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 1onw_1_B DATA FIRST_RESID 1 DATA SEQUENCE MIDYTAAGFT LLQGAHLYAP EDRGICDVLV ANGKIIAVAS NIPSDIVPNC DATA SEQUENCE TVVDLSGQIL CPGFIDQHVH LIGGGGEAGP TTRTPEVALS RLTEAGVTSV DATA SEQUENCE VGLLGTDSIS RHPESLLAKT RALNEEGISA WMLTGAYHVP SRTITGSVEK DATA SEQUENCE DVAIIDRVIG VXCAISDHRS AAPDVYHLAN MAAESRVGGL LGGKPGVTVF DATA SEQUENCE HMGDSKKALQ PIYDLLENCD VPISKLLPTH VNRNVPLFEQ ALEFARKGGT DATA SEQUENCE IDITSSIDEP VAPAEGIARA VQAGIPLARV TLSSDGNGSQ PXXXXXXXXX DATA SEQUENCE HIGVAGFETL LETVQVLVKD YDFSISDALR PLTSSVAGFL NLTGKGEILP DATA SEQUENCE GNDADLLVMT PELRIEQVYA RGKLMVKDGK ACVKGTFET VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.283 176.300 -0.029 0.000 1.140 1 M CA 0.000 55.307 55.300 0.012 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 I N 1.934 122.465 120.570 -0.064 0.000 2.752 2 I HA -0.083 4.087 4.170 -0.000 0.000 0.289 2 I C 0.837 176.722 176.117 -0.387 0.000 1.197 2 I CA 0.531 61.662 61.300 -0.282 0.000 1.432 2 I CB 0.265 37.997 38.000 -0.447 0.000 1.359 2 I HN 0.447 nan 8.210 nan 0.000 0.571 3 D N 6.477 126.655 120.400 -0.370 0.000 2.347 3 D HA 0.138 4.778 4.640 -0.000 0.000 0.235 3 D C -0.294 175.840 176.300 -0.277 0.000 1.149 3 D CA -0.058 53.807 54.000 -0.224 0.000 0.850 3 D CB 0.392 41.123 40.800 -0.115 0.000 1.061 3 D HN 0.332 nan 8.370 nan 0.000 0.487 4 Y N 1.371 121.695 120.300 0.040 0.000 2.555 4 Y HA 0.066 4.616 4.550 -0.000 0.000 0.259 4 Y C 2.350 178.237 175.900 -0.022 0.000 1.179 4 Y CA -0.037 58.090 58.100 0.046 0.000 1.230 4 Y CB 0.369 38.926 38.460 0.162 0.000 1.146 4 Y HN 0.427 nan 8.280 nan 0.000 0.526 5 T N -2.695 111.908 114.554 0.082 0.000 2.881 5 T HA -0.212 4.138 4.350 -0.000 0.000 0.270 5 T C 2.147 176.814 174.700 -0.056 0.000 1.068 5 T CA 1.080 63.192 62.100 0.020 0.000 1.131 5 T CB -0.221 68.660 68.868 0.021 0.000 0.871 5 T HN 0.345 nan 8.240 nan 0.000 0.479 6 A N 1.483 124.263 122.820 -0.066 0.000 2.076 6 A HA 0.309 4.629 4.320 -0.000 0.000 0.220 6 A C 2.723 180.206 177.584 -0.169 0.000 1.160 6 A CA 1.637 53.620 52.037 -0.091 0.000 0.653 6 A CB -1.209 17.749 19.000 -0.070 0.000 0.801 6 A HN 0.821 nan 8.150 nan 0.000 0.455 7 A N -1.242 121.395 122.820 -0.306 0.000 2.066 7 A HA 0.356 4.676 4.320 -0.000 0.000 0.218 7 A C 1.926 179.208 177.584 -0.504 0.000 1.157 7 A CA 1.262 52.937 52.037 -0.602 0.000 0.670 7 A CB -1.114 17.045 19.000 -1.402 0.000 0.804 7 A HN 1.904 nan 8.150 nan 0.000 0.453 8 G N -0.909 107.715 108.800 -0.293 0.000 2.323 8 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.292 8 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.292 8 G C -0.038 174.834 174.900 -0.046 0.000 1.040 8 G CA 0.068 45.098 45.100 -0.116 0.000 0.942 8 G HN 0.423 nan 8.290 nan 0.000 0.506 9 F N 0.722 120.682 119.950 0.017 0.000 2.571 9 F HA 0.335 4.862 4.527 -0.000 0.000 0.384 9 F C 1.178 176.974 175.800 -0.007 0.000 1.058 9 F CA 0.468 58.467 58.000 -0.002 0.000 1.200 9 F CB 0.799 39.794 39.000 -0.008 0.000 1.077 9 F HN 0.069 nan 8.300 nan 0.000 0.558 10 T N 5.416 120.075 114.554 0.175 0.000 2.881 10 T HA 0.424 4.774 4.350 -0.000 0.000 0.290 10 T C -1.218 173.484 174.700 0.003 0.000 1.000 10 T CA -0.583 61.554 62.100 0.062 0.000 0.978 10 T CB 1.647 70.518 68.868 0.005 0.000 0.997 10 T HN 0.319 nan 8.240 nan 0.000 0.443 11 L N 4.709 125.923 121.223 -0.015 0.000 2.316 11 L HA 0.590 4.930 4.340 -0.000 0.000 0.280 11 L C -1.281 175.558 176.870 -0.052 0.000 1.006 11 L CA -0.584 54.232 54.840 -0.040 0.000 0.836 11 L CB 0.630 42.666 42.059 -0.038 0.000 1.221 11 L HN 0.603 nan 8.230 nan 0.000 0.418 12 L N 5.310 126.486 121.223 -0.078 0.000 2.268 12 L HA 0.481 4.821 4.340 -0.000 0.000 0.289 12 L C 0.010 176.857 176.870 -0.037 0.000 1.064 12 L CA -0.146 54.651 54.840 -0.071 0.000 0.824 12 L CB 0.864 42.849 42.059 -0.123 0.000 1.202 12 L HN 0.657 nan 8.230 nan 0.000 0.433 13 Q N 1.337 121.126 119.800 -0.018 0.000 2.274 13 Q HA 0.469 4.809 4.340 -0.000 0.000 0.260 13 Q C 0.861 176.861 176.000 0.000 0.000 0.974 13 Q CA 0.142 55.938 55.803 -0.012 0.000 0.876 13 Q CB 1.993 30.724 28.738 -0.011 0.000 1.297 13 Q HN 0.815 nan 8.270 nan 0.000 0.446 14 G N 1.259 110.056 108.800 -0.005 0.000 2.155 14 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.257 14 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.257 14 G C 0.152 175.063 174.900 0.018 0.000 0.983 14 G CA 0.263 45.363 45.100 0.000 0.000 0.676 14 G HN 0.789 nan 8.290 nan 0.000 0.528 15 A N -0.776 122.064 122.820 0.033 0.000 2.272 15 A HA 0.684 5.003 4.320 -0.000 0.000 0.275 15 A C 0.190 177.830 177.584 0.093 0.000 1.096 15 A CA 0.178 52.261 52.037 0.075 0.000 0.822 15 A CB 0.414 19.467 19.000 0.089 0.000 1.088 15 A HN 0.911 nan 8.150 nan 0.000 0.495 16 H N 0.188 119.278 119.070 0.032 0.000 2.782 16 H HA 0.418 4.974 4.556 -0.000 0.000 0.285 16 H C -0.671 174.626 175.328 -0.053 0.000 1.093 16 H CA -0.687 55.348 56.048 -0.020 0.000 1.410 16 H CB 0.466 30.262 29.762 0.057 0.000 1.439 16 H HN 0.504 nan 8.280 nan 0.000 0.469 17 L N 6.677 127.968 121.223 0.112 0.000 2.305 17 L HA 0.212 4.552 4.340 -0.000 0.000 0.281 17 L C -1.618 175.135 176.870 -0.195 0.000 1.085 17 L CA -0.179 54.672 54.840 0.019 0.000 0.813 17 L CB 0.117 42.177 42.059 0.001 0.000 1.157 17 L HN 0.600 nan 8.230 nan 0.000 0.436 18 Y N 4.557 124.914 120.300 0.095 0.000 2.376 18 Y HA 0.520 5.070 4.550 -0.000 0.000 0.326 18 Y C 0.798 176.740 175.900 0.070 0.000 0.970 18 Y CA -0.429 57.713 58.100 0.071 0.000 1.248 18 Y CB 1.694 40.176 38.460 0.037 0.000 1.117 18 Y HN 0.739 nan 8.280 nan 0.000 0.476 19 A N 4.328 127.236 122.820 0.146 0.000 2.251 19 A HA 0.119 4.439 4.320 -0.000 0.000 0.209 19 A C -1.045 176.607 177.584 0.115 0.000 1.187 19 A CA -0.007 52.096 52.037 0.110 0.000 0.823 19 A CB -0.804 18.235 19.000 0.065 0.000 0.846 19 A HN 0.505 nan 8.150 nan 0.000 0.486 20 P HA -0.018 nan 4.420 nan 0.000 0.233 20 P C -0.155 177.268 177.300 0.203 0.000 1.167 20 P CA 0.442 63.656 63.100 0.189 0.000 0.770 20 P CB -0.077 31.721 31.700 0.164 0.000 0.837 21 E N 1.263 121.543 120.200 0.133 0.000 2.452 21 E HA 0.019 4.369 4.350 -0.000 0.000 0.261 21 E C 0.319 176.969 176.600 0.083 0.000 0.987 21 E CA 0.272 56.737 56.400 0.108 0.000 0.926 21 E CB -0.347 29.392 29.700 0.065 0.000 0.934 21 E HN 0.027 nan 8.360 nan 0.000 0.452 22 D N 2.276 122.723 120.400 0.079 0.000 2.434 22 D HA -0.033 4.607 4.640 -0.000 0.000 0.252 22 D C 0.034 176.295 176.300 -0.065 0.000 1.185 22 D CA 0.154 54.118 54.000 -0.060 0.000 0.886 22 D CB 0.511 41.343 40.800 0.053 0.000 1.148 22 D HN 0.269 nan 8.370 nan 0.000 0.483 23 R N 2.719 123.146 120.500 -0.122 0.000 2.508 23 R HA 0.312 4.652 4.340 -0.000 0.000 0.300 23 R C 1.257 177.473 176.300 -0.140 0.000 0.970 23 R CA 0.041 56.088 56.100 -0.087 0.000 1.102 23 R CB 0.193 30.456 30.300 -0.062 0.000 1.246 23 R HN 0.666 nan 8.270 nan 0.000 0.539 24 G N 2.152 110.813 108.800 -0.231 0.000 2.645 24 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.246 24 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.246 24 G C -0.141 174.498 174.900 -0.435 0.000 1.322 24 G CA -0.550 44.239 45.100 -0.517 0.000 0.898 24 G HN 0.107 nan 8.290 nan 0.000 0.573 25 I N 0.570 120.927 120.570 -0.355 0.000 2.533 25 I HA 0.463 4.633 4.170 -0.000 0.000 0.284 25 I C 1.010 177.060 176.117 -0.112 0.000 1.109 25 I CA -0.078 61.110 61.300 -0.186 0.000 1.412 25 I CB -0.173 37.745 38.000 -0.137 0.000 1.396 25 I HN 0.947 nan 8.210 nan 0.000 0.543 26 C N 6.673 125.933 119.300 -0.067 0.000 3.241 26 C HA 0.464 4.924 4.460 -0.000 0.000 0.348 26 C C -0.888 174.083 174.990 -0.031 0.000 1.180 26 C CA -0.645 58.343 59.018 -0.050 0.000 1.273 26 C CB 1.805 29.514 27.740 -0.052 0.000 1.620 26 C HN 0.811 nan 8.230 nan 0.000 0.510 27 D N 1.720 122.101 120.400 -0.031 0.000 2.340 27 D HA 0.669 5.309 4.640 -0.000 0.000 0.251 27 D C -0.714 175.567 176.300 -0.031 0.000 1.080 27 D CA -0.054 53.928 54.000 -0.030 0.000 0.971 27 D CB 1.865 42.645 40.800 -0.035 0.000 1.137 27 D HN 0.423 nan 8.370 nan 0.000 0.475 28 V N 1.640 121.531 119.914 -0.038 0.000 2.623 28 V HA 0.274 4.394 4.120 -0.000 0.000 0.304 28 V C -0.825 175.239 176.094 -0.050 0.000 1.054 28 V CA -0.831 61.445 62.300 -0.040 0.000 0.882 28 V CB 2.016 33.812 31.823 -0.045 0.000 1.002 28 V HN 0.298 nan 8.190 nan 0.000 0.424 29 L N 6.288 127.490 121.223 -0.035 0.000 2.317 29 L HA 0.834 5.174 4.340 -0.000 0.000 0.281 29 L C -0.654 176.217 176.870 0.002 0.000 1.024 29 L CA 0.037 54.862 54.840 -0.024 0.000 0.810 29 L CB 1.821 43.861 42.059 -0.032 0.000 1.240 29 L HN 0.453 nan 8.230 nan 0.000 0.427 30 V N 4.222 124.151 119.914 0.025 0.000 2.604 30 V HA 0.943 5.063 4.120 -0.000 0.000 0.305 30 V C -0.361 175.812 176.094 0.131 0.000 1.043 30 V CA -0.297 62.029 62.300 0.044 0.000 0.888 30 V CB 1.515 33.327 31.823 -0.019 0.000 0.995 30 V HN 0.991 nan 8.190 nan 0.000 0.429 31 A N 3.005 125.891 122.820 0.109 0.000 2.455 31 A HA 0.720 5.040 4.320 -0.000 0.000 0.300 31 A C 0.048 177.629 177.584 -0.005 0.000 1.040 31 A CA -0.634 51.449 52.037 0.077 0.000 0.697 31 A CB 0.718 19.829 19.000 0.185 0.000 1.265 31 A HN 1.096 nan 8.150 nan 0.000 0.407 32 N N 1.017 119.674 118.700 -0.072 0.000 2.716 32 N HA -0.193 4.547 4.740 -0.000 0.000 0.250 32 N C 0.987 176.489 175.510 -0.014 0.000 1.033 32 N CA 1.944 54.962 53.050 -0.054 0.000 0.727 32 N CB -0.899 37.555 38.487 -0.055 0.000 0.950 32 N HN 2.261 nan 8.380 nan 0.000 0.541 33 G N -1.965 106.836 108.800 0.001 0.000 2.184 33 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.264 33 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.264 33 G C 0.061 174.976 174.900 0.024 0.000 0.975 33 G CA 0.823 45.933 45.100 0.017 0.000 0.642 33 G HN 0.372 nan 8.290 nan 0.000 0.536 34 K N -0.091 120.323 120.400 0.023 0.000 2.208 34 K HA 0.622 4.942 4.320 -0.000 0.000 0.247 34 K C 0.313 176.929 176.600 0.027 0.000 0.953 34 K CA -0.978 55.326 56.287 0.028 0.000 0.837 34 K CB 1.796 34.314 32.500 0.030 0.000 1.131 34 K HN 0.194 nan 8.250 nan 0.000 0.431 35 I N 3.903 124.488 120.570 0.024 0.000 2.379 35 I HA 0.076 4.246 4.170 -0.000 0.000 0.290 35 I C 1.619 177.750 176.117 0.024 0.000 1.063 35 I CA 0.064 61.374 61.300 0.017 0.000 1.351 35 I CB 0.347 38.356 38.000 0.014 0.000 1.410 35 I HN 0.582 nan 8.210 nan 0.000 0.505 36 I N 3.454 124.042 120.570 0.028 0.000 3.941 36 I HA 0.586 4.756 4.170 -0.000 0.000 0.321 36 I C 0.615 176.740 176.117 0.014 0.000 1.284 36 I CA -0.004 61.316 61.300 0.032 0.000 1.226 36 I CB 0.386 38.423 38.000 0.061 0.000 1.045 36 I HN 0.496 nan 8.210 nan 0.000 0.420 37 A N 0.607 123.429 122.820 0.002 0.000 2.582 37 A HA 0.712 5.032 4.320 -0.000 0.000 0.297 37 A C -1.346 176.230 177.584 -0.013 0.000 1.059 37 A CA -0.407 51.625 52.037 -0.009 0.000 0.705 37 A CB 1.659 20.646 19.000 -0.021 0.000 1.279 37 A HN -0.038 nan 8.150 nan 0.000 0.404 38 V N 1.072 120.978 119.914 -0.013 0.000 2.462 38 V HA 0.824 4.944 4.120 -0.000 0.000 0.288 38 V C 0.139 176.221 176.094 -0.019 0.000 1.020 38 V CA 0.431 62.722 62.300 -0.015 0.000 0.857 38 V CB 0.802 32.621 31.823 -0.006 0.000 1.013 38 V HN 2.062 nan 8.190 nan 0.000 0.431 39 A N 3.198 126.002 122.820 -0.026 0.000 2.586 39 A HA 0.811 5.130 4.320 -0.000 0.000 0.291 39 A C -0.546 177.018 177.584 -0.034 0.000 1.062 39 A CA -0.542 51.478 52.037 -0.029 0.000 0.666 39 A CB 1.597 20.580 19.000 -0.029 0.000 1.281 39 A HN 0.504 nan 8.150 nan 0.000 0.421 40 S N 1.625 117.303 115.700 -0.037 0.000 2.580 40 S HA 0.420 4.890 4.470 -0.000 0.000 0.274 40 S C 0.308 174.886 174.600 -0.037 0.000 1.329 40 S CA -0.111 58.065 58.200 -0.040 0.000 1.036 40 S CB 0.038 63.212 63.200 -0.043 0.000 0.919 40 S HN 0.833 nan 8.310 nan 0.000 0.515 41 N N 0.881 119.559 118.700 -0.036 0.000 2.738 41 N HA -0.169 4.571 4.740 -0.000 0.000 0.249 41 N C -0.696 174.791 175.510 -0.038 0.000 1.047 41 N CA 0.444 53.474 53.050 -0.035 0.000 0.707 41 N CB -1.486 36.982 38.487 -0.032 0.000 0.937 41 N HN 0.563 nan 8.380 nan 0.000 0.545 42 I N 1.162 121.707 120.570 -0.041 0.000 2.556 42 I HA 0.079 4.249 4.170 -0.000 0.000 0.284 42 I C -1.512 174.573 176.117 -0.052 0.000 1.114 42 I CA -1.333 59.938 61.300 -0.049 0.000 1.418 42 I CB 0.297 38.266 38.000 -0.052 0.000 1.394 42 I HN -0.159 nan 8.210 nan 0.000 0.552 43 P HA 0.042 nan 4.420 nan 0.000 0.267 43 P C 0.436 177.694 177.300 -0.070 0.000 1.205 43 P CA 0.014 63.078 63.100 -0.060 0.000 0.765 43 P CB 0.606 32.268 31.700 -0.064 0.000 0.828 44 S N 1.706 117.372 115.700 -0.057 0.000 2.419 44 S HA -0.182 4.288 4.470 -0.000 0.000 0.235 44 S C 1.110 175.665 174.600 -0.075 0.000 1.019 44 S CA 1.527 59.693 58.200 -0.057 0.000 0.982 44 S CB -0.604 62.574 63.200 -0.037 0.000 0.789 44 S HN 0.633 nan 8.310 nan 0.000 0.490 45 D N 0.466 120.818 120.400 -0.080 0.000 2.349 45 D HA 0.134 4.774 4.640 -0.000 0.000 0.214 45 D C 1.353 177.571 176.300 -0.137 0.000 1.063 45 D CA -0.332 53.611 54.000 -0.095 0.000 0.847 45 D CB -0.407 40.351 40.800 -0.069 0.000 0.933 45 D HN 0.275 nan 8.370 nan 0.000 0.513 46 I N 1.375 121.856 120.570 -0.148 0.000 2.236 46 I HA -0.172 3.998 4.170 -0.000 0.000 0.249 46 I C 0.522 176.473 176.117 -0.278 0.000 1.102 46 I CA 0.898 62.090 61.300 -0.180 0.000 1.365 46 I CB -0.019 37.886 38.000 -0.157 0.000 1.051 46 I HN 0.110 nan 8.210 nan 0.000 0.420 47 V N -2.748 116.940 119.914 -0.377 0.000 2.876 47 V HA 0.662 4.782 4.120 -0.000 0.000 0.312 47 V C -2.658 173.166 176.094 -0.451 0.000 1.085 47 V CA -1.847 60.078 62.300 -0.625 0.000 0.945 47 V CB 1.131 32.149 31.823 -1.342 0.000 1.017 47 V HN -0.071 nan 8.190 nan 0.000 0.428 48 P HA 0.259 nan 4.420 nan 0.000 0.273 48 P C -0.130 177.216 177.300 0.076 0.000 1.250 48 P CA -0.088 62.897 63.100 -0.192 0.000 0.793 48 P CB -0.121 31.301 31.700 -0.463 0.000 1.011 49 N N -2.888 115.899 118.700 0.146 0.000 2.701 49 N HA -0.206 4.534 4.740 -0.000 0.000 0.257 49 N C -0.241 175.392 175.510 0.205 0.000 0.969 49 N CA -0.076 53.089 53.050 0.192 0.000 0.786 49 N CB -1.584 37.049 38.487 0.242 0.000 0.917 49 N HN 0.409 nan 8.380 nan 0.000 0.541 50 C N 1.180 120.550 119.300 0.118 0.000 2.307 50 C HA 0.249 4.709 4.460 -0.000 0.000 0.340 50 C C 0.935 175.970 174.990 0.075 0.000 1.275 50 C CA -0.326 58.755 59.018 0.106 0.000 1.811 50 C CB 0.146 27.878 27.740 -0.013 0.000 2.372 50 C HN 0.372 nan 8.230 nan 0.000 0.531 51 T N 6.181 120.789 114.554 0.091 0.000 2.776 51 T HA 0.248 4.598 4.350 -0.000 0.000 0.292 51 T C 0.030 174.756 174.700 0.044 0.000 0.921 51 T CA -0.011 62.129 62.100 0.067 0.000 1.038 51 T CB 0.023 68.938 68.868 0.079 0.000 0.910 51 T HN 0.579 nan 8.240 nan 0.000 0.536 52 V N 5.347 125.279 119.914 0.029 0.000 2.461 52 V HA 0.315 4.435 4.120 -0.000 0.000 0.275 52 V C 0.276 176.384 176.094 0.024 0.000 1.047 52 V CA -0.616 61.692 62.300 0.014 0.000 0.955 52 V CB 1.160 32.985 31.823 0.003 0.000 0.988 52 V HN 0.569 nan 8.190 nan 0.000 0.471 53 V N 3.635 123.561 119.914 0.020 0.000 2.448 53 V HA 0.353 4.473 4.120 -0.000 0.000 0.295 53 V C -0.267 175.843 176.094 0.026 0.000 1.025 53 V CA -0.662 61.660 62.300 0.037 0.000 0.859 53 V CB 1.906 33.768 31.823 0.065 0.000 0.988 53 V HN 0.894 nan 8.190 nan 0.000 0.431 54 D N 4.535 124.954 120.400 0.031 0.000 2.365 54 D HA 0.283 4.923 4.640 -0.000 0.000 0.237 54 D C 0.398 176.719 176.300 0.036 0.000 1.190 54 D CA -0.024 53.991 54.000 0.026 0.000 0.867 54 D CB 0.943 41.757 40.800 0.022 0.000 1.050 54 D HN 0.488 nan 8.370 nan 0.000 0.491 55 L N 2.737 123.981 121.223 0.035 0.000 2.872 55 L HA 0.141 4.481 4.340 -0.000 0.000 0.245 55 L C 0.734 177.633 176.870 0.048 0.000 1.211 55 L CA -0.423 54.445 54.840 0.048 0.000 1.013 55 L CB -0.312 41.779 42.059 0.052 0.000 1.326 55 L HN 0.283 nan 8.230 nan 0.000 0.525 56 S N -0.195 115.527 115.700 0.037 0.000 2.558 56 S HA 0.300 4.770 4.470 -0.000 0.000 0.288 56 S C 1.425 176.053 174.600 0.048 0.000 1.318 56 S CA 0.280 58.502 58.200 0.037 0.000 1.056 56 S CB 1.171 64.386 63.200 0.025 0.000 0.853 56 S HN 0.584 nan 8.310 nan 0.000 0.505 57 G N 1.253 110.088 108.800 0.058 0.000 2.205 57 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.261 57 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.261 57 G C 0.036 174.986 174.900 0.083 0.000 0.980 57 G CA 0.405 45.545 45.100 0.067 0.000 0.632 57 G HN 0.796 nan 8.290 nan 0.000 0.533 58 Q N -0.291 119.563 119.800 0.089 0.000 2.252 58 Q HA 0.769 5.109 4.340 -0.000 0.000 0.256 58 Q C 0.317 176.400 176.000 0.139 0.000 1.020 58 Q CA -0.755 55.106 55.803 0.097 0.000 0.913 58 Q CB 1.445 30.231 28.738 0.081 0.000 1.286 58 Q HN 0.412 nan 8.270 nan 0.000 0.480 59 I N 1.166 121.815 120.570 0.133 0.000 2.493 59 I HA 0.316 4.486 4.170 -0.000 0.000 0.298 59 I C -0.930 175.281 176.117 0.156 0.000 0.998 59 I CA -1.020 60.389 61.300 0.182 0.000 1.137 59 I CB 1.648 39.724 38.000 0.127 0.000 1.310 59 I HN 0.267 nan 8.210 nan 0.000 0.445 60 L N 8.071 129.410 121.223 0.194 0.000 2.381 60 L HA 0.656 4.996 4.340 -0.000 0.000 0.274 60 L C -0.570 176.402 176.870 0.171 0.000 0.988 60 L CA -0.155 54.769 54.840 0.140 0.000 0.824 60 L CB 1.191 43.308 42.059 0.097 0.000 1.263 60 L HN 0.865 nan 8.230 nan 0.000 0.410 61 C N 2.603 121.976 119.300 0.122 0.000 3.323 61 C HA 0.857 5.317 4.460 -0.000 0.000 0.324 61 C C -2.761 172.278 174.990 0.082 0.000 1.428 61 C CA -1.916 57.182 59.018 0.134 0.000 1.368 61 C CB 1.713 29.547 27.740 0.157 0.000 1.731 61 C HN 0.669 nan 8.230 nan 0.000 0.455 62 P HA 0.367 nan 4.420 nan 0.000 0.272 62 P C 0.296 177.621 177.300 0.042 0.000 1.223 62 P CA 0.825 63.978 63.100 0.088 0.000 0.784 62 P CB 0.267 32.041 31.700 0.123 0.000 0.923 63 G N 1.763 110.574 108.800 0.019 0.000 2.544 63 G HA2 0.265 4.225 3.960 -0.000 0.000 0.242 63 G HA3 0.265 4.225 3.960 -0.000 0.000 0.242 63 G C -0.583 174.370 174.900 0.089 0.000 1.247 63 G CA -0.255 44.808 45.100 -0.062 0.000 0.840 63 G HN 0.214 nan 8.290 nan 0.000 0.578 64 F N -0.166 119.818 119.950 0.057 0.000 2.410 64 F HA 0.385 4.912 4.527 -0.000 0.000 0.334 64 F C 0.948 176.791 175.800 0.071 0.000 1.134 64 F CA -1.146 56.890 58.000 0.059 0.000 1.227 64 F CB 0.869 39.900 39.000 0.052 0.000 1.194 64 F HN 0.132 nan 8.300 nan 0.000 0.571 65 I N 2.344 123.089 120.570 0.293 0.000 2.359 65 I HA 0.155 4.325 4.170 -0.000 0.000 0.284 65 I C -0.634 175.587 176.117 0.174 0.000 1.018 65 I CA -0.573 60.850 61.300 0.206 0.000 1.173 65 I CB 1.131 39.229 38.000 0.164 0.000 1.326 65 I HN 0.355 nan 8.210 nan 0.000 0.462 66 D N 6.361 126.871 120.400 0.185 0.000 2.443 66 D HA 0.100 4.740 4.640 -0.000 0.000 0.221 66 D C 0.791 177.202 176.300 0.186 0.000 1.097 66 D CA -0.353 53.758 54.000 0.185 0.000 0.865 66 D CB 1.141 42.080 40.800 0.232 0.000 1.034 66 D HN 0.593 nan 8.370 nan 0.000 0.511 67 Q N 2.254 122.153 119.800 0.164 0.000 2.373 67 Q HA -0.006 4.334 4.340 -0.000 0.000 0.206 67 Q C -0.329 175.775 176.000 0.174 0.000 0.942 67 Q CA 0.311 56.206 55.803 0.154 0.000 0.953 67 Q CB -0.056 28.759 28.738 0.129 0.000 1.022 67 Q HN 0.479 nan 8.270 nan 0.000 0.502 68 H N -0.332 118.796 119.070 0.097 0.000 2.651 68 H HA 0.480 5.036 4.556 -0.000 0.000 0.252 68 H C -1.837 173.551 175.328 0.100 0.000 1.365 68 H CA -0.623 55.467 56.048 0.070 0.000 1.539 68 H CB 0.884 30.690 29.762 0.073 0.000 1.621 68 H HN 0.058 nan 8.280 nan 0.000 0.526 69 V N 3.668 123.673 119.914 0.152 0.000 2.709 69 V HA 0.143 4.263 4.120 -0.000 0.000 0.308 69 V C -0.015 176.106 176.094 0.044 0.000 1.062 69 V CA -0.901 61.544 62.300 0.241 0.000 0.901 69 V CB 1.880 33.908 31.823 0.342 0.000 1.003 69 V HN 0.764 nan 8.190 nan 0.000 0.425 70 H N 5.534 124.720 119.070 0.195 0.000 2.855 70 H HA 0.268 4.824 4.556 -0.000 0.000 0.238 70 H C 1.122 176.524 175.328 0.123 0.000 1.847 70 H CA -0.099 56.022 56.048 0.122 0.000 1.368 70 H CB 0.462 30.280 29.762 0.093 0.000 1.758 70 H HN 0.548 nan 8.280 nan 0.000 0.546 71 L N 1.240 122.559 121.223 0.160 0.000 2.021 71 L HA -0.263 4.076 4.340 -0.000 0.000 0.215 71 L C 2.298 179.241 176.870 0.121 0.000 1.074 71 L CA 1.778 56.699 54.840 0.136 0.000 0.760 71 L CB -0.340 41.768 42.059 0.083 0.000 0.889 71 L HN 0.529 nan 8.230 nan 0.000 0.433 72 I N -3.032 117.602 120.570 0.107 0.000 3.684 72 I HA 0.426 4.596 4.170 -0.000 0.000 0.304 72 I C 0.898 177.067 176.117 0.087 0.000 1.278 72 I CA 0.287 61.639 61.300 0.087 0.000 1.272 72 I CB -0.300 37.743 38.000 0.072 0.000 1.029 72 I HN 0.190 nan 8.210 nan 0.000 0.458 73 G N 0.044 108.913 108.800 0.116 0.000 2.497 73 G HA2 0.301 4.261 3.960 -0.000 0.000 0.686 73 G HA3 0.301 4.261 3.960 -0.000 0.000 0.686 73 G C -0.532 174.412 174.900 0.072 0.000 1.288 73 G CA -0.646 44.506 45.100 0.087 0.000 0.899 73 G HN 0.667 nan 8.290 nan 0.000 0.608 74 G N -1.418 107.370 108.800 -0.020 0.000 3.100 74 G HA2 1.021 4.981 3.960 -0.000 0.000 0.174 74 G HA3 1.021 4.981 3.960 -0.000 0.000 0.174 74 G C 1.185 175.998 174.900 -0.145 0.000 1.136 74 G CA 1.334 46.356 45.100 -0.129 0.000 0.881 74 G HN 2.769 nan 8.290 nan 0.000 0.616 75 G N -1.273 107.403 108.800 -0.207 0.000 2.601 75 G HA2 0.346 4.306 3.960 -0.000 0.000 0.252 75 G HA3 0.346 4.306 3.960 -0.000 0.000 0.252 75 G C 1.415 176.240 174.900 -0.125 0.000 1.294 75 G CA 1.582 46.592 45.100 -0.149 0.000 0.912 75 G HN 2.668 nan 8.290 nan 0.000 0.574 76 G N -2.012 106.735 108.800 -0.089 0.000 2.179 76 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.220 76 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.220 76 G C 0.732 175.592 174.900 -0.067 0.000 0.990 76 G CA 1.216 46.271 45.100 -0.074 0.000 0.646 76 G HN 1.355 nan 8.290 nan 0.000 0.517 77 E N 0.050 120.209 120.200 -0.068 0.000 2.478 77 E HA 0.382 4.732 4.350 -0.000 0.000 0.198 77 E C 1.680 178.269 176.600 -0.018 0.000 1.046 77 E CA 0.720 57.095 56.400 -0.042 0.000 0.870 77 E CB 0.178 29.859 29.700 -0.032 0.000 0.818 77 E HN 0.821 nan 8.360 nan 0.000 0.527 78 A N 1.089 123.895 122.820 -0.023 0.000 2.812 78 A HA 0.573 4.893 4.320 -0.000 0.000 0.294 78 A C 0.420 177.993 177.584 -0.018 0.000 1.014 78 A CA 0.081 52.109 52.037 -0.015 0.000 1.024 78 A CB 0.002 18.994 19.000 -0.013 0.000 1.162 78 A HN 0.170 nan 8.150 nan 0.000 0.511 79 G N 0.480 109.268 108.800 -0.021 0.000 2.712 79 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.683 79 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.683 79 G C -1.707 173.178 174.900 -0.025 0.000 1.320 79 G CA -0.239 44.849 45.100 -0.020 0.000 0.847 79 G HN 0.125 nan 8.290 nan 0.000 0.553 80 P HA -0.079 nan 4.420 nan 0.000 0.222 80 P C 1.961 179.248 177.300 -0.020 0.000 1.147 80 P CA 2.480 65.567 63.100 -0.021 0.000 0.790 80 P CB -0.293 31.398 31.700 -0.016 0.000 0.780 81 T N -3.234 111.309 114.554 -0.018 0.000 3.035 81 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 81 T C 1.451 176.138 174.700 -0.021 0.000 1.109 81 T CA 1.602 63.692 62.100 -0.017 0.000 1.119 81 T CB -1.580 67.280 68.868 -0.014 0.000 0.900 81 T HN 0.228 nan 8.240 nan 0.000 0.503 82 T N -0.677 113.861 114.554 -0.027 0.000 3.188 82 T HA 0.280 4.629 4.350 -0.000 0.000 0.250 82 T C 0.609 175.284 174.700 -0.042 0.000 1.077 82 T CA -0.691 61.389 62.100 -0.034 0.000 0.967 82 T CB -0.432 68.414 68.868 -0.037 0.000 1.006 82 T HN 0.359 nan 8.240 nan 0.000 0.552 83 R N 3.155 123.633 120.500 -0.036 0.000 2.296 83 R HA 0.355 4.695 4.340 -0.000 0.000 0.323 83 R C 0.614 176.898 176.300 -0.026 0.000 1.067 83 R CA -0.242 55.836 56.100 -0.037 0.000 0.946 83 R CB 0.422 30.705 30.300 -0.029 0.000 0.991 83 R HN 0.453 nan 8.270 nan 0.000 0.448 84 T N 1.236 115.772 114.554 -0.030 0.000 2.868 84 T HA 0.327 4.677 4.350 -0.000 0.000 0.292 84 T C -1.914 172.792 174.700 0.010 0.000 1.028 84 T CA -1.633 60.460 62.100 -0.013 0.000 1.059 84 T CB 0.960 69.816 68.868 -0.020 0.000 0.991 84 T HN 0.288 nan 8.240 nan 0.000 0.531 85 P HA 0.236 nan 4.420 nan 0.000 0.278 85 P C -0.068 177.268 177.300 0.060 0.000 1.258 85 P CA -0.697 62.424 63.100 0.035 0.000 0.811 85 P CB 0.414 32.134 31.700 0.034 0.000 1.063 86 E N 0.055 120.294 120.200 0.064 0.000 2.418 86 E HA 0.123 4.473 4.350 -0.000 0.000 0.261 86 E C -0.461 176.202 176.600 0.105 0.000 1.070 86 E CA -0.780 55.671 56.400 0.085 0.000 0.931 86 E CB 0.497 30.242 29.700 0.075 0.000 0.954 86 E HN 0.107 nan 8.360 nan 0.000 0.439 87 V N 1.825 121.817 119.914 0.131 0.000 2.637 87 V HA 0.318 4.438 4.120 -0.000 0.000 0.296 87 V C -0.023 176.133 176.094 0.103 0.000 1.046 87 V CA 0.306 62.702 62.300 0.159 0.000 1.066 87 V CB 0.543 32.496 31.823 0.217 0.000 0.968 87 V HN 0.806 nan 8.190 nan 0.000 0.483 88 A N 5.872 128.750 122.820 0.096 0.000 2.309 88 A HA 0.498 4.818 4.320 -0.000 0.000 0.298 88 A C 0.660 178.250 177.584 0.009 0.000 1.165 88 A CA -0.342 51.729 52.037 0.057 0.000 0.821 88 A CB 0.950 19.987 19.000 0.061 0.000 1.102 88 A HN 1.160 nan 8.150 nan 0.000 0.500 89 L N 3.585 124.801 121.223 -0.011 0.000 1.990 89 L HA -0.237 4.103 4.340 -0.000 0.000 0.213 89 L C 2.697 179.529 176.870 -0.064 0.000 1.072 89 L CA 3.312 58.123 54.840 -0.048 0.000 0.755 89 L CB -0.705 41.326 42.059 -0.046 0.000 0.889 89 L HN 0.891 nan 8.230 nan 0.000 0.432 90 S N -0.883 114.794 115.700 -0.039 0.000 2.402 90 S HA -0.221 4.249 4.470 -0.000 0.000 0.233 90 S C 2.070 176.648 174.600 -0.036 0.000 1.030 90 S CA 0.995 59.173 58.200 -0.037 0.000 1.003 90 S CB -0.692 62.496 63.200 -0.019 0.000 0.813 90 S HN 0.511 nan 8.310 nan 0.000 0.477 91 R N 1.085 121.572 120.500 -0.021 0.000 2.115 91 R HA 0.205 4.545 4.340 -0.000 0.000 0.230 91 R C 2.325 178.534 176.300 -0.152 0.000 1.111 91 R CA 0.924 57.029 56.100 0.009 0.000 0.976 91 R CB -1.064 29.326 30.300 0.149 0.000 0.870 91 R HN 0.482 nan 8.270 nan 0.000 0.445 92 L N 0.385 121.424 121.223 -0.306 0.000 2.007 92 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 92 L C 2.755 179.496 176.870 -0.214 0.000 1.073 92 L CA 1.924 56.490 54.840 -0.457 0.000 0.744 92 L CB -1.029 40.804 42.059 -0.377 0.000 0.898 92 L HN 0.273 nan 8.230 nan 0.000 0.435 93 T N -2.798 111.671 114.554 -0.142 0.000 2.746 93 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 93 T C 1.604 176.255 174.700 -0.081 0.000 1.039 93 T CA 1.391 63.429 62.100 -0.103 0.000 1.142 93 T CB -0.446 68.366 68.868 -0.093 0.000 0.866 93 T HN 0.324 nan 8.240 nan 0.000 0.444 94 E N 1.422 121.587 120.200 -0.058 0.000 2.333 94 E HA 0.097 4.447 4.350 -0.000 0.000 0.198 94 E C 2.126 178.726 176.600 -0.001 0.000 1.007 94 E CA 0.713 57.095 56.400 -0.030 0.000 0.845 94 E CB -0.231 29.465 29.700 -0.006 0.000 0.766 94 E HN 0.737 nan 8.360 nan 0.000 0.507 95 A N -0.110 122.718 122.820 0.013 0.000 2.251 95 A HA 0.309 4.629 4.320 -0.000 0.000 0.209 95 A C 1.627 179.287 177.584 0.127 0.000 1.187 95 A CA 