.315 nan 8.240 nan 0.000 0.430 94 E N 1.717 121.881 120.200 -0.061 0.000 2.171 94 E HA -0.078 4.272 4.350 -0.001 0.000 0.197 94 E C 2.267 178.864 176.600 -0.005 0.000 0.997 94 E CA 1.089 57.471 56.400 -0.030 0.000 0.810 94 E CB -0.357 29.340 29.700 -0.005 0.000 0.738 94 E HN 0.737 nan 8.360 nan 0.000 0.467 95 A N -0.229 122.597 122.820 0.009 0.000 2.238 95 A HA 0.266 4.586 4.320 -0.001 0.000 0.208 95 A C 1.630 179.260 177.584 0.077 0.000 1.177 95 A CA 0.794 52.884 52.037 0.088 0.000 0.804 95 A CB -0.213 18.883 19.000 0.160 0.000 0.823 95 A HN 0.343 nan 8.150 nan 0.000 0.482 96 G N -1.672 107.086 108.800 -0.070 0.000 2.176 96 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.253 96 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.253 96 G C 0.149 174.923 174.900 -0.210 0.000 0.979 96 G CA 0.100 45.026 45.100 -0.290 0.000 0.641 96 G HN 0.812 nan 8.290 nan 0.000 0.530 97 V N 1.867 121.765 119.914 -0.027 0.000 2.455 97 V HA 0.529 4.649 4.120 -0.001 0.000 0.273 97 V C 1.468 177.550 176.094 -0.020 0.000 1.045 97 V CA 0.995 63.314 62.300 0.032 0.000 0.976 97 V CB 1.092 32.907 31.823 -0.013 0.000 0.993 97 V HN 0.694 nan 8.190 nan 0.000 0.475 98 T N -0.282 114.289 114.554 0.028 0.000 2.959 98 T HA 0.222 4.572 4.350 -0.001 0.000 0.254 98 T C 0.603 175.340 174.700 0.061 0.000 1.003 98 T CA -0.067 62.046 62.100 0.022 0.000 0.950 98 T CB 0.453 69.337 68.868 0.026 0.000 1.090 98 T HN 0.448 nan 8.240 nan 0.000 0.503 99 S N 0.423 116.195 115.700 0.121 0.000 2.571 99 S HA 0.759 5.229 4.470 -0.001 0.000 0.284 99 S C -1.465 173.261 174.600 0.210 0.000 1.128 99 S CA -0.605 57.720 58.200 0.208 0.000 0.970 99 S CB 2.326 65.717 63.200 0.318 0.000 1.039 99 S HN 0.339 nan 8.310 nan 0.000 0.485 100 V N 3.817 123.864 119.914 0.222 0.000 3.007 100 V HA 0.735 4.855 4.120 -0.001 0.000 0.311 100 V C -1.444 174.815 176.094 0.275 0.000 1.120 100 V CA -0.474 61.944 62.300 0.198 0.000 0.980 100 V CB 2.284 34.161 31.823 0.091 0.000 1.033 100 V HN 0.620 nan 8.190 nan 0.000 0.429 101 V N 5.203 125.246 119.914 0.216 0.000 2.350 101 V HA 0.685 4.805 4.120 -0.001 0.000 0.285 101 V C 0.699 176.845 176.094 0.086 0.000 1.014 101 V CA 0.084 62.498 62.300 0.190 0.000 0.831 101 V CB 1.231 33.146 31.823 0.154 0.000 1.000 101 V HN 1.059 nan 8.190 nan 0.000 0.433 102 G N 4.910 113.749 108.800 0.066 0.000 2.420 102 G HA2 0.707 4.667 3.960 -0.001 0.000 0.284 102 G HA3 0.707 4.667 3.960 -0.001 0.000 0.284 102 G C -0.962 173.901 174.900 -0.062 0.000 1.177 102 G CA -0.270 44.829 45.100 -0.003 0.000 0.841 102 G HN 0.755 nan 8.290 nan 0.000 0.527 103 L N -0.784 120.343 121.223 -0.159 0.000 2.630 103 L HA 0.742 5.081 4.340 -0.001 0.000 0.258 103 L C -0.751 176.023 176.870 -0.161 0.000 1.072 103 L CA -1.254 53.480 54.840 -0.177 0.000 0.885 103 L CB 0.968 42.869 42.059 -0.263 0.000 1.502 103 L HN 0.411 nan 8.230 nan 0.000 0.406 104 L N -0.633 120.560 121.223 -0.051 0.000 2.304 104 L HA 0.976 5.315 4.340 -0.001 0.000 0.268 104 L C 0.554 177.502 176.870 0.130 0.000 1.010 104 L CA -0.127 54.750 54.840 0.060 0.000 0.813 104 L CB 1.646 43.718 42.059 0.022 0.000 1.315 104 L HN 1.004 nan 8.230 nan 0.000 0.445 105 G N -0.932 107.919 108.800 0.085 0.000 3.359 105 G HA2 0.177 4.137 3.960 -0.001 0.000 0.187 105 G HA3 0.177 4.137 3.960 -0.001 0.000 0.187 105 G C 0.653 175.164 174.900 -0.649 0.000 1.294 105 G CA 0.510 45.559 45.100 -0.086 0.000 0.769 105 G HN 0.481 nan 8.290 nan 0.000 0.733 106 T N 0.788 114.652 114.554 -1.151 0.000 2.652 106 T HA -0.052 4.298 4.350 -0.001 0.000 0.267 106 T C 0.737 175.171 174.700 -0.444 0.000 1.039 106 T CA 1.656 63.077 62.100 -1.132 0.000 1.153 106 T CB -0.254 68.166 68.868 -0.747 0.000 0.863 106 T HN 0.360 nan 8.240 nan 0.000 0.428 107 D N 1.745 121.965 120.400 -0.299 0.000 2.339 107 D HA 0.211 4.851 4.640 -0.001 0.000 0.241 107 D C 0.091 176.295 176.300 -0.159 0.000 1.183 107 D CA -0.358 53.534 54.000 -0.180 0.000 0.859 107 D CB 0.538 41.256 40.800 -0.137 0.000 1.067 107 D HN 0.232 nan 8.370 nan 0.000 0.484 108 S N 3.292 118.897 115.700 -0.159 0.000 2.711 108 S HA 0.249 4.718 4.470 -0.001 0.000 0.247 108 S C 1.141 175.576 174.600 -0.275 0.000 1.079 108 S CA -0.599 57.483 58.200 -0.197 0.000 1.050 108 S CB -0.101 63.017 63.200 -0.136 0.000 0.885 108 S HN 0.521 nan 8.310 nan 0.000 0.498 109 I N 1.290 121.717 120.570 -0.238 0.000 3.971 109 I HA 0.085 4.255 4.170 -0.001 0.000 0.303 109 I C 2.121 178.134 176.117 -0.172 0.000 1.233 109 I CA 0.882 62.061 61.300 -0.202 0.000 1.346 109 I CB -0.209 37.729 38.000 -0.104 0.000 1.273 109 I HN 0.554 nan 8.210 nan 0.000 0.448 110 S N 0.812 116.445 115.700 -0.113 0.000 2.540 110 S HA 0.249 4.719 4.470 -0.001 0.000 0.218 110 S C 0.782 175.415 174.600 0.056 0.000 0.977 110 S CA -0.390 57.830 58.200 0.033 0.000 0.918 110 S CB 0.274 63.489 63.200 0.025 0.000 0.806 110 S HN 0.132 nan 8.310 nan 0.000 0.496 111 R N 1.793 122.185 120.500 -0.180 0.000 2.599 111 R HA 0.520 4.860 4.340 -0.001 0.000 0.295 111 R C -0.972 175.103 176.300 -0.376 0.000 0.963 111 R CA -0.339 55.707 56.100 -0.089 0.000 0.883 111 R CB 1.037 31.308 30.300 -0.049 0.000 1.171 111 R HN 0.502 nan 8.270 nan 0.000 0.450 112 H N 1.713 120.782 119.070 -0.003 0.000 2.768 112 H HA 0.221 4.777 4.556 -0.001 0.000 0.371 112 H C -1.872 173.457 175.328 0.003 0.000 1.151 112 H CA -1.937 54.109 56.048 -0.004 0.000 1.165 112 H CB 2.622 32.380 29.762 -0.006 0.000 1.722 112 H HN 0.157 nan 8.280 nan 0.000 0.543 113 P HA -0.125 nan 4.420 nan 0.000 0.218 113 P C 0.889 178.228 177.300 0.065 0.000 1.149 113 P CA 1.150 64.288 63.100 0.063 0.000 0.817 113 P CB 0.471 32.195 31.700 0.041 0.000 0.785 114 E N -0.391 119.857 120.200 0.079 0.000 2.110 114 E HA -0.102 4.248 4.350 -0.001 0.000 0.193 114 E C 2.131 178.756 176.600 0.041 0.000 0.988 114 E CA 1.350 57.778 56.400 0.047 0.000 0.804 114 E CB -0.896 28.821 29.700 0.029 0.000 0.745 114 E HN 0.207 nan 8.360 nan 0.000 0.458 115 S N 0.613 116.352 115.700 0.066 0.000 2.355 115 S HA -0.113 4.356 4.470 -0.001 0.000 0.222 115 S C 1.849 176.477 174.600 0.046 0.000 1.031 115 S CA 0.775 59.006 58.200 0.052 0.000 0.993 115 S CB -0.309 62.939 63.200 0.079 0.000 0.859 115 S HN 0.160 nan 8.310 nan 0.000 0.453 116 L N 1.810 123.065 121.223 0.054 0.000 2.042 116 L HA -0.026 4.314 4.340 -0.001 0.000 0.210 116 L C 2.094 178.979 176.870 0.025 0.000 1.076 116 L CA 1.396 56.260 54.840 0.040 0.000 0.749 116 L CB -0.734 41.348 42.059 0.038 0.000 0.893 116 L HN 0.291 nan 8.230 nan 0.000 0.432 117 L N -0.122 121.115 121.223 0.024 0.000 2.012 117 L HA -0.113 4.227 4.340 -0.001 0.000 0.210 117 L C 2.484 179.353 176.870 -0.001 0.000 1.073 117 L CA 2.165 57.012 54.840 0.011 0.000 0.748 117 L CB -1.101 40.966 42.059 0.014 0.000 0.891 117 L HN 0.273 nan 8.230 nan 0.000 0.431 118 A N -0.526 122.297 122.820 0.005 0.000 1.902 118 A HA -0.244 4.075 4.320 -0.001 0.000 0.217 118 A C 2.348 179.929 177.584 -0.005 0.000 1.181 118 A CA 1.887 53.924 52.037 -0.001 0.000 0.623 118 A CB -0.628 18.375 19.000 0.006 0.000 0.818 118 A HN 0.470 nan 8.150 nan 0.000 0.443 119 K N -0.288 120.115 120.400 0.006 0.000 2.097 119 K HA -0.081 4.239 4.320 -0.001 0.000 0.206 119 K C 1.886 178.475 176.600 -0.019 0.000 1.049 119 K CA 2.217 58.507 56.287 0.005 0.000 0.933 119 K CB -0.855 31.660 32.500 0.025 0.000 0.717 119 K HN 0.373 nan 8.250 nan 0.000 0.442 120 T N 0.798 115.336 114.554 -0.026 0.000 2.708 120 T HA -0.100 4.250 4.350 -0.001 0.000 0.266 120 T C 1.739 176.380 174.700 -0.099 0.000 1.037 120 T CA 1.581 63.644 62.100 -0.062 0.000 1.146 120 T CB -0.177 68.661 68.868 -0.050 0.000 0.865 120 T HN 0.311 nan 8.240 nan 0.000 0.435 121 R N 1.090 121.543 120.500 -0.078 0.000 2.092 121 R HA 0.088 4.428 4.340 -0.001 0.000 0.231 121 R C 2.827 179.078 176.300 -0.082 0.000 1.119 121 R CA 1.138 57.185 56.100 -0.088 0.000 0.970 121 R CB -0.506 29.757 30.300 -0.061 0.000 0.864 121 R HN 0.354 nan 8.270 nan 0.000 0.440 122 A N 1.667 124.451 122.820 -0.059 0.000 1.940 122 A HA -0.138 4.182 4.320 -0.001 0.000 0.219 122 A C 2.216 179.756 177.584 -0.074 0.000 1.176 122 A CA 1.202 53.205 52.037 -0.056 0.000 0.631 122 A CB -0.532 18.448 19.000 -0.033 0.000 0.814 122 A HN 0.175 nan 8.150 nan 0.000 0.446 123 L N -0.387 120.788 121.223 -0.081 0.000 2.083 123 L HA -0.189 4.150 4.340 -0.001 0.000 0.209 123 L C 2.354 179.153 176.870 -0.119 0.000 1.083 123 L CA 1.125 55.909 54.840 -0.094 0.000 0.752 123 L CB -0.619 41.385 42.059 -0.092 0.000 0.899 123 L HN 0.405 nan 8.230 nan 0.000 0.433 124 N N -0.026 118.586 118.700 -0.147 0.000 2.142 124 N HA -0.200 4.539 4.740 -0.001 0.000 0.186 124 N C 1.782 177.222 175.510 -0.117 0.000 1.023 124 N CA 1.188 54.139 53.050 -0.165 0.000 0.852 124 N CB -0.062 38.305 38.487 -0.200 0.000 0.998 124 N HN 0.389 nan 8.380 nan 0.000 0.424 125 E N 0.906 121.046 120.200 -0.100 0.000 2.110 125 E HA -0.155 4.195 4.350 -0.001 0.000 0.193 125 E C 1.310 177.862 176.600 -0.080 0.000 0.988 125 E CA 0.975 57.326 56.400 -0.082 0.000 0.804 125 E CB 0.094 29.750 29.700 -0.073 0.000 0.745 125 E HN 0.420 nan 8.360 nan 0.000 0.458 126 E N -1.715 118.434 120.200 -0.085 0.000 2.274 126 E HA -0.055 4.295 4.350 -0.001 0.000 0.194 126 E C 1.180 177.733 176.600 -0.078 0.000 0.996 126 E CA 0.605 56.954 56.400 -0.084 0.000 0.840 126 E CB 0.423 30.070 29.700 -0.088 0.000 0.772 126 E HN 0.400 nan 8.360 nan 0.000 0.491 127 G N 0.508 109.261 108.800 -0.079 0.000 2.977 127 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.211 127 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.211 127 G C 0.347 175.207 174.900 -0.066 0.000 0.994 127 G CA 0.031 45.091 45.100 -0.067 0.000 0.795 127 G HN 0.225 nan 8.290 nan 0.000 0.518 128 I N -1.240 119.280 120.570 -0.084 0.000 3.775 128 I HA 0.910 5.080 4.170 -0.001 0.000 0.272 128 I C -0.132 175.907 176.117 -0.128 0.000 1.292 128 I CA -1.230 60.021 61.300 -0.081 0.000 1.050 128 I CB 1.725 39.681 38.000 -0.073 0.000 1.422 128 I HN -0.078 nan 8.210 nan 0.000 0.561 129 S N 0.734 116.352 115.700 -0.137 0.000 2.502 129 S HA 0.836 5.306 4.470 -0.001 0.000 0.304 129 S C -0.665 173.680 174.600 -0.424 0.000 1.097 129 S CA -0.548 57.461 58.200 -0.318 0.000 1.045 129 S CB 1.514 64.606 63.200 -0.179 0.000 1.019 129 S HN 0.876 nan 8.310 nan 0.000 0.481 130 A N 3.123 125.496 122.820 -0.745 0.000 2.486 130 A HA 0.853 5.172 4.320 -0.001 0.000 