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 2oof_1_A DATA FIRST_RESID 3 DATA SEQUENCE LNCERVWLNV TPATLRSDLA DYGLLEPHAL GVHEGRIHAL VPXQDLKXXY DATA SEQUENCE PAHWQDXKGK LVTPGLIDCH THLIFAGSRA EEFELRQKGV PYAEIARKGG DATA SEQUENCE GIISTVRATR AASEDQLFEL ALPRVKSLIR EGVTTVEIKS GYGLTLEDEL DATA SEQUENCE KXLRVARRLG EALPIRVKTT LLAAHAVPPE YRDDPDSWVE TICQEIIPAA DATA SEQUENCE AEAGLADAVD VFCEHIGFSL AQTEQVYLAA DQYGLAVKGH XDQLSNLGGS DATA SEQUENCE TLAANFGALS VDHLEYLDPE GIQALAHRGV VATLLPTAFY FLKETKLPPV DATA SEQUENCE VALRKAGVPX AVSSDINPGT APIVSLRXAX NXACTLFGLT PVEAXAGVTR DATA SEQUENCE HAARALGEQE QLGQLRVGXL ADFLVWNCGH PAELSYLIGV DQLVSRVVNG DATA SEQUENCE EETLH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.983 176.870 0.189 0.000 1.165 3 L CA 0.000 54.970 54.840 0.216 0.000 0.813 3 L CB 0.000 42.217 42.059 0.263 0.000 0.961 4 N N 1.434 120.218 118.700 0.140 0.000 2.405 4 N HA -0.219 4.521 4.740 0.001 0.000 0.255 4 N C -0.301 175.124 175.510 -0.141 0.000 1.039 4 N CA 1.522 54.596 53.050 0.039 0.000 0.852 4 N CB -1.714 36.800 38.487 0.045 0.000 1.081 4 N HN 0.545 nan 8.380 nan 0.000 0.602 5 C N -2.998 116.283 119.300 -0.031 0.000 2.898 5 C HA 0.603 5.064 4.460 0.001 0.000 0.304 5 C C 1.389 176.449 174.990 0.117 0.000 1.237 5 C CA -0.510 58.459 59.018 -0.082 0.000 1.529 5 C CB 2.174 29.907 27.740 -0.012 0.000 2.021 5 C HN 0.391 nan 8.230 nan 0.000 0.474 6 E N 0.808 121.115 120.200 0.178 0.000 2.285 6 E HA 0.000 4.351 4.350 0.001 0.000 0.194 6 E C 0.183 176.922 176.600 0.233 0.000 0.997 6 E CA 0.691 57.230 56.400 0.231 0.000 0.845 6 E CB 0.212 30.020 29.700 0.181 0.000 0.782 6 E HN 0.763 nan 8.360 nan 0.000 0.491 7 R N 0.420 120.966 120.500 0.077 0.000 2.621 7 R HA 0.650 4.990 4.340 0.001 0.000 0.292 7 R C -1.228 174.840 176.300 -0.386 0.000 0.969 7 R CA -0.702 55.316 56.100 -0.137 0.000 0.887 7 R CB 2.677 32.944 30.300 -0.053 0.000 1.180 7 R HN -0.120 nan 8.270 nan 0.000 0.450 8 V N 2.441 121.816 119.914 -0.898 0.000 2.808 8 V HA 0.416 4.536 4.120 0.001 0.000 0.308 8 V C -0.958 174.651 176.094 -0.809 0.000 1.099 8 V CA -0.885 60.869 62.300 -0.910 0.000 0.920 8 V CB 2.627 33.350 31.823 -1.833 0.000 1.014 8 V HN 0.679 nan 8.190 nan 0.000 0.425 9 W N 5.275 126.364 121.300 -0.352 0.000 2.329 9 W HA 0.630 5.291 4.660 0.001 0.000 0.312 9 W C -0.715 175.664 176.519 -0.234 0.000 1.054 9 W CA -0.532 56.685 57.345 -0.214 0.000 1.245 9 W CB 1.741 31.115 29.460 -0.142 0.000 1.255 9 W HN 0.363 nan 8.180 nan 0.000 0.436 10 L N 4.189 125.378 121.223 -0.056 0.000 2.360 10 L HA 0.301 4.641 4.340 0.001 0.000 0.271 10 L C 0.714 177.579 176.870 -0.008 0.000 1.057 10 L CA -0.711 54.072 54.840 -0.096 0.000 0.803 10 L CB 0.535 42.485 42.059 -0.182 0.000 1.207 10 L HN 0.421 nan 8.230 nan 0.000 0.445 11 N N 0.737 119.429 118.700 -0.014 0.000 2.696 11 N HA -0.138 4.602 4.740 0.001 0.000 0.256 11 N C -0.822 174.711 175.510 0.039 0.000 1.031 11 N CA 0.675 53.737 53.050 0.021 0.000 0.730 11 N CB -1.189 37.317 38.487 0.032 0.000 0.894 11 N HN 0.434 nan 8.380 nan 0.000 0.544 12 V N -2.578 117.357 119.914 0.035 0.000 2.581 12 V HA 0.668 4.789 4.120 0.001 0.000 0.303 12 V C 0.746 176.849 176.094 0.016 0.000 1.041 12 V CA -0.601 61.711 62.300 0.020 0.000 0.907 12 V CB 2.269 34.073 31.823 -0.031 0.000 0.994 12 V HN 0.147 nan 8.190 nan 0.000 0.442 13 T N 6.610 121.166 114.554 0.005 0.000 2.891 13 T HA 0.396 4.746 4.350 0.001 0.000 0.315 13 T C -2.492 172.177 174.700 -0.051 0.000 1.054 13 T CA -0.757 61.339 62.100 -0.006 0.000 0.958 13 T CB 0.798 69.661 68.868 -0.008 0.000 1.008 13 T HN 0.762 nan 8.240 nan 0.000 0.521 14 P HA 0.377 nan 4.420 nan 0.000 0.282 14 P C -1.023 176.202 177.300 -0.124 0.000 1.262 14 P CA -0.555 62.462 63.100 -0.138 0.000 0.773 14 P CB 0.868 32.430 31.700 -0.231 0.000 0.879 15 A N 3.279 126.038 122.820 -0.101 0.000 2.690 15 A HA 0.354 4.675 4.320 0.001 0.000 0.342 15 A C 1.493 179.046 177.584 -0.051 0.000 1.410 15 A CA -0.259 51.733 52.037 -0.076 0.000 0.958 15 A CB -0.477 18.457 19.000 -0.110 0.000 1.153 15 A HN 0.586 nan 8.150 nan 0.000 0.497 16 T N 0.116 114.627 114.554 -0.072 0.000 2.915 16 T HA -0.078 4.273 4.350 0.001 0.000 0.269 16 T C 0.904 175.578 174.700 -0.043 0.000 1.071 16 T CA 1.161 63.214 62.100 -0.077 0.000 1.132 16 T CB -0.742 68.064 68.868 -0.103 0.000 0.878 16 T HN 1.032 nan 8.240 nan 0.000 0.479 17 L N 0.311 121.521 121.223 -0.021 0.000 3.717 17 L HA -0.162 4.179 4.340 0.001 0.000 0.414 17 L C 0.512 177.352 176.870 -0.050 0.000 1.228 17 L CA 0.224 55.046 54.840 -0.029 0.000 0.918 17 L CB -1.403 40.642 42.059 -0.023 0.000 1.865 17 L HN 0.382 nan 8.230 nan 0.000 0.922 18 R N -0.295 120.177 120.500 -0.046 0.000 2.543 18 R HA 0.176 4.516 4.340 0.001 0.000 0.277 18 R C 1.665 177.942 176.300 -0.038 0.000 1.074 18 R CA 0.487 56.562 56.100 -0.042 0.000 1.076 18 R CB 0.690 30.965 30.300 -0.041 0.000 0.993 18 R HN 0.419 nan 8.270 nan 0.000 0.459 19 S N 1.011 116.694 115.700 -0.027 0.000 2.419 19 S HA -0.164 4.306 4.470 0.001 0.000 0.233 19 S C 1.154 175.748 174.600 -0.010 0.000 1.016 19 S CA 1.415 59.608 58.200 -0.013 0.000 0.974 19 S CB -0.097 63.105 63.200 0.004 0.000 0.786 19 S HN 0.795 nan 8.310 nan 0.000 0.492 20 D N 0.756 121.148 120.400 -0.014 0.000 2.339 20 D HA 0.131 4.771 4.640 0.001 0.000 0.217 20 D C 0.405 176.696 176.300 -0.014 0.000 1.050 20 D CA -0.077 53.917 54.000 -0.011 0.000 0.856 20 D CB -0.206 40.588 40.800 -0.010 0.000 0.922 20 D HN 0.393 nan 8.370 nan 0.000 0.518 21 L N 0.757 121.968 121.223 -0.020 0.000 2.325 21 L HA 0.594 4.935 4.340 0.001 0.000 0.278 21 L C 0.501 177.356 176.870 -0.025 0.000 1.023 21 L CA -1.271 53.557 54.840 -0.020 0.000 0.811 21 L CB 1.837 43.883 42.059 -0.022 0.000 1.249 21 L HN -0.103 nan 8.230 nan 0.000 0.431 22 A N 1.575 124.383 122.820 -0.019 0.000 2.425 22 A HA 0.281 4.601 4.320 0.001 0.000 0.242 22 A C 0.354 177.911 177.584 -0.045 0.000 1.077 22 A CA -0.146 51.874 52.037 -0.028 0.000 0.781 22 A CB 0.105 19.096 19.000 -0.015 0.000 1.020 22 A HN 0.977 nan 8.150 nan 0.000 0.494 23 D N -0.591 119.755 120.400 -0.091 0.000 3.899 23 D HA -0.292 4.349 4.640 0.001 0.000 0.146 23 D C 0.683 176.828 176.300 -0.259 0.000 0.820 23 D CA 2.856 56.739 54.000 -0.195 0.000 1.056 23 D CB -1.001 39.746 40.800 -0.088 0.000 0.474 23 D HN 0.706 nan 8.370 nan 0.000 0.457 24 Y N 1.059 121.334 120.300 -0.041 0.000 2.511 24 Y HA 0.327 4.877 4.550 0.001 0.000 0.279 24 Y C 2.045 177.897 175.900 -0.081 0.000 1.157 24 Y CA 0.962 59.018 58.100 -0.075 0.000 1.300 24 Y CB 0.268 38.659 38.460 -0.116 0.000 1.052 24 Y HN 0.617 nan 8.280 nan 0.000 0.529 25 G N 1.119 109.953 108.800 0.056 0.000 2.246 25 G HA2 -0.309 3.652 3.960 0.001 0.000 0.273 25 G HA3 -0.309 3.652 3.960 0.001 0.000 0.273 25 G C -0.037 174.859 174.900 -0.006 0.000 1.055 25 G CA -0.092 45.012 45.100 0.007 0.000 0.851 25 G HN 0.284 nan 8.290 nan 0.000 0.500 26 L N -0.589 120.644 121.223 0.016 0.000 2.456 26 L HA 0.545 4.885 4.340 0.001 0.000 0.272 26 L C 1.059 177.910 176.870 -0.031 0.000 1.189 26 L CA -0.120 54.702 54.840 -0.029 0.000 0.846 26 L CB 0.619 42.656 42.059 -0.037 0.000 1.111 26 L HN 0.201 nan 8.230 nan 0.000 0.475 27 L N 1.954 123.144 121.223 -0.054 0.000 2.283 27 L HA 0.463 4.804 4.340 0.001 0.000 0.259 27 L C -0.001 176.897 176.870 0.046 0.000 1.027 27 L CA -0.978 53.850 54.840 -0.019 0.000 0.828 27 L CB 1.839 43.816 42.059 -0.136 0.000 1.380 27 L HN 0.603 nan 8.230 nan 0.000 0.425 28 E N 0.326 120.602 120.200 0.127 0.000 2.410 28 E HA 0.236 4.587 4.350 0.001 0.000 0.255 28 E C -2.495 174.227 176.600 0.203 0.000 1.194 28 E CA -1.749 54.723 56.400 0.119 0.000 0.955 28 E CB -0.289 29.463 29.700 0.086 0.000 0.988 28 E HN 0.210 nan 8.360 nan 0.000 0.461 29 P HA -0.013 nan 4.420 nan 0.000 0.263 29 P C -1.206 176.164 177.300 0.116 0.000 1.175 29 P CA 0.827 63.988 63.100 0.101 0.000 0.761 29 P CB 0.318 32.043 31.700 0.041 0.000 0.794 30 H N 0.286 119.332 119.070 -0.041 0.000 2.908 30 H HA 0.767 5.324 4.556 0.001 0.000 0.350 30 H C -0.685 174.600 175.328 -0.071 0.000 1.217 30 H CA -0.747 55.268 56.048 -0.054 0.000 1.168 30 H CB 1.569 31.287 29.762 -0.072 0.000 1.891 30 H HN 0.342 nan 8.280 nan 0.000 0.566 31 A N 1.414 124.255 122.820 0.036 0.000 2.318 31 A HA 0.536 4.856 4.320 0.001 0.000 0.317 31 A C -1.298 176.258 177.584 -0.046 0.000 1.159 31 A CA -0.586 51.417 52.037 -0.056 0.000 0.799 31 A CB 0.422 19.348 19.000 -0.123 0.000 1.194 31 A HN 0.571 nan 8.150 nan 0.000 0.479 32 L N 3.383 124.567 121.223 -0.066 0.000 2.298 32 L HA 0.716 5.057 4.340 0.001 0.000 0.284 32 L C 0.311 177.178 176.870 -0.005 0.000 1.013 32 L CA -0.348 54.433 54.840 -0.098 0.000 0.824 32 L CB 1.250 43.124 42.059 -0.308 0.000 1.221 32 L HN 0.779 nan 8.230 nan 0.000 0.418 33 G N 4.210 113.000 108.800 -0.017 0.000 2.388 33 G HA2 0.563 4.524 3.960 0.001 0.000 0.330 33 G HA3 0.563 4.524 3.960 0.001 0.000 0.330 33 G C -0.999 174.004 174.900 0.172 0.000 1.142 33 G CA -0.423 44.693 45.100 0.026 0.000 0.908 33 G HN 0.577 nan 8.290 nan 0.000 0.473 34 V N 0.051 120.120 119.914 0.258 0.000 2.864 34 V HA 0.884 5.005 4.120 0.001 0.000 0.314 34 V C -1.088 175.168 176.094 0.270 0.000 1.073 34 V CA -1.191 61.287 62.300 0.296 0.000 0.956 34 V CB 1.844 33.892 31.823 0.374 0.000 1.023 34 V HN 0.938 nan 8.190 nan 0.000 0.435 35 H N 1.612 120.740 119.070 0.098 0.000 3.017 35 H HA 0.431 4.987 4.556 0.001 0.000 0.340 35 H C -0.257 175.080 175.328 0.015 0.000 1.014 35 H CA 0.162 56.195 56.048 -0.025 0.000 1.341 35 H CB 1.416 30.986 29.762 -0.319 0.000 1.739 35 H HN 1.017 nan 8.280 nan 0.000 0.506 36 E N 3.611 123.576 120.200 -0.392 0.000 2.252 36 E HA -0.241 4.110 4.350 0.001 0.000 0.218 36 E C 0.835 177.377 176.600 -0.097 0.000 1.253 36 E CA 0.855 57.079 56.400 -0.293 0.000 0.705 36 E CB -1.410 28.038 29.700 -0.420 0.000 1.172 36 E HN 1.185 nan 8.360 nan 0.000 0.369 37 G N -0.015 108.769 108.800 -0.027 0.000 2.189 37 G HA2 -0.385 3.575 3.960 0.001 0.000 0.267 37 G HA3 -0.385 3.575 3.960 0.001 0.000 0.267 37 G C 0.244 175.167 174.900 0.040 0.000 0.975 37 G CA 0.889 45.994 45.100 0.008 0.000 0.644 37 G HN 0.355 nan 8.290 nan 0.000 0.537 38 R N -0.818 119.726 120.500 0.072 0.000 2.803 38 R HA 0.618 4.959 4.340 0.001 0.000 0.276 38 R C 0.281 176.675 176.300 0.158 0.000 0.978 38 R CA -1.178 54.984 56.100 0.103 0.000 0.939 38 R CB 1.411 31.771 30.300 0.100 0.000 1.179 38 R HN 0.173 nan 8.270 nan 0.000 0.472 39 I N 2.601 123.248 120.570 0.128 0.000 2.578 39 I HA -0.076 4.094 4.170 0.001 0.000 0.286 39 I C 1.150 177.350 176.117 0.140 0.000 1.126 39 I CA 0.430 61.797 61.300 0.112 0.000 1.380 39 I CB 0.261 38.279 38.000 0.030 0.000 1.408 39 I HN 0.661 nan 8.210 nan 0.000 0.532 40 H N 5.584 124.699 119.070 0.073 0.000 2.520 40 H HA 0.452 5.009 4.556 0.001 0.000 0.279 40 H C 0.156 175.503 175.328 0.032 0.000 0.990 40 H CA 0.720 56.812 56.048 0.073 0.000 1.288 40 H CB 0.576 30.407 29.762 0.115 0.000 1.446 40 H HN 0.699 nan 8.280 nan 0.000 0.538 41 A N -0.035 122.787 122.820 0.003 0.000 2.594 41 A HA 0.469 4.789 4.320 0.001 0.000 0.296 41 A C -1.934 175.635 177.584 -0.025 0.000 1.056 41 A CA -0.683 51.323 52.037 -0.052 0.000 0.693 41 A CB 0.693 19.671 19.000 -0.037 0.000 1.278 41 A HN 0.174 nan 8.150 nan 0.000 0.408 42 L N 2.388 123.606 121.223 -0.008 0.000 2.415 42 L HA 0.594 4.934 4.340 0.001 0.000 0.268 42 L C -1.298 175.675 176.870 0.173 0.000 0.984 42 L CA -0.668 54.203 54.840 0.053 0.000 0.853 42 L CB 1.716 43.763 42.059 -0.020 0.000 1.215 42 L HN 0.558 nan 8.230 nan 0.000 0.419 43 V N 4.945 124.946 119.914 0.144 0.000 2.540 43 V HA 0.484 4.605 4.120 0.001 0.000 0.302 43 V C -2.137 173.781 176.094 -0.294 0.000 1.035 43 V CA -1.839 60.461 62.300 -0.000 0.000 0.873 43 V CB 1.951 33.762 31.823 -0.019 0.000 0.992 43 V HN 0.507 nan 8.190 nan 0.000 0.428 47 D N 1.098 121.482 120.400 -0.027 0.000 2.339 47 D HA 0.300 4.940 4.640 0.001 0.000 0.217 47 D C 0.011 176.332 176.300 0.034 0.000 1.050 47 D CA 0.444 54.441 54.000 -0.006 0.000 0.856 47 D CB 0.724 41.509 40.800 -0.025 0.000 0.922 47 D HN 0.306 nan 8.370 nan 0.000 0.518 48 L N 0.385 121.645 121.223 0.063 0.000 2.341 48 L HA 0.558 4.899 4.340 0.001 0.000 0.267 48 L C 0.105 177.080 176.870 0.176 0.000 1.009 48 L CA -0.830 54.100 54.840 0.150 0.000 0.819 48 L CB 2.246 44.426 42.059 0.201 0.000 1.323 48 L HN -0.181 nan 8.230 nan 0.000 0.425 53 P HA -0.362 nan 4.420 nan 0.000 0.255 53 P C 0.766 177.910 177.300 -0.259 0.000 0.776 53 P CA 3.721 66.440 63.100 -0.635 0.000 1.093 53 P CB -0.152 30.825 31.700 -1.205 0.000 0.807 54 A N -4.977 117.730 122.820 -0.188 0.000 2.406 54 A HA -0.052 4.268 4.320 0.001 0.000 0.216 54 A C 1.225 178.856 177.584 0.079 0.000 2.848 54 A CA 0.485 52.521 52.037 -0.002 0.000 1.539 54 A CB -1.365 17.649 19.000 0.023 0.000 0.422 54 A HN 0.644 nan 8.150 nan 0.000 0.522 55 H N -2.105 117.003 119.070 0.062 0.000 2.551 55 H HA 0.207 4.763 4.556 0.001 0.000 0.271 55 H C -0.477 174.973 175.328 0.204 0.000 0.984 55 H CA -0.457 55.654 56.048 0.105 0.000 1.164 55 H CB -0.315 29.503 29.762 0.094 0.000 1.437 55 H