0.694 52.792 52.037 0.101 0.000 0.823 95 A CB -0.080 19.027 19.000 0.178 0.000 0.846 95 A HN 0.308 nan 8.150 nan 0.000 0.486 96 G N -1.655 107.126 108.800 -0.032 0.000 2.175 96 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.244 96 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.244 96 G C 0.166 174.973 174.900 -0.155 0.000 0.982 96 G CA 0.059 45.004 45.100 -0.259 0.000 0.641 96 G HN 0.764 nan 8.290 nan 0.000 0.527 97 V N 2.335 122.254 119.914 0.009 0.000 2.427 97 V HA 0.470 4.590 4.120 -0.000 0.000 0.268 97 V C 1.544 177.635 176.094 -0.004 0.000 1.046 97 V CA 1.125 63.456 62.300 0.052 0.000 0.970 97 V CB 0.952 32.765 31.823 -0.018 0.000 1.001 97 V HN 0.650 nan 8.190 nan 0.000 0.476 98 T N -0.030 114.549 114.554 0.041 0.000 2.971 98 T HA 0.204 4.554 4.350 -0.000 0.000 0.252 98 T C 0.633 175.379 174.700 0.076 0.000 1.022 98 T CA -0.091 62.029 62.100 0.033 0.000 0.980 98 T CB 0.416 69.304 68.868 0.034 0.000 1.044 98 T HN 0.453 nan 8.240 nan 0.000 0.501 99 S N 0.548 116.329 115.700 0.135 0.000 2.557 99 S HA 0.765 5.235 4.470 -0.000 0.000 0.291 99 S C -1.332 173.398 174.600 0.216 0.000 1.116 99 S CA -0.640 57.695 58.200 0.225 0.000 0.992 99 S CB 2.401 65.799 63.200 0.330 0.000 1.028 99 S HN 0.319 nan 8.310 nan 0.000 0.484 100 V N 3.554 123.607 119.914 0.232 0.000 3.007 100 V HA 0.749 4.869 4.120 -0.000 0.000 0.311 100 V C -1.520 174.732 176.094 0.262 0.000 1.120 100 V CA -0.506 61.913 62.300 0.199 0.000 0.980 100 V CB 2.286 34.171 31.823 0.104 0.000 1.033 100 V HN 0.639 nan 8.190 nan 0.000 0.429 101 V N 4.727 124.765 119.914 0.206 0.000 2.378 101 V HA 0.741 4.861 4.120 -0.000 0.000 0.288 101 V C 0.666 176.812 176.094 0.087 0.000 1.016 101 V CA 0.070 62.479 62.300 0.181 0.000 0.840 101 V CB 1.275 33.182 31.823 0.141 0.000 0.994 101 V HN 1.071 nan 8.190 nan 0.000 0.431 102 G N 4.485 113.325 108.800 0.066 0.000 2.425 102 G HA2 0.757 4.717 3.960 -0.000 0.000 0.302 102 G HA3 0.757 4.717 3.960 -0.000 0.000 0.302 102 G C -1.049 173.808 174.900 -0.072 0.000 1.159 102 G CA -0.364 44.735 45.100 -0.001 0.000 0.865 102 G HN 0.750 nan 8.290 nan 0.000 0.515 103 L N -1.144 119.972 121.223 -0.178 0.000 2.630 103 L HA 0.735 5.075 4.340 -0.000 0.000 0.258 103 L C -0.744 176.010 176.870 -0.192 0.000 1.072 103 L CA -1.243 53.472 54.840 -0.209 0.000 0.885 103 L CB 0.976 42.842 42.059 -0.323 0.000 1.502 103 L HN 0.418 nan 8.230 nan 0.000 0.406 104 L N -0.457 120.722 121.223 -0.073 0.000 2.313 104 L HA 0.962 5.302 4.340 -0.000 0.000 0.268 104 L C 0.613 177.558 176.870 0.125 0.000 1.010 104 L CA -0.264 54.603 54.840 0.045 0.000 0.814 104 L CB 1.707 43.770 42.059 0.006 0.000 1.304 104 L HN 0.987 nan 8.230 nan 0.000 0.441 105 G N -0.784 108.075 108.800 0.098 0.000 3.414 105 G HA2 0.198 4.158 3.960 -0.000 0.000 0.189 105 G HA3 0.198 4.158 3.960 -0.000 0.000 0.189 105 G C 0.685 175.047 174.900 -0.897 0.000 1.329 105 G CA 0.373 45.358 45.100 -0.192 0.000 0.851 105 G HN 0.509 nan 8.290 nan 0.000 0.671 106 T N 0.580 114.311 114.554 -1.371 0.000 2.720 106 T HA -0.053 4.297 4.350 -0.000 0.000 0.268 106 T C 0.695 175.134 174.700 -0.435 0.000 1.037 106 T CA 1.515 62.964 62.100 -1.084 0.000 1.144 106 T CB -0.193 68.265 68.868 -0.683 0.000 0.864 106 T HN 0.346 nan 8.240 nan 0.000 0.444 107 D N 1.529 121.737 120.400 -0.321 0.000 2.339 107 D HA 0.222 4.862 4.640 -0.000 0.000 0.241 107 D C 0.371 176.562 176.300 -0.182 0.000 1.183 107 D CA -0.256 53.625 54.000 -0.199 0.000 0.859 107 D CB 0.630 41.333 40.800 -0.161 0.000 1.067 107 D HN 0.240 nan 8.370 nan 0.000 0.484 108 S N 3.077 118.672 115.700 -0.174 0.000 2.846 108 S HA 0.158 4.628 4.470 -0.000 0.000 0.249 108 S C 1.238 175.674 174.600 -0.273 0.000 1.028 108 S CA -0.512 57.566 58.200 -0.203 0.000 1.043 108 S CB 0.078 63.203 63.200 -0.125 0.000 0.990 108 S HN 0.399 nan 8.310 nan 0.000 0.564 109 I N 2.488 122.916 120.570 -0.235 0.000 2.729 109 I HA 0.092 4.262 4.170 -0.000 0.000 0.256 109 I C 2.443 178.426 176.117 -0.224 0.000 1.115 109 I CA 1.324 62.508 61.300 -0.193 0.000 1.446 109 I CB -1.047 36.890 38.000 -0.106 0.000 1.176 109 I HN 0.572 nan 8.210 nan 0.000 0.446 110 S N 0.649 116.238 115.700 -0.186 0.000 2.556 110 S HA 0.209 4.679 4.470 -0.000 0.000 0.216 110 S C 0.776 175.300 174.600 -0.127 0.000 0.970 110 S CA -0.299 57.856 58.200 -0.075 0.000 0.912 110 S CB 0.267 63.450 63.200 -0.028 0.000 0.790 110 S HN 0.129 nan 8.310 nan 0.000 0.504 111 R N 1.412 121.692 120.500 -0.367 0.000 2.599 111 R HA 0.575 4.915 4.340 -0.000 0.000 0.295 111 R C -1.575 174.384 176.300 -0.568 0.000 0.963 111 R CA -0.369 55.572 56.100 -0.265 0.000 0.883 111 R CB 1.137 31.360 30.300 -0.129 0.000 1.171 111 R HN 0.431 nan 8.270 nan 0.000 0.450 112 H N 1.242 120.307 119.070 -0.008 0.000 2.768 112 H HA 0.289 4.845 4.556 -0.000 0.000 0.371 112 H C -1.700 173.627 175.328 -0.001 0.000 1.151 112 H CA -1.738 54.305 56.048 -0.008 0.000 1.165 112 H CB 1.850 31.607 29.762 -0.010 0.000 1.722 112 H HN 0.230 nan 8.280 nan 0.000 0.543 113 P HA -0.150 nan 4.420 nan 0.000 0.218 113 P C 0.584 177.922 177.300 0.064 0.000 1.148 113 P CA 1.194 64.331 63.100 0.062 0.000 0.822 113 P CB 0.540 32.267 31.700 0.044 0.000 0.784 114 E N -0.195 120.050 120.200 0.076 0.000 2.110 114 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 114 E C 2.254 178.879 176.600 0.042 0.000 0.988 114 E CA 1.340 57.767 56.400 0.044 0.000 0.804 114 E CB -0.759 28.955 29.700 0.023 0.000 0.745 114 E HN 0.203 nan 8.360 nan 0.000 0.458 115 S N 0.556 116.298 115.700 0.069 0.000 2.355 115 S HA -0.121 4.349 4.470 -0.000 0.000 0.222 115 S C 1.847 176.477 174.600 0.050 0.000 1.031 115 S CA 0.832 59.068 58.200 0.061 0.000 0.993 115 S CB -0.325 62.933 63.200 0.098 0.000 0.859 115 S HN 0.174 nan 8.310 nan 0.000 0.453 116 L N 1.753 123.009 121.223 0.055 0.000 2.042 116 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 116 L C 2.069 178.956 176.870 0.027 0.000 1.076 116 L CA 1.457 56.322 54.840 0.041 0.000 0.749 116 L CB -0.698 41.382 42.059 0.035 0.000 0.893 116 L HN 0.288 nan 8.230 nan 0.000 0.432 117 L N -0.232 121.006 121.223 0.025 0.000 2.083 117 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 117 L C 2.482 179.353 176.870 0.001 0.000 1.083 117 L CA 2.034 56.881 54.840 0.012 0.000 0.752 117 L CB -1.100 40.968 42.059 0.015 0.000 0.899 117 L HN 0.289 nan 8.230 nan 0.000 0.433 118 A N -0.505 122.321 122.820 0.009 0.000 1.902 118 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 118 A C 2.355 179.942 177.584 0.005 0.000 1.181 118 A CA 1.908 53.948 52.037 0.006 0.000 0.623 118 A CB -0.625 18.382 19.000 0.013 0.000 0.818 118 A HN 0.429 nan 8.150 nan 0.000 0.443 119 K N 0.191 120.601 120.400 0.016 0.000 2.057 119 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 119 K C 2.156 178.753 176.600 -0.005 0.000 1.049 119 K CA 2.460 58.758 56.287 0.018 0.000 0.931 119 K CB -0.913 31.608 32.500 0.035 0.000 0.714 119 K HN 0.596 nan 8.250 nan 0.000 0.440 120 T N -1.335 113.210 114.554 -0.015 0.000 2.720 120 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 120 T C 1.910 176.558 174.700 -0.086 0.000 1.037 120 T CA 1.360 63.430 62.100 -0.050 0.000 1.144 120 T CB -0.343 68.494 68.868 -0.052 0.000 0.864 120 T HN 0.296 nan 8.240 nan 0.000 0.444 121 R N 1.294 121.753 120.500 -0.068 0.000 2.115 121 R HA 0.254 4.594 4.340 -0.000 0.000 0.230 121 R C 3.041 179.302 176.300 -0.065 0.000 1.111 121 R CA 1.064 57.118 56.100 -0.077 0.000 0.976 121 R CB -0.689 29.578 30.300 -0.056 0.000 0.870 121 R HN 0.549 nan 8.270 nan 0.000 0.445 122 A N 1.586 124.382 122.820 -0.041 0.000 1.877 122 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 122 A C 2.188 179.741 177.584 -0.052 0.000 1.186 122 A CA 1.195 53.213 52.037 -0.033 0.000 0.620 122 A CB -0.578 18.420 19.000 -0.003 0.000 0.822 122 A HN 0.169 nan 8.150 nan 0.000 0.443 123 L N -0.236 120.954 121.223 -0.056 0.000 2.042 123 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 123 L C 2.388 179.201 176.870 -0.094 0.000 1.076 123 L CA 1.311 56.109 54.840 -0.069 0.000 0.749 123 L CB -0.731 41.289 42.059 -0.065 0.000 0.893 123 L HN 0.383 nan 8.230 nan 0.000 0.432 124 N N 0.037 118.663 118.700 -0.123 0.000 2.069 124 N HA -0.214 4.526 4.740 -0.000 0.000 0.191 124 N C 1.794 177.243 175.510 -0.103 0.000 1.031 124 N CA 1.324 54.287 53.050 -0.145 0.000 0.852 124 N CB -0.186 38.189 38.487 -0.188 0.000 1.018 124 N HN 0.398 nan 8.380 nan 0.000 0.423 125 E N 0.733 120.882 120.200 -0.086 0.000 2.077 125 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 125 E C 1.305 177.864 176.600 -0.068 0.000 0.989 125 E CA 0.939 57.297 56.400 -0.070 0.000 0.800 125 E CB 0.014 29.678 29.700 -0.061 0.000 0.746 125 E HN 0.440 nan 8.360 nan 0.000 0.452 126 E N -1.466 118.691 120.200 -0.071 0.000 2.409 126 E HA -0.066 4.284 4.350 -0.000 0.000 0.198 126 E C 1.126 177.687 176.600 -0.065 0.000 1.024 126 E CA 0.587 56.945 56.400 -0.070 0.000 0.861 126 E CB 0.344 30.000 29.700 -0.072 0.000 0.788 126 E HN 0.415 nan 8.360 nan 0.000 0.521 127 G N 0.515 109.276 108.800 -0.066 0.000 2.421 127 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.188 127 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.188 127 G C 0.408 175.276 174.900 -0.054 0.000 1.001 127 G CA 0.007 45.075 45.100 -0.055 0.000 0.693 127 G HN 0.269 nan 8.290 nan 0.000 0.479 128 I N -1.003 119.527 120.570 -0.067 0.000 3.842 128 I HA 0.885 5.055 4.170 -0.000 0.000 0.273 128 I C 0.023 176.077 176.117 -0.105 0.000 1.348 128 I CA -1.047 60.215 61.300 -0.063 0.000 0.948 128 I CB 1.625 39.592 38.000 -0.055 0.000 1.534 128 I HN -0.041 nan 8.210 nan 0.000 0.656 129 S N 0.926 116.561 115.700 -0.108 0.000 2.605 129 S HA 0.804 5.274 4.470 -0.000 0.000 0.308 129 S C -0.695 173.704 174.600 -0.335 0.000 1.113 129 S CA -0.555 57.478 58.200 -0.278 0.000 1.049 129 S CB 1.433 64.555 63.200 -0.129 0.000 1.001 129 S HN 0.884 nan 8.310 nan 0.000 0.480 130 A N 3.355 125.819 122.820 -0.594 0.000 2.449 130 A HA 0.863 5.183 4.320 -0.000 0.000 0.302 130 A C -1.345 175.919 177.584 -0.534 0.000 1.048 130 A CA -0.727 51.110 52.037 -0.333 0.000 0.708 130 A CB 1.314 20.212 19.000 -0.170 0.000 1.274 130 A HN 0.770 nan 8.150 nan 0.000 0.410 131 W N 0.834 122.141 121.300 0.010 0.000 3.055 131 W HA 0.730 5.390 4.660 -0.000 0.000 0.340 131 W C -0.237 176.281 176.519 -0.001 0.000 1.180 131 W CA -0.519 56.829 57.345 0.005 0.000 1.077 131 W CB 2.063 31.528 29.460 0.008 0.000 1.479 131 W HN 0.931 nan 8.180 nan 0.000 0.593 132 M N 0.349 120.095 119.600 0.243 0.000 2.721 132 M HA 0.664 5.144 4.480 -0.000 0.000 0.271 132 M C -2.118 174.228 176.300 0.076 0.000 1.259 132 M CA -0.946 54.422 55.300 0.113 0.000 0.835 132 M CB 2.472 35.110 32.600 0.063 0.000 1.689 132 M HN 0.224 nan 8.290 nan 0.000 0.470 133 L N 0.876 122.110 121.223 0.020 0.000 2.325 133 L HA 0.606 4.946 4.340 -0.000 0.000 0.278 133 L C 0.288 177.155 176.870 -0.006 0.000 1.023 133 L CA -0.766 54.072 54.840 -0.004 0.000 0.811 133 L CB 1.895 43.927 42.059 -0.044 0.000 1.249 133 L HN 0.886 nan 8.230 nan 0.000 0.431 134 T N 0.971 115.523 114.554 -0.004 0.000 2.788 134 T HA 0.591 4.941 4.350 -0.000 0.000 0.280 134 T C 0.428 175.123 174.700 -0.007 0.000 0.984 134 T CA 0.814 62.914 62.100 0.001 0.000 0.972 134 T CB 1.026 69.898 68.868 0.007 0.000 1.039 134 T HN 0.974 nan 8.240 nan 0.000 0.530 135 G N 0.479 109.282 108.800 0.005 0.000 2.698 135 G HA2 0.360 4.320 3.960 -0.000 0.000 0.233 135 G HA3 0.360 4.320 3.960 -0.000 0.000 0.233 135 G C -0.124 174.789 174.900 0.021 0.000 1.352 135 G CA -0.265 44.843 45.100 0.014 0.000 0.879 135 G HN 1.690 nan 8.290 nan 0.000 0.567 136 A N -3.705 119.146 122.820 0.052 0.000 3.281 136 A HA 0.707 5.027 4.320 -0.000 0.000 0.302 136 A C 0.607 178.309 177.584 0.197 0.000 1.115 136 A CA 0.688 52.780 52.037 0.093 0.000 0.595 136 A CB -0.576 18.451 19.000 0.044 0.000 1.518 136 A HN 1.446 nan 8.150 nan 0.000 0.674 137 Y N 1.137 121.433 120.300 -0.007 0.000 2.181 137 Y HA -0.068 4.482 4.550 -0.000 0.000 0.288 137 Y C 1.536 177.429 175.900 -0.013 0.000 1.146 137 Y CA 1.481 59.564 58.100 -0.029 0.000 1.164 137 Y CB -0.763 37.653 38.460 -0.074 0.000 0.982 137 Y HN 0.596 nan 8.280 nan 0.000 0.515 138 H N 0.725 119.866 119.070 0.118 0.000 3.034 138 H HA 0.179 4.734 4.556 -0.000 0.000 0.324 138 H C -0.912 174.424 175.328 0.013 0.000 1.015 138 H CA 0.515 56.588 56.048 0.042 0.000 1.429 138 H CB 0.567 30.332 29.762 0.006 0.000 1.429 138 H HN -0.134 nan 8.280 nan 0.000 0.585 139 V N 8.596 128.230 119.914 -0.468 0.000 2.525 139 V HA 0.198 4.317 4.120 -0.000 0.000 0.299 139 V C -2.057 173.785 176.094 -0.420 0.000 1.034 139 V CA -1.593 60.553 62.300 -0.258 0.000 0.863 139 V CB 1.827 33.555 31.823 -0.159 0.000 0.999 139 V HN 0.761 nan 8.190 nan 0.000 0.423 140 P HA 0.178 nan 4.420 nan 0.000 0.269 140 P C -0.102 177.307 177.300 0.182 0.000 1.209 140 P CA 0.064 63.202 63.100 0.062 0.000 0.776 140 P CB 0.397 32.166 31.700 0.116 0.000 0.876 141 S N 2.220 117.983 115.700 0.104 0.000 2.572 141 S HA 0.155 4.625 4.470 -0.000 0.000 0.279 141 S C 0.418 175.072 174.600 0.090 0.000 1.341 141 S CA -0.340 57.919 58.200 0.098 0.000 1.043 141 S CB 0.096 63.319 63.200 0.038 0.000 0.887 141 S HN 0.278 nan 8.310 nan 0.000 0.516 142 R N 1.808 122.348 120.500 0.066 0.000 2.207 142 R HA 0.412 4.752 