0.300 130 A C -1.537 175.634 177.584 -0.690 0.000 1.048 130 A CA -0.746 50.998 52.037 -0.489 0.000 0.696 130 A CB 1.300 20.157 19.000 -0.237 0.000 1.278 130 A HN 0.775 nan 8.150 nan 0.000 0.405 131 W N 0.728 122.029 121.300 0.002 0.000 3.060 131 W HA 0.711 5.371 4.660 -0.000 0.000 0.346 131 W C -0.283 176.231 176.519 -0.009 0.000 1.194 131 W CA -0.474 56.869 57.345 -0.003 0.000 1.105 131 W CB 2.040 31.498 29.460 -0.003 0.000 1.487 131 W HN 0.979 nan 8.180 nan 0.000 0.592 132 M N 0.363 120.108 119.600 0.241 0.000 2.755 132 M HA 0.695 5.175 4.480 -0.001 0.000 0.273 132 M C -2.222 174.127 176.300 0.081 0.000 1.278 132 M CA -0.932 54.438 55.300 0.116 0.000 0.819 132 M CB 2.573 35.210 32.600 0.062 0.000 1.694 132 M HN 0.280 nan 8.290 nan 0.000 0.460 133 L N 0.985 122.225 121.223 0.027 0.000 2.329 133 L HA 0.587 4.927 4.340 -0.001 0.000 0.279 133 L C 0.222 177.090 176.870 -0.003 0.000 1.014 133 L CA -0.689 54.151 54.840 -0.001 0.000 0.814 133 L CB 1.946 43.986 42.059 -0.033 0.000 1.257 133 L HN 0.905 nan 8.230 nan 0.000 0.424 134 T N 1.058 115.610 114.554 -0.004 0.000 2.810 134 T HA 0.672 5.022 4.350 -0.001 0.000 0.277 134 T C 0.360 175.056 174.700 -0.007 0.000 0.973 134 T CA 0.744 62.844 62.100 0.000 0.000 0.949 134 T CB 1.163 70.033 68.868 0.004 0.000 1.075 134 T HN 0.978 nan 8.240 nan 0.000 0.537 135 G N 0.258 109.060 108.800 0.004 0.000 2.693 135 G HA2 0.399 4.359 3.960 -0.001 0.000 0.226 135 G HA3 0.399 4.359 3.960 -0.001 0.000 0.226 135 G C -0.181 174.734 174.900 0.025 0.000 1.354 135 G CA -0.292 44.816 45.100 0.014 0.000 0.873 135 G HN 1.741 nan 8.290 nan 0.000 0.562 136 A N -3.617 119.238 122.820 0.059 0.000 2.799 136 A HA 0.711 5.031 4.320 -0.001 0.000 0.308 136 A C 0.555 178.261 177.584 0.203 0.000 1.108 136 A CA 0.648 52.749 52.037 0.108 0.000 0.600 136 A CB -0.569 18.468 19.000 0.061 0.000 1.452 136 A HN 1.556 nan 8.150 nan 0.000 0.617 137 Y N 1.084 121.375 120.300 -0.015 0.000 2.151 137 Y HA -0.126 4.424 4.550 -0.000 0.000 0.284 137 Y C 1.572 177.468 175.900 -0.007 0.000 1.166 137 Y CA 1.766 59.844 58.100 -0.037 0.000 1.163 137 Y CB -0.765 37.644 38.460 -0.085 0.000 0.974 137 Y HN 0.619 nan 8.280 nan 0.000 0.511 138 H N 0.664 119.808 119.070 0.122 0.000 3.094 138 H HA 0.183 4.739 4.556 -0.001 0.000 0.320 138 H C -0.907 174.435 175.328 0.023 0.000 1.000 138 H CA 0.568 56.644 56.048 0.047 0.000 1.413 138 H CB 0.488 30.259 29.762 0.016 0.000 1.405 138 H HN -0.112 nan 8.280 nan 0.000 0.586 139 V N 8.296 127.952 119.914 -0.430 0.000 2.623 139 V HA 0.206 4.325 4.120 -0.001 0.000 0.304 139 V C -2.115 173.754 176.094 -0.374 0.000 1.054 139 V CA -1.606 60.563 62.300 -0.219 0.000 0.882 139 V CB 1.817 33.563 31.823 -0.128 0.000 1.002 139 V HN 0.743 nan 8.190 nan 0.000 0.424 140 P HA 0.177 nan 4.420 nan 0.000 0.269 140 P C 0.055 177.488 177.300 0.222 0.000 1.215 140 P CA 0.053 63.234 63.100 0.135 0.000 0.780 140 P CB 0.450 32.268 31.700 0.195 0.000 0.898 141 S N 1.752 117.526 115.700 0.124 0.000 2.558 141 S HA 0.053 4.523 4.470 -0.001 0.000 0.288 141 S C 0.466 175.122 174.600 0.093 0.000 1.318 141 S CA -0.077 58.185 58.200 0.104 0.000 1.056 141 S CB -0.157 63.067 63.200 0.040 0.000 0.853 141 S HN 0.248 nan 8.310 nan 0.000 0.505 142 R N 2.241 122.779 120.500 0.063 0.000 2.198 142 R HA 0.323 4.662 4.340 -0.001 0.000 0.339 142 R C 0.558 176.866 176.300 0.015 0.000 1.020 142 R CA -0.317 55.790 56.100 0.013 0.000 0.864 142 R CB 0.738 31.011 30.300 -0.046 0.000 1.105 142 R HN 0.737 nan 8.270 nan 0.000 0.463 143 T N -1.469 113.096 114.554 0.019 0.000 2.919 143 T HA 0.426 4.776 4.350 -0.001 0.000 0.282 143 T C 1.314 176.028 174.700 0.024 0.000 1.020 143 T CA -0.896 61.216 62.100 0.020 0.000 0.994 143 T CB 1.034 69.913 68.868 0.018 0.000 1.180 143 T HN 0.329 nan 8.240 nan 0.000 0.566 144 I N 0.739 121.324 120.570 0.024 0.000 2.277 144 I HA -0.022 4.148 4.170 -0.001 0.000 0.243 144 I C 2.686 178.816 176.117 0.021 0.000 1.094 144 I CA 1.418 62.734 61.300 0.026 0.000 1.393 144 I CB -0.267 37.748 38.000 0.024 0.000 1.078 144 I HN 0.931 nan 8.210 nan 0.000 0.417 145 T N -2.481 112.083 114.554 0.018 0.000 3.086 145 T HA 0.359 4.709 4.350 -0.001 0.000 0.250 145 T C 1.415 176.124 174.700 0.015 0.000 1.074 145 T CA 0.419 62.528 62.100 0.015 0.000 0.988 145 T CB 0.674 69.549 68.868 0.012 0.000 0.988 145 T HN 0.539 nan 8.240 nan 0.000 0.530 146 G N 0.411 109.221 108.800 0.017 0.000 2.194 146 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.236 146 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.236 146 G C 0.095 175.005 174.900 0.017 0.000 0.987 146 G CA 0.149 45.260 45.100 0.019 0.000 0.635 146 G HN 1.247 nan 8.290 nan 0.000 0.520 147 S N -1.285 114.423 115.700 0.013 0.000 2.548 147 S HA 0.611 5.081 4.470 -0.001 0.000 0.276 147 S C 1.165 175.767 174.600 0.004 0.000 1.129 147 S CA 0.359 58.564 58.200 0.009 0.000 0.931 147 S CB 1.968 65.172 63.200 0.007 0.000 1.068 147 S HN 0.747 nan 8.310 nan 0.000 0.480 148 V N 4.192 124.105 119.914 -0.003 0.000 2.343 148 V HA -0.093 4.027 4.120 -0.001 0.000 0.247 148 V C 2.570 178.657 176.094 -0.011 0.000 1.051 148 V CA 2.465 64.760 62.300 -0.009 0.000 1.036 148 V CB -0.737 31.073 31.823 -0.022 0.000 0.654 148 V HN 1.010 nan 8.190 nan 0.000 0.451 149 E N 0.111 120.304 120.200 -0.011 0.000 2.058 149 E HA -0.310 4.040 4.350 -0.001 0.000 0.194 149 E C 2.317 178.915 176.600 -0.004 0.000 0.997 149 E CA 1.837 58.231 56.400 -0.010 0.000 0.801 149 E CB -0.108 29.587 29.700 -0.008 0.000 0.746 149 E HN 0.525 nan 8.360 nan 0.000 0.450 150 K N 0.148 120.548 120.400 0.000 0.000 2.057 150 K HA -0.184 4.136 4.320 -0.001 0.000 0.207 150 K C 1.691 178.294 176.600 0.006 0.000 1.049 150 K CA 1.935 58.224 56.287 0.004 0.000 0.931 150 K CB 0.039 32.543 32.500 0.006 0.000 0.714 150 K HN 0.085 nan 8.250 nan 0.000 0.440 151 D N -0.108 120.295 120.400 0.006 0.000 2.097 151 D HA -0.142 4.498 4.640 -0.001 0.000 0.195 151 D C 1.842 178.147 176.300 0.010 0.000 0.989 151 D CA 1.218 55.224 54.000 0.009 0.000 0.827 151 D CB -0.159 40.647 40.800 0.010 0.000 0.966 151 D HN 0.018 nan 8.370 nan 0.000 0.456 152 V N 0.908 120.824 119.914 0.002 0.000 2.427 152 V HA -0.169 3.951 4.120 -0.001 0.000 0.248 152 V C 2.367 178.463 176.094 0.003 0.000 1.051 152 V CA 1.697 63.997 62.300 -0.000 0.000 1.048 152 V CB -0.795 31.020 31.823 -0.014 0.000 0.666 152 V HN 0.191 nan 8.190 nan 0.000 0.456 153 A N 0.590 123.411 122.820 0.002 0.000 1.930 153 A HA -0.002 4.317 4.320 -0.001 0.000 0.215 153 A C 2.108 179.697 177.584 0.009 0.000 1.176 153 A CA 1.753 53.792 52.037 0.003 0.000 0.632 153 A CB -0.332 18.668 19.000 0.001 0.000 0.819 153 A HN 0.699 nan 8.150 nan 0.000 0.445 154 I N -4.083 116.493 120.570 0.011 0.000 4.057 154 I HA 0.423 4.593 4.170 -0.001 0.000 0.334 154 I C -0.293 175.835 176.117 0.018 0.000 1.308 154 I CA -0.163 61.145 61.300 0.014 0.000 1.125 154 I CB 0.372 38.378 38.000 0.011 0.000 1.034 154 I HN -0.034 nan 8.210 nan 0.000 0.401 155 I N 4.158 124.741 120.570 0.022 0.000 2.307 155 I HA 0.096 4.266 4.170 -0.001 0.000 0.289 155 I C 1.246 177.388 176.117 0.041 0.000 1.021 155 I CA -0.302 61.014 61.300 0.027 0.000 1.224 155 I CB 1.180 39.195 38.000 0.025 0.000 1.376 155 I HN 0.184 nan 8.210 nan 0.000 0.470 156 D N 6.399 126.824 120.400 0.041 0.000 2.191 156 D HA -0.280 4.359 4.640 -0.001 0.000 0.195 156 D C 1.432 177.795 176.300 0.105 0.000 1.003 156 D CA 1.707 55.744 54.000 0.061 0.000 0.867 156 D CB 0.087 40.912 40.800 0.043 0.000 0.926 156 D HN 0.345 nan 8.370 nan 0.000 0.450 157 R N 0.089 120.640 120.500 0.085 0.000 2.297 157 R HA 0.220 4.559 4.340 -0.001 0.000 0.197 157 R C 0.252 176.670 176.300 0.198 0.000 0.943 157 R CA -0.185 55.995 56.100 0.133 0.000 1.038 157 R CB -0.378 29.932 30.300 0.018 0.000 0.957 157 R HN 0.180 nan 8.270 nan 0.000 0.484 158 V N 3.718 123.704 119.914 0.121 0.000 2.455 158 V HA 0.107 4.227 4.120 -0.001 0.000 0.273 158 V C 1.683 177.822 176.094 0.075 0.000 1.045 158 V CA -0.071 62.282 62.300 0.089 0.000 0.976 158 V CB 1.016 32.867 31.823 0.047 0.000 0.993 158 V HN 0.208 nan 8.190 nan 0.000 0.475 159 I N 1.650 122.252 120.570 0.054 0.000 4.057 159 I HA 0.704 4.873 4.170 -0.001 0.000 0.334 159 I C 0.697 176.783 176.117 -0.051 0.000 1.308 159 I CA 0.391 61.677 61.300 -0.022 0.000 1.125 159 I CB 0.558 38.496 38.000 -0.103 0.000 1.034 159 I HN 0.670 nan 8.210 nan 0.000 0.401 160 G N 0.594 109.376 108.800 -0.029 0.000 2.335 160 G HA2 0.401 4.361 3.960 -0.001 0.000 0.291 160 G HA3 0.401 4.361 3.960 -0.001 0.000 0.291 160 G C -1.876 172.999 174.900 -0.042 0.000 1.261 160 G CA 0.131 45.204 45.100 -0.046 0.000 0.871 160 G HN 0.001 nan 8.290 nan 0.000 0.491 164 A N 0.768 123.503 122.820 -0.143 0.000 2.449 164 A HA 0.976 5.296 4.320 -0.001 0.000 0.302 164 A C -0.799 176.735 177.584 -0.084 0.000 1.048 164 A CA -0.217 51.681 52.037 -0.232 0.000 0.708 164 A CB 1.038 19.507 19.000 -0.886 0.000 1.274 164 A HN 2.188 nan 8.150 nan 0.000 0.410 165 I N -1.930 118.634 120.570 -0.010 0.000 3.074 165 I HA 0.716 4.885 4.170 -0.001 0.000 0.310 165 I C 0.214 176.299 176.117 -0.053 0.000 1.153 165 I CA -0.793 60.499 61.300 -0.012 0.000 0.993 165 I CB 2.000 40.024 38.000 0.039 0.000 1.237 165 I HN 0.676 nan 8.210 nan 0.000 0.443 166 S N 1.022 116.686 115.700 -0.059 0.000 3.559 166 S HA -0.199 4.271 4.470 -0.001 0.000 0.369 166 S C -0.419 174.137 174.600 -0.073 0.000 0.987 166 S CA 1.285 59.446 58.200 -0.064 0.000 1.187 166 S CB -1.680 61.474 63.200 -0.077 0.000 0.914 166 S HN 0.968 nan 8.310 nan 0.000 0.480 167 D N -0.701 119.648 120.400 -0.084 0.000 2.756 167 D HA 0.300 4.940 4.640 -0.001 0.000 0.226 167 D C 0.629 176.822 176.300 -0.179 0.000 1.186 167 D CA -0.659 53.255 54.000 -0.144 0.000 0.845 167 D CB 1.038 41.756 40.800 -0.137 0.000 1.610 167 D HN 0.396 nan 8.370 nan 0.000 0.465 168 H N 1.173 120.170 119.070 -0.121 0.000 2.563 168 H HA 0.220 4.775 4.556 -0.000 0.000 0.272 168 H C 0.897 176.140 175.328 -0.142 0.000 1.005 168 H CA 0.697 56.656 56.048 -0.148 0.000 1.171 168 H CB 0.093 29.721 29.762 -0.223 0.000 1.351 168 H HN 0.086 nan 8.280 nan 0.000 0.602 169 R N 0.572 120.812 120.500 -0.433 0.000 2.437 169 R HA 0.143 4.483 4.340 -0.001 0.000 0.257 169 R C 0.296 176.600 176.300 0.007 0.000 0.927 169 R CA 0.352 56.348 56.100 -0.174 0.000 1.078 169 R CB 0.670 30.884 30.300 -0.143 0.000 1.161 169 R