HN 0.461 nan 8.280 nan 0.000 0.550 56 W N 3.565 124.539 121.300 -0.543 0.000 2.437 56 W HA 0.296 4.956 4.660 0.001 0.000 0.312 56 W C 0.151 176.478 176.519 -0.320 0.000 1.242 56 W CA -0.834 56.209 57.345 -0.503 0.000 1.340 56 W CB 0.333 29.547 29.460 -0.410 0.000 1.327 56 W HN 0.170 nan 8.180 nan 0.000 0.476 57 Q N 2.363 122.014 119.800 -0.249 0.000 2.296 57 Q HA 0.063 4.403 4.340 0.001 0.000 0.262 57 Q C 0.114 176.066 176.000 -0.080 0.000 0.981 57 Q CA -0.152 55.545 55.803 -0.177 0.000 0.905 57 Q CB 1.221 29.780 28.738 -0.298 0.000 1.186 57 Q HN 0.307 nan 8.270 nan 0.000 0.399 61 G N 1.356 110.185 108.800 0.049 0.000 2.179 61 G HA2 -0.339 3.622 3.960 0.001 0.000 0.260 61 G HA3 -0.339 3.622 3.960 0.001 0.000 0.260 61 G C 0.001 174.926 174.900 0.042 0.000 0.977 61 G CA 0.313 45.438 45.100 0.042 0.000 0.641 61 G HN 0.264 nan 8.290 nan 0.000 0.533 62 K N -0.009 120.424 120.400 0.055 0.000 2.414 62 K HA 0.397 4.718 4.320 0.001 0.000 0.272 62 K C 0.674 177.310 176.600 0.061 0.000 0.993 62 K CA -0.586 55.741 56.287 0.066 0.000 0.964 62 K CB 0.897 33.447 32.500 0.084 0.000 0.925 62 K HN 0.276 nan 8.250 nan 0.000 0.487 63 L N 3.028 124.294 121.223 0.071 0.000 2.490 63 L HA 0.122 4.462 4.340 0.001 0.000 0.274 63 L C -0.667 176.282 176.870 0.132 0.000 1.201 63 L CA 0.337 55.214 54.840 0.061 0.000 0.869 63 L CB 0.903 42.978 42.059 0.027 0.000 1.123 63 L HN 0.377 nan 8.230 nan 0.000 0.484 64 V N 5.463 125.415 119.914 0.064 0.000 2.709 64 V HA 0.843 4.963 4.120 0.001 0.000 0.308 64 V C -0.301 175.832 176.094 0.065 0.000 1.062 64 V CA 0.505 62.841 62.300 0.061 0.000 0.901 64 V CB 2.244 34.005 31.823 -0.103 0.000 1.003 64 V HN 1.152 nan 8.190 nan 0.000 0.425 65 T N 4.819 119.473 114.554 0.166 0.000 2.865 65 T HA 0.723 5.073 4.350 0.001 0.000 0.294 65 T C -3.141 171.646 174.700 0.145 0.000 1.119 65 T CA -2.116 60.070 62.100 0.143 0.000 1.007 65 T CB 2.177 71.182 68.868 0.227 0.000 1.225 65 T HN 0.530 nan 8.240 nan 0.000 0.515 66 P HA 0.308 nan 4.420 nan 0.000 0.272 66 P C 0.563 177.921 177.300 0.096 0.000 1.240 66 P CA 0.001 63.156 63.100 0.092 0.000 0.791 66 P CB 0.057 31.784 31.700 0.046 0.000 0.978 67 G N 1.274 110.101 108.800 0.046 0.000 2.554 67 G HA2 0.278 4.239 3.960 0.001 0.000 0.238 67 G HA3 0.278 4.239 3.960 0.001 0.000 0.238 67 G C 0.070 174.999 174.900 0.048 0.000 1.259 67 G CA -0.561 44.549 45.100 0.016 0.000 0.843 67 G HN 0.389 nan 8.290 nan 0.000 0.582 68 L N 0.575 121.839 121.223 0.068 0.000 2.436 68 L HA 0.445 4.786 4.340 0.001 0.000 0.265 68 L C 0.150 177.043 176.870 0.039 0.000 1.168 68 L CA -0.209 54.675 54.840 0.073 0.000 0.815 68 L CB 0.903 43.029 42.059 0.111 0.000 1.109 68 L HN 0.299 nan 8.230 nan 0.000 0.462 69 I N 1.782 122.373 120.570 0.036 0.000 2.478 69 I HA 0.208 4.379 4.170 0.001 0.000 0.287 69 I C -1.142 174.995 176.117 0.033 0.000 1.042 69 I CA -0.591 60.725 61.300 0.026 0.000 1.067 69 I CB 2.158 40.170 38.000 0.021 0.000 1.233 69 I HN 0.567 nan 8.210 nan 0.000 0.431 70 D N 5.951 126.371 120.400 0.033 0.000 2.454 70 D HA 0.134 4.775 4.640 0.001 0.000 0.247 70 D C 0.666 176.994 176.300 0.046 0.000 1.129 70 D CA -0.726 53.300 54.000 0.044 0.000 0.877 70 D CB 1.418 42.246 40.800 0.048 0.000 1.082 70 D HN 0.663 nan 8.370 nan 0.000 0.537 71 C N 1.990 121.321 119.300 0.052 0.000 2.507 71 C HA 0.306 4.767 4.460 0.001 0.000 0.301 71 C C 0.589 175.625 174.990 0.076 0.000 1.351 71 C CA -0.661 58.385 59.018 0.046 0.000 1.650 71 C CB -2.415 25.350 27.740 0.042 0.000 1.676 71 C HN 0.739 nan 8.230 nan 0.000 0.594 72 H N 0.510 119.561 119.070 -0.031 0.000 2.809 72 H HA 0.399 4.956 4.556 0.001 0.000 0.268 72 H C -0.355 174.968 175.328 -0.008 0.000 1.403 72 H CA 0.579 56.595 56.048 -0.053 0.000 1.564 72 H CB 0.254 29.967 29.762 -0.081 0.000 1.834 72 H HN 0.480 nan 8.280 nan 0.000 0.613 73 T N 0.338 114.893 114.554 0.002 0.000 2.906 73 T HA 0.329 4.680 4.350 0.001 0.000 0.295 73 T C -0.554 174.129 174.700 -0.027 0.000 1.075 73 T CA -0.898 61.274 62.100 0.121 0.000 1.005 73 T CB 1.783 70.727 68.868 0.127 0.000 1.136 73 T HN 0.561 nan 8.240 nan 0.000 0.498 74 H N 2.184 121.361 119.070 0.178 0.000 2.591 74 H HA 0.294 4.851 4.556 0.001 0.000 0.241 74 H C 1.013 176.595 175.328 0.423 0.000 1.292 74 H CA -0.540 55.661 56.048 0.254 0.000 1.022 74 H CB 0.060 30.016 29.762 0.323 0.000 1.875 74 H HN 0.519 nan 8.280 nan 0.000 0.570 75 L N -1.990 119.463 121.223 0.384 0.000 2.622 75 L HA 0.224 4.565 4.340 0.001 0.000 0.233 75 L C 0.149 177.135 176.870 0.193 0.000 1.156 75 L CA 1.093 56.141 54.840 0.345 0.000 0.866 75 L CB -0.380 41.775 42.059 0.160 0.000 0.980 75 L HN 0.154 nan 8.230 nan 0.000 0.448 76 I N 2.089 122.823 120.570 0.274 0.000 2.321 76 I HA 0.503 4.673 4.170 0.001 0.000 0.291 76 I C -0.690 175.620 176.117 0.322 0.000 0.998 76 I CA -0.540 60.835 61.300 0.125 0.000 1.227 76 I CB 0.706 38.792 38.000 0.144 0.000 1.368 76 I HN 0.216 nan 8.210 nan 0.000 0.466 77 F N 4.575 124.584 119.950 0.098 0.000 2.890 77 F HA 0.767 5.294 4.527 0.001 0.000 0.326 77 F C -1.204 174.581 175.800 -0.026 0.000 1.143 77 F CA -1.129 56.884 58.000 0.022 0.000 0.906 77 F CB 0.319 39.232 39.000 -0.145 0.000 1.303 77 F HN 0.400 nan 8.300 nan 0.000 0.447 78 A N 0.929 123.858 122.820 0.182 0.000 2.389 78 A HA 1.030 5.351 4.320 0.001 0.000 0.293 78 A C 0.363 178.050 177.584 0.171 0.000 1.186 78 A CA -0.616 51.480 52.037 0.098 0.000 0.828 78 A CB 0.650 19.678 19.000 0.046 0.000 1.369 78 A HN 2.930 nan 8.150 nan 0.000 0.446 79 G N -1.154 107.707 108.800 0.101 0.000 2.796 79 G HA2 0.353 4.313 3.960 0.001 0.000 0.571 79 G HA3 0.353 4.313 3.960 0.001 0.000 0.571 79 G C -0.120 174.840 174.900 0.100 0.000 1.370 79 G CA 0.236 45.380 45.100 0.074 0.000 0.856 79 G HN 2.149 nan 8.290 nan 0.000 0.538 80 S N -1.298 114.432 115.700 0.050 0.000 2.546 80 S HA 0.701 5.171 4.470 0.001 0.000 0.272 80 S C 0.535 175.146 174.600 0.017 0.000 1.140 80 S CA -0.281 57.944 58.200 0.043 0.000 0.920 80 S CB 1.589 64.821 63.200 0.054 0.000 1.083 80 S HN 0.816 nan 8.310 nan 0.000 0.476 81 R N 2.314 122.813 120.500 -0.001 0.000 2.468 81 R HA 0.320 4.660 4.340 0.001 0.000 0.280 81 R C 1.816 178.173 176.300 0.096 0.000 0.963 81 R CA 0.513 56.630 56.100 0.027 0.000 1.083 81 R CB 0.121 30.416 30.300 -0.009 0.000 1.200 81 R HN 0.636 nan 8.270 nan 0.000 0.541 82 A N 1.752 124.626 122.820 0.090 0.000 1.883 82 A HA -0.225 4.096 4.320 0.001 0.000 0.217 82 A C 1.797 179.498 177.584 0.194 0.000 1.186 82 A CA 1.427 53.558 52.037 0.156 0.000 0.624 82 A CB -0.177 18.888 19.000 0.108 0.000 0.822 82 A HN 0.315 nan 8.150 nan 0.000 0.444 83 E N -0.798 119.473 120.200 0.118 0.000 2.077 83 E HA -0.222 4.128 4.350 0.001 0.000 0.193 83 E C 2.093 178.747 176.600 0.090 0.000 0.989 83 E CA 1.159 57.612 56.400 0.089 0.000 0.800 83 E CB -0.172 29.562 29.700 0.056 0.000 0.746 83 E HN 0.820 nan 8.360 nan 0.000 0.452 84 E N 0.402 120.665 120.200 0.106 0.000 2.051 84 E HA -0.223 4.128 4.350 0.001 0.000 0.192 84 E C 1.908 178.590 176.600 0.136 0.000 0.991 84 E CA 0.890 57.352 56.400 0.104 0.000 0.799 84 E CB -0.136 29.629 29.700 0.108 0.000 0.748 84 E HN 0.182 nan 8.360 nan 0.000 0.449 85 F N 2.038 122.006 119.950 0.029 0.000 2.126 85 F HA -0.180 4.347 4.527 0.001 0.000 0.299 85 F C 2.212 178.016 175.800 0.008 0.000 1.096 85 F CA 2.131 60.144 58.000 0.022 0.000 1.255 85 F CB -0.383 38.660 39.000 0.070 0.000 0.997 85 F HN 0.080 nan 8.300 nan 0.000 0.479 86 E N 0.271 120.444 120.200 -0.045 0.000 2.077 86 E HA -0.212 4.139 4.350 0.001 0.000 0.193 86 E C 2.315 178.821 176.600 -0.157 0.000 0.989 86 E CA 1.603 57.913 56.400 -0.150 0.000 0.800 86 E CB -0.349 29.347 29.700 -0.006 0.000 0.746 86 E HN 0.542 nan 8.360 nan 0.000 0.452 87 L N 0.188 121.365 121.223 -0.077 0.000 2.042 87 L HA -0.191 4.150 4.340 0.001 0.000 0.210 87 L C 2.811 179.624 176.870 -0.095 0.000 1.076 87 L CA 1.365 56.169 54.840 -0.060 0.000 0.749 87 L CB -0.382 41.668 42.059 -0.015 0.000 0.893 87 L HN 0.135 nan 8.230 nan 0.000 0.432 88 R N -0.590 119.833 120.500 -0.128 0.000 2.073 88 R HA -0.149 4.191 4.340 0.001 0.000 0.234 88 R C 2.348 178.507 176.300 -0.236 0.000 1.134 88 R CA 1.058 57.068 56.100 -0.150 0.000 0.952 88 R CB -0.230 29.980 30.300 -0.150 0.000 0.850 88 R HN 0.376 nan 8.270 nan 0.000 0.433 89 Q N 0.737 120.297 119.800 -0.399 0.000 2.226 89 Q HA -0.136 4.204 4.340 0.001 0.000 0.204 89 Q C 1.616 177.491 176.000 -0.208 0.000 0.975 89 Q CA 1.348 56.926 55.803 -0.374 0.000 0.866 89 Q CB 0.004 28.426 28.738 -0.527 0.000 0.915 89 Q HN 0.340 nan 8.270 nan 0.000 0.440 90 K N -0.964 119.337 120.400 -0.166 0.000 2.432 90 K HA 0.030 4.351 4.320 0.001 0.000 0.196 90 K C 0.973 177.526 176.600 -0.079 0.000 1.038 90 K CA 0.631 56.857 56.287 -0.102 0.000 0.986 90 K CB 0.343 32.796 32.500 -0.079 0.000 0.782 90 K HN 0.356 nan 8.250 nan 0.000 0.485 91 G N 0.678 109.428 108.800 -0.083 0.000 2.168 91 G HA2 -0.193 3.768 3.960 0.001 0.000 0.197 91 G HA3 -0.193 3.768 3.960 0.001 0.000 0.197 91 G C -0.015 174.862 174.900 -0.038 0.000 0.997 91 G CA -0.324 44.742 45.100 -0.058 0.000 0.658 91 G HN 0.063 nan 8.290 nan 0.000 0.513 92 V N 3.659 123.551 119.914 -0.037 0.000 2.479 92 V HA 0.328 4.448 4.120 0.001 0.000 0.281 92 V C -0.879 175.217 176.094 0.002 0.000 1.031 92 V CA -0.847 61.442 62.300 -0.019 0.000 1.038 92 V CB 0.865 32.677 31.823 -0.017 0.000 0.981 92 V HN 0.320 nan 8.190 nan 0.000 0.478 93 P HA -0.100 nan 4.420 nan 0.000 0.264 93 P C 0.321 177.661 177.300 0.067 0.000 1.183 93 P CA 0.116 63.235 63.100 0.031 0.000 0.763 93 P CB 0.547 32.251 31.700 0.008 0.000 0.807 94 Y N 4.679 124.961 120.300 -0.030 0.000 2.193 94 Y HA -0.274 4.276 4.550 0.001 0.000 0.285 94 Y C 2.416 178.304 175.900 -0.020 0.000 1.166 94 Y CA 2.122 60.208 58.100 -0.024 0.000 1.181 94 Y CB -1.208 37.239 38.460 -0.022 0.000 0.976 94 Y HN 0.488 nan 8.280 nan 0.000 0.520 95 A N -0.038 122.664 122.820 -0.196 0.000 1.908 95 A HA -0.257 4.064 4.320 0.001 0.000 0.218 95 A C 2.177 179.631 177.584 -0.217 0.000 1.181 95 A CA 2.040 53.913 52.037 -0.273 0.000 0.627 95 A CB -0.857 18.068 19.000 -0.125 0.000 0.818 95 A HN 0.530 nan 8.150 nan 0.000 0.445 96 E N 0.351 120.478 120.200 -0.122 0.000 2.051 96 E HA -0.138 4.213 4.350 0.001 0.000 0.192 96 E C 1.706 178.250 176.600 -0.093 0.000 0.991 96 E CA 1.539 57.887 56.400 -0.086 0.000 0.799 96 E CB -0.451 29.221 29.700 -0.047 0.000 0.748 96 E HN 0.632 nan 8.360 nan 0.000 0.449 97 I N 0.559 121.081 120.570 -0.080 0.000 2.208 97 I HA -0.312 3.858 4.170 0.001 0.000 0.245 97 I C 2.417 178.475 176.117 -0.099 0.000 1.097 97 I CA 1.176 62.451 61.300 -0.043 0.000 1.363 97 I CB -0.508 37.528 38.000 0.060 0.000 1.051 97 I HN 0.213 nan 8.210 nan 0.000 0.413 98 A N 1.890 124.555 122.820 -0.258 0.000 1.877 98 A HA -0.233 4.087 4.320 0.001 0.000 0.216 98 A C 2.389 179.877 177.584 -0.159 0.000 1.186 98 A CA 1.990 53.861 52.037 -0.277 0.000 0.620 98 A CB -0.751 17.921 19.000 -0.546 0.000 0.822 98 A HN 0.544 nan 8.150 nan 0.000 0.443 99 R N -1.189 119.221 120.500 -0.149 0.000 2.193 99 R HA -0.047 4.294 4.340 0.001 0.000 0.229 99 R C 0.865 177.125 176.300 -0.067 0.000 1.110 99 R CA 1.421 57.463 56.100 -0.097 0.000 0.988 99 R CB -0.203 30.045 30.300 -0.086 0.000 0.871 99 R HN 0.131 nan 8.270 nan 0.000 0.458 100 K N 0.101 120.464 120.400 -0.060 0.000 2.404 100 K HA 0.140 4.460 4.320 0.001 0.000 0.194 100 K C 0.814 177.397 176.600 -0.029 0.000 1.023 100 K CA 0.692 56.956 56.287 -0.038 0.000 1.094 100 K CB 1.049 33.532 32.500 -0.029 0.000 0.841 100 K HN 0.561 nan 8.250 nan 0.000 0.523 101 G N 0.398 109.176 108.800 -0.036 0.000 2.192 101 G HA2 -0.182 3.779 3.960 0.001 0.000 0.193 101 G HA3 -0.182 3.779 3.960 0.001 0.000 0.193 101 G C 0.509 175.403 174.900 -0.010 0.000 0.999 101 G CA -0.274 44.812 45.100 -0.024 0.000 0.659 101 G HN 0.476 nan 8.290 nan 0.000 0.503 102 G N -0.339 108.459 108.800 -0.004 0.000 2.636 102 G HA2 0.734 4.695 3.960 0.001 0.000 0.246 102 G HA3 0.734 4.695 3.960 0.001 0.000 0.246 102 G C 0.887 175.825 174.900 0.062 0.000 1.216 102 G CA 1.248 46.371 45.100 0.038 0.000 0.854 102 G HN 1.956 nan 8.290 nan 0.000 0.572 103 G N -0.470 108.384 108.800 0.090 0.000 2.498 103 G HA2 -0.107 3.853 3.960 0.001 0.000 0.651 103 G HA3 -0.107 3.853 3.960 0.001 0.000 0.651 103 G C 0.917 175.826 174.900 0.016 0.000 1.284 103 G CA 0.005 45.158 45.100 0.090 0.000 0.950 103 G HN 1.267 nan 8.290 nan 0.000 0.511 104 I N -0.153 120.414 120.570 -0.005 0.000 2.335 104 I HA -0.136 4.035 4.170 0.001 0.000 0.251 104 I C 2.595 178.701 176.117 -0.019 0.000 1.129 104 I CA 2.155 63.433 61.300 -0.036 0.000 1.402 104 I CB -0.142 37.809 38.000 -0.082 0.000 1.069 104 I HN 0.609 nan 8.210 nan 0.000 0.424 105 I N 0.219 120.782 120.570 -0.012 0.000 2.335 105 I HA -0.310 3.860 4.170 0.001 0.000 0.251 105 I C 2.613 178.725 176.117 -0.009 0.000 1.129 105 I CA 1.919 63.213 61.300 -0.009 0.000 1.402 105 I CB -0.554 37.436 38.000 -0.017 0.000 1.069 105 I HN 0.328 nan 8.210 nan 0.000 0.424 106 S N -0.842 114.849 115.700 -0.015 0.000 2.370 106 S HA -0.215 4.256 4.470 0.001 