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 1vr5_1_B DATA FIRST_RESID 0 DATA SEQUENCE HXXXXXXXXX XXXXXXXXXX XXXERNKTLY WGGALWSPPS NWNPFTPWNA DATA SEQUENCE VAGTIGLVYE PLFLYDPLND KFEPWLAEKG EWVSNNEYVL TLRKGLRWQD DATA SEQUENCE GVPLTADDVV FTFEIAKKYT GISYSPVWNW LGRIERVDER TLKFVFSDPR DATA SEQUENCE YQEWKQXLIN TPIVPKHIWE NKTEEEVLQA ANENPVGSGP YYVESWADDR DATA SEQUENCE CVFKKNGNWW GIRELGYDPK PERIVELRVL SNNVAVGXLX KGELDWSNFF DATA SEQUENCE LPGVPVLKKA YGIVTWYENA PYXLPANTAG IYINVNKYPL SIPEFRRAXA DATA SEQUENCE YAINPEKIVT RAYENXVTAA NPAGILPLPG YXKYYPKEVV DKYGFKYDPE DATA SEQUENCE XAKKILDELG FKDVNKDGFR EDPNGKPFKL TIECPYGWTD WXVSIQSIAE DATA SEQUENCE DLVKVGINVE PKYPDYSKYA DDLYGGKFDL ILNNFTTGVS ATIWSYFNGV DATA SEQUENCE FYPDAVESEY SYSGNFGKYA NPEVETLLDE LNRSNDDAKI KEVVAKLSEI DATA SEQUENCE LLKDLPFIPL WYNGAWFQAS EAVWTNWPTE KNPYAVPIGW NGWWQLTGIK DATA SEQUENCE TLFGIEAK 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.412 175.328 0.140 0.000 0.993 0 H CA 0.000 56.121 56.048 0.122 0.000 1.023 0 H CB 0.000 29.850 29.762 0.146 0.000 1.292 24 R N 2.557 123.169 120.500 0.187 0.000 2.083 24 R HA -0.144 4.196 4.340 -0.000 0.000 0.237 24 R C 1.484 177.900 176.300 0.193 0.000 1.137 24 R CA 2.782 59.024 56.100 0.236 0.000 0.951 24 R CB -0.303 30.096 30.300 0.165 0.000 0.851 24 R HN 0.607 nan 8.270 nan 0.000 0.434 25 N N 0.172 118.906 118.700 0.057 0.000 2.515 25 N HA -0.068 4.672 4.740 -0.000 0.000 0.191 25 N C 0.161 175.619 175.510 -0.087 0.000 1.182 25 N CA 0.718 53.698 53.050 -0.117 0.000 0.879 25 N CB 0.092 38.470 38.487 -0.181 0.000 0.984 25 N HN 0.335 nan 8.380 nan 0.000 0.453 26 K N -0.889 119.593 120.400 0.137 0.000 2.374 26 K HA 0.171 4.491 4.320 -0.000 0.000 0.202 26 K C -0.381 176.451 176.600 0.386 0.000 1.040 26 K CA 0.066 56.508 56.287 0.258 0.000 1.085 26 K CB 0.838 33.437 32.500 0.165 0.000 0.873 26 K HN 0.050 nan 8.250 nan 0.000 0.539 27 T N 1.528 116.331 114.554 0.415 0.000 2.807 27 T HA 0.367 4.716 4.350 -0.000 0.000 0.279 27 T C -1.234 173.688 174.700 0.371 0.000 0.993 27 T CA -0.609 61.638 62.100 0.245 0.000 0.970 27 T CB 1.795 70.725 68.868 0.102 0.000 0.950 27 T HN -0.077 nan 8.240 nan 0.000 0.441 28 L N 3.980 125.227 121.223 0.041 0.000 2.280 28 L HA 0.516 4.856 4.340 -0.000 0.000 0.287 28 L C -1.527 175.328 176.870 -0.026 0.000 1.023 28 L CA -0.633 54.205 54.840 -0.003 0.000 0.819 28 L CB 0.373 42.244 42.059 -0.312 0.000 1.212 28 L HN 0.600 nan 8.230 nan 0.000 0.420 29 Y N 4.324 124.816 120.300 0.320 0.000 2.341 29 Y HA 0.396 4.946 4.550 -0.000 0.000 0.340 29 Y C -0.711 175.420 175.900 0.386 0.000 0.997 29 Y CA 0.148 58.432 58.100 0.307 0.000 1.149 29 Y CB 1.038 39.650 