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 3ac6_1_A DATA FIRST_RESID 2 DATA SEQUENCE EALAKEIGIP EGEYREIVQR LGREPNRVEL LLFKVXWSEH CAYKNSRPLL DATA SEQUENCE KALPKEGEAV LQGPGENAGV VRVGEGWAVA FKIESHNHPS AVEPFQGAAT DATA SEQUENCE GVGGILRDIX SXGARPIALL DSLRFGPPEE ARSRYLLKGV VSGIAFYGNA DATA SEQUENCE IGVPTVGGDL YFHEGYRENP LVNAXCLGLL REEHLKRSRA SLGRPIYYAG DATA SEQUENCE AKTGRDGIXX XXXXXXXXXX XXXXXXXXXX VGDPFLGKLL XEATLEAIEL DATA SEQUENCE DLVEGVQDXG AAGLTSSLSE LAHKSGLGVE LHLDLVPTRE EGXTPEELLL DATA SEQUENCE SESQERXVLV PKEGKEKALE EVFGRWGLDC VPVARTIPER VFRVLFRGEV DATA SEQUENCE VAEVPTEALA EAPTYVRVGR EDPEVRRLRE TPIPPLEADP QEVLRRLLAS DATA SEQUENCE PNLASREAVY ERYDHQVGTR TALLPGKGDA AVLWIKGTRL GVAAKVDQNP DATA SEQUENCE RYSRLHPRLG AXHALAEACR NVSVVGAKPL AYTDGLNLGS PETPEGYHEL DATA SEQUENCE AETIAGLKEA SEALGVPVVS GNVSLYNESG GKRIPPTAXV GVVGVLEVDK DATA SEQUENCE RAEXGFRRPG EVLLLIGEER GELGASEVLY LLTGKEFGHP PRLDLGREKA DATA SEQUENCE VQEAIRDLIQ RGLTRTAHDV AEGGLLLALA EXTFPYGVGA TVEVREEGLE DATA SEQUENCE ALFGEAPSRV LFTVEKTRLQ EATLLLEERG LPYRVLGETG GKSLTVLTPG DATA SEQUENCE GVLEWSLEEL LSAWKAPLRE VLDG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.362 176.600 -0.397 0.000 1.382 2 E CA 0.000 55.997 56.400 -0.672 0.000 0.976 2 E CB 0.000 29.456 29.700 -0.407 0.000 0.812 3 A N 1.927 124.613 122.820 -0.223 0.000 1.829 3 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 3 A C 2.103 179.607 177.584 -0.133 0.000 1.207 3 A CA 1.657 53.608 52.037 -0.142 0.000 0.622 3 A CB -0.927 18.020 19.000 -0.089 0.000 0.846 3 A HN 0.161 nan 8.150 nan 0.000 0.447 4 L N -0.645 120.513 121.223 -0.107 0.000 2.187 4 L HA -0.229 4.111 4.340 -0.001 0.000 0.213 4 L C 3.023 179.842 176.870 -0.086 0.000 1.100 4 L CA 0.914 55.709 54.840 -0.073 0.000 0.765 4 L CB -0.794 41.239 42.059 -0.043 0.000 0.904 4 L HN 0.516 nan 8.230 nan 0.000 0.437 5 A N 0.792 123.514 122.820 -0.162 0.000 1.841 5 A HA -0.232 4.088 4.320 -0.001 0.000 0.216 5 A C 2.265 179.783 177.584 -0.109 0.000 1.199 5 A CA 1.827 53.765 52.037 -0.164 0.000 0.621 5 A CB -0.413 18.269 19.000 -0.531 0.000 0.835 5 A HN 0.338 nan 8.150 nan 0.000 0.445 6 K N -0.442 119.866 120.400 -0.154 0.000 2.504 6 K HA -0.039 4.281 4.320 -0.001 0.000 0.195 6 K C 1.703 178.269 176.600 -0.057 0.000 1.036 6 K CA 0.920 57.156 56.287 -0.085 0.000 0.984 6 K CB 0.062 32.504 32.500 -0.096 0.000 0.788 6 K HN 0.718 nan 8.250 nan 0.000 0.488 7 E N 1.271 121.435 120.200 -0.061 0.000 2.371 7 E HA -0.075 4.275 4.350 -0.001 0.000 0.194 7 E C 1.661 178.245 176.600 -0.027 0.000 1.012 7 E CA 0.418 56.793 56.400 -0.042 0.000 0.860 7 E CB 0.213 29.886 29.700 -0.044 0.000 0.811 7 E HN 0.449 nan 8.360 nan 0.000 0.502 8 I N -4.910 115.648 120.570 -0.020 0.000 3.645 8 I HA 0.451 4.621 4.170 -0.001 0.000 0.300 8 I C 1.322 177.439 176.117 0.000 0.000 1.260 8 I CA 0.626 61.922 61.300 -0.006 0.000 1.365 8 I CB 0.989 38.992 38.000 0.006 0.000 1.077 8 I HN 0.105 nan 8.210 nan 0.000 0.439 9 G N 2.020 110.822 108.800 0.003 0.000 2.234 9 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.153 9 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.153 9 G C -0.089 174.837 174.900 0.044 0.000 1.013 9 G CA -0.445 44.662 45.100 0.012 0.000 0.712 9 G HN 0.275 nan 8.290 nan 0.000 0.491 10 I N 2.451 123.055 120.570 0.057 0.000 2.301 10 I HA 0.263 4.433 4.170 -0.001 0.000 0.292 10 I C -1.934 174.243 176.117 0.102 0.000 1.046 10 I CA -2.088 59.277 61.300 0.108 0.000 1.282 10 I CB 1.370 39.448 38.000 0.129 0.000 1.409 10 I HN -0.135 nan 8.210 nan 0.000 0.484 11 P HA -0.080 nan 4.420 nan 0.000 0.265 11 P C 0.596 177.973 177.300 0.129 0.000 1.187 11 P CA 0.196 63.360 63.100 0.106 0.000 0.766 11 P CB 0.727 32.502 31.700 0.124 0.000 0.820 12 E N 3.072 123.321 120.200 0.082 0.000 2.049 12 E HA -0.202 4.148 4.350 -0.001 0.000 0.198 12 E C 2.178 178.868 176.600 0.150 0.000 1.007 12 E CA 2.458 58.915 56.400 0.095 0.000 0.809 12 E CB -1.126 28.602 29.700 0.046 0.000 0.749 12 E HN 0.589 nan 8.360 nan 0.000 0.450 13 G N 0.021 108.895 108.800 0.124 0.000 2.440 13 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.218 13 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.218 13 G C 1.509 176.526 174.900 0.194 0.000 1.154 13 G CA 0.908 46.090 45.100 0.137 0.000 0.767 13 G HN 0.362 nan 8.290 nan 0.000 0.552 14 E N -0.965 119.387 120.200 0.253 0.000 2.150 14 E HA -0.093 4.257 4.350 -0.001 0.000 0.193 14 E C 2.009 178.752 176.600 0.239 0.000 0.985 14 E CA 0.577 57.203 56.400 0.378 0.000 0.814 14 E CB -0.175 29.811 29.700 0.477 0.000 0.752 14 E HN 0.618 nan 8.360 nan 0.000 0.466 15 Y N 0.942 121.267 120.300 0.041 0.000 2.263 15 Y HA -0.140 4.409 4.550 -0.001 0.000 0.292 15 Y C 2.285 178.136 175.900 -0.083 0.000 1.130 15 Y CA 1.284 59.333 58.100 -0.084 0.000 1.179 15 Y CB 0.140 38.563 38.460 -0.063 0.000 0.998 15 Y HN -0.168 nan 8.280 nan 0.000 0.532 16 R N 1.018 121.554 120.500 0.060 0.000 2.092 16 R HA -0.138 4.202 4.340 -0.001 0.000 0.231 16 R C 2.205 178.458 176.300 -0.078 0.000 1.119 16 R CA 1.888 57.983 56.100 -0.010 0.000 0.970 16 R CB -0.456 29.893 30.300 0.082 0.000 0.864 16 R HN 0.548 nan 8.270 nan 0.000 0.440 17 E N -0.478 119.723 120.200 0.001 0.000 2.208 17 E HA -0.090 4.260 4.350 -0.001 0.000 0.193 17 E C 1.648 178.218 176.600 -0.050 0.000 0.988 17 E CA 0.943 57.375 56.400 0.054 0.000 0.828 17 E CB 0.018 29.849 29.700 0.218 0.000 0.763 17 E HN 0.374 nan 8.360 nan 0.000 0.478 18 I N 0.596 120.986 120.570 -0.300 0.000 2.353 18 I HA -0.191 3.979 4.170 -0.001 0.000 0.248 18 I C 2.440 178.248 176.117 -0.514 0.000 1.119 18 I CA 0.692 61.601 61.300 -0.652 0.000 1.417 18 I CB -0.162 37.087 38.000 -1.252 0.000 1.078 18 I HN 0.138 nan 8.210 nan 0.000 0.421 19 V N -0.060 119.556 119.914 -0.497 0.000 2.667 19 V HA -0.216 3.903 4.120 -0.001 0.000 0.252 19 V C 2.126 178.109 176.094 -0.185 0.000 1.065 19 V CA 1.611 63.695 62.300 -0.360 0.000 1.083 19 V CB -1.053 30.555 31.823 -0.359 0.000 0.692 19 V HN 0.642 nan 8.190 nan 0.000 0.468 20 Q N -0.572 119.145 119.800 -0.137 0.000 2.424 20 Q HA 0.098 4.438 4.340 -0.001 0.000 0.204 20 Q C 2.006 177.987 176.000 -0.032 0.000 0.933 20 Q CA 0.163 55.930 55.803 -0.060 0.000 0.929 20 Q CB -0.187 28.534 28.738 -0.028 0.000 1.037 20 Q HN 0.463 nan 8.270 nan 0.000 0.511 21 R N 0.573 121.048 120.500 -0.043 0.000 2.173 21 R HA 0.210 4.549 4.340 -0.001 0.000 0.208 21 R C 1.790 178.098 176.300 0.013 0.000 1.035 21 R CA 0.529 56.639 56.100 0.018 0.000 1.004 21 R CB 0.151 30.495 30.300 0.073 0.000 0.917 21 R HN 0.335 nan 8.270 nan 0.000 0.462 22 L N -0.744 120.454 121.223 -0.041 0.000 2.590 22 L HA 0.258 4.597 4.340 -0.001 0.000 0.227 22 L C 1.037 177.892 176.870 -0.025 0.000 1.099 22 L CA 0.430 55.258 54.840 -0.021 0.000 0.872 22 L CB 0.017 42.045 42.059 -0.051 0.000 1.088 22 L HN 0.277 nan 8.230 nan 0.000 0.479 23 G N 2.164 110.941 108.800 -0.038 0.000 2.187 23 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.261 23 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.261 23 G C 0.297 175.176 174.900 -0.033 0.000 1.000 23 G CA 0.908 45.991 45.100 -0.028 0.000 0.718 23 G HN 0.611 nan 8.290 nan 0.000 0.519 24 R N -2.073 118.394 120.500 -0.056 0.000 2.829 24 R HA 0.529 4.869 4.340 -0.001 0.000 0.283 24 R C -1.252 174.994 176.300 -0.091 0.000 1.013 24 R CA -1.022 55.047 56.100 -0.052 0.000 0.848 24 R CB 0.626 30.909 30.300 -0.028 0.000 1.291 24 R HN 0.140 nan 8.270 nan 0.000 0.496 25 E N 2.208 122.369 120.200 -0.065 0.000 2.283 25 E HA 0.289 4.639 4.350 -0.001 0.000 0.278 25 E C -2.012 174.561 176.600 -0.045 0.000 1.027 25 E CA -1.935 54.419 56.400 -0.075 0.000 0.843 25 E CB 1.323 31.036 29.700 0.021 0.000 1.062 25 E HN 0.356 nan 8.360 nan 0.000 0.401 26 P HA -0.001 nan 4.420 nan 0.000 0.275 26 P C -0.871 176.449 177.300 0.033 0.000 1.228 26 P CA -0.432 62.664 63.100 -0.006 0.000 0.786 26 P CB 0.714 32.406 31.700 -0.015 0.000 0.927 27 N N 1.994 120.713 118.700 0.031 0.000 2.290 27 N HA 0.040 4.780 4.740 -0.001 0.000 0.269 27 N C 1.361 176.892 175.510 0.035 0.000 1.295 27 N CA -0.378 52.688 53.050 0.027 0.000 0.932 27 N CB 0.070 38.565 38.487 0.014 0.000 1.128 27 N HN 0.366 nan 8.380 nan 0.000 0.532 28 R N -0.762 119.751 120.500 0.022 0.000 2.082 28 R HA -0.125 4.215 4.340 -0.001 0.000 0.234 28 R C 1.572 177.884 176.300 0.019 0.000 1.136 28 R CA 1.683 57.795 56.100 0.019 0.000 0.935 28 R CB -0.695 29.608 30.300 0.005 0.000 0.842 28 R HN 0.436 nan 8.270 nan 0.000 0.430 29 V N 1.601 121.517 119.914 0.002 0.000 2.252 29 V HA -0.282 3.838 4.120 -0.001 0.000 0.249 29 V C 2.193 178.298 176.094 0.019 0.000 1.056 29 V CA 2.330 64.625 62.300 -0.008 0.000 1.022 29 V CB -0.592 31.208 31.823 -0.039 0.000 0.641 29 V HN 0.473 nan 8.190 nan 0.000 0.445 30 E N -0.382 119.840 120.200 0.038 0.000 2.118 30 E HA -0.238 4.112 4.350 -0.001 0.000 0.195 30 E C 2.238 178.950 176.600 0.187 0.000 0.992 30 E CA 1.314 57.770 56.400 0.093 0.000 0.804 30 E CB -0.200 29.567 29.700 0.111 0.000 0.741 30 E HN 0.508 nan 8.360 nan 0.000 0.458 31 L N 0.445 121.749 121.223 0.136 0.000 2.017 31 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 31 L C 2.166 179.112 176.870 0.127 0.000 1.073 31 L CA 0.762 55.687 54.840 0.143 0.000 0.745 31 L CB -0.069 42.050 42.059 0.100 0.000 0.894 31 L HN 0.200 nan 8.230 nan 0.000 0.432 32 L N -0.428 120.840 121.223 0.074 0.000 2.131 32 L HA -0.237 4.103 4.340 -0.001 0.000 0.210 32 L C 2.340 179.234 176.870 0.041 0.000 1.092 32 L CA 1.602 56.471 54.840 0.048 0.000 0.759 32 L CB -0.808 41.263 42.059 0.021 0.000 0.903 32 L HN 0.223 nan 8.230 nan 0.000 0.435 33 L N -2.531 118.706 121.223 0.022 0.000 2.046 33 L HA -0.227 4.113 4.340 -0.001 0.000 0.208 33 L C 2.452 179.245 176.870 -0.128 0.000 1.077 33 L CA 1.252 56.058 54.840 -0.056 0.000 0.747 33 L CB -0.594 41.401 42.059 -0.107 0.000 0.896 33 L HN 0.139 nan 8.230 nan 0.000 0.432 34 F N 0.416 120.287 119.950 -0.132 0.000 2.113 34 F HA -0.226 4.300 4.527 -0.001 0.000 0.297 34 F C 2.713 178.453 175.800 -0.100 0.000 1.103 34 F CA 1.535 59.364 58.000 -0.284 0.000 1.248 34 F CB -0.335 38.352 39.000 -0.521 0.000 0.999 34 F HN -0.039 nan 8.300 nan 0.000 0.475 35 K N 0.528 121.020 120.400 0.153 0.000 2.107 35 K HA -0.182 4.137 4.320 -0.001 0.000 0.211 35 K C 0.785 177.471 176.600 0.143 0.000 1.049 35 K CA 1.226 57.597 56.287 0.141 0.000 0.927 35 K CB -0.401 32.153 32.500 0.090 0.000 0.714 35 K HN 0.047 nan 8.250 nan 0.000 0.452 39 S N 0.031 115.909 115.700 0.297 0.000 2.593 39 S HA 0.195 4.665 4.470 -0.001 0.000 0.269 39 S C 1.134 175.842 174.600 0.180 0.000 1.334 39 S CA 0.521 58.843 58.200 0.203 0.000 1.015 39 S CB 1.960 65.251 63.200 0.151 0.000 0.912 39 S HN 0.093 nan 8.310 nan 0.000 0.541 40 E N 0.571 120.869 120.200 0.163 0.000 2.118 40 E HA -0.226 4.124 4.350 -0.001 0.000 0.195 40 E C 1.712 178.328 176.600 0.026 0.000 0.992 40 E CA 1.901 58.380 56.400 0.131 0.000 0.804 40 E CB -0.528 29.321 29.700 0.247 0.000 0.741 40 E HN 0.933 nan 8.360 nan 0.000 0.458 41 H N -1.201 117.868 119.070 -0.001 0.000 2.289 41 H HA -0.152 4.403 4.556 -0.001 0.000 0.296 41 H C 1.756 177.123 175.328 0.065 0.000 1.091 41 H CA 2.445 58.475 56.048 -0.030 0.000 1.274 41 H CB -0.368 29.399 29.762 0.009 0.000 1.364 41 H HN 0.320 nan 8.280 nan 0.000 0.490 42 C N -0.535 118.874 119.300 0.182 0.000 2.504 42 C HA 0.406 4.866 4.460 -0.001 0.000 0.279 42 C C 2.895 178.029 174.990 0.239 0.000 1.358 42 C CA 0.528 59.662 59.018 0.193 0.000 1.747 42 C CB -0.589 27.261 27.740 0.183 0.000 2.037 42 C HN 0.757 nan 8.230 nan 0.000 0.503 43 A N -1.346 121.598 122.820 0.207 0.000 2.095 43 A HA 0.214 4.534 4.320 -0.001 0.000 0.212 43 A C 0.618 178.344 177.584 0.237 0.000 1.162 43 A CA 0.182 52.304 52.037 0.141 0.000 0.753 43 A CB -0.589 18.415 19.000 0.006 0.000 0.840 43 A HN 0.557 nan 8.150 nan 0.000 0.468 44 Y N -0.276 120.006 120.300 -0.030 0.000 3.305 44 Y HA -0.286 4.264 4.550 -0.001 0.000 0.212 44 Y C 1.373 177.249 175.900 -0.040 0.000 1.248 44 Y CA 0.796 58.879 58.100 -0.028 0.000 1.359 44 Y CB -2.466 35.961 38.460 -0.056 0.000 1.407 44 Y HN 0.438 nan 8.280 nan 0.000 0.572 45 K N -0.487 119.947 120.400 0.057 0.000 2.103 45 K HA -0.185 4.134 4.320 -0.001 0.000 0.207 45 K C 1.230 177.849 176.600 0.032 0.000 1.048 45 K CA 1.901 58.166 56.287 -0.038 0.000 0.930 45 K CB -0.141 32.326 32.500 -0.054 0.000 0.716 45 K HN 0.480 nan 8.250 nan 0.000 0.444 46 N N -0.559 118.220 118.700 0.131 0.000 2.353 46 N HA -0.045 4.695 4.740 -0.001 0.000 0.185 46 N C 1.254 176.858 175.510 0.155 0.000 1.098 46 N CA 0.565 53.734 53.050 0.198 0.000 0.872 46 N CB 0.671 39.293 38.487 0.225 0.000 0.970 46 N HN 0.124 nan 8.380 nan 0.000 0.467 47 S N -0.754 115.002 115.700 0.093 0.000 2.514 47 S HA 0.206 4.676 4.470 -0.001 0.000 0.223 47 S C 1.783 176.428 174.600 0.076 0.000 1.046 47 S CA -0.304 57.937 58.200 0.069 0.000 0.914 47 S CB 0.275 63.517 63.200 0.070 0.000 0.807 47 S HN -0.019 nan 8.310 nan 0.000 0.497 48 R N 2.262 122.812 120.500 0.084 0.000 2.094 48 R HA 0.007 4.347 4.340 -0.001 0.000 0.239 48 R C -0.842 175.466 176.300 0.014 0.000 1.137 48 R CA 2.244 58.365 56.100 0.034 0.000 0.943 48 R CB -1.538 28.761 30.300 -0.002 0.000 0.850 48 R HN 0.371 nan 8.270 nan 0.000 0.433 49 P HA -0.184 nan 4.420 nan 0.000 0.217 49 P C 0.797 178.113 177.300 0.026 0.000 1.151 49 P CA 1.408 64.525 63.100 0.028 0.000 0.849 49 P CB 0.023 31.759 31.700 0.061 0.000 0.787 50 L N -2.147 119.088 121.223 0.021 0.000 2.209 50 L HA -0.020 4.320 4.340 -0.001 0.000 0.207 50 L C 2.265 179.127 176.870 -0.013 0.000 1.094 50 L CA 0.708 55.542 54.840 -0.010 0.000 0.790 50 L CB -0.746 41.274 42.059 -0.065 0.000 0.932 50 L HN -0.078 nan 8.230 nan 0.000 0.447 51 L N -0.134 121.086 121.223 -0.004 0.000 2.362 51 L HA -0.146 4.194 4.340 -0.001 0.000 0.219 51 L C 2.255 179.116 176.870 -0.017 0.000 1.134 51 L CA 0.894 55.730 54.840 -0.007 0.000 0.807 51 L CB -0.414 41.644 42.059 -0.001 0.000 0.927 51 L HN 0.217 nan 8.230 nan 0.000 0.447 52 K N 0.241 120.631 120.400 -0.016 0.000 2.360 52 K HA -0.101 4.219 4.320 -0.001 0.000 0.201 52 K C 2.063 178.655 176.600 -0.014 0.000 1.046 52 K CA 1.002 57.277 56.287 -0.020 0.000 0.945 52 K CB -0.087 32.404 32.500 -0.016 0.000 0.750 52 K HN 0.306 nan 8.250 nan 0.000 0.464 53 A N 0.990 123.805 122.820 -0.008 0.000 2.072 53 A HA 0.045 4.364 4.320 -0.001 0.000 0.216 53 A C 0.839 178.426 177.584 0.004 0.000 1.156 53 A CA 0.189 52.224 52.037 -0.002 0.000 0.701 53 A CB -0.144 18.855 19.000 -0.002 0.000 0.816 53 A HN 0.125 nan 8.150 nan 0.000 0.458 54 L N 1.409 122.637 121.223 0.007 0.000 2.477 54 L HA 0.164 4.504 4.340 -0.001 0.000 0.272 54 L C -2.354 174.522 176.870 0.009 0.000 1.157 54 L CA -1.671 53.185 54.840 0.027 0.000 0.889 54 L CB 0.297 42.377 42.059 0.035 0.000 1.158 54 L HN 0.057 nan 8.230 nan 0.000 0.473 55 P HA 0.023 nan 4.420 nan 0.000 0.265 55 P C -0.155 177.137 177.300 -0.013 0.000 1.193 55 P CA 0.046 63.154 63.100 0.013 0.000 0.765 55 P CB 0.586 32.306 31.700 0.035 0.000 0.823 56 K N 1.241 121.623 120.400 -0.030 0.000 2.425 56 K HA 0.126 4.446 4.320 -0.001 0.000 0.201 56 K C 0.204 176.780 176.600 -0.042 0.000 1.128 56 K CA 0.259 56.511 56.287 -0.057 0.000 1.000 56 K CB 0.516 32.975 32.500 -0.068 0.000 0.961 56 K HN 0.527 nan 8.250 nan 0.000 0.555 57 E N 1.358 121.545 120.200 -0.022 0.000 2.373 57 E HA 0.365 4.715 4.350 -0.001 0.000 0.267 57 E C 0.068 176.666 176.600 -0.004 0.000 1.032 57 E CA -0.127 56.265 56.400 -0.015 0.000 0.889 57 E CB 0.916 30.610 29.700 -0.010 0.000 0.984 57 E HN 0.230 nan 8.360 nan 0.000 0.425 58 G N 1.674 110.473 108.800 -0.003 0.000 2.691 58 G HA2 0.027 3.987 3.960 -0.001 0.000 0.298 58 G HA3 0.027 3.987 3.960 -0.001 0.000 0.298 58 G C 0.159 175.064 174.900 0.008 0.000 1.471 58 G CA -0.606 44.499 45.100 0.008 0.000 0.912 58 G HN 0.348 nan 8.290 nan 0.000 0.553 59 E N 1.030 121.237 120.200 0.012 0.000 2.097 59 E HA -0.184 4.166 4.350 -0.001 0.000 0.196 59 E C 2.394 179.003 176.600 0.014 0.000 1.000 59 E CA 1.654 58.060 56.400 0.011 0.000 0.804 59 E CB -0.080 29.627 29.700 0.011 0.000 0.740 59 E HN 0.641 nan 8.360 nan 0.000 0.454 60 A N 1.083 123.917 122.820 0.023 0.000 2.251 60 A HA 0.143 4.463 4.320 -0.001 0.000 0.209 60 A C 0.916 178.520 177.584 0.033 0.000 1.187 60 A CA -0.150 51.906 52.037 0.032 0.000 0.823 60 A CB 0.228 19.254 19.000 0.044 0.000 0.846 60 A HN -0.006 nan 8.150 nan 0.000 0.486 61 V N 1.164 121.089 119.914 0.019 0.000 2.470 61 V HA 0.103 4.222 4.120 -0.001 0.000 0.276 61 V C 1.139 177.232 176.094 -0.003 0.000 1.040 61 V CA 0.321 62.624 62.300 0.005 0.000 1.008 61 V CB 0.942 32.755 31.823 -0.016 0.000 0.990 61 V HN 0.525 nan 8.190 nan 0.000 0.477 62 L N 2.818 124.040 121.223 -0.002 0.000 2.537 62 L HA 0.345 4.684 4.340 -0.001 0.000 0.224 62 L C 0.519 177.375 176.870 -0.024 0.000 1.065 62 L CA 0.336 55.171 54.840 -0.008 0.000 0.860 62 L CB 0.386 42.448 42.059 0.005 0.000 1.086 62 L HN 0.618 nan 8.230 nan 0.000 0.482 63 Q N -0.149 119.628 119.800 -0.039 0.000 2.280 63 Q HA 0.548 4.887 4.340 -0.001 0.000 0.259 63 Q C -0.565 175.377 176.000 -0.097 0.000 0.964 63 Q CA -0.134 55.632 55.803 -0.062 0.000 0.844 63 Q CB 2.068 30.772 28.738 -0.058 0.000 1.334 63 Q HN 0.134 nan 8.270 nan 0.000 0.423 64 G N 2.581 111.319 108.800 -0.103 0.000 2.828 64 G HA2 0.682 4.642 3.960 -0.001 0.000 0.244 64 G HA3 0.682 4.642 3.960 -0.001 0.000 0.244 64 G C -2.434 172.376 174.900 -0.149 0.000 1.365 64 G CA -1.678 43.339 45.100 -0.137 0.000 1.041 64 G HN 0.527 nan 8.290 nan 0.000 0.560 65 P HA 0.273 nan 4.420 nan 0.000 0.265 65 P C 0.703 177.923 177.300 -0.135 0.000 1.187 65 P CA 1.552 64.555 63.100 -0.162 0.000 0.766 65 P CB 1.121 32.723 31.700 -0.163 0.000 0.820 66 G N 1.158 109.875 108.800 -0.138 0.000 3.134 66 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.195 66 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.195 66 G C 0.011 174.851 174.900 -0.101 0.000 1.054 66 G CA -0.366 44.666 45.100 -0.113 0.000 0.828 66 G HN 0.479 nan 8.290 nan 0.000 0.462 67 E N 0.469 120.608 120.200 -0.102 0.000 2.254 67 E HA 0.393 4.742 4.350 -0.001 0.000 0.258 67 E C 0.782 177.324 176.600 -0.095 0.000 1.033 67 E CA -0.693 55.655 56.400 -0.086 0.000 0.893 67 E CB 0.448 30.102 29.700 -0.075 0.000 1.204 67 E HN 0.333 nan 8.360 nan 0.000 0.425 68 N N -0.261 118.393 118.700 -0.076 0.000 2.417 68 N HA -0.083 4.656 4.740 -0.001 0.000 0.187 68 N C 0.112 175.568 175.510 -0.089 0.000 1.027 68 N CA 0.808 53.814 53.050 -0.073 0.000 0.891 68 N CB 0.172 38.628 38.487 -0.051 0.000 0.956 68 N HN 0.373 nan 8.380 nan 0.000 0.442 69 A N -0.674 122.082 122.820 -0.108 0.000 2.566 69 A HA 0.627 4.947 4.320 -0.001 0.000 0.290 69 A C -0.751 176.719 177.584 -0.190 0.000 1.071 69 A CA -0.572 51.376 52.037 -0.149 0.000 0.658 69 A CB 0.555 19.490 19.000 -0.108 0.000 1.285 69 A HN 0.046 nan 8.150 nan 0.000 0.427 70 G N -0.584 108.027 108.800 -0.316 0.000 2.400 70 G HA2 0.601 4.560 3.960 -0.001 0.000 0.301 70 G HA3 0.601 4.560 3.960 -0.001 0.000 0.301 70 G C -0.856 173.895 174.900 -0.249 0.000 1.154 70 G CA -0.338 44.552 45.100 -0.351 0.000 0.852 70 G HN 1.273 nan 8.290 nan 0.000 0.511 71 V N 1.447 121.296 119.914 -0.108 0.000 2.709 71 V HA 0.676 4.796 4.120 -0.001 0.000 0.308 71 V C 0.036 176.167 176.094 0.062 0.000 1.062 71 V CA -0.748 61.565 62.300 0.021 0.000 0.901 71 V CB 1.490 33.323 31.823 0.017 0.000 1.003 71 V HN 0.948 nan 8.190 nan 0.000 0.425 72 V N 1.710 121.710 119.914 0.143 0.000 2.962 72 V HA 0.753 4.872 4.120 -0.001 0.000 0.313 72 V C -0.430 175.724 176.094 0.100 0.000 1.099 72 V CA -1.207 61.166 62.300 0.123 0.000 0.971 72 V CB 1.928 33.860 31.823 0.180 0.000 1.028 72 V HN 0.900 nan 8.190 nan 0.000 0.430 73 R N 1.505 122.048 120.500 0.072 0.000 2.390 73 R HA 0.623 4.963 4.340 -0.001 0.000 0.291 73 R C 0.518 176.863 176.300 0.074 0.000 1.070 73 R CA 0.293 56.434 56.100 0.068 0.000 1.014 73 R CB 1.674 32.001 30.300 0.045 0.000 1.007 73 R HN 1.097 nan 8.270 nan 0.000 0.466 74 V N 0.702 120.673 119.914 0.096 0.000 3.556 74 V HA 0.545 4.665 4.120 -0.001 0.000 0.287 74 V C 0.549 176.704 176.094 0.102 0.000 1.422 74 V CA 0.473 62.824 62.300 0.086 0.000 1.038 74 V CB -0.211 31.659 31.823 0.079 0.000 0.850 74 V HN 1.017 nan 8.190 nan 0.000 0.437 75 G N 0.448 109.320 108.800 0.120 0.000 2.515 75 G HA2 0.035 3.995 3.960 -0.001 0.000 0.686 75 G HA3 0.035 3.995 3.960 -0.001 0.000 0.686 75 G C -0.181 174.826 174.900 0.179 0.000 1.274 75 G CA -0.210 44.960 45.100 0.117 0.000 0.874 75 G HN 0.745 nan 8.290 nan 0.000 0.631 76 E N -1.089 119.183 120.200 0.119 0.000 2.494 76 E HA -0.198 4.152 4.350 -0.001 0.000 0.249 76 E C 1.609 178.205 176.600 -0.007 0.000 1.184 76 E CA 1.926 58.391 56.400 0.109 0.000 0.727 76 E CB -1.387 28.441 29.700 0.214 0.000 1.281 76 E HN 2.688 nan 8.360 nan 0.000 0.405 77 G N -1.625 107.138 108.800 -0.062 0.000 2.199 77 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.254 77 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.254 77 G C -0.101 174.625 174.900 -0.290 0.000 0.982 77 G CA 0.256 45.220 45.100 -0.228 0.000 0.632 77 G HN 0.258 nan 8.290 nan 0.000 0.529 78 W N 0.805 122.088 121.300 -0.029 0.000 2.375 78 W HA 0.768 5.427 4.660 -0.001 0.000 0.336 78 W C 0.369 176.880 176.519 -0.014 0.000 1.160 78 W CA 0.034 57.363 57.345 -0.026 0.000 1.266 78 W CB 1.512 30.959 29.460 -0.020 0.000 1.195 78 W HN 0.586 nan 8.180 nan 0.000 0.599 79 A N 0.982 123.967 122.820 0.276 0.000 2.479 79 A HA 0.904 5.224 4.320 -0.001 0.000 0.296 79 A C -1.747 175.937 177.584 0.166 0.000 1.121 79 A CA -0.787 51.349 52.037 0.166 0.000 0.743 79 A CB 1.590 20.652 19.000 0.102 0.000 1.323 79 A HN 0.412 nan 8.150 nan 0.000 0.415 80 V N 0.463 120.460 119.914 0.139 0.000 2.623 80 V HA 0.682 4.802 4.120 -0.001 0.000 0.304 80 V C 0.147 176.373 176.094 0.221 0.000 1.054 80 V CA -0.230 62.154 62.300 0.140 0.000 0.882 80 V CB 1.486 33.354 31.823 0.075 0.000 1.002 80 V HN 1.422 nan 8.190 nan 0.000 0.424 81 A N 5.346 128.283 122.820 0.194 0.000 2.312 81 A HA 1.052 5.372 4.320 -0.001 0.000 0.326 81 A C -0.909 176.857 177.584 0.303 0.000 1.172 81 A CA -0.359 51.788 52.037 0.184 0.000 0.821 81 A CB 0.942 19.986 19.000 0.073 0.000 1.166 81 A HN 1.312 nan 8.150 nan 0.000 0.493 82 F N -0.240 119.696 119.950 -0.024 0.000 2.713 82 F HA 0.879 5.405 4.527 -0.001 0.000 0.311 82 F C -0.959 174.822 175.800 -0.032 0.000 1.141 82 F CA -1.023 56.961 58.000 -0.027 0.000 0.939 82 F CB 1.317 40.305 39.000 -0.020 0.000 1.325 82 F HN 0.769 nan 8.300 nan 0.000 0.453 83 K N 1.415 121.836 120.400 0.036 0.000 2.685 83 K HA 0.655 4.974 4.320 -0.001 0.000 0.290 83 K C -2.506 174.112 176.600 0.029 0.000 1.018 83 K CA -0.749 55.495 56.287 -0.071 0.000 0.860 83 K CB 2.877 35.310 32.500 -0.111 0.000 1.498 83 K HN 0.988 nan 8.250 nan 0.000 0.390 84 I N 1.384 121.962 120.570 0.013 0.000 2.582 84 I HA 0.418 4.588 4.170 -0.001 0.000 0.292 84 I C -1.087 175.043 176.117 0.021 0.000 1.066 84 I CA -0.349 60.969 61.300 0.029 0.000 1.053 84 I CB 1.976 40.006 38.000 0.050 0.000 1.241 84 I HN 0.721 nan 8.210 nan 0.000 0.421 85 E N 3.457 123.672 120.200 0.026 0.000 2.393 85 E HA 0.589 4.938 4.350 -0.001 0.000 0.265 85 E C -1.392 175.246 176.600 0.063 0.000 0.941 85 E CA -0.802 55.630 56.400 0.053 0.000 0.801 85 E CB 2.296 32.041 29.700 0.074 0.000 1.313 85 E HN 0.616 nan 8.360 nan 0.000 0.435 86 S N -0.324 115.439 115.700 0.104 0.000 2.570 86 S HA 0.539 5.009 4.470 -0.001 0.000 0.286 86 S C -0.906 173.806 174.600 