0.000 0.226 106 S C 2.069 176.648 174.600 -0.036 0.000 1.033 106 S CA 2.263 60.452 58.200 -0.018 0.000 1.011 106 S CB -0.654 62.538 63.200 -0.013 0.000 0.852 106 S HN 0.609 nan 8.310 nan 0.000 0.457 107 T N 1.451 115.957 114.554 -0.081 0.000 2.857 107 T HA 0.014 4.364 4.350 0.001 0.000 0.266 107 T C 1.818 176.479 174.700 -0.066 0.000 1.048 107 T CA 1.277 63.283 62.100 -0.158 0.000 1.139 107 T CB -0.340 68.276 68.868 -0.419 0.000 0.874 107 T HN 0.276 nan 8.240 nan 0.000 0.455 108 V N 1.530 121.455 119.914 0.017 0.000 2.343 108 V HA -0.157 3.964 4.120 0.001 0.000 0.247 108 V C 2.596 178.725 176.094 0.059 0.000 1.051 108 V CA 1.588 63.943 62.300 0.092 0.000 1.036 108 V CB -0.513 31.361 31.823 0.085 0.000 0.654 108 V HN 0.387 nan 8.190 nan 0.000 0.451 109 R N 0.052 120.568 120.500 0.027 0.000 2.075 109 R HA -0.080 4.260 4.340 0.001 0.000 0.232 109 R C 2.456 178.773 176.300 0.029 0.000 1.126 109 R CA 1.413 57.527 56.100 0.023 0.000 0.963 109 R CB -0.575 29.730 30.300 0.009 0.000 0.858 109 R HN 0.531 nan 8.270 nan 0.000 0.435 110 A N 0.537 123.371 122.820 0.023 0.000 1.877 110 A HA -0.143 4.177 4.320 0.001 0.000 0.216 110 A C 2.176 179.789 177.584 0.048 0.000 1.186 110 A CA 1.925 53.980 52.037 0.030 0.000 0.620 110 A CB -0.811 18.204 19.000 0.026 0.000 0.822 110 A HN 0.269 nan 8.150 nan 0.000 0.443 111 T N -0.402 114.191 114.554 0.066 0.000 2.821 111 T HA -0.116 4.235 4.350 0.001 0.000 0.267 111 T C 2.054 176.811 174.700 0.094 0.000 1.046 111 T CA 1.465 63.626 62.100 0.101 0.000 1.139 111 T CB -0.221 68.748 68.868 0.168 0.000 0.871 111 T HN 0.486 nan 8.240 nan 0.000 0.454 112 R N 0.968 121.519 120.500 0.085 0.000 2.073 112 R HA 0.034 4.375 4.340 0.001 0.000 0.234 112 R C 2.811 179.144 176.300 0.056 0.000 1.134 112 R CA 1.347 57.491 56.100 0.073 0.000 0.952 112 R CB -0.452 29.884 30.300 0.061 0.000 0.850 112 R HN 0.363 nan 8.270 nan 0.000 0.433 113 A N 1.223 124.071 122.820 0.046 0.000 2.015 113 A HA 0.101 4.422 4.320 0.001 0.000 0.219 113 A C 1.159 178.765 177.584 0.036 0.000 1.163 113 A CA 0.943 53.001 52.037 0.036 0.000 0.646 113 A CB -0.267 18.750 19.000 0.028 0.000 0.806 113 A HN 0.368 nan 8.150 nan 0.000 0.448 114 A N 0.665 123.510 122.820 0.042 0.000 2.425 114 A HA 0.502 4.822 4.320 0.001 0.000 0.249 114 A C 0.852 178.461 177.584 0.043 0.000 1.084 114 A CA 0.274 52.334 52.037 0.039 0.000 0.781 114 A CB -0.065 18.959 19.000 0.039 0.000 1.019 114 A HN 0.984 nan 8.150 nan 0.000 0.490 115 S N 0.871 116.593 115.700 0.038 0.000 2.632 115 S HA 0.183 4.653 4.470 0.001 0.000 0.267 115 S C 0.898 175.527 174.600 0.048 0.000 1.276 115 S CA 0.334 58.557 58.200 0.038 0.000 0.998 115 S CB 1.021 64.240 63.200 0.031 0.000 0.953 115 S HN 0.816 nan 8.310 nan 0.000 0.547 116 E N 0.691 120.917 120.200 0.044 0.000 2.085 116 E HA -0.239 4.112 4.350 0.001 0.000 0.194 116 E C 0.944 177.588 176.600 0.074 0.000 0.994 116 E CA 1.833 58.264 56.400 0.051 0.000 0.801 116 E CB -0.198 29.517 29.700 0.025 0.000 0.743 116 E HN 0.754 nan 8.360 nan 0.000 0.453 117 D N 0.144 120.578 120.400 0.056 0.000 2.144 117 D HA -0.167 4.474 4.640 0.001 0.000 0.199 117 D C 2.002 178.384 176.300 0.137 0.000 0.984 117 D CA 0.979 55.032 54.000 0.088 0.000 0.834 117 D CB -0.189 40.640 40.800 0.048 0.000 0.955 117 D HN 0.357 nan 8.370 nan 0.000 0.465 118 Q N 0.043 119.892 119.800 0.081 0.000 2.046 118 Q HA -0.040 4.300 4.340 0.001 0.000 0.200 118 Q C 2.563 178.587 176.000 0.040 0.000 0.975 118 Q CA 0.648 56.483 55.803 0.054 0.000 0.836 118 Q CB -0.058 28.699 28.738 0.031 0.000 0.896 118 Q HN 0.297 nan 8.270 nan 0.000 0.428 119 L N -0.262 120.993 121.223 0.054 0.000 2.083 119 L HA -0.192 4.149 4.340 0.001 0.000 0.209 119 L C 2.326 179.216 176.870 0.033 0.000 1.083 119 L CA 1.009 55.863 54.840 0.023 0.000 0.752 119 L CB -0.451 41.642 42.059 0.057 0.000 0.899 119 L HN 0.226 nan 8.230 nan 0.000 0.433 120 F N 1.203 121.130 119.950 -0.038 0.000 2.075 120 F HA -0.218 4.309 4.527 0.001 0.000 0.297 120 F C 2.591 178.363 175.800 -0.048 0.000 1.113 120 F CA 1.640 59.617 58.000 -0.037 0.000 1.218 120 F CB -0.160 38.827 39.000 -0.023 0.000 0.984 120 F HN 0.001 nan 8.300 nan 0.000 0.472 121 E N 0.687 120.854 120.200 -0.054 0.000 2.118 121 E HA -0.192 4.158 4.350 0.001 0.000 0.195 121 E C 2.424 178.904 176.600 -0.201 0.000 0.992 121 E CA 1.384 57.690 56.400 -0.157 0.000 0.804 121 E CB -0.695 29.002 29.700 -0.005 0.000 0.741 121 E HN 0.486 nan 8.360 nan 0.000 0.458 122 L N 0.086 121.211 121.223 -0.164 0.000 2.156 122 L HA -0.074 4.267 4.340 0.001 0.000 0.208 122 L C 2.353 179.064 176.870 -0.266 0.000 1.095 122 L CA 0.940 55.659 54.840 -0.200 0.000 0.770 122 L CB -0.279 41.654 42.059 -0.210 0.000 0.914 122 L HN 0.041 nan 8.230 nan 0.000 0.439 123 A N -0.400 122.252 122.820 -0.280 0.000 2.021 123 A HA -0.023 4.298 4.320 0.001 0.000 0.216 123 A C 2.203 179.624 177.584 -0.271 0.000 1.163 123 A CA 0.500 52.377 52.037 -0.267 0.000 0.676 123 A CB -0.347 18.534 19.000 -0.199 0.000 0.818 123 A HN 0.275 nan 8.150 nan 0.000 0.453 124 L N 0.309 121.302 121.223 -0.383 0.000 1.978 124 L HA -0.172 4.168 4.340 0.001 0.000 0.218 124 L C -0.174 176.572 176.870 -0.207 0.000 1.075 124 L CA 2.227 56.851 54.840 -0.359 0.000 0.767 124 L CB -1.390 40.407 42.059 -0.438 0.000 0.890 124 L HN 0.307 nan 8.230 nan 0.000 0.434 125 P HA -0.163 nan 4.420 nan 0.000 0.220 125 P C 1.282 178.526 177.300 -0.093 0.000 1.148 125 P CA 1.453 64.484 63.100 -0.114 0.000 0.803 125 P CB -0.104 31.536 31.700 -0.100 0.000 0.782 126 R N -0.174 120.262 120.500 -0.106 0.000 2.066 126 R HA -0.035 4.306 4.340 0.001 0.000 0.232 126 R C 2.425 178.695 176.300 -0.051 0.000 1.131 126 R CA 1.201 57.261 56.100 -0.068 0.000 0.955 126 R CB -1.156 29.099 30.300 -0.076 0.000 0.851 126 R HN 0.071 nan 8.270 nan 0.000 0.432 127 V N 1.665 121.536 119.914 -0.071 0.000 2.407 127 V HA -0.232 3.889 4.120 0.001 0.000 0.248 127 V C 2.038 178.100 176.094 -0.053 0.000 1.055 127 V CA 1.669 63.936 62.300 -0.055 0.000 1.049 127 V CB -0.438 31.344 31.823 -0.068 0.000 0.662 127 V HN 0.290 nan 8.190 nan 0.000 0.455 128 K N 0.150 120.509 120.400 -0.067 0.000 2.147 128 K HA -0.137 4.184 4.320 0.001 0.000 0.205 128 K C 2.420 178.992 176.600 -0.047 0.000 1.049 128 K CA 1.614 57.865 56.287 -0.061 0.000 0.936 128 K CB -0.267 32.193 32.500 -0.067 0.000 0.722 128 K HN 0.388 nan 8.250 nan 0.000 0.446 129 S N 1.296 116.973 115.700 -0.037 0.000 2.383 129 S HA -0.044 4.427 4.470 0.001 0.000 0.227 129 S C 1.862 176.454 174.600 -0.013 0.000 1.026 129 S CA 0.909 59.095 58.200 -0.023 0.000 0.981 129 S CB -0.117 63.074 63.200 -0.016 0.000 0.818 129 S HN 0.200 nan 8.310 nan 0.000 0.472 130 L N 0.879 122.095 121.223 -0.012 0.000 2.056 130 L HA -0.043 4.297 4.340 0.001 0.000 0.207 130 L C 2.180 179.043 176.870 -0.012 0.000 1.078 130 L CA 0.972 55.812 54.840 -0.001 0.000 0.749 130 L CB -0.585 41.476 42.059 0.004 0.000 0.901 130 L HN 0.293 nan 8.230 nan 0.000 0.433 131 I N 0.457 121.008 120.570 -0.032 0.000 2.127 131 I HA -0.327 3.843 4.170 0.001 0.000 0.241 131 I C 2.771 178.846 176.117 -0.069 0.000 1.075 131 I CA 1.619 62.887 61.300 -0.054 0.000 1.334 131 I CB -0.388 37.573 38.000 -0.064 0.000 1.040 131 I HN 0.382 nan 8.210 nan 0.000 0.405 132 R N 1.061 121.525 120.500 -0.059 0.000 2.285 132 R HA -0.097 4.244 4.340 0.001 0.000 0.213 132 R C 1.376 177.658 176.300 -0.030 0.000 1.068 132 R CA 1.055 57.116 56.100 -0.065 0.000 1.004 132 R CB -0.464 29.805 30.300 -0.052 0.000 0.873 132 R HN 0.463 nan 8.270 nan 0.000 0.467 133 E N 0.278 120.485 120.200 0.011 0.000 2.442 133 E HA 0.048 4.398 4.350 0.001 0.000 0.195 133 E C 0.610 177.301 176.600 0.151 0.000 1.030 133 E CA 0.536 56.995 56.400 0.098 0.000 0.869 133 E CB 0.534 30.287 29.700 0.088 0.000 0.857 133 E HN 0.705 nan 8.360 nan 0.000 0.505 134 G N 0.951 109.757 108.800 0.009 0.000 2.192 134 G HA2 -0.220 3.741 3.960 0.001 0.000 0.193 134 G HA3 -0.220 3.741 3.960 0.001 0.000 0.193 134 G C 0.265 175.170 174.900 0.009 0.000 0.999 134 G CA -0.062 45.019 45.100 -0.031 0.000 0.659 134 G HN 0.103 nan 8.290 nan 0.000 0.503 135 V N 2.539 122.461 119.914 0.014 0.000 2.446 135 V HA 0.411 4.531 4.120 0.001 0.000 0.276 135 V C 1.694 177.773 176.094 -0.025 0.000 1.030 135 V CA 1.312 63.617 62.300 0.010 0.000 1.033 135 V CB 0.869 32.701 31.823 0.014 0.000 0.993 135 V HN 0.658 nan 8.190 nan 0.000 0.477 136 T N 0.095 114.632 114.554 -0.028 0.000 3.001 136 T HA 0.148 4.499 4.350 0.001 0.000 0.251 136 T C 0.627 175.306 174.700 -0.034 0.000 1.040 136 T CA 0.030 62.099 62.100 -0.051 0.000 0.985 136 T CB 0.342 69.164 68.868 -0.077 0.000 1.011 136 T HN 0.556 nan 8.240 nan 0.000 0.509 137 T N 1.465 116.009 114.554 -0.017 0.000 2.991 137 T HA 0.660 5.011 4.350 0.001 0.000 0.303 137 T C -1.666 173.034 174.700 -0.001 0.000 1.015 137 T CA -0.556 61.538 62.100 -0.011 0.000 1.007 137 T CB 2.362 71.225 68.868 -0.008 0.000 1.034 137 T HN 0.146 nan 8.240 nan 0.000 0.446 138 V N 2.583 122.497 119.914 -0.001 0.000 2.789 138 V HA 0.667 4.788 4.120 0.001 0.000 0.311 138 V C -0.999 175.094 176.094 -0.002 0.000 1.073 138 V CA -0.708 61.595 62.300 0.005 0.000 0.921 138 V CB 1.893 33.722 31.823 0.009 0.000 1.009 138 V HN 0.880 nan 8.190 nan 0.000 0.426 139 E N 5.825 126.021 120.200 -0.006 0.000 2.175 139 E HA 0.509 4.860 4.350 0.001 0.000 0.278 139 E C -1.496 175.076 176.600 -0.047 0.000 0.969 139 E CA -0.452 55.929 56.400 -0.032 0.000 0.796 139 E CB 1.550 31.223 29.700 -0.045 0.000 1.104 139 E HN 0.695 nan 8.360 nan 0.000 0.395 140 I N 3.482 124.019 120.570 -0.056 0.000 2.545 140 I HA 0.350 4.521 4.170 0.001 0.000 0.292 140 I C -0.115 175.938 176.117 -0.106 0.000 1.040 140 I CA -0.879 60.387 61.300 -0.057 0.000 1.068 140 I CB 2.033 40.032 38.000 -0.002 0.000 1.251 140 I HN 0.274 nan 8.210 nan 0.000 0.424 141 K N 2.951 123.246 120.400 -0.175 0.000 2.185 141 K HA 0.594 4.914 4.320 0.001 0.000 0.240 141 K C 0.057 176.587 176.600 -0.117 0.000 0.983 141 K CA -0.688 55.468 56.287 -0.219 0.000 0.873 141 K CB 1.914 34.140 32.500 -0.457 0.000 1.118 141 K HN 0.732 nan 8.250 nan 0.000 0.441 142 S N -0.818 114.819 115.700 -0.105 0.000 2.397 142 S HA 0.612 5.083 4.470 0.001 0.000 0.261 142 S C 1.040 175.581 174.600 -0.099 0.000 1.151 142 S CA 0.065 58.246 58.200 -0.032 0.000 1.022 142 S CB 0.495 63.692 63.200 -0.005 0.000 1.187 142 S HN 0.943 nan 8.310 nan 0.000 0.473 143 G N -1.071 107.715 108.800 -0.024 0.000 2.179 143 G HA2 -0.174 3.787 3.960 0.001 0.000 0.220 143 G HA3 -0.174 3.787 3.960 0.001 0.000 0.220 143 G C 0.013 174.898 174.900 -0.025 0.000 0.990 143 G CA 0.333 45.420 45.100 -0.021 0.000 0.646 143 G HN 0.609 nan 8.290 nan 0.000 0.517 144 Y N 0.547 120.974 120.300 0.211 0.000 2.612 144 Y HA 0.485 5.035 4.550 0.001 0.000 0.250 144 Y C 2.024 177.997 175.900 0.122 0.000 1.175 144 Y CA 0.140 58.336 58.100 0.161 0.000 1.205 144 Y CB 0.614 39.181 38.460 0.178 0.000 1.201 144 Y HN 0.253 nan 8.280 nan 0.000 0.532 145 G N -0.790 108.155 108.800 0.241 0.000 2.763 145 G HA2 0.110 4.071 3.960 0.001 0.000 0.205 145 G HA3 0.110 4.071 3.960 0.001 0.000 0.205 145 G C 0.638 175.628 174.900 0.150 0.000 1.137 145 G CA 0.005 45.214 45.100 0.181 0.000 0.839 145 G HN 0.240 nan 8.290 nan 0.000 0.596 146 L N 1.166 122.503 121.223 0.190 0.000 3.634 146 L HA -0.178 4.163 4.340 0.001 0.000 0.423 146 L C 0.101 177.043 176.870 0.120 0.000 1.253 146 L CA 0.455 55.374 54.840 0.133 0.000 0.885 146 L CB -2.815 39.180 42.059 -0.107 0.000 1.789 146 L HN 0.651 nan 8.230 nan 0.000 0.904 147 T N -4.955 109.791 114.554 0.320 0.000 2.886 147 T HA 0.431 4.781 4.350 0.001 0.000 0.330 147 T C 0.409 175.270 174.700 0.270 0.000 1.488 147 T CA -0.325 61.967 62.100 0.320 0.000 1.054 147 T CB 2.033 71.009 68.868 0.180 0.000 1.348 147 T HN 0.050 nan 8.240 nan 0.000 0.489 148 L N 0.909 122.262 121.223 0.216 0.000 1.989 148 L HA -0.085 4.255 4.340 0.001 0.000 0.211 148 L C 2.525 179.446 176.870 0.085 0.000 1.071 148 L CA 2.028 56.935 54.840 0.112 0.000 0.749 148 L CB -0.382 41.722 42.059 0.075 0.000 0.890 148 L HN 0.892 nan 8.230 nan 0.000 0.431 149 E N 0.130 120.382 120.200 0.086 0.000 2.085 149 E HA -0.234 4.117 4.350 0.001 0.000 0.194 149 E C 1.897 178.539 176.600 0.071 0.000 0.994 149 E CA 1.681 58.120 56.400 0.065 0.000 0.801 149 E CB -0.245 29.491 29.700 0.060 0.000 0.743 149 E HN 0.560 nan 8.360 nan 0.000 0.453 150 D N 0.209 120.665 120.400 0.094 0.000 2.224 150 D HA -0.107 4.534 4.640 0.001 0.000 0.205 150 D C 1.633 177.997 176.300 0.107 0.000 0.965 150 D CA 0.644 54.704 54.000 0.100 0.000 0.852 150 D CB 0.077 40.944 40.800 0.112 0.000 0.947 150 D HN 0.165 nan 8.370 nan 0.000 0.494 151 E N 0.559 120.825 120.200 0.110 0.000 2.046 151 E HA -0.077 4.274 4.350 0.001 0.000 0.190 151 E C 2.334 178.966 176.600 0.054 0.000 0.982 151 E CA 0.272 56.727 56.400 0.091 0.000 0.800 151 E CB -0.185 29.569 29.700 0.090 0.000 0.756 151 E HN 0.207 nan 8.360 nan 0.000 0.449 152 L N 1.641 122.888 121.223 0.039 0.000 2.141 152 L HA -0.116 4.225 4.340 0.001 0.000 0.209 152 L C 1.659 178.546 176.870 0.028 0.000 