HN 0.392 nan 8.270 nan 0.000 0.529 170 S N -0.452 115.206 115.700 -0.070 0.000 2.617 170 S HA 0.266 4.736 4.470 -0.001 0.000 0.259 170 S C 1.079 175.652 174.600 -0.044 0.000 1.301 170 S CA -0.225 57.939 58.200 -0.061 0.000 0.984 170 S CB 1.617 64.760 63.200 -0.095 0.000 0.954 170 S HN 0.169 nan 8.310 nan 0.000 0.572 171 A N 0.300 123.062 122.820 -0.096 0.000 2.275 171 A HA 0.647 4.967 4.320 -0.001 0.000 0.212 171 A C 1.340 178.838 177.584 -0.143 0.000 1.201 171 A CA 0.388 52.325 52.037 -0.166 0.000 0.843 171 A CB -1.425 17.321 19.000 -0.424 0.000 0.873 171 A HN 2.330 nan 8.150 nan 0.000 0.492 172 A N -0.310 122.452 122.820 -0.098 0.000 2.869 172 A HA -0.088 4.231 4.320 -0.001 0.000 0.280 172 A C -1.295 176.233 177.584 -0.094 0.000 1.458 172 A CA 0.374 52.365 52.037 -0.077 0.000 0.776 172 A CB -2.599 16.366 19.000 -0.058 0.000 1.028 172 A HN 0.545 nan 8.150 nan 0.000 0.547 173 P HA 0.375 nan 4.420 nan 0.000 0.268 173 P C -0.022 177.261 177.300 -0.028 0.000 1.208 173 P CA 0.633 63.675 63.100 -0.096 0.000 0.777 173 P CB 0.466 32.145 31.700 -0.036 0.000 0.875 174 D N 0.113 120.522 120.400 0.014 0.000 2.549 174 D HA 0.061 4.700 4.640 -0.001 0.000 0.270 174 D C 1.043 177.421 176.300 0.129 0.000 1.181 174 D CA -0.882 53.167 54.000 0.081 0.000 1.070 174 D CB -0.016 40.857 40.800 0.120 0.000 1.154 174 D HN 0.086 nan 8.370 nan 0.000 0.602 175 V N -0.420 119.574 119.914 0.133 0.000 2.427 175 V HA -0.193 3.927 4.120 -0.001 0.000 0.248 175 V C 1.934 178.119 176.094 0.151 0.000 1.051 175 V CA 1.482 63.857 62.300 0.125 0.000 1.048 175 V CB -0.993 30.891 31.823 0.103 0.000 0.666 175 V HN 0.577 nan 8.190 nan 0.000 0.456 176 Y N 1.191 121.548 120.300 0.095 0.000 2.128 176 Y HA -0.285 4.265 4.550 -0.001 0.000 0.284 176 Y C 2.384 178.284 175.900 0.001 0.000 1.154 176 Y CA 2.435 60.558 58.100 0.038 0.000 1.149 176 Y CB -0.726 37.739 38.460 0.008 0.000 0.976 176 Y HN 0.564 nan 8.280 nan 0.000 0.505 177 H N -0.372 118.611 119.070 -0.146 0.000 2.352 177 H HA -0.164 4.391 4.556 -0.000 0.000 0.299 177 H C 2.361 177.575 175.328 -0.190 0.000 1.097 177 H CA 2.195 58.107 56.048 -0.227 0.000 1.311 177 H CB -0.528 29.186 29.762 -0.079 0.000 1.377 177 H HN 0.330 nan 8.280 nan 0.000 0.504 178 L N -0.370 120.873 121.223 0.032 0.000 1.994 178 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 178 L C 2.771 179.639 176.870 -0.003 0.000 1.071 178 L CA 1.080 55.945 54.840 0.042 0.000 0.745 178 L CB -0.717 41.414 42.059 0.121 0.000 0.892 178 L HN 0.361 nan 8.230 nan 0.000 0.431 179 A N 0.543 123.349 122.820 -0.023 0.000 1.873 179 A HA -0.324 3.995 4.320 -0.001 0.000 0.218 179 A C 2.029 179.553 177.584 -0.100 0.000 1.193 179 A CA 2.499 54.523 52.037 -0.022 0.000 0.629 179 A CB -0.982 18.029 19.000 0.018 0.000 0.826 179 A HN 0.534 nan 8.150 nan 0.000 0.447 180 N N -0.516 118.014 118.700 -0.284 0.000 2.061 180 N HA -0.224 4.515 4.740 -0.001 0.000 0.193 180 N C 1.835 177.242 175.510 -0.171 0.000 1.030 180 N CA 2.375 55.240 53.050 -0.308 0.000 0.856 180 N CB -0.368 37.713 38.487 -0.676 0.000 1.023 180 N HN 0.580 nan 8.380 nan 0.000 0.424 181 M N -0.205 119.300 119.600 -0.159 0.000 2.065 181 M HA -0.137 4.343 4.480 -0.001 0.000 0.259 181 M C 1.961 178.221 176.300 -0.067 0.000 1.069 181 M CA 2.083 57.326 55.300 -0.096 0.000 1.110 181 M CB -0.288 32.263 32.600 -0.081 0.000 1.328 181 M HN 0.243 nan 8.290 nan 0.000 0.405 182 A N 0.240 123.034 122.820 -0.044 0.000 1.978 182 A HA -0.048 4.272 4.320 -0.001 0.000 0.220 182 A C 2.299 179.878 177.584 -0.008 0.000 1.170 182 A CA 1.901 53.931 52.037 -0.012 0.000 0.636 182 A CB -1.137 17.903 19.000 0.066 0.000 0.810 182 A HN 0.725 nan 8.150 nan 0.000 0.448 183 A N -0.469 122.341 122.820 -0.018 0.000 1.930 183 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 183 A C 1.971 179.544 177.584 -0.018 0.000 1.175 183 A CA 1.479 53.509 52.037 -0.011 0.000 0.627 183 A CB -0.415 18.578 19.000 -0.012 0.000 0.815 183 A HN 0.599 nan 8.150 nan 0.000 0.443 184 E N -0.588 119.593 120.200 -0.032 0.000 2.072 184 E HA -0.141 4.209 4.350 -0.001 0.000 0.191 184 E C 2.299 178.883 176.600 -0.026 0.000 0.985 184 E CA 1.236 57.618 56.400 -0.029 0.000 0.801 184 E CB -0.196 29.481 29.700 -0.038 0.000 0.750 184 E HN 0.572 nan 8.360 nan 0.000 0.452 185 S N 0.474 116.155 115.700 -0.033 0.000 2.368 185 S HA -0.159 4.311 4.470 -0.001 0.000 0.225 185 S C 2.009 176.590 174.600 -0.033 0.000 1.030 185 S CA 0.884 59.062 58.200 -0.036 0.000 0.999 185 S CB -0.053 63.118 63.200 -0.048 0.000 0.844 185 S HN 0.100 nan 8.310 nan 0.000 0.459 186 R N 1.009 121.494 120.500 -0.024 0.000 2.080 186 R HA -0.069 4.271 4.340 -0.001 0.000 0.236 186 R C 2.152 178.439 176.300 -0.022 0.000 1.137 186 R CA 2.078 58.166 56.100 -0.021 0.000 0.943 186 R CB -1.247 29.050 30.300 -0.006 0.000 0.846 186 R HN 0.426 nan 8.270 nan 0.000 0.431 187 V N 0.234 120.138 119.914 -0.016 0.000 2.358 187 V HA -0.142 3.978 4.120 -0.001 0.000 0.246 187 V C 2.509 178.594 176.094 -0.015 0.000 1.047 187 V CA 1.908 64.201 62.300 -0.013 0.000 1.035 187 V CB -1.114 30.704 31.823 -0.007 0.000 0.658 187 V HN 0.582 nan 8.190 nan 0.000 0.452 188 G N 0.225 109.015 108.800 -0.017 0.000 2.422 188 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.218 188 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.218 188 G C 1.637 176.525 174.900 -0.020 0.000 1.146 188 G CA 0.954 46.045 45.100 -0.015 0.000 0.769 188 G HN 0.580 nan 8.290 nan 0.000 0.547 189 G N 1.042 109.824 108.800 -0.030 0.000 2.440 189 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.218 189 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.218 189 G C 1.809 176.688 174.900 -0.035 0.000 1.154 189 G CA 0.885 45.961 45.100 -0.041 0.000 0.767 189 G HN 0.439 nan 8.290 nan 0.000 0.552 190 L N -0.076 121.130 121.223 -0.029 0.000 2.012 190 L HA -0.054 4.286 4.340 -0.001 0.000 0.210 190 L C 2.921 179.781 176.870 -0.016 0.000 1.073 190 L CA 0.762 55.588 54.840 -0.023 0.000 0.748 190 L CB -0.487 41.562 42.059 -0.017 0.000 0.891 190 L HN 0.181 nan 8.230 nan 0.000 0.431 191 L N -0.541 120.674 121.223 -0.012 0.000 2.093 191 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 191 L C 2.305 179.172 176.870 -0.005 0.000 1.085 191 L CA 1.293 56.129 54.840 -0.007 0.000 0.755 191 L CB -0.893 41.163 42.059 -0.004 0.000 0.904 191 L HN 0.338 nan 8.230 nan 0.000 0.435 192 G N -1.457 107.338 108.800 -0.007 0.000 3.088 192 G HA2 0.288 4.248 3.960 -0.001 0.000 0.217 192 G HA3 0.288 4.248 3.960 -0.001 0.000 0.217 192 G C 1.130 176.028 174.900 -0.004 0.000 1.159 192 G CA 0.369 45.469 45.100 -0.001 0.000 0.760 192 G HN 0.473 nan 8.290 nan 0.000 0.550 193 G N 0.450 109.241 108.800 -0.014 0.000 2.221 193 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.265 193 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.265 193 G C 0.235 175.113 174.900 -0.037 0.000 1.041 193 G CA 0.319 45.407 45.100 -0.021 0.000 0.807 193 G HN 0.485 nan 8.290 nan 0.000 0.502 194 K N -0.864 119.507 120.400 -0.049 0.000 2.295 194 K HA 0.530 4.849 4.320 -0.001 0.000 0.239 194 K C -1.608 174.925 176.600 -0.111 0.000 0.991 194 K CA -1.983 54.257 56.287 -0.078 0.000 0.845 194 K CB 1.660 34.126 32.500 -0.057 0.000 1.197 194 K HN -0.106 nan 8.250 nan 0.000 0.441 195 P HA -0.132 nan 4.420 nan 0.000 0.216 195 P C 0.534 177.732 177.300 -0.169 0.000 1.150 195 P CA 1.509 64.485 63.100 -0.207 0.000 0.837 195 P CB 0.083 31.599 31.700 -0.307 0.000 0.786 196 G N -0.205 108.518 108.800 -0.128 0.000 2.246 196 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.273 196 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.273 196 G C 0.188 175.032 174.900 -0.092 0.000 1.055 196 G CA 0.167 45.212 45.100 -0.091 0.000 0.851 196 G HN 0.554 nan 8.290 nan 0.000 0.500 197 V N -3.039 116.805 119.914 -0.117 0.000 3.134 197 V HA 0.948 5.068 4.120 -0.001 0.000 0.313 197 V C 0.420 176.486 176.094 -0.046 0.000 1.069 197 V CA -0.129 62.126 62.300 -0.075 0.000 1.048 197 V CB 1.940 33.699 31.823 -0.107 0.000 1.119 197 V HN 0.481 nan 8.190 nan 0.000 0.461 198 T N 1.996 116.541 114.554 -0.015 0.000 2.847 198 T HA 0.556 4.906 4.350 -0.001 0.000 0.291 198 T C -0.594 173.976 174.700 -0.218 0.000 0.998 198 T CA -0.288 61.710 62.100 -0.170 0.000 0.967 198 T CB 1.274 70.013 68.868 -0.214 0.000 0.954 198 T HN 0.686 nan 8.240 nan 0.000 0.441 199 V N 4.596 124.351 119.914 -0.265 0.000 2.370 199 V HA 0.474 4.594 4.120 -0.001 0.000 0.279 199 V C -0.738 175.153 176.094 -0.337 0.000 1.029 199 V CA -0.746 61.466 62.300 -0.147 0.000 0.870 199 V CB 0.421 32.236 31.823 -0.014 0.000 0.984 199 V HN 0.767 nan 8.190 nan 0.000 0.451 200 F N 3.606 123.548 119.950 -0.013 0.000 2.391 200 F HA 0.384 4.911 4.527 -0.001 0.000 0.359 200 F C 0.491 176.289 175.800 -0.002 0.000 1.122 200 F CA -0.643 57.334 58.000 -0.039 0.000 1.120 200 F CB 0.567 39.492 39.000 -0.125 0.000 1.142 200 F HN 0.629 nan 8.300 nan 0.000 0.483 201 H N 4.133 123.242 119.070 0.066 0.000 2.767 201 H HA 0.375 4.931 4.556 -0.001 0.000 0.316 201 H C -0.631 174.713 175.328 0.026 0.000 1.059 201 H CA -0.713 55.401 56.048 0.110 0.000 1.461 201 H CB 0.599 30.312 29.762 -0.081 0.000 1.475 201 H HN 0.376 nan 8.280 nan 0.000 0.531 202 M N 4.793 124.092 119.600 -0.501 0.000 2.264 202 M HA 0.304 4.783 4.480 -0.001 0.000 0.352 202 M C 0.862 176.758 176.300 -0.674 0.000 1.173 202 M CA -0.303 54.739 55.300 -0.431 0.000 1.075 202 M CB 1.276 33.742 32.600 -0.223 0.000 1.621 202 M HN 0.899 nan 8.290 nan 0.000 0.457 203 G N 1.147 109.747 108.800 -0.333 0.000 2.702 203 G HA2 0.387 4.347 3.960 -0.001 0.000 0.254 203 G HA3 0.387 4.347 3.960 -0.001 0.000 0.254 203 G C -0.344 174.488 174.900 -0.114 0.000 1.380 203 G CA -0.379 44.609 45.100 -0.187 0.000 1.042 203 G HN 0.643 nan 8.290 nan 0.000 0.557 204 D N -0.017 120.359 120.400 -0.040 0.000 2.615 204 D HA 0.191 4.831 4.640 -0.001 0.000 0.236 204 D C 0.782 177.085 176.300 0.003 0.000 1.233 204 D CA 0.044 54.040 54.000 -0.007 0.000 0.829 204 D CB 0.615 41.435 40.800 0.033 0.000 1.024 204 D HN 0.205 nan 8.370 nan 0.000 0.490 205 S N 0.025 115.716 115.700 -0.015 0.000 2.601 205 S HA 0.125 4.595 4.470 -0.001 0.000 0.271 205 S C 1.363 175.957 174.600 -0.010 0.000 1.305 205 S CA -0.355 57.841 58.200 -0.007 0.000 1.022 205 S CB 1.665 64.856 63.200 -0.015 0.000 0.940 205 S HN -0.061 nan 8.310 nan 0.000 0.525 206 K N 2.051 