4.340 -0.000 0.000 0.334 142 R C 0.431 176.745 176.300 0.025 0.000 1.013 142 R CA -0.327 55.787 56.100 0.024 0.000 0.858 142 R CB 1.017 31.303 30.300 -0.023 0.000 1.094 142 R HN 0.806 nan 8.270 nan 0.000 0.457 143 T N -1.468 113.102 114.554 0.027 0.000 2.883 143 T HA 0.444 4.793 4.350 -0.000 0.000 0.284 143 T C 1.266 175.984 174.700 0.030 0.000 1.041 143 T CA -0.902 61.214 62.100 0.027 0.000 1.007 143 T CB 1.003 69.886 68.868 0.024 0.000 1.220 143 T HN 0.341 nan 8.240 nan 0.000 0.552 144 I N 0.694 121.281 120.570 0.028 0.000 2.339 144 I HA -0.013 4.157 4.170 -0.000 0.000 0.245 144 I C 2.688 178.818 176.117 0.022 0.000 1.096 144 I CA 1.387 62.704 61.300 0.027 0.000 1.408 144 I CB -0.263 37.752 38.000 0.025 0.000 1.092 144 I HN 0.926 nan 8.210 nan 0.000 0.423 145 T N -2.603 111.963 114.554 0.020 0.000 3.086 145 T HA 0.340 4.690 4.350 -0.000 0.000 0.250 145 T C 1.421 176.132 174.700 0.018 0.000 1.074 145 T CA 0.518 62.628 62.100 0.017 0.000 0.988 145 T CB 0.782 69.659 68.868 0.016 0.000 0.988 145 T HN 0.525 nan 8.240 nan 0.000 0.530 146 G N 0.811 109.623 108.800 0.021 0.000 2.213 146 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.226 146 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.226 146 G C 0.155 175.070 174.900 0.026 0.000 0.992 146 G CA 0.215 45.329 45.100 0.024 0.000 0.632 146 G HN 1.588 nan 8.290 nan 0.000 0.511 147 S N -1.281 114.432 115.700 0.022 0.000 2.533 147 S HA 0.637 5.107 4.470 -0.000 0.000 0.271 147 S C 0.912 175.522 174.600 0.015 0.000 1.143 147 S CA 0.350 58.563 58.200 0.021 0.000 0.891 147 S CB 1.851 65.063 63.200 0.020 0.000 1.105 147 S HN 0.858 nan 8.310 nan 0.000 0.468 148 V N 2.798 122.718 119.914 0.011 0.000 2.343 148 V HA -0.105 4.015 4.120 -0.000 0.000 0.247 148 V C 2.707 178.800 176.094 -0.000 0.000 1.051 148 V CA 2.429 64.730 62.300 0.002 0.000 1.036 148 V CB -0.969 30.849 31.823 -0.009 0.000 0.654 148 V HN 1.041 nan 8.190 nan 0.000 0.451 149 E N 0.321 120.521 120.200 0.000 0.000 2.058 149 E HA -0.311 4.039 4.350 -0.000 0.000 0.194 149 E C 2.326 178.929 176.600 0.004 0.000 0.997 149 E CA 1.861 58.261 56.400 0.000 0.000 0.801 149 E CB -0.127 29.574 29.700 0.002 0.000 0.746 149 E HN 0.544 nan 8.360 nan 0.000 0.450 150 K N 0.120 120.525 120.400 0.009 0.000 2.057 150 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 150 K C 1.698 178.305 176.600 0.012 0.000 1.049 150 K CA 1.880 58.173 56.287 0.011 0.000 0.931 150 K CB 0.004 32.512 32.500 0.013 0.000 0.714 150 K HN 0.082 nan 8.250 nan 0.000 0.440 151 D N 0.057 120.465 120.400 0.013 0.000 2.097 151 D HA -0.150 4.490 4.640 -0.000 0.000 0.195 151 D C 1.865 178.175 176.300 0.017 0.000 0.989 151 D CA 1.190 55.199 54.000 0.016 0.000 0.827 151 D CB -0.162 40.647 40.800 0.016 0.000 0.966 151 D HN 0.011 nan 8.370 nan 0.000 0.456 152 V N 0.957 120.877 119.914 0.010 0.000 2.343 152 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 152 V C 2.407 178.508 176.094 0.012 0.000 1.051 152 V CA 1.805 64.110 62.300 0.009 0.000 1.036 152 V CB -0.815 31.005 31.823 -0.005 0.000 0.654 152 V HN 0.203 nan 8.190 nan 0.000 0.451 153 A N 0.497 123.323 122.820 0.009 0.000 1.898 153 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 153 A C 2.155 179.748 177.584 0.016 0.000 1.181 153 A CA 1.992 54.035 52.037 0.010 0.000 0.620 153 A CB -0.411 18.593 19.000 0.007 0.000 0.819 153 A HN 0.711 nan 8.150 nan 0.000 0.442 154 I N -3.957 116.624 120.570 0.017 0.000 3.854 154 I HA 0.312 4.482 4.170 -0.000 0.000 0.312 154 I C -0.318 175.813 176.117 0.023 0.000 1.273 154 I CA -0.128 61.183 61.300 0.019 0.000 1.298 154 I CB 0.295 38.303 38.000 0.015 0.000 1.071 154 I HN -0.092 nan 8.210 nan 0.000 0.428 155 I N 4.589 125.176 120.570 0.028 0.000 2.291 155 I HA 0.048 4.218 4.170 -0.000 0.000 0.292 155 I C 1.075 177.220 176.117 0.047 0.000 1.064 155 I CA -0.038 61.281 61.300 0.031 0.000 1.269 155 I CB 0.505 38.523 38.000 0.030 0.000 1.418 155 I HN 0.361 nan 8.210 nan 0.000 0.485 156 D N 7.352 127.779 120.400 0.044 0.000 2.154 156 D HA -0.283 4.357 4.640 -0.000 0.000 0.190 156 D C 1.286 177.654 176.300 0.113 0.000 1.003 156 D CA 1.708 55.748 54.000 0.066 0.000 0.849 156 D CB 0.037 40.863 40.800 0.043 0.000 0.942 156 D HN 0.336 nan 8.370 nan 0.000 0.446 157 R N 0.193 120.744 120.500 0.085 0.000 2.276 157 R HA 0.191 4.530 4.340 -0.000 0.000 0.203 157 R C 0.283 176.713 176.300 0.217 0.000 1.017 157 R CA -0.175 56.003 56.100 0.130 0.000 1.010 157 R CB -0.717 29.579 30.300 -0.006 0.000 0.900 157 R HN 0.218 nan 8.270 nan 0.000 0.469 158 V N 3.133 123.129 119.914 0.136 0.000 2.530 158 V HA 0.095 4.215 4.120 -0.000 0.000 0.282 158 V C 1.573 177.725 176.094 0.097 0.000 1.048 158 V CA 0.011 62.374 62.300 0.105 0.000 0.997 158 V CB 1.125 32.982 31.823 0.057 0.000 0.987 158 V HN 0.221 nan 8.190 nan 0.000 0.477 159 I N 1.472 122.083 120.570 0.068 0.000 4.240 159 I HA 0.747 4.917 4.170 -0.000 0.000 0.331 159 I C 0.623 176.720 176.117 -0.034 0.000 1.381 159 I CA 0.201 61.499 61.300 -0.005 0.000 1.136 159 I CB 0.642 38.594 38.000 -0.080 0.000 1.137 159 I HN 0.670 nan 8.210 nan 0.000 0.411 160 G N 0.557 109.347 108.800 -0.016 0.000 2.335 160 G HA2 0.439 4.399 3.960 -0.000 0.000 0.291 160 G HA3 0.439 4.399 3.960 -0.000 0.000 0.291 160 G C -1.946 172.933 174.900 -0.035 0.000 1.261 160 G CA 0.129 45.209 45.100 -0.033 0.000 0.871 160 G HN 0.009 nan 8.290 nan 0.000 0.491 164 A N 1.128 123.873 122.820 -0.124 0.000 2.371 164 A HA 0.970 5.290 4.320 -0.000 0.000 0.311 164 A C -0.633 176.919 177.584 -0.054 0.000 1.068 164 A CA -0.264 51.641 52.037 -0.220 0.000 0.744 164 A CB 0.939 19.469 19.000 -0.783 0.000 1.239 164 A HN 2.171 nan 8.150 nan 0.000 0.435 165 I N -1.945 118.641 120.570 0.027 0.000 3.174 165 I HA 0.694 4.864 4.170 -0.000 0.000 0.313 165 I C 0.213 176.338 176.117 0.014 0.000 1.155 165 I CA -0.870 60.450 61.300 0.034 0.000 0.977 165 I CB 1.893 39.938 38.000 0.076 0.000 1.248 165 I HN 0.623 nan 8.210 nan 0.000 0.453 166 S N 1.102 116.805 115.700 0.006 0.000 3.486 166 S HA -0.205 4.265 4.470 -0.000 0.000 0.371 166 S C -0.370 174.244 174.600 0.023 0.000 1.001 166 S CA 1.439 59.643 58.200 0.007 0.000 1.164 166 S CB -1.632 61.557 63.200 -0.018 0.000 0.911 166 S HN 0.941 nan 8.310 nan 0.000 0.472 167 D N -0.624 119.790 120.400 0.024 0.000 2.857 167 D HA 0.164 4.804 4.640 -0.000 0.000 0.227 167 D C 1.010 177.309 176.300 -0.002 0.000 1.192 167 D CA -0.603 53.407 54.000 0.017 0.000 0.857 167 D CB 0.877 41.695 40.800 0.030 0.000 1.645 167 D HN 0.381 nan 8.370 nan 0.000 0.482 168 H N 2.439 121.552 119.070 0.071 0.000 2.560 168 H HA 0.049 4.605 4.556 0.000 0.000 0.283 168 H C 0.279 175.650 175.328 0.072 0.000 1.028 168 H CA 0.527 56.610 56.048 0.059 0.000 1.221 168 H CB 0.307 30.098 29.762 0.049 0.000 1.363 168 H HN 0.234 nan 8.280 nan 0.000 0.594 169 R N 1.337 121.716 120.500 -0.201 0.000 2.472 169 R HA 0.112 4.452 4.340 -0.000 0.000 0.279 169 R C 0.659 177.009 176.300 0.084 0.000 0.953 169 R CA 0.243 56.331 56.100 -0.020 0.000 1.088 169 R CB 0.800 31.102 30.300 0.004 0.000 1.197 169 R HN 0.301 nan 8.270 nan 0.000 0.536 170 S N -0.212 115.496 115.700 0.012 0.000 2.626 170 S HA 0.295 4.765 4.470 -0.000 0.000 0.257 170 S C 0.994 175.596 174.600 0.003 0.000 1.288 170 S CA -0.273 57.925 58.200 -0.002 0.000 0.980 170 S CB 1.486 64.667 63.200 -0.032 0.000 0.975 170 S HN 0.174 nan 8.310 nan 0.000 0.577 171 A N -0.113 122.669 122.820 -0.064 0.000 2.460 171 A HA 0.677 4.997 4.320 -0.000 0.000 0.258 171 A C 1.144 178.658 177.584 -0.117 0.000 1.300 171 A CA 0.156 52.109 52.037 -0.139 0.000 0.913 171 A CB -1.527 17.206 19.000 -0.445 0.000 1.031 171 A HN 2.293 nan 8.150 nan 0.000 0.512 172 A N 0.335 123.120 122.820 -0.058 0.000 2.610 172 A HA -0.082 4.238 4.320 -0.000 0.000 0.299 172 A C -1.636 175.918 177.584 -0.051 0.000 1.487 172 A CA 0.467 52.483 52.037 -0.034 0.000 0.743 172 A CB -2.102 16.889 19.000 -0.016 0.000 1.070 172 A HN 0.509 nan 8.150 nan 0.000 0.439 173 P HA 0.465 nan 4.420 nan 0.000 0.275 173 P C -0.223 177.101 177.300 0.040 0.000 1.228 173 P CA 0.036 63.111 63.100 -0.042 0.000 0.786 173 P CB 0.734 32.421 31.700 -0.022 0.000 0.927 174 D N 0.532 121.001 120.400 0.116 0.000 2.387 174 D HA 0.020 4.660 4.640 -0.000 0.000 0.255 174 D C 1.198 177.590 176.300 0.153 0.000 1.081 174 D CA -0.918 53.171 54.000 0.148 0.000 0.994 174 D CB 0.265 41.181 40.800 0.193 0.000 1.127 174 D HN 0.075 nan 8.370 nan 0.000 0.513 175 V N 0.503 120.493 119.914 0.126 0.000 2.282 175 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 175 V C 1.960 178.117 176.094 0.105 0.000 1.057 175 V CA 1.937 64.300 62.300 0.106 0.000 1.032 175 V CB -0.994 30.885 31.823 0.093 0.000 0.645 175 V HN 0.628 nan 8.190 nan 0.000 0.447 176 Y N 1.071 121.387 120.300 0.026 0.000 2.097 176 Y HA -0.310 4.240 4.550 -0.000 0.000 0.282 176 Y C 2.368 178.214 175.900 -0.091 0.000 1.152 176 Y CA 2.468 60.535 58.100 -0.055 0.000 1.136 176 Y CB -0.851 37.529 38.460 -0.132 0.000 0.975 176 Y HN 0.581 nan 8.280 nan 0.000 0.498 177 H N -0.522 118.424 119.070 -0.206 0.000 2.319 177 H HA -0.166 4.390 4.556 -0.000 0.000 0.299 177 H C 2.382 177.575 175.328 -0.226 0.000 1.092 177 H CA 2.202 58.086 56.048 -0.274 0.000 1.302 177 H CB -0.395 29.322 29.762 -0.074 0.000 1.373 177 H HN 0.324 nan 8.280 nan 0.000 0.497 178 L N -0.305 120.928 121.223 0.017 0.000 2.017 178 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 178 L C 2.724 179.584 176.870 -0.018 0.000 1.073 178 L CA 0.963 55.821 54.840 0.031 0.000 0.745 178 L CB -0.511 41.613 42.059 0.109 0.000 0.894 178 L HN 0.373 nan 8.230 nan 0.000 0.432 179 A N 0.265 123.048 122.820 -0.062 0.000 1.902 179 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 179 A C 2.001 179.509 177.584 -0.126 0.000 1.181 179 A CA 2.203 54.209 52.037 -0.052 0.000 0.623 179 A CB -0.816 18.179 19.000 -0.010 0.000 0.818 179 A HN 0.526 nan 8.150 nan 0.000 0.443 180 N N -0.524 117.979 118.700 -0.330 0.000 2.120 180 N HA -0.191 4.549 4.740 -0.000 0.000 0.188 180 N C 1.818 177.231 175.510 -0.161 0.000 1.024 180 N CA 2.097 54.953 53.050 -0.322 0.000 0.852 180 N CB -0.346 37.733 38.487 -0.681 0.000 1.003 180 N HN 0.529 nan 8.380 nan 0.000 0.424 181 M N -0.258 119.258 119.600 -0.140 0.000 2.086 181 M HA -0.119 4.361 4.480 -0.000 0.000 0.261 181 M C 1.954 178.217 176.300 -0.061 0.000 1.067 181 M CA 1.860 57.113 55.300 -0.079 0.000 1.116 181 M CB -0.233 32.326 32.600 -0.068 0.000 1.348 181 M HN 0.294 nan 8.290 nan 0.000 0.407 182 A N 0.321 123.115 122.820 -0.043 0.000 1.877 182 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 182 A C 2.310 179.890 177.584 -0.005 0.000 1.186 182 A CA 1.995 54.027 52.037 -0.009 0.000 0.620 182 A CB -1.214 17.828 19.000 0.071 0.000 0.822 182 A HN 0.685 nan 8.150 nan 0.000 0.443 183 A N -0.510 122.304 122.820 -0.011 0.000 1.969 183 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 183 A C 1.936 179.514 177.584 -0.012 0.000 1.169 183 A CA 1.531 53.565 52.037 -0.005 0.000 0.635 183 A CB -0.432 18.566 19.000 -0.003 0.000 0.810 183 A HN 0.636 nan 8.150 nan 0.000 0.445 184 E N -0.662 119.525 120.200 -0.022 0.000 2.072 184 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 184 E C 2.263 178.853 176.600 -0.018 0.000 0.982 184 E CA 1.085 57.474 56.400 -0.017 0.000 0.803 184 E CB -0.161 29.527 29.700 -0.020 0.000 0.755 184 E HN 0.594 nan 8.360 nan 0.000 0.453 185 S N 0.731 116.415 115.700 -0.026 0.000 2.368 185 S HA -0.171 4.299 4.470 -0.000 0.000 0.225 185 S C 2.056 176.640 174.600 -0.027 0.000 1.030 185 S CA 0.929 59.112 58.200 -0.029 0.000 0.999 185 S CB -0.057 63.118 63.200 -0.042 0.000 0.844 185 S HN 0.090 nan 8.310 nan 0.000 0.459 186 R N 0.967 121.454 120.500 -0.022 0.000 2.094 186 R HA -0.075 4.264 4.340 -0.000 0.000 0.239 186 R C 2.175 178.463 176.300 -0.021 0.000 1.137 186 R CA 2.127 58.214 56.100 -0.022 0.000 0.943 186 R CB -1.293 29.002 30.300 -0.009 0.000 0.850 186 R HN 0.436 nan 8.270 nan 0.000 0.433 187 V N 0.216 120.122 119.914 -0.013 0.000 2.358 187 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 187 V C 2.504 178.591 176.094 -0.011 0.000 1.047 187 V CA 1.949 64.243 62.300 -0.010 0.000 1.035 187 V CB -1.088 30.733 31.823 -0.003 0.000 0.658 187 V HN 0.599 nan 8.190 nan 0.000 0.452 188 G N 0.069 108.863 108.800 -0.011 0.000 2.422 188 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 188 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 188 G C 1.622 176.514 174.900 -0.013 0.000 1.146 188 G CA 0.965 46.060 45.100 -0.008 0.000 0.769 188 G HN 0.581 nan 8.290 nan 0.000 0.547 189 G N 1.037 109.823 108.800 -0.024 0.000 2.446 189 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 189 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 189 G C 1.805 176.685 174.900 -0.032 0.000 1.168 189 G CA 0.848 45.926 45.100 -0.036 0.000 0.771 189 G HN 0.427 nan 8.290 nan 0.000 0.551 190 L N -0.023 121.183 121.223 -0.028 0.000 1.989 190 L HA -0.084 4.256 4.340 -0.000 0.000 0.211 190 L C 2.973 179.834 176.870 -0.015 0.000 1.071 190 L CA 0.877 55.703 54.840 -0.023 0.000 0.749 190 L CB -0.556 41.492 42.059 -0.018 0.000 0.890 190 L HN 0.190 nan 8.230 nan 0.000 0.431 191 L N -0.487 120.730 121.223 -0.010 0.000 2.046 191 L HA -0.118 4.221 4.340 -0.000 0.000 0.208 191 L C 2.515 179.384 176.870 -0.001 