0.186 0.000 1.099 86 S CA -0.658 57.601 58.200 0.098 0.000 0.913 86 S CB 1.481 64.708 63.200 0.044 0.000 1.085 86 S HN 0.625 nan 8.310 nan 0.000 0.480 87 H N 0.776 119.855 119.070 0.015 0.000 2.947 87 H HA 0.414 4.970 4.556 -0.000 0.000 0.222 87 H C 0.470 175.808 175.328 0.017 0.000 1.414 87 H CA -0.461 55.606 56.048 0.031 0.000 1.224 87 H CB -0.099 29.669 29.762 0.011 0.000 2.100 87 H HN 0.576 nan 8.280 nan 0.000 0.524 88 N N -0.078 118.633 118.700 0.018 0.000 2.022 88 N HA -0.164 4.576 4.740 -0.001 0.000 0.195 88 N C 1.608 177.090 175.510 -0.047 0.000 1.063 88 N CA 1.326 54.341 53.050 -0.058 0.000 0.851 88 N CB -0.316 38.065 38.487 -0.177 0.000 1.050 88 N HN 0.548 nan 8.380 nan 0.000 0.425 89 H N 1.095 120.186 119.070 0.035 0.000 2.321 89 H HA -0.069 4.487 4.556 -0.001 0.000 0.295 89 H C -0.575 174.779 175.328 0.045 0.000 1.102 89 H CA 1.729 57.798 56.048 0.036 0.000 1.266 89 H CB -1.531 28.234 29.762 0.005 0.000 1.363 89 H HN 0.366 nan 8.280 nan 0.000 0.492 90 P HA -0.035 nan 4.420 nan 0.000 0.217 90 P C 1.672 179.068 177.300 0.160 0.000 1.150 90 P CA 1.203 64.386 63.100 0.138 0.000 0.832 90 P CB 0.085 31.866 31.700 0.135 0.000 0.787 91 S N -0.073 115.723 115.700 0.160 0.000 2.423 91 S HA 0.010 4.480 4.470 -0.001 0.000 0.231 91 S C 2.139 176.836 174.600 0.162 0.000 1.014 91 S CA 1.037 59.331 58.200 0.156 0.000 0.965 91 S CB -0.712 62.574 63.200 0.143 0.000 0.785 91 S HN 0.190 nan 8.310 nan 0.000 0.495 92 A N 1.204 124.115 122.820 0.151 0.000 1.930 92 A HA -0.026 4.294 4.320 -0.001 0.000 0.217 92 A C 2.372 180.053 177.584 0.162 0.000 1.175 92 A CA 1.545 53.678 52.037 0.160 0.000 0.627 92 A CB -0.792 18.292 19.000 0.141 0.000 0.815 92 A HN 0.532 nan 8.150 nan 0.000 0.443 93 V N -3.640 116.364 119.914 0.149 0.000 2.719 93 V HA 0.153 4.273 4.120 -0.001 0.000 0.252 93 V C 0.541 176.724 176.094 0.148 0.000 1.065 93 V CA 1.655 64.035 62.300 0.133 0.000 1.086 93 V CB 0.051 31.940 31.823 0.109 0.000 0.700 93 V HN 0.383 nan 8.190 nan 0.000 0.467 94 E N 0.665 120.964 120.200 0.164 0.000 2.565 94 E HA 0.258 4.608 4.350 -0.001 0.000 0.343 94 E C -2.364 174.342 176.600 0.178 0.000 0.968 94 E CA -1.230 55.278 56.400 0.180 0.000 0.773 94 E CB 1.946 31.740 29.700 0.156 0.000 1.513 94 E HN 0.272 nan 8.360 nan 0.000 0.384 95 P HA -0.160 nan 4.420 nan 0.000 0.216 95 P C 1.453 178.818 177.300 0.109 0.000 1.150 95 P CA 0.873 64.039 63.100 0.109 0.000 0.843 95 P CB 0.080 31.783 31.700 0.005 0.000 0.787 96 F N 1.135 121.082 119.950 -0.005 0.000 2.060 96 F HA -0.143 4.384 4.527 -0.001 0.000 0.295 96 F C 2.815 178.650 175.800 0.057 0.000 1.120 96 F CA 1.710 59.715 58.000 0.008 0.000 1.205 96 F CB -0.855 38.130 39.000 -0.025 0.000 0.986 96 F HN -0.150 nan 8.300 nan 0.000 0.470 97 Q N 0.386 120.400 119.800 0.357 0.000 2.079 97 Q HA -0.112 4.228 4.340 -0.001 0.000 0.200 97 Q C 2.346 178.422 176.000 0.128 0.000 0.974 97 Q CA 1.635 57.592 55.803 0.257 0.000 0.840 97 Q CB -0.838 28.038 28.738 0.231 0.000 0.898 97 Q HN 0.537 nan 8.270 nan 0.000 0.430 98 G N 0.793 109.674 108.800 0.134 0.000 2.491 98 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.218 98 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.218 98 G C 1.531 176.438 174.900 0.011 0.000 1.180 98 G CA 1.611 46.793 45.100 0.136 0.000 0.774 98 G HN 0.533 nan 8.290 nan 0.000 0.562 99 A N 1.171 123.980 122.820 -0.019 0.000 1.858 99 A HA 0.224 4.544 4.320 -0.001 0.000 0.216 99 A C 2.873 180.350 177.584 -0.177 0.000 1.190 99 A CA 2.615 54.597 52.037 -0.091 0.000 0.617 99 A CB -1.005 17.944 19.000 -0.084 0.000 0.827 99 A HN 0.951 nan 8.150 nan 0.000 0.443 100 A N -1.332 121.391 122.820 -0.161 0.000 1.908 100 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 100 A C 2.287 179.693 177.584 -0.297 0.000 1.181 100 A CA 2.371 54.333 52.037 -0.124 0.000 0.627 100 A CB -1.274 17.791 19.000 0.108 0.000 0.818 100 A HN 0.428 nan 8.150 nan 0.000 0.445 101 T N -0.571 113.835 114.554 -0.247 0.000 2.951 101 T HA 0.041 4.390 4.350 -0.001 0.000 0.268 101 T C 1.844 176.151 174.700 -0.654 0.000 1.073 101 T CA 1.159 63.045 62.100 -0.357 0.000 1.134 101 T CB -0.332 68.438 68.868 -0.164 0.000 0.884 101 T HN 0.593 nan 8.240 nan 0.000 0.479 102 G N 0.742 109.108 108.800 -0.724 0.000 2.408 102 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.217 102 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.217 102 G C 1.648 176.298 174.900 -0.418 0.000 1.150 102 G CA 0.558 45.234 45.100 -0.706 0.000 0.776 102 G HN 0.425 nan 8.290 nan 0.000 0.542 103 V N 1.488 121.150 119.914 -0.420 0.000 2.358 103 V HA -0.033 4.087 4.120 -0.001 0.000 0.246 103 V C 3.121 178.886 176.094 -0.549 0.000 1.047 103 V CA 1.936 63.996 62.300 -0.400 0.000 1.035 103 V CB -0.890 30.724 31.823 -0.349 0.000 0.658 103 V HN 0.421 nan 8.190 nan 0.000 0.452 104 G N 0.103 108.350 108.800 -0.922 0.000 2.421 104 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.216 104 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.216 104 G C 1.636 176.316 174.900 -0.366 0.000 1.171 104 G CA 0.981 45.541 45.100 -0.900 0.000 0.775 104 G HN 0.572 nan 8.290 nan 0.000 0.543 105 G N 0.935 109.558 108.800 -0.295 0.000 2.433 105 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.216 105 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.216 105 G C 1.746 176.586 174.900 -0.101 0.000 1.186 105 G CA 0.983 46.001 45.100 -0.136 0.000 0.779 105 G HN 0.359 nan 8.290 nan 0.000 0.543 106 I N 0.139 120.637 120.570 -0.119 0.000 2.361 106 I HA -0.063 4.107 4.170 -0.001 0.000 0.251 106 I C 2.391 178.463 176.117 -0.076 0.000 1.133 106 I CA 0.635 61.889 61.300 -0.077 0.000 1.413 106 I CB -0.174 37.781 38.000 -0.075 0.000 1.073 106 I HN 0.031 nan 8.210 nan 0.000 0.424 107 L N 0.299 121.458 121.223 -0.107 0.000 2.046 107 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 107 L C 2.614 179.448 176.870 -0.059 0.000 1.077 107 L CA 1.709 56.502 54.840 -0.079 0.000 0.747 107 L CB -1.025 40.987 42.059 -0.079 0.000 0.896 107 L HN 0.232 nan 8.230 nan 0.000 0.432 108 R N -0.702 119.761 120.500 -0.062 0.000 2.092 108 R HA -0.134 4.206 4.340 -0.001 0.000 0.231 108 R C 1.822 178.100 176.300 -0.037 0.000 1.119 108 R CA 1.209 57.283 56.100 -0.044 0.000 0.970 108 R CB -0.354 29.922 30.300 -0.040 0.000 0.864 108 R HN 0.414 nan 8.270 nan 0.000 0.440 109 D N 0.553 120.930 120.400 -0.037 0.000 2.117 109 D HA -0.101 4.539 4.640 -0.001 0.000 0.197 109 D C 1.146 177.426 176.300 -0.033 0.000 0.987 109 D CA 0.890 54.870 54.000 -0.034 0.000 0.829 109 D CB -0.008 40.771 40.800 -0.035 0.000 0.961 109 D HN 0.006 nan 8.370 nan 0.000 0.460 115 A N 0.796 123.632 122.820 0.026 0.000 2.292 115 A HA 0.791 5.110 4.320 -0.001 0.000 0.319 115 A C 0.284 177.875 177.584 0.012 0.000 1.206 115 A CA -0.647 51.416 52.037 0.043 0.000 0.835 115 A CB 0.690 19.721 19.000 0.052 0.000 1.164 115 A HN 0.345 nan 8.150 nan 0.000 0.505 116 R N 3.346 123.855 120.500 0.016 0.000 2.248 116 R HA 0.298 4.638 4.340 -0.001 0.000 0.328 116 R C -2.644 173.638 176.300 -0.030 0.000 1.067 116 R CA -1.515 54.572 56.100 -0.023 0.000 0.924 116 R CB 0.260 30.548 30.300 -0.020 0.000 1.013 116 R HN 0.353 nan 8.270 nan 0.000 0.454 117 P HA -0.074 nan 4.420 nan 0.000 0.260 117 P C 0.076 177.340 177.300 -0.059 0.000 1.185 117 P CA 0.515 63.587 63.100 -0.047 0.000 0.763 117 P CB 0.374 32.039 31.700 -0.059 0.000 0.776 118 I N 0.877 121.415 120.570 -0.052 0.000 4.288 118 I HA 0.637 4.806 4.170 -0.001 0.000 0.331 118 I C 0.291 176.376 176.117 -0.055 0.000 1.322 118 I CA -0.195 61.067 61.300 -0.063 0.000 1.149 118 I CB 0.607 38.560 38.000 -0.077 0.000 1.112 118 I HN 0.165 nan 8.210 nan 0.000 0.403 119 A N 1.384 124.175 122.820 -0.049 0.000 2.605 119 A HA 0.797 5.117 4.320 -0.001 0.000 0.294 119 A C -1.693 175.861 177.584 -0.049 0.000 1.062 119 A CA -0.438 51.571 52.037 -0.047 0.000 0.682 119 A CB 1.429 20.400 19.000 -0.048 0.000 1.278 119 A HN 0.213 nan 8.150 nan 0.000 0.410 120 L N 0.909 122.096 121.223 -0.060 0.000 2.381 120 L HA 0.739 5.079 4.340 -0.001 0.000 0.268 120 L C -1.481 175.354 176.870 -0.058 0.000 0.997 120 L CA -0.760 54.037 54.840 -0.072 0.000 0.818 120 L CB 2.057 44.045 42.059 -0.118 0.000 1.310 120 L HN 0.633 nan 8.230 nan 0.000 0.416 121 L N 2.679 123.879 121.223 -0.039 0.000 2.410 121 L HA 0.489 4.829 4.340 -0.001 0.000 0.270 121 L C -0.927 175.936 176.870 -0.011 0.000 0.983 121 L CA -0.492 54.344 54.840 -0.006 0.000 0.822 121 L CB 2.137 44.196 42.059 -0.001 0.000 1.285 121 L HN 0.498 nan 8.230 nan 0.000 0.409 122 D N 0.631 121.039 120.400 0.013 0.000 2.252 122 D HA 0.389 5.029 4.640 -0.001 0.000 0.245 122 D C -0.755 175.531 176.300 -0.022 0.000 1.009 122 D CA -0.550 53.439 54.000 -0.020 0.000 0.870 122 D CB 2.324 43.104 40.800 -0.032 0.000 1.251 122 D HN 0.254 nan 8.370 nan 0.000 0.460 123 S N 1.624 117.281 115.700 -0.071 0.000 2.669 123 S HA 0.478 4.948 4.470 -0.001 0.000 0.315 123 S C -0.700 173.772 174.600 -0.213 0.000 1.106 123 S CA -0.741 57.393 58.200 -0.110 0.000 1.107 123 S CB -0.105 63.041 63.200 -0.090 0.000 0.990 123 S HN 0.336 nan 8.310 nan 0.000 0.471 124 L N 4.797 125.845 121.223 -0.292 0.000 2.346 124 L HA 0.752 5.092 4.340 -0.001 0.000 0.274 124 L C -0.122 176.290 176.870 -0.763 0.000 1.007 124 L CA -1.046 53.461 54.840 -0.556 0.000 0.818 124 L CB 1.547 43.299 42.059 -0.511 0.000 1.284 124 L HN 0.354 nan 8.230 nan 0.000 0.424 125 R N 2.847 122.685 120.500 -1.104 0.000 2.514 125 R HA 0.646 4.986 4.340 -0.001 0.000 0.296 125 R C -1.520 174.102 176.300 -1.131 0.000 1.012 125 R CA -0.514 54.891 56.100 -1.158 0.000 0.897 125 R CB 1.966 31.252 30.300 -1.689 0.000 1.184 125 R HN 0.350 nan 8.270 nan 0.000 0.440 126 F N -0.869 118.908 119.950 -0.287 0.000 2.664 126 F HA 0.625 5.152 4.527 -0.000 0.000 0.329 126 F C 1.387 177.328 175.800 0.235 0.000 1.090 126 F CA -0.916 57.075 58.000 -0.015 0.000 0.978 126 F CB 0.929 39.914 39.000 -0.026 0.000 1.378 126 F HN 0.529 nan 8.300 nan 0.000 0.495 127 G N -0.090 109.010 108.800 0.500 0.000 2.611 127 G HA2 0.418 4.377 3.960 -0.001 0.000 0.273 127 G HA3 0.418 4.377 3.960 -0.001 0.000 0.273 127 G C -2.784 172.369 174.900 0.423 0.000 1.305 127 G CA -1.378 43.965 45.100 0.404 0.000 1.010 127 G HN 0.309 nan 8.290 nan 0.000 0.509 128 P HA 0.052 nan 4.420 nan 0.000 0.264 128 P C -1.654 175.699 177.300 0.088 0.000 1.183 128 P CA -0.652 62.552 63.100 0.174 0.000 0.763 128 P CB 0.675 32.438 31.700 0.106 0.000 0.807 129 P HA -0.170 nan 4.420 nan 0.000 0.231 129 P C 0.782 177.946 177.300 -0.228 0.000 1.158 129 P CA 1.262 64.077 63.100 -0.475 0.000 0.763 129 P CB 0.065 31.113 31.700 -1.086 0.000 0.805 130 E N 0.292 120.424 120.200 -0.113 0.000 2.340 130 E HA -0.002 4.348 4.350 -0.001 0.000 0.194 130 E C 0.165 176.749 176.600 -0.028 0.000 0.996 130 E CA 0.199 56.557 56.400 -0.069 0.000 0.869 130 E CB -0.386 29.288 29.700 -0.044 0.000 0.835 130 E HN 0.306 nan 8.360 nan 0.000 0.493 131 E N 0.894 121.095 120.200 0.002 0.000 2.338 131 E HA 0.291 4.640 4.350 -0.001 0.000 0.272 131 E C 0.742 177.359 176.600 0.028 0.000 1.029 131 E CA 0.162 56.578 56.400 0.026 0.000 0.872 131 E CB 1.399 31.134 29.700 0.058 0.000 1.015 131 E HN 0.237 nan 8.360 nan 0.000 0.417 132 A N 4.335 127.168 122.820 0.022 0.000 1.903 132 A HA -0.299 4.020 4.320 -0.001 0.000 0.219 132 A C 2.069 179.686 177.584 0.054 0.000 1.191 132 A CA 2.030 54.082 52.037 0.025 0.000 0.638 132 A CB -0.346 18.658 19.000 0.006 0.000 0.823 132 A HN 0.723 nan 8.150 nan 0.000 0.451 133 R N -0.415 120.118 120.500 0.055 0.000 2.081 133 R HA -0.107 4.233 4.340 -0.001 0.000 0.235 133 R C 2.401 178.763 176.300 0.102 0.000 1.131 133 R CA 1.723 57.876 56.100 0.089 0.000 0.960 133 R CB -0.332 30.013 30.300 0.075 0.000 0.856 133 R HN 0.507 nan 8.270 nan 0.000 0.436 134 S N 0.410 116.164 115.700 0.090 0.000 2.365 134 S HA -0.155 4.314 4.470 -0.001 0.000 0.225 134 S C 1.831 176.408 174.600 -0.038 0.000 1.039 134 S CA 1.442 59.690 58.200 0.079 0.000 1.033 134 S CB -0.237 63.088 63.200 0.209 0.000 0.887 134 S HN 0.419 nan 8.310 nan 0.000 0.447 135 R N -0.539 119.967 120.500 0.010 0.000 2.075 135 R HA -0.087 4.253 4.340 -0.001 0.000 0.232 135 R C 2.250 178.521 176.300 -0.048 0.000 1.126 135 R CA 1.452 57.540 56.100 -0.021 0.000 0.963 135 R CB -0.520 29.777 30.300 -0.005 0.000 0.858 135 R HN 0.500 nan 8.270 nan 0.000 0.435 136 Y N 1.836 122.075 120.300 -0.102 0.000 2.097 136 Y HA -0.224 4.326 4.550 -0.001 0.000 0.282 136 Y C 2.030 177.845 175.900 -0.142 0.000 1.152 136 Y CA 1.589 59.636 58.100 -0.087 0.000 1.136 136 Y CB -0.388 38.043 38.460 -0.049 0.000 0.975 136 Y HN -0.071 nan 8.280 nan 0.000 0.498 137 L N -0.382 120.719 121.223 -0.203 0.000 2.046 137 L HA -0.256 4.084 4.340 -0.001 0.000 0.208 137 L C 2.635 179.103 176.870 -0.670 0.000 1.077 137 L CA 1.294 55.892 54.840 -0.405 0.000 0.747 137 L CB -0.715 41.120 42.059 -0.374 0.000 0.896 137 L HN 0.364 nan 8.230 nan 0.000 0.432 138 L N 0.002 120.703 121.223 -0.871 0.000 2.012 138 L HA -0.270 4.070 4.340 -0.001 0.000 0.210 138 L C 2.678 179.402 176.870 -0.245 0.000 1.073 138 L CA 1.744 56.228 54.840 -0.594 0.000 0.748 138 L CB -0.171 41.716 42.059 -0.286 0.000 0.891 138 L HN 0.272 nan 8.230 nan 0.000 0.431 139 K N -0.578 119.683 120.400 -0.231 0.000 2.026 139 K HA -0.138 4.181 4.320 -0.001 0.000 0.208 139 K C 1.965 178.476 176.600 -0.149 0.000 1.048 139 K CA 1.292 57.483 56.287 -0.160 0.000 0.929 139 K CB -0.526 31.882 32.500 -0.154 0.000 0.713 139 K HN 0.499 nan 8.250 nan 0.000 0.439 140 G N 1.052 109.696 108.800 -0.260 0.000 2.480 140 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.216 140 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.216 140 G C 1.612 176.472 174.900 -0.067 0.000 1.200 140 G CA 1.298 46.306 45.100 -0.154 0.000 0.782 140 G HN 0.285 nan 8.290 nan 0.000 0.554 141 V N 0.891 120.770 119.914 -0.059 0.000 2.407 141 V HA -0.161 3.958 4.120 -0.001 0.000 0.248 141 V C 2.909 178.983 176.094 -0.034 0.000 1.055 141 V CA 2.546 64.837 62.300 -0.016 0.000 1.049 141 V CB -0.719 31.179 31.823 0.126 0.000 0.662 141 V HN 0.526 nan 8.190 nan 0.000 0.455 142 V N -0.855 119.058 119.914 -0.001 0.000 2.548 142 V HA -0.086 4.034 4.120 -0.001 0.000 0.249 142 V C 2.439 178.553 176.094 0.033 0.000 1.055 142 V CA 2.239 64.567 62.300 0.046 0.000 1.065 142 V CB -1.039 30.788 31.823 0.006 0.000 0.681 142 V HN 0.538 nan 8.190 nan 0.000 0.462 143 S N 1.522 117.210 115.700 -0.019 0.000 2.356 143 S HA -0.007 4.462 4.470 -0.001 0.000 0.223 143 S C 2.034 176.492 174.600 -0.236 0.000 1.032 143 S CA 1.665 59.883 58.200 0.031 0.000 1.005 143 S CB -1.010 62.335 63.200 0.240 0.000 0.867 143 S HN 0.831 nan 8.310 nan 0.000 0.449 144 G N 1.543 109.911 108.800 -0.721 0.000 2.418 144 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.217 144 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.217 144 G C 1.350 176.064 174.900 -0.310 0.000 1.158 144 G CA 0.617 45.056 45.100 -1.102 0.000 0.771 144 G HN 0.466 nan 8.290 nan 0.000 0.545 145 I N 1.246 121.724 120.570 -0.154 0.000 2.252 145 I HA -0.162 4.007 4.170 -0.001 0.000 0.245 145 I C 3.287 179.405 176.117 0.001 0.000 1.102 145 I CA 0.936 62.188 61.300 -0.079 0.000 1.385 145 I CB -0.210 37.743 38.000 -0.077 0.000 1.064 145 I HN 0.255 nan 8.210 nan 0.000 0.414 146 A N 0.756 123.688 122.820 0.187 0.000 1.933 146 A HA -0.264 4.056 4.320 -0.001 0.000 0.218 146 A C 2.272 179.968 177.584 0.188 0.000 1.175 146 A CA 1.436 53.663 52.037 0.317 0.000 0.628 146 A CB -1.010 18.189 19.000 0.331 0.000 0.814 146 A HN 0.509 nan 8.150 nan 0.000 0.444 147 F N -1.265 118.695 119.950 0.016 0.000 2.069 147 F HA -0.237 4.289 4.527 -0.001 0.000 0.298 147 F C 2.198 177.968 175.800 -0.049 0.000 1.113 147 F CA 2.209 60.224 58.000 0.024 0.000 1.214 147 F CB -0.359 38.680 39.000 0.065 0.000 0.978 147 F HN 0.298 nan 8.300 nan 0.000 0.474 148 Y N 0.957 120.930 120.300 -0.545 0.000 2.133 148 Y HA 0.007 4.557 4.550 -0.000 0.000 0.287 148 Y C 2.560 178.189 175.900 -0.452 0.000 1.134 148 Y CA 1.727 59.417 58.100 -0.684 0.000 1.133 148 Y CB -1.035 37.186 38.460 -0.399 0.000 0.987 148 Y HN 0.133 nan 8.280 nan 0.000 0.502 149 G N -0.492 108.261 108.800 -0.078 0.000 2.418 149 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.217 149 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.217 149 G C 1.424 176.289 174.900 -0.058 0.000 1.158 149 G CA 1.139 46.193 45.100 -0.077 0.000 0.771 149 G HN 0.500 nan 8.290 nan 0.000 0.545 150 N N 0.710 119.408 118.700 -0.004 0.000 2.188 150 N HA -0.023 4.717 4.740 -0.001 0.000 0.184 150 N C 2.500 178.035 175.510 0.042 0.000 1.018 150 N CA 0.690 53.814 53.050 0.125 0.000 0.858 150 N CB -0.100 38.454 38.487 0.113 0.000 0.989 150 N HN 0.367 nan 8.380 nan 0.000 0.426 151 A N 0.911 123.569 122.820 -0.270 0.000 1.968 151 A HA 0.007 4.327 4.320 -0.001 0.000 0.217 151 A C 1.980 179.264 177.584 -0.500 0.000 1.169 151 A CA 0.684 52.415 52.037 -0.511 0.000 0.638 151 A CB -0.241 18.037 19.000 -1.203 0.000 0.812 151 A HN 0.290 nan 8.150 nan 0.000 0.446 152 I N -1.397 118.881 120.570 -0.487 0.000 3.728 152 I HA 0.197 4.366 4.170 -0.001 0.000 0.307 152 I C 1.303 177.231 176.117 -0.315 0.000 1.276 152 I CA 0.938 62.007 61.300 -0.385 0.000 1.285 152 I CB 0.125 37.923 38.000 -0.336 0.000 1.038 152 I HN 0.453 nan 8.210 nan 0.000 0.445 153 G N 1.046 109.606 108.800 -0.400 0.000 2.137 153 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.237 153 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.237 153 G C -0.023 174.627 174.900 -0.417 0.000 1.002 153 G CA 0.181 44.858 45.100 -0.705 0.000 0.702 153 G HN 0.213 nan 8.290 nan 0.000 0.515 154 V N 2.513 122.301 119.914 -0.210 0.000 2.378 154 V HA 0.548 4.668 4.120 -0.001 0.000 0.288 154 V C -1.510 174.561 176.094 -0.037 0.000 1.016 154 V CA -1.548 60.686 62.300 -0.110 0.000 0.840 154 V CB 2.111 33.876 31.823 -0.096 0.000 0.994 154 V HN 0.236 nan 8.190 nan 0.000 0.431 155 P HA 0.199 nan 4.420 nan 0.000 0.274 155 P C -0.345 176.934 177.300 -0.036 0.000 1.231 155 P CA -0.156 62.970 63.100 0.043 0.000 0.790 155 P CB 0.946 32.696 31.700 0.083 0.000 0.951 156 T N 1.755 116.258 114.554 -0.085 0.000 2.811 156 T HA 0.180 4.530 4.350 -0.001 0.000 0.309 156 T C 1.358 176.086 174.700 0.047 0.000 1.005 156 T CA -0.371 61.638 62.100 -0.152 0.000 0.955 156 T CB 0.074 68.578 68.868 -0.607 0.000 0.970 156 T HN 0.283 nan 8.240 nan 0.000 0.496 157 V N 1.247 121.161 119.914 0.001 0.000 3.461 157 V HA 0.561 4.680 4.120 -0.001 0.000 0.267 157 V C 0.951 176.943 176.094 -0.171 0.000 1.186 157 V CA 0.920 63.194 62.300 -0.043 0.000 1.154 157 V CB -1.065 30.728 31.823 -0.050 0.000 0.802 157 V HN 0.937 nan 8.190 nan 0.000 0.474 158 G N -1.997 106.741 108.800 -0.103 0.000 2.344 158 G HA2 0.610 4.570 3.960 -0.001 0.000 0.282 158 G HA3 0.610 4.570 3.960 -0.001 0.000 0.282 158 G C -0.343 174.631 174.900 0.124 0.000 1.281 158 G CA -0.043 44.920 45.100 -0.228 0.000 0.877 158 G HN 1.466 nan 8.290 nan 0.000 0.494 159 G N -0.984 107.890 108.800 0.124 0.000 2.398 159 G HA2 0.542 4.502 3.960 -0.001 0.000 0.251 159 G HA3 0.542 4.502 3.960 -0.001 0.000 0.251 159 G C -2.251 172.718 174.900 0.114 0.000 1.277 159 G CA 0.741 45.918 45.100 0.128 0.000 0.927 159 G HN 1.434 nan 8.290 nan 0.000 0.477 160 D N -0.819 119.624 120.400 0.072 0.000 2.763 160 D HA 0.560 5.199 4.640 -0.001 0.000 0.235 160 D C -1.321 174.969 176.300 -0.017 0.000 1.334 160 D CA -0.328 53.697 54.000 0.041 0.000 0.950 160 D CB 1.690 42.493 40.800 0.004 0.000 1.433 160 D HN 0.601 nan 8.370 nan 0.000 0.580 161 L N 4.834 126.058 121.223 0.001 0.000 2.341 161 L HA 0.766 5.106 4.340 -0.001 0.000 0.278 161 L C -2.072 174.752 176.870 -0.077 0.000 1.005 161 L CA -0.613 54.160 54.840 -0.112 0.000 0.818 161 L CB 1.301 43.304 42.059 -0.093 0.000 1.259 161 L HN 0.506 nan 8.230 nan 0.000 0.418 162 Y N 4.014 124.098 120.300 -0.360 0.000 2.482 162 Y HA 0.609 5.159 4.550 -0.000 0.000 0.334 162 Y C -1.677 174.041 175.900 -0.303 0.000 1.091 162 Y CA -0.848 57.128 58.100 -0.207 0.000 1.027 162 Y CB 1.688 40.085 38.460 -0.105 0.000 1.306 162 Y HN 0.518 nan 8.280 nan 0.000 0.446 163 F N 5.341 125.143 119.950 -0.246 0.000 2.436 163 F HA 0.514 5.040 4.527 -0.001 0.000 0.340 163 F C -0.044 175.893 175.800 0.229 0.000 1.113 163 F CA -0.431 57.599 58.000 0.049 0.000 1.022 163 F CB 1.239 40.223 39.000 -0.028 0.000 1.128 163 F HN 0.461 nan 8.300 nan 0.000 0.466 164 H N 2.589 121.940 119.070 0.468 0.000 3.046 164 H HA 0.104 4.660 4.556 -0.001 0.000 0.363 164 H C 0.539 176.022 175.328 0.258 0.000 1.203 164 H CA -0.400 55.870 56.048 0.371 0.000 1.169 164 H CB 2.180 32.207 29.762 0.442 0.000 1.851 164 H HN 0.731 nan 8.280 nan 0.000 0.546 165 E N 2.737 122.877 120.200 -0.099 0.000 2.097 165 E HA -0.113 4.237 4.350 -0.001 0.000 0.196 165 E C 1.294 177.997 176.600 0.172 0.000 1.000 165 E CA 1.675 58.092 56.400 0.028 0.000 0.804 165 E CB -0.462 29.169 29.700 -0.114 0.000 0.740 165 E HN 0.853 nan 8.360 nan 0.000 0.454 166 G N -1.021 107.978 108.800 0.330 0.000 2.625 166 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.214 166 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.214 166 G C 0.639 175.448 174.900 -0.152 0.000 1.132 166 G CA 0.533 45.624 45.100 -0.014 0.000 0.782 166 G HN 0.285 nan 8.290 nan 0.000 0.538 167 Y N -0.982 119.436 120.300 0.197 0.000 2.467 167 Y HA 0.332 4.883 4.550 0.001 0.000 0.250 167 Y C 2.288 178.279 175.900 0.151 0.000 1.155 167 Y CA -0.976 57.202 58.100 0.130 0.000 1.249 167 Y CB 0.034 38.557 38.460 0.104 0.000 1.146 167 Y HN 0.059 nan 8.280 nan 0.000 0.524 168 R N 0.913 121.573 120.500 0.268 0.000 2.112 168 R HA -0.243 4.097 4.340 -0.001 0.000 0.242 168 R C 1.288 177.699 176.300 0.185 0.000 1.137 168 R CA 2.335 58.564 56.100 0.215 0.000 0.944 168 R CB 0.154 30.547 30.300 0.154 0.000 0.857 168 R HN 0.221 nan 8.270 nan 0.000 0.435 169 E N -0.120 120.172 120.200 0.154 0.000 2.122 169 E HA -0.003 4.347 4.350 -0.001 0.000 0.190 169 E C -0.307 176.378 176.600 0.142 0.000 0.977 169 E CA 0.865 57.345 56.400 0.133 0.000 0.820 169 E CB 0.199 29.963 29.700 0.107 0.000 0.770 169 E HN 0.328 nan 8.360 nan 0.000 0.462 170 N N 1.201 119.994 118.700 0.155 0.000 2.623 170 N HA 0.216 4.956 4.740 -0.001 0.000 0.256 170 N C -2.718 172.888 175.510 0.161 0.000 1.045 170 N CA -1.364 51.760 53.050 0.124 0.000 0.863 170 N CB 1.800 40.337 38.487 0.083 0.000 1.182 170 N HN -0.027 nan 8.380 nan 0.000 0.523 171 P HA 0.236 nan 4.420 nan 0.000 0.276 171 P C -0.784 176.462 177.300 -0.089 0.000 1.252 171 P CA -0.360 62.789 63.100 0.081 0.000 0.802 171 P CB 1.510 33.379 31.700 0.281 0.000 1.035 172 L N 0.516 121.542 121.223 -0.327 0.000 2.365 172 L HA 0.553 4.893 4.340 -0.001 0.000 0.273 172 L C -0.535 176.131 176.870 -0.340 0.000 1.000 172 L CA -1.113 53.546 54.840 -0.302 0.000 0.819 172 L CB 2.377 44.223 42.059 -0.355 0.000 1.284 172 L HN 0.069 nan 8.230 nan 0.000 0.418 173 V N 1.973 121.782 119.914 -0.174 0.000 2.445 173 V HA 0.383 4.503 4.120 -0.001 0.000 0.283 173 V C -0.891 175.164 176.094 -0.065 0.000 1.014 173 V CA -0.636 61.589 62.300 -0.126 0.000 0.852 173 V CB 1.579 33.386 31.823 -0.026 0.000 1.021 173 V HN 0.699 nan 8.190 nan 0.000 0.435 174 N N 2.707 121.354 118.700 -0.088 0.000 2.314 174 N HA 0.893 5.632 4.740 -0.001 0.000 0.304 174 N C -0.186 175.295 175.510 -0.048 0.000 1.073 174 N CA -0.176 52.846 53.050 -0.046 0.000 0.822 174 N CB 2.301 40.758 38.487 -0.050 0.000 1.280 174 N HN 0.853 nan 8.380 