122.450 120.400 -0.001 0.000 2.209 206 K HA -0.069 4.250 4.320 -0.001 0.000 0.204 206 K C 1.724 178.322 176.600 -0.003 0.000 1.048 206 K CA 1.423 57.711 56.287 0.001 0.000 0.940 206 K CB -0.087 32.417 32.500 0.005 0.000 0.729 206 K HN 0.595 nan 8.250 nan 0.000 0.451 207 K N 0.614 121.008 120.400 -0.009 0.000 2.360 207 K HA -0.030 4.290 4.320 -0.001 0.000 0.201 207 K C 1.206 177.794 176.600 -0.020 0.000 1.046 207 K CA 0.694 56.975 56.287 -0.009 0.000 0.945 207 K CB -0.257 32.236 32.500 -0.012 0.000 0.750 207 K HN 0.195 nan 8.250 nan 0.000 0.464 208 A N 1.352 124.150 122.820 -0.036 0.000 5.213 208 A HA -0.335 3.985 4.320 -0.001 0.000 0.347 208 A C 1.252 178.768 177.584 -0.114 0.000 1.682 208 A CA 1.971 53.971 52.037 -0.063 0.000 0.701 208 A CB -1.492 17.487 19.000 -0.036 0.000 1.474 208 A HN 0.264 nan 8.150 nan 0.000 0.405 209 L N -0.092 121.058 121.223 -0.122 0.000 2.592 209 L HA -0.019 4.321 4.340 -0.001 0.000 0.227 209 L C 2.348 179.091 176.870 -0.212 0.000 1.127 209 L CA 0.652 55.328 54.840 -0.273 0.000 0.884 209 L CB -0.288 41.523 42.059 -0.413 0.000 1.065 209 L HN 0.660 nan 8.230 nan 0.000 0.457 210 Q N 1.302 121.098 119.800 -0.007 0.000 2.047 210 Q HA -0.206 4.134 4.340 -0.001 0.000 0.211 210 Q C -0.436 175.569 176.000 0.008 0.000 1.005 210 Q CA 2.323 58.181 55.803 0.092 0.000 0.866 210 Q CB -1.481 27.290 28.738 0.055 0.000 0.938 210 Q HN 0.293 nan 8.270 nan 0.000 0.414 211 P HA -0.146 nan 4.420 nan 0.000 0.217 211 P C 1.297 178.493 177.300 -0.174 0.000 1.148 211 P CA 1.337 64.384 63.100 -0.089 0.000 0.828 211 P CB -0.284 31.363 31.700 -0.089 0.000 0.783 212 I N -3.073 117.266 120.570 -0.384 0.000 2.439 212 I HA -0.222 3.948 4.170 -0.001 0.000 0.251 212 I C 2.248 178.199 176.117 -0.277 0.000 1.139 212 I CA 1.328 62.304 61.300 -0.540 0.000 1.438 212 I CB -0.670 36.767 38.000 -0.938 0.000 1.085 212 I HN -0.098 nan 8.210 nan 0.000 0.427 213 Y N 1.313 121.561 120.300 -0.087 0.000 2.184 213 Y HA -0.189 4.361 4.550 -0.001 0.000 0.290 213 Y C 2.387 178.282 175.900 -0.009 0.000 1.129 213 Y CA 0.865 58.954 58.100 -0.018 0.000 1.144 213 Y CB -0.753 37.699 38.460 -0.014 0.000 0.995 213 Y HN 0.155 nan 8.280 nan 0.000 0.513 214 D N 0.238 120.733 120.400 0.158 0.000 2.106 214 D HA -0.240 4.400 4.640 -0.001 0.000 0.191 214 D C 2.384 178.732 176.300 0.080 0.000 0.997 214 D CA 1.356 55.413 54.000 0.094 0.000 0.834 214 D CB -0.860 39.979 40.800 0.065 0.000 0.956 214 D HN 0.286 nan 8.370 nan 0.000 0.448 215 L N 0.574 121.831 121.223 0.055 0.000 1.997 215 L HA -0.243 4.097 4.340 -0.001 0.000 0.216 215 L C 2.476 179.389 176.870 0.072 0.000 1.074 215 L CA 1.293 56.168 54.840 0.057 0.000 0.763 215 L CB -0.280 41.797 42.059 0.029 0.000 0.890 215 L HN 0.069 nan 8.230 nan 0.000 0.434 216 L N -0.561 120.711 121.223 0.082 0.000 2.081 216 L HA -0.280 4.060 4.340 -0.001 0.000 0.212 216 L C 2.355 179.274 176.870 0.083 0.000 1.080 216 L CA 1.743 56.641 54.840 0.097 0.000 0.754 216 L CB -0.522 41.623 42.059 0.143 0.000 0.893 216 L HN 0.390 nan 8.230 nan 0.000 0.433 217 E N -0.629 119.620 120.200 0.082 0.000 2.427 217 E HA -0.060 4.289 4.350 -0.001 0.000 0.196 217 E C 1.057 177.692 176.600 0.058 0.000 1.028 217 E CA 0.253 56.690 56.400 0.062 0.000 0.864 217 E CB 0.129 29.863 29.700 0.055 0.000 0.813 217 E HN 0.447 nan 8.360 nan 0.000 0.514 218 N N 0.206 118.946 118.700 0.067 0.000 2.238 218 N HA 0.102 4.842 4.740 -0.001 0.000 0.222 218 N C -0.467 175.088 175.510 0.074 0.000 1.133 218 N CA 0.200 53.293 53.050 0.072 0.000 0.854 218 N CB 0.725 39.264 38.487 0.086 0.000 1.041 218 N HN 0.160 nan 8.380 nan 0.000 0.510 219 C N -2.156 117.182 119.300 0.064 0.000 3.275 219 C HA 0.337 4.797 4.460 -0.001 0.000 0.340 219 C C -0.836 174.185 174.990 0.050 0.000 1.366 219 C CA -0.858 58.195 59.018 0.058 0.000 1.227 219 C CB 1.471 29.246 27.740 0.058 0.000 1.512 219 C HN 0.100 nan 8.230 nan 0.000 0.461 220 D N 1.229 121.654 120.400 0.043 0.000 2.525 220 D HA 0.220 4.860 4.640 -0.001 0.000 0.229 220 D C 0.212 176.533 176.300 0.036 0.000 1.202 220 D CA 0.345 54.366 54.000 0.036 0.000 0.828 220 D CB 1.153 41.970 40.800 0.028 0.000 1.008 220 D HN 0.481 nan 8.370 nan 0.000 0.493 221 V N 2.921 122.863 119.914 0.046 0.000 2.455 221 V HA 0.130 4.250 4.120 -0.001 0.000 0.273 221 V C -1.900 174.229 176.094 0.057 0.000 1.045 221 V CA -1.350 60.981 62.300 0.050 0.000 0.976 221 V CB 0.720 32.582 31.823 0.065 0.000 0.993 221 V HN -0.009 nan 8.190 nan 0.000 0.475 222 P HA 0.104 nan 4.420 nan 0.000 0.265 222 P C 1.004 178.345 177.300 0.070 0.000 1.193 222 P CA 0.073 63.199 63.100 0.043 0.000 0.765 222 P CB 0.638 32.353 31.700 0.026 0.000 0.823 223 I N 2.626 123.227 120.570 0.053 0.000 2.530 223 I HA -0.281 3.888 4.170 -0.001 0.000 0.257 223 I C 1.638 177.819 176.117 0.106 0.000 1.179 223 I CA 1.672 63.010 61.300 0.063 0.000 1.440 223 I CB -0.004 37.959 38.000 -0.061 0.000 1.087 223 I HN 0.327 nan 8.210 nan 0.000 0.440 224 S N -0.092 115.660 115.700 0.087 0.000 2.507 224 S HA -0.050 4.420 4.470 -0.001 0.000 0.235 224 S C 1.638 176.371 174.600 0.222 0.000 0.988 224 S CA 0.392 58.681 58.200 0.149 0.000 0.944 224 S CB -0.256 62.992 63.200 0.080 0.000 0.762 224 S HN 0.399 nan 8.310 nan 0.000 0.526 225 K N 0.874 121.377 120.400 0.172 0.000 2.374 225 K HA 0.350 4.670 4.320 -0.001 0.000 0.196 225 K C -0.049 176.725 176.600 0.291 0.000 1.023 225 K CA 0.078 56.447 56.287 0.136 0.000 1.103 225 K CB 0.007 32.540 32.500 0.056 0.000 0.848 225 K HN 0.470 nan 8.250 nan 0.000 0.528 226 L N 1.650 123.112 121.223 0.398 0.000 2.272 226 L HA 0.415 4.755 4.340 -0.001 0.000 0.289 226 L C -0.434 176.709 176.870 0.455 0.000 1.032 226 L CA -0.856 54.274 54.840 0.483 0.000 0.810 226 L CB 0.936 43.258 42.059 0.439 0.000 1.205 226 L HN -0.185 nan 8.230 nan 0.000 0.422 227 L N 6.876 128.355 121.223 0.427 0.000 2.343 227 L HA 0.657 4.997 4.340 -0.001 0.000 0.278 227 L C -2.519 174.453 176.870 0.170 0.000 0.996 227 L CA -1.399 53.555 54.840 0.191 0.000 0.831 227 L CB 1.798 43.913 42.059 0.094 0.000 1.232 227 L HN 0.262 nan 8.230 nan 0.000 0.413 228 P HA 0.303 nan 4.420 nan 0.000 0.296 228 P C -0.972 176.259 177.300 -0.116 0.000 1.306 228 P CA -0.301 62.731 63.100 -0.115 0.000 0.818 228 P CB 1.697 33.158 31.700 -0.398 0.000 0.969 229 T N 1.240 115.739 114.554 -0.093 0.000 2.927 229 T HA 0.308 4.658 4.350 -0.001 0.000 0.286 229 T C 0.287 174.837 174.700 -0.250 0.000 1.040 229 T CA -0.222 61.740 62.100 -0.230 0.000 1.010 229 T CB 0.161 68.850 68.868 -0.300 0.000 1.177 229 T HN 0.531 nan 8.240 nan 0.000 0.546 230 H N -0.188 118.809 119.070 -0.123 0.000 2.820 230 H HA -0.144 4.412 4.556 -0.000 0.000 0.295 230 H C 1.508 176.784 175.328 -0.086 0.000 1.187 230 H CA 0.799 56.772 56.048 -0.126 0.000 1.144 230 H CB -2.382 27.272 29.762 -0.180 0.000 1.354 230 H HN 0.511 nan 8.280 nan 0.000 0.395 231 V N -0.451 119.469 119.914 0.009 0.000 2.568 231 V HA -0.277 3.843 4.120 -0.001 0.000 0.253 231 V C 2.016 178.238 176.094 0.213 0.000 1.072 231 V CA 2.115 64.454 62.300 0.066 0.000 1.084 231 V CB -0.212 31.613 31.823 0.005 0.000 0.676 231 V HN 0.533 nan 8.190 nan 0.000 0.469 232 N N 2.250 121.054 118.700 0.173 0.000 2.449 232 N HA -0.122 4.618 4.740 -0.001 0.000 0.191 232 N C 1.732 177.252 175.510 0.018 0.000 1.161 232 N CA 0.965 54.055 53.050 0.066 0.000 0.863 232 N CB -0.672 37.771 38.487 -0.074 0.000 0.980 232 N HN 0.819 nan 8.380 nan 0.000 0.458 233 R N 0.622 121.150 120.500 0.046 0.000 2.189 233 R HA -0.046 4.294 4.340 -0.001 0.000 0.218 233 R C -0.341 175.974 176.300 0.024 0.000 1.074 233 R CA 0.911 57.023 56.100 0.021 0.000 0.991 233 R CB -0.426 29.872 30.300 -0.004 0.000 0.883 233 R HN 0.393 nan 8.270 nan 0.000 0.457 234 N N -2.431 116.296 118.700 0.044 0.000 2.745 234 N HA 0.075 4.814 4.740 -0.001 0.000 0.256 234 N C 0.109 175.672 175.510 0.089 0.000 1.268 234 N CA -0.630 52.449 53.050 0.048 0.000 0.887 234 N CB 1.480 39.989 38.487 0.036 0.000 1.575 234 N HN -0.227 nan 8.380 nan 0.000 0.496 235 V N 0.418 120.376 119.914 0.073 0.000 2.220 235 V HA -0.079 4.041 4.120 -0.001 0.000 0.246 235 V C -0.919 175.254 176.094 0.132 0.000 1.049 235 V CA 2.179 64.543 62.300 0.106 0.000 1.003 235 V CB -1.543 30.320 31.823 0.066 0.000 0.634 235 V HN 0.730 nan 8.190 nan 0.000 0.444 236 P HA -0.151 nan 4.420 nan 0.000 0.218 236 P C 1.872 179.206 177.300 0.056 0.000 1.148 236 P CA 1.290 64.427 63.100 0.062 0.000 0.822 236 P CB -0.085 31.638 31.700 0.040 0.000 0.784 237 L N -1.287 119.971 121.223 0.058 0.000 2.005 237 L HA -0.062 4.278 4.340 -0.001 0.000 0.207 237 L C 2.345 179.244 176.870 0.048 0.000 1.072 237 L CA 1.630 56.487 54.840 0.029 0.000 0.744 237 L CB -1.635 40.436 42.059 0.020 0.000 0.895 237 L HN -0.182 nan 8.230 nan 0.000 0.433 238 F N 0.822 120.758 119.950 -0.024 0.000 2.087 238 F HA -0.284 4.243 4.527 -0.000 0.000 0.299 238 F C 2.430 178.230 175.800 -0.000 0.000 1.100 238 F CA 2.205 60.195 58.000 -0.018 0.000 1.226 238 F CB -0.293 38.700 39.000 -0.013 0.000 0.983 238 F HN 0.222 nan 8.300 nan 0.000 0.479 239 E N 0.305 120.517 120.200 0.021 0.000 2.118 239 E HA -0.258 4.092 4.350 -0.001 0.000 0.195 239 E C 2.091 178.641 176.600 -0.084 0.000 0.992 239 E CA 1.820 58.196 56.400 -0.040 0.000 0.804 239 E CB -0.566 29.168 29.700 0.057 0.000 0.741 239 E HN 0.715 nan 8.360 nan 0.000 0.458 240 Q N -0.001 119.770 119.800 -0.048 0.000 2.311 240 Q HA 0.140 4.480 4.340 -0.001 0.000 0.203 240 Q C 2.143 178.131 176.000 -0.020 0.000 0.954 240 Q CA 0.890 56.693 55.803 -0.001 0.000 0.885 240 Q CB -0.158 28.615 28.738 0.059 0.000 0.963 240 Q HN 0.142 nan 8.270 nan 0.000 0.471 241 A N 2.265 124.998 122.820 -0.145 0.000 1.883 241 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 241 A C 2.193 179.706 177.584 -0.119 0.000 1.186 241 A CA 1.206 53.142 52.037 -0.168 0.000 0.624 241 A CB -0.834 17.986 19.000 -0.300 0.000 0.822 241 A HN 0.324 nan 8.150 nan 0.000 0.444 242 L N -0.048 121.003 121.223 -0.286 0.000 2.021 242 L HA -0.299 4.041 4.340 -0.001 0.000 0.215 242 L C 2.769 179.601 176.870 -0.064 0.000 1.074 242 L CA 2.138 56.850 54.840 -0.213 0.000 0.760 242 L CB -0.883 41.029 42.059 -0.245 0.000 0.889 242 L HN 0.621 nan 8.230 nan 0.000 0.433 243 E N -0.473 119.719 120.200 -0.012 0.000 2.106 243 E HA -0.253 4.097 4.350 -0.001 0.000 0.192 243 E C 2.159 178.805 176.600 0.076 0.000 0.984 243 E CA 1.181 57.599 