0.000 1.077 191 L CA 1.430 56.267 54.840 -0.004 0.000 0.747 191 L CB -1.075 40.984 42.059 -0.000 0.000 0.896 191 L HN 0.344 nan 8.230 nan 0.000 0.432 192 G N -1.309 107.490 108.800 -0.001 0.000 2.712 192 G HA2 0.210 4.170 3.960 -0.000 0.000 0.212 192 G HA3 0.210 4.170 3.960 -0.000 0.000 0.212 192 G C 1.169 176.071 174.900 0.004 0.000 1.142 192 G CA 0.476 45.579 45.100 0.006 0.000 0.789 192 G HN 0.536 nan 8.290 nan 0.000 0.535 193 G N 0.020 108.814 108.800 -0.009 0.000 2.182 193 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.248 193 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.248 193 G C 0.144 175.025 174.900 -0.032 0.000 1.042 193 G CA 0.204 45.294 45.100 -0.016 0.000 0.775 193 G HN 0.487 nan 8.290 nan 0.000 0.501 194 K N -0.612 119.761 120.400 -0.045 0.000 2.238 194 K HA 0.543 4.863 4.320 -0.000 0.000 0.239 194 K C -1.564 174.970 176.600 -0.109 0.000 0.987 194 K CA -1.944 54.297 56.287 -0.075 0.000 0.857 194 K CB 2.024 34.494 32.500 -0.049 0.000 1.154 194 K HN -0.049 nan 8.250 nan 0.000 0.439 195 P HA -0.114 nan 4.420 nan 0.000 0.220 195 P C 0.562 177.763 177.300 -0.165 0.000 1.148 195 P CA 1.156 64.135 63.100 -0.203 0.000 0.803 195 P CB 0.095 31.615 31.700 -0.300 0.000 0.782 196 G N 0.369 109.098 108.800 -0.118 0.000 2.295 196 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.287 196 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.287 196 G C 0.209 175.062 174.900 -0.078 0.000 1.055 196 G CA 0.211 45.263 45.100 -0.080 0.000 0.922 196 G HN 0.549 nan 8.290 nan 0.000 0.503 197 V N -3.074 116.787 119.914 -0.088 0.000 3.170 197 V HA 0.943 5.063 4.120 -0.000 0.000 0.309 197 V C 0.480 176.564 176.094 -0.016 0.000 1.071 197 V CA -0.161 62.117 62.300 -0.037 0.000 1.063 197 V CB 1.911 33.722 31.823 -0.020 0.000 1.123 197 V HN 0.444 nan 8.190 nan 0.000 0.464 198 T N 1.732 116.293 114.554 0.012 0.000 2.840 198 T HA 0.582 4.932 4.350 -0.000 0.000 0.287 198 T C -0.603 173.962 174.700 -0.226 0.000 0.991 198 T CA -0.284 61.709 62.100 -0.178 0.000 0.964 198 T CB 1.331 70.030 68.868 -0.283 0.000 0.954 198 T HN 0.689 nan 8.240 nan 0.000 0.438 199 V N 4.425 124.165 119.914 -0.290 0.000 2.394 199 V HA 0.487 4.607 4.120 -0.000 0.000 0.282 199 V C -0.841 175.057 176.094 -0.327 0.000 1.031 199 V CA -0.755 61.449 62.300 -0.160 0.000 0.881 199 V CB 0.682 32.474 31.823 -0.052 0.000 0.982 199 V HN 0.796 nan 8.190 nan 0.000 0.451 200 F N 3.662 123.571 119.950 -0.069 0.000 2.308 200 F HA 0.358 4.885 4.527 -0.000 0.000 0.370 200 F C 0.543 176.270 175.800 -0.122 0.000 1.100 200 F CA -0.700 57.242 58.000 -0.096 0.000 1.108 200 F CB 0.370 39.280 39.000 -0.150 0.000 1.293 200 F HN 0.646 nan 8.300 nan 0.000 0.478 201 H N 4.253 123.296 119.070 -0.045 0.000 3.046 201 H HA 0.234 4.790 4.556 -0.000 0.000 0.303 201 H C -0.427 174.884 175.328 -0.029 0.000 1.002 201 H CA -0.383 55.625 56.048 -0.065 0.000 1.460 201 H CB 0.565 30.254 29.762 -0.121 0.000 1.493 201 H HN 0.357 nan 8.280 nan 0.000 0.559 202 M N 4.827 124.159 119.600 -0.446 0.000 2.318 202 M HA 0.308 4.788 4.480 -0.000 0.000 0.347 202 M C 0.894 176.956 176.300 -0.398 0.000 1.175 202 M CA -0.271 54.852 55.300 -0.296 0.000 1.075 202 M CB 1.442 33.938 32.600 -0.173 0.000 1.614 202 M HN 0.876 nan 8.290 nan 0.000 0.456 203 G N 0.948 109.666 108.800 -0.138 0.000 2.828 203 G HA2 0.413 4.373 3.960 -0.000 0.000 0.244 203 G HA3 0.413 4.373 3.960 -0.000 0.000 0.244 203 G C -0.269 174.631 174.900 0.002 0.000 1.365 203 G CA -0.368 44.724 45.100 -0.015 0.000 1.041 203 G HN 0.655 nan 8.290 nan 0.000 0.560 204 D N -0.160 120.272 120.400 0.053 0.000 2.388 204 D HA 0.150 4.790 4.640 -0.000 0.000 0.221 204 D C 1.109 177.436 176.300 0.044 0.000 1.133 204 D CA 0.034 54.061 54.000 0.045 0.000 0.831 204 D CB 0.624 41.458 40.800 0.057 0.000 0.962 204 D HN 0.212 nan 8.370 nan 0.000 0.502 205 S N 0.405 116.130 115.700 0.043 0.000 2.563 205 S HA -0.023 4.447 4.470 -0.000 0.000 0.284 205 S C 1.407 176.020 174.600 0.022 0.000 1.331 205 S CA -0.092 58.130 58.200 0.036 0.000 1.047 205 S CB 1.239 64.459 63.200 0.032 0.000 0.859 205 S HN -0.104 nan 8.310 nan 0.000 0.514 206 K N 2.597 123.010 120.400 0.021 0.000 2.280 206 K HA -0.008 4.312 4.320 -0.000 0.000 0.202 206 K C 1.806 178.413 176.600 0.012 0.000 1.047 206 K CA 1.196 57.493 56.287 0.015 0.000 0.942 206 K CB -0.056 32.452 32.500 0.015 0.000 0.739 206 K HN 0.502 nan 8.250 nan 0.000 0.457 207 K N 0.194 120.601 120.400 0.011 0.000 2.280 207 K HA -0.030 4.290 4.320 -0.000 0.000 0.202 207 K C 0.893 177.494 176.600 0.001 0.000 1.047 207 K CA 0.708 57.000 56.287 0.009 0.000 0.942 207 K CB -0.164 32.343 32.500 0.010 0.000 0.739 207 K HN 0.254 nan 8.250 nan 0.000 0.457 208 A N 0.389 123.203 122.820 -0.010 0.000 5.324 208 A HA -0.345 3.975 4.320 -0.000 0.000 0.337 208 A C 1.215 178.756 177.584 -0.072 0.000 1.730 208 A CA 1.953 53.971 52.037 -0.032 0.000 0.711 208 A CB -1.562 17.429 19.000 -0.015 0.000 1.434 208 A HN 0.220 nan 8.150 nan 0.000 0.400 209 L N -0.016 121.163 121.223 -0.074 0.000 2.610 209 L HA -0.083 4.257 4.340 -0.000 0.000 0.232 209 L C 2.416 179.243 176.870 -0.071 0.000 1.149 209 L CA 1.218 55.954 54.840 -0.173 0.000 0.872 209 L CB -0.498 41.426 42.059 -0.226 0.000 0.992 209 L HN 0.783 nan 8.230 nan 0.000 0.447 210 Q N 1.346 121.174 119.800 0.048 0.000 2.096 210 Q HA -0.195 4.145 4.340 -0.000 0.000 0.208 210 Q C -0.617 175.403 176.000 0.034 0.000 0.993 210 Q CA 2.299 58.164 55.803 0.105 0.000 0.862 210 Q CB -1.121 27.656 28.738 0.064 0.000 0.915 210 Q HN 0.265 nan 8.270 nan 0.000 0.416 211 P HA -0.122 nan 4.420 nan 0.000 0.218 211 P C 0.860 178.077 177.300 -0.138 0.000 1.148 211 P CA 1.241 64.305 63.100 -0.060 0.000 0.822 211 P CB -0.119 31.550 31.700 -0.051 0.000 0.784 212 I N -2.636 117.734 120.570 -0.333 0.000 2.202 212 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 212 I C 2.209 178.154 176.117 -0.287 0.000 1.091 212 I CA 1.504 62.502 61.300 -0.504 0.000 1.368 212 I CB -0.815 36.636 38.000 -0.915 0.000 1.058 212 I HN -0.088 nan 8.210 nan 0.000 0.410 213 Y N 1.406 121.656 120.300 -0.084 0.000 2.181 213 Y HA -0.251 4.299 4.550 -0.000 0.000 0.288 213 Y C 2.398 178.294 175.900 -0.006 0.000 1.146 213 Y CA 1.308 59.400 58.100 -0.012 0.000 1.164 213 Y CB -0.694 37.761 38.460 -0.008 0.000 0.982 213 Y HN 0.208 nan 8.280 nan 0.000 0.515 214 D N -0.076 120.400 120.400 0.128 0.000 2.144 214 D HA -0.185 4.455 4.640 -0.000 0.000 0.199 214 D C 2.294 178.634 176.300 0.067 0.000 0.984 214 D CA 1.002 55.053 54.000 0.086 0.000 0.834 214 D CB -0.621 40.217 40.800 0.064 0.000 0.955 214 D HN 0.333 nan 8.370 nan 0.000 0.465 215 L N 0.305 121.551 121.223 0.038 0.000 2.046 215 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 215 L C 2.249 179.151 176.870 0.054 0.000 1.077 215 L CA 0.973 55.839 54.840 0.043 0.000 0.747 215 L CB -0.114 41.962 42.059 0.030 0.000 0.896 215 L HN -0.007 nan 8.230 nan 0.000 0.432 216 L N -0.537 120.718 121.223 0.053 0.000 2.201 216 L HA -0.149 4.190 4.340 -0.000 0.000 0.212 216 L C 2.445 179.359 176.870 0.073 0.000 1.105 216 L CA 0.644 55.525 54.840 0.068 0.000 0.775 216 L CB -0.449 41.664 42.059 0.090 0.000 0.913 216 L HN 0.291 nan 8.230 nan 0.000 0.440 217 E N -0.112 120.136 120.200 0.080 0.000 2.285 217 E HA -0.050 4.299 4.350 -0.000 0.000 0.194 217 E C 1.103 177.738 176.600 0.058 0.000 0.997 217 E CA 0.573 57.014 56.400 0.068 0.000 0.845 217 E CB 0.064 29.805 29.700 0.069 0.000 0.782 217 E HN 0.507 nan 8.360 nan 0.000 0.491 218 N N -0.137 118.601 118.700 0.063 0.000 2.214 218 N HA 0.056 4.795 4.740 -0.000 0.000 0.214 218 N C 0.297 175.846 175.510 0.066 0.000 1.132 218 N CA 0.254 53.343 53.050 0.066 0.000 0.856 218 N CB 0.736 39.272 38.487 0.080 0.000 1.020 218 N HN 0.179 nan 8.380 nan 0.000 0.509 219 C N -2.420 116.914 119.300 0.056 0.000 3.253 219 C HA 0.401 4.861 4.460 -0.000 0.000 0.362 219 C C -0.750 174.266 174.990 0.043 0.000 1.487 219 C CA -0.781 58.267 59.018 0.050 0.000 1.179 219 C CB 1.421 29.190 27.740 0.049 0.000 1.660 219 C HN 0.085 nan 8.230 nan 0.000 0.438 220 D N 0.672 121.094 120.400 0.037 0.000 2.571 220 D HA 0.225 4.865 4.640 -0.000 0.000 0.239 220 D C 0.112 176.429 176.300 0.028 0.000 1.267 220 D CA 0.276 54.294 54.000 0.030 0.000 0.823 220 D CB 1.338 42.152 40.800 0.023 0.000 1.056 220 D HN 0.435 nan 8.370 nan 0.000 0.494 221 V N 2.897 122.832 119.914 0.036 0.000 2.585 221 V HA 0.064 4.184 4.120 -0.000 0.000 0.296 221 V C -1.872 174.245 176.094 0.038 0.000 1.035 221 V CA -0.848 61.474 62.300 0.037 0.000 1.084 221 V CB 0.516 32.373 31.823 0.056 0.000 0.953 221 V HN -0.026 nan 8.190 nan 0.000 0.483 222 P HA 0.163 nan 4.420 nan 0.000 0.268 222 P C 1.023 178.347 177.300 0.040 0.000 1.205 222 P CA -0.053 63.058 63.100 0.019 0.000 0.771 222 P CB 0.593 32.294 31.700 0.001 0.000 0.858 223 I N 2.428 123.010 120.570 0.019 0.000 2.423 223 I HA -0.285 3.884 4.170 -0.000 0.000 0.254 223 I C 1.645 177.798 176.117 0.061 0.000 1.151 223 I CA 1.781 63.089 61.300 0.014 0.000 1.421 223 I CB -0.023 37.908 38.000 -0.114 0.000 1.079 223 I HN 0.340 nan 8.210 nan 0.000 0.431 224 S N -0.136 115.592 115.700 0.048 0.000 2.595 224 S HA -0.039 4.431 4.470 -0.000 0.000 0.235 224 S C 1.564 176.254 174.600 0.150 0.000 0.974 224 S CA 0.338 58.601 58.200 0.105 0.000 0.942 224 S CB -0.202 63.016 63.200 0.030 0.000 0.766 224 S HN 0.382 nan 8.310 nan 0.000 0.536 225 K N 0.763 121.243 120.400 0.133 0.000 2.353 225 K HA 0.381 4.701 4.320 -0.000 0.000 0.195 225 K C -0.062 176.717 176.600 0.300 0.000 1.031 225 K CA 0.075 56.428 56.287 0.111 0.000 1.079 225 K CB 0.167 32.693 32.500 0.043 0.000 0.857 225 K HN 0.455 nan 8.250 nan 0.000 0.535 226 L N 1.994 123.450 121.223 0.389 0.000 2.262 226 L HA 0.376 4.716 4.340 -0.000 0.000 0.288 226 L C -0.509 176.638 176.870 0.462 0.000 1.035 226 L CA -0.860 54.275 54.840 0.492 0.000 0.820 226 L CB 0.876 43.166 42.059 0.385 0.000 1.204 226 L HN -0.173 nan 8.230 nan 0.000 0.424 227 L N 7.272 128.755 121.223 0.433 0.000 2.295 227 L HA 0.595 4.935 4.340 -0.000 0.000 0.281 227 L C -2.343 174.600 176.870 0.121 0.000 1.018 227 L CA -1.561 53.377 54.840 0.163 0.000 0.841 227 L CB 1.280 43.347 42.059 0.013 0.000 1.218 227 L HN 0.244 nan 8.230 nan 0.000 0.424 228 P HA 0.220 nan 4.420 nan 0.000 0.280 228 P C -0.814 176.390 177.300 -0.160 0.000 1.244 228 P CA -0.224 62.772 63.100 -0.174 0.000 0.784 228 P CB 1.482 32.929 31.700 -0.422 0.000 0.913 229 T N 1.589 116.019 114.554 -0.205 0.000 2.942 229 T HA 0.375 4.725 4.350 -0.000 0.000 0.289 229 T C 0.049 174.483 174.700 -0.443 0.000 1.044 229 T CA -0.124 61.774 62.100 -0.336 0.000 1.023 229 T CB 0.147 68.794 68.868 -0.368 0.000 1.123 229 T HN 0.538 nan 8.240 nan 0.000 0.512 230 H N 0.113 119.114 119.070 -0.116 0.000 2.936 230 H HA -0.142 4.414 4.556 -0.000 0.000 0.276 230 H C 1.496 176.773 175.328 -0.084 0.000 1.216 230 H CA 0.860 56.828 56.048 -0.133 0.000 1.132 230 H CB -2.513 27.123 29.762 -0.211 0.000 1.303 230 H HN 0.507 nan 8.280 nan 0.000 0.370 231 V N -0.193 119.741 119.914 0.033 0.000 2.688 231 V HA -0.275 3.845 4.120 -0.000 0.000 0.256 231 V C 1.962 178.190 176.094 0.224 0.000 1.084 231 V CA 2.184 64.538 62.300 0.090 0.000 1.103 231 V CB -0.214 31.643 31.823 0.056 0.000 0.688 231 V HN 0.558 nan 8.190 nan 0.000 0.480 232 N N 2.138 120.925 118.700 0.146 0.000 2.383 232 N HA -0.096 4.643 4.740 -0.000 0.000 0.192 232 N C 1.704 177.195 175.510 -0.031 0.000 1.141 232 N CA 0.870 53.921 53.050 0.001 0.000 0.851 232 N CB -0.688 37.697 38.487 -0.171 0.000 0.976 232 N HN 0.803 nan 8.380 nan 0.000 0.465 233 R N 0.587 121.094 120.500 0.011 0.000 2.148 233 R HA -0.062 4.278 4.340 -0.000 0.000 0.227 233 R C -0.343 175.954 176.300 -0.006 0.000 1.103 233 R CA 1.015 57.106 56.100 -0.014 0.000 0.983 233 R CB -0.597 29.690 30.300 -0.022 0.000 0.874 233 R HN 0.421 nan 8.270 nan 0.000 0.451 234 N N -2.176 116.538 118.700 0.023 0.000 2.405 234 N HA 0.115 4.855 4.740 -0.000 0.000 0.274 234 N C 0.160 175.714 175.510 0.073 0.000 1.170 234 N CA -0.710 52.358 53.050 0.030 0.000 0.848 234 N CB 1.800 40.301 38.487 0.024 0.000 1.629 234 N HN -0.223 nan 8.380 nan 0.000 0.481 235 V N 0.547 120.498 119.914 0.062 0.000 2.255 235 V HA -0.058 4.061 4.120 -0.000 0.000 0.247 235 V C -0.963 175.207 176.094 0.126 0.000 1.051 235 V CA 1.839 64.201 62.300 0.105 0.000 1.018 235 V CB -1.530 30.332 31.823 0.066 0.000 0.641 235 V HN 0.700 nan 8.190 nan 0.000 0.445 236 P HA -0.151 nan 4.420 nan 0.000 0.215 236 P C 1.956 179.288 177.300 0.053 0.000 1.153 236 P CA 1.284 64.418 63.100 0.056 0.000 0.853 236 P CB -0.110 31.611 31.700 0.035 0.000 0.788 237 L N -1.379 119.878 121.223 0.057 0.000 2.027 237 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 237 L C 2.322 179.222 176.870 0.050 0.000 1.074 237 L CA 1.713 56.573 54.840 0.034 0.000 0.745 237 L CB -1.564 40.508 42.059 0.023 0.000 0.898 237 L HN -0.184 nan 8.230 nan 0.000 0.433 238 F N 0.613 120.551 119.950 -0.021 0.000 2.095 238 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 238 F C 2.408 178.210 175.800 0.002 0.000 1.104 238 F CA 1.953 59.943 58.000 -0.016 0.000 1.232 238 F CB -0.244 38.746 39.000 -0.017 0.000 0.987 238 F HN 0.171 nan 8.300 nan 0.000 0.475 239 E N 0.220 120.426 120.200 0.011 0.000 2.110 239 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 