1.094 152 L CA 1.162 56.013 54.840 0.019 0.000 0.763 152 L CB -0.681 41.383 42.059 0.008 0.000 0.908 152 L HN 0.065 nan 8.230 nan 0.000 0.437 156 R N 0.760 121.272 120.500 0.020 0.000 2.075 156 R HA -0.034 4.307 4.340 0.001 0.000 0.232 156 R C 2.007 178.322 176.300 0.025 0.000 1.126 156 R CA 1.559 57.666 56.100 0.011 0.000 0.963 156 R CB -0.110 30.190 30.300 0.000 0.000 0.858 156 R HN 0.129 nan 8.270 nan 0.000 0.435 157 V N 1.197 121.145 119.914 0.057 0.000 2.343 157 V HA -0.266 3.855 4.120 0.001 0.000 0.247 157 V C 2.504 178.679 176.094 0.134 0.000 1.051 157 V CA 2.003 64.373 62.300 0.117 0.000 1.036 157 V CB -0.770 31.137 31.823 0.140 0.000 0.654 157 V HN 0.394 nan 8.190 nan 0.000 0.451 158 A N -0.121 122.750 122.820 0.084 0.000 1.908 158 A HA -0.226 4.094 4.320 0.001 0.000 0.218 158 A C 2.353 179.972 177.584 0.058 0.000 1.181 158 A CA 1.670 53.746 52.037 0.066 0.000 0.627 158 A CB -0.479 18.542 19.000 0.035 0.000 0.818 158 A HN 0.398 nan 8.150 nan 0.000 0.445 159 R N -0.468 120.055 120.500 0.038 0.000 2.081 159 R HA -0.060 4.281 4.340 0.001 0.000 0.235 159 R C 2.255 178.574 176.300 0.031 0.000 1.131 159 R CA 1.583 57.696 56.100 0.022 0.000 0.960 159 R CB -0.656 29.646 30.300 0.002 0.000 0.856 159 R HN 0.584 nan 8.270 nan 0.000 0.436 160 R N 0.396 120.916 120.500 0.034 0.000 2.081 160 R HA -0.036 4.305 4.340 0.001 0.000 0.235 160 R C 2.465 178.872 176.300 0.179 0.000 1.131 160 R CA 1.131 57.235 56.100 0.008 0.000 0.960 160 R CB -0.452 29.751 30.300 -0.161 0.000 0.856 160 R HN 0.136 nan 8.270 nan 0.000 0.436 161 L N -0.742 120.649 121.223 0.280 0.000 2.042 161 L HA -0.153 4.187 4.340 0.001 0.000 0.210 161 L C 2.505 179.452 176.870 0.128 0.000 1.076 161 L CA 1.532 56.525 54.840 0.255 0.000 0.749 161 L CB -0.781 41.354 42.059 0.127 0.000 0.893 161 L HN 0.415 nan 8.230 nan 0.000 0.432 162 G N -0.940 107.907 108.800 0.079 0.000 2.422 162 G HA2 -0.188 3.772 3.960 0.001 0.000 0.218 162 G HA3 -0.188 3.772 3.960 0.001 0.000 0.218 162 G C 1.520 176.441 174.900 0.036 0.000 1.140 162 G CA 0.316 45.440 45.100 0.040 0.000 0.775 162 G HN 0.279 nan 8.290 nan 0.000 0.545 163 E N 0.623 120.850 120.200 0.044 0.000 2.112 163 E HA 0.063 4.414 4.350 0.001 0.000 0.190 163 E C 2.846 179.473 176.600 0.046 0.000 0.979 163 E CA 0.850 57.266 56.400 0.028 0.000 0.814 163 E CB -0.220 29.483 29.700 0.005 0.000 0.762 163 E HN 0.364 nan 8.360 nan 0.000 0.460 164 A N 0.709 123.588 122.820 0.098 0.000 2.016 164 A HA 0.080 4.401 4.320 0.001 0.000 0.217 164 A C 1.273 178.911 177.584 0.091 0.000 1.162 164 A CA 0.528 52.646 52.037 0.134 0.000 0.662 164 A CB 0.045 19.240 19.000 0.325 0.000 0.812 164 A HN 0.061 nan 8.150 nan 0.000 0.450 165 L N -0.536 120.725 121.223 0.064 0.000 2.341 165 L HA 0.378 4.719 4.340 0.001 0.000 0.267 165 L C -2.331 174.541 176.870 0.003 0.000 1.009 165 L CA -2.336 52.517 54.840 0.022 0.000 0.819 165 L CB 2.127 44.187 42.059 0.002 0.000 1.323 165 L HN -0.075 nan 8.230 nan 0.000 0.425 166 P HA 0.161 nan 4.420 nan 0.000 0.237 166 P C -0.895 176.380 177.300 -0.043 0.000 1.788 166 P CA 0.364 63.445 63.100 -0.031 0.000 1.061 166 P CB 0.345 32.020 31.700 -0.042 0.000 1.967 167 I N 1.521 122.073 120.570 -0.030 0.000 2.842 167 I HA 0.311 4.482 4.170 0.001 0.000 0.297 167 I C -0.841 175.264 176.117 -0.021 0.000 1.380 167 I CA -1.165 60.116 61.300 -0.032 0.000 1.018 167 I CB 3.384 41.368 38.000 -0.028 0.000 1.311 167 I HN 0.056 nan 8.210 nan 0.000 0.439 168 R N 4.555 125.042 120.500 -0.023 0.000 2.357 168 R HA 0.666 5.007 4.340 0.001 0.000 0.296 168 R C -1.049 175.245 176.300 -0.009 0.000 1.052 168 R CA -0.578 55.513 56.100 -0.016 0.000 0.988 168 R CB 1.661 31.950 30.300 -0.019 0.000 1.025 168 R HN 0.341 nan 8.270 nan 0.000 0.469 169 V N 3.895 123.806 119.914 -0.005 0.000 2.531 169 V HA 0.302 4.423 4.120 0.001 0.000 0.301 169 V C -0.530 175.559 176.094 -0.008 0.000 1.034 169 V CA -0.993 61.305 62.300 -0.003 0.000 0.865 169 V CB 1.862 33.690 31.823 0.007 0.000 0.995 169 V HN 0.590 nan 8.190 nan 0.000 0.424 170 K N 2.923 123.314 120.400 -0.014 0.000 2.206 170 K HA 0.585 4.906 4.320 0.001 0.000 0.264 170 K C 0.022 176.604 176.600 -0.030 0.000 0.967 170 K CA -0.396 55.878 56.287 -0.021 0.000 0.844 170 K CB 2.001 34.487 32.500 -0.024 0.000 1.099 170 K HN 0.879 nan 8.250 nan 0.000 0.441 171 T N -1.014 113.521 114.554 -0.032 0.000 2.902 171 T HA 0.570 4.920 4.350 0.001 0.000 0.283 171 T C -0.067 174.599 174.700 -0.057 0.000 1.009 171 T CA -0.564 61.513 62.100 -0.040 0.000 1.051 171 T CB 1.178 70.030 68.868 -0.028 0.000 0.999 171 T HN 0.302 nan 8.240 nan 0.000 0.474 172 T N 3.130 117.637 114.554 -0.078 0.000 2.928 172 T HA 0.435 4.786 4.350 0.001 0.000 0.296 172 T C -0.773 173.868 174.700 -0.097 0.000 1.000 172 T CA -0.687 61.356 62.100 -0.094 0.000 0.989 172 T CB 1.293 70.085 68.868 -0.128 0.000 1.005 172 T HN 0.728 nan 8.240 nan 0.000 0.442 173 L N 4.411 125.584 121.223 -0.084 0.000 2.313 173 L HA 0.569 4.910 4.340 0.001 0.000 0.282 173 L C -0.476 176.336 176.870 -0.096 0.000 1.092 173 L CA -0.253 54.537 54.840 -0.083 0.000 0.831 173 L CB 0.377 42.384 42.059 -0.086 0.000 1.159 173 L HN 0.596 nan 8.230 nan 0.000 0.442 174 L N 5.460 126.622 121.223 -0.100 0.000 2.839 174 L HA 0.515 4.856 4.340 0.001 0.000 0.259 174 L C 1.088 177.932 176.870 -0.044 0.000 1.369 174 L CA 0.436 55.208 54.840 -0.114 0.000 0.845 174 L CB 0.508 42.437 42.059 -0.215 0.000 1.181 174 L HN 0.759 nan 8.230 nan 0.000 0.529 175 A N 1.232 124.025 122.820 -0.044 0.000 2.015 175 A HA 0.194 4.515 4.320 0.001 0.000 0.219 175 A C 1.626 179.295 177.584 0.142 0.000 1.163 175 A CA 1.089 53.161 52.037 0.059 0.000 0.646 175 A CB -0.243 18.697 19.000 -0.101 0.000 0.806 175 A HN 0.670 nan 8.150 nan 0.000 0.448 176 A N -1.147 121.592 122.820 -0.135 0.000 3.197 176 A HA 0.326 4.646 4.320 0.001 0.000 0.263 176 A C 0.980 178.584 177.584 0.032 0.000 1.524 176 A CA 0.186 51.941 52.037 -0.470 0.000 1.176 176 A CB -1.139 17.186 19.000 -1.125 0.000 1.096 176 A HN 0.738 nan 8.150 nan 0.000 0.655 177 H N -0.231 118.983 119.070 0.241 0.000 2.465 177 H HA 0.451 5.007 4.556 0.001 0.000 0.289 177 H C 0.699 176.363 175.328 0.560 0.000 1.022 177 H CA 0.798 57.010 56.048 0.273 0.000 1.340 177 H CB 0.268 30.033 29.762 0.004 0.000 1.437 177 H HN 0.628 nan 8.280 nan 0.000 0.539 178 A N 0.049 123.288 122.820 0.698 0.000 2.586 178 A HA 0.429 4.750 4.320 0.001 0.000 0.290 178 A C -1.560 176.231 177.584 0.344 0.000 1.086 178 A CA -0.631 51.629 52.037 0.370 0.000 0.665 178 A CB 1.114 20.152 19.000 0.063 0.000 1.279 178 A HN 0.019 nan 8.150 nan 0.000 0.423 179 V N 3.331 123.231 119.914 -0.023 0.000 2.385 179 V HA 0.395 4.515 4.120 0.001 0.000 0.269 179 V C -1.813 174.128 176.094 -0.256 0.000 1.043 179 V CA -1.060 61.150 62.300 -0.150 0.000 0.906 179 V CB 0.820 32.558 31.823 -0.141 0.000 0.995 179 V HN 0.796 nan 8.190 nan 0.000 0.467 180 P HA 0.140 nan 4.420 nan 0.000 0.269 180 P C -2.300 174.916 177.300 -0.140 0.000 1.217 180 P CA -1.285 61.617 63.100 -0.330 0.000 0.783 180 P CB 0.391 31.774 31.700 -0.528 0.000 0.898 181 P HA -0.192 nan 4.420 nan 0.000 0.216 181 P C 1.143 178.404 177.300 -0.065 0.000 1.153 181 P CA 1.717 64.778 63.100 -0.065 0.000 0.858 181 P CB -0.102 31.564 31.700 -0.057 0.000 0.789 182 E N -2.386 117.763 120.200 -0.085 0.000 2.333 182 E HA -0.141 4.209 4.350 0.001 0.000 0.198 182 E C 0.696 177.120 176.600 -0.293 0.000 1.007 182 E CA 0.980 57.271 56.400 -0.183 0.000 0.845 182 E CB -0.650 28.910 29.700 -0.235 0.000 0.766 182 E HN 0.498 nan 8.360 nan 0.000 0.507 183 Y N -0.983 119.262 120.300 -0.092 0.000 2.660 183 Y HA 0.294 4.844 4.550 0.001 0.000 0.254 183 Y C 1.707 177.585 175.900 -0.036 0.000 1.176 183 Y CA -0.594 57.487 58.100 -0.031 0.000 1.195 183 Y CB 0.324 38.783 38.460 -0.001 0.000 1.190 183 Y HN -0.119 nan 8.280 nan 0.000 0.535 184 R N 0.843 121.372 120.500 0.048 0.000 2.113 184 R HA -0.197 4.143 4.340 0.001 0.000 0.244 184 R C 0.426 176.740 176.300 0.022 0.000 1.142 184 R CA 2.351 58.458 56.100 0.011 0.000 0.953 184 R CB -0.023 30.265 30.300 -0.020 0.000 0.860 184 R HN 0.276 nan 8.270 nan 0.000 0.438 185 D N -0.606 119.809 120.400 0.025 0.000 2.328 185 D HA -0.005 4.636 4.640 0.001 0.000 0.221 185 D C -0.323 176.011 176.300 0.057 0.000 1.072 185 D CA 0.472 54.487 54.000 0.026 0.000 0.850 185 D CB 0.432 41.237 40.800 0.009 0.000 0.922 185 D HN 0.165 nan 8.370 nan 0.000 0.516 186 D N 0.325 120.789 120.400 0.107 0.000 2.849 186 D HA 0.082 4.722 4.640 0.001 0.000 0.314 186 D C -1.669 174.770 176.300 0.232 0.000 1.210 186 D CA -1.674 52.422 54.000 0.161 0.000 0.756 186 D CB 1.171 42.083 40.800 0.187 0.000 1.222 186 D HN -0.111 nan 8.370 nan 0.000 0.521 187 P HA -0.130 nan 4.420 nan 0.000 0.217 187 P C 0.654 178.093 177.300 0.232 0.000 1.148 187 P CA 0.940 64.147 63.100 0.177 0.000 0.828 187 P CB 0.630 32.370 31.700 0.067 0.000 0.783 188 D N -0.351 120.154 120.400 0.175 0.000 2.277 188 D HA -0.069 4.572 4.640 0.001 0.000 0.208 188 D C 2.174 178.558 176.300 0.139 0.000 0.962 188 D CA 1.259 55.343 54.000 0.140 0.000 0.865 188 D CB -0.298 40.560 40.800 0.097 0.000 0.939 188 D HN 0.308 nan 8.370 nan 0.000 0.510 189 S N -0.760 115.068 115.700 0.213 0.000 2.446 189 S HA -0.100 4.371 4.470 0.001 0.000 0.225 189 S C 1.955 176.641 174.600 0.144 0.000 1.016 189 S CA -0.158 58.182 58.200 0.233 0.000 0.943 189 S CB -0.763 62.656 63.200 0.365 0.000 0.786 189 S HN 0.516 nan 8.310 nan 0.000 0.508 190 W N 2.400 123.562 121.300 -0.230 0.000 2.388 190 W HA -0.110 4.551 4.660 0.001 0.000 0.294 190 W C 1.416 177.771 176.519 -0.274 0.000 1.212 190 W CA 0.895 57.843 57.345 -0.662 0.000 1.271 190 W CB -0.011 29.126 29.460 -0.538 0.000 1.126 190 W HN 0.192 nan 8.180 nan 0.000 0.535 191 V N 1.507 121.315 119.914 -0.177 0.000 2.407 191 V HA -0.293 3.828 4.120 0.001 0.000 0.248 191 V C 2.113 178.036 176.094 -0.286 0.000 1.055 191 V CA 2.243 64.371 62.300 -0.287 0.000 1.049 191 V CB -0.852 30.919 31.823 -0.087 0.000 0.662 191 V HN 0.178 nan 8.190 nan 0.000 0.455 192 E N -0.093 120.010 120.200 -0.162 0.000 2.107 192 E HA -0.154 4.197 4.350 0.001 0.000 0.191 192 E C 2.290 178.793 176.600 -0.162 0.000 0.982 192 E CA 1.617 57.950 56.400 -0.113 0.000 0.809 192 E CB -0.311 29.376 29.700 -0.021 0.000 0.756 192 E HN 0.565 nan 8.360 nan 0.000 0.459 193 T N 1.875 116.299 114.554 -0.216 0.000 2.720 193 T HA -0.132 4.219 4.350 0.001 0.000 0.268 193 T C 1.893 176.369 174.700 -0.373 0.000 1.037 193 T CA 0.793 62.758 62.100 -0.224 0.000 1.144 193 T CB -0.050 68.695 68.868 -0.205 0.000 0.864 193 T HN 0.062 nan 8.240 nan 0.000 0.444 194 I N 1.256 121.463 120.570 -0.604 0.000 2.142 194 I HA -0.134 4.036 4.170 0.001 0.000 0.240 194 I C 2.741 178.656 176.117 -0.337 0.000 1.078 194 I CA 0.953 61.908 61.300 -0.575 0.000 1.343 194 I CB -1.611 35.965 38.000 -0.705 0.000 1.046 194 I HN 0.338 nan 8.210 nan 0.000 0.405 195 C N 0.232 119.373 119.300 -0.266 0.000 2.440 195 C HA -0.123 4.338 4.460 0.001 0.000 0.278 195 C C 2.646 177.580 174.990 -0.093 0.000 1.295 195 C CA 0.560 59.487 59.018 -0.150 0.000 1.738 195 C CB -1.148 26.529 27.740 -0.105 0.000 1.987 195 C HN 0.561 nan 8.230 nan 0.000 0.492 196 Q N -0.121 119.622 119.800 -0.094 0.000 2.384 196 Q HA 0.055 4.395 4.340 0.001 0.000 0.207 196 Q C 1.420 177.383 176.000 -0.063 0.000 0.904 196 Q CA 0.628 56.406 55.803 -0.041 0.000 0.933 196 Q CB 0.245 28.974 28.738 -0.014 0.000 1.077 196 Q HN 0.748 nan 8.270 nan 0.000 0.522 197 E N 0.076 120.209 120.200 -0.112 0.000 2.713 197 E HA 0.107 4.458 4.350 0.001 0.000 0.201 197 E C 1.838 178.352 176.600 -0.142 0.000 0.935 197 E CA -0.074 56.266 56.400 -0.099 0.000 1.273 197 E CB 0.230 29.898 29.700 -0.052 0.000 1.221 197 E HN 0.074 nan 8.360 nan 0.000 0.547 198 I N 1.886 122.349 120.570 -0.178 0.000 2.163 198 I HA -0.214 3.957 4.170 0.001 0.000 0.240 198 I C 2.578 178.566 176.117 -0.215 0.000 1.081 198 I CA 1.250 62.443 61.300 -0.178 0.000 1.353 198 I CB -0.261 37.609 38.000 -0.217 0.000 1.054 198 I HN 0.066 nan 8.210 nan 0.000 0.407 199 I N 0.851 121.263 120.570 -0.264 0.000 2.163 199 I HA -0.205 3.966 4.170 0.001 0.000 0.243 199 I C -0.329 175.488 176.117 -0.499 0.000 1.085 199 I CA 1.839 62.953 61.300 -0.310 0.000 1.347 199 I CB -1.535 36.305 38.000 -0.268 0.000 1.044 199 I HN 0.141 nan 8.210 nan 0.000 0.408 200 P HA -0.177 nan 4.420 nan 0.000 0.215 200 P C 1.475 178.536 177.300 -0.397 0.000 1.157 200 P CA 1.896 64.486 63.100 -0.850 0.000 0.868 200 P CB -0.025 31.401 31.700 -0.455 0.000 0.788 201 A N -0.240 122.441 122.820 -0.233 0.000 1.933 201 A HA -0.105 4.216 4.320 0.001 0.000 0.218 201 A C 2.292 179.805 177.584 -0.119 0.000 1.175 201 A CA 2.043 54.004 52.037 -0.128 0.000 0.628 201 A CB -1.595 17.355 19.000 -0.082 0.000 0.814 201 A HN 0.186 nan 8.150 nan 0.000 0.444 202 A N -0.087 122.643 122.820 -0.149 0.000 1.873 202 A HA 0.181 4.501 4.320 0.001 0.000 0.215 202 A C 2.522 180.044 177.584 -0.103 0.000 1.186 202 A CA 2.071 54.041 52.037 -0.111 0.000 0.616 202 A CB -1.052 17.877 19.000 -0.118 0.000 0.823 202 A HN 1.019 