38.460 0.253 0.000 1.171 29 Y HN 0.666 nan 8.280 nan 0.000 0.494 30 W N 3.954 125.377 121.300 0.205 0.000 2.883 30 W HA 0.752 5.411 4.660 -0.000 0.000 0.335 30 W C -1.086 175.386 176.519 -0.078 0.000 1.083 30 W CA -1.292 56.083 57.345 0.051 0.000 1.233 30 W CB 1.821 31.255 29.460 -0.044 0.000 1.412 30 W HN 0.620 nan 8.180 nan 0.000 0.490 31 G N 1.196 109.629 108.800 -0.613 0.000 2.694 31 G HA2 0.601 4.561 3.960 -0.000 0.000 0.290 31 G HA3 0.601 4.561 3.960 -0.000 0.000 0.290 31 G C -0.001 173.924 174.900 -1.625 0.000 1.386 31 G CA -0.394 44.100 45.100 -1.010 0.000 0.872 31 G HN 1.584 nan 8.290 nan 0.000 0.475 32 G N -1.766 105.897 108.800 -1.895 0.000 2.485 32 G HA2 0.288 4.248 3.960 -0.000 0.000 0.181 32 G HA3 0.288 4.248 3.960 -0.000 0.000 0.181 32 G C 0.741 175.384 174.900 -0.428 0.000 0.999 32 G CA 1.080 45.352 45.100 -1.381 0.000 0.721 32 G HN 1.895 nan 8.290 nan 0.000 0.486 33 A N -0.726 121.696 122.820 -0.664 0.000 2.551 33 A HA 0.758 5.078 4.320 -0.000 0.000 0.252 33 A C 0.188 177.495 177.584 -0.461 0.000 1.199 33 A CA 0.417 52.299 52.037 -0.259 0.000 0.972 33 A CB 0.454 19.434 19.000 -0.033 0.000 1.153 33 A HN 1.014 nan 8.150 nan 0.000 0.559 34 L N -0.446 120.254 121.223 -0.871 0.000 2.295 34 L HA 0.644 4.984 4.340 -0.000 0.000 0.281 34 L C -0.682 175.721 176.870 -0.779 0.000 1.018 34 L CA -0.192 54.273 54.840 -0.625 0.000 0.841 34 L CB 0.478 42.263 42.059 -0.456 0.000 1.218 34 L HN 0.375 nan 8.230 nan 0.000 0.424 35 W N 2.688 123.921 121.300 -0.112 0.000 3.008 35 W HA 0.366 5.026 4.660 -0.000 0.000 0.355 35 W C 0.561 177.041 176.519 -0.065 0.000 1.095 35 W CA 0.052 57.344 57.345 -0.088 0.000 1.738 35 W CB 0.531 29.914 29.460 -0.128 0.000 1.091 35 W HN 0.610 nan 8.180 nan 0.000 0.574 36 S N -1.477 114.262 115.700 0.064 0.000 2.638 36 S HA 0.602 5.072 4.470 -0.000 0.000 0.274 36 S C -3.097 171.498 174.600 -0.010 0.000 1.157 36 S CA -1.939 56.286 58.200 0.042 0.000 0.826 36 S CB 1.759 64.985 63.200 0.044 0.000 1.139 36 S HN -0.362 nan 8.310 nan 0.000 0.474 37 P HA 0.283 nan 4.420 nan 0.000 0.264 37 P C -2.599 174.684 177.300 -0.027 0.000 1.193 37 P CA -0.634 62.481 63.100 0.025 0.000 0.763 37 P CB -0.611 31.125 31.700 0.061 0.000 0.810 38 P HA 0.023 nan 4.420 nan 0.000 0.266 38 P C 0.228 177.349 177.300 -0.300 0.000 1.215 38 P CA 0.551 63.513 63.100 -0.230 0.000 0.763 38 P CB 0.265 31.939 31.700 -0.044 0.000 0.806 39 S N 1.077 116.410 115.700 -0.613 0.000 2.760 39 S HA 0.137 4.607 4.470 -0.000 0.000 0.263 39 S C 0.084 174.436 174.600 -0.413 0.000 1.007 39 S CA -0.397 57.599 58.200 -0.340 0.000 1.358 39 S CB -0.167 62.980 63.200 -0.087 0.000 1.228 39 S HN 