nan 0.000 0.489 178 L N 4.283 125.525 121.223 0.032 0.000 2.341 178 L HA 0.885 5.225 4.340 -0.001 0.000 0.278 178 L C 0.545 177.427 176.870 0.019 0.000 1.005 178 L CA 0.618 55.482 54.840 0.040 0.000 0.818 178 L CB 1.869 43.910 42.059 -0.030 0.000 1.259 178 L HN 0.982 nan 8.230 nan 0.000 0.418 179 G N 3.016 111.844 108.800 0.047 0.000 2.571 179 G HA2 0.654 4.613 3.960 -0.001 0.000 0.304 179 G HA3 0.654 4.613 3.960 -0.001 0.000 0.304 179 G C -1.802 173.126 174.900 0.048 0.000 1.314 179 G CA -0.537 44.579 45.100 0.027 0.000 0.975 179 G HN 0.508 nan 8.290 nan 0.000 0.485 180 L N 0.331 121.579 121.223 0.042 0.000 2.319 180 L HA 0.988 5.328 4.340 -0.001 0.000 0.267 180 L C -0.409 176.565 176.870 0.174 0.000 1.011 180 L CA -1.371 53.527 54.840 0.097 0.000 0.818 180 L CB 1.539 43.611 42.059 0.021 0.000 1.316 180 L HN 0.834 nan 8.230 nan 0.000 0.432 181 L N -1.214 120.172 121.223 0.271 0.000 2.838 181 L HA 0.695 5.034 4.340 -0.001 0.000 0.266 181 L C -0.963 176.026 176.870 0.198 0.000 1.040 181 L CA -1.154 53.834 54.840 0.247 0.000 0.906 181 L CB 1.728 43.878 42.059 0.151 0.000 1.501 181 L HN 0.592 nan 8.230 nan 0.000 0.407 182 R N 1.156 121.641 120.500 -0.026 0.000 2.308 182 R HA 0.202 4.542 4.340 -0.001 0.000 0.305 182 R C 0.657 176.825 176.300 -0.221 0.000 1.053 182 R CA -0.232 55.664 56.100 -0.340 0.000 0.957 182 R CB 1.428 31.349 30.300 -0.633 0.000 1.022 182 R HN 0.937 nan 8.270 nan 0.000 0.461 183 E N 2.886 122.978 120.200 -0.180 0.000 2.086 183 E HA -0.301 4.049 4.350 -0.001 0.000 0.200 183 E C 1.134 177.666 176.600 -0.114 0.000 1.012 183 E CA 2.226 58.567 56.400 -0.099 0.000 0.812 183 E CB 0.229 29.876 29.700 -0.087 0.000 0.743 183 E HN 0.702 nan 8.360 nan 0.000 0.453 184 E N -0.595 119.479 120.200 -0.211 0.000 2.284 184 E HA -0.262 4.088 4.350 -0.001 0.000 0.200 184 E C 1.063 177.631 176.600 -0.052 0.000 1.008 184 E CA 1.778 58.069 56.400 -0.182 0.000 0.829 184 E CB -0.544 28.978 29.700 -0.298 0.000 0.744 184 E HN 0.627 nan 8.360 nan 0.000 0.491 185 H N -0.124 118.915 119.070 -0.052 0.000 2.549 185 H HA 0.181 4.737 4.556 -0.001 0.000 0.279 185 H C -0.022 175.293 175.328 -0.022 0.000 1.018 185 H CA -1.010 55.017 56.048 -0.035 0.000 1.175 185 H CB 0.472 30.214 29.762 -0.034 0.000 1.485 185 H HN 0.052 nan 8.280 nan 0.000 0.543 186 L N 3.639 124.911 121.223 0.081 0.000 2.654 186 L HA 0.001 4.341 4.340 -0.001 0.000 0.271 186 L C 0.396 177.284 176.870 0.030 0.000 1.169 186 L CA 0.249 55.115 54.840 0.045 0.000 0.947 186 L CB -0.395 41.675 42.059 0.018 0.000 1.232 186 L HN 0.201 nan 8.230 nan 0.000 0.486 187 K N 5.715 126.129 120.400 0.023 0.000 2.281 187 K HA 0.829 5.148 4.320 -0.001 0.000 0.242 187 K C -0.506 176.092 176.600 -0.004 0.000 0.971 187 K CA -1.074 55.217 56.287 0.008 0.000 0.834 187 K CB 2.027 34.530 32.500 0.005 0.000 1.181 187 K HN 0.588 nan 8.250 nan 0.000 0.435 188 R N 0.205 120.699 120.500 -0.010 0.000 3.416 188 R HA 0.318 4.658 4.340 -0.001 0.000 0.236 188 R C -0.687 175.603 176.300 -0.017 0.000 1.576 188 R CA -0.957 55.132 56.100 -0.019 0.000 1.011 188 R CB -0.004 30.280 30.300 -0.026 0.000 1.670 188 R HN 0.541 nan 8.270 nan 0.000 0.519 189 S N 0.806 116.492 115.700 -0.023 0.000 2.912 189 S HA 0.364 4.833 4.470 -0.001 0.000 0.184 189 S C -0.758 173.833 174.600 -0.016 0.000 1.390 189 S CA -0.646 57.543 58.200 -0.019 0.000 1.088 189 S CB -0.441 62.744 63.200 -0.025 0.000 1.284 189 S HN 0.278 nan 8.310 nan 0.000 0.502 190 R N 1.318 121.812 120.500 -0.011 0.000 2.854 190 R HA 0.869 5.209 4.340 -0.001 0.000 0.271 190 R C -0.929 175.372 176.300 0.002 0.000 0.996 190 R CA -0.739 55.355 56.100 -0.009 0.000 0.961 190 R CB 1.759 32.051 30.300 -0.013 0.000 1.182 190 R HN 0.411 nan 8.270 nan 0.000 0.479 191 A N 0.563 123.385 122.820 0.004 0.000 2.517 191 A HA 0.494 4.814 4.320 -0.001 0.000 0.297 191 A C -0.552 177.041 177.584 0.014 0.000 1.050 191 A CA -0.633 51.414 52.037 0.016 0.000 0.694 191 A CB 1.381 20.397 19.000 0.027 0.000 1.277 191 A HN 0.742 nan 8.150 nan 0.000 0.400 192 S N 1.302 117.013 115.700 0.017 0.000 2.672 192 S HA 0.694 5.164 4.470 -0.001 0.000 0.276 192 S C 0.016 174.630 174.600 0.022 0.000 1.207 192 S CA -0.630 57.579 58.200 0.015 0.000 1.002 192 S CB 0.931 64.139 63.200 0.013 0.000 0.998 192 S HN 1.461 nan 8.310 nan 0.000 0.542 193 L N 1.715 122.949 121.223 0.019 0.000 2.453 193 L HA 0.509 4.848 4.340 -0.001 0.000 0.272 193 L C 1.230 178.117 176.870 0.028 0.000 1.182 193 L CA 1.935 56.789 54.840 0.024 0.000 0.858 193 L CB -0.314 41.756 42.059 0.019 0.000 1.120 193 L HN 1.280 nan 8.230 nan 0.000 0.474 194 G N 2.898 111.718 108.800 0.034 0.000 2.137 194 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.237 194 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.237 194 G C 0.177 175.104 174.900 0.044 0.000 1.002 194 G CA -0.046 45.076 45.100 0.036 0.000 0.702 194 G HN 0.604 nan 8.290 nan 0.000 0.515 195 R N 0.100 120.631 120.500 0.052 0.000 2.668 195 R HA 0.650 4.990 4.340 -0.001 0.000 0.279 195 R C -2.499 173.852 176.300 0.084 0.000 0.976 195 R CA -2.269 53.871 56.100 0.067 0.000 0.978 195 R CB 1.560 31.897 30.300 0.063 0.000 1.133 195 R HN 0.244 nan 8.270 nan 0.000 0.484 196 P HA 0.384 nan 4.420 nan 0.000 0.282 196 P C -0.558 176.838 177.300 0.161 0.000 1.259 196 P CA -0.490 62.675 63.100 0.108 0.000 0.826 196 P CB 1.188 32.954 31.700 0.111 0.000 1.064 197 I N 2.268 122.902 120.570 0.107 0.000 2.382 197 I HA 0.296 4.466 4.170 -0.001 0.000 0.286 197 I C 0.133 176.321 176.117 0.118 0.000 1.002 197 I CA -0.993 60.395 61.300 0.147 0.000 1.135 197 I CB 0.147 38.215 38.000 0.113 0.000 1.288 197 I HN 0.302 nan 8.210 nan 0.000 0.448 198 Y N 5.689 126.001 120.300 0.019 0.000 2.335 198 Y HA 0.339 4.888 4.550 -0.001 0.000 0.323 198 Y C -0.144 175.789 175.900 0.053 0.000 1.224 198 Y CA -0.152 57.952 58.100 0.006 0.000 1.241 198 Y CB 1.043 39.451 38.460 -0.087 0.000 1.235 198 Y HN 0.455 nan 8.280 nan 0.000 0.492 199 Y N 1.583 121.905 120.300 0.037 0.000 2.376 199 Y HA 0.777 5.327 4.550 -0.001 0.000 0.340 199 Y C -1.184 174.707 175.900 -0.015 0.000 0.965 199 Y CA -1.476 56.632 58.100 0.013 0.000 1.078 199 Y CB 0.972 39.438 38.460 0.010 0.000 1.193 199 Y HN 0.661 nan 8.280 nan 0.000 0.452 200 A N 3.531 126.349 122.820 -0.002 0.000 2.498 200 A HA 0.956 5.276 4.320 -0.001 0.000 0.298 200 A C 0.017 177.608 177.584 0.013 0.000 1.075 200 A CA -0.220 51.860 52.037 0.071 0.000 0.714 200 A CB 1.183 20.137 19.000 -0.077 0.000 1.299 200 A HN 1.995 nan 8.150 nan 0.000 0.407 201 G N -0.762 108.140 108.800 0.170 0.000 2.384 201 G HA2 0.498 4.457 3.960 -0.001 0.000 0.204 201 G HA3 0.498 4.457 3.960 -0.001 0.000 0.204 201 G C 0.359 175.366 174.900 0.178 0.000 1.237 201 G CA -0.027 45.148 45.100 0.126 0.000 1.060 201 G HN 2.366 nan 8.290 nan 0.000 0.514 202 A N 0.343 123.247 122.820 0.139 0.000 2.429 202 A HA 0.564 4.883 4.320 -0.001 0.000 0.242 202 A C 0.931 178.670 177.584 0.257 0.000 1.088 202 A CA 1.122 53.262 52.037 0.172 0.000 0.784 202 A CB 0.066 19.149 19.000 0.137 0.000 1.038 202 A HN 1.342 nan 8.150 nan 0.000 0.501 203 K N 0.805 121.340 120.400 0.225 0.000 2.154 203 K HA 0.319 4.639 4.320 -0.001 0.000 0.264 203 K C -0.587 176.143 176.600 0.217 0.000 1.008 203 K CA -0.242 56.186 56.287 0.236 0.000 0.937 203 K CB -0.163 32.416 32.500 0.132 0.000 1.002 203 K HN 0.432 nan 8.250 nan 0.000 0.469 204 T N 1.574 116.265 114.554 0.229 0.000 2.799 204 T HA 0.330 4.680 4.350 -0.001 0.000 0.296 204 T C 0.416 175.183 174.700 0.112 0.000 0.947 204 T CA -0.056 62.151 62.100 0.178 0.000 1.141 204 T CB 0.666 69.645 68.868 0.185 0.000 0.891 204 T HN 0.675 nan 8.240 nan 0.000 0.533 205 G N 2.067 110.926 108.800 0.099 0.000 3.108 205 G HA2 0.498 4.458 3.960 -0.001 0.000 0.268 205 G HA3 0.498 4.458 3.960 -0.001 0.000 0.268 205 G C -0.580 174.358 174.900 0.062 0.000 1.361 205 G CA -1.053 44.092 45.100 0.075 0.000 1.047 205 G HN 0.568 nan 8.290 nan 0.000 0.540 206 R N 1.074 121.604 120.500 0.050 0.000 3.701 206 R HA 0.229 4.569 4.340 -0.001 0.000 0.210 206 R C -1.072 175.254 176.300 0.044 0.000 1.598 206 R CA -0.211 55.913 56.100 0.040 0.000 1.427 206 R CB -0.004 30.314 30.300 0.030 0.000 1.339 206 R HN 0.298 nan 8.270 nan 0.000 0.720 207 D N 0.333 120.764 120.400 0.051 0.000 2.278 207 D HA 0.184 4.824 4.640 -0.001 0.000 0.245 207 D C 0.751 177.078 176.300 0.046 0.000 1.052 207 D CA -0.400 53.633 54.000 0.055 0.000 0.834 207 D CB 1.851 42.693 40.800 0.070 0.000 1.194 207 D HN 0.435 nan 8.370 nan 0.000 0.481 208 G N 2.106 110.931 108.800 0.042 0.000 2.424 208 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.294 208 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.294 208 G C 0.393 175.302 174.900 0.015 0.000 0.939 208 G CA 0.375 45.492 45.100 0.028 0.000 1.143 208 G HN 0.502 nan 8.290 nan 0.000 0.507 233 G N 0.577 109.577 108.800 0.334 0.000 2.420 233 G HA2 0.640 4.600 3.960 -0.001 0.000 0.331 233 G HA3 0.640 4.600 3.960 -0.001 0.000 0.331 233 G C -1.501 173.650 174.900 0.419 0.000 1.168 233 G CA -0.266 45.056 45.100 0.369 0.000 0.936 233 G HN 0.645 nan 8.290 nan 0.000 0.479 234 D N 1.848 122.427 120.400 0.298 0.000 2.477 234 D HA 0.310 4.950 4.640 -0.001 0.000 0.239 234 D C -1.121 175.117 176.300 -0.104 0.000 1.102 234 D CA -2.312 51.798 54.000 0.183 0.000 0.901 234 D CB 2.074 43.000 40.800 0.209 0.000 1.026 234 D HN 0.088 nan 8.370 nan 0.000 0.515 235 P HA -0.131 nan 4.420 nan 0.000 0.218 235 P C 1.395 178.253 177.300 -0.738 0.000 1.149 235 P CA 0.637 62.955 63.100 -1.304 0.000 0.817 235 P CB 0.080 30.546 31.700 -2.057 0.000 0.785 236 F N 0.086 119.876 119.950 -0.266 0.000 2.171 236 F HA -0.111 4.416 4.527 -0.000 0.000 0.300 236 F C 2.413 178.169 175.800 -0.073 0.000 1.090 236 F CA 0.997 58.920 58.000 -0.128 0.000 1.293 236 F CB -1.563 37.411 39.000 -0.045 0.000 1.013 236 F HN -0.129 nan 8.300 nan 0.000 0.486 237 L N 0.256 121.546 121.223 0.112 0.000 2.240 237 L HA 0.185 4.524 4.340 -0.001 0.000 0.211 237 L C 2.289 179.173 176.870 0.023 0.000 1.106 237 L CA 1.695 56.589 54.840 0.090 0.000 0.793 237 L CB -1.352 40.777 42.059 0.116 0.000 0.927 237 L HN 0.079 nan 8.230 nan 0.000 0.446 238 G N -0.354 108.422 108.800 -0.039 0.000 2.422 238 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.218 238 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.218 238 G C 1.645 176.488 174.900 -0.095 0.000 1.146 238 G CA 0.925 46.003 45.100 -0.038 0.000 0.769 238 G HN 0.394 nan 8.290 nan 0.000 0.547 239 K N -0.061 120.258 120.400 -0.136 0.000 2.026 239 K HA -0.008 4.312 4.320 -0.001 0.000 0.208 239 K C 2.316 178.813 176.600 -0.173 0.000 1.048 239 K CA 0.826 57.022 56.287 -0.153 0.000 0.929 239 K CB -0.571 31.859 32.500 -0.116 0.000 0.713 239 K HN 0.190 nan 8.250 nan 0.000 0.439 240 L N 0.793 121.966 121.223 -0.083 0.000 2.046 240 L HA 0.003 4.343 4.340 -0.001 0.000 0.208 240 L C 1.477 178.218 176.870 -0.215 0.000 1.077 240 L CA 1.234 56.030 54.840 -0.074 0.000 0.747 240 L CB -0.818 41.285 42.059 0.073 0.000 0.896 240 L HN 0.295 nan 8.230 nan 0.000 0.432 244 A N 1.284 123.386 122.820 -1.198 0.000 1.877 244 A HA -0.113 4.206 4.320 -0.001 0.000 0.216 244 A C 2.252 179.444 177.584 -0.652 0.000 1.186 244 A CA 2.468 53.880 52.037 -1.042 0.000 0.620 244 A CB -0.957 17.080 19.000 -1.604 0.000 0.822 244 A HN 0.225 nan 8.150 nan 0.000 0.443 245 T N 0.605 114.890 114.554 -0.447 0.000 2.708 245 T HA -0.107 4.243 4.350 -0.001 0.000 0.266 245 T C 1.820 176.441 174.700 -0.131 0.000 1.037 245 T CA 1.548 63.579 62.100 -0.116 0.000 1.146 245 T CB -0.403 68.439 68.868 -0.044 0.000 0.865 245 T HN 0.362 nan 8.240 nan 0.000 0.435 246 L N 0.530 121.631 121.223 -0.205 0.000 2.056 246 L HA -0.079 4.261 4.340 -0.001 0.000 0.207 246 L C 2.795 179.582 176.870 -0.139 0.000 1.078 246 L CA 1.467 56.214 54.840 -0.155 0.000 0.749 246 L CB -0.499 41.458 42.059 -0.171 0.000 0.901 246 L HN 0.358 nan 8.230 nan 0.000 0.433 247 E N 0.498 120.598 120.200 -0.168 0.000 2.047 247 E HA -0.237 4.113 4.350 -0.001 0.000 0.191 247 E C 2.251 178.817 176.600 -0.057 0.000 0.987 247 E CA 1.181 57.541 56.400 -0.067 0.000 0.799 247 E CB -0.024 29.705 29.700 0.047 0.000 0.752 247 E HN 0.406 nan 8.360 nan 0.000 0.449 248 A N 1.785 124.577 122.820 -0.047 0.000 1.903 248 A HA -0.235 4.084 4.320 -0.001 0.000 0.219 248 A C 2.315 179.873 177.584 -0.044 0.000 1.191 248 A CA 1.732 53.774 52.037 0.009 0.000 0.638 248 A CB -0.834 18.239 19.000 0.121 0.000 0.823 248 A HN 0.577 nan 8.150 nan 0.000 0.451 249 I N -0.869 119.656 120.570 -0.074 0.000 2.353 249 I HA -0.171 3.999 4.170 -0.001 0.000 0.248 249 I C 2.060 178.016 176.117 -0.269 0.000 1.119 249 I CA 1.682 62.912 61.300 -0.117 0.000 1.417 249 I CB -0.316 37.633 38.000 -0.085 0.000 1.078 249 I HN 0.438 nan 8.210 nan 0.000 0.421 250 E N 0.619 120.639 120.200 -0.300 0.000 2.265 250 E HA -0.142 4.208 4.350 -0.001 0.000 0.196 250 E C 1.817 178.175 176.600 -0.403 0.000 0.996 250 E CA 0.837 56.917 56.400 -0.534 0.000 0.832 250 E CB 0.051 29.614 29.700 -0.229 0.000 0.756 250 E HN 0.552 nan 8.360 nan 0.000 0.491 251 L N 0.224 121.327 121.223 -0.200 0.000 2.607 251 L HA 0.067 4.407 4.340 -0.001 0.000 0.228 251 L C 0.101 176.917 176.870 -0.091 0.000 1.123 251 L CA -0.133 54.645 54.840 -0.104 0.000 0.890 251 L CB -0.056 41.978 42.059 -0.041 0.000 1.103 251 L HN 0.078 nan 8.230 nan 0.000 0.468 252 D N 0.436 120.754 120.400 -0.136 0.000 2.689 252 D HA -0.220 4.419 4.640 -0.001 0.000 0.237 252 D C 0.689 176.964 176.300 -0.042 0.000 1.148 252 D CA 0.504 54.459 54.000 -0.075 0.000 0.656 252 D CB -0.839 39.942 40.800 -0.033 0.000 1.050 252 D HN 0.288 nan 8.370 nan 0.000 0.426 253 L N -0.958 120.240 121.223 -0.042 0.000 2.554 253 L HA 0.209 4.549 4.340 -0.001 0.000 0.225 253 L C 1.031 177.882 176.870 -0.032 0.000 1.104 253 L CA 0.173 54.995 54.840 -0.030 0.000 0.866 253 L CB 0.206 42.251 42.059 -0.022 0.000 1.047 253 L HN 0.254 nan 8.230 nan 0.000 0.468 254 V N -3.093 116.805 119.914 -0.026 0.000 3.001 254 V HA 0.379 4.499 4.120 -0.001 0.000 0.314 254 V C 0.354 176.442 176.094 -0.010 0.000 1.099 254 V CA -0.644 61.645 62.300 -0.019 0.000 0.989 254 V CB 1.889 33.706 31.823 -0.011 0.000 1.040 254 V HN 0.337 nan 8.190 nan 0.000 0.434 255 E N 1.706 121.905 120.200 -0.003 0.000 2.511 255 E HA 0.534 4.883 4.350 -0.001 0.000 0.209 255 E C 0.655 177.257 176.600 0.002 0.000 0.986 255 E CA 0.378 56.778 56.400 0.001 0.000 0.974 255 E CB 1.172 30.875 29.700 0.004 0.000 1.030 255 E HN 1.182 nan 8.360 nan 0.000 0.490 256 G N 0.660 109.464 108.800 0.005 0.000 2.761 256 G HA2 0.457 4.417 3.960 -0.001 0.000 0.296 256 G HA3 0.457 4.417 3.960 -0.001 0.000 0.296 256 G C -1.515 173.391 174.900 0.010 0.000 1.416 256 G CA -0.504 44.600 45.100 0.006 0.000 1.105 256 G HN 0.019 nan 8.290 nan 0.000 0.565 257 V N 2.233 122.150 119.914 0.005 0.000 2.638 257 V HA 0.691 4.811 4.120 -0.001 0.000 0.306 257 V C -0.843 175.250 176.094 -0.001 0.000 1.052 257 V CA -0.862 61.443 62.300 0.008 0.000 0.885 257 V CB 1.902 33.731 31.823 0.010 0.000 0.999 257 V HN 0.702 nan 8.190 nan 0.000 0.424 258 Q N 3.042 122.841 119.800 -0.002 0.000 2.331 258 Q HA 0.411 4.751 4.340 -0.001 0.000 0.272 258 Q C -1.236 174.754 176.000 -0.018 0.000 1.062 258 Q CA -0.550 55.245 55.803 -0.012 0.000 0.806 258 Q CB 2.964 31.694 28.738 -0.013 0.000 1.312 258 Q HN 1.013 nan 8.270 nan 0.000 0.431 262 A N -0.274 122.615 122.820 0.115 0.000 2.520 262 A HA 0.618 4.937 4.320 -0.001 0.000 0.245 262 A C 1.426 179.060 177.584 0.083 0.000 1.072 262 A CA 1.761 53.861 52.037 0.105 0.000 0.761 262 A CB -0.462 18.676 19.000 0.231 0.000 1.004 262 A HN 2.650 nan 8.150 nan 0.000 0.499 263 A N 1.922 124.773 122.820 0.052 0.000 3.028 263 A HA 0.142 4.462 4.320 -0.001 0.000 0.248 263 A C 2.273 179.876 177.584 0.031 0.000 1.316 263 A CA 1.411 53.471 52.037 0.039 0.000 1.003 263 A CB -2.095 16.928 19.000 0.039 0.000 1.148 263 A HN 3.109 nan 8.150 nan 0.000 0.828 264 G N -0.770 108.053 108.800 0.038 0.000 2.651 264 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.387 264 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.387 264 G C 1.166 176.087 174.900 0.035 0.000 1.291 264 G CA 1.470 46.594 45.100 0.041 0.000 0.958 264 G HN 1.339 nan 8.290 nan 0.000 0.549 265 L N 0.213 121.478 121.223 0.070 0.000 2.043 265 L HA -0.143 4.196 4.340 -0.001 0.000 0.212 265 L C 3.383 180.283 176.870 0.050 0.000 1.075 265 L CA 2.288 57.186 54.840 0.096 0.000 0.752 265 L CB -0.973 41.189 42.059 0.171 0.000 0.891 265 L HN 0.670 nan 8.230 nan 0.000 0.432 266 T N -0.719 113.865 114.554 0.049 0.000 2.652 266 T HA -0.212 4.137 4.350 -0.001 0.000 0.267 266 T C 2.072 176.605 174.700 -0.277 0.000 1.039 266 T CA 1.928 63.981 62.100 -0.079 0.000 1.153 266 T CB -0.336 68.545 68.868 0.021 0.000 0.863 266 T HN 0.574 nan 8.240 nan 0.000 0.428 267 S N 1.071 116.690 115.700 -0.134 0.000 2.428 267 S HA -0.026 4.444 4.470 -0.001 0.000 0.230 267 S C 2.295 176.820 174.600 -0.125 0.000 1.014 267 S CA 1.084 59.209 58.200 -0.125 0.000 0.957 267 S CB -0.462 62.715 63.200 -0.037 0.000 0.784 267 S HN 0.322 nan 8.310 nan 0.000 0.499 268 S N 2.375 118.019 115.700 -0.094 0.000 2.338 268 S HA 0.122 4.592 4.470 -0.001 0.000 0.218 268 S C 1.863 176.405 174.600 -0.096 0.000 1.032 268 S CA 1.491 59.651 58.200 -0.068 0.000 0.999 268 S CB -0.597 62.587 63.200 -0.028 0.000 0.905 268 S HN 0.482 nan 8.310 nan 0.000 0.439 269 L N 1.691 122.832 121.223 -0.137 0.000 2.005 269 L HA -0.092 4.248 4.340 -0.001 0.000 0.207 269 L C 2.843 179.561 176.870 -0.254 0.000 1.072 269 L CA 1.497 56.252 54.840 -0.140 0.000 0.744 269 L CB -1.078 40.958 42.059 -0.039 0.000 0.895 269 L HN 0.428 nan 8.230 nan 0.000 0.433 270 S N -0.465 114.907 115.700 -0.547 0.000 2.370 270 S HA -0.276 4.193 4.470 -0.001 0.000 0.226 270 S C 1.843 176.336 174.600 -0.177 0.000 1.033 270 S CA 1.575 59.498 58.200 -0.462 0.000 1.011 270 S CB -0.431 62.389 63.200 -0.634 0.000 0.852 270 S HN 0.467 nan 8.310 nan 0.000 0.457 271 E N 0.660 120.769 120.200 -0.151 0.000 2.017 271 E HA -0.140 4.210 4.350 -0.001 0.000 0.193 271 E C 2.113 178.708 176.600 -0.007 0.000 0.997 271 E CA 1.286 57.655 56.400 -0.052 0.000 0.804 271 E CB -0.283 29.380 29.700 -0.061 0.000 0.757 271 E HN 0.461 nan 8.360 nan 0.000 0.448 272 L N 0.970 122.173 121.223 -0.034 0.000 2.043 272 L HA -0.185 4.155 4.340 -0.001 0.000 0.212 272 L C 2.180 179.051 176.870 0.002 0.000 1.075 272 L CA 2.429 57.261 54.840 -0.014 0.000 0.752 272 L CB -0.854 41.198 42.059 -0.012 0.000 0.891 272 L HN 0.172 nan 8.230 nan 0.000 0.432 273 A N -1.534 121.289 122.820 0.004 0.000 1.902 273 A HA -0.284 4.036 4.320 -0.001 0.000 0.217 273 A C 2.302 179.917 177.584 0.052 0.000 1.181 273 A CA 1.721 53.776 52.037 0.030 0.000 0.623 273 A CB -1.048 17.975 19.000 0.039 0.000 0.818 273 A HN 0.727 nan 8.150 nan 0.000 0.443 274 H N 0.211 119.256 119.070 -0.041 0.000 2.321 274 H HA -0.019 4.536 4.556 -0.001 0.000 0.300 274 H C 1.831 177.142 175.328 -0.028 0.000 1.087 274 H CA 2.124 58.154 56.048 -0.031 0.000 1.319 274 H CB -0.076 29.661 29.762 -0.042 0.000 1.379 274 H HN 0.446 nan 8.280 nan 0.000 0.501 275 K N -0.430 119.934 120.400 -0.059 0.000 2.283 275 K HA -0.004 4.316 4.320 -0.001 0.000 0.202 275 K C 1.702 178.242 176.600 -0.101 0.000 1.048 275 K CA 1.165 57.386 56.287 -0.109 0.000 0.948 275 K CB 0.271 32.744 32.500 -0.046 0.000 0.742 275 K HN 0.162 nan 8.250 nan 0.000 0.458 276 S N -0.284 115.376 115.700 -0.067 0.000 2.575 276 S HA 0.100 4.569 4.470 -0.001 0.000 0.215 276 S C 1.110 175.678 174.600 -0.052 0.000 0.966 276 S CA 0.453 58.626 58.200 -0.046 0.000 0.911 276 S CB 0.731 63.922 63.200 -0.015 0.000 0.780 276 S HN 0.568 nan 8.310 nan 0.000 0.514 277 G N 1.322 110.070 108.800 -0.087 0.000 2.153 277 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.252 277 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.252 277 G C -0.154 174.732 174.900 -0.022 0.000 0.994 277 G CA 0.860 45.916 45.100 -0.074 0.000 0.698 277 G HN 0.525 nan 8.290 nan 0.000 0.521 278 L N -3.718 117.505 121.223 0.000 0.000 2.332 278 L HA 1.103 5.442 4.340 -0.001 0.000 0.242 278 L C 0.589 177.489 176.870 0.050 0.000 1.127 278 L CA -0.961 53.894 54.840 0.025 0.000 0.948 278 L CB 0.253 42.325 42.059 0.022 0.000 1.553 278 L HN 0.612 nan 8.230 nan 0.000 0.419 279 G N -1.312 107.524 108.800 0.059 0.000 2.644 279 G HA2 0.679 4.638 3.960 -0.001 0.000 0.307 279 G HA3 0.679 4.638 3.960 -0.001 0.000 0.307 279 G C -1.623 173.334 174.900 0.095 0.000 1.250 279 G CA -0.658 44.494 45.100 0.086 0.000 0.996 279 G HN 0.900 nan 8.290 nan 0.000 0.489 280 V N -0.612 119.389 119.914 0.146 0.000 2.686 280 V HA 0.645 4.765 4.120 -0.001 0.000 0.306 280 V C -0.939 175.237 176.094 0.138 0.000 1.065 280 V CA -0.840 61.551 62.300 0.152 0.000 0.894 280 V CB 1.714 33.647 31.823 0.183 0.000 1.004 280 V HN 0.844 nan 8.190 nan 0.000 0.424 281 E N 5.195 125.420 120.200 0.043 0.000 2.109 281 E HA 0.458 4.808 4.350 -0.001 0.000 0.278 281 E C -1.469 175.053 176.600 -0.129 0.000 0.954 281 E CA -0.773 55.572 56.400 -0.091 0.000 0.779 281 E CB 1.644 31.270 29.700 -0.123 0.000 1.093 281 E HN 0.663 nan 8.360 nan 0.000 0.401 282 L N 5.920 127.027 121.223 -0.194 0.000 2.282 282 L HA 0.272 4.612 4.340 -0.001 0.000 0.288 282 L C -1.122 175.615 176.870 -0.222 0.000 1.033 282 L CA -0.473 54.300 54.840 -0.112 0.000 0.807 282 L CB 1.157 43.209 42.059 -0.012 0.000 1.209 282 L HN 0.594 nan 8.230 nan 0.000 0.423 283 H N 7.368 126.437 119.070 -0.002 0.000 2.746 283 H HA 0.218 4.774 4.556 -0.001 0.000 0.269 283 H C 1.034 176.373 175.328 0.018 0.000 1.248 283 H CA -0.193 55.852 56.048 -0.006 0.000 1.258 283 H CB 1.065 30.809 29.762 -0.029 0.000 1.441 283 H HN 0.727 nan 8.280 nan 0.000 0.508 284 L N 0.970 122.278 121.223 0.141 0.000 2.187 284 L HA -0.188 4.152 4.340 -0.001 0.000 0.213 284 L C 1.516 178.489 176.870 0.172 0.000 1.100 284 L CA 0.949 55.890 54.840 0.170 0.000 0.765 284 L CB -0.007 42.196 42.059 0.239 0.000 0.904 284 L HN 0.443 nan 8.230 nan 0.000 0.437 285 D N -0.163 120.318 120.400 0.134 0.000 2.264 285 D HA -0.127 4.512 4.640 -0.001 0.000 0.208 285 D C 1.968 178.263 176.300 -0.009 0.000 0.966 285 D CA 0.967 54.986 54.000 0.031 0.000 0.864 285 D CB 0.175 40.938 40.800 -0.062 0.000 0.933 285 D HN 0.228 nan 8.370 nan 0.000 0.499 286 L N 0.443 121.660 121.223 -0.011 0.000 2.509 286 L HA 0.048 4.388 4.340 -0.001 0.000 0.222 286 L C 0.467 177.254 176.870 -0.138 0.000 1.123 286 L CA 0.293 55.088 54.840 -0.076 0.000 0.856 286 L CB -0.082 41.924 42.059 -0.088 0.000 0.985 286 L HN -0.236 nan 8.230 nan 0.000 0.456 287 V N 1.846 121.688 119.914 -0.121 0.000 2.479 287 V HA 0.107 4.226 4.120 -0.001 0.000 0.281 287 V C -1.854 174.082 176.094 -0.263 0.000 1.031 287 V CA -1.309 60.833 62.300 -0.264 0.000 1.038 287 V CB 0.175 31.936 31.823 -0.103 0.000 0.981 287 V HN 0.152 nan 8.190 nan 0.000 0.478 288 P HA 0.159 nan 4.420 nan 0.000 0.267 288 P C -0.103 177.148 177.300 -0.082 0.000 1.209 288 P CA 0.209 63.176 63.100 -0.222 0.000 0.763 288 P CB 0.256 31.812 31.700 -0.240 0.000 0.816 289 T N 0.092 114.636 114.554 -0.016 0.000 2.888 289 T HA 0.443 4.793 4.350 -0.001 0.000 0.284 289 T C 0.615 175.343 174.700 0.046 0.000 1.017 289 T CA -0.875 61.243 62.100 0.030 0.000 1.022 289 T CB 2.294 71.184 68.868 0.037 0.000 1.013 289 T HN 0.299 nan 8.240 nan 0.000 0.465 290 R N 0.022 120.558 120.500 0.061 0.000 2.307 290 R HA 0.244 4.583 4.340 -0.001 0.000 0.200 290 R C -0.063 176.269 