56.400 0.031 0.000 0.806 243 E CB -0.542 29.191 29.700 0.055 0.000 0.750 243 E HN 0.420 nan 8.360 nan 0.000 0.458 244 F N 2.754 122.698 119.950 -0.010 0.000 2.065 244 F HA -0.227 4.301 4.527 0.000 0.000 0.298 244 F C 2.489 178.265 175.800 -0.040 0.000 1.112 244 F CA 1.870 59.866 58.000 -0.007 0.000 1.212 244 F CB -0.368 38.569 39.000 -0.106 0.000 0.975 244 F HN 0.025 nan 8.300 nan 0.000 0.476 245 A N 0.244 123.063 122.820 -0.002 0.000 1.972 245 A HA -0.204 4.115 4.320 -0.001 0.000 0.219 245 A C 2.353 179.860 177.584 -0.128 0.000 1.169 245 A CA 1.604 53.582 52.037 -0.098 0.000 0.635 245 A CB -0.880 18.099 19.000 -0.035 0.000 0.810 245 A HN 0.487 nan 8.150 nan 0.000 0.446 246 R N -0.290 120.159 120.500 -0.085 0.000 2.127 246 R HA -0.118 4.222 4.340 -0.001 0.000 0.238 246 R C 1.562 177.802 176.300 -0.100 0.000 1.134 246 R CA 1.706 57.762 56.100 -0.073 0.000 0.975 246 R CB -0.155 30.119 30.300 -0.043 0.000 0.865 246 R HN 0.448 nan 8.270 nan 0.000 0.447 247 K N -1.555 118.755 120.400 -0.150 0.000 2.525 247 K HA 0.048 4.368 4.320 -0.001 0.000 0.192 247 K C 0.777 177.254 176.600 -0.205 0.000 1.029 247 K CA 0.663 56.853 56.287 -0.161 0.000 1.029 247 K CB 0.663 33.071 32.500 -0.153 0.000 0.814 247 K HN 0.468 nan 8.250 nan 0.000 0.503 248 G N -0.206 108.454 108.800 -0.233 0.000 2.229 248 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.189 248 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.189 248 G C 0.389 175.135 174.900 -0.257 0.000 1.000 248 G CA -0.472 44.514 45.100 -0.190 0.000 0.663 248 G HN 0.463 nan 8.290 nan 0.000 0.493 249 G N -0.355 108.119 108.800 -0.544 0.000 2.634 249 G HA2 0.539 4.498 3.960 -0.001 0.000 0.255 249 G HA3 0.539 4.498 3.960 -0.001 0.000 0.255 249 G C -0.143 174.672 174.900 -0.142 0.000 1.205 249 G CA 0.766 45.503 45.100 -0.604 0.000 0.884 249 G HN 0.572 nan 8.290 nan 0.000 0.549 250 T N 0.668 115.257 114.554 0.058 0.000 2.829 250 T HA 0.510 4.860 4.350 -0.001 0.000 0.280 250 T C 0.154 174.838 174.700 -0.027 0.000 0.999 250 T CA -0.186 61.883 62.100 -0.052 0.000 0.983 250 T CB 1.185 69.898 68.868 -0.258 0.000 0.968 250 T HN 0.620 nan 8.240 nan 0.000 0.446 251 I N -0.227 120.304 120.570 -0.066 0.000 2.693 251 I HA 0.824 4.994 4.170 -0.001 0.000 0.303 251 I C -1.214 174.819 176.117 -0.140 0.000 1.025 251 I CA -0.969 60.278 61.300 -0.090 0.000 1.086 251 I CB 2.216 40.182 38.000 -0.057 0.000 1.268 251 I HN 0.386 nan 8.210 nan 0.000 0.440 252 D N 5.277 125.589 120.400 -0.147 0.000 2.308 252 D HA 0.537 5.177 4.640 -0.001 0.000 0.242 252 D C -0.863 175.365 176.300 -0.120 0.000 1.059 252 D CA -0.386 53.527 54.000 -0.145 0.000 0.830 252 D CB 1.575 42.280 40.800 -0.159 0.000 1.161 252 D HN 0.534 nan 8.370 nan 0.000 0.494 253 I N 2.842 123.355 120.570 -0.094 0.000 2.359 253 I HA 0.232 4.402 4.170 -0.001 0.000 0.294 253 I C 0.178 176.226 176.117 -0.115 0.000 0.987 253 I CA -0.592 60.666 61.300 -0.070 0.000 1.225 253 I CB 1.856 39.836 38.000 -0.034 0.000 1.366 253 I HN 0.273 nan 8.210 nan 0.000 0.466 254 T N 3.753 118.240 114.554 -0.111 0.000 2.743 254 T HA 0.072 4.422 4.350 -0.001 0.000 0.293 254 T C 1.151 175.810 174.700 -0.068 0.000 0.945 254 T CA -0.479 61.553 62.100 -0.114 0.000 1.030 254 T CB 1.116 69.943 68.868 -0.068 0.000 0.912 254 T HN 0.809 nan 8.240 nan 0.000 0.483 255 S N 1.799 117.456 115.700 -0.070 0.000 2.515 255 S HA -0.071 4.398 4.470 -0.001 0.000 0.231 255 S C 1.834 176.414 174.600 -0.034 0.000 0.987 255 S CA 0.563 58.727 58.200 -0.060 0.000 0.936 255 S CB -0.231 62.930 63.200 -0.065 0.000 0.766 255 S HN 0.642 nan 8.310 nan 0.000 0.528 256 S N 0.654 116.341 115.700 -0.021 0.000 2.577 256 S HA 0.417 4.887 4.470 -0.001 0.000 0.219 256 S C 0.278 174.897 174.600 0.032 0.000 0.962 256 S CA -0.685 57.516 58.200 0.001 0.000 0.921 256 S CB -0.580 62.614 63.200 -0.010 0.000 0.789 256 S HN 0.547 nan 8.310 nan 0.000 0.497 257 I N 2.187 122.770 120.570 0.021 0.000 2.355 257 I HA 0.356 4.525 4.170 -0.001 0.000 0.288 257 I C -0.148 175.976 176.117 0.013 0.000 0.999 257 I CA -0.555 60.767 61.300 0.037 0.000 1.163 257 I CB 1.658 39.677 38.000 0.031 0.000 1.316 257 I HN -0.005 nan 8.210 nan 0.000 0.454 258 D N 4.009 124.430 120.400 0.034 0.000 2.277 258 D HA 0.071 4.711 4.640 -0.001 0.000 0.209 258 D C 0.258 176.557 176.300 -0.002 0.000 0.970 258 D CA 1.078 55.084 54.000 0.010 0.000 0.874 258 D CB 0.562 41.375 40.800 0.021 0.000 0.982 258 D HN 0.553 nan 8.370 nan 0.000 0.504 259 E N -0.204 120.009 120.200 0.022 0.000 2.288 259 E HA 0.236 4.586 4.350 -0.001 0.000 0.268 259 E C -1.788 174.824 176.600 0.019 0.000 0.885 259 E CA -1.690 54.718 56.400 0.014 0.000 0.767 259 E CB 2.829 32.550 29.700 0.035 0.000 1.220 259 E HN -0.170 nan 8.360 nan 0.000 0.427 260 P HA -0.010 nan 4.420 nan 0.000 0.221 260 P C 0.131 177.385 177.300 -0.077 0.000 1.155 260 P CA 0.519 63.603 63.100 -0.026 0.000 0.812 260 P CB 0.394 32.082 31.700 -0.020 0.000 0.801 261 V N 1.189 121.021 119.914 -0.136 0.000 2.350 261 V HA 0.517 4.637 4.120 -0.001 0.000 0.276 261 V C 0.646 176.624 176.094 -0.194 0.000 1.028 261 V CA -1.131 61.020 62.300 -0.248 0.000 0.860 261 V CB 0.567 32.073 31.823 -0.529 0.000 0.990 261 V HN 0.099 nan 8.190 nan 0.000 0.453 262 A N 7.640 130.368 122.820 -0.153 0.000 2.332 262 A HA 0.633 4.952 4.320 -0.001 0.000 0.258 262 A C -1.265 176.218 177.584 -0.168 0.000 1.087 262 A CA -1.210 50.758 52.037 -0.116 0.000 0.802 262 A CB 0.193 19.153 19.000 -0.067 0.000 1.042 262 A HN 0.633 nan 8.150 nan 0.000 0.489 263 P HA -0.231 nan 4.420 nan 0.000 0.212 263 P C 1.672 178.825 177.300 -0.245 0.000 1.178 263 P CA 2.738 65.738 63.100 -0.168 0.000 0.915 263 P CB -0.088 31.529 31.700 -0.138 0.000 0.788 264 A N -0.020 122.621 122.820 -0.298 0.000 1.948 264 A HA -0.269 4.051 4.320 -0.001 0.000 0.220 264 A C 2.361 179.549 177.584 -0.660 0.000 1.177 264 A CA 2.028 53.751 52.037 -0.523 0.000 0.636 264 A CB -1.437 17.239 19.000 -0.540 0.000 0.815 264 A HN 0.289 nan 8.150 nan 0.000 0.449 265 E N -0.478 119.473 120.200 -0.416 0.000 2.106 265 E HA -0.116 4.234 4.350 -0.001 0.000 0.192 265 E C 2.063 178.522 176.600 -0.235 0.000 0.984 265 E CA 1.027 57.274 56.400 -0.255 0.000 0.806 265 E CB -0.393 29.260 29.700 -0.078 0.000 0.750 265 E HN 0.524 nan 8.360 nan 0.000 0.458 266 G N 1.350 109.979 108.800 -0.286 0.000 2.402 266 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.216 266 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.216 266 G C 1.612 176.547 174.900 0.057 0.000 1.162 266 G CA 0.753 45.722 45.100 -0.220 0.000 0.777 266 G HN 0.236 nan 8.290 nan 0.000 0.539 267 I N 1.449 121.957 120.570 -0.102 0.000 2.226 267 I HA -0.166 4.004 4.170 -0.001 0.000 0.245 267 I C 3.296 179.417 176.117 0.008 0.000 1.100 267 I CA 0.897 62.139 61.300 -0.096 0.000 1.374 267 I CB -0.211 37.608 38.000 -0.302 0.000 1.057 267 I HN 0.240 nan 8.210 nan 0.000 0.413 268 A N 1.283 124.061 122.820 -0.070 0.000 1.865 268 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 268 A C 2.378 180.094 177.584 0.220 0.000 1.191 268 A CA 1.778 53.930 52.037 0.192 0.000 0.623 268 A CB -0.689 18.400 19.000 0.147 0.000 0.826 268 A HN 0.356 nan 8.150 nan 0.000 0.444 269 R N -0.350 120.260 120.500 0.183 0.000 2.152 269 R HA -0.041 4.299 4.340 -0.001 0.000 0.232 269 R C 2.364 178.786 176.300 0.204 0.000 1.117 269 R CA 0.951 57.182 56.100 0.219 0.000 0.981 269 R CB -0.548 29.939 30.300 0.312 0.000 0.870 269 R HN 0.532 nan 8.270 nan 0.000 0.451 270 A N 1.217 124.162 122.820 0.207 0.000 1.865 270 A HA -0.142 4.178 4.320 -0.001 0.000 0.217 270 A C 2.421 180.067 177.584 0.104 0.000 1.191 270 A CA 1.620 53.733 52.037 0.127 0.000 0.623 270 A CB -0.714 18.353 19.000 0.112 0.000 0.826 270 A HN 0.105 nan 8.150 nan 0.000 0.444 271 V N 0.105 120.106 119.914 0.145 0.000 2.287 271 V HA -0.380 3.739 4.120 -0.001 0.000 0.248 271 V C 2.694 178.837 176.094 0.081 0.000 1.053 271 V CA 2.474 64.846 62.300 0.119 0.000 1.027 271 V CB -1.119 30.816 31.823 0.187 0.000 0.646 271 V HN 0.682 nan 8.190 nan 0.000 0.447 272 Q N 0.189 120.053 119.800 0.107 0.000 2.061 272 Q HA -0.176 4.164 4.340 -0.001 0.000 0.204 272 Q C 2.215 178.252 176.000 0.061 0.000 0.984 272 Q CA 1.867 57.719 55.803 0.083 0.000 0.846 272 Q CB -0.500 28.300 28.738 0.105 0.000 0.902 272 Q HN 0.660 nan 8.270 nan 0.000 0.421 273 A N 0.210 123.069 122.820 0.066 0.000 2.248 273 A HA 0.197 4.517 4.320 -0.001 0.000 0.210 273 A C 1.445 179.042 177.584 0.022 0.000 1.174 273 A CA 0.849 52.909 52.037 0.039 0.000 0.750 273 A CB -0.675 18.341 19.000 0.027 0.000 0.780 273 A HN 0.527 nan 8.150 nan 0.000 0.478 274 G N -1.271 107.545 108.800 0.026 0.000 2.137 274 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.237 274 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.237 274 G C -0.049 174.857 174.900 0.011 0.000 1.002 274 G CA 0.205 45.314 45.100 0.015 0.000 0.702 274 G HN 0.459 nan 8.290 nan 0.000 0.515 275 I N 1.958 122.539 120.570 0.019 0.000 2.365 275 I HA 0.375 4.544 4.170 -0.001 0.000 0.291 275 I C -1.698 174.433 176.117 0.023 0.000 1.004 275 I CA -2.458 58.848 61.300 0.011 0.000 1.311 275 I CB 1.296 39.297 38.000 0.001 0.000 1.401 275 I HN -0.114 nan 8.210 nan 0.000 0.491 276 P HA 0.136 nan 4.420 nan 0.000 0.271 276 P C 0.831 178.149 177.300 0.031 0.000 1.226 276 P CA -0.231 62.883 63.100 0.022 0.000 0.765 276 P CB 0.687 32.395 31.700 0.013 0.000 0.835 277 L N 2.165 123.419 121.223 0.051 0.000 2.270 277 L HA -0.277 4.062 4.340 -0.001 0.000 0.217 277 L C 2.257 179.149 176.870 0.036 0.000 1.107 277 L CA 1.786 56.662 54.840 0.060 0.000 0.772 277 L CB -0.839 41.275 42.059 0.091 0.000 0.902 277 L HN 0.420 nan 8.230 nan 0.000 0.439 278 A N -0.139 122.702 122.820 0.034 0.000 2.019 278 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 278 A C 2.138 179.735 177.584 0.020 0.000 1.164 278 A CA 1.093 53.150 52.037 0.033 0.000 0.644 278 A CB -0.318 18.704 19.000 0.036 0.000 0.805 278 A HN 0.351 nan 8.150 nan 0.000 0.449 279 R N -0.594 119.909 120.500 0.005 0.000 2.449 279 R HA 0.253 4.593 4.340 -0.001 0.000 0.262 279 R C -1.041 175.230 176.300 -0.048 0.000 1.006 279 R CA 0.060 56.147 56.100 -0.021 0.000 1.104 279 R CB 0.149 30.435 30.300 -0.024 0.000 1.206 279 R HN 0.273 nan 8.270 nan 0.000 0.538 280 V N 0.755 120.645 119.914 -0.039 0.000 2.623 280 V HA 0.255 4.375 4.120 -0.001 0.000 0.304 280 V C 0.060 176.116 