nan 8.150 nan 0.000 0.442 203 A N -0.206 122.519 122.820 -0.158 0.000 1.877 203 A HA -0.159 4.161 4.320 0.001 0.000 0.216 203 A C 1.966 179.536 177.584 -0.023 0.000 1.186 203 A CA 2.178 54.165 52.037 -0.083 0.000 0.620 203 A CB -0.568 18.370 19.000 -0.104 0.000 0.822 203 A HN 0.545 nan 8.150 nan 0.000 0.443 204 E N 0.459 120.635 120.200 -0.039 0.000 2.118 204 E HA -0.109 4.242 4.350 0.001 0.000 0.195 204 E C 1.654 178.253 176.600 -0.003 0.000 0.992 204 E CA 1.652 58.055 56.400 0.006 0.000 0.804 204 E CB -0.404 29.297 29.700 0.000 0.000 0.741 204 E HN 0.485 nan 8.360 nan 0.000 0.458 205 A N -0.584 122.223 122.820 -0.021 0.000 2.251 205 A HA 0.378 4.699 4.320 0.001 0.000 0.209 205 A C 1.615 179.191 177.584 -0.014 0.000 1.187 205 A CA 0.682 52.710 52.037 -0.016 0.000 0.823 205 A CB -0.694 18.293 19.000 -0.022 0.000 0.846 205 A HN 0.484 nan 8.150 nan 0.000 0.486 206 G N -0.571 108.221 108.800 -0.012 0.000 2.273 206 G HA2 -0.252 3.708 3.960 0.001 0.000 0.280 206 G HA3 -0.252 3.708 3.960 0.001 0.000 0.280 206 G C 0.534 175.425 174.900 -0.015 0.000 1.047 206 G CA 0.657 45.752 45.100 -0.009 0.000 0.869 206 G HN 0.502 nan 8.290 nan 0.000 0.502 207 L N -0.987 120.222 121.223 -0.023 0.000 2.554 207 L HA 0.487 4.827 4.340 0.001 0.000 0.225 207 L C 1.580 178.433 176.870 -0.028 0.000 1.104 207 L CA 0.804 55.630 54.840 -0.023 0.000 0.866 207 L CB 0.259 42.303 42.059 -0.024 0.000 1.047 207 L HN 0.503 nan 8.230 nan 0.000 0.468 208 A N -0.575 122.224 122.820 -0.035 0.000 2.304 208 A HA 0.363 4.683 4.320 0.001 0.000 0.314 208 A C -0.158 177.407 177.584 -0.033 0.000 1.187 208 A CA -0.562 51.451 52.037 -0.040 0.000 0.810 208 A CB 0.691 19.657 19.000 -0.057 0.000 1.183 208 A HN 0.007 nan 8.150 nan 0.000 0.487 209 D N 1.160 121.540 120.400 -0.033 0.000 2.305 209 D HA 0.321 4.961 4.640 0.001 0.000 0.206 209 D C 0.786 177.065 176.300 -0.034 0.000 0.974 209 D CA 1.724 55.707 54.000 -0.028 0.000 0.871 209 D CB 0.593 41.377 40.800 -0.027 0.000 0.947 209 D HN 0.749 nan 8.370 nan 0.000 0.516 210 A N -0.354 122.438 122.820 -0.046 0.000 2.599 210 A HA 0.580 4.901 4.320 0.001 0.000 0.290 210 A C -1.468 176.077 177.584 -0.064 0.000 1.101 210 A CA -0.564 51.439 52.037 -0.055 0.000 0.674 210 A CB 1.425 20.389 19.000 -0.060 0.000 1.277 210 A HN -0.120 nan 8.150 nan 0.000 0.419 211 V N 1.186 121.059 119.914 -0.069 0.000 2.604 211 V HA 0.658 4.779 4.120 0.001 0.000 0.305 211 V C -1.016 175.061 176.094 -0.029 0.000 1.043 211 V CA -0.340 61.925 62.300 -0.058 0.000 0.888 211 V CB 1.842 33.636 31.823 -0.049 0.000 0.995 211 V HN 0.990 nan 8.190 nan 0.000 0.429 212 D N 2.308 122.703 120.400 -0.008 0.000 2.547 212 D HA 0.755 5.395 4.640 0.001 0.000 0.231 212 D C -1.444 174.895 176.300 0.064 0.000 1.099 212 D CA -0.246 53.791 54.000 0.062 0.000 0.901 212 D CB 2.537 43.351 40.800 0.024 0.000 1.478 212 D HN 0.290 nan 8.370 nan 0.000 0.471 213 V N 2.028 122.034 119.914 0.153 0.000 2.925 213 V HA 0.408 4.529 4.120 0.001 0.000 0.311 213 V C -0.929 175.318 176.094 0.254 0.000 1.104 213 V CA -0.959 61.384 62.300 0.073 0.000 0.954 213 V CB 1.926 33.705 31.823 -0.074 0.000 1.022 213 V HN 0.545 nan 8.190 nan 0.000 0.427 214 F N 4.446 124.448 119.950 0.086 0.000 2.351 214 F HA 0.448 4.975 4.527 0.001 0.000 0.362 214 F C 0.227 176.196 175.800 0.281 0.000 1.131 214 F CA -1.261 56.864 58.000 0.208 0.000 1.187 214 F CB 0.276 39.432 39.000 0.259 0.000 1.434 214 F HN 0.561 nan 8.300 nan 0.000 0.553 215 C N 6.424 125.756 119.300 0.052 0.000 2.289 215 C HA 0.647 5.108 4.460 0.001 0.000 0.340 215 C C -0.212 174.599 174.990 -0.298 0.000 1.152 215 C CA 0.163 59.135 59.018 -0.076 0.000 1.650 215 C CB -1.798 25.954 27.740 0.019 0.000 2.203 215 C HN 0.918 nan 8.230 nan 0.000 0.511 216 E N 2.181 122.095 120.200 -0.478 0.000 2.416 216 E HA 0.255 4.605 4.350 0.001 0.000 0.280 216 E C 0.786 177.167 176.600 -0.365 0.000 1.055 216 E CA -0.502 55.600 56.400 -0.496 0.000 0.825 216 E CB 0.666 29.767 29.700 -0.997 0.000 1.312 216 E HN 0.695 nan 8.360 nan 0.000 0.452 217 H N 2.098 121.038 119.070 -0.216 0.000 2.387 217 H HA -0.092 4.465 4.556 0.002 0.000 0.299 217 H C 1.465 176.704 175.328 -0.149 0.000 1.099 217 H CA 2.003 57.959 56.048 -0.152 0.000 1.315 217 H CB -0.417 29.277 29.762 -0.113 0.000 1.380 217 H HN 0.527 nan 8.280 nan 0.000 0.513 218 I N -1.559 118.585 120.570 -0.709 0.000 3.810 218 I HA 0.488 4.659 4.170 0.001 0.000 0.322 218 I C 0.998 176.949 176.117 -0.276 0.000 1.288 218 I CA 0.007 61.081 61.300 -0.377 0.000 1.143 218 I CB 0.419 38.236 38.000 -0.306 0.000 1.012 218 I HN 0.215 nan 8.210 nan 0.000 0.423 219 G N 0.969 109.504 108.800 -0.441 0.000 3.364 219 G HA2 0.507 4.468 3.960 0.001 0.000 0.191 219 G HA3 0.507 4.468 3.960 0.001 0.000 0.191 219 G C -0.834 173.730 174.900 -0.561 0.000 1.352 219 G CA -0.444 44.398 45.100 -0.430 0.000 0.758 219 G HN 0.133 nan 8.290 nan 0.000 0.730 220 F N 1.217 121.063 119.950 -0.173 0.000 2.492 220 F HA 0.547 5.074 4.527 0.001 0.000 0.327 220 F C 1.027 176.757 175.800 -0.117 0.000 1.079 220 F CA -0.691 57.254 58.000 -0.091 0.000 0.967 220 F CB 2.273 41.243 39.000 -0.050 0.000 1.169 220 F HN 0.441 nan 8.300 nan 0.000 0.472 221 S N 1.852 117.596 115.700 0.073 0.000 2.617 221 S HA 0.119 4.590 4.470 0.001 0.000 0.259 221 S C 0.930 175.536 174.600 0.011 0.000 1.301 221 S CA -0.632 57.580 58.200 0.020 0.000 0.984 221 S CB 0.717 63.926 63.200 0.016 0.000 0.954 221 S HN 0.722 nan 8.310 nan 0.000 0.572 222 L N 1.308 122.529 121.223 -0.004 0.000 2.083 222 L HA 0.073 4.413 4.340 0.001 0.000 0.209 222 L C 2.625 179.477 176.870 -0.031 0.000 1.083 222 L CA 2.306 57.136 54.840 -0.016 0.000 0.752 222 L CB -1.500 40.565 42.059 0.009 0.000 0.899 222 L HN 0.936 nan 8.230 nan 0.000 0.433 223 A N -1.082 121.734 122.820 -0.007 0.000 1.877 223 A HA -0.253 4.068 4.320 0.001 0.000 0.216 223 A C 2.162 179.729 177.584 -0.029 0.000 1.186 223 A CA 1.791 53.826 52.037 -0.005 0.000 0.620 223 A CB -0.604 18.404 19.000 0.013 0.000 0.822 223 A HN 0.635 nan 8.150 nan 0.000 0.443 224 Q N -0.863 118.933 119.800 -0.006 0.000 2.124 224 Q HA -0.124 4.216 4.340 0.001 0.000 0.202 224 Q C 2.119 178.039 176.000 -0.134 0.000 0.977 224 Q CA 1.807 57.606 55.803 -0.006 0.000 0.850 224 Q CB -0.455 28.371 28.738 0.147 0.000 0.901 224 Q HN 0.664 nan 8.270 nan 0.000 0.429 225 T N 1.004 115.449 114.554 -0.182 0.000 2.777 225 T HA -0.192 4.158 4.350 0.001 0.000 0.266 225 T C 1.672 175.988 174.700 -0.639 0.000 1.040 225 T CA 1.450 63.291 62.100 -0.432 0.000 1.141 225 T CB -0.165 68.471 68.868 -0.387 0.000 0.868 225 T HN 0.407 nan 8.240 nan 0.000 0.444 226 E N 0.488 120.467 120.200 -0.368 0.000 2.153 226 E HA -0.210 4.140 4.350 0.001 0.000 0.194 226 E C 2.260 178.747 176.600 -0.188 0.000 0.988 226 E CA 0.868 57.118 56.400 -0.250 0.000 0.811 226 E CB 0.031 29.741 29.700 0.016 0.000 0.746 226 E HN 0.314 nan 8.360 nan 0.000 0.466 227 Q N 0.268 119.976 119.800 -0.153 0.000 2.030 227 Q HA -0.158 4.182 4.340 0.001 0.000 0.204 227 Q C 2.457 178.378 176.000 -0.132 0.000 0.986 227 Q CA 1.561 57.304 55.803 -0.100 0.000 0.843 227 Q CB -0.630 28.052 28.738 -0.095 0.000 0.904 227 Q HN 0.285 nan 8.270 nan 0.000 0.420 228 V N 0.670 120.449 119.914 -0.225 0.000 2.231 228 V HA -0.288 3.833 4.120 0.001 0.000 0.248 228 V C 2.254 178.305 176.094 -0.071 0.000 1.054 228 V CA 1.969 64.154 62.300 -0.192 0.000 1.015 228 V CB -1.019 30.643 31.823 -0.268 0.000 0.638 228 V HN 0.256 nan 8.190 nan 0.000 0.444 229 Y N 0.138 120.218 120.300 -0.366 0.000 2.181 229 Y HA -0.217 4.334 4.550 0.001 0.000 0.284 229 Y C 2.351 178.059 175.900 -0.320 0.000 1.179 229 Y CA 1.030 58.793 58.100 -0.562 0.000 1.179 229 Y CB -1.214 36.418 38.460 -1.379 0.000 0.973 229 Y HN 0.223 nan 8.280 nan 0.000 0.519 230 L N -0.889 120.344 121.223 0.017 0.000 2.056 230 L HA -0.193 4.148 4.340 0.001 0.000 0.207 230 L C 2.693 179.638 176.870 0.124 0.000 1.078 230 L CA 1.210 56.162 54.840 0.185 0.000 0.749 230 L CB -0.852 41.304 42.059 0.163 0.000 0.901 230 L HN 0.124 nan 8.230 nan 0.000 0.433 231 A N 0.005 122.867 122.820 0.071 0.000 1.898 231 A HA -0.127 4.193 4.320 0.001 0.000 0.216 231 A C 2.552 180.228 177.584 0.152 0.000 1.181 231 A CA 1.596 53.693 52.037 0.100 0.000 0.620 231 A CB -0.774 18.244 19.000 0.030 0.000 0.819 231 A HN 0.374 nan 8.150 nan 0.000 0.442 232 A N -0.166 122.703 122.820 0.082 0.000 1.908 232 A HA -0.251 4.070 4.320 0.001 0.000 0.218 232 A C 1.958 179.607 177.584 0.108 0.000 1.181 232 A CA 2.023 54.105 52.037 0.075 0.000 0.627 232 A CB -0.645 18.358 19.000 0.005 0.000 0.818 232 A HN 0.545 nan 8.150 nan 0.000 0.445 233 D N -0.731 119.734 120.400 0.107 0.000 2.123 233 D HA -0.169 4.472 4.640 0.001 0.000 0.196 233 D C 1.872 178.213 176.300 0.069 0.000 0.992 233 D CA 1.384 55.449 54.000 0.108 0.000 0.833 233 D CB -0.107 40.799 40.800 0.177 0.000 0.954 233 D HN 0.402 nan 8.370 nan 0.000 0.455 234 Q N -0.584 119.254 119.800 0.064 0.000 2.170 234 Q HA -0.167 4.174 4.340 0.001 0.000 0.203 234 Q C 1.314 177.187 176.000 -0.212 0.000 0.976 234 Q CA 0.956 56.716 55.803 -0.070 0.000 0.858 234 Q CB -0.506 28.177 28.738 -0.093 0.000 0.907 234 Q HN 0.578 nan 8.270 nan 0.000 0.433 235 Y N -0.279 120.019 120.300 -0.003 0.000 2.571 235 Y HA 0.313 4.864 4.550 0.001 0.000 0.275 235 Y C 1.131 177.025 175.900 -0.010 0.000 1.179 235 Y CA 0.065 58.159 58.100 -0.010 0.000 1.242 235 Y CB 0.405 38.853 38.460 -0.018 0.000 1.126 235 Y HN 0.206 nan 8.280 nan 0.000 0.524 236 G N 1.402 110.247 108.800 0.074 0.000 2.323 236 G HA2 -0.288 3.673 3.960 0.001 0.000 0.292 236 G HA3 -0.288 3.673 3.960 0.001 0.000 0.292 236 G C -0.366 174.562 174.900 0.047 0.000 1.040 236 G CA 0.060 45.187 45.100 0.045 0.000 0.942 236 G HN 0.332 nan 8.290 nan 0.000 0.506 237 L N -0.194 121.060 121.223 0.052 0.000 2.329 237 L HA 0.753 5.094 4.340 0.001 0.000 0.279 237 L C 0.969 177.832 176.870 -0.012 0.000 1.014 237 L CA -0.750 54.102 54.840 0.019 0.000 0.814 237 L CB 1.769 43.838 42.059 0.016 0.000 1.257 237 L HN 0.329 nan 8.230 nan 0.000 0.424 238 A N 2.744 125.547 122.820 -0.029 0.000 2.406 238 A HA 0.565 4.885 4.320 0.001 0.000 0.243 238 A C -0.115 177.408 177.584 -0.101 0.000 1.082 238 A CA -0.243 51.761 52.037 -0.055 0.000 0.786 238 A CB 0.658 19.631 19.000 -0.046 0.000 1.029 238 A HN 0.606 nan 8.150 nan 0.000 0.495 239 V N -1.245 118.570 119.914 -0.165 0.000 3.126 239 V HA 0.989 5.109 4.120 0.001 0.000 0.314 239 V C -0.644 175.306 176.094 -0.241 0.000 1.138 239 V CA -0.482 61.646 62.300 -0.287 0.000 1.034 239 V CB 1.652 33.072 31.823 -0.672 0.000 1.075 239 V HN 1.386 nan 8.190 nan 0.000 0.442 240 K N 0.480 120.754 120.400 -0.211 0.000 2.680 240 K HA 0.854 5.175 4.320 0.001 0.000 0.295 240 K C -0.668 175.992 176.600 0.100 0.000 1.052 240 K CA -0.417 55.834 56.287 -0.059 0.000 0.863 240 K CB 1.423 33.911 32.500 -0.020 0.000 1.549 240 K HN 1.773 nan 8.250 nan 0.000 0.391 241 G N 0.228 109.134 108.800 0.177 0.000 2.720 241 G HA2 0.506 4.466 3.960 0.001 0.000 0.295 241 G HA3 0.506 4.466 3.960 0.001 0.000 0.295 241 G C -1.883 173.217 174.900 0.334 0.000 1.437 241 G CA -0.602 44.680 45.100 0.303 0.000 0.886 241 G HN 0.537 nan 8.290 nan 0.000 0.509 245 Q N 0.384 120.379 119.800 0.324 0.000 2.049 245 Q HA 0.050 4.390 4.340 0.001 0.000 0.198 245 Q C 1.322 177.556 176.000 0.390 0.000 0.971 245 Q CA 1.200 57.176 55.803 0.287 0.000 0.833 245 Q CB 0.406 29.177 28.738 0.056 0.000 0.896 245 Q HN 0.292 nan 8.270 nan 0.000 0.434 246 L N -1.166 120.245 121.223 0.313 0.000 2.749 246 L HA 0.356 4.697 4.340 0.001 0.000 0.242 246 L C 0.408 177.133 176.870 -0.241 0.000 1.103 246 L CA -0.321 54.668 54.840 0.249 0.000 0.906 246 L CB 1.451 43.697 42.059 0.312 0.000 1.228 246 L HN -0.062 nan 8.230 nan 0.000 0.517 247 S N -0.591 114.977 115.700 -0.219 0.000 2.595 247 S HA 0.335 4.805 4.470 0.001 0.000 0.270 247 S C -1.861 172.662 174.600 -0.127 0.000 1.145 247 S CA -0.670 57.274 58.200 -0.426 0.000 0.825 247 S CB 1.655 64.716 63.200 -0.231 0.000 1.107 247 S HN 0.080 nan 8.310 nan 0.000 0.461 248 N N 2.761 121.396 118.700 -0.108 0.000 2.501 248 N HA 0.403 5.144 4.740 0.001 0.000 0.245 248 N C 0.047 175.558 175.510 0.002 0.000 0.974 248 N CA -0.304 52.756 53.050 0.017 0.000 0.941 248 N CB 0.734 39.263 38.487 0.069 0.000 1.122 248 N HN 0.659 nan 8.380 nan 0.000 0.507 249 L N 1.822 123.056 121.223 0.018 0.000 2.640 249 L HA 0.343 4.683 4.340 0.001 0.000 0.230 249 L C 1.351 178.239 176.870 0.029 0.000 1.123 249 L CA 0.114 54.961 54.840 0.012 0.000 0.900 249 L CB 0.194 42.255 42.059 0.004 0.000 1.146 249 L HN 0.722 nan 8.230 nan 0.000 0.484 250 G N 0.060 108.888 108.800 0.047 0.000 2.141 250 G HA2 -0.245 3.715 3.960 0.001 0.000 0.231 250 G HA3 -0.245 3.715 3.960 0.001 0.000 0.231 250 G C 0.910 175.856 174.900 0.077 0.000 0.984 250 G CA 0.113 45.248 45.100 0.058 0.000 0.660 250 G HN 0.416 nan 8.290 nan 0.000 0.525 251 G N 0.433 109.281 108.800 0.080 0.000 2.422 251 G HA2 0.016 3.976 3.960 0.001 0.000 0.218 251 G HA3 0.016 3.976 3.960 0.001 0.000 0.218 251 G C 1.890 176.876 174.900 0.144 0.000 