176.300 0.052 0.000 0.893 290 R CA 0.124 56.261 56.100 0.062 0.000 1.042 290 R CB 0.533 30.879 30.300 0.076 0.000 1.059 290 R HN 0.800 nan 8.270 nan 0.000 0.530 291 E N 0.216 120.445 120.200 0.049 0.000 2.343 291 E HA 0.160 4.510 4.350 -0.001 0.000 0.270 291 E C -1.532 175.093 176.600 0.042 0.000 0.895 291 E CA -0.690 55.735 56.400 0.043 0.000 0.767 291 E CB 2.555 32.280 29.700 0.041 0.000 1.248 291 E HN 0.081 nan 8.360 nan 0.000 0.440 292 E N 0.666 120.889 120.200 0.038 0.000 2.349 292 E HA 0.408 4.757 4.350 -0.001 0.000 0.262 292 E C 0.289 176.915 176.600 0.043 0.000 1.088 292 E CA 0.258 56.681 56.400 0.040 0.000 0.899 292 E CB 0.798 30.518 29.700 0.032 0.000 1.044 292 E HN 0.702 nan 8.360 nan 0.000 0.420 296 P HA -0.183 nan 4.420 nan 0.000 0.214 296 P C 1.803 178.953 177.300 -0.251 0.000 1.163 296 P CA 1.860 64.631 63.100 -0.549 0.000 0.889 296 P CB 0.045 31.445 31.700 -0.499 0.000 0.790 297 E N 0.672 120.772 120.200 -0.166 0.000 2.118 297 E HA -0.247 4.102 4.350 -0.001 0.000 0.195 297 E C 1.724 178.288 176.600 -0.060 0.000 0.992 297 E CA 1.536 57.885 56.400 -0.085 0.000 0.804 297 E CB -1.134 28.532 29.700 -0.056 0.000 0.741 297 E HN 0.368 nan 8.360 nan 0.000 0.458 298 E N 0.808 120.965 120.200 -0.072 0.000 2.085 298 E HA -0.117 4.233 4.350 -0.001 0.000 0.194 298 E C 2.436 179.025 176.600 -0.018 0.000 0.994 298 E CA 1.291 57.669 56.400 -0.037 0.000 0.801 298 E CB -0.145 29.533 29.700 -0.037 0.000 0.743 298 E HN 0.273 nan 8.360 nan 0.000 0.453 299 L N 0.425 121.622 121.223 -0.043 0.000 2.027 299 L HA -0.179 4.161 4.340 -0.001 0.000 0.206 299 L C 2.464 179.353 176.870 0.032 0.000 1.074 299 L CA 0.824 55.664 54.840 -0.000 0.000 0.745 299 L CB -0.335 41.709 42.059 -0.024 0.000 0.898 299 L HN 0.150 nan 8.230 nan 0.000 0.433 300 L N -0.531 120.699 121.223 0.010 0.000 2.083 300 L HA -0.207 4.133 4.340 -0.001 0.000 0.209 300 L C 2.099 179.005 176.870 0.060 0.000 1.083 300 L CA 1.220 56.093 54.840 0.056 0.000 0.752 300 L CB -0.237 41.846 42.059 0.041 0.000 0.899 300 L HN 0.290 nan 8.230 nan 0.000 0.433 301 L N -1.572 119.671 121.223 0.033 0.000 2.640 301 L HA 0.124 4.464 4.340 -0.001 0.000 0.230 301 L C 1.253 178.143 176.870 0.034 0.000 1.123 301 L CA -0.346 54.513 54.840 0.032 0.000 0.900 301 L CB 0.108 42.178 42.059 0.018 0.000 1.146 301 L HN 0.088 nan 8.230 nan 0.000 0.484 302 S N 1.141 116.866 115.700 0.042 0.000 2.558 302 S HA -0.022 4.447 4.470 -0.001 0.000 0.288 302 S C 0.633 175.266 174.600 0.055 0.000 1.318 302 S CA 0.122 58.351 58.200 0.050 0.000 1.056 302 S CB 0.426 63.664 63.200 0.064 0.000 0.853 302 S HN 0.367 nan 8.310 nan 0.000 0.505 303 E N 2.597 122.829 120.200 0.053 0.000 3.167 303 E HA 0.180 4.530 4.350 -0.001 0.000 0.210 303 E C -0.555 176.084 176.600 0.065 0.000 1.004 303 E CA -0.278 56.155 56.400 0.055 0.000 1.256 303 E CB 0.767 30.495 29.700 0.046 0.000 1.193 303 E HN 0.491 nan 8.360 nan 0.000 0.448 304 S N 2.175 117.918 115.700 0.072 0.000 2.560 304 S HA 0.016 4.486 4.470 -0.001 0.000 0.284 304 S C 0.601 175.245 174.600 0.072 0.000 1.327 304 S CA -0.213 58.036 58.200 0.082 0.000 1.055 304 S CB 0.637 63.896 63.200 0.099 0.000 0.868 304 S HN 0.241 nan 8.310 nan 0.000 0.506 305 Q N 1.969 121.819 119.800 0.083 0.000 2.471 305 Q HA 0.062 4.401 4.340 -0.001 0.000 0.223 305 Q C 0.464 176.506 176.000 0.070 0.000 1.045 305 Q CA -0.149 55.699 55.803 0.075 0.000 0.956 305 Q CB 0.106 28.907 28.738 0.105 0.000 1.249 305 Q HN 0.823 nan 8.270 nan 0.000 0.549 306 E N -0.747 119.490 120.200 0.062 0.000 2.199 306 E HA -0.282 4.068 4.350 -0.001 0.000 0.208 306 E C -0.634 175.971 176.600 0.009 0.000 1.310 306 E CA 0.906 57.338 56.400 0.054 0.000 0.709 306 E CB -1.511 28.246 29.700 0.095 0.000 1.127 306 E HN 0.480 nan 8.360 nan 0.000 0.354 310 L N 4.767 126.020 121.223 0.050 0.000 2.431 310 L HA 0.790 5.129 4.340 -0.001 0.000 0.266 310 L C -0.514 176.402 176.870 0.077 0.000 0.978 310 L CA -0.634 54.230 54.840 0.040 0.000 0.822 310 L CB 2.265 44.318 42.059 -0.010 0.000 1.310 310 L HN 0.396 nan 8.230 nan 0.000 0.409 311 V N 3.652 123.595 119.914 0.049 0.000 2.293 311 V HA 0.425 4.545 4.120 -0.001 0.000 0.275 311 V C -2.122 173.982 176.094 0.016 0.000 1.021 311 V CA -1.443 60.895 62.300 0.065 0.000 0.815 311 V CB 1.269 33.124 31.823 0.053 0.000 1.025 311 V HN 0.568 nan 8.190 nan 0.000 0.448 312 P HA 0.232 nan 4.420 nan 0.000 0.275 312 P C -0.334 176.958 177.300 -0.013 0.000 1.228 312 P CA -0.374 62.685 63.100 -0.067 0.000 0.786 312 P CB 1.247 32.837 31.700 -0.184 0.000 0.927 313 K N 0.997 121.386 120.400 -0.018 0.000 2.187 313 K HA 0.053 4.373 4.320 -0.001 0.000 0.247 313 K C 0.631 177.233 176.600 0.004 0.000 1.019 313 K CA -0.291 55.995 56.287 -0.002 0.000 0.893 313 K CB 0.236 32.732 32.500 -0.006 0.000 1.025 313 K HN 0.489 nan 8.250 nan 0.000 0.500 314 E N 0.135 120.342 120.200 0.011 0.000 2.480 314 E HA -0.043 4.306 4.350 -0.001 0.000 0.258 314 E C 0.554 177.160 176.600 0.010 0.000 0.984 314 E CA 0.856 57.265 56.400 0.015 0.000 0.930 314 E CB -0.052 29.656 29.700 0.015 0.000 0.936 314 E HN 0.705 nan 8.360 nan 0.000 0.466 315 G N 4.438 113.246 108.800 0.014 0.000 2.179 315 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.260 315 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.260 315 G C 0.613 175.514 174.900 0.002 0.000 0.977 315 G CA 0.581 45.687 45.100 0.010 0.000 0.641 315 G HN 0.606 nan 8.290 nan 0.000 0.533 316 K N -0.203 120.192 120.400 -0.008 0.000 2.455 316 K HA 0.284 4.604 4.320 -0.001 0.000 0.206 316 K C 1.562 178.128 176.600 -0.056 0.000 1.027 316 K CA 0.214 56.486 56.287 -0.024 0.000 1.113 316 K CB 0.352 32.836 32.500 -0.028 0.000 0.850 316 K HN 0.293 nan 8.250 nan 0.000 0.503 317 E N 1.382 121.556 120.200 -0.044 0.000 2.038 317 E HA -0.192 4.158 4.350 -0.001 0.000 0.195 317 E C 1.632 178.180 176.600 -0.086 0.000 1.000 317 E CA 1.220 57.566 56.400 -0.089 0.000 0.803 317 E CB 0.079 29.817 29.700 0.063 0.000 0.750 317 E HN -0.025 nan 8.360 nan 0.000 0.448 318 K N 0.348 120.741 120.400 -0.011 0.000 2.044 318 K HA -0.106 4.214 4.320 -0.001 0.000 0.210 318 K C 2.103 178.701 176.600 -0.003 0.000 1.049 318 K CA 1.377 57.668 56.287 0.007 0.000 0.927 318 K CB -0.693 31.819 32.500 0.019 0.000 0.713 318 K HN 0.190 nan 8.250 nan 0.000 0.443 319 A N 1.446 124.260 122.820 -0.011 0.000 1.892 319 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 319 A C 2.236 179.827 177.584 0.011 0.000 1.188 319 A CA 1.787 53.825 52.037 0.002 0.000 0.631 319 A CB -0.763 18.234 19.000 -0.005 0.000 0.822 319 A HN 0.287 nan 8.150 nan 0.000 0.447 320 L N 0.308 121.504 121.223 -0.046 0.000 2.012 320 L HA -0.214 4.126 4.340 -0.001 0.000 0.210 320 L C 2.263 179.151 176.870 0.031 0.000 1.073 320 L CA 2.675 57.486 54.840 -0.048 0.000 0.748 320 L CB -0.769 41.118 42.059 -0.288 0.000 0.891 320 L HN 0.583 nan 8.230 nan 0.000 0.431 321 E N -0.562 119.613 120.200 -0.042 0.000 2.077 321 E HA -0.252 4.097 4.350 -0.001 0.000 0.193 321 E C 2.020 178.709 176.600 0.148 0.000 0.989 321 E CA 1.608 58.042 56.400 0.057 0.000 0.800 321 E CB -0.278 29.462 29.700 0.067 0.000 0.746 321 E HN 0.656 nan 8.360 nan 0.000 0.452 322 E N 0.725 120.988 120.200 0.105 0.000 2.077 322 E HA -0.155 4.195 4.350 -0.001 0.000 0.193 322 E C 2.304 178.987 176.600 0.137 0.000 0.989 322 E CA 1.047 57.506 56.400 0.099 0.000 0.800 322 E CB -0.047 29.686 29.700 0.056 0.000 0.746 322 E HN 0.048 nan 8.360 nan 0.000 0.452 323 V N 0.904 120.923 119.914 0.175 0.000 2.252 323 V HA -0.278 3.842 4.120 -0.001 0.000 0.249 323 V C 2.008 178.260 176.094 0.265 0.000 1.056 323 V CA 1.887 64.310 62.300 0.205 0.000 1.022 323 V CB -0.550 31.397 31.823 0.207 0.000 0.641 323 V HN 0.196 nan 8.190 nan 0.000 0.445 324 F N 1.184 121.224 119.950 0.149 0.000 2.234 324 F HA 0.016 4.542 4.527 -0.001 0.000 0.299 324 F C 2.335 178.235 175.800 0.168 0.000 1.087 324 F CA 1.235 59.345 58.000 0.182 0.000 1.340 324 F CB -1.240 37.835 39.000 0.125 0.000 1.031 324 F HN 0.189 nan 8.300 nan 0.000 0.500 325 G N -0.249 108.712 108.800 0.268 0.000 2.418 325 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.217 325 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.217 325 G C 1.880 176.823 174.900 0.071 0.000 1.158 325 G CA 0.400 45.592 45.100 0.154 0.000 0.771 325 G HN 0.220 nan 8.290 nan 0.000 0.545 326 R N -0.855 119.654 120.500 0.016 0.000 2.127 326 R HA -0.095 4.245 4.340 -0.001 0.000 0.238 326 R C 1.669 177.765 176.300 -0.340 0.000 1.134 326 R CA 1.180 57.171 56.100 -0.182 0.000 0.975 326 R CB -0.225 29.919 30.300 -0.261 0.000 0.865 326 R HN 0.542 nan 8.270 nan 0.000 0.447 327 W N -0.097 121.178 121.300 -0.043 0.000 3.325 327 W HA 0.261 4.921 4.660 -0.000 0.000 0.370 327 W C 0.904 177.417 176.519 -0.011 0.000 1.169 327 W CA 0.376 57.686 57.345 -0.059 0.000 1.874 327 W CB 0.387 29.758 29.460 -0.148 0.000 1.076 327 W HN 0.215 nan 8.180 nan 0.000 0.684 328 G N 1.037 109.922 108.800 0.142 0.000 2.179 328 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.257 328 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.257 328 G C -0.252 174.754 174.900 0.177 0.000 1.010 328 G CA -0.027 45.151 45.100 0.131 0.000 0.736 328 G HN 0.244 nan 8.290 nan 0.000 0.513 329 L N 0.211 121.579 121.223 0.241 0.000 2.342 329 L HA 0.502 4.842 4.340 -0.001 0.000 0.271 329 L C -0.454 176.612 176.870 0.327 0.000 1.008 329 L CA -1.247 53.773 54.840 0.302 0.000 0.818 329 L CB 1.520 43.819 42.059 0.399 0.000 1.296 329 L HN -0.018 nan 8.230 nan 0.000 0.427 330 D N 1.074 121.631 120.400 0.261 0.000 2.256 330 D HA 0.179 4.818 4.640 -0.001 0.000 0.250 330 D C -0.829 175.577 176.300 0.176 0.000 1.093 330 D CA -0.071 54.048 54.000 0.198 0.000 0.882 330 D CB 2.145 43.034 40.800 0.147 0.000 1.185 330 D HN 0.324 nan 8.370 nan 0.000 0.437 331 C N 3.427 122.792 119.300 0.108 0.000 2.455 331 C HA 0.453 4.913 4.460 -0.001 0.000 0.321 331 C C -0.525 174.590 174.990 0.209 0.000 1.102 331 C CA -0.462 58.556 59.018 -0.000 0.000 1.413 331 C CB -0.654 26.869 27.740 -0.361 0.000 1.952 331 C HN 0.460 nan 8.230 nan 0.000 0.428 332 V N 4.526 124.519 119.914 0.132 0.000 2.628 332 V HA 0.793 4.912 4.120 -0.001 0.000 0.306 332 V C -2.523 173.346 176.094 -0.375 0.000 1.045 332 V CA -2.238 60.024 62.300 -0.064 0.000 0.905 332 V CB 1.729 33.506 31.823 -0.078 0.000 0.997 332 V HN 0.699 nan 8.190 nan 0.000 0.436 333 P HA 0.159 nan 4.420 nan 0.000 0.267 333 P C 0.005 177.106 177.300 -0.332 0.000 1.205 333 P CA 0.272 62.863 63.100 -0.849 0.000 0.765 333 P CB 2.037 33.275 31.700 -0.770 0.000 0.828 334 V N 2.175 121.986 119.914 -0.171 0.000 3.497 334 V HA 0.405 4.525 4.120 -0.001 0.000 0.272 334 V C 0.512 176.656 176.094 0.084 0.000 1.474 334 V CA 1.008 63.289 62.300 -0.031 0.000 1.025 334 V CB 0.632 32.473 31.823 0.030 0.000 0.820 334 V HN 0.828 nan 8.190 nan 0.000 0.437 335 A N 0.743 123.612 122.820 0.082 0.000 2.557 335 A HA 0.942 5.261 4.320 -0.001 0.000 0.292 335 A C -1.042 176.610 177.584 0.115 0.000 1.139 335 A CA -0.703 51.423 52.037 0.148 0.000 0.665 335 A CB 1.502 20.580 19.000 0.130 0.000 1.285 335 A HN 0.321 nan 8.150 nan 0.000 0.433 336 R N -0.885 119.685 120.500 0.116 0.000 2.739 336 R HA 0.723 5.063 4.340 -0.001 0.000 0.271 336 R C -0.830 175.518 176.300 0.080 0.000 1.010 336 R CA -0.151 56.005 56.100 0.094 0.000 0.897 336 R CB 1.166 31.525 30.300 0.099 0.000 1.236 336 R HN 0.877 nan 8.270 nan 0.000 0.466 337 T N 0.129 114.725 114.554 0.070 0.000 2.889 337 T HA 0.595 4.944 4.350 -0.001 0.000 0.291 337 T C 0.707 175.437 174.700 0.051 0.000 0.995 337 T CA -0.729 61.407 62.100 0.060 0.000 1.092 337 T CB 0.585 69.484 68.868 0.051 0.000 0.954 337 T HN 0.601 nan 8.240 nan 0.000 0.506 338 I N -0.489 120.109 120.570 0.047 0.000 2.934 338 I HA 0.537 4.706 4.170 -0.001 0.000 0.306 338 I C -2.258 173.880 176.117 0.035 0.000 1.110 338 I CA -3.384 57.939 61.300 0.038 0.000 1.019 338 I CB 2.591 40.611 38.000 0.033 0.000 1.227 338 I HN 0.278 nan 8.210 nan 0.000 0.434 339 P HA -0.041 nan 4.420 nan 0.000 0.222 339 P C -0.023 177.293 177.300 0.028 0.000 1.153 339 P CA 1.002 64.116 63.100 0.025 0.000 0.798 339 P CB 0.065 31.777 31.700 0.020 0.000 0.796 340 E N 1.113 121.331 120.200 0.030 0.000 2.265 340 E HA 0.106 4.455 4.350 -0.001 0.000 0.272 340 E C 0.200 176.828 176.600 0.047 0.000 1.067 340 E CA 0.004 56.424 56.400 0.033 0.000 0.900 340 E CB -0.197 29.520 29.700 0.028 0.000 1.017 340 E HN 0.107 nan 8.360 nan 0.000 0.431 341 R N 2.662 123.193 120.500 0.051 0.000 3.572 341 R HA 0.118 4.457 4.340 -0.001 0.000 0.186 341 R C -0.629 175.723 176.300 0.087 0.000 1.727 341 R CA 0.045 56.188 56.100 0.071 0.000 1.267 341 R CB -0.556 29.787 30.300 0.072 0.000 1.318 341 R HN 0.216 nan 8.270 nan 0.000 0.718 342 V N 1.698 121.669 119.914 0.094 0.000 3.147 342 V HA 0.308 4.428 4.120 -0.001 0.000 0.306 342 V C -0.960 175.241 176.094 0.178 0.000 1.209 342 V CA -0.984 61.383 62.300 0.111 0.000 1.023 342 V CB 2.763 34.626 31.823 0.067 0.000 1.059 342 V HN 0.439 nan 8.190 nan 0.000 0.435 343 F N 3.802 123.742 119.950 -0.016 0.000 2.293 343 F HA 0.572 5.099 4.527 -0.000 0.000 0.370 343 F C 0.300 176.077 175.800 -0.038 0.000 1.090 343 F CA -0.524 57.457 58.000 -0.032 0.000 1.133 343 F CB 0.304 39.272 39.000 -0.054 0.000 1.360 343 F HN 0.419 nan 8.300 nan 0.000 0.489 344 R N 5.855 126.223 120.500 -0.219 0.000 2.229 344 R HA 0.556 4.895 4.340 -0.001 0.000 0.328 344 R C -1.713 174.304 176.300 -0.472 0.000 1.009 344 R CA -0.451 55.473 56.100 -0.293 0.000 0.864 344 R CB 1.425 31.633 30.300 -0.153 0.000 1.085 344 R HN 0.490 nan 8.270 nan 0.000 0.453 345 V N 6.940 126.574 119.914 -0.466 0.000 2.384 345 V HA 0.355 4.474 4.120 -0.001 0.000 0.287 345 V C -0.043 175.926 176.094 -0.208 0.000 1.020 345 V CA -0.731 61.323 62.300 -0.411 0.000 0.850 345 V CB 1.478 33.024 31.823 -0.462 0.000 0.987 345 V HN 0.673 nan 8.190 nan 0.000 0.436 346 L N 5.268 126.389 121.223 -0.170 0.000 2.325 346 L HA 0.677 5.016 4.340 -0.001 0.000 0.278 346 L C -0.859 176.073 176.870 0.103 0.000 1.023 346 L CA -0.402 54.401 54.840 -0.061 0.000 0.811 346 L CB 1.715 43.697 42.059 -0.128 0.000 1.249 346 L HN 0.636 nan 8.230 nan 0.000 0.431 347 F N 2.497 122.415 119.950 -0.054 0.000 2.588 347 F HA 0.393 4.920 4.527 -0.000 0.000 0.318 347 F C 0.069 175.859 175.800 -0.017 0.000 1.155 347 F CA -0.737 57.245 58.000 -0.029 0.000 0.967 347 F CB 1.135 40.113 39.000 -0.036 0.000 1.236 347 F HN 0.449 nan 8.300 nan 0.000 0.455 348 R N 4.376 124.469 120.500 -0.678 0.000 3.225 348 R HA -0.214 4.126 4.340 -0.001 0.000 0.245 348 R C 1.012 177.184 176.300 -0.214 0.000 0.928 348 R CA 1.038 56.824 56.100 -0.525 0.000 0.632 348 R CB -1.798 28.068 30.300 -0.723 0.000 1.038 348 R HN 1.493 nan 8.270 nan 0.000 0.461 349 G N -1.193 107.536 108.800 -0.119 0.000 2.212 349 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.266 349 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.266 349 G C 0.018 174.905 174.900 -0.023 0.000 0.978 349 G CA 0.797 45.866 45.100 -0.052 0.000 0.632 349 G HN 0.453 nan 8.290 nan 0.000 0.537 350 E N -0.558 119.637 120.200 -0.009 0.000 2.244 350 E HA 0.511 4.860 4.350 -0.001 0.000 0.266 350 E C -0.200 176.410 176.600 0.017 0.000 0.914 350 E CA -0.811 55.597 56.400 0.012 0.000 0.794 350 E CB 2.399 32.118 29.700 0.031 0.000 1.210 350 E HN 0.392 nan 8.360 nan 0.000 0.414 351 V N 3.368 123.279 119.914 -0.004 0.000 2.372 351 V HA 0.028 4.148 4.120 -0.001 0.000 0.261 351 V C 0.849 176.932 176.094 -0.019 0.000 1.055 351 V CA 0.025 62.307 62.300 -0.030 0.000 0.930 351 V CB 0.208 32.007 31.823 -0.040 0.000 1.031 351 V HN 0.549 nan 8.190 nan 0.000 0.479 352 V N 4.098 123.998 119.914 -0.023 0.000 3.608 352 V HA 0.766 4.886 4.120 -0.001 0.000 0.269 352 V C 0.609 176.666 176.094 -0.062 0.000 1.245 352 V CA 0.649 62.935 62.300 -0.023 0.000 1.138 352 V CB -0.639 31.178 31.823 -0.010 0.000 0.841 352 V HN 1.378 nan 8.190 nan 0.000 0.451 353 A N 0.349 123.110 122.820 -0.098 0.000 2.583 353 A HA 0.722 5.042 4.320 -0.001 0.000 0.298 353 A C -0.755 176.742 177.584 -0.146 0.000 1.055 353 A CA -0.022 51.948 52.037 -0.112 0.000 0.714 353 A CB 1.246 20.159 19.000 -0.145 0.000 1.277 353 A HN 0.415 nan 8.150 nan 0.000 0.406 354 E N 1.091 121.242 120.200 -0.082 0.000 2.829 354 E HA 0.450 4.799 4.350 -0.001 0.000 0.350 354 E C -1.226 175.378 176.600 0.007 0.000 1.119 354 E CA -0.410 55.953 56.400 -0.061 0.000 0.764 354 E CB 1.061 30.733 29.700 -0.047 0.000 1.576 354 E HN 1.465 nan 8.360 nan 0.000 0.379 355 V N 0.761 120.699 119.914 0.040 0.000 2.630 355 V HA 0.763 4.883 4.120 -0.001 0.000 0.305 355 V C -2.631 173.525 176.094 0.104 0.000 1.046 355 V CA -2.614 59.740 62.300 0.090 0.000 0.934 355 V CB 1.279 33.154 31.823 0.087 0.000 1.003 355 V HN 0.343 nan 8.190 nan 0.000 0.451 356 P HA 0.160 nan 4.420 nan 0.000 0.268 356 P C 1.237 178.594 177.300 0.095 0.000 1.205 356 P CA 0.560 63.723 63.100 0.105 0.000 0.771 356 P CB 0.746 32.509 31.700 0.106 0.000 0.858 357 T N -0.213 114.401 114.554 0.100 0.000 2.684 357 T HA -0.262 4.088 4.350 -0.001 0.000 0.267 357 T C 1.552 176.240 174.700 -0.020 0.000 1.036 357 T CA 1.391 63.528 62.100 0.062 0.000 1.148 357 T CB -0.933 68.020 68.868 0.142 0.000 0.863 357 T HN 0.455 nan 8.240 nan 0.000 0.436 358 E N 1.711 121.951 120.200 0.067 0.000 2.097 358 E HA -0.193 4.157 4.350 -0.001 0.000 0.196 358 E C 2.478 179.095 176.600 0.028 0.000 1.000 358 E CA 1.287 57.689 56.400 0.003 0.000 0.804 358 E CB -0.523 29.268 29.700 0.152 0.000 0.740 358 E HN 0.672 nan 8.360 nan 0.000 0.454 359 A N 0.587 123.489 122.820 0.137 0.000 1.978 359 A HA -0.163 4.157 4.320 -0.001 0.000 0.220 359 A C 2.037 179.861 177.584 0.401 0.000 1.170 359 A CA 1.064 53.289 52.037 0.313 0.000 0.636 359 A CB -0.332 18.873 19.000 0.342 0.000 0.810 359 A HN 0.317 nan 8.150 nan 0.000 0.448 360 L N -1.566 119.705 121.223 0.079 0.000 2.249 360 L HA 0.236 4.575 4.340 -0.001 0.000 0.207 360 L C 2.564 179.457 176.870 0.038 0.000 1.090 360 L CA 1.616 56.419 54.840 -0.061 0.000 0.802 360 L CB -0.477 41.419 42.059 -0.272 0.000 0.947 360 L HN 0.332 nan 8.230 nan 0.000 0.453 361 A N -1.705 121.033 122.820 -0.136 0.000 2.095 361 A HA 0.118 4.438 4.320 -0.001 0.000 0.212 361 A C 0.899 178.373 177.584 -0.183 0.000 1.162 361 A CA 0.111 52.004 52.037 -0.240 0.000 0.753 361 A CB -0.095 18.548 19.000 -0.595 0.000 0.840 361 A HN 0.373 nan 8.150 nan 0.000 0.468 362 E N 0.894 121.018 120.200 -0.127 0.000 2.561 362 E HA 0.503 4.853 4.350 -0.001 0.000 0.225 362 E C -0.361 176.144 176.600 -0.159 0.000 1.035 362 E CA -0.494 55.842 56.400 -0.107 0.000 0.904 362 E CB 0.949 30.618 29.700 -0.052 0.000 1.291 362 E HN 0.472 nan 8.360 nan 0.000 0.444 363 A N 3.051 125.640 122.820 -0.384 0.000 2.304 363 A HA 0.465 4.785 4.320 -0.001 0.000 0.271 363 A C -2.220 174.924 177.584 -0.733 0.000 1.091 363 A CA -1.282 50.159 52.037 -0.993 0.000 0.812 363 A CB 0.051 18.231 19.000 -1.367 0.000 1.056 363 A HN 0.217 nan 8.150 nan 0.000 0.489 364 P HA 0.231 nan 4.420 nan 0.000 0.269 364 P C -0.070 176.785 177.300 -0.741 0.000 1.209 364 P CA 0.244 62.965 63.100 -0.631 0.000 0.776 364 P CB 0.586 31.955 31.700 -0.553 0.000 0.876 365 T N -0.594 113.584 114.554 -0.627 0.000 2.932 365 T HA 0.674 5.023 4.350 -0.001 0.000 0.289 365 T C -1.082 173.251 174.700 -0.613 0.000 1.039 365 T CA -0.601 61.163 62.100 -0.559 0.000 1.024 365 T CB 0.769 69.495 68.868 -0.236 0.000 1.090 365 T HN 0.143 nan 8.240 nan 0.000 0.496 366 Y N -0.434 119.865 120.300 -0.002 0.000 2.499 366 Y HA 0.676 5.225 4.550 -0.001 0.000 0.347 366 Y C -0.402 175.501 175.900 0.005 0.000 0.987 366 Y CA -1.387 56.709 58.100 -0.008 0.000 1.044 366 Y CB 2.083 40.534 38.460 -0.014 0.000 1.245 366 Y HN 0.583 nan 8.280 nan 0.000 0.461 367 V N 3.772 123.764 119.914 0.129 0.000 2.604 367 V HA 0.645 4.765 4.120 -0.001 0.000 0.305 367 V C -0.317 175.670 176.094 -0.178 0.000 1.043 367 V CA -0.933 61.382 62.300 0.025 0.000 0.888 367 V CB 1.925 33.781 31.823 0.055 0.000 0.995 367 V HN 0.766 nan 8.190 nan 0.000 0.429 368 R N 1.910 122.067 120.500 -0.572 0.000 3.018 368 R HA 0.827 5.166 4.340 -0.001 0.000 0.243 368 R C -1.175 174.856 176.300 -0.449 0.000 1.315 368 R CA -0.828 54.881 56.100 -0.651 0.000 1.039 368 R CB 2.217 31.908 30.300 -1.016 0.000 1.315 368 R HN 0.590 nan 8.270 nan 0.000 0.492 369 V N -0.545 119.220 119.914 -0.248 0.000 2.334 369 V HA 0.699 4.819 4.120 -0.001 0.000 0.281 369 V C 0.202 176.331 176.094 0.057 0.000 1.016 369 V CA -0.782 61.498 62.300 -0.034 0.000 0.832 369 V CB 1.002 32.814 31.823 -0.018 0.000 0.999 369 V HN 0.785 nan 8.190 nan 0.000 0.439 370 G N 3.776 112.729 108.800 0.255 0.000 2.507 370 G HA2 0.641 4.601 3.960 -0.001 0.000 0.271 370 G HA3 0.641 4.601 3.960 -0.001 0.000 0.271 370 G C -0.475 174.531 174.900 0.177 0.000 1.189 370 G CA -0.829 44.470 45.100 0.330 0.000 0.859 370 G HN 0.970 nan 8.290 nan 0.000 0.542 371 R N 0.400 120.939 120.500 0.065 0.000 2.523 371 R HA 0.162 4.502 4.340 -0.001 0.000 0.278 371 R C -0.730 175.365 176.300 -0.341 0.000 1.150 371 R CA -0.609 55.407 56.100 -0.141 0.000 0.987 371 R CB 1.716 31.978 30.300 -0.063 0.000 1.232 371 R HN 0.722 nan 8.270 nan 0.000 0.424 372 E N 2.589 122.348 120.200 -0.735 0.000 2.414 372 E HA -0.095 4.255 4.350 -0.001 0.000 0.263 372 E C -0.664 175.807 176.600 -0.215 0.000 1.000 372 E CA -0.110 55.923 56.400 -0.612 0.000 0.914 372 E CB 0.678 30.040 29.700 -0.564 0.000 0.948 372 E HN 0.395 nan 8.360 nan 0.000 0.444 373 D N 6.192 126.529 120.400 -0.104 0.000 2.412 373 D HA -0.022 4.617 4.640 -0.001 0.000 0.257 373 D C -1.484 174.789 176.300 -0.044 0.000 1.217 373 D CA -1.865 52.108 54.000 -0.045 0.000 0.897 373 D CB 1.161 41.956 40.800 -0.008 0.000 1.132 373 D HN 0.296 nan 8.370 nan 0.000 0.493 374 P HA -0.172 nan 4.420 nan 0.000 0.218 374 P C 0.711 178.005 177.300 -0.010 0.000 1.146 374 P CA 0.933 64.017 63.100 -0.028 0.000 0.813 374 P CB 0.490 32.177 31.700 -0.023 0.000 0.778 375 E N -0.248 119.951 120.200 -0.002 0.000 2.152 375 E HA -0.045 4.305 4.350 -0.001 0.000 0.192 375 E C 2.230 178.843 176.600 0.022 0.000 0.983 375 E CA 0.540 56.947 56.400 0.011 0.000 0.818 375 E CB -0.953 28.756 29.700 0.015 0.000 0.758 375 E HN 0.164 nan 8.360 nan 0.000 0.467 376 V N 1.411 121.334 119.914 0.016 0.000 2.307 376 V HA -0.223 3.897 4.120 -0.001 0.000 0.245 376 V C 2.615 178.725 176.094 0.026 0.000 1.045 376 V CA 1.876 64.191 62.300 0.025 0.000 1.024 376 V CB -0.463 31.369 31.823 0.015 0.000 0.651 376 V HN 0.177 nan 8.190 nan 0.000 0.449 377 R N 0.034 120.538 120.500 0.006 0.000 2.073 377 R HA -0.189 4.150 4.340 -0.001 0.000 0.234 377 R C 2.565 178.886 176.300 0.035 0.000 1.134 377 R CA 1.886 57.992 56.100 0.010 0.000 0.952 377 R CB -0.327 29.966 30.300 -0.012 0.000 0.850 377 R HN 0.393 nan 8.270 nan 0.000 0.433 378 R N 0.526 121.043 120.500 0.027 0.000 2.096 378 R HA -0.179 4.160 4.340 -0.001 0.000 0.240 378 R C 2.328 178.662 176.300 0.056 0.000 1.139 378 R CA 1.946 58.065 56.100 0.032 0.000 0.952 378 R CB -0.401 29.910 30.300 0.017 0.000 0.854 378 R HN 0.287 nan 8.270 nan 0.000 0.436 379 L N -0.074 121.193 121.223 0.073 0.000 2.017 379 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 379 L C 2.923 179.902 176.870 0.182 0.000 1.073 379 L CA 1.623 56.540 54.840 0.128 0.000 0.745 379 L CB -0.505 41.637 42.059 0.138 0.000 0.894 379 L HN 0.284 nan 8.230 nan 0.000 0.432 380 R N 0.590 121.172 120.500 0.137 0.000 2.105 380 R HA -0.182 4.157 4.340 -0.001 0.000 0.239 380 R