176.094 -0.063 0.000 1.054 280 V CA -0.777 61.493 62.300 -0.051 0.000 0.882 280 V CB 2.064 33.877 31.823 -0.016 0.000 1.002 280 V HN 0.237 nan 8.190 nan 0.000 0.424 281 T N 2.485 116.982 114.554 -0.094 0.000 2.930 281 T HA 0.885 5.235 4.350 -0.001 0.000 0.290 281 T C -1.127 173.517 174.700 -0.094 0.000 1.052 281 T CA -0.830 61.216 62.100 -0.090 0.000 1.017 281 T CB 2.211 71.020 68.868 -0.099 0.000 1.137 281 T HN 0.448 nan 8.240 nan 0.000 0.511 282 L N 1.709 122.876 121.223 -0.092 0.000 2.408 282 L HA 0.809 5.148 4.340 -0.001 0.000 0.268 282 L C -0.687 176.140 176.870 -0.072 0.000 0.986 282 L CA 0.007 54.785 54.840 -0.104 0.000 0.820 282 L CB 2.163 44.135 42.059 -0.146 0.000 1.303 282 L HN 1.192 nan 8.230 nan 0.000 0.411 283 S N 0.999 116.662 115.700 -0.061 0.000 2.556 283 S HA 0.473 4.943 4.470 -0.001 0.000 0.271 283 S C 0.370 174.960 174.600 -0.016 0.000 1.135 283 S CA 0.012 58.213 58.200 0.003 0.000 0.858 283 S CB 1.389 64.615 63.200 0.042 0.000 1.114 283 S HN 0.816 nan 8.310 nan 0.000 0.468 284 S N 0.843 116.585 115.700 0.070 0.000 2.362 284 S HA 0.061 4.531 4.470 -0.001 0.000 0.221 284 S C 0.746 175.345 174.600 -0.002 0.000 1.032 284 S CA 1.432 59.656 58.200 0.040 0.000 0.973 284 S CB -0.882 62.382 63.200 0.107 0.000 0.849 284 S HN 1.329 nan 8.310 nan 0.000 0.465 285 D N 0.773 121.236 120.400 0.106 0.000 3.051 285 D HA -0.086 4.554 4.640 -0.001 0.000 0.218 285 D C 0.231 176.633 176.300 0.171 0.000 1.129 285 D CA 0.989 55.138 54.000 0.249 0.000 0.868 285 D CB -1.780 39.072 40.800 0.087 0.000 1.100 285 D HN 0.736 nan 8.370 nan 0.000 0.429 286 G N 0.243 109.003 108.800 -0.067 0.000 2.414 286 G HA2 0.283 4.243 3.960 -0.001 0.000 0.236 286 G HA3 0.283 4.243 3.960 -0.001 0.000 0.236 286 G C 0.926 175.763 174.900 -0.105 0.000 1.293 286 G CA 0.660 45.411 45.100 -0.581 0.000 0.869 286 G HN 0.393 nan 8.290 nan 0.000 0.556 287 N N -1.008 117.605 118.700 -0.145 0.000 2.965 287 N HA -0.152 4.588 4.740 -0.001 0.000 0.232 287 N C 1.017 176.526 175.510 -0.003 0.000 0.913 287 N CA 1.733 54.801 53.050 0.029 0.000 0.981 287 N CB -1.308 37.281 38.487 0.170 0.000 1.077 287 N HN 1.011 nan 8.380 nan 0.000 0.589 288 G N -0.720 108.060 108.800 -0.034 0.000 2.580 288 G HA2 0.528 4.487 3.960 -0.001 0.000 0.278 288 G HA3 0.528 4.487 3.960 -0.001 0.000 0.278 288 G C 0.175 174.982 174.900 -0.154 0.000 1.212 288 G CA 0.269 45.193 45.100 -0.292 0.000 0.939 288 G HN 0.362 nan 8.290 nan 0.000 0.513 289 S N -1.030 114.569 115.700 -0.169 0.000 2.687 289 S HA 0.463 4.933 4.470 -0.001 0.000 0.283 289 S C -0.280 174.285 174.600 -0.058 0.000 1.170 289 S CA -0.777 57.367 58.200 -0.094 0.000 1.008 289 S CB 1.773 64.915 63.200 -0.096 0.000 1.026 289 S HN 0.553 nan 8.310 nan 0.000 0.541 290 Q N 1.265 121.059 119.800 -0.010 0.000 2.706 290 Q HA 0.334 4.674 4.340 -0.001 0.000 0.250 290 Q C -2.648 173.390 176.000 0.063 0.000 1.120 290 Q CA -1.834 53.995 55.803 0.044 0.000 0.972 290 Q CB 0.892 29.797 28.738 0.280 0.000 1.173 290 Q HN 0.480 nan 8.270 nan 0.000 0.522 291 P HA 0.213 nan 4.420 nan 0.000 0.293 291 P C -0.999 176.126 177.300 -0.291 0.000 1.313 291 P CA -0.259 62.752 63.100 -0.148 0.000 0.787 291 P CB 0.423 32.076 31.700 -0.079 0.000 0.910 292 F N 3.344 123.213 119.950 -0.136 0.000 2.427 292 F HA 0.479 5.006 4.527 -0.000 0.000 0.346 292 F C 0.201 175.908 175.800 -0.156 0.000 1.120 292 F CA -0.354 57.645 58.000 -0.002 0.000 1.033 292 F CB 0.815 39.878 39.000 0.104 0.000 1.126 292 F HN 0.166 nan 8.300 nan 0.000 0.462 293 F N 1.496 121.534 119.950 0.146 0.000 2.480 293 F HA 0.316 4.843 4.527 -0.001 0.000 0.329 293 F C 0.673 176.493 175.800 0.034 0.000 1.091 293 F CA -0.858 57.171 58.000 0.048 0.000 0.972 293 F CB 0.994 39.939 39.000 -0.091 0.000 1.150 293 F HN 0.392 nan 8.300 nan 0.000 0.467 294 D N 0.695 121.203 120.400 0.179 0.000 2.181 294 D HA -0.034 4.606 4.640 -0.001 0.000 0.262 294 D C 0.930 177.272 176.300 0.070 0.000 1.222 294 D CA 0.408 54.467 54.000 0.099 0.000 0.993 294 D CB 0.523 41.362 40.800 0.064 0.000 1.160 294 D HN 0.489 nan 8.370 nan 0.000 0.528 295 D N -0.618 119.807 120.400 0.041 0.000 2.162 295 D HA -0.043 4.596 4.640 -0.001 0.000 0.205 295 D C 1.080 177.383 176.300 0.005 0.000 0.964 295 D CA 0.743 54.756 54.000 0.022 0.000 0.847 295 D CB -0.011 40.801 40.800 0.019 0.000 0.988 295 D HN 0.464 nan 8.370 nan 0.000 0.480 296 E N -0.081 120.124 120.200 0.009 0.000 2.445 296 E HA 0.265 4.615 4.350 -0.001 0.000 0.189 296 E C 0.686 177.273 176.600 -0.021 0.000 1.069 296 E CA 0.044 56.443 56.400 -0.002 0.000 0.871 296 E CB 0.434 30.138 29.700 0.008 0.000 0.991 296 E HN 0.209 nan 8.360 nan 0.000 0.481 297 G N 2.041 110.814 108.800 -0.045 0.000 2.182 297 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.248 297 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.248 297 G C -0.392 174.563 174.900 0.091 0.000 1.042 297 G CA -0.360 44.647 45.100 -0.156 0.000 0.775 297 G HN 0.155 nan 8.290 nan 0.000 0.501 298 N N -0.145 118.644 118.700 0.148 0.000 2.438 298 N HA 0.510 5.250 4.740 -0.001 0.000 0.282 298 N C 0.446 176.026 175.510 0.117 0.000 1.037 298 N CA -0.584 52.562 53.050 0.160 0.000 0.942 298 N CB 1.958 40.486 38.487 0.069 0.000 1.136 298 N HN 0.451 nan 8.380 nan 0.000 0.481 299 L N 1.289 122.487 121.223 -0.042 0.000 2.461 299 L HA 0.159 4.499 4.340 -0.001 0.000 0.272 299 L C 0.715 177.496 176.870 -0.148 0.000 1.197 299 L CA 0.683 55.284 54.840 -0.399 0.000 0.836 299 L CB 0.516 42.245 42.059 -0.549 0.000 1.105 299 L HN 0.615 nan 8.230 nan 0.000 0.477 300 T N 1.638 116.124 114.554 -0.113 0.000 3.321 300 T HA 0.155 4.504 4.350 -0.001 0.000 0.251 300 T C -0.165 174.560 174.700 0.041 0.000 0.999 300 T CA 0.120 62.217 62.100 -0.004 0.000 1.186 300 T CB -0.185 68.714 68.868 0.052 0.000 1.163 300 T HN 0.636 nan 8.240 nan 0.000 0.399 301 H N 0.239 119.283 119.070 -0.043 0.000 2.569 301 H HA 0.770 5.325 4.556 -0.001 0.000 0.357 301 H C -1.799 173.566 175.328 0.061 0.000 1.153 301 H CA -0.899 55.129 56.048 -0.033 0.000 1.193 301 H CB 1.971 31.649 29.762 -0.140 0.000 1.602 301 H HN 0.282 nan 8.280 nan 0.000 0.523 302 I N 3.237 123.605 120.570 -0.337 0.000 2.649 302 I HA 0.486 4.656 4.170 -0.001 0.000 0.289 302 I C -1.016 174.954 176.117 -0.245 0.000 1.222 302 I CA -0.163 61.030 61.300 -0.179 0.000 1.046 302 I CB 1.794 39.714 38.000 -0.135 0.000 1.272 302 I HN 0.710 nan 8.210 nan 0.000 0.425 303 G N 4.811 113.549 108.800 -0.104 0.000 2.798 303 G HA2 0.661 4.621 3.960 -0.001 0.000 0.286 303 G HA3 0.661 4.621 3.960 -0.001 0.000 0.286 303 G C -2.020 172.863 174.900 -0.028 0.000 1.389 303 G CA -0.684 44.371 45.100 -0.075 0.000 0.894 303 G HN 0.540 nan 8.290 nan 0.000 0.488 304 V N 0.371 120.270 119.914 -0.026 0.000 2.443 304 V HA 0.701 4.821 4.120 -0.001 0.000 0.293 304 V C 0.489 176.560 176.094 -0.037 0.000 1.021 304 V CA -0.293 61.988 62.300 -0.032 0.000 0.848 304 V CB 0.700 32.502 31.823 -0.035 0.000 0.998 304 V HN 1.419 nan 8.190 nan 0.000 0.424 305 A N 5.036 127.823 122.820 -0.056 0.000 2.498 305 A HA 0.693 5.012 4.320 -0.001 0.000 0.239 305 A C 0.728 178.177 177.584 -0.224 0.000 1.068 305 A CA 0.700 52.674 52.037 -0.106 0.000 0.766 305 A CB 0.291 19.235 19.000 -0.094 0.000 1.003 305 A HN 1.500 nan 8.150 nan 0.000 0.497 306 G N -0.693 107.962 108.800 -0.242 0.000 3.016 306 G HA2 0.569 4.529 3.960 -0.001 0.000 0.270 306 G HA3 0.569 4.529 3.960 -0.001 0.000 0.270 306 G C -0.357 174.290 174.900 -0.421 0.000 1.352 306 G CA -0.480 44.446 45.100 -0.291 0.000 1.060 306 G HN 0.520 nan 8.290 nan 0.000 0.538 307 F N -0.239 119.755 119.950 0.074 0.000 2.704 307 F HA 0.179 4.705 4.527 -0.001 0.000 0.304 307 F C 2.543 178.391 175.800 0.080 0.000 1.094 307 F CA 0.115 58.165 58.000 0.083 0.000 1.275 307 F CB 0.594 39.652 39.000 0.098 0.000 1.073 307 F HN 0.477 nan 8.300 nan 0.000 0.586 308 E N 0.894 121.211 120.200 0.194 0.000 2.204 308 E HA -0.213 4.137 4.350 -0.001 0.000 0.195 308 E C 1.666 178.324 176.600 0.097 0.000 0.990 308 E CA 1.903 58.386 56.400 0.139 0.000 0.821 308 E CB -1.233 28.527 29.700 0.100 0.000 0.750 308 E HN 0.453 nan 8.360 nan 0.000 0.477 309 T N -0.460 114.133 114.554 0.065 0.000 2.929 309 T HA -0.070 4.279 4.350 -0.001 0.000 0.271 309 T C 2.167 176.874 174.700 0.011 0.000 1.085 309 T CA 1.023 63.138 62.100 0.026 0.000 1.125 309 T CB -0.436 68.432 68.868 0.001 0.000 0.874 309 T HN 0.140 nan 8.240 nan 0.000 0.494 310 L N -0.287 120.963 121.223 0.046 0.000 1.973 310 L HA 0.060 4.400 4.340 -0.001 0.000 0.208 310 L C 2.632 179.473 176.870 -0.049 0.000 1.073 310 L CA 1.008 55.828 54.840 -0.034 0.000 0.746 310 L CB -0.773 41.291 42.059 0.007 0.000 0.891 310 L HN 0.218 nan 8.230 nan 0.000 0.433 311 L N 0.140 121.432 121.223 0.115 0.000 2.079 311 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 311 L C 2.419 179.325 176.870 0.061 0.000 1.081 311 L CA 1.733 56.670 54.840 0.163 0.000 0.752 311 L CB -0.575 41.619 42.059 0.225 0.000 0.896 311 L HN 0.225 nan 8.230 nan 0.000 0.433 312 E N -1.329 118.897 120.200 0.044 0.000 2.085 312 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 312 E C 1.906 178.494 176.600 -0.020 0.000 0.994 312 E CA 1.874 58.285 56.400 0.018 0.000 0.801 312 E CB -0.213 29.498 29.700 0.019 0.000 0.743 312 E HN 0.563 nan 8.360 nan 0.000 0.453 313 T N 0.622 115.140 114.554 -0.060 0.000 2.708 313 T HA -0.132 4.218 4.350 -0.001 0.000 0.266 313 T C 2.111 176.727 174.700 -0.140 0.000 1.037 313 T CA 1.097 63.126 62.100 -0.119 0.000 1.146 313 T CB -0.284 68.489 68.868 -0.158 0.000 0.865 313 T HN -0.023 nan 8.240 nan 0.000 0.435 314 V N 1.643 121.484 119.914 -0.121 0.000 2.255 314 V HA -0.278 3.841 4.120 -0.001 0.000 0.247 314 V C 2.678 178.741 176.094 -0.051 0.000 1.051 314 V CA 1.797 64.036 62.300 -0.101 0.000 1.018 314 V CB -0.794 31.001 31.823 -0.047 0.000 0.641 314 V HN 0.507 nan 8.190 nan 0.000 0.445 315 Q N -0.525 119.267 119.800 -0.012 0.000 1.998 315 Q HA -0.244 4.096 4.340 -0.001 0.000 0.209 315 Q C 2.328 178.341 176.000 0.021 0.000 1.002 315 Q CA 2.568 58.378 55.803 0.011 0.000 0.858 315 Q CB -0.591 28.162 28.738 0.024 0.000 0.932 315 Q HN 0.535 nan 8.270 nan 0.000 0.416 316 V N 1.230 121.155 119.914 0.018 0.000 2.278 316 V HA -0.322 3.798 4.120 -0.001 0.000 0.251 316 V C 2.313 178.479 176.094 0.119 0.000 1.062 316 V CA 1.908 64.249 62.300 0.069 0.000 1.038 316 V CB -0.711 31.138 31.823 