0.456 nan 8.310 nan 0.000 0.684 40 N N 0.111 118.293 118.700 -0.863 0.000 2.369 40 N HA 0.272 5.012 4.740 -0.000 0.000 0.287 40 N C -1.815 173.280 175.510 -0.692 0.000 1.067 40 N CA -0.241 52.544 53.050 -0.441 0.000 0.888 40 N CB 1.548 39.872 38.487 -0.271 0.000 1.616 40 N HN 0.379 nan 8.380 nan 0.000 0.482 41 W N 2.442 123.705 121.300 -0.061 0.000 1.645 41 W HA 0.193 4.853 4.660 -0.000 0.000 0.315 41 W C 0.336 176.907 176.519 0.087 0.000 0.870 41 W CA -0.590 56.765 57.345 0.016 0.000 2.483 41 W CB 0.303 29.773 29.460 0.017 0.000 1.339 41 W HN 0.417 nan 8.180 nan 0.000 0.549 42 N N 3.334 122.119 118.700 0.142 0.000 2.408 42 N HA 0.099 4.839 4.740 -0.000 0.000 0.257 42 N C -1.204 174.203 175.510 -0.172 0.000 1.064 42 N CA -1.455 51.649 53.050 0.089 0.000 0.952 42 N CB 1.786 40.321 38.487 0.079 0.000 1.093 42 N HN -0.111 nan 8.380 nan 0.000 0.490 43 P HA -0.018 nan 4.420 nan 0.000 0.233 43 P C 0.792 177.695 177.300 -0.661 0.000 1.167 43 P CA 0.731 63.420 63.100 -0.685 0.000 0.770 43 P CB 0.014 30.906 31.700 -1.346 0.000 0.837 44 F N 0.818 120.514 119.950 -0.423 0.000 2.710 44 F HA 0.049 4.576 4.527 -0.000 0.000 0.298 44 F C 1.289 176.840 175.800 -0.415 0.000 1.137 44 F CA 1.111 58.921 58.000 -0.316 0.000 1.444 44 F CB -0.653 38.163 39.000 -0.307 0.000 1.111 44 F HN -0.046 nan 8.300 nan 0.000 0.580 45 T N -2.991 111.264 114.554 -0.499 0.000 3.585 45 T HA 0.268 4.618 4.350 -0.000 0.000 0.252 45 T C -2.116 171.911 174.700 -1.122 0.000 1.382 45 T CA -1.759 59.555 62.100 -1.310 0.000 1.584 45 T CB 0.780 69.035 68.868 -1.021 0.000 0.892 45 T HN -0.191 nan 8.240 nan 0.000 0.671 46 P HA -0.047 nan 4.420 nan 0.000 0.222 46 P C 1.324 178.531 177.300 -0.154 0.000 1.147 46 P CA 0.772 63.712 63.100 -0.267 0.000 0.790 46 P CB -0.333 31.337 31.700 -0.049 0.000 0.780 47 W N 0.103 121.409 121.300 0.009 0.000 2.468 47 W HA 0.023 4.683 4.660 -0.000 0.000 0.262 47 W C 0.963 177.470 176.519 -0.019 0.000 1.241 47 W CA 0.690 58.033 57.345 -0.004 0.000 1.232 47 W CB -1.946 27.506 29.460 -0.012 0.000 1.124 47 W HN -0.143 nan 8.180 nan 0.000 0.597 48 N N 0.349 118.834 118.700 -0.358 0.000 2.220 48 N HA 0.236 4.976 4.740 -0.000 0.000 0.195 48 N C 0.130 175.497 175.510 -0.238 0.000 1.123 48 N CA 0.604 53.528 53.050 -0.211 0.000 0.874 48 N CB 0.258 38.587 38.487 -0.263 0.000 0.995 48 N HN 0.155 nan 8.380 nan 0.000 0.498 49 A N 0.280 122.945 122.820 -0.257 0.000 2.293 49 A HA 0.501 4.821 4.320 -0.000 0.000 0.302 49 A C 0.287 177.723 177.584 -0.246 0.000 1.119 49 A CA -0.457 51.412 52.037 -0.280 0.000 0.823 49 A CB 0.731 19.617 19.000 -0.190 0.000 1.097 49 A HN -0.048 nan 8.150 nan 0.000 0.491 50 V N 