1.146 251 G CA 2.040 47.201 45.100 0.102 0.000 0.769 251 G HN 0.757 nan 8.290 nan 0.000 0.547 252 S N 0.291 116.070 115.700 0.131 0.000 2.370 252 S HA -0.129 4.342 4.470 0.001 0.000 0.226 252 S C 2.568 177.245 174.600 0.128 0.000 1.033 252 S CA 1.758 60.035 58.200 0.130 0.000 1.011 252 S CB -0.428 62.835 63.200 0.106 0.000 0.852 252 S HN 0.465 nan 8.310 nan 0.000 0.457 253 T N 2.585 117.208 114.554 0.114 0.000 2.708 253 T HA -0.048 4.303 4.350 0.001 0.000 0.266 253 T C 1.787 176.576 174.700 0.149 0.000 1.037 253 T CA 1.177 63.342 62.100 0.109 0.000 1.146 253 T CB -0.468 68.451 68.868 0.085 0.000 0.865 253 T HN 0.233 nan 8.240 nan 0.000 0.435 254 L N 1.613 122.946 121.223 0.184 0.000 2.012 254 L HA -0.008 4.333 4.340 0.001 0.000 0.210 254 L C 2.591 179.717 176.870 0.427 0.000 1.073 254 L CA 2.056 57.068 54.840 0.286 0.000 0.748 254 L CB -1.049 41.164 42.059 0.256 0.000 0.891 254 L HN 0.221 nan 8.230 nan 0.000 0.431 255 A N -0.395 122.643 122.820 0.363 0.000 1.902 255 A HA -0.120 4.201 4.320 0.001 0.000 0.217 255 A C 2.475 180.183 177.584 0.206 0.000 1.181 255 A CA 1.944 54.169 52.037 0.315 0.000 0.623 255 A CB -1.273 17.865 19.000 0.230 0.000 0.818 255 A HN 0.620 nan 8.150 nan 0.000 0.443 256 A N 0.377 123.294 122.820 0.162 0.000 1.940 256 A HA -0.215 4.105 4.320 0.001 0.000 0.219 256 A C 1.872 179.514 177.584 0.097 0.000 1.176 256 A CA 1.787 53.887 52.037 0.105 0.000 0.631 256 A CB -0.649 18.406 19.000 0.091 0.000 0.814 256 A HN 0.577 nan 8.150 nan 0.000 0.446 257 N N -0.902 117.871 118.700 0.122 0.000 2.244 257 N HA -0.085 4.655 4.740 0.001 0.000 0.183 257 N C 0.911 176.383 175.510 -0.064 0.000 1.016 257 N CA 1.102 54.166 53.050 0.023 0.000 0.866 257 N CB -0.463 38.023 38.487 -0.002 0.000 0.980 257 N HN 0.538 nan 8.380 nan 0.000 0.430 258 F N 0.331 120.292 119.950 0.017 0.000 2.797 258 F HA 0.228 4.755 4.527 0.001 0.000 0.302 258 F C 1.481 177.237 175.800 -0.073 0.000 1.130 258 F CA 0.057 58.041 58.000 -0.028 0.000 1.387 258 F CB -0.108 38.848 39.000 -0.072 0.000 1.107 258 F HN 0.037 nan 8.300 nan 0.000 0.577 259 G N 1.085 109.930 108.800 0.074 0.000 2.272 259 G HA2 -0.139 3.821 3.960 0.001 0.000 0.280 259 G HA3 -0.139 3.821 3.960 0.001 0.000 0.280 259 G C 0.326 175.225 174.900 -0.001 0.000 1.067 259 G CA -0.144 44.967 45.100 0.018 0.000 0.902 259 G HN 0.638 nan 8.290 nan 0.000 0.500 260 A N -0.643 122.173 122.820 -0.005 0.000 2.498 260 A HA 0.600 4.920 4.320 0.001 0.000 0.239 260 A C 1.644 179.204 177.584 -0.039 0.000 1.068 260 A CA 0.578 52.576 52.037 -0.065 0.000 0.766 260 A CB 0.279 19.244 19.000 -0.058 0.000 1.003 260 A HN 0.863 nan 8.150 nan 0.000 0.497 261 L N 1.490 122.682 121.223 -0.050 0.000 2.046 261 L HA -0.062 4.279 4.340 0.001 0.000 0.208 261 L C 1.256 178.117 176.870 -0.015 0.000 1.077 261 L CA 1.769 56.591 54.840 -0.030 0.000 0.747 261 L CB -0.393 41.647 42.059 -0.032 0.000 0.896 261 L HN 0.979 nan 8.230 nan 0.000 0.432 262 S N -1.944 113.750 115.700 -0.009 0.000 2.611 262 S HA 0.560 5.030 4.470 0.001 0.000 0.268 262 S C -0.897 173.722 174.600 0.032 0.000 1.156 262 S CA -0.868 57.338 58.200 0.009 0.000 0.817 262 S CB 1.782 64.990 63.200 0.013 0.000 1.122 262 S HN -0.076 nan 8.310 nan 0.000 0.466 263 V N -0.679 119.260 119.914 0.043 0.000 2.588 263 V HA 0.778 4.899 4.120 0.001 0.000 0.304 263 V C -1.361 174.763 176.094 0.050 0.000 1.042 263 V CA -0.649 61.697 62.300 0.075 0.000 0.877 263 V CB 1.520 33.396 31.823 0.088 0.000 0.996 263 V HN 0.916 nan 8.190 nan 0.000 0.425 264 D N 2.407 122.840 120.400 0.055 0.000 2.269 264 D HA 0.545 5.185 4.640 0.001 0.000 0.244 264 D C 0.488 176.799 176.300 0.018 0.000 0.992 264 D CA -0.020 53.936 54.000 -0.073 0.000 0.894 264 D CB 1.506 42.172 40.800 -0.223 0.000 1.248 264 D HN 0.895 nan 8.370 nan 0.000 0.468 265 H N 0.202 119.257 119.070 -0.025 0.000 4.720 265 H HA -0.212 4.344 4.556 0.001 0.000 0.063 265 H C 0.863 176.224 175.328 0.055 0.000 0.618 265 H CA 1.019 57.101 56.048 0.056 0.000 0.917 265 H CB -0.738 29.112 29.762 0.147 0.000 0.416 265 H HN 0.376 nan 8.280 nan 0.000 0.810 266 L N 0.753 122.107 121.223 0.218 0.000 4.625 266 L HA -0.225 4.115 4.340 0.001 0.000 0.428 266 L C 1.591 178.495 176.870 0.057 0.000 1.129 266 L CA 1.892 56.801 54.840 0.114 0.000 0.978 266 L CB -2.284 39.789 42.059 0.024 0.000 2.043 266 L HN 0.492 nan 8.230 nan 0.000 0.847 267 E N -0.871 119.388 120.200 0.098 0.000 2.147 267 E HA -0.174 4.177 4.350 0.001 0.000 0.199 267 E C 1.399 177.871 176.600 -0.214 0.000 1.005 267 E CA 2.029 58.394 56.400 -0.059 0.000 0.810 267 E CB -0.200 29.516 29.700 0.026 0.000 0.736 267 E HN 0.716 nan 8.360 nan 0.000 0.460 268 Y N -0.807 119.528 120.300 0.058 0.000 2.658 268 Y HA 0.230 4.780 4.550 0.000 0.000 0.276 268 Y C 0.034 175.954 175.900 0.032 0.000 1.167 268 Y CA -0.921 57.205 58.100 0.043 0.000 1.230 268 Y CB 0.366 38.859 38.460 0.055 0.000 1.144 268 Y HN -0.024 nan 8.280 nan 0.000 0.529 269 L N 2.997 124.290 121.223 0.116 0.000 2.525 269 L HA 0.060 4.401 4.340 0.001 0.000 0.278 269 L C 0.277 177.182 176.870 0.058 0.000 1.218 269 L CA -0.010 54.878 54.840 0.081 0.000 0.878 269 L CB 0.170 42.253 42.059 0.040 0.000 1.127 269 L HN 0.287 nan 8.230 nan 0.000 0.492 270 D N 4.168 124.604 120.400 0.060 0.000 2.440 270 D HA 0.339 4.980 4.640 0.001 0.000 0.258 270 D C -2.332 173.984 176.300 0.026 0.000 1.092 270 D CA -1.768 52.258 54.000 0.044 0.000 1.016 270 D CB 0.745 41.575 40.800 0.051 0.000 1.141 270 D HN 0.290 nan 8.370 nan 0.000 0.552 271 P HA -0.125 nan 4.420 nan 0.000 0.216 271 P C 0.896 178.204 177.300 0.013 0.000 1.150 271 P CA 1.460 64.566 63.100 0.010 0.000 0.837 271 P CB 0.273 31.977 31.700 0.007 0.000 0.786 272 E N -0.792 119.419 120.200 0.018 0.000 2.072 272 E HA -0.072 4.278 4.350 0.001 0.000 0.191 272 E C 2.269 178.886 176.600 0.028 0.000 0.985 272 E CA 1.479 57.891 56.400 0.019 0.000 0.801 272 E CB -1.460 28.252 29.700 0.021 0.000 0.750 272 E HN 0.187 nan 8.360 nan 0.000 0.452 273 G N 0.841 109.664 108.800 0.037 0.000 2.440 273 G HA2 -0.250 3.710 3.960 0.001 0.000 0.218 273 G HA3 -0.250 3.710 3.960 0.001 0.000 0.218 273 G C 1.634 176.557 174.900 0.039 0.000 1.154 273 G CA 0.866 45.994 45.100 0.047 0.000 0.767 273 G HN 0.204 nan 8.290 nan 0.000 0.552 274 I N 0.306 120.892 120.570 0.026 0.000 2.208 274 I HA -0.218 3.952 4.170 0.001 0.000 0.245 274 I C 3.022 179.151 176.117 0.020 0.000 1.097 274 I CA 1.041 62.350 61.300 0.015 0.000 1.363 274 I CB -0.209 37.792 38.000 0.002 0.000 1.051 274 I HN 0.136 nan 8.210 nan 0.000 0.413 275 Q N 0.706 120.518 119.800 0.020 0.000 2.050 275 Q HA -0.178 4.162 4.340 0.001 0.000 0.202 275 Q C 2.476 178.507 176.000 0.051 0.000 0.980 275 Q CA 1.972 57.789 55.803 0.022 0.000 0.840 275 Q CB -0.722 28.017 28.738 0.003 0.000 0.898 275 Q HN 0.579 nan 8.270 nan 0.000 0.424 276 A N 1.155 124.007 122.820 0.053 0.000 1.873 276 A HA -0.188 4.133 4.320 0.001 0.000 0.218 276 A C 2.304 179.940 177.584 0.087 0.000 1.193 276 A CA 1.592 53.678 52.037 0.081 0.000 0.629 276 A CB -0.928 18.114 19.000 0.070 0.000 0.826 276 A HN 0.348 nan 8.150 nan 0.000 0.447 277 L N -0.907 120.350 121.223 0.057 0.000 2.042 277 L HA -0.228 4.112 4.340 0.001 0.000 0.210 277 L C 3.110 179.997 176.870 0.028 0.000 1.076 277 L CA 1.238 56.100 54.840 0.037 0.000 0.749 277 L CB -0.798 41.275 42.059 0.022 0.000 0.893 277 L HN 0.458 nan 8.230 nan 0.000 0.432 278 A N -0.548 122.294 122.820 0.037 0.000 1.902 278 A HA -0.288 4.032 4.320 0.001 0.000 0.217 278 A C 2.144 179.768 177.584 0.066 0.000 1.181 278 A CA 2.024 54.081 52.037 0.033 0.000 0.623 278 A CB -0.800 18.220 19.000 0.033 0.000 0.818 278 A HN 0.489 nan 8.150 nan 0.000 0.443 279 H N -0.346 118.718 119.070 -0.010 0.000 2.326 279 H HA 0.033 4.589 4.556 0.001 0.000 0.301 279 H C 1.757 177.080 175.328 -0.009 0.000 1.081 279 H CA 1.619 57.661 56.048 -0.009 0.000 1.334 279 H CB 0.043 29.802 29.762 -0.006 0.000 1.385 279 H HN 0.197 nan 8.280 nan 0.000 0.504 280 R N 0.202 120.678 120.500 -0.041 0.000 2.323 280 R HA 0.130 4.470 4.340 0.001 0.000 0.198 280 R C 0.868 177.122 176.300 -0.077 0.000 0.988 280 R CA 0.616 56.658 56.100 -0.096 0.000 1.041 280 R CB -0.811 29.481 30.300 -0.013 0.000 0.926 280 R HN 0.588 nan 8.270 nan 0.000 0.476 281 G N 1.163 109.926 108.800 -0.062 0.000 2.273 281 G HA2 -0.264 3.696 3.960 0.001 0.000 0.280 281 G HA3 -0.264 3.696 3.960 0.001 0.000 0.280 281 G C 0.160 175.038 174.900 -0.037 0.000 1.047 281 G CA 0.404 45.473 45.100 -0.051 0.000 0.869 281 G HN 0.160 nan 8.290 nan 0.000 0.502 282 V N -0.197 119.703 119.914 -0.023 0.000 2.649 282 V HA 0.431 4.552 4.120 0.001 0.000 0.292 282 V C 1.163 177.241 176.094 -0.027 0.000 1.055 282 V CA -0.668 61.624 62.300 -0.014 0.000 1.023 282 V CB 1.767 33.594 31.823 0.008 0.000 0.992 282 V HN 0.230 nan 8.190 nan 0.000 0.480 283 V N 3.543 123.443 119.914 -0.024 0.000 2.546 283 V HA 0.577 4.697 4.120 0.001 0.000 0.284 283 V C 0.575 176.654 176.094 -0.025 0.000 1.050 283 V CA -0.345 61.931 62.300 -0.039 0.000 0.981 283 V CB 1.503 33.314 31.823 -0.019 0.000 0.990 283 V HN 1.019 nan 8.190 nan 0.000 0.474 284 A N 3.488 126.283 122.820 -0.041 0.000 2.252 284 A HA 0.639 4.960 4.320 0.001 0.000 0.309 284 A C 0.225 177.795 177.584 -0.024 0.000 1.285 284 A CA -0.344 51.677 52.037 -0.027 0.000 0.900 284 A CB 0.259 19.236 19.000 -0.038 0.000 1.157 284 A HN 0.770 nan 8.150 nan 0.000 0.536 285 T N 4.276 118.817 114.554 -0.023 0.000 2.743 285 T HA 0.456 4.807 4.350 0.001 0.000 0.292 285 T C -0.006 174.655 174.700 -0.064 0.000 0.972 285 T CA -0.036 62.042 62.100 -0.037 0.000 0.967 285 T CB 0.195 69.036 68.868 -0.045 0.000 0.926 285 T HN 0.464 nan 8.240 nan 0.000 0.459 286 L N 4.223 125.441 121.223 -0.008 0.000 2.326 286 L HA 0.482 4.822 4.340 0.001 0.000 0.278 286 L C 0.015 176.913 176.870 0.046 0.000 1.092 286 L CA -0.641 54.243 54.840 0.073 0.000 0.810 286 L CB 0.734 42.911 42.059 0.196 0.000 1.153 286 L HN 0.476 nan 8.230 nan 0.000 0.439 287 L N 5.575 126.848 121.223 0.083 0.000 2.581 287 L HA 0.255 4.595 4.340 0.001 0.000 0.241 287 L C -1.417 175.560 176.870 0.179 0.000 1.265 287 L CA -1.197 53.647 54.840 0.007 0.000 0.954 287 L CB 0.957 42.859 42.059 -0.263 0.000 1.269 287 L HN 0.435 nan 8.230 nan 0.000 0.475 288 P HA -0.159 nan 4.420 nan 0.000 0.216 288 P C 1.255 178.590 177.300 0.059 0.000 1.150 288 P CA 1.408 64.353 63.100 -0.258 0.000 0.837 288 P CB 0.235 31.547 31.700 -0.647 0.000 0.786 289 T N 0.070 114.675 114.554 0.084 0.000 2.833 289 T HA -0.052 4.299 4.350 0.001 0.000 0.269 289 T C 2.098 176.986 174.700 0.312 0.000 1.054 289 T CA 1.580 63.793 62.100 0.189 0.000 1.135 289 T CB -0.672 68.252 68.868 0.095 0.000 0.869 289 T HN 0.131 nan 8.240 nan 0.000 0.466 290 A N 1.017 124.004 122.820 0.278 0.000 1.897 290 A HA 0.067 4.388 4.320 0.001 0.000 0.215 290 A C 1.979 179.753 177.584 0.317 0.000 1.181 290 A CA 0.978 53.196 52.037 0.301 0.000 0.620 290 A CB -0.917 18.298 19.000 0.360 0.000 0.821 290 A HN 0.487 nan 8.150 nan 0.000 0.443 291 F N -0.293 119.800 119.950 0.238 0.000 2.126 291 F HA -0.238 4.289 4.527 0.000 0.000 0.299 291 F C 2.119 178.024 175.800 0.174 0.000 1.096 291 F CA 2.076 60.218 58.000 0.235 0.000 1.255 291 F CB -0.469 38.744 39.000 0.356 0.000 0.997 291 F HN 0.429 nan 8.300 nan 0.000 0.479 292 Y N -0.359 120.044 120.300 0.173 0.000 2.133 292 Y HA -0.215 4.335 4.550 0.001 0.000 0.287 292 Y C 2.125 178.051 175.900 0.044 0.000 1.134 292 Y CA 1.902 60.042 58.100 0.067 0.000 1.133 292 Y CB -1.375 37.158 38.460 0.123 0.000 0.987 292 Y HN 0.113 nan 8.280 nan 0.000 0.502 293 F N 0.712 120.310 119.950 -0.587 0.000 2.216 293 F HA -0.097 4.431 4.527 0.001 0.000 0.300 293 F C 1.629 177.191 175.800 -0.395 0.000 1.085 293 F CA 1.357 58.958 58.000 -0.665 0.000 1.326 293 F CB -0.306 38.530 39.000 -0.273 0.000 1.027 293 F HN 0.121 nan 8.300 nan 0.000 0.497 294 L N -0.005 121.074 121.223 -0.240 0.000 2.591 294 L HA 0.007 4.347 4.340 0.001 0.000 0.228 294 L C 0.819 177.503 176.870 -0.309 0.000 1.133 294 L CA 0.309 54.999 54.840 -0.251 0.000 0.880 294 L CB -0.536 41.464 42.059 -0.099 0.000 1.033 294 L HN 0.040 nan 8.230 nan 0.000 0.450 295 K N 0.432 120.596 120.400 -0.394 0.000 3.016 295 K HA -0.229 4.091 4.320 0.001 0.000 0.262 295 K C 0.329 176.709 176.600 -0.366 0.000 1.043 295 K CA 0.479 56.551 56.287 -0.359 0.000 0.761 295 K CB -1.132 31.204 32.500 -0.273 0.000 1.230 295 K HN 0.238 nan 8.250 nan 0.000 0.485 296 E N 0.612 120.488 120.200 -0.540 0.000 2.404 296 E HA 0.078 4.429 4.350 0.001 0.000 0.261 296 E C 1.157 177.445 176.600 -0.520 0.000 1.074 296 E CA 0.982 57.096 56.400 -0.477 0.000 0.917 296 E CB 0.784 30.229 29.700 -0.424 0.000 0.965 296 E HN 0.249 nan 8.360 nan 0.000 0.433 297 T N -0.132 114.356 114.554 -0.110 0.000 2.954 297 T HA 0.181 4.532 4.350 0.001 0.000 0.252 297 T C 0.420 175.252 174.700 0.220 0.000 0.983 297 T CA -0.280 61.866 62.100 0.077 0.000 0.941 297 T CB -0.018 68.874 68.868 0.038 0.000 1.141 297 T HN 0.234 nan 8.240 nan 0.000 0.500 298 K N 2.526 123.021 120.400 0.160 0.000 2.292 298 K HA 0.447 4.767 