0.044 0.000 0.646 316 V HN 0.346 nan 8.190 nan 0.000 0.447 317 L N -0.718 120.483 121.223 -0.037 0.000 1.990 317 L HA -0.222 4.118 4.340 -0.001 0.000 0.213 317 L C 2.457 179.423 176.870 0.161 0.000 1.072 317 L CA 1.658 56.442 54.840 -0.093 0.000 0.755 317 L CB -0.696 41.124 42.059 -0.398 0.000 0.889 317 L HN 0.198 nan 8.230 nan 0.000 0.432 318 V N 0.060 120.035 119.914 0.102 0.000 2.223 318 V HA -0.331 3.789 4.120 -0.001 0.000 0.244 318 V C 2.557 178.724 176.094 0.122 0.000 1.045 318 V CA 2.270 64.642 62.300 0.120 0.000 1.000 318 V CB -0.676 31.174 31.823 0.045 0.000 0.635 318 V HN 0.516 nan 8.190 nan 0.000 0.445 319 K N -0.139 120.316 120.400 0.092 0.000 2.032 319 K HA -0.233 4.086 4.320 -0.001 0.000 0.209 319 K C 1.259 177.909 176.600 0.083 0.000 1.048 319 K CA 2.276 58.608 56.287 0.076 0.000 0.927 319 K CB -0.239 32.295 32.500 0.056 0.000 0.712 319 K HN 0.448 nan 8.250 nan 0.000 0.441 320 D N -1.300 119.178 120.400 0.130 0.000 2.433 320 D HA 0.051 4.691 4.640 -0.001 0.000 0.211 320 D C 0.236 176.505 176.300 -0.052 0.000 1.114 320 D CA 0.156 54.172 54.000 0.026 0.000 0.837 320 D CB 0.480 41.271 40.800 -0.016 0.000 0.984 320 D HN 0.252 nan 8.370 nan 0.000 0.505 321 Y N 0.438 120.790 120.300 0.088 0.000 2.499 321 Y HA 0.090 4.639 4.550 -0.001 0.000 0.253 321 Y C 0.019 176.039 175.900 0.201 0.000 1.105 321 Y CA -0.394 57.801 58.100 0.157 0.000 1.240 321 Y CB 0.845 39.432 38.460 0.212 0.000 1.289 321 Y HN -0.246 nan 8.280 nan 0.000 0.534 322 D N -0.185 120.379 120.400 0.273 0.000 2.947 322 D HA -0.204 4.436 4.640 -0.001 0.000 0.224 322 D C -0.664 175.740 176.300 0.174 0.000 1.132 322 D CA 0.681 54.783 54.000 0.171 0.000 0.801 322 D CB -1.576 39.272 40.800 0.081 0.000 1.097 322 D HN 0.148 nan 8.370 nan 0.000 0.431 323 F N 1.209 121.205 119.950 0.077 0.000 2.379 323 F HA 0.294 4.821 4.527 -0.000 0.000 0.332 323 F C 1.392 177.203 175.800 0.019 0.000 1.096 323 F CA -0.458 57.569 58.000 0.044 0.000 1.105 323 F CB 1.007 40.021 39.000 0.023 0.000 1.189 323 F HN -0.211 nan 8.300 nan 0.000 0.515 324 S N 3.394 119.166 115.700 0.120 0.000 2.585 324 S HA 0.219 4.689 4.470 -0.001 0.000 0.273 324 S C 1.472 176.118 174.600 0.076 0.000 1.339 324 S CA -0.719 57.531 58.200 0.082 0.000 1.028 324 S CB 0.721 63.960 63.200 0.065 0.000 0.906 324 S HN 0.609 nan 8.310 nan 0.000 0.528 325 I N 1.145 121.687 120.570 -0.048 0.000 2.208 325 I HA -0.208 3.961 4.170 -0.001 0.000 0.245 325 I C 2.699 178.740 176.117 -0.127 0.000 1.097 325 I CA 1.239 62.417 61.300 -0.203 0.000 1.363 325 I CB -0.544 37.066 38.000 -0.650 0.000 1.051 325 I HN 0.712 nan 8.210 nan 0.000 0.413 326 S N 0.354 116.036 115.700 -0.030 0.000 2.359 326 S HA -0.231 4.239 4.470 -0.001 0.000 0.224 326 S C 1.592 176.256 174.600 0.106 0.000 1.035 326 S CA 1.763 60.025 58.200 0.104 0.000 1.018 326 S CB -0.228 63.091 63.200 0.199 0.000 0.876 326 S HN 0.422 nan 8.310 nan 0.000 0.448 327 D N 0.846 121.326 120.400 0.134 0.000 2.183 327 D HA 0.119 4.759 4.640 -0.001 0.000 0.203 327 D C 1.990 178.431 176.300 0.236 0.000 0.969 327 D CA 0.920 55.041 54.000 0.202 0.000 0.842 327 D CB -0.360 40.581 40.800 0.235 0.000 0.957 327 D HN 0.377 nan 8.370 nan 0.000 0.484 328 A N 0.330 123.263 122.820 0.188 0.000 2.015 328 A HA -0.073 4.246 4.320 -0.001 0.000 0.219 328 A C 2.258 179.820 177.584 -0.037 0.000 1.163 328 A CA 0.690 52.740 52.037 0.022 0.000 0.646 328 A CB -0.488 18.506 19.000 -0.010 0.000 0.806 328 A HN 0.205 nan 8.150 nan 0.000 0.448 329 L N -1.120 120.111 121.223 0.013 0.000 2.095 329 L HA -0.147 4.193 4.340 -0.001 0.000 0.204 329 L C 2.722 179.605 176.870 0.021 0.000 1.080 329 L CA 0.994 55.851 54.840 0.028 0.000 0.759 329 L CB -0.542 41.566 42.059 0.081 0.000 0.914 329 L HN 0.401 nan 8.230 nan 0.000 0.439 330 R N 0.266 120.794 120.500 0.047 0.000 2.189 330 R HA -0.246 4.094 4.340 -0.001 0.000 0.252 330 R C -0.561 175.748 176.300 0.015 0.000 1.134 330 R CA 2.120 58.249 56.100 0.048 0.000 0.954 330 R CB -2.199 28.140 30.300 0.066 0.000 0.890 330 R HN 0.393 nan 8.270 nan 0.000 0.443 331 P HA -0.092 nan 4.420 nan 0.000 0.228 331 P C 0.911 178.168 177.300 -0.071 0.000 1.151 331 P CA 1.234 64.301 63.100 -0.055 0.000 0.770 331 P CB 0.065 31.708 31.700 -0.094 0.000 0.786 332 L N -2.082 119.086 121.223 -0.091 0.000 2.766 332 L HA 0.187 4.527 4.340 -0.001 0.000 0.242 332 L C 1.357 178.253 176.870 0.043 0.000 1.136 332 L CA 0.555 55.324 54.840 -0.117 0.000 0.933 332 L CB -0.059 41.741 42.059 -0.433 0.000 1.241 332 L HN 0.149 nan 8.230 nan 0.000 0.522 333 T N -5.251 109.344 114.554 0.067 0.000 2.232 333 T HA 0.024 4.374 4.350 -0.001 0.000 0.164 333 T C 1.608 176.362 174.700 0.089 0.000 0.764 333 T CA 0.596 62.767 62.100 0.118 0.000 0.938 333 T CB -0.188 68.770 68.868 0.150 0.000 2.863 333 T HN 0.022 nan 8.240 nan 0.000 0.384 334 S N 1.971 117.721 115.700 0.084 0.000 2.387 334 S HA -0.165 4.304 4.470 -0.001 0.000 0.230 334 S C 2.248 176.888 174.600 0.065 0.000 1.035 334 S CA 1.866 60.109 58.200 0.071 0.000 1.014 334 S CB -1.381 61.861 63.200 0.070 0.000 0.836 334 S HN 0.489 nan 8.310 nan 0.000 0.466 335 S N 1.414 117.149 115.700 0.059 0.000 2.370 335 S HA -0.062 4.408 4.470 -0.001 0.000 0.226 335 S C 2.011 176.661 174.600 0.082 0.000 1.033 335 S CA 1.424 59.658 58.200 0.056 0.000 1.011 335 S CB -0.628 62.588 63.200 0.027 0.000 0.852 335 S HN 0.504 nan 8.310 nan 0.000 0.457 336 V N 1.940 121.899 119.914 0.075 0.000 2.307 336 V HA -0.122 3.997 4.120 -0.001 0.000 0.245 336 V C 2.646 178.799 176.094 0.098 0.000 1.045 336 V CA 1.560 63.923 62.300 0.103 0.000 1.024 336 V CB -1.365 30.508 31.823 0.083 0.000 0.651 336 V HN 0.521 nan 8.190 nan 0.000 0.449 337 A N 0.878 123.736 122.820 0.062 0.000 1.978 337 A HA -0.103 4.217 4.320 -0.001 0.000 0.220 337 A C 2.380 179.971 177.584 0.012 0.000 1.170 337 A CA 2.032 54.080 52.037 0.018 0.000 0.636 337 A CB -1.213 17.808 19.000 0.034 0.000 0.810 337 A HN 0.544 nan 8.150 nan 0.000 0.448 338 G N -1.309 107.524 108.800 0.056 0.000 2.404 338 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.215 338 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.215 338 G C 1.455 176.410 174.900 0.092 0.000 1.174 338 G CA 1.133 46.272 45.100 0.064 0.000 0.780 338 G HN 0.511 nan 8.290 nan 0.000 0.537 339 F N 0.925 120.860 119.950 -0.026 0.000 2.206 339 F HA 0.205 4.732 4.527 -0.001 0.000 0.298 339 F C 2.067 177.836 175.800 -0.051 0.000 1.090 339 F CA 0.906 58.890 58.000 -0.026 0.000 1.323 339 F CB 0.031 39.025 39.000 -0.010 0.000 1.028 339 F HN 0.005 nan 8.300 nan 0.000 0.492 340 L N 0.363 121.517 121.223 -0.115 0.000 2.592 340 L HA 0.075 4.415 4.340 -0.001 0.000 0.227 340 L C 0.099 176.808 176.870 -0.269 0.000 1.127 340 L CA 0.124 54.796 54.840 -0.280 0.000 0.884 340 L CB -0.620 41.322 42.059 -0.195 0.000 1.065 340 L HN 0.130 nan 8.230 nan 0.000 0.457 341 N N 0.465 119.055 118.700 -0.183 0.000 2.735 341 N HA -0.188 4.552 4.740 -0.001 0.000 0.248 341 N C -0.221 175.182 175.510 -0.179 0.000 1.083 341 N CA 0.730 53.688 53.050 -0.154 0.000 0.703 341 N CB -1.813 36.576 38.487 -0.164 0.000 1.005 341 N HN 0.316 nan 8.380 nan 0.000 0.550 342 L N 0.864 121.970 121.223 -0.194 0.000 2.448 342 L HA 0.094 4.434 4.340 -0.001 0.000 0.278 342 L C 0.825 177.643 176.870 -0.087 0.000 1.201 342 L CA 0.117 54.818 54.840 -0.232 0.000 1.036 342 L CB -0.265 41.624 42.059 -0.283 0.000 1.325 342 L HN -0.026 nan 8.230 nan 0.000 0.441 343 T N 2.059 116.576 114.554 -0.062 0.000 2.908 343 T HA 0.185 4.535 4.350 -0.001 0.000 0.301 343 T C 1.244 175.966 174.700 0.036 0.000 1.019 343 T CA 1.181 63.278 62.100 -0.007 0.000 1.152 343 T CB 0.879 69.746 68.868 -0.002 0.000 0.966 343 T HN 0.977 nan 8.240 nan 0.000 0.540 344 G N 2.578 111.403 108.800 0.041 0.000 2.179 344 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.260 344 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.260 344 G C 0.151 175.095 174.900 0.075 0.000 0.977 344 G CA -0.000 45.136 45.100 0.059 0.000 0.641 344 G HN 0.579 nan 8.290 nan 0.000 0.533 345 K N -0.669 119.773 120.400 0.071 0.000 2.295 345 K HA 0.709 5.028 4.320 -0.001 0.000 0.239 345 K C 1.279 177.924 176.600 0.074 0.000 0.991 345 K CA -0.098 56.242 56.287 0.088 0.000 0.845 345 K CB 1.046 33.612 32.500 0.110 0.000 1.197 345 K HN 1.159 nan 8.250 nan 0.000 0.441 346 G N 0.572 109.427 108.800 0.093 0.000 2.245 346 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.264 346 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.264 346 G C -0.183 174.771 174.900 0.091 0.000 0.985 346 G CA 0.610 45.768 45.100 0.096 0.000 0.625 346 G HN 0.513 nan 8.290 nan 0.000 0.536 347 E N -1.144 119.103 120.200 0.078 0.000 2.390 347 E HA 0.602 4.952 4.350 -0.001 0.000 0.277 347 E C -0.835 175.803 176.600 0.063 0.000 0.939 347 E CA -0.998 55.446 56.400 0.073 0.000 0.769 347 E CB 1.862 31.599 29.700 0.061 0.000 1.251 347 E HN 0.158 nan 8.360 nan 0.000 0.450 348 I N 3.202 123.809 120.570 0.062 0.000 2.282 348 I HA 0.272 4.442 4.170 -0.001 0.000 0.290 348 I C -0.842 175.297 176.117 0.036 0.000 1.090 348 I CA 0.179 61.507 61.300 0.047 0.000 1.231 348 I CB -0.017 38.012 38.000 0.049 0.000 1.434 348 I HN 0.158 nan 8.210 nan 0.000 0.487 349 L N 7.171 128.413 121.223 0.031 0.000 2.415 349 L HA 0.599 4.939 4.340 -0.001 0.000 0.256 349 L C -2.535 174.348 176.870 0.022 0.000 1.010 349 L CA -2.089 52.766 54.840 0.025 0.000 0.826 349 L CB 2.547 44.622 42.059 0.027 0.000 1.405 349 L HN 0.176 nan 8.230 nan 0.000 0.410 350 P HA 0.180 nan 4.420 nan 0.000 0.271 350 P C 0.637 177.950 177.300 0.021 0.000 1.216 350 P CA 0.669 63.779 63.100 0.017 0.000 0.771 350 P CB 0.971 32.678 31.700 0.013 0.000 0.864 351 G N 1.850 110.664 108.800 0.024 0.000 2.258 351 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.233 351 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.233 351 G C 0.479 175.398 174.900 0.031 0.000 1.006 351 G CA -0.312 44.804 45.100 0.027 0.000 0.620 351 G HN 0.521 nan 8.290 nan 0.000 0.511 352 N N 1.618 120.337 118.700 0.033 0.000 2.381 352 N HA 0.472 5.212 4.740 -0.001 0.000 0.254 352 N C -0.264 175.272 175.510 0.043 0.000 1.264 352 N CA -0.310 52.764 53.050 0.041 0.000 0.942 352 N CB 0.382 38.895 38.487 0.043 0.000 1.190 352 N HN 0.215 nan 8.380 nan 0.000 0.495 353 D N -0.152 120.281 120.400 0.055 0.000 2.341 353 D HA 0.252 4.891 4.640 -0.001 0.000 0.245 353 D C -0.331 