1.701 121.363 119.914 -0.420 0.000 2.584 50 V HA 0.205 4.325 4.120 -0.000 0.000 0.303 50 V C 1.246 177.355 176.094 0.025 0.000 1.035 50 V CA 0.484 62.626 62.300 -0.262 0.000 1.172 50 V CB -0.049 31.534 31.823 -0.400 0.000 0.896 50 V HN 1.097 nan 8.190 nan 0.000 0.486 51 A N 4.683 127.560 122.820 0.095 0.000 2.546 51 A HA 0.493 4.813 4.320 -0.000 0.000 0.243 51 A C 1.547 179.336 177.584 0.341 0.000 1.063 51 A CA 0.610 52.803 52.037 0.260 0.000 0.757 51 A CB -0.328 18.866 19.000 0.324 0.000 0.991 51 A HN 2.110 nan 8.150 nan 0.000 0.503 52 G N 1.588 110.500 108.800 0.187 0.000 2.254 52 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.225 52 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.225 52 G C 1.198 175.929 174.900 -0.281 0.000 1.003 52 G CA 0.891 45.747 45.100 -0.407 0.000 0.622 52 G HN 1.036 nan 8.290 nan 0.000 0.507 53 T N 1.331 115.948 114.554 0.105 0.000 2.653 53 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 53 T C 1.181 176.000 174.700 0.198 0.000 1.035 53 T CA 1.548 63.806 62.100 0.264 0.000 1.154 53 T CB -0.116 68.927 68.868 0.292 0.000 0.862 53 T HN 0.364 nan 8.240 nan 0.000 0.441 54 I N 0.994 121.619 120.570 0.092 0.000 2.291 54 I HA 0.426 4.596 4.170 -0.000 0.000 0.292 54 I C 1.475 177.542 176.117 -0.083 0.000 1.064 54 I CA 0.197 61.543 61.300 0.076 0.000 1.269 54 I CB -0.190 37.867 38.000 0.095 0.000 1.418 54 I HN 0.471 nan 8.210 nan 0.000 0.485 55 G N 5.634 114.358 108.800 -0.126 0.000 3.151 55 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.197 55 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.197 55 G C 0.775 175.408 174.900 -0.445 0.000 1.682 55 G CA -0.130 44.800 45.100 -0.283 0.000 1.205 55 G HN 0.420 nan 8.290 nan 0.000 0.510 56 L N 0.684 121.455 121.223 -0.754 0.000 2.131 56 L HA 0.177 4.517 4.340 -0.000 0.000 0.206 56 L C 2.685 179.425 176.870 -0.217 0.000 1.087 56 L CA 1.538 56.008 54.840 -0.617 0.000 0.767 56 L CB -0.274 41.187 42.059 -0.996 0.000 0.917 56 L HN 0.331 nan 8.230 nan 0.000 0.441 57 V N -2.638 117.209 119.914 -0.113 0.000 2.743 57 V HA 0.017 4.137 4.120 -0.000 0.000 0.237 57 V C 0.167 176.187 176.094 -0.124 0.000 1.113 57 V CA 0.167 62.426 62.300 -0.070 0.000 1.141 57 V CB -0.099 31.698 31.823 -0.044 0.000 0.873 57 V HN 0.048 nan 8.190 nan 0.000 0.486 58 Y N 0.882 121.273 120.300 0.153 0.000 2.361 58 Y HA 0.589 5.139 4.550 -0.000 0.000 0.332 58 Y C 0.292 176.292 175.900 0.167 0.000 1.101 58 Y CA -0.682 57.537 58.100 0.199 0.000 1.137 58 Y CB 0.925 39.463 38.460 0.130 0.000 1.207 58 Y HN 0.213 nan 8.280 nan 0.000 0.463 59 E N 4.655 125.095 120.200 0.399 0.000 2.244 59 E HA 0.446 4.796 4.350 -0.000 