4.320 0.001 0.000 0.290 298 K C -0.550 176.099 176.600 0.081 0.000 1.083 298 K CA -0.586 55.705 56.287 0.007 0.000 0.918 298 K CB -0.455 31.854 32.500 -0.319 0.000 1.089 298 K HN 0.326 nan 8.250 nan 0.000 0.473 299 L N 7.208 128.424 121.223 -0.013 0.000 2.397 299 L HA 0.341 4.682 4.340 0.001 0.000 0.271 299 L C -1.655 174.988 176.870 -0.378 0.000 1.148 299 L CA -1.971 52.715 54.840 -0.255 0.000 0.825 299 L CB 0.540 42.457 42.059 -0.238 0.000 1.117 299 L HN 0.645 nan 8.230 nan 0.000 0.456 300 P HA 0.078 nan 4.420 nan 0.000 0.272 300 P C -2.447 174.633 177.300 -0.365 0.000 1.223 300 P CA -1.478 61.347 63.100 -0.458 0.000 0.784 300 P CB -0.067 31.273 31.700 -0.600 0.000 0.923 301 P HA 0.011 nan 4.420 nan 0.000 0.231 301 P C 1.147 178.358 177.300 -0.149 0.000 1.756 301 P CA 0.023 63.029 63.100 -0.157 0.000 0.990 301 P CB -0.369 31.274 31.700 -0.095 0.000 1.973 302 V N 1.696 121.493 119.914 -0.195 0.000 2.255 302 V HA -0.249 3.872 4.120 0.001 0.000 0.247 302 V C 2.637 178.678 176.094 -0.087 0.000 1.051 302 V CA 1.884 64.096 62.300 -0.146 0.000 1.018 302 V CB -0.790 30.942 31.823 -0.152 0.000 0.641 302 V HN 0.140 nan 8.190 nan 0.000 0.445 303 V N 0.257 120.124 119.914 -0.077 0.000 2.282 303 V HA -0.321 3.799 4.120 0.001 0.000 0.249 303 V C 2.687 178.755 176.094 -0.044 0.000 1.057 303 V CA 2.310 64.579 62.300 -0.050 0.000 1.032 303 V CB -1.156 30.641 31.823 -0.043 0.000 0.645 303 V HN 0.588 nan 8.190 nan 0.000 0.447 304 A N -0.711 122.079 122.820 -0.049 0.000 1.930 304 A HA -0.115 4.205 4.320 0.001 0.000 0.217 304 A C 2.205 179.766 177.584 -0.038 0.000 1.175 304 A CA 1.596 53.610 52.037 -0.038 0.000 0.627 304 A CB -0.478 18.500 19.000 -0.036 0.000 0.815 304 A HN 0.508 nan 8.150 nan 0.000 0.443 305 L N -1.172 120.021 121.223 -0.050 0.000 2.083 305 L HA -0.170 4.171 4.340 0.001 0.000 0.209 305 L C 2.903 179.745 176.870 -0.046 0.000 1.083 305 L CA 1.235 56.045 54.840 -0.049 0.000 0.752 305 L CB -0.421 41.600 42.059 -0.063 0.000 0.899 305 L HN 0.362 nan 8.230 nan 0.000 0.433 306 R N 0.158 120.633 120.500 -0.043 0.000 2.066 306 R HA -0.151 4.190 4.340 0.001 0.000 0.232 306 R C 2.321 178.604 176.300 -0.028 0.000 1.131 306 R CA 1.299 57.379 56.100 -0.035 0.000 0.955 306 R CB -0.164 30.119 30.300 -0.028 0.000 0.851 306 R HN 0.315 nan 8.270 nan 0.000 0.432 307 K N -0.002 120.382 120.400 -0.025 0.000 2.152 307 K HA -0.099 4.222 4.320 0.001 0.000 0.206 307 K C 1.826 178.415 176.600 -0.018 0.000 1.048 307 K CA 1.410 57.685 56.287 -0.019 0.000 0.933 307 K CB -0.024 32.465 32.500 -0.018 0.000 0.721 307 K HN 0.142 nan 8.250 nan 0.000 0.447 308 A N 0.114 122.922 122.820 -0.020 0.000 2.208 308 A HA 0.178 4.498 4.320 0.001 0.000 0.209 308 A C 1.385 178.958 177.584 -0.019 0.000 1.161 308 A CA 0.794 52.822 52.037 -0.015 0.000 0.782 308 A CB -0.211 18.780 19.000 -0.014 0.000 0.816 308 A HN 0.399 nan 8.150 nan 0.000 0.477 309 G N -1.132 107.652 108.800 -0.028 0.000 2.143 309 G HA2 -0.200 3.760 3.960 0.001 0.000 0.248 309 G HA3 -0.200 3.760 3.960 0.001 0.000 0.248 309 G C 0.149 175.014 174.900 -0.059 0.000 0.991 309 G CA 0.207 45.285 45.100 -0.036 0.000 0.689 309 G HN 0.762 nan 8.290 nan 0.000 0.522 310 V N 3.105 122.981 119.914 -0.064 0.000 2.470 310 V HA 0.338 4.459 4.120 0.001 0.000 0.276 310 V C -0.158 175.844 176.094 -0.154 0.000 1.040 310 V CA -0.818 61.430 62.300 -0.087 0.000 1.008 310 V CB 0.933 32.720 31.823 -0.060 0.000 0.990 310 V HN 0.379 nan 8.190 nan 0.000 0.477 314 V N 0.852 120.800 119.914 0.056 0.000 2.588 314 V HA 0.845 4.965 4.120 0.001 0.000 0.304 314 V C 0.071 176.180 176.094 0.024 0.000 1.042 314 V CA -0.059 62.264 62.300 0.038 0.000 0.877 314 V CB 1.693 33.539 31.823 0.038 0.000 0.996 314 V HN 1.333 nan 8.190 nan 0.000 0.425 315 S N 1.940 117.643 115.700 0.004 0.000 2.618 315 S HA 0.461 4.932 4.470 0.001 0.000 0.277 315 S C 1.075 175.679 174.600 0.007 0.000 1.138 315 S CA 0.189 58.398 58.200 0.015 0.000 0.844 315 S CB 2.187 65.408 63.200 0.035 0.000 1.127 315 S HN 1.008 nan 8.310 nan 0.000 0.474 316 S N 1.583 117.307 115.700 0.040 0.000 2.406 316 S HA 0.021 4.491 4.470 0.001 0.000 0.228 316 S C 0.683 175.331 174.600 0.080 0.000 1.020 316 S CA 1.571 59.800 58.200 0.048 0.000 0.965 316 S CB -0.654 62.580 63.200 0.057 0.000 0.798 316 S HN 1.051 nan 8.310 nan 0.000 0.488 317 D N 0.417 120.901 120.400 0.141 0.000 2.837 317 D HA -0.167 4.474 4.640 0.001 0.000 0.230 317 D C -0.596 175.866 176.300 0.269 0.000 1.152 317 D CA 0.432 54.591 54.000 0.265 0.000 0.736 317 D CB -2.335 38.528 40.800 0.104 0.000 1.084 317 D HN 0.689 nan 8.370 nan 0.000 0.429 318 I N 0.792 121.496 120.570 0.223 0.000 2.919 318 I HA -0.081 4.089 4.170 0.001 0.000 0.299 318 I C 0.901 177.161 176.117 0.238 0.000 1.221 318 I CA 1.087 62.496 61.300 0.183 0.000 1.424 318 I CB -0.215 37.900 38.000 0.191 0.000 1.358 318 I HN 0.402 nan 8.210 nan 0.000 0.551 319 N N 6.450 125.184 118.700 0.056 0.000 2.710 319 N HA 0.267 5.008 4.740 0.001 0.000 0.257 319 N C -2.370 172.913 175.510 -0.379 0.000 1.140 319 N CA -1.325 51.669 53.050 -0.093 0.000 0.953 319 N CB 1.640 40.041 38.487 -0.142 0.000 1.664 319 N HN 0.036 nan 8.380 nan 0.000 0.497 320 P HA -0.119 nan 4.420 nan 0.000 0.217 320 P C 0.816 177.871 177.300 -0.408 0.000 1.148 320 P CA 2.175 64.772 63.100 -0.838 0.000 0.834 320 P CB 0.025 30.983 31.700 -1.235 0.000 0.783 321 G N -2.311 106.327 108.800 -0.271 0.000 2.784 321 G HA2 0.030 3.991 3.960 0.001 0.000 0.208 321 G HA3 0.030 3.991 3.960 0.001 0.000 0.208 321 G C 1.346 176.258 174.900 0.020 0.000 1.120 321 G CA 0.512 45.550 45.100 -0.104 0.000 0.774 321 G HN 0.217 nan 8.290 nan 0.000 0.528 322 T N 0.039 114.585 114.554 -0.014 0.000 3.026 322 T HA 0.483 4.833 4.350 0.001 0.000 0.245 322 T C 0.860 175.608 174.700 0.080 0.000 1.004 322 T CA 0.847 63.011 62.100 0.108 0.000 1.069 322 T CB 0.418 69.334 68.868 0.080 0.000 1.005 322 T HN 0.278 nan 8.240 nan 0.000 0.472 323 A N 2.566 125.330 122.820 -0.093 0.000 3.266 323 A HA 0.510 4.831 4.320 0.001 0.000 0.310 323 A C -2.491 174.947 177.584 -0.243 0.000 1.066 323 A CA -0.991 50.961 52.037 -0.142 0.000 0.839 323 A CB 0.775 19.796 19.000 0.034 0.000 1.192 323 A HN 0.072 nan 8.150 nan 0.000 0.496 324 P HA 0.124 nan 4.420 nan 0.000 0.269 324 P C -0.435 176.723 177.300 -0.238 0.000 1.461 324 P CA 0.348 63.217 63.100 -0.385 0.000 0.809 324 P CB -0.346 31.006 31.700 -0.580 0.000 1.503 325 I N 0.135 120.609 120.570 -0.159 0.000 2.354 325 I HA 0.084 4.255 4.170 0.001 0.000 0.286 325 I C 0.387 176.490 176.117 -0.024 0.000 1.007 325 I CA -0.730 60.520 61.300 -0.084 0.000 1.167 325 I CB 2.030 39.986 38.000 -0.074 0.000 1.320 325 I HN -0.315 nan 8.210 nan 0.000 0.458 326 V N 5.210 125.120 119.914 -0.007 0.000 2.153 326 V HA 0.399 4.520 4.120 0.001 0.000 0.250 326 V C 0.357 176.454 176.094 0.006 0.000 1.334 326 V CA 0.057 62.367 62.300 0.017 0.000 1.249 326 V CB -0.532 31.305 31.823 0.022 0.000 1.371 326 V HN 0.764 nan 8.190 nan 0.000 0.498 327 S N 2.997 118.701 115.700 0.006 0.000 2.605 327 S HA 0.373 4.844 4.470 0.001 0.000 0.279 327 S C -0.111 174.493 174.600 0.007 0.000 1.166 327 S CA -0.535 57.667 58.200 0.003 0.000 0.975 327 S CB 1.631 64.822 63.200 -0.014 0.000 1.111 327 S HN 0.376 nan 8.310 nan 0.000 0.465 328 L N 5.497 126.732 121.223 0.019 0.000 2.209 328 L HA 0.430 4.771 4.340 0.001 0.000 0.207 328 L C 1.294 178.169 176.870 0.009 0.000 1.094 328 L CA 1.281 56.133 54.840 0.021 0.000 0.790 328 L CB -0.335 41.747 42.059 0.037 0.000 0.932 328 L HN 0.688 nan 8.230 nan 0.000 0.447 336 C N 0.523 119.796 119.300 -0.046 0.000 2.462 336 C HA 0.020 4.481 4.460 0.001 0.000 0.278 336 C C 2.898 177.884 174.990 -0.005 0.000 1.253 336 C CA 2.058 61.075 59.018 -0.001 0.000 1.713 336 C CB -1.193 26.556 27.740 0.015 0.000 2.049 336 C HN 0.676 nan 8.230 nan 0.000 0.477 337 T N 1.576 116.106 114.554 -0.040 0.000 2.737 337 T HA -0.067 4.284 4.350 0.001 0.000 0.265 337 T C 1.687 176.379 174.700 -0.013 0.000 1.038 337 T CA 1.305 63.389 62.100 -0.028 0.000 1.144 337 T CB -0.249 68.587 68.868 -0.053 0.000 0.866 337 T HN 0.437 nan 8.240 nan 0.000 0.434 338 L N -0.907 120.269 121.223 -0.078 0.000 2.202 338 L HA 0.193 4.534 4.340 0.001 0.000 0.205 338 L C 1.764 178.707 176.870 0.123 0.000 1.083 338 L CA 0.742 55.558 54.840 -0.040 0.000 0.790 338 L CB -0.152 41.789 42.059 -0.195 0.000 0.942 338 L HN 0.191 nan 8.230 nan 0.000 0.452 339 F N -0.044 119.833 119.950 -0.122 0.000 2.721 339 F HA 0.361 4.889 4.527 0.001 0.000 0.301 339 F C 1.763 177.511 175.800 -0.087 0.000 1.096 339 F CA -0.002 57.908 58.000 -0.151 0.000 1.308 339 F CB -0.526 38.375 39.000 -0.166 0.000 1.086 339 F HN 0.157 nan 8.300 nan 0.000 0.587 340 G N 0.903 109.778 108.800 0.125 0.000 2.143 340 G HA2 -0.289 3.671 3.960 0.001 0.000 0.249 340 G HA3 -0.289 3.671 3.960 0.001 0.000 0.249 340 G C 0.142 175.075 174.900 0.055 0.000 0.981 340 G CA -0.111 45.029 45.100 0.067 0.000 0.665 340 G HN 0.185 nan 8.290 nan 0.000 0.528 341 L N 1.484 122.749 121.223 0.070 0.000 2.464 341 L HA 0.577 4.917 4.340 0.001 0.000 0.264 341 L C 1.605 178.496 176.870 0.035 0.000 1.199 341 L CA 0.872 55.742 54.840 0.050 0.000 0.818 341 L CB 0.700 42.797 42.059 0.063 0.000 1.102 341 L HN 0.430 nan 8.230 nan 0.000 0.473 342 T N -1.394 113.174 114.554 0.022 0.000 2.918 342 T HA 0.375 4.725 4.350 0.001 0.000 0.283 342 T C -2.001 172.716 174.700 0.029 0.000 1.001 342 T CA -1.748 60.364 62.100 0.019 0.000 1.041 342 T CB 1.257 70.122 68.868 -0.004 0.000 1.028 342 T HN 0.382 nan 8.240 nan 0.000 0.511 343 P HA -0.072 nan 4.420 nan 0.000 0.218 343 P C 1.685 179.039 177.300 0.091 0.000 1.148 343 P CA 0.291 63.457 63.100 0.110 0.000 0.822 343 P CB -0.044 31.761 31.700 0.175 0.000 0.784 344 V N -0.052 119.830 119.914 -0.052 0.000 2.515 344 V HA -0.226 3.894 4.120 0.001 0.000 0.250 344 V C 1.990 177.944 176.094 -0.233 0.000 1.058 344 V CA 1.924 63.968 62.300 -0.427 0.000 1.064 344 V CB -0.770 30.621 31.823 -0.720 0.000 0.675 344 V HN 0.111 nan 8.190 nan 0.000 0.461 345 E N 0.468 120.608 120.200 -0.101 0.000 2.072 345 E HA 0.038 4.389 4.350 0.001 0.000 0.190 345 E C 1.339 177.940 176.600 0.002 0.000 0.982 345 E CA 0.697 57.078 56.400 -0.032 0.000 0.803 345 E CB -0.235 29.470 29.700 0.008 0.000 0.755 345 E HN 0.713 nan 8.360 nan 0.000 0.453 349 G N 0.499 109.274 108.800 -0.042 0.000 2.471 349 G HA2 0.106 4.066 3.960 0.001 0.000 0.219 349 G HA3 0.106 4.066 3.960 0.001 0.000 0.219 349 G C 1.199 176.125 174.900 0.043 0.000 1.125 349 G CA 2.191 47.335 45.100 0.072 0.000 0.775 349 G HN 1.373 nan 8.290 nan 0.000 0.548 350 V N -1.436 118.486 119.914 0.014 0.000 3.483 350 V HA 0.354 4.475 4.120 0.001 0.000 0.301 350 V C 1.264 177.367 176.094 0.016 0.000 1.389 350 V CA 1.142 63.457 62.300 0.025 0.000 1.101 350 V CB -0.282 31.561 31.823 0.034 0.000 0.971 350 V HN 0.357 nan 8.190 nan 0.000 0.434 351 T N -2.331 112.214 114.554 -0.016 0.000 2.964 351 T HA 0.208 4.559 4.350 0.001 0.000 0.161 351 T C 1.635 176.309 174.700 -0.042 0.000 0.859 351 T CA 0.583 62.670 62.100 -0.021 0.000 1.015 351 T CB 0.274 69.128 68.868 -0.024 0.000 2.138 351 T HN 0.183 nan 8.240 nan 0.000 0.367 352 R N 0.635 121.069 120.500 -0.110 0.000 2.115 352 R HA -0.186 4.155 4.340 0.001 0.000 0.239 352 R C 2.460 178.753 176.300 -0.012 0.000 1.133 352 R CA 2.448 58.481 56.100 -0.111 0.000 0.935 352 R CB -0.718 29.444 30.300 -0.230 0.000 0.853 352 R HN 0.720 nan 8.270 nan 0.000 0.433 353 H N -1.310 117.758 119.070 -0.004 0.000 2.423 353 H HA 0.016 4.573 4.556 0.001 0.000 0.297 353 H C 1.975 177.303 175.328 -0.000 0.000 1.075 353 H CA 0.540 56.586 56.048 -0.005 0.000 1.342 353 H CB 0.057 29.815 29.762 -0.007 0.000 1.395 353 H HN 0.417 nan 8.280 nan 0.000 0.530 354 A N 1.264 124.148 122.820 0.107 0.000 1.930 354 A HA -0.063 4.258 4.320 0.001 0.000 0.217 354 A C 2.529 180.140 177.584 0.045 0.000 1.175 354 A CA 1.157 53.233 52.037 0.065 0.000 0.627 354 A CB -0.772 18.255 19.000 0.045 0.000 0.815 354 A HN 0.450 nan 8.150 nan 0.000 0.443 355 A N -0.039 122.803 122.820 0.036 0.000 1.877 355 A HA -0.190 4.130 4.320 0.001 0.000 0.216 355 A C 2.256 179.856 177.584 0.027 0.000 1.186 355 A CA 1.816 53.867 52.037 0.024 0.000 0.620 355 A CB -0.537 18.472 19.000 0.016 0.000 0.822 355 A HN 0.549 nan 8.150 nan 0.000 0.443 356 R N -0.349 120.177 120.500 0.043 0.000 2.091 356 R HA -0.114 4.227 4.340 0.001 0.000 0.238 356 R C 2.216 178.529 176.300 0.022 0.000 1.136 356 R CA 1.455 57.576 56.100 0.035 0.000 0.959 356 R CB -0.430 29.904 30.300 0.055 0.000 0.856 356 R HN 0.435 nan 8.270 nan 0.000 0.437 357 A N 0.636 123.474 122.820 0.030 0.000 2.024 357 A HA -0.091 4.229 4.320 0.001 0.000 0.220 357 A C 1.846 179.433 177.584 0.005 0.000 1.164 357 A CA 1.093 53.140 52.037 0.018 0.000 0.643 357 A CB -0.227 18.791 19.000 0.030 0.000 0.806 357 A HN 0.376 nan 8.150 nan 0.000 0.451 358 L N -1.449 119.777 121.223 0.006 0.000 2.667 358 L HA 0.267 4.608 4.340 0.001 0.000 0.232 358 L C 1.483 178.349 176.870 -0.007 0.000 1.138 358 L CA 0.354 55.191 54.840 -0.005 0.000 0.921 358 L CB -0.108 41.950 42.059 -0.003 0.000 1.180 358 L HN 0.526 nan 8.230 nan 0.000 0.487 359 G N 0.555 109.353 108.800 -0.004 0.000 2.153 359 G HA2 -0.255 3.706 3.960 0.001 0.000 0.252 359 G HA3 -0.255 3.706 3.960 0.001 0.000 0.252 359 G C 0.522 175.420 174.900 -0.003 0.000 0.994 359 G CA 0.163 45.260 45.100 -0.006 0.000 0.698 359 G HN 0.393 nan 8.290 nan 0.000 0.521 360 E N 0.219 120.419 120.200 0.001 0.000 2.496 360 E HA 0.045 4.396 4.350 0.001 0.000 0.200 360 E C 2.284 178.887 176.600 0.006 0.000 1.016 360 E CA 0.425 56.826 56.400 0.002 0.000 0.962 360 E CB 0.091 29.792 29.700 0.001 0.000 1.071 360 E HN 0.848 nan 8.360 nan 0.000 0.457 361 Q N 0.449 120.255 119.800 0.009 0.000 2.308 361 Q HA -0.184 4.157 4.340 0.001 0.000 0.209 361 Q C 0.783 176.788 176.000 0.007 0.000 0.985 361 Q CA 1.292 57.102 55.803 0.012 0.000 0.881 361 Q CB -0.138 28.610 28.738 0.016 0.000 0.917 361 Q HN 0.324 nan 8.270 nan 0.000 0.443 362 E N -0.107 120.096 120.200 0.004 0.000 2.447 362 E HA 0.015 4.365 4.350 0.001 0.000 0.195 362 E C 1.464 178.067 176.600 0.005 0.000 1.028 362 E CA 0.179 56.581 56.400 0.004 0.000 0.876 362 E CB 0.377 30.078 29.700 0.003 0.000 0.885 362 E HN 0.437 nan 8.360 nan 0.000 0.500 363 Q N -0.209 119.593 119.800 0.005 0.000 2.391 363 Q HA 0.293 4.633 4.340 0.001 0.000 0.243 363 Q C 0.914 176.917 176.000 0.006 0.000 0.874 363 Q CA 0.392 56.199 55.803 0.006 0.000 0.950 363 Q CB 1.401 30.141 28.738 0.004 0.000 1.103 363 Q HN 0.159 nan 8.270 nan 0.000 0.544 364 L N -2.005 119.221 121.223 0.004 0.000 2.322 364 L HA 0.715 5.055 4.340 0.001 0.000 0.252 364 L C 0.710 177.582 176.870 0.003 0.000 1.055 364 L CA -0.361 54.481 54.840 0.004 0.000 0.849 364 L CB 2.016 44.076 42.059 0.001 0.000 1.446 364 L HN 0.233 nan 8.230 nan 0.000 0.416 365 G N -0.058 108.744 108.800 0.003 0.000 2.195 365 G HA2 -0.190 3.771 3.960 0.001 0.000 0.246 365 G HA3 -0.190 3.771 3.960 0.001 0.000 0.246 365 G C -0.066 174.826 174.900 -0.013 0.000 0.984 365 G CA -0.061 45.036 45.100 -0.005 0.000 0.633 365 G HN 0.544 nan 8.290 nan 0.000 0.525 366 Q N -0.923 118.871 119.800 -0.010 0.000 2.416 366 Q HA 0.640 4.980 4.340 0.001 0.000 0.281 366 Q C -0.446 175.540 176.000 -0.023 0.000 1.067 366 Q CA -0.955 54.835 55.803 -0.022 0.000 0.809 366 Q CB 2.009 30.730 28.738 -0.027 0.000 1.418 366 Q HN 0.179 nan 8.270 nan 0.000 0.411 367 L N 2.653 123.848 121.223 -0.047 0.000 2.422 367 L HA 0.426 4.767 4.340 0.001 0.000 0.256 367 L C -0.251 176.570 176.870 -0.082 0.000 1.202 367 L CA 0.068 54.862 54.840 -0.077 0.000 1.119 367 L CB -0.309 41.672 42.059 -0.129 0.000 1.383 367 L HN 0.305 nan 8.230 nan 0.000 0.411 368 R N 1.009 121.477 120.500 -0.053 0.000 2.686 368 R HA 0.498 4.839 4.340 0.001 0.000 0.286 368 R C -0.708 175.572 176.300 -0.034 0.000 0.969 368 R CA -1.003 55.069 56.100 -0.047 0.000 0.898 368 R CB 3.011 33.292 30.300 -0.032 0.000 1.183 368 R HN 0.044 nan 8.270 nan 0.000 0.456 369 V N 2.528 122.419 119.914 -0.039 0.000 2.599 369 V HA 0.270 4.391 4.120 0.001 0.000 0.300 369 V C 0.957 177.043 176.094 -0.012 0.000 1.034 369 V CA 1.485 63.766 62.300 -0.033 0.000 1.115 369 V CB 0.536 32.322 31.823 -0.062 0.000 0.934 369 V HN 1.071 nan 8.190 nan 0.000 0.485 373 A N 0.935 123.790 122.820 0.059 0.000 3.037 373 A HA 0.466 4.787 4.320 0.001 0.000 0.272 373 A C -0.741 176.808 177.584 -0.059 0.000 1.723 373 A CA 0.007 52.113 52.037 0.115 0.000 1.413 373 A CB -0.869 18.229 19.000 0.162 0.000 1.112 373 A HN 0.525 nan 8.150 nan 0.000 0.606 374 D N 1.706 122.093 120.400 -0.023 0.000 2.461 374 D HA 0.587 5.227 4.640 0.001 0.000 0.240 374 D C -0.472 175.790 176.300 -0.063 0.000 1.094 374 D CA 0.245 54.152 54.000 -0.155 0.000 0.868 374 D CB 0.639 41.391 40.800 -0.081 0.000 1.062 374 D HN 0.424 nan 8.370 nan 0.000 0.530 375 F N 0.049 119.880 119.950 -0.198 0.000 2.685 375 F HA 0.719 5.247 4.527 0.001 0.000 0.315 375 F C -1.836 173.808 175.800 -0.260 0.000 1.126 375 F CA -1.334 56.540 58.000 -0.210 0.000 0.950 375 F CB 1.175 40.018 39.000 -0.262 0.000 1.360 375 F HN -0.048 nan 8.300 nan 0.000 0.469 376 L N 1.884 123.130 121.223 0.038 0.000 2.401 376 L HA 0.761 5.102 4.340 0.001 0.000 0.266 376 L C -1.220 175.533 176.870 -0.196 0.000 0.991 376 L CA -1.265 53.432 54.840 -0.237 0.000 0.818 376 L CB 2.169 43.954 42.059 -0.456 0.000 1.321 376 L HN 0.561 nan 8.230 nan 0.000 0.413 377 V N 1.091 120.838 119.914 -0.279 0.000 2.370 377 V HA 0.391 4.511 4.120 0.001 0.000 0.283 377 V C -0.801 175.156 176.094 -0.227 0.000 1.023 377 V CA -0.371 61.857 62.300 -0.120 0.000 0.857 377 V CB 1.167 32.985 31.823 -0.009 0.000 0.985 377 V HN 0.583 nan 8.190 nan 0.000 0.443 378 W N 3.082 124.379 121.300 -0.005 0.000 2.481 378 W HA 0.441 5.102 4.660 0.001 0.000 0.369 378 W C 1.053 177.572 176.519 -0.000 0.000 1.235 378 W CA -0.696 56.644 57.345 -0.008 0.000 1.344 378 W CB 0.706 30.151 29.460 -0.025 0.000 1.360 378 W HN 0.630 nan 8.180 nan 0.000 0.658 379 N N 0.139 119.013 118.700 0.289 0.000 2.205 379 N HA 0.043 4.784 4.740 0.001 0.000 0.201 379 N C -0.095 175.496 175.510 0.135 0.000 1.128 379 N CA -0.347 52.801 53.050 0.163 0.000 0.867 379 N CB -0.944 37.614 38.487 0.118 0.000 0.996 379 N HN 0.298 nan 8.380 nan 0.000 0.503 380 C N -1.617 117.775 119.300 0.154 0.000 2.398 380 C HA 0.894 5.354 4.460 0.001 0.000 0.364 380 C C 2.028 177.029 174.990 0.017 0.000 1.219 380 C CA -0.469 58.580 59.018 0.053 0.000 2.312 380 C CB 0.804 28.536 27.740 -0.014 0.000 2.428 380 C HN 0.267 nan 8.230 nan 0.000 0.564 381 G N -0.286 108.514 108.800 -0.001 0.000 2.394 381 G HA2 0.029 3.989 3.960 0.001 0.000 0.215 381 G HA3 0.029 3.989 3.960 0.001 0.000 0.215 381 G C 0.672 175.557 174.900 -0.026 0.000 1.165 381 G CA 0.716 45.815 45.100 -0.002 0.000 0.784 381 G HN 0.932 nan 8.290 nan 0.000 0.535 382 H N 0.165 119.134 119.070 -0.169 0.000 2.572 382 H HA 0.284 4.840 4.556 0.001 0.000 0.359 382 H C -1.690 173.417 175.328 -0.369 0.000 1.134 382 H CA -1.724 54.173 56.048 -0.252 0.000 1.187 382 H CB 2.978 32.608 29.762 -0.220 0.000 1.597 382 H HN -0.094 nan 8.280 nan 0.000 0.524 383 P HA -0.120 nan 4.420 nan 0.000 0.221 383 P C 1.015 178.065 177.300 -0.417 0.000 1.145 383 P CA 1.243 63.914 63.100 -0.714 0.000 0.795 383 P CB 0.083 31.133 31.700 -1.083 0.000 0.775 384 A N 0.819 123.586 122.820 -0.087 0.000 2.019 384 A HA -0.193 4.128 4.320 0.001 0.000 0.219 384 A C 2.165 179.751 177.584 0.002 0.000 1.164 384 A CA 1.365 53.458 52.037 0.093 0.000 0.644 384 A CB -1.107 17.951 19.000 0.097 0.000 0.805 384 A HN 0.229 nan 8.150 nan 0.000 0.449 385 E N -0.040 120.118 120.200 -0.069 0.000 2.204 385 E HA -0.124 4.227 4.350 0.001 0.000 0.195 385 E C 1.693 178.238 176.600 -0.091 0.000 0.990 385 E CA 0.819 57.182 56.400 -0.061 0.000 0.821 385 E CB -0.305 29.334 29.700 -0.101 0.000 0.750 385 E HN 0.670 nan 8.360 nan 0.000 0.477 386 L N 0.515 121.605 121.223 -0.222 0.000 2.187 386 L HA -0.160 4.181 4.340 0.001 0.000 0.213 386 L C 2.179 178.988 176.870 -0.100 0.000 1.100 386 L CA 0.810 55.487 54.840 -0.272 0.000 0.765 386 L CB -0.192 41.633 42.059 -0.390 0.000 0.904 386 L HN 0.050 nan 8.230 nan 0.000 0.437 387 S N -2.195 113.495 115.700 -0.017 0.000 2.486 387 S HA -0.028 4.442 4.470 0.001 0.000 0.220 387 S C 1.531 176.161 174.600 0.050 0.000 1.011 387 S CA 0.010 58.223 58.200 0.021 0.000 0.921 387 S CB 0.061 63.294 63.200 0.055 0.000 0.785 387 S HN 0.328 nan 8.310 nan 0.000 0.517 388 Y N 1.680 121.944 120.300 -0.060 0.000 2.159 388 Y HA 0.338 4.889 4.550 0.001 0.000 0.285 388 Y C 0.603 176.472 175.900 -0.052 0.000 1.106 388 Y CA 0.442 58.512 58.100 -0.051 0.000 1.095 388 Y CB -0.213 38.217 38.460 -0.049 0.000 1.015 388 Y HN 0.142 nan 8.280 nan 0.000 0.491 389 L N 2.398 123.683 121.223 0.103 0.000 2.313 389 L HA 0.283 4.623 4.340 0.001 0.000 0.282 389 L C -1.043 175.808 176.870 -0.031 0.000 1.092 389 L CA -0.025 54.820 54.840 0.008 0.000 0.831 389 L CB 0.081 42.193 42.059 0.088 0.000 1.159 389 L HN 0.082 nan 8.230 nan 0.000 0.442 390 I N 4.467 124.999 120.570 -0.064 0.000 2.693 390 I HA 0.503 4.673 4.170 0.001 0.000 0.303 390 I C 1.170 177.272 176.117 -0.025 0.000 1.025 390 I CA -0.399 60.873 61.300 -0.046 0.000 1.086 390 I CB 1.023 38.978 38.000 -0.075 0.000 1.268 390 I HN 0.725 nan 8.210 nan 0.000 0.440 391 G N 3.731 112.528 108.800 -0.005 0.000 2.136 391 G HA2 -0.138 3.823 3.960 0.001 0.000 0.242 391 G HA3 -0.138 3.823 3.960 0.001 0.000 0.242 391 G C -0.251 174.660 174.900 0.018 0.000 0.989 391 G CA -0.024 45.078 45.100 0.003 0.000 0.682 391 G HN 0.458 nan 8.290 nan 0.000 0.522 392 V N 0.853 120.789 119.914 0.037 0.000 2.540 392 V HA 0.439 4.559 4.120 0.001 0.000 0.302 392 V C -0.342 175.799 176.094 0.079 0.000 1.035 392 V CA -1.293 61.036 62.300 0.048 0.000 0.873 392 V CB 1.867 33.719 31.823 0.049 0.000 0.992 392 V HN 0.209 nan 8.190 nan 0.000 0.428 393 D N 3.790 124.227 120.400 0.061 0.000 2.417 393 D HA 0.223 4.863 4.640 0.001 0.000 0.250 393 D C 0.490 176.848 176.300 0.098 0.000 1.166 393 D CA 0.434 54.472 54.000 0.064 0.000 0.881 393 D CB 1.272 42.084 40.800 0.019 0.000 1.164 393 D HN 0.617 nan 8.370 nan 0.000 0.467 394 Q N 1.067 120.965 119.800 0.164 0.000 2.064 394 Q HA 0.223 4.564 4.340 0.001 0.000 0.213 394 Q C -0.216 175.886 176.000 0.170 0.000 0.779 394 Q CA -0.189 55.755 55.803 0.235 0.000 1.032 394 Q CB 0.874 29.852 28.738 0.400 0.000 1.203 394 Q HN 0.342 nan 8.270 nan 0.000 0.457 395 L N 0.660 121.837 121.223 -0.077 0.000 2.326 395 L HA 0.205 4.546 4.340 0.001 0.000 0.278 395 L C 0.954 177.729 176.870 -0.158 0.000 1.092 395 L CA -0.215 54.435 54.840 -0.317 0.000 0.810 395 L CB 1.238 43.025 42.059 -0.453 0.000 1.153 395 L HN -0.020 nan 8.230 nan 0.000 0.439 396 V N 0.878 120.705 119.914 -0.145 0.000 3.263 396 V HA 0.088 4.209 4.120 0.001 0.000 0.248 396 V C 0.537 176.599 176.094 -0.054 0.000 1.145 396 V CA 0.553 62.823 62.300 -0.050 0.000 1.107 396 V CB 1.026 32.855 31.823 0.010 0.000 0.797 396 V HN 0.784 nan 8.190 nan 0.000 0.467 397 S N 0.174 115.799 115.700 -0.124 0.000 2.562 397 S HA 0.574 5.044 4.470 0.001 0.000 0.274 397 S C -1.052 173.409 174.600 -0.232 0.000 1.160 397 S CA -0.733 57.410 58.200 -0.095 0.000 0.933 397 S CB 1.624 64.852 63.200 0.047 0.000 1.100 397 S HN 0.354 nan 8.310 nan 0.000 0.468 398 R N 4.088 124.449 120.500 -0.232 0.000 2.422 398 R HA 0.661 5.002 4.340 0.001 0.000 0.307 398 R C -1.825 174.277 176.300 -0.330 0.000 1.004 398 R CA -0.448 55.468 56.100 -0.308 0.000 0.882 398 R CB 1.105 31.247 30.300 -0.262 0.000 1.164 398 R HN 0.482 nan 8.270 nan 0.000 0.489 399 V N 5.127 124.709 119.914 -0.553 0.000 2.417 399 V HA 0.452 4.573 4.120 0.001 0.000 0.291 399 V C -0.391 175.367 176.094 -0.559 0.000 1.024 399 V CA -0.742 61.162 62.300 -0.660 0.000 0.861 399 V CB 1.749 32.768 31.823 -1.339 0.000 0.985 399 V HN 0.451 nan 8.190 nan 0.000 0.436 400 V N 4.352 124.070 119.914 -0.325 0.000 2.487 400 V HA 0.480 4.601 4.120 0.001 0.000 0.298 400 V C 0.709 176.713 176.094 -0.151 0.000 1.028 400 V CA -0.657 61.513 62.300 -0.216 0.000 0.860 400 V CB 1.287 33.024 31.823 -0.143 0.000 0.991 400 V HN 1.053 nan 8.190 nan 0.000 0.427 401 N N 3.315 121.944 118.700 -0.119 0.000 2.735 401 N HA -0.239 4.502 4.740 0.001 0.000 0.248 401 N C 1.100 176.586 175.510 -0.040 0.000 1.083 401 N CA 0.921 53.935 53.050 -0.061 0.000 0.703 401 N CB -0.552 37.910 38.487 -0.043 0.000 1.005 401 N HN 1.548 nan 8.380 nan 0.000 0.550 402 G N -0.796 107.962 108.800 -0.070 0.000 2.179 402 G HA2 -0.298 3.663 3.960 0.001 0.000 0.260 402 G HA3 -0.298 3.663 3.960 0.001 0.000 0.260 402 G C -0.215 174.734 174.900 0.082 0.000 0.977 402 G CA 0.842 45.962 45.100 0.034 0.000 0.641 402 G HN 0.618 nan 8.290 nan 0.000 0.533 403 E N 0.262 120.455 120.200 -0.011 0.000 2.195 403 E HA 0.479 4.830 4.350 0.001 0.000 0.271 403 E C -0.259 176.335 176.600 -0.010 0.000 0.923 403 E CA -0.876 55.543 56.400 0.032 0.000 0.790 403 E CB 1.416 31.124 29.700 0.013 0.000 1.155 403 E HN 0.208 nan 8.360 nan 0.000 0.402 404 E N 0.993 121.232 120.200 0.066 0.000 2.376 404 E HA -0.009 4.342 4.350 0.001 0.000 0.266 404 E C 0.364 176.960 176.600 -0.006 0.000 1.009 404 E CA 0.424 56.847 56.400 0.040 0.000 0.902 404 E CB 0.707 30.472 29.700 0.109 0.000 0.972 404 E HN 0.581 nan 8.360 nan 0.000 0.439 405 T N 1.614 116.135 114.554 -0.054 0.000 2.959 405 T HA 0.060 4.411 4.350 0.001 0.000 0.254 405 T C 1.310 175.969 174.700 -0.068 0.000 1.003 405 T CA -0.282 61.784 62.100 -0.056 0.000 0.950 405 T CB -0.006 68.808 68.868 -0.091 0.000 1.090 405 T HN 0.310 nan 8.240 nan 0.000 0.503 406 L N 1.168 122.338 121.223 -0.088 0.000 2.265 406 L HA 0.269 4.609 4.340 0.001 0.000 0.215 406 L C 0.559 177.300 176.870 -0.214 0.000 1.117 406 L CA 1.494 56.236 54.840 -0.164 0.000 0.782 406 L CB -0.924 41.054 42.059 -0.136 0.000 0.914 406 L HN 0.530 nan 8.230 nan 0.000 0.441 407 H N 0.000 119.060 119.070 -0.017 0.000 2.539 407 H HA 0.000 4.557 4.556 0.001 0.000 0.296 407 H CA 0.000 56.044 56.048 -0.008 0.000 1.023 407 H CB 0.000 29.760 29.762 -0.003 0.000 1.292 407 H HN 0.000 nan 8.280 nan 0.000 0.496