175.999 176.300 0.051 0.000 1.106 353 D CA -0.154 53.879 54.000 0.056 0.000 0.905 353 D CB 0.641 41.486 40.800 0.074 0.000 1.202 353 D HN 0.462 nan 8.370 nan 0.000 0.426 354 A N 2.278 125.124 122.820 0.044 0.000 3.004 354 A HA 0.180 4.500 4.320 -0.001 0.000 0.286 354 A C -0.557 177.068 177.584 0.069 0.000 1.632 354 A CA -0.423 51.636 52.037 0.036 0.000 1.339 354 A CB -0.263 18.742 19.000 0.009 0.000 1.136 354 A HN 0.224 nan 8.150 nan 0.000 0.577 355 D N 1.743 122.186 120.400 0.071 0.000 2.473 355 D HA 0.549 5.189 4.640 -0.001 0.000 0.226 355 D C -0.545 175.801 176.300 0.077 0.000 1.089 355 D CA 0.399 54.449 54.000 0.083 0.000 0.883 355 D CB 0.935 41.783 40.800 0.081 0.000 1.029 355 D HN 0.390 nan 8.370 nan 0.000 0.517 356 L N 1.420 122.711 121.223 0.114 0.000 2.388 356 L HA 0.534 4.874 4.340 -0.001 0.000 0.264 356 L C -0.477 176.462 176.870 0.115 0.000 0.998 356 L CA -0.875 54.022 54.840 0.095 0.000 0.817 356 L CB 2.186 44.279 42.059 0.056 0.000 1.338 356 L HN 0.003 nan 8.230 nan 0.000 0.414 357 L N 2.605 123.849 121.223 0.035 0.000 2.317 357 L HA 0.644 4.984 4.340 -0.001 0.000 0.281 357 L C -0.796 176.105 176.870 0.052 0.000 1.024 357 L CA -0.955 53.879 54.840 -0.011 0.000 0.810 357 L CB 2.074 44.040 42.059 -0.156 0.000 1.240 357 L HN 0.258 nan 8.230 nan 0.000 0.427 358 V N 4.288 124.242 119.914 0.066 0.000 2.378 358 V HA 0.492 4.612 4.120 -0.001 0.000 0.288 358 V C 0.122 176.246 176.094 0.051 0.000 1.016 358 V CA -0.275 62.075 62.300 0.085 0.000 0.840 358 V CB 1.518 33.417 31.823 0.127 0.000 0.994 358 V HN 0.738 nan 8.190 nan 0.000 0.431 359 M N 2.760 122.393 119.600 0.055 0.000 2.761 359 M HA 0.550 5.030 4.480 -0.001 0.000 0.305 359 M C 0.336 176.667 176.300 0.052 0.000 1.235 359 M CA -0.676 54.649 55.300 0.042 0.000 0.850 359 M CB 2.559 35.179 32.600 0.033 0.000 1.744 359 M HN 0.660 nan 8.290 nan 0.000 0.480 360 T N -2.239 112.340 114.554 0.042 0.000 2.828 360 T HA 0.274 4.624 4.350 -0.001 0.000 0.290 360 T C -2.112 172.615 174.700 0.045 0.000 1.019 360 T CA -1.408 60.718 62.100 0.044 0.000 1.031 360 T CB 0.247 69.136 68.868 0.036 0.000 1.001 360 T HN 0.390 nan 8.240 nan 0.000 0.531 361 P HA 0.011 nan 4.420 nan 0.000 0.225 361 P C 0.495 177.812 177.300 0.029 0.000 1.148 361 P CA 0.833 63.961 63.100 0.047 0.000 0.779 361 P CB -0.086 31.649 31.700 0.058 0.000 0.780 362 E N -0.107 120.111 120.200 0.029 0.000 2.437 362 E HA 0.204 4.554 4.350 -0.001 0.000 0.189 362 E C 0.161 176.775 176.600 0.023 0.000 1.054 362 E CA -0.159 56.256 56.400 0.025 0.000 0.874 362 E CB -0.464 29.252 29.700 0.027 0.000 1.011 362 E HN 0.045 nan 8.360 nan 0.000 0.474 363 L N 0.636 121.871 121.223 0.021 0.000 3.472 363 L HA -0.255 4.085 4.340 -0.001 0.000 0.485 363 L C 0.045 176.938 176.870 0.037 0.000 1.312 363 L CA 0.247 55.102 54.840 0.025 0.000 0.869 363 L CB -1.582 40.491 42.059 0.022 0.000 1.687 363 L HN 0.288 nan 8.230 nan 0.000 0.853 364 R N 1.091 121.611 120.500 0.033 0.000 2.562 364 R HA 0.689 5.028 4.340 -0.001 0.000 0.298 364 R C -0.077 176.238 176.300 0.024 0.000 0.961 364 R CA -0.883 55.236 56.100 0.032 0.000 0.881 364 R CB 1.498 31.816 30.300 0.029 0.000 1.159 364 R HN 0.260 nan 8.270 nan 0.000 0.450 365 I N 4.405 124.985 120.570 0.016 0.000 2.496 365 I HA 0.024 4.194 4.170 -0.001 0.000 0.285 365 I C 0.862 176.978 176.117 -0.002 0.000 1.080 365 I CA 0.389 61.686 61.300 -0.005 0.000 1.404 365 I CB 1.418 39.401 38.000 -0.029 0.000 1.403 365 I HN 0.742 nan 8.210 nan 0.000 0.539 366 E N 4.252 124.452 120.200 -0.000 0.000 2.279 366 E HA 0.147 4.497 4.350 -0.001 0.000 0.199 366 E C -0.155 176.434 176.600 -0.019 0.000 0.893 366 E CA -0.004 56.397 56.400 0.001 0.000 0.978 366 E CB 0.399 30.110 29.700 0.020 0.000 0.964 366 E HN 0.603 nan 8.360 nan 0.000 0.486 367 Q N 0.791 120.582 119.800 -0.013 0.000 2.433 367 Q HA 0.626 4.966 4.340 -0.001 0.000 0.279 367 Q C -1.302 174.653 176.000 -0.075 0.000 1.105 367 Q CA -0.762 55.003 55.803 -0.064 0.000 0.815 367 Q CB 3.539 32.273 28.738 -0.007 0.000 1.403 367 Q HN -0.090 nan 8.270 nan 0.000 0.435 368 V N 1.787 121.573 119.914 -0.212 0.000 2.668 368 V HA 0.359 4.478 4.120 -0.001 0.000 0.304 368 V C -1.739 174.154 176.094 -0.335 0.000 1.071 368 V CA -0.778 61.425 62.300 -0.162 0.000 0.894 368 V CB 1.358 33.102 31.823 -0.133 0.000 1.008 368 V HN 0.643 nan 8.190 nan 0.000 0.425 369 Y N 2.571 122.848 120.300 -0.037 0.000 2.352 369 Y HA 0.777 5.327 4.550 -0.000 0.000 0.339 369 Y C 0.419 176.304 175.900 -0.026 0.000 0.992 369 Y CA -0.562 57.524 58.100 -0.025 0.000 1.100 369 Y CB 2.147 40.601 38.460 -0.011 0.000 1.192 369 Y HN 0.722 nan 8.280 nan 0.000 0.458 370 A N 3.719 126.591 122.820 0.088 0.000 2.319 370 A HA 0.627 4.947 4.320 -0.001 0.000 0.310 370 A C 0.082 177.701 177.584 0.059 0.000 1.152 370 A CA -1.021 51.046 52.037 0.050 0.000 0.783 370 A CB 0.428 19.424 19.000 -0.006 0.000 1.184 370 A HN 0.968 nan 8.150 nan 0.000 0.474 371 R N 1.694 122.231 120.500 0.062 0.000 3.405 371 R HA -0.256 4.083 4.340 -0.001 0.000 0.258 371 R C 1.107 177.446 176.300 0.065 0.000 1.030 371 R CA 1.005 57.135 56.100 0.050 0.000 0.691 371 R CB -2.052 28.261 30.300 0.022 0.000 1.093 371 R HN 2.376 nan 8.270 nan 0.000 0.448 372 G N 0.125 108.992 108.800 0.112 0.000 2.162 372 G HA2 -0.406 3.554 3.960 -0.001 0.000 0.260 372 G HA3 -0.406 3.554 3.960 -0.001 0.000 0.260 372 G C 0.019 175.050 174.900 0.218 0.000 0.976 372 G CA 0.850 46.036 45.100 0.144 0.000 0.655 372 G HN 0.513 nan 8.290 nan 0.000 0.533 373 K N 0.264 120.760 120.400 0.159 0.000 2.235 373 K HA 0.641 4.960 4.320 -0.001 0.000 0.266 373 K C 0.200 176.790 176.600 -0.016 0.000 0.980 373 K CA -1.208 55.129 56.287 0.083 0.000 0.849 373 K CB 0.952 33.461 32.500 0.015 0.000 1.098 373 K HN 0.214 nan 8.250 nan 0.000 0.445 374 L N 6.081 127.236 121.223 -0.114 0.000 2.530 374 L HA 0.049 4.388 4.340 -0.001 0.000 0.273 374 L C 0.492 177.211 176.870 -0.253 0.000 1.141 374 L CA 0.493 55.091 54.840 -0.404 0.000 0.905 374 L CB 0.400 42.258 42.059 -0.335 0.000 1.202 374 L HN 0.877 nan 8.230 nan 0.000 0.473 375 M N 4.417 123.848 119.600 -0.281 0.000 2.615 375 M HA 0.266 4.746 4.480 -0.001 0.000 0.262 375 M C -0.062 176.143 176.300 -0.158 0.000 1.198 375 M CA 0.526 55.721 55.300 -0.175 0.000 1.165 375 M CB 0.021 32.536 32.600 -0.141 0.000 1.310 375 M HN 0.336 nan 8.290 nan 0.000 0.494 376 V N 0.862 120.657 119.914 -0.199 0.000 2.686 376 V HA 0.453 4.573 4.120 -0.001 0.000 0.306 376 V C -0.523 175.479 176.094 -0.153 0.000 1.065 376 V CA -1.091 61.123 62.300 -0.144 0.000 0.894 376 V CB 3.094 34.850 31.823 -0.113 0.000 1.004 376 V HN 0.127 nan 8.190 nan 0.000 0.424 377 K N 2.372 122.712 120.400 -0.101 0.000 2.471 377 K HA 0.418 4.738 4.320 -0.001 0.000 0.252 377 K C -1.052 175.523 176.600 -0.042 0.000 0.938 377 K CA -0.512 55.730 56.287 -0.075 0.000 0.796 377 K CB 1.430 33.890 32.500 -0.068 0.000 1.161 377 K HN 0.766 nan 8.250 nan 0.000 0.425 378 D N 2.690 123.074 120.400 -0.026 0.000 2.697 378 D HA -0.167 4.473 4.640 -0.001 0.000 0.238 378 D C 0.648 176.941 176.300 -0.013 0.000 1.152 378 D CA 1.831 55.824 54.000 -0.011 0.000 0.666 378 D CB -1.093 39.703 40.800 -0.007 0.000 1.037 378 D HN 1.059 nan 8.370 nan 0.000 0.423 379 G N -0.377 108.412 108.800 -0.017 0.000 2.200 379 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.267 379 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.267 379 G C 0.325 175.214 174.900 -0.017 0.000 0.993 379 G CA 1.109 46.200 45.100 -0.014 0.000 0.701 379 G HN 0.514 nan 8.290 nan 0.000 0.524 380 K N -0.313 120.071 120.400 -0.027 0.000 2.422 380 K HA 0.665 4.985 4.320 -0.001 0.000 0.251 380 K C 0.027 176.602 176.600 -0.042 0.000 0.933 380 K CA -0.301 55.970 56.287 -0.026 0.000 0.798 380 K CB 2.153 34.644 32.500 -0.016 0.000 1.238 380 K HN 0.446 nan 8.250 nan 0.000 0.428 381 A N 1.450 124.246 122.820 -0.040 0.000 2.451 381 A HA 0.118 4.438 4.320 -0.001 0.000 0.266 381 A C 1.031 178.585 177.584 -0.050 0.000 1.119 381 A CA -0.440 51.565 52.037 -0.053 0.000 0.786 381 A CB -0.685 18.287 19.000 -0.047 0.000 1.061 381 A HN 0.994 nan 8.150 nan 0.000 0.503 382 C N 1.295 120.557 119.300 -0.064 0.000 2.799 382 C HA 0.461 4.921 4.460 -0.001 0.000 0.267 382 C C 0.434 175.389 174.990 -0.058 0.000 1.257 382 C CA -0.422 58.563 59.018 -0.056 0.000 1.702 382 C CB -1.646 26.057 27.740 -0.061 0.000 1.934 382 C HN 0.435 nan 8.230 nan 0.000 0.594 383 V N 2.004 121.879 119.914 -0.066 0.000 2.407 383 V HA 0.425 4.544 4.120 -0.001 0.000 0.291 383 V C -0.362 175.694 176.094 -0.062 0.000 1.018 383 V CA -0.076 62.184 62.300 -0.066 0.000 0.842 383 V CB 1.348 33.126 31.823 -0.075 0.000 0.996 383 V HN 0.359 nan 8.190 nan 0.000 0.426 384 K N 2.303 122.668 120.400 -0.059 0.000 2.281 384 K HA 0.701 5.021 4.320 -0.001 0.000 0.242 384 K C 0.505 177.061 176.600 -0.073 0.000 0.971 384 K CA -0.579 55.675 56.287 -0.055 0.000 0.834 384 K CB 2.060 34.536 32.500 -0.039 0.000 1.181 384 K HN 0.835 nan 8.250 nan 0.000 0.435 385 G N 0.220 108.981 108.800 -0.065 0.000 2.554 385 G HA2 -0.050 3.910 3.960 -0.001 0.000 0.238 385 G HA3 -0.050 3.910 3.960 -0.001 0.000 0.238 385 G C 0.739 175.552 174.900 -0.144 0.000 1.259 385 G CA -0.227 44.821 45.100 -0.087 0.000 0.843 385 G HN 0.645 nan 8.290 nan 0.000 0.582 386 T N 1.230 115.627 114.554 -0.263 0.000 2.751 386 T HA -0.210 4.140 4.350 -0.001 0.000 0.268 386 T C 1.317 175.602 174.700 -0.693 0.000 1.045 386 T CA 1.717 63.495 62.100 -0.535 0.000 1.142 386 T CB -0.259 68.169 68.868 -0.734 0.000 0.851 386 T HN 0.460 nan 8.240 nan 0.000 0.474 387 F N 0.637 120.581 119.950 -0.009 0.000 2.668 387 F HA 0.310 4.836 4.527 -0.000 0.000 0.301 387 F C 0.739 176.537 175.800 -0.003 0.000 1.106 387 F CA -0.778 57.218 58.000 -0.006 0.000 1.289 387 F CB 0.318 39.315 39.000 -0.004 0.000 1.006 387 F HN 0.034 nan 8.300 nan 0.000 0.535 388 E N 1.266 121.527 120.200 0.102 0.000 2.373 388 E HA 0.307 4.657 4.350 -0.001 0.000 0.267 388 E C 0.222 176.862 176.600 0.067 0.000 1.032 388 E CA 0.091 56.535 56.400 0.073 0.000 0.889 388 E CB 1.022 30.741 29.700 0.030 0.000 0.984 388 E HN 0.153 nan 8.360 nan 0.000 0.425 389 T N 0.000 114.589 114.554 0.058 0.000 3.816 389 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 389 T CA 0.000 62.128 62.100 0.046 0.000 1.349 389 T CB 0.000 68.900 68.868 0.054 0.000 0.612 389 T HN 0.000 nan 8.240 nan 0.000 0.658