C 1.779 178.185 176.300 0.177 0.000 1.135 380 R CA 1.612 57.801 56.100 0.148 0.000 0.967 380 R CB -0.040 30.324 30.300 0.107 0.000 0.861 380 R HN 0.429 nan 8.270 nan 0.000 0.442 381 E N -0.173 120.109 120.200 0.137 0.000 2.489 381 E HA 0.012 4.362 4.350 -0.001 0.000 0.193 381 E C -0.331 176.343 176.600 0.123 0.000 1.057 381 E CA 0.129 56.601 56.400 0.120 0.000 0.866 381 E CB 0.470 30.216 29.700 0.077 0.000 0.916 381 E HN 0.215 nan 8.360 nan 0.000 0.500 382 T N 3.670 118.318 114.554 0.156 0.000 2.853 382 T HA 0.109 4.459 4.350 -0.001 0.000 0.298 382 T C -2.308 172.532 174.700 0.234 0.000 0.978 382 T CA -1.171 61.014 62.100 0.143 0.000 1.152 382 T CB 0.677 69.592 68.868 0.078 0.000 0.914 382 T HN -0.050 nan 8.240 nan 0.000 0.539 383 P HA 0.164 nan 4.420 nan 0.000 0.268 383 P C 0.056 177.527 177.300 0.286 0.000 1.205 383 P CA -0.517 62.687 63.100 0.174 0.000 0.771 383 P CB 0.163 31.926 31.700 0.104 0.000 0.858 384 I N 1.576 122.299 120.570 0.255 0.000 2.452 384 I HA 0.371 4.541 4.170 -0.001 0.000 0.287 384 I C -1.864 174.383 176.117 0.216 0.000 1.079 384 I CA -2.210 59.266 61.300 0.293 0.000 1.387 384 I CB 0.154 38.220 38.000 0.110 0.000 1.404 384 I HN 0.187 nan 8.210 nan 0.000 0.522 385 P HA 0.380 nan 4.420 nan 0.000 0.274 385 P C -2.629 174.742 177.300 0.118 0.000 1.237 385 P CA -1.444 61.746 63.100 0.151 0.000 0.793 385 P CB -0.104 31.682 31.700 0.144 0.000 0.977 386 P HA 0.222 nan 4.420 nan 0.000 0.267 386 P C -0.610 176.735 177.300 0.074 0.000 1.209 386 P CA 0.541 63.684 63.100 0.071 0.000 0.763 386 P CB 0.274 32.008 31.700 0.056 0.000 0.816 387 L N 3.037 124.305 121.223 0.076 0.000 2.354 387 L HA 0.570 4.909 4.340 -0.001 0.000 0.269 387 L C 0.326 177.239 176.870 0.071 0.000 1.005 387 L CA -0.619 54.266 54.840 0.074 0.000 0.819 387 L CB 2.268 44.376 42.059 0.081 0.000 1.311 387 L HN 0.278 nan 8.230 nan 0.000 0.423 388 E N 1.283 121.522 120.200 0.064 0.000 2.308 388 E HA 0.809 5.158 4.350 -0.001 0.000 0.275 388 E C -1.457 175.180 176.600 0.061 0.000 0.890 388 E CA -0.681 55.759 56.400 0.066 0.000 0.754 388 E CB 2.920 32.653 29.700 0.054 0.000 1.207 388 E HN 0.680 nan 8.360 nan 0.000 0.426 389 A N 2.089 124.955 122.820 0.076 0.000 2.601 389 A HA 0.382 4.702 4.320 -0.001 0.000 0.291 389 A C -1.763 175.878 177.584 0.094 0.000 1.075 389 A CA -0.854 51.222 52.037 0.066 0.000 0.671 389 A CB 1.618 20.642 19.000 0.040 0.000 1.277 389 A HN 0.604 nan 8.150 nan 0.000 0.417 390 D N 1.896 122.345 120.400 0.082 0.000 2.344 390 D HA 0.320 4.959 4.640 -0.001 0.000 0.253 390 D C -1.065 175.337 176.300 0.170 0.000 1.255 390 D CA -1.691 52.371 54.000 0.104 0.000 0.894 390 D CB 0.968 41.812 40.800 0.074 0.000 1.067 390 D HN 0.160 nan 8.370 nan 0.000 0.492 391 P HA -0.192 nan 4.420 nan 0.000 0.221 391 P C 1.149 178.790 177.300 0.567 0.000 1.145 391 P CA 0.750 64.143 63.100 0.488 0.000 0.795 391 P CB 0.455 32.465 31.700 0.516 0.000 0.775 392 Q N 0.130 120.132 119.800 0.336 0.000 2.084 392 Q HA -0.158 4.182 4.340 -0.001 0.000 0.202 392 Q C 2.099 178.397 176.000 0.497 0.000 0.978 392 Q CA 1.329 57.315 55.803 0.306 0.000 0.844 392 Q CB -0.353 28.382 28.738 -0.006 0.000 0.898 392 Q HN 0.458 nan 8.270 nan 0.000 0.426 393 E N -0.334 120.034 120.200 0.280 0.000 2.340 393 E HA -0.019 4.331 4.350 -0.001 0.000 0.194 393 E C 1.982 178.654 176.600 0.121 0.000 0.996 393 E CA 0.016 56.537 56.400 0.201 0.000 0.869 393 E CB 0.563 30.330 29.700 0.111 0.000 0.835 393 E HN 0.059 nan 8.360 nan 0.000 0.493 394 V N 1.669 121.623 119.914 0.067 0.000 2.343 394 V HA -0.259 3.861 4.120 -0.001 0.000 0.247 394 V C 2.463 178.429 176.094 -0.213 0.000 1.051 394 V CA 1.410 63.600 62.300 -0.183 0.000 1.036 394 V CB -0.417 31.102 31.823 -0.506 0.000 0.654 394 V HN 0.268 nan 8.190 nan 0.000 0.451 395 L N 0.234 121.455 121.223 -0.002 0.000 2.046 395 L HA -0.136 4.204 4.340 -0.001 0.000 0.208 395 L C 2.557 179.405 176.870 -0.036 0.000 1.077 395 L CA 1.903 56.741 54.840 -0.003 0.000 0.747 395 L CB -0.704 41.253 42.059 -0.169 0.000 0.896 395 L HN 0.182 nan 8.230 nan 0.000 0.432 396 R N -0.699 119.825 120.500 0.041 0.000 2.081 396 R HA -0.110 4.230 4.340 -0.001 0.000 0.235 396 R C 2.340 178.674 176.300 0.057 0.000 1.131 396 R CA 1.595 57.738 56.100 0.071 0.000 0.960 396 R CB -0.339 30.052 30.300 0.152 0.000 0.856 396 R HN 0.402 nan 8.270 nan 0.000 0.436 397 R N 0.435 120.952 120.500 0.030 0.000 2.115 397 R HA -0.031 4.308 4.340 -0.001 0.000 0.230 397 R C 2.303 178.610 176.300 0.012 0.000 1.111 397 R CA 0.920 57.026 56.100 0.011 0.000 0.976 397 R CB -0.207 30.083 30.300 -0.017 0.000 0.870 397 R HN 0.192 nan 8.270 nan 0.000 0.445 398 L N 0.319 121.539 121.223 -0.006 0.000 2.072 398 L HA -0.136 4.204 4.340 -0.001 0.000 0.205 398 L C 2.197 179.127 176.870 0.101 0.000 1.079 398 L CA 1.042 55.899 54.840 0.029 0.000 0.752 398 L CB -0.253 41.805 42.059 -0.001 0.000 0.906 398 L HN 0.197 nan 8.230 nan 0.000 0.436 399 L N -0.408 120.890 121.223 0.125 0.000 2.131 399 L HA -0.170 4.170 4.340 -0.001 0.000 0.210 399 L C 2.539 179.533 176.870 0.207 0.000 1.092 399 L CA 1.035 56.023 54.840 0.247 0.000 0.759 399 L CB -0.536 41.674 42.059 0.251 0.000 0.903 399 L HN 0.227 nan 8.230 nan 0.000 0.435 400 A N -1.228 121.658 122.820 0.110 0.000 2.238 400 A HA -0.014 4.306 4.320 -0.001 0.000 0.208 400 A C 1.338 178.932 177.584 0.016 0.000 1.177 400 A CA 0.247 52.314 52.037 0.050 0.000 0.804 400 A CB -0.250 18.770 19.000 0.033 0.000 0.823 400 A HN 0.281 nan 8.150 nan 0.000 0.482 401 S N 0.367 116.091 115.700 0.041 0.000 2.510 401 S HA 0.271 4.741 4.470 -0.001 0.000 0.279 401 S C -1.541 173.049 174.600 -0.017 0.000 1.284 401 S CA -1.145 57.067 58.200 0.021 0.000 1.059 401 S CB 0.766 64.004 63.200 0.063 0.000 0.901 401 S HN 0.131 nan 8.310 nan 0.000 0.491 402 P HA -0.053 nan 4.420 nan 0.000 0.222 402 P C 0.284 177.580 177.300 -0.007 0.000 1.142 402 P CA 1.249 64.265 63.100 -0.141 0.000 0.788 402 P CB -0.042 31.415 31.700 -0.404 0.000 0.767 403 N N -1.728 116.943 118.700 -0.047 0.000 2.373 403 N HA 0.115 4.855 4.740 -0.001 0.000 0.181 403 N C 1.091 176.629 175.510 0.046 0.000 1.082 403 N CA 0.258 53.239 53.050 -0.114 0.000 0.885 403 N CB 0.058 38.264 38.487 -0.468 0.000 0.977 403 N HN 0.140 nan 8.380 nan 0.000 0.462 404 L N -0.721 120.556 121.223 0.092 0.000 2.840 404 L HA 0.423 4.763 4.340 -0.001 0.000 0.249 404 L C 0.713 177.736 176.870 0.255 0.000 1.119 404 L CA -0.335 54.620 54.840 0.191 0.000 0.930 404 L CB 0.111 42.290 42.059 0.200 0.000 1.295 404 L HN -0.033 nan 8.230 nan 0.000 0.534 405 A N 0.357 123.222 122.820 0.076 0.000 2.366 405 A HA 0.285 4.605 4.320 -0.001 0.000 0.250 405 A C 0.616 177.878 177.584 -0.538 0.000 1.099 405 A CA 0.053 51.959 52.037 -0.218 0.000 0.794 405 A CB 0.326 19.193 19.000 -0.222 0.000 1.056 405 A HN 0.103 nan 8.150 nan 0.000 0.499 406 S N -0.396 114.459 115.700 -1.409 0.000 2.552 406 S HA 0.078 4.547 4.470 -0.001 0.000 0.289 406 S C 0.901 175.212 174.600 -0.482 0.000 1.304 406 S CA -0.292 57.154 58.200 -1.255 0.000 1.063 406 S CB 0.073 62.143 63.200 -1.883 0.000 0.848 406 S HN 0.542 nan 8.310 nan 0.000 0.499 407 R N 3.371 123.754 120.500 -0.194 0.000 2.388 407 R HA 0.125 4.465 4.340 -0.001 0.000 0.247 407 R C 1.468 177.750 176.300 -0.030 0.000 0.931 407 R CA -0.029 56.047 56.100 -0.041 0.000 1.082 407 R CB -0.426 29.986 30.300 0.186 0.000 1.135 407 R HN 0.779 nan 8.270 nan 0.000 0.525 408 E N 1.834 121.967 120.200 -0.112 0.000 2.114 408 E HA -0.214 4.136 4.350 -0.001 0.000 0.199 408 E C 1.710 178.247 176.600 -0.105 0.000 1.008 408 E CA 1.813 58.170 56.400 -0.071 0.000 0.810 408 E CB 0.047 29.649 29.700 -0.162 0.000 0.739 408 E HN 0.381 nan 8.360 nan 0.000 0.456 409 A N -0.085 122.639 122.820 -0.160 0.000 2.125 409 A HA -0.096 4.224 4.320 -0.001 0.000 0.219 409 A C 2.203 179.647 177.584 -0.233 0.000 1.156 409 A CA 1.045 52.981 52.037 -0.168 0.000 0.671 409 A CB -0.146 18.763 19.000 -0.153 0.000 0.794 409 A HN 0.199 nan 8.150 nan 0.000 0.459 410 V N -1.775 117.959 119.914 -0.300 0.000 2.283 410 V HA -0.172 3.948 4.120 -0.001 0.000 0.239 410 V C 2.138 177.768 176.094 -0.774 0.000 1.035 410 V CA 1.518 63.512 62.300 -0.510 0.000 1.018 410 V CB -1.042 30.427 31.823 -0.589 0.000 0.658 410 V HN 0.629 nan 8.190 nan 0.000 0.459 411 Y N 0.693 120.843 120.300 -0.250 0.000 2.569 411 Y HA -0.106 4.444 4.550 -0.001 0.000 0.293 411 Y C 2.376 178.125 175.900 -0.251 0.000 1.144 411 Y CA 0.855 58.835 58.100 -0.201 0.000 1.321 411 Y CB -0.563 37.919 38.460 0.036 0.000 0.982 411 Y HN 0.381 nan 8.280 nan 0.000 0.558 412 E N -0.392 119.703 120.200 -0.174 0.000 2.418 412 E HA -0.107 4.243 4.350 -0.001 0.000 0.197 412 E C 1.884 178.365 176.600 -0.197 0.000 1.026 412 E CA 0.110 56.434 56.400 -0.127 0.000 0.862 412 E CB 0.146 29.781 29.700 -0.108 0.000 0.799 412 E HN 0.288 nan 8.360 nan 0.000 0.518 413 R N -0.084 120.162 120.500 -0.423 0.000 2.193 413 R HA 0.007 4.347 4.340 -0.001 0.000 0.213 413 R C 0.036 176.210 176.300 -0.209 0.000 1.055 413 R CA 0.580 56.449 56.100 -0.385 0.000 0.995 413 R CB -0.056 29.906 30.300 -0.564 0.000 0.893 413 R HN 0.142 nan 8.270 nan 0.000 0.459 414 Y N 0.887 121.199 120.300 0.020 0.000 2.361 414 Y HA 0.294 4.844 4.550 -0.001 0.000 0.332 414 Y C 0.470 176.380 175.900 0.017 0.000 1.101 414 Y CA -2.276 55.845 58.100 0.036 0.000 1.137 414 Y CB 0.791 39.300 38.460 0.083 0.000 1.207 414 Y HN 0.056 nan 8.280 nan 0.000 0.463 415 D N -1.928 118.554 120.400 0.136 0.000 2.758 415 D HA 0.395 5.035 4.640 -0.001 0.000 0.262 415 D C -0.755 175.558 176.300 0.022 0.000 1.113 415 D CA -0.702 53.287 54.000 -0.018 0.000 1.114 415 D CB 0.685 41.366 40.800 -0.198 0.000 1.363 415 D HN 0.593 nan 8.370 nan 0.000 0.617 416 H N -1.268 117.830 119.070 0.048 0.000 2.976 416 H HA -0.114 4.442 4.556 -0.001 0.000 0.273 416 H C 0.442 175.782 175.328 0.021 0.000 1.259 416 H CA 0.648 56.711 56.048 0.024 0.000 1.122 416 H CB -1.854 27.912 29.762 0.006 0.000 1.298 416 H HN 0.434 nan 8.280 nan 0.000 0.379 417 Q N -0.226 119.642 119.800 0.113 0.000 2.226 417 Q HA 0.084 4.423 4.340 -0.001 0.000 0.204 417 Q C 1.021 177.062 176.000 0.068 0.000 0.975 417 Q CA 1.161 57.012 55.803 0.081 0.000 0.866 417 Q CB 0.591 29.368 28.738 0.064 0.000 0.915 417 Q HN 0.316 nan 8.270 nan 0.000 0.440 418 V N 0.780 120.739 119.914 0.075 0.000 2.350 418 V HA 0.608 4.728 4.120 -0.001 0.000 0.276 418 V C 0.520 176.637 176.094 0.039 0.000 1.028 418 V CA -0.286 62.045 62.300 0.053 0.000 0.860 418 V CB 0.879 32.736 31.823 0.056 0.000 0.990 418 V HN 0.256 nan 8.190 nan 0.000 0.453 419 G N 2.603 111.397 108.800 -0.010 0.000 2.795 419 G HA2 0.452 4.412 3.960 -0.001 0.000 0.267 419 G HA3 0.452 4.412 3.960 -0.001 0.000 0.267 419 G C 0.842 175.706 174.900 -0.061 0.000 1.362 419 G CA 0.373 45.451 45.100 -0.036 0.000 1.048 419 G HN 0.654 nan 8.290 nan 0.000 0.547 420 T N -2.996 111.518 114.554 -0.067 0.000 3.169 420 T HA 0.234 4.584 4.350 -0.001 0.000 0.250 420 T C 1.245 175.886 174.700 -0.097 0.000 1.111 420 T CA 0.308 62.370 62.100 -0.063 0.000 1.010 420 T CB -0.071 68.777 68.868 -0.034 0.000 0.984 420 T HN 0.527 nan 8.240 nan 0.000 0.537 421 R N -0.184 120.226 120.500 -0.151 0.000 2.624 421 R HA 0.150 4.490 4.340 -0.001 0.000 0.176 421 R C 0.080 176.178 176.300 -0.338 0.000 0.956 421 R CA 0.458 56.422 56.100 -0.225 0.000 1.723 421 R CB 0.363 30.556 30.300 -0.179 0.000 1.693 421 R HN 0.486 nan 8.270 nan 0.000 0.520 422 T N -0.765 113.635 114.554 -0.257 0.000 2.906 422 T HA 0.874 5.224 4.350 -0.001 0.000 0.295 422 T C -0.894 173.721 174.700 -0.140 0.000 1.075 422 T CA -0.743 61.209 62.100 -0.247 0.000 1.005 422 T CB 2.659 71.416 68.868 -0.184 0.000 1.136 422 T HN 0.198 nan 8.240 nan 0.000 0.498 423 A N 1.733 124.521 122.820 -0.054 0.000 2.455 423 A HA 0.702 5.022 4.320 -0.001 0.000 0.300 423 A C -1.060 176.592 177.584 0.113 0.000 1.040 423 A CA -0.884 51.188 52.037 0.059 0.000 0.697 423 A CB 1.500 20.586 19.000 0.143 0.000 1.265 423 A HN 1.085 nan 8.150 nan 0.000 0.407 424 L N 2.940 124.208 121.223 0.076 0.000 2.319 424 L HA 0.476 4.815 4.340 -0.001 0.000 0.280 424 L C -0.483 176.429 176.870 0.069 0.000 1.099 424 L CA -0.019 54.856 54.840 0.057 0.000 0.828 424 L CB 0.249 42.326 42.059 0.030 0.000 1.150 424 L HN 0.572 nan 8.230 nan 0.000 0.442 425 L N 8.471 129.727 121.223 0.055 0.000 2.385 425 L HA 0.229 4.568 4.340 -0.001 0.000 0.281 425 L C -0.897 175.983 176.870 0.017 0.000 1.106 425 L CA -1.287 53.574 54.840 0.034 0.000 0.856 425 L CB 0.280 42.341 42.059 0.004 0.000 1.186 425 L HN 0.624 nan 8.230 nan 0.000 0.453 426 P HA -0.117 nan 4.420 nan 0.000 0.221 426 P C 0.786 178.083 177.300 -0.005 0.000 1.145 426 P CA 0.510 63.615 63.100 0.009 0.000 0.795 426 P CB 0.117 31.828 31.700 0.018 0.000 0.775 427 G N 1.615 110.423 108.800 0.013 0.000 2.367 427 G HA2 0.048 4.007 3.960 -0.001 0.000 0.280 427 G HA3 0.048 4.007 3.960 -0.001 0.000 0.280 427 G C -0.146 174.754 174.900 -0.000 0.000 1.175 427 G CA -0.451 44.665 45.100 0.027 0.000 1.001 427 G HN 0.201 nan 8.290 nan 0.000 0.437 428 K N 2.826 123.205 120.400 -0.035 0.000 2.405 428 K HA 0.221 4.541 4.320 -0.001 0.000 0.276 428 K C 0.833 177.416 176.600 -0.028 0.000 1.099 428 K CA 0.285 56.550 56.287 -0.037 0.000 1.120 428 K CB -0.064 32.407 32.500 -0.048 0.000 0.877 428 K HN 0.454 nan 8.250 nan 0.000 0.472 429 G N 2.633 111.422 108.800 -0.019 0.000 2.644 429 G HA2 0.105 4.065 3.960 -0.001 0.000 0.307 429 G HA3 0.105 4.065 3.960 -0.001 0.000 0.307 429 G C -0.118 174.786 174.900 0.007 0.000 1.250 429 G CA -0.618 44.478 45.100 -0.006 0.000 0.996 429 G HN 0.709 nan 8.290 nan 0.000 0.489 430 D N -0.360 120.064 120.400 0.040 0.000 2.310 430 D HA 0.101 4.741 4.640 -0.001 0.000 0.212 430 D C 1.134 177.449 176.300 0.025 0.000 0.965 430 D CA 1.169 55.209 54.000 0.068 0.000 0.879 430 D CB 0.444 41.304 40.800 0.100 0.000 0.921 430 D HN 0.415 nan 8.370 nan 0.000 0.510 431 A N 0.068 122.889 122.820 0.001 0.000 2.454 431 A HA 0.664 4.984 4.320 -0.001 0.000 0.302 431 A C -0.694 176.869 177.584 -0.034 0.000 1.079 431 A CA -0.540 51.485 52.037 -0.020 0.000 0.731 431 A CB 1.714 20.699 19.000 -0.025 0.000 1.299 431 A HN 0.030 nan 8.150 nan 0.000 0.413 432 A N 0.462 123.252 122.820 -0.050 0.000 2.440 432 A HA 0.546 4.866 4.320 -0.001 0.000 0.251 432 A C -0.372 177.186 177.584 -0.043 0.000 1.089 432 A CA -0.085 51.919 52.037 -0.055 0.000 0.779 432 A CB -0.022 18.936 19.000 -0.069 0.000 1.022 432 A HN 1.254 nan 8.150 nan 0.000 0.492 433 V N 4.830 124.727 119.914 -0.028 0.000 2.376 433 V HA 0.246 4.366 4.120 -0.001 0.000 0.287 433 V C -0.649 175.452 176.094 0.011 0.000 1.015 433 V CA -0.576 61.715 62.300 -0.015 0.000 0.834 433 V CB 1.190 33.006 31.823 -0.012 0.000 1.001 433 V HN 0.699 nan 8.190 nan 0.000 0.428 434 L N 4.413 125.639 121.223 0.005 0.000 2.257 434 L HA 0.401 4.741 4.340 -0.001 0.000 0.290 434 L C -0.373 176.545 176.870 0.080 0.000 1.044 434 L CA -0.094 54.760 54.840 0.023 0.000 0.810 434 L CB 1.076 43.115 42.059 -0.034 0.000 1.193 434 L HN 0.829 nan 8.230 nan 0.000 0.425 435 W N 6.450 127.694 121.300 -0.094 0.000 2.316 435 W HA 0.420 5.080 4.660 -0.001 0.000 0.311 435 W C -0.301 176.128 176.519 -0.150 0.000 1.217 435 W CA -1.103 56.178 57.345 -0.106 0.000 1.199 435 W CB 0.474 29.890 29.460 -0.074 0.000 1.202 435 W HN 0.353 nan 8.180 nan 0.000 0.528 436 I N 7.911 128.318 120.570 -0.271 0.000 2.291 436 I HA 0.076 4.245 4.170 -0.001 0.000 0.292 436 I C 0.614 176.176 176.117 -0.926 0.000 1.064 436 I CA -0.568 60.373 61.300 -0.599 0.000 1.269 436 I CB 0.188 37.816 38.000 -0.621 0.000 1.418 436 I HN 0.261 nan 8.210 nan 0.000 0.485 437 K N 4.665 124.384 120.400 -1.136 0.000 2.485 437 K HA 0.186 4.505 4.320 -0.001 0.000 0.277 437 K C 1.178 177.489 176.600 -0.480 0.000 0.990 437 K CA 0.789 56.384 56.287 -1.154 0.000 0.994 437 K CB 0.362 32.346 32.500 -0.860 0.000 0.906 437 K HN 0.952 nan 8.250 nan 0.000 0.488 438 G N 1.126 109.790 108.800 -0.227 0.000 2.195 438 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.246 438 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.246 438 G C 0.272 175.218 174.900 0.077 0.000 0.984 438 G CA 0.540 45.630 45.100 -0.018 0.000 0.633 438 G HN 0.801 nan 8.290 nan 0.000 0.525 439 T N -3.387 111.220 114.554 0.087 0.000 2.742 439 T HA 0.724 5.074 4.350 -0.001 0.000 0.282 439 T C 0.717 175.585 174.700 0.280 0.000 1.025 439 T CA -0.232 61.961 62.100 0.156 0.000 1.020 439 T CB 1.618 70.541 68.868 0.092 0.000 1.317 439 T HN 0.137 nan 8.240 nan 0.000 0.538 440 R N -0.274 120.342 120.500 0.193 0.000 2.393 440 R HA 0.391 4.730 4.340 -0.001 0.000 0.244 440 R C -0.013 176.366 176.300 0.133 0.000 0.920 440 R CA -0.231 55.964 56.100 0.157 0.000 1.076 440 R CB -0.099 30.252 30.300 0.084 0.000 1.119 440 R HN 0.437 nan 8.270 nan 0.000 0.524 441 L N 0.509 121.818 121.223 0.144 0.000 2.371 441 L HA 0.436 4.775 4.340 -0.001 0.000 0.272 441 L C 0.603 177.545 176.870 0.119 0.000 1.124 441 L CA -0.472 54.418 54.840 0.084 0.000 0.816 441 L CB 1.298 43.367 42.059 0.016 0.000 1.129 441 L HN 0.046 nan 8.230 nan 0.000 0.448 442 G N 1.756 110.590 108.800 0.057 0.000 2.662 442 G HA2 0.590 4.550 3.960 -0.001 0.000 0.302 442 G HA3 0.590 4.550 3.960 -0.001 0.000 0.302 442 G C -1.438 173.459 174.900 -0.005 0.000 1.389 442 G CA -0.343 44.787 45.100 0.051 0.000 0.998 442 G HN 0.286 nan 8.290 nan 0.000 0.502 443 V N 1.173 121.071 119.914 -0.027 0.000 2.417 443 V HA 0.737 4.856 4.120 -0.001 0.000 0.291 443 V C 0.474 176.529 176.094 -0.065 0.000 1.024 443 V CA -0.690 61.574 62.300 -0.060 0.000 0.861 443 V CB 1.166 32.937 31.823 -0.087 0.000 0.985 443 V HN 1.093 nan 8.190 nan 0.000 0.436 444 A N 4.052 126.826 122.820 -0.076 0.000 2.324 444 A HA 0.990 5.309 4.320 -0.001 0.000 0.330 444 A C -0.087 177.430 177.584 -0.111 0.000 1.165 444 A CA -0.202 51.790 52.037 -0.075 0.000 0.813 444 A CB 1.438 20.405 19.000 -0.055 0.000 1.197 444 A HN 1.439 nan 8.150 nan 0.000 0.484 445 A N 2.040 124.801 122.820 -0.099 0.000 2.549 445 A HA 0.867 5.187 4.320 -0.001 0.000 0.297 445 A C -0.787 176.754 177.584 -0.071 0.000 1.061 445 A CA -0.621 51.346 52.037 -0.116 0.000 0.690 445 A CB 1.729 20.644 19.000 -0.141 0.000 1.287 445 A HN 0.703 nan 8.150 nan 0.000 0.402 446 K N 0.360 120.727 120.400 -0.054 0.000 2.587 446 K HA 0.569 4.889 4.320 -0.001 0.000 0.276 446 K C -2.283 174.314 176.600 -0.005 0.000 0.956 446 K CA -0.371 55.901 56.287 -0.025 0.000 0.857 446 K CB 2.039 34.528 32.500 -0.018 0.000 1.431 446 K HN 1.162 nan 8.250 nan 0.000 0.420 447 V N 2.684 122.600 119.914 0.004 0.000 2.588 447 V HA 0.654 4.774 4.120 -0.001 0.000 0.304 447 V C -1.458 174.637 176.094 0.000 0.000 1.042 447 V CA -0.309 61.998 62.300 0.012 0.000 0.877 447 V CB 1.771 33.603 31.823 0.014 0.000 0.996 447 V HN 0.779 nan 8.190 nan 0.000 0.425 448 D N 3.857 124.251 120.400 -0.009 0.000 2.583 448 D HA 0.688 5.327 4.640 -0.001 0.000 0.248 448 D C -1.641 174.631 176.300 -0.046 0.000 1.209 448 D CA -0.210 53.774 54.000 -0.025 0.000 0.848 448 D CB 2.483 43.271 40.800 -0.020 0.000 1.431 448 D HN 0.806 nan 8.370 nan 0.000 0.436 449 Q N 0.297 120.051 119.800 -0.077 0.000 2.844 449 Q HA 0.160 4.500 4.340 -0.001 0.000 0.230 449 Q C -2.466 173.412 176.000 -0.203 0.000 1.005 449 Q CA -0.576 55.163 55.803 -0.107 0.000 1.020 449 Q CB -0.059 28.627 28.738 -0.087 0.000 1.920 449 Q HN 0.330 nan 8.270 nan 0.000 0.488 450 N N 3.768 122.303 118.700 -0.275 0.000 2.511 450 N HA 0.450 5.189 4.740 -0.001 0.000 0.249 450 N C -1.705 173.545 175.510 -0.434 0.000 0.971 450 N CA -2.196 50.551 53.050 -0.505 0.000 0.938 450 N CB 1.357 39.343 38.487 -0.835 0.000 1.131 450 N HN 0.517 nan 8.380 nan 0.000 0.505 451 P HA -0.171 nan 4.420 nan 0.000 0.218 451 P C 0.670 177.752 177.300 -0.363 0.000 1.149 451 P CA 1.142 63.998 63.100 -0.408 0.000 0.817 451 P CB 0.380 31.816 31.700 -0.440 0.000 0.785 452 R N -0.732 119.571 120.500 -0.328 0.000 2.066 452 R HA -0.103 4.237 4.340 -0.001 0.000 0.232 452 R C 2.830 179.166 176.300 0.061 0.000 1.131 452 R CA 1.437 57.489 56.100 -0.081 0.000 0.955 452 R CB -0.985 29.296 30.300 -0.032 0.000 0.851 452 R HN 0.338 nan 8.270 nan 0.000 0.432 453 Y N 0.699 120.902 120.300 -0.161 0.000 2.145 453 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 453 Y C 2.813 178.658 175.900 -0.092 0.000 1.145 453 Y CA 0.552 58.565 58.100 -0.146 0.000 1.148 453 Y CB -0.120 38.216 38.460 -0.207 0.000 0.981 453 Y HN 0.093 nan 8.280 nan 0.000 0.507 454 S N 0.063 115.804 115.700 0.067 0.000 2.368 454 S HA -0.228 4.241 4.470 -0.001 0.000 0.225 454 S C 1.902 176.497 174.600 -0.008 0.000 1.030 454 S CA 1.558 59.766 58.200 0.013 0.000 0.999 454 S CB -0.360 62.812 63.200 -0.046 0.000 0.844 454 S HN 0.311 nan 8.310 nan 0.000 0.459 455 R N 1.775 122.243 120.500 -0.053 0.000 2.081 455 R HA 0.083 4.423 4.340 -0.001 0.000 0.235 455 R C 1.831 178.139 176.300 0.014 0.000 1.131 455 R CA 1.490 57.561 56.100 -0.048 0.000 0.960 455 R CB -0.905 29.344 30.300 -0.085 0.000 0.856 455 R HN 0.425 nan 8.270 nan 0.000 0.436 456 L N -1.240 120.008 121.223 0.042 0.000 2.341 456 L HA 0.067 4.406 4.340 -0.001 0.000 0.214 456 L C 0.667 177.574 176.870 0.062 0.000 1.115 456 L CA 0.571 55.443 54.840 0.054 0.000 0.820 456 L CB -0.056 42.037 42.059 0.056 0.000 0.944 456 L HN 0.306 nan 8.230 nan 0.000 0.452 457 H N -0.428 118.619 119.070 -0.038 0.000 2.734 457 H HA 0.137 4.695 4.556 0.002 0.000 0.247 457 H C -2.129 173.184 175.328 -0.025 0.000 1.415 457 H CA -1.602 54.420 56.048 -0.043 0.000 1.514 457 H CB 0.983 30.658 29.762 -0.145 0.000 1.841 457 H HN -0.171 nan 8.280 nan 0.000 0.609 458 P HA -0.266 nan 4.420 nan 0.000 0.218 458 P C 1.793 179.149 177.300 0.094 0.000 1.154 458 P CA 1.259 64.404 63.100 0.076 0.000 0.872 458 P CB 0.655 32.356 31.700 0.003 0.000 0.790 459 R N -0.486 120.121 120.500 0.178 0.000 2.073 459 R HA -0.136 4.204 4.340 -0.001 0.000 0.234 459 R C 2.462 178.778 176.300 0.027 0.000 1.134 459 R CA 1.296 57.460 56.100 0.108 0.000 0.952 459 R CB -0.897 29.507 30.300 0.172 0.000 0.850 459 R HN 0.094 nan 8.270 nan 0.000 0.433 460 L N 0.535 121.714 121.223 -0.073 0.000 2.141 460 L HA 0.049 4.389 4.340 -0.001 0.000 0.209 460 L C 2.073 178.945 176.870 0.003 0.000 1.094 460 L CA 2.093 56.782 54.840 -0.251 0.000 0.763 460 L CB -0.831 40.798 42.059 -0.717 0.000 0.908 460 L HN 0.296 nan 8.230 nan 0.000 0.437 461 G N -0.550 108.287 108.800 0.061 0.000 2.421 461 G HA2 -0.085 3.875 3.960 -0.001 0.000 0.216 461 G HA3 -0.085 3.875 3.960 -0.001 0.000 0.216 461 G C 0.955 175.903 174.900 0.079 0.000 1.171 461 G CA 0.563 45.738 45.100 0.125 0.000 0.775 461 G HN 0.671 nan 8.290 nan 0.000 0.543 465 A N 1.906 124.771 122.820 0.076 0.000 1.858 465 A HA -0.085 4.235 4.320 -0.001 0.000 0.216 465 A C 2.328 179.878 177.584 -0.057 0.000 1.190 465 A CA 1.672 53.707 52.037 -0.003 0.000 0.617 465 A CB -0.883 18.097 19.000 -0.033 0.000 0.827 465 A HN 0.280 nan 8.150 nan 0.000 0.443 466 L N -0.828 120.319 121.223 -0.126 0.000 2.017 466 L HA -0.191 4.149 4.340 -0.001 0.000 0.208 466 L C 3.024 179.819 176.870 -0.125 0.000 1.073 466 L CA 1.343 56.060 54.840 -0.205 0.000 0.745 466 L CB -0.484 41.369 42.059 -0.343 0.000 0.894 466 L HN 0.459 nan 8.230 nan 0.000 0.432 467 A N -0.344 122.416 122.820 -0.100 0.000 1.873 467 A HA -0.332 3.988 4.320 -0.001 0.000 0.218 467 A C 2.165 179.732 177.584 -0.030 0.000 1.193 467 A CA 2.177 54.170 52.037 -0.072 0.000 0.629 467 A CB -0.800 18.142 19.000 -0.097 0.000 0.826 467 A HN 0.570 