0.000 0.266 59 E C -2.704 174.077 176.600 0.301 0.000 0.914 59 E CA -2.298 54.324 56.400 0.370 0.000 0.794 59 E CB 2.105 32.173 29.700 0.614 0.000 1.210 59 E HN 0.278 nan 8.360 nan 0.000 0.414 60 P HA 0.224 nan 4.420 nan 0.000 0.285 60 P C 0.423 177.893 177.300 0.283 0.000 1.280 60 P CA -0.526 62.692 63.100 0.197 0.000 0.862 60 P CB 1.350 33.125 31.700 0.125 0.000 1.153 61 L N -0.556 120.794 121.223 0.211 0.000 2.083 61 L HA -0.029 4.311 4.340 -0.000 0.000 0.209 61 L C 0.590 177.451 176.870 -0.015 0.000 1.083 61 L CA 1.813 56.730 54.840 0.128 0.000 0.752 61 L CB -0.477 41.693 42.059 0.186 0.000 0.899 61 L HN 0.298 nan 8.230 nan 0.000 0.433 62 F N -1.788 118.320 119.950 0.263 0.000 2.599 62 F HA 0.507 5.034 4.527 -0.000 0.000 0.311 62 F C -0.190 175.778 175.800 0.281 0.000 1.076 62 F CA -0.861 57.340 58.000 0.334 0.000 0.937 62 F CB 1.541 40.734 39.000 0.322 0.000 1.282 62 F HN -0.343 nan 8.300 nan 0.000 0.460 63 L N 1.389 122.905 121.223 0.489 0.000 2.375 63 L HA 0.443 4.783 4.340 -0.000 0.000 0.268 63 L C -1.354 175.729 176.870 0.355 0.000 1.058 63 L CA -1.116 53.888 54.840 0.274 0.000 0.803 63 L CB 1.363 43.495 42.059 0.122 0.000 1.212 63 L HN 0.547 nan 8.230 nan 0.000 0.451 64 Y N 0.815 121.130 120.300 0.025 0.000 2.341 64 Y HA 0.276 4.826 4.550 -0.000 0.000 0.338 64 Y C -0.597 175.203 175.900 -0.166 0.000 0.965 64 Y CA -1.047 56.931 58.100 -0.204 0.000 1.108 64 Y CB 1.405 39.647 38.460 -0.363 0.000 1.180 64 Y HN 0.478 nan 8.280 nan 0.000 0.458 65 D N 8.708 128.628 120.400 -0.801 0.000 2.411 65 D HA 0.253 4.893 4.640 -0.000 0.000 0.225 65 D C -2.001 173.714 176.300 -0.975 0.000 1.156 65 D CA -2.586 51.026 54.000 -0.647 0.000 0.874 65 D CB 1.594 42.187 40.800 -0.346 0.000 1.034 65 D HN 0.376 nan 8.370 nan 0.000 0.502 66 P HA -0.029 nan 4.420 nan 0.000 0.236 66 P C 1.581 178.719 177.300 -0.271 0.000 1.177 66 P CA 0.314 63.163 63.100 -0.420 0.000 0.773 66 P CB 0.535 32.126 31.700 -0.180 0.000 0.878 67 L N -0.438 120.634 121.223 -0.252 0.000 2.109 67 L HA -0.002 4.338 4.340 -0.000 0.000 0.207 67 L C 1.760 178.563 176.870 -0.111 0.000 1.086 67 L CA 1.231 55.980 54.840 -0.152 0.000 0.760 67 L CB -0.578 41.423 42.059 -0.096 0.000 0.910 67 L HN 0.014 nan 8.230 nan 0.000 0.437 68 N N -1.072 117.538 118.700 -0.149 0.000 2.171 68 N HA -0.014 4.726 4.740 -0.000 0.000 0.212 68 N C -0.343 175.098 175.510 -0.115 0.000 1.184 68 N CA 0.169 53.162 53.050 -0.096 0.000 0.888 68 N CB 0.590 39.040 38.487 -0.061 0.000 1.038 68 N HN 0.069 nan 8.380 nan 0.000 0.517 69 D N 1.426 121.694 120.400 -0.220 0.000 2.746 69 D HA -0.165 4.475 4.640 -0.000 0.000 0.241 69 D C -0.989 175.262 176.300 -0.082 0.000 1.140 69 D CA 1.108 55.033 54.000 -0.125 0.000 0.707 69 D CB -1.032 39.798 40.800 0.049 0.000 1.034 69 D HN 0.292 nan 8.370 nan 0.000 0.423 70 K N 0.403 120.632 120.400 -0.286 0.000 2.502 70 K HA 0.432 4.752 4.320 -0.000 0.000 0.257 70 K C -0.369 176.144 176.600 -0.145 0.000 0.938 70 K CA -0.850 55.395 56.287 -0.070 0.000 0.819 70 K CB 1.094 33.604 32.500 0.016 0.000 1.333 70 K HN -0.081 nan 8.250 nan 0.000 0.434 71 F N 1.667 121.745 119.950 0.213 0.000 2.389 71 F HA 0.193 4.720 4.527 -0.000 0.000 0.337 71 F C 0.554 176.544 175.800 0.316 0.000 1.112 71 F CA 0.001 58.170 58.000 0.283 0.000 1.192 71 F CB 0.941 40.070 39.000 0.214 0.000 1.185 71 F HN 0.300 nan 8.300 nan 0.000 0.552 72 E N 3.421 123.971 120.200 0.585 0.000 2.185 72 E HA 0.290 4.640 4.350 -0.000 0.000 0.261 72 E C -2.618 174.352 176.600 0.617 0.000 0.879 72 E CA -2.355 54.357 56.400 0.520 0.000 0.756 72 E CB 1.512 31.466 29.700 0.424 0.000 1.152 72 E HN 0.172 nan 8.360 nan 0.000 0.416 73 P HA -0.067 nan 4.420 nan 0.000 0.267 73 P C -0.496 176.926 177.300 0.203 0.000 1.209 73 P CA 0.116 63.246 63.100 0.051 0.000 0.763 73 P CB 0.854 32.567 31.700 0.022 0.000 0.816 74 W N 4.164 125.413 121.300 -0.085 0.000 4.242 74 W HA 0.115 4.775 4.660 -0.000 0.000 0.209 74 W C 1.513 178.125 176.519 0.155 0.000 2.764 74 W CA 0.191 57.636 57.345 0.167 0.000 1.990 74 W CB -0.536 29.070 29.460 0.244 0.000 1.829 74 W HN 0.064 nan 8.180 nan 0.000 0.469 75 L N 1.702 123.054 121.223 0.214 0.000 2.083 75 L HA -0.053 4.286 4.340 -0.000 0.000 0.209 75 L C 1.460 178.199 176.870 -0.218 0.000 1.083 75 L CA 0.949 55.712 54.840 -0.128 0.000 0.752 75 L CB -1.225 40.820 42.059 -0.024 0.000 0.899 75 L HN -0.055 nan 8.230 nan 0.000 0.433 76 A N -0.140 122.545 122.820 -0.225 0.000 2.407 76 A HA -0.003 4.317 4.320 -0.000 0.000 0.248 76 A C 1.230 178.667 177.584 -0.245 0.000 1.082 76 A CA -0.132 51.729 52.037 -0.293 0.000 0.785 76 A CB 0.538 19.186 19.000 -0.587 0.000 1.020 76 A HN 0.346 nan 8.150 nan 0.000 0.489 77 E N 0.685 120.798 120.200 -0.144 0.000 2.190 77 E HA 0.080 4.430 4.350 -0.000 0.000 0.191 77 E C 0.399 176.998 176.600 -0.003 0.000 0.978 77 E CA 0.748 57.102 56.400 -0.076 0.000 0.839 77 E CB 0.080 29.741 29.700 -0.065 0.000 0.787 77 E HN 0.584 nan 8.360 nan 0.000 0.473 78 K N -1.140 119.282 120.400 0.037 0.000 2.578 78 K HA 0.475 4.795 4.320 -0.000 0.000 0.269 78 K C -1.717 175.020 176.600 0.228 0.000 0.941 78 K CA -0.344 56.031 56.287 0.146 0.000 0.847 78 K CB 1.958 34.498 32.500 0.067 0.000 1.397 78 K HN 0.097 nan 8.250 nan 0.000 0.422 79 G N 2.410 111.388 108.800 0.297 0.000 2.753 79 G HA2 0.557 4.517 3.960 -0.000 0.000 