239 E C 2.224 178.764 176.600 -0.099 0.000 0.988 239 E CA 1.307 57.668 56.400 -0.065 0.000 0.804 239 E CB -0.510 29.215 29.700 0.042 0.000 0.745 239 E HN 0.631 nan 8.360 nan 0.000 0.458 240 Q N -0.121 119.650 119.800 -0.049 0.000 2.119 240 Q HA -0.073 4.267 4.340 -0.000 0.000 0.201 240 Q C 2.130 178.122 176.000 -0.013 0.000 0.972 240 Q CA 1.182 56.983 55.803 -0.004 0.000 0.847 240 Q CB -0.106 28.645 28.738 0.021 0.000 0.903 240 Q HN 0.206 nan 8.270 nan 0.000 0.433 241 A N 0.915 123.658 122.820 -0.128 0.000 1.933 241 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 241 A C 2.042 179.550 177.584 -0.126 0.000 1.175 241 A CA 1.017 52.968 52.037 -0.143 0.000 0.628 241 A CB -0.613 18.250 19.000 -0.228 0.000 0.814 241 A HN 0.288 nan 8.150 nan 0.000 0.444 242 L N -0.817 120.235 121.223 -0.284 0.000 2.083 242 L HA -0.164 4.175 4.340 -0.000 0.000 0.209 242 L C 2.644 179.475 176.870 -0.065 0.000 1.083 242 L CA 1.222 55.931 54.840 -0.219 0.000 0.752 242 L CB -0.587 41.312 42.059 -0.266 0.000 0.899 242 L HN 0.315 nan 8.230 nan 0.000 0.433 243 E N -0.075 120.117 120.200 -0.012 0.000 2.072 243 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 243 E C 2.002 178.672 176.600 0.117 0.000 0.985 243 E CA 1.212 57.640 56.400 0.047 0.000 0.801 243 E CB -0.301 29.434 29.700 0.059 0.000 0.750 243 E HN 0.377 nan 8.360 nan 0.000 0.452 244 F N 1.393 121.356 119.950 0.022 0.000 2.134 244 F HA -0.179 4.348 4.527 0.000 0.000 0.299 244 F C 2.157 177.939 175.800 -0.030 0.000 1.097 244 F CA 1.568 59.580 58.000 0.019 0.000 1.264 244 F CB -0.270 38.677 39.000 -0.089 0.000 1.001 244 F HN -0.012 nan 8.300 nan 0.000 0.479 245 A N 0.612 123.428 122.820 -0.007 0.000 1.930 245 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 245 A C 2.323 179.833 177.584 -0.124 0.000 1.175 245 A CA 1.423 53.396 52.037 -0.106 0.000 0.627 245 A CB -0.674 18.305 19.000 -0.034 0.000 0.815 245 A HN 0.438 nan 8.150 nan 0.000 0.443 246 R N -0.127 120.328 120.500 -0.076 0.000 2.120 246 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 246 R C 1.455 177.705 176.300 -0.083 0.000 1.123 246 R CA 1.507 57.570 56.100 -0.062 0.000 0.975 246 R CB -0.241 30.038 30.300 -0.036 0.000 0.866 246 R HN 0.463 nan 8.270 nan 0.000 0.446 247 K N -0.622 119.707 120.400 -0.117 0.000 2.525 247 K HA 0.055 4.374 4.320 -0.000 0.000 0.192 247 K C 0.862 177.350 176.600 -0.187 0.000 1.029 247 K CA 0.549 56.759 56.287 -0.127 0.000 1.029 247 K CB 0.658 33.102 32.500 -0.093 0.000 0.814 247 K HN 0.407 nan 8.250 nan 0.000 0.503 248 G N 0.378 109.048 108.800 -0.216 0.000 2.211 248 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.201 248 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.201 248 G C 0.391 175.133 174.900 -0.264 0.000 0.997 248 G CA -0.449 44.537 45.100 -0.189 0.000 0.652 248 G HN 0.471 nan 8.290 nan 0.000 0.500 249 G N -0.546 107.926 108.800 -0.546 0.000 2.562 249 G HA2 0.561 4.521 3.960 -0.000 0.000 0.275 249 G HA3 0.561 4.521 3.960 -0.000 0.000 0.275 249 G C -0.202 174.595 174.900 -0.172 0.000 1.196 249 G CA 0.635 45.367 45.100 -0.612 0.000 0.908 249 G HN 0.486 nan 8.290 nan 0.000 0.524 250 T N 0.426 115.007 114.554 0.045 0.000 2.855 250 T HA 0.528 4.878 4.350 -0.000 0.000 0.281 250 T C 0.092 174.791 174.700 -0.002 0.000 1.007 250 T CA -0.127 61.965 62.100 -0.014 0.000 1.009 250 T CB 1.076 69.882 68.868 -0.103 0.000 0.983 250 T HN 0.569 nan 8.240 nan 0.000 0.455 251 I N -0.172 120.368 120.570 -0.051 0.000 2.569 251 I HA 0.780 4.950 4.170 -0.000 0.000 0.296 251 I C -1.126 174.923 176.117 -0.113 0.000 1.028 251 I CA -1.019 60.249 61.300 -0.054 0.000 1.082 251 I CB 2.157 40.151 38.000 -0.011 0.000 1.264 251 I HN 0.370 nan 8.210 nan 0.000 0.429 252 D N 5.598 125.924 120.400 -0.123 0.000 2.381 252 D HA 0.535 5.175 4.640 -0.000 0.000 0.235 252 D C -0.846 175.415 176.300 -0.066 0.000 1.068 252 D CA -0.307 53.623 54.000 -0.116 0.000 0.832 252 D CB 1.485 42.199 40.800 -0.142 0.000 1.101 252 D HN 0.539 nan 8.370 nan 0.000 0.515 253 I N 2.841 123.387 120.570 -0.038 0.000 2.396 253 I HA 0.217 4.387 4.170 -0.000 0.000 0.292 253 I C 0.261 176.354 176.117 -0.041 0.000 0.999 253 I CA -0.425 60.866 61.300 -0.015 0.000 1.310 253 I CB 1.720 39.718 38.000 -0.003 0.000 1.404 253 I HN 0.290 nan 8.210 nan 0.000 0.496 254 T N 3.993 118.531 114.554 -0.025 0.000 2.728 254 T HA 0.063 4.413 4.350 -0.000 0.000 0.296 254 T C 1.209 175.874 174.700 -0.058 0.000 0.940 254 T CA -0.508 61.575 62.100 -0.028 0.000 1.013 254 T CB 1.167 70.059 68.868 0.041 0.000 0.912 254 T HN 0.811 nan 8.240 nan 0.000 0.484 255 S N 2.247 117.908 115.700 -0.065 0.000 2.442 255 S HA -0.122 4.348 4.470 -0.000 0.000 0.236 255 S C 1.971 176.527 174.600 -0.074 0.000 1.007 255 S CA 1.027 59.181 58.200 -0.077 0.000 0.965 255 S CB -0.363 62.795 63.200 -0.071 0.000 0.773 255 S HN 0.680 nan 8.310 nan 0.000 0.504 256 S N 0.336 115.993 115.700 -0.073 0.000 2.575 256 S HA 0.383 4.853 4.470 -0.000 0.000 0.215 256 S C 0.353 174.905 174.600 -0.080 0.000 0.966 256 S CA -0.598 57.554 58.200 -0.079 0.000 0.911 256 S CB -0.602 62.542 63.200 -0.094 0.000 0.780 256 S HN 0.555 nan 8.310 nan 0.000 0.514 257 I N 3.409 123.931 120.570 -0.080 0.000 2.330 257 I HA 0.241 4.411 4.170 -0.000 0.000 0.286 257 I C 0.278 176.345 176.117 -0.084 0.000 1.025 257 I CA -0.526 60.726 61.300 -0.081 0.000 1.197 257 I CB 1.422 39.374 38.000 -0.079 0.000 1.358 257 I HN 0.202 nan 8.210 nan 0.000 0.467 258 D N 4.289 124.644 120.400 -0.075 0.000 2.360 258 D HA 0.062 4.702 4.640 -0.000 0.000 0.210 258 D C 0.100 176.357 176.300 -0.073 0.000 1.047 258 D CA 0.266 54.222 54.000 -0.073 0.000 0.854 258 D CB 0.512 41.279 40.800 -0.056 0.000 0.936 258 D HN 0.481 nan 8.370 nan 0.000 0.514 259 E N -0.373 119.784 120.200 -0.072 0.000 2.390 259 E HA 0.289 4.639 4.350 -0.000 0.000 0.277 259 E C -2.260 174.299 176.600 -0.068 0.000 0.939 259 E CA -1.644 54.717 56.400 -0.066 0.000 0.769 259 E CB 2.662 32.334 29.700 -0.046 0.000 1.251 259 E HN -0.200 nan 8.360 nan 0.000 0.450 260 P HA 0.061 nan 4.420 nan 0.000 0.251 260 P C -0.198 177.035 177.300 -0.112 0.000 1.223 260 P CA 0.330 63.389 63.100 -0.068 0.000 0.796 260 P CB 0.481 32.153 31.700 -0.046 0.000 1.068 261 V N 0.923 120.734 119.914 -0.172 0.000 2.350 261 V HA 0.545 4.665 4.120 -0.000 0.000 0.285 261 V C 0.491 176.429 176.094 -0.260 0.000 1.014 261 V CA -1.318 60.806 62.300 -0.293 0.000 0.831 261 V CB 1.036 32.501 31.823 -0.598 0.000 1.000 261 V HN 0.068 nan 8.190 nan 0.000 0.433 262 A N 7.724 130.421 122.820 -0.205 0.000 2.425 262 A HA 0.544 4.863 4.320 -0.000 0.000 0.242 262 A C -1.074 176.369 177.584 -0.235 0.000 1.077 262 A CA -0.925 51.009 52.037 -0.171 0.000 0.781 262 A CB 0.106 19.044 19.000 -0.105 0.000 1.020 262 A HN 0.639 nan 8.150 nan 0.000 0.494 263 P HA -0.196 nan 4.420 nan 0.000 0.215 263 P C 1.531 178.649 177.300 -0.304 0.000 1.157 263 P CA 2.470 65.441 63.100 -0.216 0.000 0.868 263 P CB -0.011 31.588 31.700 -0.169 0.000 0.788 264 A N 0.181 122.776 122.820 -0.376 0.000 1.930 264 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 264 A C 2.390 179.438 177.584 -0.894 0.000 1.175 264 A CA 1.753 53.403 52.037 -0.646 0.000 0.627 264 A CB -1.373 17.222 19.000 -0.675 0.000 0.815 264 A HN 0.264 nan 8.150 nan 0.000 0.443 265 E N -0.290 119.495 120.200 -0.691 0.000 2.077 265 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 265 E C 2.027 178.437 176.600 -0.317 0.000 0.989 265 E CA 1.130 57.240 56.400 -0.483 0.000 0.800 265 E CB -0.443 29.159 29.700 -0.164 0.000 0.746 265 E HN 0.487 nan 8.360 nan 0.000 0.452 266 G N 1.220 109.805 108.800 -0.359 0.000 2.408 266 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 266 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 266 G C 1.601 176.543 174.900 0.070 0.000 1.150 266 G CA 0.756 45.673 45.100 -0.305 0.000 0.776 266 G HN 0.253 nan 8.290 nan 0.000 0.542 267 I N 1.262 121.773 120.570 -0.098 0.000 2.252 267 I HA -0.138 4.032 4.170 -0.000 0.000 0.245 267 I C 3.252 179.420 176.117 0.085 0.000 1.102 267 I CA 0.942 62.215 61.300 -0.046 0.000 1.385 267 I CB -0.119 37.746 38.000 -0.225 0.000 1.064 267 I HN 0.239 nan 8.210 nan 0.000 0.414 268 A N 0.718 123.539 122.820 0.001 0.000 1.898 268 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 268 A C 2.361 180.079 177.584 0.223 0.000 1.181 268 A CA 1.416 53.608 52.037 0.258 0.000 0.620 268 A CB -0.521 18.627 19.000 0.245 0.000 0.819 268 A HN 0.300 nan 8.150 nan 0.000 0.442 269 R N -0.546 120.068 120.500 0.190 0.000 2.115 269 R HA -0.010 4.330 4.340 -0.000 0.000 0.230 269 R C 2.390 178.815 176.300 0.209 0.000 1.111 269 R CA 1.002 57.243 56.100 0.235 0.000 0.976 269 R CB -0.373 30.142 30.300 0.358 0.000 0.870 269 R HN 0.523 nan 8.270 nan 0.000 0.445 270 A N 0.515 123.465 122.820 0.217 0.000 1.898 270 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 270 A C 2.286 179.926 177.584 0.092 0.000 1.181 270 A CA 1.223 53.329 52.037 0.115 0.000 0.620 270 A CB -0.499 18.564 19.000 0.105 0.000 0.819 270 A HN 0.107 nan 8.150 nan 0.000 0.442 271 V N 0.207 120.200 119.914 0.133 0.000 2.332 271 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 271 V C 2.547 178.677 176.094 0.060 0.000 1.055 271 V CA 2.306 64.661 62.300 0.093 0.000 1.038 271 V CB -0.916 30.972 31.823 0.109 0.000 0.651 271 V HN 0.668 nan 8.190 nan 0.000 0.450 272 Q N -0.337 119.514 119.800 0.085 0.000 2.437 272 Q HA -0.017 4.323 4.340 -0.000 0.000 0.210 272 Q C 1.907 177.936 176.000 0.048 0.000 0.972 272 Q CA 1.201 57.043 55.803 0.065 0.000 0.903 272 Q CB -0.234 28.558 28.738 0.091 0.000 0.967 272 Q HN 0.667 nan 8.270 nan 0.000 0.486 273 A N -0.223 122.624 122.820 0.045 0.000 2.307 273 A HA 0.406 4.726 4.320 -0.000 0.000 0.218 273 A C 1.367 178.956 177.584 0.008 0.000 1.228 273 A CA 0.539 52.588 52.037 0.021 0.000 0.857 273 A CB -0.055 18.947 19.000 0.002 0.000 0.897 273 A HN 0.392 nan 8.150 nan 0.000 0.495 274 G N -0.724 108.083 108.800 0.011 0.000 2.157 274 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.248 274 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.248 274 G C 0.071 174.970 174.900 -0.001 0.000 0.979 274 G CA 0.218 45.319 45.100 0.002 0.000 0.650 274 G HN 0.462 nan 8.290 nan 0.000 0.529 275 I N 2.665 123.238 120.570 0.004 0.000 2.395 275 I HA 0.350 4.520 4.170 -0.000 0.000 0.289 275 I C -1.630 174.496 176.117 0.015 0.000 1.023 275 I CA -2.232 59.069 61.300 0.002 0.000 1.350 275 I CB 1.097 39.096 38.000 -0.003 0.000 1.409 275 I HN -0.116 nan 8.210 nan 0.000 0.507 276 P HA 0.150 nan 4.420 nan 0.000 0.275 276 P C 0.737 178.059 177.300 0.036 0.000 1.227 276 P CA -0.325 62.788 63.100 0.021 0.000 0.781 276 P CB 0.786 32.496 31.700 0.016 0.000 0.906 277 L N 1.689 122.944 121.223 0.052 0.000 2.189 277 L HA -0.246 4.094 4.340 -0.000 0.000 0.214 277 L C 2.293 179.195 176.870 0.054 0.000 1.097 277 L CA 1.718 56.600 54.840 0.070 0.000 0.764 277 L CB -0.835 41.283 42.059 0.098 0.000 0.900 277 L HN 0.430 nan 8.230 nan 0.000 0.436 278 A N -0.151 122.698 122.820 0.048 0.000 2.125 278 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 278 A C 2.112 179.727 177.584 0.052 0.000 1.156 278 A CA 1.225 53.294 52.037 0.053 0.000 0.671 278 A CB -0.344 18.685 19.000 0.048 0.000 0.794 278 A HN 0.396 nan 8.150 nan 0.000 0.459 279 R N -0.854 119.666 120.500 0.033 0.000 2.507 279 R HA 0.283 4.623 4.340 -0.000 0.000 0.298 279 R C -1.059 175.233 176.300 -0.012 0.000 0.999 279 R CA 0.021 56.131 56.100 0.016 0.000 1.082 279 R CB 0.610 30.911 30.300 0.002 0.000 1.246 279 R HN 0.254 nan 8.270 nan 0.000 0.553 280 V N 1.193 121.105 119.914 -0.004 0.000 2.483 280 V HA 0.280 4.400 4.120 -0.000 0.000 0.297 280 V C 0.110 176.184 176.094 -0.033 0.000 1.027 280 V CA -0.764 61.527 62.300 -0.016 0.000 0.855 280 V CB 1.898 33.733 31.823 0.020 0.000 0.995 280 V HN 0.233 nan 8.190 nan 0.000 0.424 281 T N 2.640 117.151 114.554 -0.072 0.000 2.924 281 T HA 0.869 5.219 4.350 -0.000 0.000 0.291 281 T C -1.059 173.599 174.700 -0.069 0.000 1.045 281 T CA -0.806 61.251 62.100 -0.072 0.000 1.015 281 T CB 2.152 70.957 68.868 -0.105 0.000 1.103 281 T HN 0.456 nan 8.240 nan 0.000 0.496 282 L N 1.998 123.181 121.223 -0.067 0.000 2.385 282 L HA 0.790 5.130 4.340 -0.000 0.000 0.273 282 L C -0.473 176.372 176.870 -0.042 0.000 0.990 282 L CA -0.052 54.744 54.840 -0.074 0.000 0.821 282 L CB 2.113 44.100 42.059 -0.120 0.000 1.279 282 L HN 1.147 nan 8.230 nan 0.000 0.412 283 S N 1.154 116.842 115.700 -0.019 0.000 2.627 283 S HA 0.558 5.028 4.470 -0.000 0.000 0.283 283 S C 0.438 175.057 174.600 0.031 0.000 1.127 283 S CA 0.021 58.248 58.200 0.044 0.000 0.863 283 S CB 1.491 64.757 63.200 0.108 0.000 1.121 283 S HN 0.762 nan 8.310 nan 0.000 0.479 284 S N -0.108 115.651 115.700 0.098 0.000 2.456 284 S HA 0.106 4.576 4.470 -0.000 0.000 0.224 284 S C 0.553 175.145 174.600 -0.012 0.000 1.035 284 S CA 1.010 59.238 58.200 0.046 0.000 0.940 284 S CB -0.771 62.498 63.200 0.115 0.000 0.799 284 S HN 0.989 nan 8.310 nan 0.000 0.508 285 D N 1.373 121.812 120.400 0.065 0.000 2.907 285 D HA -0.092 4.548 4.640 -0.000 0.000 0.226 285 D C 0.280 176.651 176.300 0.118 0.000 1.141 285 D CA 0.959 55.039 54.000 0.133 0.000 0.779 285 D CB -1.609 39.167 40.800 -0.040 0.000 1.095 285 D HN 0.680 nan 8.370 nan 0.000 0.430 286 