nan 8.150 nan 0.000 0.447 468 E N -0.372 119.832 120.200 0.007 0.000 2.038 468 E HA -0.177 4.172 4.350 -0.001 0.000 0.195 468 E C 2.202 178.800 176.600 -0.004 0.000 1.000 468 E CA 1.257 57.669 56.400 0.020 0.000 0.803 468 E CB -0.302 29.422 29.700 0.041 0.000 0.750 468 E HN 0.539 nan 8.360 nan 0.000 0.448 469 A N 0.426 123.236 122.820 -0.016 0.000 1.908 469 A HA -0.229 4.091 4.320 -0.001 0.000 0.218 469 A C 2.494 180.068 177.584 -0.016 0.000 1.181 469 A CA 1.621 53.649 52.037 -0.015 0.000 0.627 469 A CB -0.974 18.016 19.000 -0.017 0.000 0.818 469 A HN 0.545 nan 8.150 nan 0.000 0.445 470 C N -1.426 117.859 119.300 -0.025 0.000 2.440 470 C HA -0.017 4.442 4.460 -0.001 0.000 0.278 470 C C 2.783 177.761 174.990 -0.019 0.000 1.295 470 C CA 1.058 60.065 59.018 -0.019 0.000 1.738 470 C CB -1.279 26.445 27.740 -0.026 0.000 1.987 470 C HN 0.698 nan 8.230 nan 0.000 0.492 471 R N 1.248 121.737 120.500 -0.019 0.000 2.075 471 R HA -0.101 4.239 4.340 -0.001 0.000 0.232 471 R C 1.916 178.208 176.300 -0.013 0.000 1.126 471 R CA 1.399 57.489 56.100 -0.016 0.000 0.963 471 R CB -0.306 29.988 30.300 -0.011 0.000 0.858 471 R HN 0.537 nan 8.270 nan 0.000 0.435 472 N N 0.082 118.777 118.700 -0.007 0.000 2.223 472 N HA -0.129 4.610 4.740 -0.001 0.000 0.185 472 N C 1.721 177.228 175.510 -0.006 0.000 1.016 472 N CA 1.162 54.212 53.050 0.001 0.000 0.863 472 N CB -0.033 38.458 38.487 0.005 0.000 0.983 472 N HN 0.091 nan 8.380 nan 0.000 0.429 473 V N 0.689 120.593 119.914 -0.016 0.000 2.407 473 V HA -0.097 4.023 4.120 -0.001 0.000 0.245 473 V C 2.163 178.243 176.094 -0.024 0.000 1.041 473 V CA 1.225 63.510 62.300 -0.025 0.000 1.040 473 V CB -0.421 31.383 31.823 -0.032 0.000 0.671 473 V HN 0.232 nan 8.190 nan 0.000 0.455 474 S N -0.058 115.628 115.700 -0.024 0.000 2.382 474 S HA -0.162 4.307 4.470 -0.001 0.000 0.228 474 S C 1.984 176.565 174.600 -0.032 0.000 1.027 474 S CA 1.358 59.541 58.200 -0.030 0.000 0.991 474 S CB -0.184 62.996 63.200 -0.032 0.000 0.823 474 S HN 0.373 nan 8.310 nan 0.000 0.469 475 V N 1.989 121.891 119.914 -0.020 0.000 2.594 475 V HA -0.105 4.014 4.120 -0.001 0.000 0.253 475 V C 2.096 178.189 176.094 -0.002 0.000 1.069 475 V CA 1.622 63.916 62.300 -0.009 0.000 1.082 475 V CB -0.591 31.241 31.823 0.015 0.000 0.680 475 V HN 0.608 nan 8.190 nan 0.000 0.469 476 V N -2.154 117.756 119.914 -0.007 0.000 3.649 476 V HA 0.597 4.717 4.120 -0.001 0.000 0.275 476 V C 1.384 177.466 176.094 -0.021 0.000 1.281 476 V CA 0.781 63.076 62.300 -0.008 0.000 1.143 476 V CB -0.305 31.512 31.823 -0.010 0.000 0.892 476 V HN 0.614 nan 8.190 nan 0.000 0.441 477 G N -0.553 108.230 108.800 -0.028 0.000 2.148 477 G HA2 0.059 4.018 3.960 -0.001 0.000 0.203 477 G HA3 0.059 4.018 3.960 -0.001 0.000 0.203 477 G C 0.194 175.075 174.900 -0.032 0.000 0.993 477 G CA 0.092 45.171 45.100 -0.035 0.000 0.661 477 G HN 1.554 nan 8.290 nan 0.000 0.518 478 A N -0.240 122.562 122.820 -0.030 0.000 2.320 478 A HA 0.818 5.138 4.320 -0.001 0.000 0.334 478 A C 0.190 177.758 177.584 -0.025 0.000 1.147 478 A CA -0.078 51.943 52.037 -0.027 0.000 0.820 478 A CB 1.084 20.065 19.000 -0.031 0.000 1.218 478 A HN 0.545 nan 8.150 nan 0.000 0.482 479 K N 1.821 122.209 120.400 -0.020 0.000 2.234 479 K HA 0.425 4.745 4.320 -0.001 0.000 0.277 479 K C -2.693 173.902 176.600 -0.008 0.000 1.038 479 K CA -1.931 54.348 56.287 -0.013 0.000 0.888 479 K CB 0.670 33.165 32.500 -0.008 0.000 1.091 479 K HN 0.298 nan 8.250 nan 0.000 0.467 480 P HA -0.065 nan 4.420 nan 0.000 0.260 480 P C -0.214 177.105 177.300 0.032 0.000 1.185 480 P CA 0.365 63.472 63.100 0.012 0.000 0.763 480 P CB 0.496 32.208 31.700 0.021 0.000 0.776 481 L N 2.254 123.500 121.223 0.038 0.000 2.316 481 L HA 0.420 4.760 4.340 -0.001 0.000 0.207 481 L C 1.037 177.974 176.870 0.111 0.000 1.070 481 L CA 0.516 55.393 54.840 0.061 0.000 0.820 481 L CB -0.054 42.035 42.059 0.050 0.000 0.992 481 L HN 0.415 nan 8.230 nan 0.000 0.466 482 A N -1.278 121.645 122.820 0.172 0.000 2.490 482 A HA 0.523 4.842 4.320 -0.001 0.000 0.292 482 A C -2.079 175.738 177.584 0.389 0.000 1.047 482 A CA -0.521 51.659 52.037 0.239 0.000 0.632 482 A CB 0.585 19.706 19.000 0.202 0.000 1.323 482 A HN 0.138 nan 8.150 nan 0.000 0.448 483 Y N -1.503 118.934 120.300 0.229 0.000 2.669 483 Y HA 0.914 5.464 4.550 -0.001 0.000 0.335 483 Y C -0.307 175.698 175.900 0.176 0.000 1.116 483 Y CA -0.434 57.817 58.100 0.252 0.000 1.081 483 Y CB 1.432 39.962 38.460 0.116 0.000 1.297 483 Y HN 1.020 nan 8.280 nan 0.000 0.484 484 T N 1.838 116.600 114.554 0.346 0.000 2.886 484 T HA 0.399 4.749 4.350 -0.001 0.000 0.292 484 T C -2.115 172.747 174.700 0.271 0.000 1.012 484 T CA -0.698 61.457 62.100 0.091 0.000 0.982 484 T CB 0.790 69.700 68.868 0.070 0.000 1.018 484 T HN 0.890 nan 8.240 nan 0.000 0.451 485 D N 2.597 123.105 120.400 0.179 0.000 2.593 485 D HA 0.390 5.030 4.640 -0.001 0.000 0.251 485 D C -0.010 176.345 176.300 0.092 0.000 1.140 485 D CA -0.580 53.534 54.000 0.189 0.000 0.855 485 D CB 1.605 42.568 40.800 0.271 0.000 1.267 485 D HN 0.691 nan 8.370 nan 0.000 0.532 486 G N 2.980 111.819 108.800 0.065 0.000 2.475 486 G HA2 0.468 4.428 3.960 -0.001 0.000 0.322 486 G HA3 0.468 4.428 3.960 -0.001 0.000 0.322 486 G C 0.124 175.038 174.900 0.022 0.000 1.044 486 G CA -0.681 44.442 45.100 0.038 0.000 1.047 486 G HN 0.497 nan 8.290 nan 0.000 0.436 487 L N 2.836 124.073 121.223 0.024 0.000 2.305 487 L HA 0.385 4.725 4.340 -0.001 0.000 0.281 487 L C -0.186 176.676 176.870 -0.013 0.000 1.085 487 L CA -0.636 54.205 54.840 0.002 0.000 0.813 487 L CB 0.910 42.969 42.059 0.001 0.000 1.157 487 L HN 0.421 nan 8.230 nan 0.000 0.436 488 N N 5.190 123.880 118.700 -0.017 0.000 2.480 488 N HA 0.669 5.408 4.740 -0.001 0.000 0.289 488 N C -1.128 174.375 175.510 -0.011 0.000 1.073 488 N CA -0.410 52.632 53.050 -0.014 0.000 0.885 488 N CB 2.760 41.241 38.487 -0.009 0.000 1.421 488 N HN 0.334 nan 8.380 nan 0.000 0.503 489 L N -0.081 121.128 121.223 -0.024 0.000 2.389 489 L HA 0.656 4.995 4.340 -0.001 0.000 0.249 489 L C 1.133 177.985 176.870 -0.031 0.000 1.083 489 L CA -0.743 54.077 54.840 -0.034 0.000 0.876 489 L CB 1.151 43.173 42.059 -0.062 0.000 1.489 489 L HN 0.459 nan 8.230 nan 0.000 0.412 490 G N -0.913 107.867 108.800 -0.034 0.000 2.508 490 G HA2 0.358 4.318 3.960 -0.001 0.000 0.278 490 G HA3 0.358 4.318 3.960 -0.001 0.000 0.278 490 G C -0.352 174.485 174.900 -0.104 0.000 1.389 490 G CA -0.221 44.867 45.100 -0.020 0.000 1.050 490 G HN 0.503 nan 8.290 nan 0.000 0.522 491 S N 0.371 116.013 115.700 -0.096 0.000 2.560 491 S HA 0.205 4.675 4.470 -0.001 0.000 0.284 491 S C -0.913 173.568 174.600 -0.199 0.000 1.327 491 S CA -0.714 57.317 58.200 -0.280 0.000 1.055 491 S CB 1.148 64.344 63.200 -0.006 0.000 0.868 491 S HN 0.369 nan 8.310 nan 0.000 0.506 492 P HA 0.086 nan 4.420 nan 0.000 0.251 492 P C 0.664 177.999 177.300 0.059 0.000 1.223 492 P CA 0.140 63.232 63.100 -0.013 0.000 0.796 492 P CB 0.286 31.986 31.700 0.000 0.000 1.068 493 E N 1.073 121.276 120.200 0.005 0.000 2.001 493 E HA -0.077 4.272 4.350 -0.001 0.000 0.195 493 E C 1.100 177.710 176.600 0.017 0.000 1.002 493 E CA 1.303 57.718 56.400 0.024 0.000 0.819 493 E CB -1.668 28.074 29.700 0.070 0.000 0.769 493 E HN 0.323 nan 8.360 nan 0.000 0.454 494 T N 0.486 115.061 114.554 0.034 0.000 2.946 494 T HA 0.011 4.360 4.350 -0.001 0.000 0.311 494 T C -2.070 172.665 174.700 0.059 0.000 1.063 494 T CA -1.115 61.006 62.100 0.034 0.000 1.139 494 T CB 1.003 69.894 68.868 0.037 0.000 0.994 494 T HN -0.216 nan 8.240 nan 0.000 0.547 495 P HA -0.076 nan 4.420 nan 0.000 0.216 495 P C 1.219 178.594 177.300 0.125 0.000 1.150 495 P CA 1.046 64.193 63.100 0.078 0.000 0.837 495 P CB 0.064 31.782 31.700 0.030 0.000 0.786 496 E N -0.663 119.583 120.200 0.076 0.000 2.072 496 E HA -0.087 4.262 4.350 -0.001 0.000 0.191 496 E C 2.315 178.986 176.600 0.118 0.000 0.985 496 E CA 1.548 57.994 56.400 0.077 0.000 0.801 496 E CB -1.524 28.196 29.700 0.034 0.000 0.750 496 E HN 0.223 nan 8.360 nan 0.000 0.452 497 G N -0.119 108.737 108.800 0.092 0.000 2.402 497 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.216 497 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.216 497 G C 1.470 176.420 174.900 0.083 0.000 1.162 497 G CA 0.674 45.812 45.100 0.063 0.000 0.777 497 G HN 0.277 nan 8.290 nan 0.000 0.539 498 Y N 0.640 120.945 120.300 0.010 0.000 2.224 498 Y HA -0.145 4.403 4.550 -0.003 0.000 0.289 498 Y C 2.577 178.497 175.900 0.032 0.000 1.146 498 Y CA 1.958 60.062 58.100 0.008 0.000 1.182 498 Y CB -0.357 38.114 38.460 0.019 0.000 0.983 498 Y HN 0.408 nan 8.280 nan 0.000 0.524 499 H N 0.358 119.477 119.070 0.082 0.000 2.321 499 H HA -0.157 4.401 4.556 0.004 0.000 0.300 499 H C 1.700 176.990 175.328 -0.063 0.000 1.087 499 H CA 2.133 58.187 56.048 0.011 0.000 1.319 499 H CB 0.089 29.872 29.762 0.035 0.000 1.379 499 H HN 0.530 nan 8.280 nan 0.000 0.501 500 E N 0.183 120.363 120.200 -0.033 0.000 2.110 500 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 500 E C 2.385 178.887 176.600 -0.163 0.000 0.988 500 E CA 0.850 57.194 56.400 -0.093 0.000 0.804 500 E CB -0.027 29.662 29.700 -0.017 0.000 0.745 500 E HN 0.277 nan 8.360 nan 0.000 0.458 501 L N 0.965 122.072 121.223 -0.194 0.000 2.056 501 L HA -0.078 4.261 4.340 -0.001 0.000 0.207 501 L C 2.210 178.907 176.870 -0.288 0.000 1.078 501 L CA 1.937 56.637 54.840 -0.233 0.000 0.749 501 L CB -0.545 41.344 42.059 -0.285 0.000 0.901 501 L HN 0.019 nan 8.230 nan 0.000 0.433 502 A N -0.837 121.741 122.820 -0.405 0.000 1.873 502 A HA -0.152 4.168 4.320 -0.001 0.000 0.215 502 A C 2.157 179.592 177.584 -0.249 0.000 1.186 502 A CA 1.576 53.401 52.037 -0.352 0.000 0.616 502 A CB -0.591 18.188 19.000 -0.368 0.000 0.823 502 A HN 0.521 nan 8.150 nan 0.000 0.442 503 E N -0.333 119.682 120.200 -0.308 0.000 2.110 503 E HA -0.117 4.233 4.350 -0.001 0.000 0.193 503 E C 2.132 178.658 176.600 -0.123 0.000 0.988 503 E CA 1.603 57.866 56.400 -0.229 0.000 0.804 503 E CB -0.702 28.814 29.700 -0.307 0.000 0.745 503 E HN 0.602 nan 8.360 nan 0.000 0.458 504 T N 1.800 116.279 114.554 -0.124 0.000 2.708 504 T HA -0.092 4.258 4.350 -0.001 0.000 0.266 504 T C 2.119 176.781 174.700 -0.063 0.000 1.037 504 T CA 0.921 62.976 62.100 -0.076 0.000 1.146 504 T CB -0.193 68.631 68.868 -0.074 0.000 0.865 504 T HN 0.120 nan 8.240 nan 0.000 0.435 505 I N 1.253 121.776 120.570 -0.079 0.000 2.226 505 I HA -0.175 3.994 4.170 -0.001 0.000 0.245 505 I C 2.915 179.008 176.117 -0.039 0.000 1.100 505 I CA 1.071 62.342 61.300 -0.049 0.000 1.374 505 I CB -0.496 37.466 38.000 -0.063 0.000 1.057 505 I HN 0.201 nan 8.210 nan 0.000 0.413 506 A N 0.966 123.752 122.820 -0.056 0.000 1.933 506 A HA -0.113 4.207 4.320 -0.001 0.000 0.218 506 A C 2.427 179.992 177.584 -0.031 0.000 1.175 506 A CA 1.804 53.818 52.037 -0.038 0.000 0.628 506 A CB -1.317 17.656 19.000 -0.044 0.000 0.814 506 A HN 0.462 nan 8.150 nan 0.000 0.444 507 G N -0.144 108.634 108.800 -0.038 0.000 2.421 507 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.216 507 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.216 507 G C 1.363 176.228 174.900 -0.058 0.000 1.171 507 G CA 1.189 46.263 45.100 -0.043 0.000 0.775 507 G HN 0.334 nan 8.290 nan 0.000 0.543 508 L N 1.081 122.272 121.223 -0.053 0.000 2.012 508 L HA -0.024 4.316 4.340 -0.001 0.000 0.210 508 L C 2.690 179.543 176.870 -0.028 0.000 1.073 508 L CA 1.962 56.759 54.840 -0.072 0.000 0.748 508 L CB -0.947 41.106 42.059 -0.011 0.000 0.891 508 L HN 0.309 nan 8.230 nan 0.000 0.431 509 K N -0.046 120.358 120.400 0.008 0.000 2.020 509 K HA -0.282 4.038 4.320 -0.001 0.000 0.212 509 K C 2.111 178.711 176.600 0.001 0.000 1.050 509 K CA 2.144 58.444 56.287 0.022 0.000 0.929 509 K CB -0.178 32.329 32.500 0.011 0.000 0.714 509 K HN 0.391 nan 8.250 nan 0.000 0.443 510 E N -0.385 119.803 120.200 -0.020 0.000 2.110 510 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 510 E C 1.756 178.329 176.600 -0.045 0.000 0.988 510 E CA 1.082 57.464 56.400 -0.029 0.000 0.804 510 E CB -0.117 29.562 29.700 -0.035 0.000 0.745 510 E HN 0.474 nan 8.360 nan 0.000 0.458 511 A N 0.240 123.018 122.820 -0.070 0.000 1.929 511 A HA -0.115 4.205 4.320 -0.001 0.000 0.216 511 A C 2.282 179.823 177.584 -0.072 0.000 1.176 511 A CA 1.501 53.482 52.037 -0.094 0.000 0.628 511 A CB -0.671 18.245 19.000 -0.140 0.000 0.816 511 A HN 0.318 nan 8.150 nan 0.000 0.444 512 S N -0.515 115.155 115.700 -0.050 0.000 2.368 512 S HA -0.229 4.241 4.470 -0.001 0.000 0.225 512 S C 2.027 176.649 174.600 0.037 0.000 1.030 512 S CA 1.802 60.020 58.200 0.030 0.000 0.999 512 S CB -0.319 62.974 63.200 0.154 0.000 0.844 512 S HN 0.673 nan 8.310 nan 0.000 0.459 513 E N 0.205 120.417 120.200 0.020 0.000 2.051 513 E HA -0.084 4.266 4.350 -0.001 0.000 0.192 513 E C 2.154 178.755 176.600 0.002 0.000 0.991 513 E CA 1.023 57.431 56.400 0.013 0.000 0.799 513 E CB -0.411 29.293 29.700 0.006 0.000 0.748 513 E HN 0.605 nan 8.360 nan 0.000 0.449 514 A N 0.797 123.609 122.820 -0.013 0.000 1.898 514 A HA -0.112 4.208 4.320 -0.001 0.000 0.216 514 A C 2.113 179.687 177.584 -0.017 0.000 1.181 514 A CA 1.072 53.098 52.037 -0.019 0.000 0.620 514 A CB -0.506 18.473 19.000 -0.034 0.000 0.819 514 A HN 0.314 nan 8.150 nan 0.000 0.442 515 L N -1.006 120.207 121.223 -0.018 0.000 2.492 515 L HA 0.168 4.508 4.340 -0.001 0.000 0.223 515 L C 1.499 178.373 176.870 0.007 0.000 1.132 515 L CA 0.423 55.255 54.840 -0.012 0.000 0.850 515 L CB -0.413 41.633 42.059 -0.023 0.000 0.966 515 L HN 0.577 nan 8.230 nan 0.000 0.454 516 G N 1.156 109.966 108.800 0.018 0.000 2.314 516 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.292 516 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.292 516 G C -0.224 174.706 174.900 0.050 0.000 1.059 516 G CA 0.147 45.264 45.100 0.029 0.000 0.982 516 G HN 0.140 nan 8.290 nan 0.000 0.505 517 V N 1.902 121.866 119.914 0.084 0.000 2.409 517 V HA 0.524 4.644 4.120 -0.001 0.000 0.290 517 V C -1.646 174.588 176.094 0.234 0.000 1.017 517 V CA -1.382 61.005 62.300 0.144 0.000 0.841 517 V CB 2.333 34.250 31.823 0.158 0.000 1.003 517 V HN 0.309 nan 8.190 nan 0.000 0.426 518 P HA 0.378 nan 4.420 nan 0.000 0.279 518 P C -0.459 176.719 177.300 -0.203 0.000 1.252 518 P CA -0.272 62.857 63.100 0.048 0.000 0.811 518 P CB 1.836 33.534 31.700 -0.004 0.000 1.035 519 V N 0.808 120.458 119.914 -0.441 0.000 2.775 519 V HA 0.152 4.272 4.120 -0.001 0.000 0.299 519 V C 1.302 177.131 176.094 -0.443 0.000 1.062 519 V CA -0.122 61.675 62.300 -0.838 0.000 1.063 519 V CB 1.060 32.533 31.823 -0.582 0.000 0.994 519 V HN 0.447 nan 8.190 nan 0.000 0.483 520 V N 1.764 121.402 119.914 -0.460 0.000 3.426 520 V HA 0.347 4.467 4.120 -0.001 0.000 0.271 520 V C 0.473 176.345 176.094 -0.370 0.000 1.530 520 V CA 1.199 63.285 62.300 -0.357 0.000 1.021 520 V CB 0.781 32.386 31.823 -0.363 0.000 0.824 520 V HN 1.304 nan 8.190 nan 0.000 0.432 521 S N -1.836 113.630 115.700 -0.390 0.000 2.656 521 S HA 0.763 5.233 4.470 -0.001 0.000 0.265 521 S C -0.412 174.050 174.600 -0.231 0.000 1.110 521 S CA 0.073 58.091 58.200 -0.303 0.000 0.821 521 S CB 1.190 64.187 63.200 -0.339 0.000 1.099 521 S HN 1.351 nan 8.310 nan 0.000 0.471 522 G N 0.556 109.267 108.800 -0.147 0.000 2.335 522 G HA2 0.545 4.505 3.960 -0.001 0.000 0.291 522 G HA3 0.545 4.505 3.960 -0.001 0.000 0.291 522 G C -1.826 173.069 174.900 -0.008 0.000 1.261 522 G CA -0.041 45.024 45.100 -0.058 0.000 0.871 522 G HN 1.135 nan 8.290 nan 0.000 0.491 523 N N -2.263 116.470 118.700 0.055 0.000 2.825 523 N HA 0.708 5.447 4.740 -0.001 0.000 0.253 523 N C -1.766 173.826 175.510 0.137 0.000 1.426 523 N CA -0.393 52.730 53.050 0.121 0.000 0.851 523 N CB 2.418 40.948 38.487 0.072 0.000 1.470 523 N HN 0.750 nan 8.380 nan 0.000 0.517 524 V N 0.925 120.906 119.914 0.111 0.000 2.610 524 V HA 0.526 4.646 4.120 -0.001 0.000 0.298 524 V C -1.038 174.950 176.094 -0.176 0.000 1.067 524 V CA -0.786 61.486 62.300 -0.046 0.000 0.894 524 V CB 1.273 33.049 31.823 -0.077 0.000 1.015 524 V HN 0.692 nan 8.190 nan 0.000 0.432 525 S N 6.142 121.796 115.700 -0.077 0.000 2.530 525 S HA 0.821 5.290 4.470 -0.001 0.000 0.322 525 S C -0.719 173.874 174.600 -0.011 0.000 1.085 525 S CA -0.389 57.796 58.200 -0.025 0.000 1.096 525 S CB 0.511 63.720 63.200 0.015 0.000 0.988 525 S HN 0.561 nan 8.310 nan 0.000 0.466 526 L N 3.571 124.810 121.223 0.026 0.000 2.299 526 L HA 0.614 4.954 4.340 -0.001 0.000 0.268 526 L C -0.233 176.735 176.870 0.162 0.000 1.012 526 L CA -1.254 53.567 54.840 -0.031 0.000 0.816 526 L CB 0.383 42.308 42.059 -0.224 0.000 1.355 526 L HN 0.837 nan 8.230 nan 0.000 0.457 527 Y N -0.677 119.679 120.300 0.094 0.000 4.177 527 Y HA -0.244 4.306 4.550 0.000 0.000 0.227 527 Y C 0.322 176.332 175.900 0.183 0.000 1.154 527 Y CA 0.021 58.199 58.100 0.130 0.000 1.887 527 Y CB -2.148 36.389 38.460 0.127 0.000 1.594 527 Y HN 0.524 nan 8.280 nan 0.000 0.668 528 N N 2.739 121.548 118.700 0.182 0.000 2.968 528 N HA 0.183 4.922 4.740 -0.001 0.000 0.271 528 N C 0.120 175.692 175.510 0.103 0.000 1.174 528 N CA 0.556 53.668 53.050 0.104 0.000 1.096 528 N CB 0.233 38.732 38.487 0.021 0.000 1.403 528 N HN 0.757 nan 8.380 nan 0.000 0.522 529 E N -1.144 119.146 120.200 0.150 0.000 2.396 529 E HA 0.443 4.793 4.350 -0.001 0.000 0.280 529 E C -1.583 175.096 176.600 0.132 0.000 1.065 529 E CA -1.028 55.441 56.400 0.116 0.000 0.831 529 E CB 1.120 30.874 29.700 0.091 0.000 1.272 529 E HN 0.108 nan 8.360 nan 0.000 0.443 530 S N -0.159 115.602 115.700 0.102 0.000 2.546 530 S HA 0.621 5.091 4.470 -0.001 0.000 0.272 530 S C 0.623 175.266 174.600 0.072 0.000 1.140 530 S CA -0.309 57.947 58.200 0.094 0.000 0.920 530 S CB 1.245 64.503 63.200 0.096 0.000 1.083 530 S HN 1.754 nan 8.310 nan 0.000 0.476 531 G N 1.225 110.063 108.800 0.063 0.000 2.323 531 G HA2 0.187 4.146 3.960 -0.001 0.000 0.292 531 G HA3 0.187 4.146 3.960 -0.001 0.000 0.292 531 G C 1.380 176.309 174.900 0.047 0.000 1.040 531 G CA 0.772 45.902 45.100 0.050 0.000 0.942 531 G HN 2.590 nan 8.290 nan 0.000 0.506 532 G N -1.017 107.814 108.800 0.051 0.000 2.189 532 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.267 532 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.267 532 G C 0.446 175.371 174.900 0.042 0.000 0.975 532 G CA 1.471 46.598 45.100 0.045 0.000 0.644 532 G HN 1.402 nan 8.290 nan 0.000 0.537 533 K N 0.967 121.395 120.400 0.046 0.000 2.262 533 K HA 0.461 4.781 4.320 -0.001 0.000 0.282 533 K C 0.496 177.118 176.600 0.037 0.000 1.066 533 K CA -0.729 55.582 56.287 0.040 0.000 0.901 533 K CB 0.299 32.826 32.500 0.045 0.000 1.089 533 K HN 0.325 nan 8.250 nan 0.000 0.476 534 R N 4.877 125.388 120.500 0.019 0.000 2.368 534 R HA 0.300 4.640 4.340 -0.001 0.000 0.302 534 R C 0.513 176.790 176.300 -0.038 0.000 1.002 534 R CA -0.767 55.336 56.100 0.005 0.000 0.929 534 R CB 0.784 31.086 30.300 0.002 0.000 1.073 534 R HN 0.649 nan 8.270 nan 0.000 0.464 535 I N -0.183 120.358 120.570 -0.048 0.000 2.938 535 I HA 0.236 4.406 4.170 -0.001 0.000 0.285 535 I C -2.166 173.820 176.117 -0.218 0.000 1.182 535 I CA -2.225 58.979 61.300 -0.160 0.000 1.388 535 I CB 0.053 38.035 38.000 -0.030 0.000 1.390 535 I HN 0.255 nan 8.210 nan 0.000 0.600 536 P HA 0.205 nan 4.420 nan 0.000 0.268 536 P C -2.491 174.713 177.300 -0.160 0.000 1.204 536 P CA -0.743 62.158 63.100 -0.331 0.000 0.768 536 P CB -0.044 31.307 31.700 -0.582 0.000 0.842 537 P HA 0.022 nan 4.420 nan 0.000 0.261 537 P C -0.648 176.630 177.300 -0.037 0.000 1.183 537 P CA 0.819 63.887 63.100 -0.053 0.000 0.761 537 P CB 0.145 31.818 31.700 -0.045 0.000 0.785 538 T N 2.918 117.466 114.554 -0.011 0.000 2.892 538 T HA 0.613 4.963 4.350 -0.001 0.000 0.311 538 T C -0.090 174.599 174.700 -0.019 0.000 1.033 538 T CA -0.390 61.707 62.100 -0.004 0.000 0.991 538 T CB 1.078 69.972 68.868 0.043 0.000 0.981 538 T HN 0.311 nan 8.240 nan 0.000 0.457 542 G N 2.694 111.591 108.800 0.162 0.000 2.368 542 G HA2 0.682 4.641 3.960 -0.001 0.000 0.320 542 G HA3 0.682 4.641 3.960 -0.001 0.000 0.320 542 G C -1.117 173.913 174.900 0.217 0.000 1.158 542 G CA -0.615 44.580 45.100 0.158 0.000 0.912 542 G HN 0.631 nan 8.290 nan 0.000 0.456 543 V N 2.655 122.619 119.914 0.083 0.000 2.540 543 V HA 0.505 4.625 4.120 -0.001 0.000 0.302 543 V C -0.282 175.725 176.094 -0.144 0.000 1.035 543 V CA -0.666 61.664 62.300 0.050 0.000 0.873 543 V CB 1.879 33.728 31.823 0.043 0.000 0.992 543 V HN 0.549 nan 8.190 nan 0.000 0.428 544 V N 3.433 123.173 119.914 -0.291 0.000 2.555 544 V HA 0.962 5.081 4.120 -0.001 0.000 0.302 544 V C 0.518 176.496 176.094 -0.194 0.000 1.038 544 V CA -0.003 62.044 62.300 -0.421 0.000 0.887 544 V CB 1.741 32.983 31.823 -0.969 0.000 0.991 544 V HN 1.030 nan 8.190 nan 0.000 0.434 545 G N 1.893 110.608 108.800 -0.141 0.000 2.725 545 G HA2 0.703 4.662 3.960 -0.001 0.000 0.288 545 G HA3 0.703 4.662 3.960 -0.001 0.000 0.288 545 G C -1.816 173.047 174.900 -0.061 0.000 1.399 545 G CA -0.577 44.480 45.100 -0.071 0.000 0.859 545 G HN 0.701 nan 8.290 nan 0.000 0.479 546 V N 0.049 119.944 119.914 -0.032 0.000 3.074 546 V HA 0.939 5.059 4.120 -0.001 0.000 0.314 546 V C -0.817 175.268 176.094 -0.014 0.000 1.117 546 V CA -0.485 61.803 62.300 -0.021 0.000 1.014 546 V CB 1.862 33.683 31.823 -0.003 0.000 1.057 546 V HN 1.288 nan 8.190 nan 0.000 0.438 547 L N 1.247 122.465 121.223 -0.009 0.000 2.892 547 L HA 0.711 5.050 4.340 -0.001 0.000 0.269 547 L C -1.275 175.594 176.870 -0.002 0.000 1.058 547 L CA -1.002 53.833 54.840 -0.009 0.000 0.923 547 L CB 2.128 44.175 42.059 -0.020 0.000 1.518 547 L HN 0.568 nan 8.230 nan 0.000 0.402 548 E N 0.530 120.725 120.200 -0.009 0.000 2.115 548 E HA 0.262 4.612 4.350 -0.001 0.000 0.282 548 E C 0.683 177.259 176.600 -0.040 0.000 0.987 548 E CA -0.640 55.754 56.400 -0.009 0.000 0.797 548 E CB 2.371 32.066 29.700 -0.009 0.000 1.086 548 E HN 0.512 nan 8.360 nan 0.000 0.397 549 V N 2.748 122.626 119.914 -0.060 0.000 2.527 549 V HA -0.293 3.826 4.120 -0.001 0.000 0.255 549 V C 1.647 177.650 176.094 -0.151 0.000 1.081 549 V CA 2.247 64.463 62.300 -0.141 0.000 1.092 549 V CB -0.474 31.163 31.823 -0.310 0.000 0.673 549 V HN 0.708 nan 8.190 nan 0.000 0.470 550 D N -0.389 119.940 120.400 -0.120 0.000 2.363 550 D HA -0.045 4.595 4.640 -0.001 0.000 0.220 550 D C 1.022 177.280 176.300 -0.070 0.000 0.994 550 D CA 0.632 54.571 54.000 -0.102 0.000 0.890 550 D CB 0.076 40.829 40.800 -0.079 0.000 0.906 550 D HN 0.410 nan 8.370 nan 0.000 0.530 551 K N 0.494 120.859 120.400 -0.058 0.000 3.022 551 K HA 0.232 4.551 4.320 -0.001 0.000 0.178 551 K C -0.455 176.120 176.600 -0.043 0.000 1.089 551 K CA -0.605 55.656 56.287 -0.044 0.000 0.916 551 K CB 1.269 33.748 32.500 -0.035 0.000 1.159 551 K HN -0.115 nan 8.250 nan 0.000 0.592 552 R N 1.260 121.732 120.500 -0.047 0.000 2.832 552 R HA 0.734 5.073 4.340 -0.001 0.000 0.271 552 R C -1.547 174.738 176.300 -0.025 0.000 0.996 552 R CA -0.454 55.622 56.100 -0.040 0.000 0.977 552 R CB 1.922 32.190 30.300 -0.053 0.000 1.168 552 R HN 0.356 nan 8.270 nan 0.000 0.482 553 A N 2.327 125.140 122.820 -0.013 0.000 2.435 553 A HA 0.578 4.897 4.320 -0.001 0.000 0.304 553 A C -0.901 176.691 177.584 0.014 0.000 1.064 553 A CA -0.708 51.332 52.037 0.006 0.000 0.727 553 A CB 1.440 20.448 19.000 0.013 0.000 1.284 553 A HN 0.840 nan 8.150 nan 0.000 0.415 557 F N 1.414 121.404 119.950 0.066 0.000 2.571 557 F HA 0.337 4.863 4.527 -0.001 0.000 