0.297 79 G HA3 0.557 4.517 3.960 -0.000 0.000 0.297 79 G C -1.815 172.904 174.900 -0.301 0.000 1.430 79 G CA -0.648 44.467 45.100 0.025 0.000 1.040 79 G HN 0.643 nan 8.290 nan 0.000 0.530 80 E N 0.420 120.155 120.200 -0.776 0.000 2.390 80 E HA 0.354 4.704 4.350 -0.000 0.000 0.280 80 E C -1.640 174.643 176.600 -0.528 0.000 0.992 80 E CA -1.249 54.877 56.400 -0.456 0.000 0.790 80 E CB 1.499 31.125 29.700 -0.123 0.000 1.248 80 E HN 0.440 nan 8.360 nan 0.000 0.447 81 W N 2.306 123.601 121.300 -0.007 0.000 2.446 81 W HA 0.243 4.903 4.660 -0.000 0.000 0.316 81 W C 1.266 177.797 176.519 0.021 0.000 1.376 81 W CA -0.281 57.120 57.345 0.093 0.000 1.300 81 W CB 1.364 30.903 29.460 0.133 0.000 1.351 81 W HN 0.534 nan 8.180 nan 0.000 0.530 82 V N 0.678 120.724 119.914 0.220 0.000 3.644 82 V HA 0.223 4.343 4.120 -0.000 0.000 0.267 82 V C 0.619 176.809 176.094 0.161 0.000 1.277 82 V CA 0.704 63.086 62.300 0.137 0.000 1.096 82 V CB -0.560 31.302 31.823 0.065 0.000 0.828 82 V HN 0.419 nan 8.190 nan 0.000 0.446 83 S N -1.140 114.707 115.700 0.245 0.000 2.752 83 S HA 0.430 4.900 4.470 -0.000 0.000 0.284 83 S C 0.194 174.948 174.600 0.257 0.000 1.189 83 S CA -0.186 58.133 58.200 0.198 0.000 0.835 83 S CB 1.039 64.337 63.200 0.162 0.000 1.192 83 S HN 0.059 nan 8.310 nan 0.000 0.506 84 N N 2.217 121.011 118.700 0.157 0.000 2.205 84 N HA -0.080 4.660 4.740 -0.000 0.000 0.186 84 N C 0.850 176.461 175.510 0.167 0.000 1.015 84 N CA 1.748 54.871 53.050 0.121 0.000 0.862 84 N CB -0.635 37.891 38.487 0.065 0.000 0.986 84 N HN 0.806 nan 8.380 nan 0.000 0.429 85 N N -0.478 118.391 118.700 0.282 0.000 2.241 85 N HA 0.053 4.793 4.740 -0.000 0.000 0.238 85 N C -0.967 174.898 175.510 0.592 0.000 1.244 85 N CA -0.016 53.268 53.050 0.390 0.000 0.880 85 N CB 0.329 38.961 38.487 0.242 0.000 1.179 85 N HN 0.059 nan 8.380 nan 0.000 0.513 86 E N 0.478 121.034 120.200 0.592 0.000 2.246 86 E HA 0.225 4.575 4.350 -0.000 0.000 0.266 86 E C -2.052 174.730 176.600 0.303 0.000 0.880 86 E CA -0.697 55.939 56.400 0.394 0.000 0.762 86 E CB 2.151 31.983 29.700 0.220 0.000 1.180 86 E HN 0.221 nan 8.360 nan 0.000 0.416 87 Y N 2.717 122.963 120.300 -0.091 0.000 2.331 87 Y HA 0.408 4.958 4.550 -0.000 0.000 0.334 87 Y C -1.290 174.576 175.900 -0.057 0.000 0.960 87 Y CA -0.799 57.044 58.100 -0.429 0.000 1.130 87 Y CB 1.029 38.834 38.460 -1.091 0.000 1.164 87 Y HN 0.281 nan 8.280 nan 0.000 0.458 88 V N 7.971 127.662 119.914 -0.371 0.000 2.370 88 V HA 0.324 4.443 4.120 -0.000 0.000 0.279 88 V C -0.745 175.214 176.094 -0.225 0.000 1.029 88 V CA -0.720 61.485 62.300 -0.158 0.000 0.870 88 V CB 1.212 32.969 31.823 -0.109 0.000 