G N -0.008 108.790 108.800 -0.003 0.000 2.544 286 G HA2 0.310 4.270 3.960 -0.000 0.000 0.242 286 G HA3 0.310 4.270 3.960 -0.000 0.000 0.242 286 G C 0.848 175.700 174.900 -0.080 0.000 1.247 286 G CA 0.576 45.410 45.100 -0.442 0.000 0.840 286 G HN 0.393 nan 8.290 nan 0.000 0.578 287 N N -1.518 117.071 118.700 -0.186 0.000 2.909 287 N HA -0.142 4.598 4.740 -0.000 0.000 0.242 287 N C 0.887 176.400 175.510 0.005 0.000 0.975 287 N CA 1.806 54.868 53.050 0.020 0.000 0.921 287 N CB -1.291 37.316 38.487 0.201 0.000 1.112 287 N HN 1.007 nan 8.380 nan 0.000 0.581 288 G N -1.032 107.729 108.800 -0.066 0.000 2.543 288 G HA2 0.515 4.474 3.960 -0.000 0.000 0.290 288 G HA3 0.515 4.474 3.960 -0.000 0.000 0.290 288 G C -0.147 174.676 174.900 -0.129 0.000 1.310 288 G CA 0.172 45.153 45.100 -0.198 0.000 1.025 288 G HN 0.611 nan 8.290 nan 0.000 0.502 289 S N -1.381 114.239 115.700 -0.133 0.000 2.562 289 S HA 0.499 4.969 4.470 -0.000 0.000 0.275 289 S C -0.322 174.231 174.600 -0.078 0.000 1.281 289 S CA -0.579 57.568 58.200 -0.089 0.000 1.045 289 S CB 1.784 64.938 63.200 -0.077 0.000 0.962 289 S HN 0.593 nan 8.310 nan 0.000 0.503 290 Q N 2.097 121.860 119.800 -0.063 0.000 2.320 290 Q HA 0.442 4.782 4.340 -0.000 0.000 0.268 290 Q C -2.682 173.294 176.000 -0.041 0.000 1.023 290 Q CA -2.277 53.493 55.803 -0.056 0.000 0.744 290 Q CB 1.810 30.512 28.738 -0.060 0.000 1.246 290 Q HN 0.493 nan 8.270 nan 0.000 0.462 302 I N 2.258 122.818 120.570 -0.017 0.000 2.440 302 I HA 0.700 4.870 4.170 -0.000 0.000 0.294 302 I C 1.166 177.270 176.117 -0.021 0.000 0.995 302 I CA 0.035 61.323 61.300 -0.021 0.000 1.306 302 I CB 1.887 39.873 38.000 -0.024 0.000 1.407 302 I HN 0.888 nan 8.210 nan 0.000 0.501 303 G N 3.838 112.622 108.800 -0.027 0.000 2.949 303 G HA2 0.664 4.624 3.960 -0.000 0.000 0.285 303 G HA3 0.664 4.624 3.960 -0.000 0.000 0.285 303 G C -1.340 173.539 174.900 -0.035 0.000 1.395 303 G CA -0.602 44.483 45.100 -0.025 0.000 0.901 303 G HN 0.349 nan 8.290 nan 0.000 0.519 304 V N 0.776 120.671 119.914 -0.031 0.000 2.439 304 V HA 0.614 4.734 4.120 -0.000 0.000 0.282 304 V C 0.881 176.930 176.094 -0.074 0.000 1.039 304 V CA -0.634 61.640 62.300 -0.042 0.000 0.913 304 V CB 0.949 32.764 31.823 -0.014 0.000 0.983 304 V HN 1.070 nan 8.190 nan 0.000 0.460 305 A N 3.841 126.594 122.820 -0.112 0.000 2.440 305 A HA 0.668 4.988 4.320 -0.000 0.000 0.251 305 A C 0.765 178.183 177.584 -0.276 0.000 1.089 305 A CA 0.476 52.415 52.037 -0.163 0.000 0.779 305 A CB 0.242 19.143 19.000 -0.165 0.000 1.022 305 A HN 1.094 nan 8.150 nan 0.000 0.492 306 G N -0.506 108.141 108.800 -0.256 0.000 2.642 306 G HA2 0.537 4.497 3.960 -0.000 0.000 0.291 306 G HA3 0.537 4.497 3.960 -0.000 0.000 0.291 306 G C -0.367 174.250 174.900 -0.472 0.000 1.345 306 G CA -0.448 44.482 45.100 -0.284 0.000 1.043 306 G HN 0.547 nan 8.290 nan 0.000 0.528 307 F N -0.158 119.823 119.950 0.052 0.000 2.661 307 F HA 0.194 4.721 4.527 0.000 0.000 0.306 307 F C 2.369 178.203 175.800 0.057 0.000 1.094 307 F CA -0.144 57.893 58.000 0.062 0.000 1.254 307 F CB 0.752 39.802 39.000 0.082 0.000 1.040 307 F HN 0.471 nan 8.300 nan 0.000 0.562 308 E N 0.326 120.628 120.200 0.170 0.000 2.204 308 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 308 E C 1.660 178.306 176.600 0.078 0.000 0.989 308 E CA 1.812 58.287 56.400 0.125 0.000 0.824 308 E CB -1.250 28.500 29.700 0.085 0.000 0.756 308 E HN 0.425 nan 8.360 nan 0.000 0.477 309 T N -0.381 114.195 114.554 0.036 0.000 2.977 309 T HA -0.049 4.301 4.350 -0.000 0.000 0.271 309 T C 2.105 176.794 174.700 -0.018 0.000 1.105 309 T CA 0.855 62.952 62.100 -0.004 0.000 1.116 309 T CB -0.408 68.439 68.868 -0.035 0.000 0.878 309 T HN 0.109 nan 8.240 nan 0.000 0.509 310 L N -0.323 120.910 121.223 0.017 0.000 1.973 310 L HA 0.082 4.422 4.340 -0.000 0.000 0.208 310 L C 2.601 179.404 176.870 -0.112 0.000 1.073 310 L CA 1.087 55.888 54.840 -0.065 0.000 0.746 310 L CB -0.694 41.358 42.059 -0.012 0.000 0.891 310 L HN 0.238 nan 8.230 nan 0.000 0.433 311 L N 0.097 121.347 121.223 0.045 0.000 2.083 311 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 311 L C 2.390 179.276 176.870 0.027 0.000 1.083 311 L CA 1.694 56.598 54.840 0.107 0.000 0.752 311 L CB -0.492 41.714 42.059 0.244 0.000 0.899 311 L HN 0.218 nan 8.230 nan 0.000 0.433 312 E N -1.229 118.980 120.200 0.015 0.000 2.160 312 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 312 E C 1.904 178.476 176.600 -0.046 0.000 0.991 312 E CA 1.648 58.045 56.400 -0.006 0.000 0.810 312 E CB -0.277 29.421 29.700 -0.005 0.000 0.742 312 E HN 0.542 nan 8.360 nan 0.000 0.466 313 T N 0.757 115.257 114.554 -0.089 0.000 2.821 313 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 313 T C 2.111 176.711 174.700 -0.166 0.000 1.046 313 T CA 0.906 62.919 62.100 -0.144 0.000 1.139 313 T CB -0.137 68.623 68.868 -0.181 0.000 0.871 313 T HN -0.013 nan 8.240 nan 0.000 0.454 314 V N 1.553 121.376 119.914 -0.151 0.000 2.295 314 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 314 V C 2.616 178.665 176.094 -0.075 0.000 1.049 314 V CA 1.701 63.921 62.300 -0.132 0.000 1.024 314 V CB -0.696 31.070 31.823 -0.094 0.000 0.648 314 V HN 0.507 nan 8.190 nan 0.000 0.447 315 Q N -0.596 119.184 119.800 -0.035 0.000 2.061 315 Q HA -0.184 4.156 4.340 -0.000 0.000 0.204 315 Q C 2.339 178.340 176.000 0.002 0.000 0.984 315 Q CA 1.967 57.765 55.803 -0.007 0.000 0.846 315 Q CB -0.345 28.398 28.738 0.008 0.000 0.902 315 Q HN 0.536 nan 8.270 nan 0.000 0.421 316 V N 0.891 120.803 119.914 -0.004 0.000 2.427 316 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 316 V C 2.152 178.318 176.094 0.121 0.000 1.051 316 V CA 1.386 63.717 62.300 0.052 0.000 1.048 316 V CB -0.449 31.399 31.823 0.041 0.000 0.666 316 V HN 0.332 nan 8.190 nan 0.000 0.456 317 L N -0.595 120.608 121.223 -0.033 0.000 1.994 317 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 317 L C 2.482 179.427 176.870 0.125 0.000 1.071 317 L CA 1.375 56.149 54.840 -0.110 0.000 0.745 317 L CB -0.644 41.074 42.059 -0.568 0.000 0.892 317 L HN 0.181 nan 8.230 nan 0.000 0.431 318 V N -0.183 119.776 119.914 0.075 0.000 2.295 318 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 318 V C 2.536 178.693 176.094 0.105 0.000 1.049 318 V CA 1.920 64.290 62.300 0.117 0.000 1.024 318 V CB -0.522 31.329 31.823 0.048 0.000 0.648 318 V HN 0.419 nan 8.190 nan 0.000 0.447 319 K N -0.450 119.995 120.400 0.074 0.000 2.025 319 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 319 K C 1.532 178.155 176.600 0.037 0.000 1.049 319 K CA 1.811 58.128 56.287 0.050 0.000 0.933 319 K CB -0.047 32.473 32.500 0.033 0.000 0.714 319 K HN 0.462 nan 8.250 nan 0.000 0.438 320 D N -1.418 119.012 120.400 0.050 0.000 2.417 320 D HA 0.006 4.646 4.640 -0.000 0.000 0.207 320 D C 0.306 176.432 176.300 -0.290 0.000 1.075 320 D CA 0.411 54.342 54.000 -0.115 0.000 0.851 320 D CB 0.436 41.122 40.800 -0.190 0.000 0.976 320 D HN 0.205 nan 8.370 nan 0.000 0.505 321 Y N 0.596 120.953 120.300 0.096 0.000 2.636 321 Y HA 0.154 4.704 4.550 -0.000 0.000 0.260 321 Y C 0.020 176.104 175.900 0.306 0.000 1.177 321 Y CA -0.572 57.644 58.100 0.193 0.000 1.209 321 Y CB 0.585 39.171 38.460 0.210 0.000 1.166 321 Y HN -0.249 nan 8.280 nan 0.000 0.531 322 D N -0.570 120.002 120.400 0.286 0.000 2.907 322 D HA -0.231 4.409 4.640 -0.000 0.000 0.226 322 D C -0.883 175.541 176.300 0.207 0.000 1.141 322 D CA 0.566 54.682 54.000 0.192 0.000 0.779 322 D CB -1.440 39.416 40.800 0.093 0.000 1.095 322 D HN 0.116 nan 8.370 nan 0.000 0.430 323 F N 0.640 120.637 119.950 0.080 0.000 2.425 323 F HA 0.460 4.987 4.527 -0.000 0.000 0.331 323 F C 1.322 177.143 175.800 0.034 0.000 1.085 323 F CA -0.403 57.631 58.000 0.056 0.000 1.028 323 F CB 1.319 40.347 39.000 0.046 0.000 1.177 323 F HN -0.042 nan 8.300 nan 0.000 0.487 324 S N 2.319 118.116 115.700 0.161 0.000 2.603 324 S HA 0.307 4.776 4.470 -0.000 0.000 0.268 324 S C 1.275 175.944 174.600 0.116 0.000 1.317 324 S CA -0.656 57.614 58.200 0.118 0.000 1.012 324 S CB 0.612 63.873 63.200 0.101 0.000 0.926 324 S HN 0.583 nan 8.310 nan 0.000 0.539 325 I N 1.118 121.690 120.570 0.004 0.000 2.226 325 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 325 I C 2.936 179.010 176.117 -0.070 0.000 1.100 325 I CA 1.535 62.738 61.300 -0.161 0.000 1.374 325 I CB -0.674 36.967 38.000 -0.598 0.000 1.057 325 I HN 0.860 nan 8.210 nan 0.000 0.413 326 S N 0.672 116.417 115.700 0.076 0.000 2.365 326 S HA -0.247 4.223 4.470 -0.000 0.000 0.225 326 S C 1.722 176.413 174.600 0.152 0.000 1.039 326 S CA 2.082 60.400 58.200 0.197 0.000 1.033 326 S CB -0.271 63.091 63.200 0.270 0.000 0.887 326 S HN 0.384 nan 8.310 nan 0.000 0.447 327 D N 1.039 121.539 120.400 0.166 0.000 2.123 327 D HA 0.098 4.738 4.640 -0.000 0.000 0.200 327 D C 2.237 178.699 176.300 0.271 0.000 0.976 327 D CA 1.181 55.310 54.000 0.216 0.000 0.831 327 D CB -0.700 40.222 40.800 0.203 0.000 0.974 327 D HN 0.478 nan 8.370 nan 0.000 0.469 328 A N 0.628 123.603 122.820 0.257 0.000 1.978 328 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 328 A C 2.302 179.882 177.584 -0.007 0.000 1.170 328 A CA 0.917 52.995 52.037 0.067 0.000 0.636 328 A CB -0.691 18.308 19.000 -0.000 0.000 0.810 328 A HN 0.227 nan 8.150 nan 0.000 0.448 329 L N -1.415 119.833 121.223 0.043 0.000 2.217 329 L HA -0.109 4.231 4.340 -0.000 0.000 0.211 329 L C 2.709 179.612 176.870 0.055 0.000 1.107 329 L CA 0.728 55.602 54.840 0.056 0.000 0.783 329 L CB -0.420 41.712 42.059 0.122 0.000 0.919 329 L HN 0.351 nan 8.230 nan 0.000 0.442 330 R N 0.338 120.883 120.500 0.075 0.000 2.112 330 R HA -0.206 4.134 4.340 -0.000 0.000 0.242 330 R C -0.501 175.822 176.300 0.040 0.000 1.137 330 R CA 1.902 58.046 56.100 0.074 0.000 0.944 330 R CB -1.702 28.653 30.300 0.091 0.000 0.857 330 R HN 0.333 nan 8.270 nan 0.000 0.435 331 P HA -0.100 nan 4.420 nan 0.000 0.228 331 P C 0.783 178.052 177.300 -0.051 0.000 1.151 331 P CA 1.250 64.333 63.100 -0.029 0.000 0.770 331 P CB 0.083 31.746 31.700 -0.062 0.000 0.786 332 L N -2.291 118.887 121.223 -0.074 0.000 2.664 332 L HA 0.153 4.493 4.340 -0.000 0.000 0.233 332 L C 1.676 178.591 176.870 0.075 0.000 1.113 332 L CA 0.757 55.538 54.840 -0.097 0.000 0.896 332 L CB -0.194 41.600 42.059 -0.441 0.000 1.163 332 L HN 0.142 nan 8.230 nan 0.000 0.497 333 T N -5.158 109.456 114.554 0.100 0.000 3.216 333 T HA -0.006 4.344 4.350 -0.000 0.000 0.167 333 T C 1.745 176.510 174.700 0.108 0.000 0.905 333 T CA 0.623 62.811 62.100 0.147 0.000 1.042 333 T CB -0.356 68.624 68.868 0.187 0.000 1.787 333 T HN 0.050 nan 8.240 nan 0.000 0.355 334 S N 1.991 117.750 115.700 0.099 0.000 2.383 334 S HA -0.103 4.367 4.470 -0.000 0.000 0.229 334 S C 2.265 176.911 174.600 0.077 0.000 1.030 334 S CA 1.686 59.936 58.200 0.082 0.000 1.002 334 S CB -1.275 61.973 63.200 0.079 0.000 0.829 334 S HN 0.498 nan 8.310 nan 0.000 0.467 335 S N 1.600 117.344 115.700 0.074 0.000 2.382 335 S HA -0.031 4.439 4.470 -0.000 0.000 0.228 335 S C 1.973 176.636 174.600 0.105 0.000 1.027 335 S CA 1.280 59.527 58.200 0.078 0.000 0.991 335 S CB -0.608 62.625 63.200 0.055 0.000 0.823 335 S HN 0.512 nan 8.310 nan 0.000 0.469 336 V N 2.080 122.049 119.914 0.092 0.000 2.323 336 V HA -0.104 4.016 4.120 -0.000 0.000 0.244 336 V C 2.699 178.859 176.094 0.109 0.000 1.041 336 V CA 1.490 63.860 62.300 0.116 0.000 1.025 336 V CB -1.437 30.441 31.823 0.092 0.000 0.656 336 V HN 0.514 nan 8.190 nan 0.000 0.451 337 A N 1.005 123.866 122.820 0.069 0.000 1.940 337 A HA -0.099 4.220 4.320 -0.000 0.000 0.219 337 A C 2.388 179.976 177.584 0.007 0.000 1.176 337 A CA 2.104 54.152 52.037 0.019 0.000 0.631 337 A CB -1.250 17.768 19.000 0.029 0.000 0.814 337 A HN 0.540 nan 8.150 nan 0.000 0.446 338 G N -1.419 107.410 108.800 0.049 0.000 2.404 338 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.215 338 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.215 338 G C 1.453 176.379 174.900 0.043 0.000 1.174 338 G CA 1.048 46.172 45.100 0.040 0.000 0.780 338 G HN 0.479 nan 8.290 nan 0.000 0.537 339 F N 1.170 121.106 119.950 -0.024 0.000 2.126 339 F HA 0.057 4.584 4.527 -0.000 0.000 0.299 339 F C 2.072 177.843 175.800 -0.048 0.000 1.096 339 F CA 1.199 59.185 58.000 -0.024 0.000 1.255 339 F CB -0.004 38.992 39.000 -0.007 0.000 0.997 339 F HN 0.015 nan 8.300 nan 0.000 0.479 340 L N 0.130 121.278 121.223 -0.125 0.000 2.611 340 L HA 0.073 4.413 4.340 -0.000 0.000 0.229 340 L C 0.561 177.274 176.870 -0.260 0.000 1.137 340 L CA 0.242 54.935 54.840 -0.245 0.000 0.901 340 L CB -0.858 41.110 42.059 -0.153 0.000 1.098 340 L HN 0.194 nan 8.230 nan 0.000 0.456 341 N N 1.367 119.948 118.700 -0.198 0.000 2.727 341 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 341 N C -0.303 175.096 175.510 -0.185 0.000 1.048 341 N CA 0.453 53.406 53.050 -0.162 0.000 0.714 341 N CB -1.184 37.211 38.487 -0.152 0.000 0.959 341 N HN 0.309 nan 8.380 nan 0.000 0.544 342 L N 1.228 122.335 121.223 -0.193 0.000 2.448 342 L HA 0.117 4.457 4.340 -0.000 0.000 0.278 342 L C 0.527 177.334 176.870 -0.104 0.000 1.201 342 L CA -0.202 54.490 54.840 -0.247 0.000 1.036 342 L CB -0.349 41.538 42.059 -0.287 0.000 1.325 342 L HN 0.131 nan 8.230 nan 0.000 0.441 343 T N 1.934 116.442 114.554 -0.077 0.000 2.866 343 T HA 0.140 4.490 4.350 -0.000 0.000 0.293 343 T C 1.298 176.020 174.700 0.037 0.000 1.005 343 T CA 0.935 63.028 62.100 -0.011 0.000 1.162 343 T CB 0.809 69.677 68.868 0.001 0.000 0.968 343 T HN 0.965 nan 8.240 nan 0.000 0.530 344 G N 2.392 111.216 108.800 0.039 0.000 2.179 344 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.260 344 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.260 344 G C 0.200 175.145 174.900 0.074 0.000 0.977 344 G CA 0.008 45.144 45.100 0.060 0.000 0.641 344 G HN 0.590 nan 8.290 nan 0.000 0.533 345 K N -0.545 119.896 120.400 0.069 0.000 2.280 345 K HA 0.698 5.018 4.320 -0.000 0.000 0.234 345 K C 1.346 177.990 176.600 0.074 0.000 1.028 345 K CA -0.166 56.173 56.287 0.087 0.000 0.882 345 K CB 0.799 33.361 32.500 0.104 0.000 1.194 345 K HN 1.176 nan 8.250 nan 0.000 0.458 346 G N 0.516 109.372 108.800 0.094 0.000 2.196 346 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.268 346 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.268 346 G C -0.355 174.601 174.900 0.093 0.000 0.975 346 G CA 0.775 45.936 45.100 0.101 0.000 0.648 346 G HN 0.513 nan 8.290 nan 0.000 0.538 347 E N -1.088 119.160 120.200 0.080 0.000 2.335 347 E HA 0.495 4.845 4.350 -0.000 0.000 0.280 347 E C -0.572 176.065 176.600 0.062 0.000 0.918 347 E CA -0.919 55.525 56.400 0.072 0.000 0.765 347 E CB 1.742 31.478 29.700 0.059 0.000 1.218 347 E HN 0.178 nan 8.360 nan 0.000 0.425 348 I N 4.307 124.914 120.570 0.061 0.000 2.278 348 I HA 0.241 4.411 4.170 -0.000 0.000 0.296 348 I C -0.723 175.415 176.117 0.035 0.000 1.121 348 I CA 0.208 61.536 61.300 0.047 0.000 1.267 348 I CB -0.047 37.982 38.000 0.048 0.000 1.447 348 I HN 0.230 nan 8.210 nan 0.000 0.509 349 L N 7.501 128.743 121.223 0.031 0.000 2.434 349 L HA 0.528 4.868 4.340 -0.000 0.000 0.260 349 L C -2.543 174.340 176.870 0.021 0.000 0.983 349 L CA -2.132 52.722 54.840 0.024 0.000 0.820 349 L CB 2.576 44.651 42.059 0.026 0.000 1.361 349 L HN 0.190 nan 8.230 nan 0.000 0.410 350 P HA 0.115 nan 4.420 nan 0.000 0.265 350 P C 0.700 178.012 177.300 0.020 0.000 1.193 350 P CA 0.923 64.032 63.100 0.016 0.000 0.765 350 P CB 0.776 32.483 31.700 0.011 0.000 0.823 351 G N 1.738 110.552 108.800 0.024 0.000 2.284 351 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.230 351 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.230 351 G C 0.481 175.400 174.900 0.032 0.000 1.021 351 G CA -0.317 44.799 45.100 0.026 0.000 0.619 351 G HN 0.525 nan 8.290 nan 0.000 0.510 352 N N 1.808 120.528 118.700 0.034 0.000 2.408 352 N HA 0.457 5.197 4.740 -0.000 0.000 0.260 352 N C -0.258 175.280 175.510 0.046 0.000 1.242 352 N CA -0.338 52.738 53.050 0.042 0.000 0.959 352 N CB 0.355 38.869 38.487 0.045 0.000 1.201 352 N HN 0.235 nan 8.380 nan 0.000 0.511 353 D N 0.024 120.459 120.400 0.058 0.000 2.372 353 D HA 0.170 4.810 4.640 -0.000 0.000 0.243 353 D C -0.184 176.148 176.300 0.053 0.000 1.121 353 D CA -0.094 53.941 54.000 0.059 0.000 0.898 353 D CB 0.497 41.343 40.800 0.077 0.000 1.202 353 D HN 0.461 nan 8.370 nan 0.000 0.428 354 A N 2.455 125.301 122.820 0.044 0.000 2.981 354 A HA 0.130 4.450 4.320 -0.000 0.000 0.280 354 A C -0.493 177.132 177.584 0.067 0.000 1.743 354 A CA -0.298 51.760 52.037 0.035 0.000 1.430 354 A CB -0.333 18.672 19.000 0.008 0.000 1.085 354 A HN 0.225 nan 8.150 nan 0.000 0.597 355 D N 1.810 122.253 120.400 0.071 0.000 2.460 355 D HA 0.580 5.219 4.640 -0.000 0.000 0.232 355 D C -0.506 175.840 176.300 0.076 0.000 1.079 355 D CA 0.306 54.356 54.000 0.084 0.000 0.864 355 D CB 1.150 41.999 40.800 0.082 0.000 1.048 355 D HN 0.385 nan 8.370 nan 0.000 0.523 356 L N 0.996 122.284 121.223 0.108 0.000 2.393 356 L HA 0.582 4.922 4.340 -0.000 0.000 0.260 356 L C -0.599 176.332 176.870 0.103 0.000 1.002 356 L CA -0.931 53.965 54.840 0.093 0.000 0.818 356 L CB 2.116 44.220 42.059 0.076 0.000 1.369 356 L HN -0.008 nan 8.230 nan 0.000 0.412 357 L N 1.812 123.051 121.223 0.027 0.000 2.346 357 L HA 0.702 5.042 4.340 -0.000 0.000 0.274 357 L C -0.885 176.012 176.870 0.045 0.000 1.007 357 L CA -1.022 53.803 54.840 -0.025 0.000 0.818 357 L CB 2.265 44.209 42.059 -0.193 0.000 1.284 357 L HN 0.242 nan 8.230 nan 0.000 0.424 358 V N 3.803 123.754 119.914 0.062 0.000 2.384 358 V HA 0.538 4.658 4.120 -0.000 0.000 0.287 358 V C 0.119 176.237 176.094 0.039 0.000 1.020 358 V CA -0.240 62.108 62.300 0.081 0.000 0.850 358 V CB 1.618 33.517 31.823 0.126 0.000 0.987 358 V HN 0.730 nan 8.190 nan 0.000 0.436 359 M N 2.780 122.406 119.600 0.044 0.000 2.691 359 M HA 0.515 4.995 4.480 -0.000 0.000 0.293 359 M C 0.216 176.541 176.300 0.041 0.000 1.259 359 M CA -0.649 54.669 55.300 0.030 0.000 0.827 359 M CB 2.730 35.340 32.600 0.018 0.000 1.753 359 M HN 0.705 nan 8.290 nan 0.000 0.465 360 T N -2.529 112.044 114.554 0.032 0.000 2.754 360 T HA 0.310 4.660 4.350 -0.000 0.000 0.286 360 T C -2.228 172.492 174.700 0.034 0.000 0.997 360 T CA -1.360 60.762 62.100 0.036 0.000 0.982 360 T CB 0.308 69.194 68.868 0.029 0.000 1.027 360 T HN 0.342 nan 8.240 nan 0.000 0.529 361 P HA 0.055 nan 4.420 nan 0.000 0.226 361 P C 0.479 177.787 177.300 0.014 0.000 1.153 361 P CA 0.770 63.892 63.100 0.036 0.000 0.777 361 P CB -0.029 31.704 31.700 0.055 0.000 0.794 362 E N -0.696 119.514 120.200 0.016 0.000 2.394 362 E HA 0.224 4.573 4.350 -0.000 0.000 0.191 362 E C 0.152 176.757 176.600 0.008 0.000 1.044 362 E CA -0.161 56.246 56.400 0.011 0.000 0.939 362 E CB -0.803 28.907 29.700 0.017 0.000 1.089 362 E HN 0.046 nan 8.360 nan 0.000 0.456 363 L N 0.607 121.831 121.223 0.002 0.000 3.533 363 L HA -0.299 4.041 4.340 -0.000 0.000 0.477 363 L C -0.440 176.448 176.870 0.029 0.000 1.306 363 L CA 0.535 55.380 54.840 0.008 0.000 0.850 363 L CB -1.501 40.559 42.059 0.003 0.000 1.654 363 L HN 0.228 nan 8.230 nan 0.000 0.863 364 R N 0.560 121.075 120.500 0.026 0.000 2.494 364 R HA 0.674 5.014 4.340 -0.000 0.000 0.305 364 R C 0.090 176.402 176.300 0.019 0.000 0.959 364 R CA -1.074 55.043 56.100 0.028 0.000 0.864 364 R CB 2.048 32.363 30.300 0.025 0.000 1.159 364 R HN 0.136 nan 8.270 nan 0.000 0.446 365 I N 2.715 123.293 120.570 0.014 0.000 2.618 365 I HA -0.082 4.088 4.170 -0.000 0.000 0.284 365 I C 1.150 177.262 176.117 -0.009 0.000 1.146 365 I CA 0.739 62.033 61.300 -0.010 0.000 1.425 365 I CB 0.660 38.640 38.000 -0.033 0.000 1.383 365 I HN 0.680 nan 8.210 nan 0.000 0.562 366 E N 3.941 124.135 120.200 -0.010 0.000 2.279 366 E HA 0.134 4.484 4.350 -0.000 0.000 0.199 366 E C -0.120 176.461 176.600 -0.030 0.000 0.893 366 E CA 0.138 56.534 56.400 -0.007 0.000 0.978 366 E CB 0.495 30.204 29.700 0.015 0.000 0.964 366 E HN 0.618 nan 8.360 nan 0.000 0.486 367 Q N 0.496 120.277 119.800 -0.032 0.000 2.458 367 Q HA 0.608 4.948 4.340 -0.000 0.000 0.282 367 Q C -1.279 174.646 176.000 -0.125 0.000 1.106 367 Q CA -0.783 54.957 55.803 -0.105 0.000 0.814 367 Q CB 3.454 32.144 28.738 -0.080 0.000 1.425 367 Q HN -0.093 nan 8.270 nan 0.000 0.437 368 V N 1.470 121.225 119.914 -0.264 0.000 2.668 368 V HA 0.393 4.513 4.120 -0.000 0.000 0.304 368 V C -1.710 174.172 176.094 -0.353 0.000 1.071 368 V CA -0.804 61.380 62.300 -0.194 0.000 0.894 368 V CB 1.279 33.009 31.823 -0.154 0.000 1.008 368 V HN 0.630 nan 8.190 nan 0.000 0.425 369 Y N 2.342 122.619 120.300 -0.039 0.000 2.377 369 Y HA 0.802 5.352 4.550 -0.000 0.000 0.339 369 Y C 0.367 176.253 175.900 -0.024 0.000 1.011 369 Y CA -0.647 57.439 58.100 -0.024 0.000 1.093 369 Y CB 2.252 40.706 38.460 -0.010 0.000 1.201 369 Y HN 0.738 nan 8.280 nan 0.000 0.455 370 A N 2.961 125.844 122.820 0.105 0.000 2.335 370 A HA 0.694 5.014 4.320 -0.000 0.000 0.304 370 A C -0.037 177.585 177.584 0.064 0.000 1.118 370 A CA -1.144 50.929 52.037 0.060 0.000 0.757 370 A CB 0.426 19.431 19.000 0.007 0.000 1.188 370 A HN 0.953 nan 8.150 nan 0.000 0.460 371 R N 1.554 122.092 120.500 0.063 0.000 3.405 371 R HA -0.240 4.100 4.340 -0.000 0.000 0.258 371 R C 1.174 177.509 176.300 0.058 0.000 1.030 371 R CA 1.330 57.459 56.100 0.049 0.000 0.691 371 R CB -1.932 28.382 30.300 0.023 0.000 1.093 371 R HN 2.444 nan 8.270 nan 0.000 0.448 372 G N -0.636 108.220 108.800 0.094 0.000 2.189 372 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.267 372 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.267 372 G C 0.091 175.101 174.900 0.183 0.000 0.975 372 G CA 0.696 45.862 45.100 0.110 0.000 0.644 372 G HN 0.420 nan 8.290 nan 0.000 0.537 373 K N 0.246 120.739 120.400 0.154 0.000 2.159 373 K HA 0.587 4.907 4.320 -0.000 0.000 0.266 373 K C -0.043 176.591 176.600 0.056 0.000 0.975 373 K CA -1.060 55.291 56.287 0.107 0.000 0.865 373 K CB 1.034 33.551 32.500 0.028 0.000 1.087 373 K HN 0.181 nan 8.250 nan 0.000 0.446 374 L N 5.890 127.093 121.223 -0.034 0.000 2.433 374 L HA 0.077 4.417 4.340 -0.000 0.000 0.275 374 L C 0.673 177.402 176.870 -0.235 0.000 1.128 374 L CA 0.539 55.164 54.840 -0.359 0.000 0.875 374 L CB 0.492 42.365 42.059 -0.309 0.000 1.171 374 L HN 0.777 nan 8.230 nan 0.000 0.463 375 M N 4.544 123.988 119.600 -0.260 0.000 2.491 375 M HA 0.291 4.771 4.480 -0.000 0.000 0.259 375 M C -0.238 175.969 176.300 -0.154 0.000 1.163 375 M CA 0.390 55.594 55.300 -0.160 0.000 1.109 375 M CB 0.226 32.752 32.600 -0.124 0.000 1.353 375 M HN 0.333 nan 8.290 nan 0.000 0.500 376 V N 0.899 120.691 119.914 -0.203 0.000 2.760 376 V HA 0.468 4.588 4.120 -0.000 0.000 0.309 376 V C -0.727 175.263 176.094 -0.173 0.000 1.077 376 V CA -0.981 61.227 62.300 -0.153 0.000 0.910 376 V CB 3.208 34.955 31.823 -0.126 0.000 1.008 376 V HN 0.146 nan 8.190 nan 0.000 0.424 377 K N 2.370 122.702 120.400 -0.113 0.000 2.482 377 K HA 0.427 4.747 4.320 -0.000 0.000 0.251 377 K C -0.723 175.847 176.600 -0.051 0.000 0.936 377 K CA -0.516 55.718 56.287 -0.089 0.000 0.791 377 K CB 1.469 33.923 32.500 -0.077 0.000 1.213 377 K HN 0.781 nan 8.250 nan 0.000 0.428 378 D N 2.727 123.107 120.400 -0.033 0.000 2.811 378 D HA -0.205 4.435 4.640 -0.000 0.000 0.231 378 D C 0.606 176.895 176.300 -0.018 0.000 1.157 378 D CA 1.679 55.669 54.000 -0.017 0.000 0.716 378 D CB -1.188 39.605 40.800 -0.011 0.000 1.077 378 D HN 1.094 nan 8.370 nan 0.000 0.428 379 G N -0.704 108.080 108.800 -0.027 0.000 2.162 379 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.260 379 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.260 379 G C 0.214 175.100 174.900 -0.024 0.000 0.976 379 G CA 0.944 46.031 45.100 -0.022 0.000 0.655 379 G HN 0.490 nan 8.290 nan 0.000 0.533 380 K N 0.203 120.584 120.400 -0.032 0.000 2.324 380 K HA 0.741 5.061 4.320 -0.000 0.000 0.253 380 K C 0.416 176.990 176.600 -0.044 0.000 0.932 380 K CA -0.053 56.217 56.287 -0.029 0.000 0.799 380 K CB 1.978 34.466 32.500 -0.020 0.000 1.154 380 K HN 0.619 nan 8.250 nan 0.000 0.425 381 A N 1.298 124.094 122.820 -0.040 0.000 2.548 381 A HA 0.032 4.352 4.320 -0.000 0.000 0.247 381 A C 0.949 178.503 177.584 -0.051 0.000 1.067 381 A CA -0.139 51.867 52.037 -0.052 0.000 0.757 381 A CB -0.612 18.361 19.000 -0.044 0.000 0.996 381 A HN 1.077 nan 8.150 nan 0.000 0.504 382 C N 1.119 120.380 119.300 -0.066 0.000 3.038 382 C HA 0.540 5.000 4.460 -0.000 0.000 0.279 382 C C 0.254 175.209 174.990 -0.058 0.000 1.276 382 C CA -0.379 58.604 59.018 -0.058 0.000 1.697 382 C CB -1.519 26.183 27.740 -0.064 0.000 2.032 382 C HN 0.463 nan 8.230 nan 0.000 0.636 383 V N 2.235 122.110 119.914 -0.064 0.000 2.531 383 V HA 0.509 4.629 4.120 -0.000 0.000 0.301 383 V C -0.563 175.496 176.094 -0.059 0.000 1.034 383 V CA -0.135 62.128 62.300 -0.063 0.000 0.865 383 V CB 1.614 33.395 31.823 -0.069 0.000 0.995 383 V HN 0.359 nan 8.190 nan 0.000 0.424 384 K N 2.182 122.548 120.400 -0.057 0.000 2.443 384 K HA 0.624 4.944 4.320 -0.000 0.000 0.251 384 K C 0.248 176.809 176.600 -0.065 0.000 0.972 384 K CA -0.771 55.486 56.287 -0.051 0.000 0.833 384 K CB 2.503 34.980 32.500 -0.038 0.000 1.317 384 K HN 0.830 nan 8.250 nan 0.000 0.441 385 G N 0.346 109.115 108.800 -0.053 0.000 2.484 385 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.235 385 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.235 385 G C 0.856 175.675 174.900 -0.135 0.000 1.282 385 G CA -0.050 45.009 45.100 -0.069 0.000 0.857 385 G HN 0.558 nan 8.290 nan 0.000 0.571 386 T N 1.448 115.848 114.554 -0.257 0.000 2.680 386 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 386 T C 1.363 175.666 174.700 -0.662 0.000 1.033 386 T CA 1.859 63.638 62.100 -0.535 0.000 1.152 386 T CB -0.275 68.101 68.868 -0.820 0.000 0.859 386 T HN 0.456 nan 8.240 nan 0.000 0.452 387 F N 0.732 120.678 119.950 -0.006 0.000 2.668 387 F HA 0.323 4.850 4.527 -0.000 0.000 0.301 387 F C 0.750 176.550 175.800 -0.001 0.000 1.106 387 F CA -0.664 57.334 58.000 -0.003 0.000 1.289 387 F CB 0.037 39.037 39.000 -0.001 0.000 1.006 387 F HN -0.015 nan 8.300 nan 0.000 0.535 388 E N 1.771 122.019 120.200 0.080 0.000 2.480 388 E HA 0.040 4.390 4.350 -0.000 0.000 0.258 388 E C 0.504 177.139 176.600 0.058 0.000 0.984 388 E CA 0.171 56.608 56.400 0.063 0.000 0.930 388 E CB 0.709 30.423 29.700 0.023 0.000 0.936 388 E HN 0.193 nan 8.360 nan 0.000 0.466 389 T N 0.000 114.591 114.554 0.061 0.000 3.816 389 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 389 T CA 0.000 62.129 62.100 0.049 0.000 1.349 389 T CB 0.000 68.897 68.868 0.049 0.000 0.612 389 T HN 0.000 nan 8.240 nan 0.000 0.658