0.384 557 F C 1.878 177.666 175.800 -0.020 0.000 1.058 557 F CA -0.348 57.655 58.000 0.006 0.000 1.200 557 F CB 1.280 40.268 39.000 -0.020 0.000 1.077 557 F HN 0.481 nan 8.300 nan 0.000 0.558 558 R N 1.751 122.264 120.500 0.021 0.000 2.237 558 R HA 0.180 4.520 4.340 -0.001 0.000 0.195 558 R C -0.086 176.095 176.300 -0.200 0.000 0.956 558 R CA 0.240 56.142 56.100 -0.330 0.000 1.029 558 R CB 0.472 30.507 30.300 -0.442 0.000 0.972 558 R HN 0.663 nan 8.270 nan 0.000 0.493 559 R N 0.079 120.529 120.500 -0.083 0.000 2.680 559 R HA 0.405 4.745 4.340 -0.001 0.000 0.269 559 R C -3.077 173.179 176.300 -0.074 0.000 1.026 559 R CA -1.951 54.104 56.100 -0.075 0.000 0.889 559 R CB 1.399 31.650 30.300 -0.082 0.000 1.241 559 R HN -0.216 nan 8.270 nan 0.000 0.463 560 P HA 0.138 nan 4.420 nan 0.000 0.277 560 P C 0.300 177.547 177.300 -0.088 0.000 1.240 560 P CA 0.675 63.722 63.100 -0.088 0.000 0.798 560 P CB 1.274 32.937 31.700 -0.061 0.000 0.979 561 G N 0.785 109.522 108.800 -0.105 0.000 2.195 561 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.246 561 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.246 561 G C 0.016 174.858 174.900 -0.097 0.000 0.984 561 G CA -0.227 44.819 45.100 -0.090 0.000 0.633 561 G HN 0.594 nan 8.290 nan 0.000 0.525 562 E N 0.281 120.409 120.200 -0.120 0.000 2.354 562 E HA 0.432 4.782 4.350 -0.001 0.000 0.269 562 E C 0.422 176.936 176.600 -0.143 0.000 1.036 562 E CA -0.480 55.852 56.400 -0.113 0.000 0.876 562 E CB 1.791 31.431 29.700 -0.099 0.000 1.009 562 E HN 0.122 nan 8.360 nan 0.000 0.416 563 V N 3.937 123.775 119.914 -0.127 0.000 2.555 563 V HA 0.028 4.148 4.120 -0.001 0.000 0.286 563 V C -0.099 175.877 176.094 -0.197 0.000 1.044 563 V CA -0.270 61.944 62.300 -0.145 0.000 1.026 563 V CB 0.754 32.505 31.823 -0.121 0.000 0.981 563 V HN 0.420 nan 8.190 nan 0.000 0.480 564 L N 7.189 128.295 121.223 -0.194 0.000 2.280 564 L HA 0.643 4.983 4.340 -0.001 0.000 0.287 564 L C -0.622 176.125 176.870 -0.204 0.000 1.023 564 L CA 0.262 54.985 54.840 -0.196 0.000 0.819 564 L CB 0.837 42.804 42.059 -0.153 0.000 1.212 564 L HN 0.468 nan 8.230 nan 0.000 0.420 565 L N 5.180 126.185 121.223 -0.363 0.000 2.304 565 L HA 0.635 4.975 4.340 -0.001 0.000 0.268 565 L C -0.800 176.005 176.870 -0.108 0.000 1.010 565 L CA -0.593 54.078 54.840 -0.280 0.000 0.813 565 L CB 1.644 43.411 42.059 -0.486 0.000 1.315 565 L HN 0.481 nan 8.230 nan 0.000 0.445 566 L N 2.341 123.605 121.223 0.068 0.000 2.439 566 L HA 0.499 4.839 4.340 -0.001 0.000 0.270 566 L C -1.306 175.699 176.870 0.225 0.000 0.972 566 L CA -0.412 54.514 54.840 0.144 0.000 0.836 566 L CB 1.753 43.863 42.059 0.085 0.000 1.255 566 L HN 0.401 nan 8.230 nan 0.000 0.404 567 I N 4.789 125.507 120.570 0.247 0.000 2.352 567 I HA 0.607 4.777 4.170 -0.001 0.000 0.290 567 I C 0.965 177.161 176.117 0.132 0.000 1.036 567 I CA 0.280 61.707 61.300 0.211 0.000 1.336 567 I CB 0.241 38.330 38.000 0.148 0.000 1.407 567 I HN 0.823 nan 8.210 nan 0.000 0.497 568 G N 6.619 115.489 108.800 0.118 0.000 2.466 568 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.316 568 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.316 568 G C -0.832 174.098 174.900 0.050 0.000 1.270 568 G CA -0.758 44.383 45.100 0.069 0.000 0.982 568 G HN 0.582 nan 8.290 nan 0.000 0.506 569 E N -0.280 119.938 120.200 0.029 0.000 2.235 569 E HA 0.483 4.833 4.350 -0.001 0.000 0.265 569 E C 0.947 177.553 176.600 0.010 0.000 0.940 569 E CA -0.459 55.949 56.400 0.013 0.000 0.819 569 E CB 1.647 31.349 29.700 0.003 0.000 1.206 569 E HN 0.582 nan 8.360 nan 0.000 0.409 570 E N 0.827 121.026 120.200 -0.001 0.000 2.204 570 E HA -0.081 4.269 4.350 -0.001 0.000 0.194 570 E C 0.174 176.768 176.600 -0.010 0.000 0.989 570 E CA 0.643 57.037 56.400 -0.009 0.000 0.824 570 E CB 0.155 29.844 29.700 -0.019 0.000 0.756 570 E HN 0.127 nan 8.360 nan 0.000 0.477 571 R N 1.244 121.742 120.500 -0.004 0.000 2.316 571 R HA 0.236 4.576 4.340 -0.001 0.000 0.314 571 R C 0.051 176.358 176.300 0.012 0.000 1.069 571 R CA -0.115 55.986 56.100 0.002 0.000 0.959 571 R CB 0.971 31.273 30.300 0.003 0.000 0.987 571 R HN 0.037 nan 8.270 nan 0.000 0.446 572 G N 2.132 110.944 108.800 0.019 0.000 2.644 572 G HA2 0.358 4.318 3.960 -0.001 0.000 0.307 572 G HA3 0.358 4.318 3.960 -0.001 0.000 0.307 572 G C -0.955 173.965 174.900 0.034 0.000 1.250 572 G CA -0.599 44.519 45.100 0.031 0.000 0.996 572 G HN 0.530 nan 8.290 nan 0.000 0.489 573 E N -0.705 119.513 120.200 0.031 0.000 2.232 573 E HA 0.386 4.736 4.350 -0.001 0.000 0.265 573 E C 0.423 177.041 176.600 0.030 0.000 1.001 573 E CA -0.701 55.714 56.400 0.025 0.000 0.870 573 E CB 2.381 32.089 29.700 0.012 0.000 1.175 573 E HN 0.254 nan 8.360 nan 0.000 0.407 574 L N 0.587 121.821 121.223 0.019 0.000 2.513 574 L HA 0.203 4.542 4.340 -0.001 0.000 0.222 574 L C 1.215 178.053 176.870 -0.055 0.000 1.096 574 L CA -0.179 54.665 54.840 0.006 0.000 0.857 574 L CB 0.070 42.133 42.059 0.007 0.000 1.026 574 L HN 0.546 nan 8.230 nan 0.000 0.469 575 G N 0.130 108.893 108.800 -0.062 0.000 2.272 575 G HA2 0.250 4.209 3.960 -0.001 0.000 0.247 575 G HA3 0.250 4.209 3.960 -0.001 0.000 0.247 575 G C 1.047 175.902 174.900 -0.075 0.000 1.272 575 G CA 0.317 45.355 45.100 -0.104 0.000 0.921 575 G HN 0.410 nan 8.290 nan 0.000 0.495 576 A N 1.383 124.152 122.820 -0.085 0.000 2.816 576 A HA -0.139 4.181 4.320 -0.001 0.000 0.270 576 A C 1.463 179.138 177.584 0.151 0.000 1.413 576 A CA 1.508 53.576 52.037 0.052 0.000 0.866 576 A CB -2.132 16.939 19.000 0.119 0.000 1.032 576 A HN 2.368 nan 8.150 nan 0.000 0.642 577 S N -1.481 114.271 115.700 0.087 0.000 2.681 577 S HA 0.597 5.067 4.470 -0.001 0.000 0.270 577 S C 0.965 175.645 174.600 0.133 0.000 1.209 577 S CA 0.022 58.303 58.200 0.135 0.000 0.988 577 S CB 0.988 64.250 63.200 0.103 0.000 1.006 577 S HN 0.284 nan 8.310 nan 0.000 0.558 578 E N 0.286 120.571 120.200 0.142 0.000 2.046 578 E HA -0.069 4.281 4.350 -0.001 0.000 0.190 578 E C 2.092 178.785 176.600 0.155 0.000 0.982 578 E CA 0.966 57.466 56.400 0.167 0.000 0.800 578 E CB -0.795 28.995 29.700 0.150 0.000 0.756 578 E HN 0.505 nan 8.360 nan 0.000 0.449 579 V N 1.507 121.481 119.914 0.101 0.000 2.490 579 V HA -0.214 3.905 4.120 -0.001 0.000 0.250 579 V C 2.353 178.473 176.094 0.044 0.000 1.061 579 V CA 1.318 63.638 62.300 0.033 0.000 1.064 579 V CB -0.273 31.572 31.823 0.038 0.000 0.670 579 V HN 0.152 nan 8.190 nan 0.000 0.461 580 L N -0.372 120.888 121.223 0.061 0.000 2.027 580 L HA -0.133 4.207 4.340 -0.001 0.000 0.206 580 L C 2.248 179.169 176.870 0.085 0.000 1.074 580 L CA 2.645 57.499 54.840 0.023 0.000 0.745 580 L CB -1.181 40.820 42.059 -0.097 0.000 0.898 580 L HN 0.525 nan 8.230 nan 0.000 0.433 581 Y N -0.394 119.917 120.300 0.019 0.000 2.181 581 Y HA -0.255 4.294 4.550 -0.001 0.000 0.288 581 Y C 2.346 178.270 175.900 0.040 0.000 1.146 581 Y CA 2.063 60.194 58.100 0.051 0.000 1.164 581 Y CB -0.360 38.142 38.460 0.070 0.000 0.982 581 Y HN 0.304 nan 8.280 nan 0.000 0.515 582 L N -0.190 121.037 121.223 0.007 0.000 2.083 582 L HA -0.153 4.186 4.340 -0.001 0.000 0.209 582 L C 1.831 178.630 176.870 -0.118 0.000 1.083 582 L CA 1.794 56.578 54.840 -0.094 0.000 0.752 582 L CB -0.460 41.586 42.059 -0.022 0.000 0.899 582 L HN 0.328 nan 8.230 nan 0.000 0.433 583 L N -1.545 119.641 121.223 -0.061 0.000 2.477 583 L HA 0.053 4.393 4.340 -0.001 0.000 0.220 583 L C 1.865 178.726 176.870 -0.015 0.000 1.106 583 L CA 1.052 55.871 54.840 -0.034 0.000 0.851 583 L CB -0.514 41.544 42.059 -0.002 0.000 0.994 583 L HN 0.471 nan 8.230 nan 0.000 0.462 584 T N -5.608 108.942 114.554 -0.005 0.000 2.975 584 T HA 0.254 4.604 4.350 -0.001 0.000 0.261 584 T C 1.455 176.142 174.700 -0.021 0.000 0.984 584 T CA 0.521 62.650 62.100 0.048 0.000 0.911 584 T CB 0.944 69.944 68.868 0.220 0.000 1.127 584 T HN 0.280 nan 8.240 nan 0.000 0.514 585 G N 1.744 110.432 108.800 -0.187 0.000 2.168 585 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.263 585 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.263 585 G C -0.067 174.777 174.900 -0.093 0.000 0.977 585 G CA 0.652 45.538 45.100 -0.357 0.000 0.659 585 G HN 0.736 nan 8.290 nan 0.000 0.533 586 K N -0.076 120.410 120.400 0.144 0.000 2.433 586 K HA 0.607 4.927 4.320 -0.001 0.000 0.252 586 K C -0.496 176.379 176.600 0.459 0.000 1.015 586 K CA -0.661 55.836 56.287 0.350 0.000 0.860 586 K CB 1.805 34.503 32.500 0.331 0.000 1.359 586 K HN 0.408 nan 8.250 nan 0.000 0.452 587 E N 1.292 121.753 120.200 0.435 0.000 2.218 587 E HA 0.544 4.894 4.350 -0.001 0.000 0.263 587 E C -1.044 175.781 176.600 0.375 0.000 0.879 587 E CA -0.771 55.807 56.400 0.297 0.000 0.762 587 E CB 0.776 30.615 29.700 0.231 0.000 1.166 587 E HN 0.510 nan 8.360 nan 0.000 0.415 588 F N 0.676 120.696 119.950 0.116 0.000 3.052 588 F HA 0.822 5.348 4.527 -0.001 0.000 0.323 588 F C 0.073 175.926 175.800 0.089 0.000 1.178 588 F CA -0.174 57.880 58.000 0.091 0.000 0.892 588 F CB 0.603 39.650 39.000 0.079 0.000 1.416 588 F HN 0.829 nan 8.300 nan 0.000 0.488 589 G N 0.194 109.153 108.800 0.265 0.000 2.756 589 G HA2 0.041 4.001 3.960 -0.001 0.000 0.678 589 G HA3 0.041 4.001 3.960 -0.001 0.000 0.678 589 G C -1.676 173.289 174.900 0.109 0.000 1.349 589 G CA -0.323 44.863 45.100 0.143 0.000 0.847 589 G HN 1.423 nan 8.290 nan 0.000 0.548 590 H N 1.396 120.489 119.070 0.037 0.000 2.610 590 H HA 0.556 5.110 4.556 -0.002 0.000 0.336 590 H C -1.754 173.542 175.328 -0.053 0.000 1.087 590 H CA -0.480 55.585 56.048 0.028 0.000 1.405 590 H CB 0.939 30.724 29.762 0.038 0.000 1.460 590 H HN 0.419 nan 8.280 nan 0.000 0.538 591 P HA 0.090 nan 4.420 nan 0.000 0.272 591 P C -2.615 174.483 177.300 -0.336 0.000 1.240 591 P CA -1.144 61.654 63.100 -0.504 0.000 0.791 591 P CB 0.190 31.493 31.700 -0.661 0.000 0.978 592 P HA 0.060 nan 4.420 nan 0.000 0.265 592 P C -0.149 177.172 177.300 0.034 0.000 1.193 592 P CA 0.452 63.468 63.100 -0.140 0.000 0.765 592 P CB 0.355 31.952 31.700 -0.173 0.000 0.823 593 R N 1.912 122.455 120.500 0.071 0.000 2.734 593 R HA 0.307 4.647 4.340 -0.001 0.000 0.266 593 R C -0.249 176.053 176.300 0.004 0.000 1.044 593 R CA -0.262 55.869 56.100 0.052 0.000 1.128 593 R CB 0.014 30.325 30.300 0.018 0.000 1.010 593 R HN 0.357 nan 8.270 nan 0.000 0.461 594 L N 1.995 123.166 121.223 -0.087 0.000 2.406 594 L HA 0.234 4.573 4.340 -0.001 0.000 0.270 594 L C -1.185 175.608 176.870 -0.128 0.000 0.982 594 L CA -0.387 54.342 54.840 -0.184 0.000 0.843 594 L CB 1.632 43.407 42.059 -0.472 0.000 1.225 594 L HN 0.469 nan 8.230 nan 0.000 0.412 595 D N 4.947 125.295 120.400 -0.087 0.000 2.428 595 D HA 0.174 4.813 4.640 -0.001 0.000 0.221 595 D C 1.058 177.317 176.300 -0.069 0.000 1.123 595 D CA -0.116 53.847 54.000 -0.062 0.000 0.869 595 D CB 0.875 41.653 40.800 -0.037 0.000 1.032 595 D HN 0.702 nan 8.370 nan 0.000 0.506 596 L N 2.974 124.151 121.223 -0.076 0.000 2.191 596 L HA -0.033 4.306 4.340 -0.001 0.000 0.212 596 L C 2.439 179.280 176.870 -0.048 0.000 1.103 596 L CA 1.212 56.009 54.840 -0.072 0.000 0.769 596 L CB -0.084 41.931 42.059 -0.072 0.000 0.908 596 L HN 0.473 nan 8.230 nan 0.000 0.438 597 G N -0.075 108.703 108.800 -0.038 0.000 2.404 597 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.215 597 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.215 597 G C 1.691 176.577 174.900 -0.023 0.000 1.174 597 G CA 0.716 45.800 45.100 -0.026 0.000 0.780 597 G HN 0.203 nan 8.290 nan 0.000 0.537 598 R N 0.853 121.339 120.500 -0.023 0.000 2.073 598 R HA -0.044 4.295 4.340 -0.001 0.000 0.234 598 R C 2.353 178.641 176.300 -0.020 0.000 1.134 598 R CA 1.880 57.971 56.100 -0.016 0.000 0.952 598 R CB -0.820 29.473 30.300 -0.012 0.000 0.850 598 R HN 0.335 nan 8.270 nan 0.000 0.433 599 E N 0.706 120.887 120.200 -0.032 0.000 2.049 599 E HA -0.253 4.096 4.350 -0.001 0.000 0.198 599 E C 1.805 178.386 176.600 -0.032 0.000 1.007 599 E CA 2.169 58.548 56.400 -0.035 0.000 0.809 599 E CB -0.220 29.447 29.700 -0.056 0.000 0.749 599 E HN 0.404 nan 8.360 nan 0.000 0.450 600 K N -0.592 119.789 120.400 -0.032 0.000 2.026 600 K HA -0.132 4.188 4.320 -0.001 0.000 0.208 600 K C 2.060 178.645 176.600 -0.025 0.000 1.048 600 K CA 1.393 57.663 56.287 -0.028 0.000 0.929 600 K CB -0.337 32.148 32.500 -0.024 0.000 0.713 600 K HN 0.190 nan 8.250 nan 0.000 0.439 601 A N 0.545 123.352 122.820 -0.022 0.000 1.933 601 A HA -0.102 4.217 4.320 -0.001 0.000 0.218 601 A C 2.215 179.783 177.584 -0.025 0.000 1.175 601 A CA 1.628 53.653 52.037 -0.020 0.000 0.628 601 A CB -0.554 18.439 19.000 -0.011 0.000 0.814 601 A HN 0.188 nan 8.150 nan 0.000 0.444 602 V N 0.019 119.920 119.914 -0.023 0.000 2.358 602 V HA -0.284 3.836 4.120 -0.001 0.000 0.246 602 V C 2.612 178.679 176.094 -0.046 0.000 1.047 602 V CA 2.076 64.359 62.300 -0.028 0.000 1.035 602 V CB -0.884 30.931 31.823 -0.013 0.000 0.658 602 V HN 0.618 nan 8.190 nan 0.000 0.452 603 Q N -0.242 119.535 119.800 -0.039 0.000 2.124 603 Q HA -0.242 4.097 4.340 -0.001 0.000 0.202 603 Q C 2.209 178.178 176.000 -0.052 0.000 0.977 603 Q CA 1.722 57.499 55.803 -0.044 0.000 0.850 603 Q CB -0.146 28.572 28.738 -0.033 0.000 0.901 603 Q HN 0.713 nan 8.270 nan 0.000 0.429 604 E N 0.350 120.522 120.200 -0.047 0.000 2.158 604 E HA -0.067 4.282 4.350 -0.001 0.000 0.191 604 E C 1.916 178.475 176.600 -0.069 0.000 0.982 604 E CA 0.604 56.974 56.400 -0.049 0.000 0.823 604 E CB 0.016 29.694 29.700 -0.036 0.000 0.766 604 E HN 0.301 nan 8.360 nan 0.000 0.468 605 A N 1.287 124.060 122.820 -0.078 0.000 1.873 605 A HA -0.164 4.155 4.320 -0.001 0.000 0.215 605 A C 2.168 179.649 177.584 -0.172 0.000 1.186 605 A CA 0.967 52.939 52.037 -0.109 0.000 0.616 605 A CB -0.363 18.578 19.000 -0.098 0.000 0.823 605 A HN 0.210 nan 8.150 nan 0.000 0.442 606 I N -0.153 120.313 120.570 -0.173 0.000 2.315 606 I HA -0.148 4.021 4.170 -0.001 0.000 0.248 606 I C 2.388 178.405 176.117 -0.167 0.000 1.117 606 I CA 1.188 62.352 61.300 -0.227 0.000 1.404 606 I CB -0.402 37.495 38.000 -0.171 0.000 1.071 606 I HN 0.237 nan 8.210 nan 0.000 0.419 607 R N 0.217 120.651 120.500 -0.111 0.000 2.075 607 R HA -0.139 4.201 4.340 -0.001 0.000 0.232 607 R C 1.904 178.154 176.300 -0.085 0.000 1.126 607 R CA 1.578 57.629 56.100 -0.082 0.000 0.963 607 R CB -0.565 29.700 30.300 -0.057 0.000 0.858 607 R HN 0.409 nan 8.270 nan 0.000 0.435 608 D N 0.870 121.215 120.400 -0.091 0.000 2.097 608 D HA -0.151 4.489 4.640 -0.001 0.000 0.195 608 D C 1.929 178.171 176.300 -0.096 0.000 0.989 608 D CA 0.960 54.911 54.000 -0.081 0.000 0.827 608 D CB -0.155 40.599 40.800 -0.077 0.000 0.966 608 D HN 0.003 nan 8.370 nan 0.000 0.456 609 L N 1.069 122.203 121.223 -0.147 0.000 2.043 609 L HA -0.151 4.188 4.340 -0.001 0.000 0.212 609 L C 2.203 179.005 176.870 -0.114 0.000 1.075 609 L CA 1.135 55.871 54.840 -0.172 0.000 0.752 609 L CB -0.642 41.197 42.059 -0.367 0.000 0.891 609 L HN 0.111 nan 8.230 nan 0.000 0.432 610 I N -0.880 119.625 120.570 -0.110 0.000 2.333 610 I HA -0.232 3.938 4.170 -0.001 0.000 0.246 610 I C 2.289 178.378 176.117 -0.047 0.000 1.106 610 I CA 1.156 62.417 61.300 -0.065 0.000 1.411 610 I CB -0.407 37.556 38.000 -0.061 0.000 1.082 610 I HN 0.466 nan 8.210 nan 0.000 0.420 611 Q N 0.069 119.840 119.800 -0.050 0.000 2.167 611 Q HA -0.142 4.197 4.340 -0.001 0.000 0.202 611 Q C 1.762 177.743 176.000 -0.032 0.000 0.970 611 Q CA 1.102 56.883 55.803 -0.037 0.000 0.855 611 Q CB -0.111 28.606 28.738 -0.035 0.000 0.911 611 Q HN 0.464 nan 8.270 nan 0.000 0.438 612 R N -0.256 120.222 120.500 -0.036 0.000 2.319 612 R HA 0.077 4.417 4.340 -0.001 0.000 0.204 612 R C 0.920 177.207 176.300 -0.022 0.000 0.954 612 R CA 0.473 56.556 56.100 -0.028 0.000 1.066 612 R CB 0.203 30.485 30.300 -0.031 0.000 0.991 612 R HN 0.357 nan 8.270 nan 0.000 0.486 613 G N 1.055 109.842 108.800 -0.022 0.000 2.166 613 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.260 613 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.260 613 G C 0.692 175.591 174.900 -0.001 0.000 0.986 613 G CA 0.169 45.260 45.100 -0.014 0.000 0.683 613 G HN 0.336 nan 8.290 nan 0.000 0.527 614 L N -0.688 120.536 121.223 0.001 0.000 2.217 614 L HA 0.221 4.560 4.340 -0.001 0.000 0.211 614 L C 1.493 178.409 176.870 0.076 0.000 1.107 614 L CA 1.640 56.498 54.840 0.030 0.000 0.783 614 L CB 0.201 42.276 42.059 0.026 0.000 0.919 614 L HN 0.406 nan 8.230 nan 0.000 0.442 615 T N -0.964 113.628 114.554 0.064 0.000 2.982 615 T HA 0.402 4.752 4.350 -0.001 0.000 0.321 615 T C -0.069 174.668 174.700 0.062 0.000 1.229 615 T CA -0.765 61.407 62.100 0.120 0.000 1.044 615 T CB 1.413 70.436 68.868 0.258 0.000 1.184 615 T HN 0.349 nan 8.240 nan 0.000 0.477 616 R N 1.330 121.870 120.500 0.067 0.000 2.566 616 R HA 0.377 4.717 4.340 -0.001 0.000 0.388 616 R C -0.186 176.146 176.300 0.053 0.000 0.989 616 R CA -0.584 55.537 56.100 0.035 0.000 1.164 616 R CB 0.446 30.751 30.300 0.007 0.000 1.459 616 R HN 0.452 nan 8.270 nan 0.000 0.553 617 T N -0.064 114.550 114.554 0.100 0.000 3.050 617 T HA 0.738 5.087 4.350 -0.001 0.000 0.310 617 T C -1.415 173.386 174.700 0.168 0.000 0.978 617 T CA -0.281 61.885 62.100 0.110 0.000 1.013 617 T CB 1.421 70.362 68.868 0.122 0.000 1.000 617 T HN 0.349 nan 8.240 nan 0.000 0.447 618 A N 3.815 126.714 122.820 0.130 0.000 2.556 618 A HA 0.849 5.169 4.320 -0.001 0.000 0.294 618 A C -1.348 176.337 177.584 0.169 0.000 1.091 618 A CA -0.702 51.437 52.037 0.170 0.000 0.704 618 A CB 1.623 20.695 19.000 0.120 0.000 1.300 618 A HN 0.994 nan 8.150 nan 0.000 0.406 619 H N 1.134 120.220 119.070 0.027 0.000 3.129 619 H HA 0.246 4.802 4.556 -0.000 0.000 0.342 619 H C -1.689 173.644 175.328 0.009 0.000 1.092 619 H CA -0.546 55.492 56.048 -0.016 0.000 1.310 619 H CB 1.453 31.162 29.762 -0.087 0.000 1.932 619 H HN 0.953 nan 8.280 nan 0.000 0.507 620 D N 3.468 123.718 120.400 -0.250 0.000 2.312 620 D HA 0.135 4.774 4.640 -0.001 0.000 0.248 620 D C -0.182 175.899 176.300 -0.365 0.000 1.086 620 D CA -0.510 53.363 54.000 -0.212 0.000 0.948 620 D CB 2.164 42.903 40.800 -0.103 0.000 1.162 620 D HN 0.122 nan 8.370 nan 0.000 0.446 621 V N 1.084 120.894 119.914 -0.175 0.000 2.334 621 V HA 0.539 4.659 4.120 -0.001 0.000 0.267 621 V C 0.809 176.866 176.094 -0.063 0.000 1.040 621 V CA -0.254 61.967 62.300 -0.132 0.000 0.866 621 V CB -0.222 31.570 31.823 -0.051 0.000 1.019 621 V HN 0.868 nan 8.190 nan 0.000 0.468 622 A N 4.891 127.674 122.820 -0.062 0.000 3.792 622 A HA 0.683 5.003 4.320 -0.001 0.000 0.176 622 A C 0.369 177.975 177.584 0.037 0.000 1.354 622 A CA -0.465 51.572 52.037 0.000 0.000 1.480 622 A CB 0.156 19.150 19.000 -0.011 0.000 1.585 622 A HN 0.668 nan 8.150 nan 0.000 0.640 623 E N 0.091 120.313 120.200 0.037 0.000 2.452 623 E HA 0.340 4.690 4.350 -0.001 0.000 0.261 623 E C 0.770 177.431 176.600 0.102 0.000 0.987 623 E CA 0.647 57.086 56.400 0.064 0.000 0.926 623 E CB 0.002 29.728 29.700 0.043 0.000 0.934 623 E HN 1.875 nan 8.360 nan 0.000 0.452 624 G N 1.481 110.360 108.800 0.132 0.000 2.213 624 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.236 624 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.236 624 G C 0.708 175.735 174.900 0.212 0.000 0.991 624 G CA 0.261 45.464 45.100 0.171 0.000 0.629 624 G HN 1.545 nan 8.290 nan 0.000 0.517 625 G N -1.109 107.773 108.800 0.136 0.000 2.760 625 G HA2 0.094 4.054 3.960 -0.001 0.000 0.246 625 G HA3 0.094 4.054 3.960 -0.001 0.000 0.246 625 G C 0.731 175.647 174.900 0.027 0.000 1.359 625 G CA 0.380 45.535 45.100 0.090 0.000 0.861 625 G HN 1.674 nan 8.290 nan 0.000 0.541 626 L N -0.584 120.624 121.223 -0.025 0.000 2.021 626 L HA -0.047 4.293 4.340 -0.001 0.000 0.215 626 L C 2.757 179.590 176.870 -0.062 0.000 1.074 626 L CA 3.149 57.960 54.840 -0.047 0.000 0.760 626 L CB -0.767 41.253 42.059 -0.065 0.000 0.889 626 L HN 0.668 nan 8.230 nan 0.000 0.433 627 L N -1.249 119.904 121.223 -0.118 0.000 2.056 627 L HA -0.167 4.173 4.340 -0.001 0.000 0.207 627 L C 2.424 179.241 176.870 -0.088 0.000 1.078 627 L CA 1.779 56.544 54.840 -0.126 0.000 0.749 627 L CB -0.914 41.016 42.059 -0.214 0.000 0.901 627 L HN 0.365 nan 8.230 nan 0.000 0.433 628 L N -0.952 120.277 121.223 0.008 0.000 2.046 628 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 628 L C 2.523 179.368 176.870 -0.042 0.000 1.077 628 L CA 1.655 56.496 54.840 0.002 0.000 0.747 628 L CB -0.452 41.666 42.059 0.098 0.000 0.896 628 L HN 0.234 nan 8.230 nan 0.000 0.432 629 A N -0.588 122.227 122.820 -0.007 0.000 1.883 629 A HA -0.237 4.083 4.320 -0.001 0.000 0.217 629 A C 2.164 179.749 177.584 0.001 0.000 1.186 629 A CA 1.969 54.027 52.037 0.035 0.000 0.624 629 A CB -0.942 18.025 19.000 -0.055 0.000 0.822 629 A HN 0.406 nan 8.150 nan 0.000 0.444 630 L N -0.383 120.806 121.223 -0.056 0.000 2.042 630 L HA -0.155 4.184 4.340 -0.001 0.000 0.210 630 L C 2.908 179.633 176.870 -0.241 0.000 1.076 630 L CA 2.075 56.873 54.840 -0.071 0.000 0.749 630 L CB -0.979 41.069 42.059 -0.019 0.000 0.893 630 L HN 0.408 nan 8.230 nan 0.000 0.432 631 A N -1.424 121.185 122.820 -0.350 0.000 1.933 631 A HA -0.135 4.185 4.320 -0.001 0.000 0.218 631 A C 1.360 178.180 177.584 -1.273 0.000 1.175 631 A CA 0.678 52.329 52.037 -0.643 0.000 0.628 631 A CB -0.506 18.180 19.000 -0.522 0.000 0.814 631 A HN 0.506 nan 8.150 nan 0.000 0.444 635 F N 2.798 122.602 119.950 -0.243 0.000 2.113 635 F HA 0.282 4.809 4.527 -0.001 0.000 0.297 635 F C -0.251 175.454 175.800 -0.158 0.000 1.103 635 F CA 0.367 58.225 58.000 -0.236 0.000 1.248 635 F CB -2.313 36.384 39.000 -0.505 0.000 0.999 635 F HN 0.265 nan 8.300 nan 0.000 0.475 636 P HA -0.195 nan 4.420 nan 0.000 0.216 636 P C 0.815 177.860 177.300 -0.426 0.000 1.153 636 P CA 1.892 64.842 63.100 -0.249 0.000 0.858 636 P CB -0.141 31.365 31.700 -0.322 0.000 0.789 637 Y N -3.525 116.801 120.300 0.044 0.000 2.527 637 Y HA 0.423 4.972 4.550 -0.001 0.000 0.247 637 Y C 1.556 177.496 175.900 0.067 0.000 1.138 637 Y CA 0.145 58.276 58.100 0.053 0.000 1.228 637 Y CB 0.083 38.572 38.460 0.047 0.000 1.252 637 Y HN -0.067 nan 8.280 nan 0.000 0.531 638 G N 0.969 109.883 108.800 0.190 0.000 2.160 638 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.251 638 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.251 638 G C -0.360 174.632 174.900 0.154 0.000 1.008 638 G CA 0.320 45.516 45.100 0.159 0.000 0.724 638 G HN 0.133 nan 8.290 nan 0.000 0.514 639 V N 0.720 120.748 119.914 0.189 0.000 2.370 639 V HA 0.707 4.827 4.120 -0.001 0.000 0.279 639 V C 1.285 177.485 176.094 0.177 0.000 1.029 639 V CA 0.102 62.496 62.300 0.156 0.000 0.870 639 V CB 1.182 33.106 31.823 0.168 0.000 0.984 639 V HN 0.614 nan 8.190 nan 0.000 0.451 640 G N 3.408 112.259 108.800 0.085 0.000 2.508 640 G HA2 0.756 4.715 3.960 -0.001 0.000 0.278 640 G HA3 0.756 4.715 3.960 -0.001 0.000 0.278 640 G C -0.399 174.457 174.900 -0.073 0.000 1.389 640 G CA 0.123 45.263 45.100 0.066 0.000 1.050 640 G HN 1.164 nan 8.290 nan 0.000 0.522 641 A N -2.096 120.686 122.820 -0.064 0.000 2.606 641 A HA 0.766 5.086 4.320 -0.001 0.000 0.293 641 A C -0.710 176.831 177.584 -0.071 0.000 1.082 641 A CA -0.485 51.442 52.037 -0.184 0.000 0.685 641 A CB 1.610 20.455 19.000 -0.258 0.000 1.284 641 A HN 0.783 nan 8.150 nan 0.000 0.408 642 T N 1.233 115.730 114.554 -0.095 0.000 2.881 642 T HA 0.644 4.993 4.350 -0.001 0.000 0.291 642 T C -0.366 174.304 174.700 -0.049 0.000 0.990 642 T CA -0.050 62.023 62.100 -0.045 0.000 0.976 642 T CB 0.885 69.725 68.868 -0.047 0.000 0.970 642 T HN 1.835 nan 8.240 nan 0.000 0.438 643 V N 0.397 120.300 119.914 -0.018 0.000 3.181 643 V HA 0.837 4.957 4.120 -0.001 0.000 0.307 643 V C -1.441 174.649 176.094 -0.006 0.000 1.310 643 V CA -1.141 61.148 62.300 -0.019 0.000 1.067 643 V CB 2.383 34.199 31.823 -0.011 0.000 1.081 643 V HN 0.827 nan 8.190 nan 0.000 0.453 644 E N 0.223 120.417 120.200 -0.011 0.000 2.224 644 E HA 0.624 4.974 4.350 -0.001 0.000 0.265 644 E C -2.098 174.495 176.600 -0.011 0.000 0.878 644 E CA -0.717 55.677 56.400 -0.009 0.000 0.759 644 E CB 2.530 32.221 29.700 -0.015 0.000 1.164 644 E HN 0.877 nan 8.360 nan 0.000 0.414 645 V N 6.579 126.487 119.914 -0.010 0.000 2.357 645 V HA 0.328 4.448 4.120 -0.001 0.000 0.284 645 V C 0.851 176.935 176.094 -0.018 0.000 1.018 645 V CA -0.337 61.953 62.300 -0.017 0.000 0.841 645 V CB 1.065 32.873 31.823 -0.025 0.000 0.991 645 V HN 0.821 nan 8.190 nan 0.000 0.437 646 R N 3.495 123.983 120.500 -0.020 0.000 2.237 646 R HA 0.049 4.389 4.340 -0.001 0.000 0.219 646 R C -0.066 176.224 176.300 -0.016 0.000 1.080 646 R CA 0.794 56.883 56.100 -0.018 0.000 0.995 646 R CB 0.272 30.559 30.300 -0.022 0.000 0.875 646 R HN 0.722 nan 8.270 nan 0.000 0.462 647 E N 0.421 120.610 120.200 -0.017 0.000 2.199 647 E HA 0.184 4.534 4.350 -0.001 0.000 0.265 647 E C -0.685 175.907 176.600 -0.014 0.000 0.882 647 E CA -0.502 55.890 56.400 -0.013 0.000 0.759 647 E CB 2.194 31.887 29.700 -0.012 0.000 1.148 647 E HN -0.028 nan 8.360 nan 0.000 0.412 648 E N 1.007 121.206 120.200 -0.003 0.000 2.330 648 E HA 0.602 4.952 4.350 -0.001 0.000 0.256 648 E C 0.094 176.704 176.600 0.016 0.000 1.146 648 E CA -0.161 56.242 56.400 0.004 0.000 0.945 648 E CB 1.554 31.263 29.700 0.015 0.000 1.182 648 E HN 0.715 nan 8.360 nan 0.000 0.480 649 G N 0.155 108.978 108.800 0.038 0.000 2.674 649 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.686 649 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.686 649 G C 0.624 175.572 174.900 0.080 0.000 1.195 649 G CA -0.237 44.900 45.100 0.063 0.000 0.776 649 G HN 0.443 nan 8.290 nan 0.000 0.654 650 L N 0.697 122.011 121.223 0.152 0.000 2.043 650 L HA -0.147 4.193 4.340 -0.001 0.000 0.212 650 L C 2.843 179.814 176.870 0.168 0.000 1.075 650 L CA 2.332 57.330 54.840 0.263 0.000 0.752 650 L CB -0.467 41.751 42.059 0.265 0.000 0.891 650 L HN 0.838 nan 8.230 nan 0.000 0.432 651 E N 0.188 120.449 120.200 0.101 0.000 2.097 651 E HA -0.261 4.089 4.350 -0.001 0.000 0.196 651 E C 2.259 178.875 176.600 0.025 0.000 1.000 651 E CA 1.399 57.839 56.400 0.066 0.000 0.804 651 E CB -0.175 29.553 29.700 0.047 0.000 0.740 651 E HN 0.565 nan 8.360 nan 0.000 0.454 652 A N 0.545 123.360 122.820 -0.009 0.000 1.903 652 A HA -0.027 4.292 4.320 -0.001 0.000 0.213 652 A C 2.108 179.610 177.584 -0.136 0.000 1.185 652 A CA 0.650 52.657 52.037 -0.051 0.000 0.628 652 A CB -0.251 18.723 19.000 -0.043 0.000 0.830 652 A HN 0.095 nan 8.150 nan 0.000 0.446 653 L N -2.594 118.468 121.223 -0.269 0.000 2.209 653 L HA 0.083 4.422 4.340 -0.001 0.000 0.207 653 L C 1.469 177.836 176.870 -0.838 0.000 1.094 653 L CA 0.894 55.348 54.840 -0.643 0.000 0.790 653 L CB -0.155 41.324 42.059 -0.967 0.000 0.932 653 L HN 0.409 nan 8.230 nan 0.000 0.447 654 F N -0.929 119.048 119.950 0.046 0.000 2.831 654 F HA 0.346 4.872 4.527 -0.001 0.000 0.334 654 F C 1.557 177.383 175.800 0.043 0.000 1.071 654 F CA -0.803 57.223 58.000 0.043 0.000 1.172 654 F CB -0.605 38.426 39.000 0.052 0.000 1.054 654 F HN -0.152 nan 8.300 nan 0.000 0.572 655 G N 1.323 110.221 108.800 0.162 0.000 2.559 655 G HA2 0.307 4.267 3.960 -0.001 0.000 0.235 655 G HA3 0.307 4.267 3.960 -0.001 0.000 0.235 655 G C -0.214 174.742 174.900 0.093 0.000 1.266 655 G CA -0.252 44.917 45.100 0.115 0.000 0.847 655 G HN 0.280 nan 8.290 nan 0.000 0.583 656 E N -0.456 119.797 120.200 0.088 0.000 2.202 656 E HA 0.634 4.984 4.350 -0.001 0.000 0.272 656 E C -0.282 176.352 176.600 0.057 0.000 0.951 656 E CA -0.712 55.741 56.400 0.088 0.000 0.813 656 E CB 2.121 31.908 29.700 0.145 0.000 1.151 656 E HN 0.681 nan 8.360 nan 0.000 0.398 657 A N 2.819 125.679 122.820 0.066 0.000 2.565 657 A HA 0.472 4.792 4.320 -0.001 0.000 0.298 657 A C -2.756 174.885 177.584 0.095 0.000 1.062 657 A CA -1.161 50.917 52.037 0.067 0.000 0.723 657 A CB 1.270 20.297 19.000 0.044 0.000 1.282 657 A HN 0.426 nan 8.150 nan 0.000 0.400 658 P HA 0.387 nan 4.420 nan 0.000 0.289 658 P C 0.159 177.494 177.300 0.059 0.000 1.299 658 P CA 0.521 63.704 63.100 0.139 0.000 0.766 658 P CB 0.651 32.471 31.700 0.200 0.000 1.226 659 S N -3.006 112.715 115.700 0.034 0.000 3.476 659 S HA -0.179 4.291 4.470 -0.001 0.000 0.309 659 S C 0.137 174.750 174.600 0.022 0.000 1.222 659 S CA 0.831 59.040 58.200 0.014 0.000 0.922 659 S CB -1.688 61.514 63.200 0.003 0.000 1.023 659 S HN 0.581 nan 8.310 nan 0.000 0.591 660 R N 0.270 120.785 120.500 0.025 0.000 2.387 660 R HA 0.661 5.000 4.340 -0.001 0.000 0.314 660 R C -0.706 175.607 176.300 0.022 0.000 0.958 660 R CA -0.569 55.549 56.100 0.030 0.000 0.846 660 R CB 1.752 32.069 30.300 0.028 0.000 1.147 660 R HN 0.116 nan 8.270 nan 0.000 0.447 661 V N 4.819 124.766 119.914 0.055 0.000 2.709 661 V HA 0.431 4.551 4.120 -0.001 0.000 0.308 661 V C -0.380 175.815 176.094 0.169 0.000 1.062 661 V CA -0.863 61.481 62.300 0.074 0.000 0.901 661 V CB 2.339 34.194 31.823 0.054 0.000 1.003 661 V HN 0.583 nan 8.190 nan 0.000 0.425 662 L N 5.422 126.745 121.223 0.166 0.000 2.309 662 L HA 0.792 5.132 4.340 -0.001 0.000 0.282 662 L C -0.684 176.389 176.870 0.338 0.000 1.036 662 L CA -0.387 54.582 54.840 0.214 0.000 0.806 662 L CB 1.458 43.603 42.059 0.143 0.000 1.220 662 L HN 0.794 nan 8.230 nan 0.000 0.429 663 F N 0.021 120.021 119.950 0.084 0.000 2.693 663 F HA 0.718 5.245 4.527 -0.001 0.000 0.309 663 F C -0.715 175.136 175.800 0.085 0.000 1.129 663 F CA -0.786 57.262 58.000 0.080 0.000 0.948 663 F CB 1.752 40.774 39.000 0.037 0.000 1.315 663 F HN 0.393 nan 8.300 nan 0.000 0.447 664 T N 0.646 115.223 114.554 0.038 0.000 2.887 664 T HA 0.801 5.151 4.350 -0.001 0.000 0.288 664 T C -0.810 173.888 174.700 -0.003 0.000 1.021 664 T CA -0.278 61.765 62.100 -0.095 0.000 1.000 664 T CB 1.505 70.383 68.868 0.018 0.000 1.034 664 T HN 1.657 nan 8.240 nan 0.000 0.467 665 V N -0.539 119.328 119.914 -0.078 0.000 3.074 665 V HA 0.732 4.852 4.120 -0.001 0.000 0.314 665 V C -0.185 175.893 176.094 -0.027 0.000 1.117 665 V CA -1.161 61.141 62.300 0.002 0.000 1.014 665 V CB 1.828 33.658 31.823 0.012 0.000 1.057 665 V HN 1.067 nan 8.190 nan 0.000 0.438 666 E N 1.408 121.602 120.200 -0.010 0.000 2.313 666 E HA 0.178 4.528 4.350 -0.001 0.000 0.276 666 E C 0.822 177.405 176.600 -0.028 0.000 1.031 666 E CA -0.037 56.349 56.400 -0.024 0.000 0.857 666 E CB 1.524 31.214 29.700 -0.017 0.000 1.040 666 E HN 0.835 nan 8.360 nan 0.000 0.408 667 K N 1.954 122.331 120.400 -0.038 0.000 2.108 667 K HA -0.280 4.040 4.320 -0.001 0.000 0.219 667 K C 1.424 178.008 176.600 -0.026 0.000 1.054 667 K CA 2.695 58.960 56.287 -0.036 0.000 0.945 667 K CB -0.341 32.138 32.500 -0.036 0.000 0.728 667 K HN 0.626 nan 8.250 nan 0.000 0.462 668 T N -1.522 113.020 114.554 -0.020 0.000 3.317 668 T HA 0.136 4.485 4.350 -0.001 0.000 0.250 668 T C 0.949 175.643 174.700 -0.011 0.000 1.106 668 T CA -0.085 62.006 62.100 -0.015 0.000 0.986 668 T CB 0.101 68.961 68.868 -0.014 0.000 1.010 668 T HN 0.152 nan 8.240 nan 0.000 0.560 669 R N -0.568 119.926 120.500 -0.010 0.000 2.531 669 R HA 0.329 4.669 4.340 -0.001 0.000 0.316 669 R C 1.493 177.793 176.300 -0.001 0.000 0.955 669 R CA -0.242 55.857 56.100 -0.002 0.000 1.120 669 R CB -0.322 29.981 30.300 0.006 0.000 1.361 669 R HN 0.310 nan 8.270 nan 0.000 0.534 670 L N 2.102 123.318 121.223 -0.012 0.000 2.013 670 L HA -0.187 4.152 4.340 -0.001 0.000 0.212 670 L C 2.357 179.217 176.870 -0.017 0.000 1.073 670 L CA 2.070 56.898 54.840 -0.020 0.000 0.753 670 L CB -0.515 41.528 42.059 -0.026 0.000 0.890 670 L HN 0.190 nan 8.230 nan 0.000 0.432 671 Q N -0.651 119.144 119.800 -0.009 0.000 2.096 671 Q HA -0.254 4.085 4.340 -0.001 0.000 0.204 671 Q C 2.014 178.006 176.000 -0.013 0.000 0.982 671 Q CA 2.155 57.955 55.803 -0.006 0.000 0.850 671 Q CB -0.077 28.661 28.738 0.000 0.000 0.901 671 Q HN 0.711 nan 8.270 nan 0.000 0.422 672 E N -0.189 120.005 120.200 -0.010 0.000 2.150 672 E HA -0.141 4.209 4.350 -0.001 0.000 0.193 672 E C 1.841 178.429 176.600 -0.020 0.000 0.985 672 E CA 0.824 57.217 56.400 -0.012 0.000 0.814 672 E CB -0.057 29.639 29.700 -0.007 0.000 0.752 672 E HN 0.431 nan 8.360 nan 0.000 0.466 673 A N 1.291 124.105 122.820 -0.009 0.000 1.897 673 A HA -0.157 4.163 4.320 -0.001 0.000 0.215 673 A C 2.479 180.013 177.584 -0.084 0.000 1.181 673 A CA 1.894 53.935 52.037 0.007 0.000 0.620 673 A CB -0.998 18.076 19.000 0.125 0.000 0.821 673 A HN 0.373 nan 8.150 nan 0.000 0.443 674 T N -2.089 112.378 114.554 -0.145 0.000 2.915 674 T HA -0.040 4.309 4.350 -0.001 0.000 0.269 674 T C 1.797 176.391 174.700 -0.176 0.000 1.071 674 T CA 1.152 63.053 62.100 -0.332 0.000 1.132 674 T CB -0.305 68.434 68.868 -0.215 0.000 0.878 674 T HN 0.157 nan 8.240 nan 0.000 0.479 675 L N 0.684 121.863 121.223 -0.072 0.000 2.056 675 L HA 0.181 4.521 4.340 -0.001 0.000 0.207 675 L C 2.341 179.190 176.870 -0.034 0.000 1.078 675 L CA 1.493 56.317 54.840 -0.026 0.000 0.749 675 L CB -1.033 41.018 42.059 -0.013 0.000 0.901 675 L HN 0.410 nan 8.230 nan 0.000 0.433 676 L N -0.459 120.730 121.223 -0.056 0.000 1.994 676 L HA -0.250 4.090 4.340 -0.001 0.000 0.208 676 L C 2.562 179.398 176.870 -0.057 0.000 1.071 676 L CA 1.405 56.212 54.840 -0.054 0.000 0.745 676 L CB -0.183 41.836 42.059 -0.066 0.000 0.892 676 L HN 0.207 nan 8.230 nan 0.000 0.431 677 L N -0.373 120.790 121.223 -0.100 0.000 2.083 677 L HA -0.235 4.104 4.340 -0.001 0.000 0.209 677 L C 2.491 179.380 176.870 0.030 0.000 1.083 677 L CA 1.503 56.303 54.840 -0.067 0.000 0.752 677 L CB -0.607 41.343 42.059 -0.181 0.000 0.899 677 L HN 0.356 nan 8.230 nan 0.000 0.433 678 E N 0.147 120.374 120.200 0.044 0.000 2.106 678 E HA -0.208 4.142 4.350 -0.001 0.000 0.192 678 E C 1.990 178.625 176.600 0.058 0.000 0.984 678 E CA 1.012 57.478 56.400 0.111 0.000 0.806 678 E CB 0.061 29.836 29.700 0.126 0.000 0.750 678 E HN 0.482 nan 8.360 nan 0.000 0.458 679 E N 0.016 120.231 120.200 0.026 0.000 2.409 679 E HA -0.100 4.250 4.350 -0.001 0.000 0.198 679 E C 1.393 178.000 176.600 0.012 0.000 1.024 679 E CA 0.331 56.740 56.400 0.015 0.000 0.861 679 E CB 0.232 29.933 29.700 0.002 0.000 0.788 679 E HN 0.033 nan 8.360 nan 0.000 0.521 680 R N -0.407 120.101 120.500 0.014 0.000 2.362 680 R HA 0.101 4.441 4.340 -0.001 0.000 0.227 680 R C 0.988 177.303 176.300 0.024 0.000 0.905 680 R CA 0.519 56.625 56.100 0.010 0.000 1.067 680 R CB 0.346 30.645 30.300 -0.002 0.000 1.078 680 R HN 0.209 nan 8.270 nan 0.000 0.516 681 G N 1.898 110.722 108.800 0.040 0.000 2.249 681 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.273 681 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.273 681 G C -0.066 174.868 174.900 0.056 0.000 1.036 681 G CA 0.191 45.319 45.100 0.046 0.000 0.824 681 G HN 0.219 nan 8.290 nan 0.000 0.504 682 L N 0.198 121.472 121.223 0.086 0.000 2.295 682 L HA 0.411 4.750 4.340 -0.001 0.000 0.285 682 L C -1.842 175.125 176.870 0.162 0.000 1.035 682 L CA -2.239 52.661 54.840 0.100 0.000 0.806 682 L CB 1.589 43.700 42.059 0.087 0.000 1.214 682 L HN -0.100 nan 8.230 nan 0.000 0.426 683 P HA 0.164 nan 4.420 nan 0.000 0.271 683 P C -1.465 175.929 177.300 0.156 0.000 1.216 683 P CA 0.173 63.313 63.100 0.066 0.000 0.776 683 P CB 0.437 32.151 31.700 0.023 0.000 0.881 684 Y N -0.236 120.085 120.300 0.033 0.000 2.689 684 Y HA 0.750 5.300 4.550 -0.001 0.000 0.333 684 Y C -1.245 174.672 175.900 0.028 0.000 1.208 684 Y CA -1.300 56.829 58.100 0.048 0.000 1.055 684 Y CB 1.476 39.983 38.460 0.078 0.000 1.304 684 Y HN 0.179 nan 8.280 nan 0.000 0.455 685 R N 0.918 121.543 120.500 0.208 0.000 2.643 685 R HA 0.584 4.923 4.340 -0.001 0.000 0.269 685 R C -2.084 174.306 176.300 0.151 0.000 1.037 685 R CA -1.195 54.945 56.100 0.066 0.000 0.894 685 R CB 2.805 33.100 30.300 -0.008 0.000 1.238 685 R HN 0.631 nan 8.270 nan 0.000 0.459 686 V N 5.094 125.065 119.914 0.095 0.000 2.284 686 V HA 0.142 4.261 4.120 -0.001 0.000 0.260 686 V C 1.543 177.634 176.094 -0.005 0.000 1.084 686 V CA -0.077 62.248 62.300 0.042 0.000 0.894 686 V CB 0.663 32.515 31.823 0.049 0.000 1.119 686 V HN 0.695 nan 8.190 nan 0.000 0.484 687 L N 3.287 124.498 121.223 -0.021 0.000 2.056 687 L HA 0.234 4.574 4.340 -0.001 0.000 0.207 687 L C 1.436 178.282 176.870 -0.040 0.000 1.078 687 L CA 1.548 56.372 54.840 -0.025 0.000 0.749 687 L CB -0.329 41.719 42.059 -0.018 0.000 0.901 687 L HN 0.797 nan 8.230 nan 0.000 0.433 688 G N -0.544 108.218 108.800 -0.064 0.000 2.566 688 G HA2 0.194 4.154 3.960 -0.001 0.000 0.138 688 G HA3 0.194 4.154 3.960 -0.001 0.000 0.138 688 G C -1.642 173.189 174.900 -0.115 0.000 1.133 688 G CA -0.134 44.920 45.100 -0.077 0.000 1.037 688 G HN 0.247 nan 8.290 nan 0.000 0.491 689 E N -0.954 119.162 120.200 -0.141 0.000 2.446 689 E HA 0.664 5.014 4.350 -0.001 0.000 0.276 689 E C -0.387 176.044 176.600 -0.282 0.000 0.969 689 E CA -0.516 55.770 56.400 -0.190 0.000 0.800 689 E CB 1.773 31.390 29.700 -0.139 0.000 1.341 689 E HN 0.746 nan 8.360 nan 0.000 0.460 690 T N -1.768 112.572 114.554 -0.357 0.000 2.881 690 T HA 0.751 5.100 4.350 -0.001 0.000 0.278 690 T C 0.643 175.187 174.700 -0.260 0.000 0.982 690 T CA 0.001 61.810 62.100 -0.485 0.000 0.989 690 T CB 1.105 69.604 68.868 -0.614 0.000 1.058 690 T HN 1.271 nan 8.240 nan 0.000 0.529 691 G N -1.438 107.236 108.800 -0.209 0.000 2.428 691 G HA2 0.526 4.486 3.960 -0.001 0.000 0.681 691 G HA3 0.526 4.486 3.960 -0.001 0.000 0.681 691 G C 0.016 174.883 174.900 -0.055 0.000 1.340 691 G CA -0.103 44.937 45.100 -0.100 0.000 0.915 691 G HN 2.483 nan 8.290 nan 0.000 0.645 692 G N -0.423 108.366 108.800 -0.019 0.000 2.796 692 G HA2 0.241 4.200 3.960 -0.001 0.000 0.571 692 G HA3 0.241 4.200 3.960 -0.001 0.000 0.571 692 G C -0.048 174.871 174.900 0.031 0.000 1.370 692 G CA 0.404 45.507 45.100 0.004 0.000 0.856 692 G HN 1.488 nan 8.290 nan 0.000 0.538 693 K N 0.466 120.892 120.400 0.043 0.000 2.832 693 K HA 0.609 4.929 4.320 -0.001 0.000 0.211 693 K C 0.142 176.791 176.600 0.081 0.000 1.112 693 K CA 0.332 56.658 56.287 0.065 0.000 1.108 693 K CB 0.862 33.399 32.500 0.062 0.000 0.899 693 K HN 0.556 nan 8.250 nan 0.000 0.464 694 S N 0.095 115.842 115.700 0.079 0.000 2.579 694 S HA 0.468 4.938 4.470 -0.001 0.000 0.272 694 S C -1.995 172.674 174.600 0.116 0.000 1.141 694 S CA -0.881 57.384 58.200 0.109 0.000 0.843 694 S CB 1.500 64.754 63.200 0.090 0.000 1.122 694 S HN 0.178 nan 8.310 nan 0.000 0.468 695 L N 2.444 123.779 121.223 0.186 0.000 2.280 695 L HA 0.715 5.054 4.340 -0.001 0.000 0.287 695 L C -0.819 176.209 176.870 0.264 0.000 1.023 695 L CA 0.448 55.406 54.840 0.197 0.000 0.819 695 L CB 0.936 43.112 42.059 0.194 0.000 1.212 695 L HN 0.625 nan 8.230 nan 0.000 0.420 696 T N 4.763 119.410 114.554 0.156 0.000 2.812 696 T HA 0.631 4.981 4.350 -0.001 0.000 0.282 696 T C -0.837 173.924 174.700 0.102 0.000 0.990 696 T CA -0.414 61.753 62.100 0.112 0.000 0.960 696 T CB 1.485 70.379 68.868 0.042 0.000 0.948 696 T HN 0.330 nan 8.240 nan 0.000 0.438 697 V N 4.537 124.517 119.914 0.110 0.000 2.407 697 V HA 0.430 4.549 4.120 -0.001 0.000 0.291 697 V C -0.457 175.655 176.094 0.030 0.000 1.018 697 V CA -0.918 61.435 62.300 0.088 0.000 0.842 697 V CB 1.503 33.426 31.823 0.166 0.000 0.996 697 V HN 0.707 nan 8.190 nan 0.000 0.426 698 L N 6.221 127.451 121.223 0.011 0.000 2.305 698 L HA 0.788 5.128 4.340 -0.001 0.000 0.281 698 L C 0.487 177.355 176.870 -0.003 0.000 1.085 698 L CA 0.865 55.703 54.840 -0.005 0.000 0.813 698 L CB 1.467 43.520 42.059 -0.010 0.000 1.157 698 L HN 0.914 nan 8.230 nan 0.000 0.436 699 T N 1.442 115.992 114.554 -0.007 0.000 2.907 699 T HA 0.582 4.932 4.350 -0.001 0.000 0.290 699 T C -2.192 172.503 174.700 -0.008 0.000 1.066 699 T CA -1.706 60.391 62.100 -0.006 0.000 1.012 699 T CB 1.435 70.302 68.868 -0.001 0.000 1.184 699 T HN 0.398 nan 8.240 nan 0.000 0.522 700 P HA 0.149 nan 4.420 nan 0.000 0.228 700 P C 1.169 178.465 177.300 -0.006 0.000 1.151 700 P CA 0.647 63.743 63.100 -0.007 0.000 0.770 700 P CB -0.180 31.517 31.700 -0.005 0.000 0.786 701 G N -1.863 106.935 108.800 -0.005 0.000 3.393 701 G HA2 0.505 4.464 3.960 -0.001 0.000 0.255 701 G HA3 0.505 4.464 3.960 -0.001 0.000 0.255 701 G C 0.432 175.325 174.900 -0.011 0.000 1.097 701 G CA 0.247 45.344 45.100 -0.004 0.000 0.780 701 G HN 0.507 nan 8.290 nan 0.000 0.540 702 G N -1.270 107.521 108.800 -0.016 0.000 2.353 702 G HA2 0.202 4.162 3.960 -0.001 0.000 0.424 702 G HA3 0.202 4.162 3.960 -0.001 0.000 0.424 702 G C -1.353 173.527 174.900 -0.033 0.000 1.320 702 G CA -0.469 44.616 45.100 -0.026 0.000 0.995 702 G HN 0.581 nan 8.290 nan 0.000 0.580 703 V N 0.865 120.751 119.914 -0.048 0.000 2.407 703 V HA 0.584 4.703 4.120 -0.001 0.000 0.278 703 V C 0.666 176.691 176.094 -0.114 0.000 1.037 703 V CA -0.468 61.795 62.300 -0.061 0.000 0.900 703 V CB 1.122 32.912 31.823 -0.054 0.000 0.983 703 V HN 0.627 nan 8.190 nan 0.000 0.459 704 L N 4.838 125.979 121.223 -0.137 0.000 2.309 704 L HA 0.685 5.024 4.340 -0.001 0.000 0.282 704 L C -0.063 176.560 176.870 -0.412 0.000 1.036 704 L CA -0.137 54.505 54.840 -0.330 0.000 0.806 704 L CB 1.546 43.455 42.059 -0.250 0.000 1.220 704 L HN 0.703 nan 8.230 nan 0.000 0.429 705 E N 2.870 122.655 120.200 -0.691 0.000 2.343 705 E HA 0.448 4.798 4.350 -0.001 0.000 0.278 705 E C -2.101 174.193 176.600 -0.511 0.000 0.910 705 E CA -0.654 55.506 56.400 -0.400 0.000 0.757 705 E CB 1.862 31.457 29.700 -0.175 0.000 1.218 705 E HN 0.410 nan 8.360 nan 0.000 0.435 706 W N 2.263 123.589 121.300 0.042 0.000 3.138 706 W HA 0.291 4.951 4.660 -0.001 0.000 0.331 706 W C -0.305 176.246 176.519 0.053 0.000 1.166 706 W CA -0.891 56.487 57.345 0.055 0.000 1.212 706 W CB 1.999 31.501 29.460 0.070 0.000 1.399 706 W HN 0.626 nan 8.180 nan 0.000 0.514 707 S N 1.060 116.931 115.700 0.285 0.000 2.601 707 S HA 0.326 4.795 4.470 -0.001 0.000 0.271 707 S C 0.922 175.644 174.600 0.204 0.000 1.305 707 S CA -0.641 57.673 58.200 0.190 0.000 1.022 707 S CB 1.283 64.566 63.200 0.139 0.000 0.940 707 S HN 0.474 nan 8.310 nan 0.000 0.525 708 L N 0.728 122.050 121.223 0.164 0.000 2.191 708 L HA -0.091 4.248 4.340 -0.001 0.000 0.212 708 L C 2.702 179.684 176.870 0.187 0.000 1.103 708 L CA 1.290 56.235 54.840 0.175 0.000 0.769 708 L CB -0.784 41.366 42.059 0.151 0.000 0.908 708 L HN 0.821 nan 8.230 nan 0.000 0.438 709 E N 0.643 120.932 120.200 0.149 0.000 2.031 709 E HA -0.259 4.091 4.350 -0.001 0.000 0.193 709 E C 2.049 178.728 176.600 0.133 0.000 0.994 709 E CA 1.729 58.204 56.400 0.125 0.000 0.800 709 E CB -0.014 29.745 29.700 0.098 0.000 0.752 709 E HN 0.632 nan 8.360 nan 0.000 0.447 710 E N 0.810 121.102 120.200 0.153 0.000 2.153 710 E HA -0.194 4.155 4.350 -0.001 0.000 0.194 710 E C 2.177 178.880 176.600 0.172 0.000 0.988 710 E CA 0.848 57.344 56.400 0.160 0.000 0.811 710 E CB -0.323 29.494 29.700 0.195 0.000 0.746 710 E HN 0.246 nan 8.360 nan 0.000 0.466 711 L N 0.158 121.501 121.223 0.200 0.000 2.027 711 L HA -0.135 4.205 4.340 -0.001 0.000 0.206 711 L C 2.655 179.677 176.870 0.253 0.000 1.074 711 L CA 0.605 55.578 54.840 0.222 0.000 0.745 711 L CB -0.418 41.779 42.059 0.230 0.000 0.898 711 L HN 0.180 nan 8.230 nan 0.000 0.433 712 L N 0.096 121.448 121.223 0.215 0.000 2.012 712 L HA -0.234 4.106 4.340 -0.001 0.000 0.210 712 L C 2.853 179.728 176.870 0.009 0.000 1.073 712 L CA 2.325 57.144 54.840 -0.034 0.000 0.748 712 L CB -0.579 41.508 42.059 0.047 0.000 0.891 712 L HN 0.394 nan 8.230 nan 0.000 0.431 713 S N -0.888 114.846 115.700 0.056 0.000 2.402 713 S HA -0.082 4.388 4.470 -0.001 0.000 0.229 713 S C 2.097 176.724 174.600 0.045 0.000 1.021 713 S CA 0.735 58.958 58.200 0.038 0.000 0.974 713 S CB -0.923 62.303 63.200 0.043 0.000 0.800 713 S HN 0.484 nan 8.310 nan 0.000 0.484 714 A N 0.679 123.551 122.820 0.087 0.000 1.930 714 A HA -0.003 4.316 4.320 -0.001 0.000 0.217 714 A C 1.886 179.542 177.584 0.119 0.000 1.175 714 A CA 1.259 53.353 52.037 0.095 0.000 0.627 714 A CB -1.236 17.836 19.000 0.119 0.000 0.815 714 A HN 0.812 nan 8.150 nan 0.000 0.443 715 W N 0.352 121.590 121.300 -0.103 0.000 2.518 715 W HA 0.041 4.701 4.660 -0.001 0.000 0.273 715 W C 1.951 178.362 176.519 -0.180 0.000 1.247 715 W CA 1.433 58.690 57.345 -0.147 0.000 1.288 715 W CB 0.236 29.520 29.460 -0.293 0.000 1.107 715 W HN 0.101 nan 8.180 nan 0.000 0.586 716 K N 0.525 120.844 120.400 -0.136 0.000 2.137 716 K HA 0.028 4.347 4.320 -0.001 0.000 0.202 716 K C 1.998 178.458 176.600 -0.234 0.000 1.052 716 K CA 1.243 57.355 56.287 -0.291 0.000 0.961 716 K CB -0.492 31.921 32.500 -0.146 0.000 0.741 716 K HN 0.174 nan 8.250 nan 0.000 0.452 717 A N 1.817 124.554 122.820 -0.139 0.000 1.873 717 A HA -0.036 4.283 4.320 -0.001 0.000 0.215 717 A C -0.816 176.693 177.584 -0.125 0.000 1.186 717 A CA 0.725 52.695 52.037 -0.112 0.000 0.616 717 A CB -1.407 17.554 19.000 -0.065 0.000 0.823 717 A HN 0.192 nan 8.150 nan 0.000 0.442 718 P HA -0.231 nan 4.420 nan 0.000 0.210 718 P C 1.444 178.653 177.300 -0.150 0.000 1.151 718 P CA 1.342 64.362 63.100 -0.134 0.000 0.949 718 P CB -0.193 31.430 31.700 -0.129 0.000 0.786 719 L N -1.740 119.384 121.223 -0.165 0.000 2.201 719 L HA -0.100 4.240 4.340 -0.001 0.000 0.212 719 L C 2.809 179.605 176.870 -0.124 0.000 1.105 719 L CA 1.065 55.827 54.840 -0.130 0.000 0.775 719 L CB -0.549 41.449 42.059 -0.102 0.000 0.913 719 L HN -0.055 nan 8.230 nan 0.000 0.440 720 R N 0.840 121.254 120.500 -0.144 0.000 2.081 720 R HA -0.189 4.151 4.340 -0.001 0.000 0.235 720 R C 2.197 178.437 176.300 -0.099 0.000 1.131 720 R CA 1.819 57.843 56.100 -0.125 0.000 0.960 720 R CB -0.025 30.197 30.300 -0.131 0.000 0.856 720 R HN 0.550 nan 8.270 nan 0.000 0.436 721 E N -0.314 119.829 120.200 -0.096 0.000 2.112 721 E HA -0.100 4.250 4.350 -0.001 0.000 0.190 721 E C 1.999 178.551 176.600 -0.079 0.000 0.979 721 E CA 1.112 57.465 56.400 -0.079 0.000 0.814 721 E CB -0.255 29.401 29.700 -0.073 0.000 0.762 721 E HN 0.147 nan 8.360 nan 0.000 0.460 722 V N 2.081 121.937 119.914 -0.096 0.000 2.287 722 V HA -0.241 3.878 4.120 -0.001 0.000 0.248 722 V C 2.393 178.445 176.094 -0.070 0.000 1.053 722 V CA 1.513 63.755 62.300 -0.098 0.000 1.027 722 V CB -0.441 31.294 31.823 -0.147 0.000 0.646 722 V HN 0.330 nan 8.190 nan 0.000 0.447 723 L N -0.513 120.670 121.223 -0.067 0.000 2.179 723 L HA 0.012 4.351 4.340 -0.001 0.000 0.208 723 L C 0.722 177.552 176.870 -0.065 0.000 1.096 723 L CA 1.473 56.276 54.840 -0.063 0.000 0.779 723 L CB -0.058 41.957 42.059 -0.074 0.000 0.922 723 L HN 0.411 nan 8.230 nan 0.000 0.443 724 D N 0.253 120.613 120.400 -0.067 0.000 2.891 724 D HA 0.330 4.970 4.640 -0.001 0.000 0.312 724 D C 0.244 176.514 176.300 -0.049 0.000 1.354 724 D CA 0.171 54.136 54.000 -0.058 0.000 0.838 724 D CB 1.067 41.828 40.800 -0.064 0.000 1.117 724 D HN 0.267 nan 8.370 nan 0.000 0.473 725 G N 0.000 108.773 108.800 -0.046 0.000 5.446 725 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 725 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 725 G CA 0.000 45.076 45.100 -0.039 0.000 0.502 725 G HN 0.000 nan 8.290 nan 0.000 0.925