0.984 88 V HN 0.644 nan 8.190 nan 0.000 0.451 89 L N 5.373 126.644 121.223 0.081 0.000 2.296 89 L HA 0.691 5.031 4.340 -0.000 0.000 0.286 89 L C 0.110 177.046 176.870 0.110 0.000 1.023 89 L CA 0.556 55.505 54.840 0.182 0.000 0.812 89 L CB 1.924 44.261 42.059 0.463 0.000 1.223 89 L HN 0.680 nan 8.230 nan 0.000 0.421 90 T N 6.201 120.793 114.554 0.062 0.000 2.772 90 T HA 0.494 4.844 4.350 -0.000 0.000 0.288 90 T C -0.023 174.672 174.700 -0.008 0.000 0.994 90 T CA -0.389 61.723 62.100 0.019 0.000 0.951 90 T CB 0.688 69.555 68.868 -0.002 0.000 0.933 90 T HN 0.429 nan 8.240 nan 0.000 0.447 91 L N 3.141 124.348 121.223 -0.027 0.000 2.395 91 L HA 0.437 4.777 4.340 -0.000 0.000 0.269 91 L C 1.158 177.950 176.870 -0.129 0.000 1.133 91 L CA -0.874 53.914 54.840 -0.087 0.000 0.812 91 L CB 0.654 42.659 42.059 -0.089 0.000 1.125 91 L HN 0.458 nan 8.230 nan 0.000 0.452 92 R N 1.661 122.042 120.500 -0.199 0.000 2.734 92 R HA 0.109 4.449 4.340 -0.000 0.000 0.266 92 R C -0.259 175.907 176.300 -0.224 0.000 1.044 92 R CA -0.228 55.743 56.100 -0.214 0.000 1.128 92 R CB 0.383 30.510 30.300 -0.288 0.000 1.010 92 R HN 0.471 nan 8.270 nan 0.000 0.461 93 K N 0.263 120.558 120.400 -0.174 0.000 2.168 93 K HA 0.176 4.496 4.320 -0.000 0.000 0.258 93 K C 0.828 177.308 176.600 -0.199 0.000 1.010 93 K CA 0.467 56.658 56.287 -0.161 0.000 0.929 93 K CB 0.746 33.179 32.500 -0.111 0.000 0.998 93 K HN 0.837 nan 8.250 nan 0.000 0.479 94 G N 0.990 109.681 108.800 -0.182 0.000 2.136 94 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.242 94 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.242 94 G C -0.063 174.696 174.900 -0.235 0.000 0.989 94 G CA -0.257 44.748 45.100 -0.160 0.000 0.682 94 G HN 0.384 nan 8.290 nan 0.000 0.522 95 L N -0.199 120.774 121.223 -0.417 0.000 2.397 95 L HA 0.661 5.001 4.340 -0.000 0.000 0.271 95 L C 1.059 177.669 176.870 -0.432 0.000 1.148 95 L CA -0.249 54.162 54.840 -0.714 0.000 0.825 95 L CB 0.902 42.428 42.059 -0.888 0.000 1.117 95 L HN 0.172 nan 8.230 nan 0.000 0.456 96 R N 1.373 121.659 120.500 -0.357 0.000 2.651 96 R HA 0.324 4.663 4.340 -0.000 0.000 0.278 96 R C -1.507 174.745 176.300 -0.080 0.000 1.010 96 R CA -0.791 55.224 56.100 -0.141 0.000 0.896 96 R CB 1.942 32.268 30.300 0.043 0.000 1.211 96 R HN 0.451 nan 8.270 nan 0.000 0.456 97 W N 2.097 123.488 121.300 0.151 0.000 2.150 97 W HA 0.080 4.740 4.660 -0.000 0.000 0.341 97 W C 1.460 178.086 176.519 0.178 0.000 1.276 97 W CA -0.127 57.338 57.345 0.201 0.000 1.238 97 W CB 0.503 30.115 29.460 0.254 0.000 1.128 97 W HN 0.542 nan 8.180 nan 0.000 0.581 98 Q N 0.740 120.810 119.800 0.450 0.000 2.297 98 Q HA -0.219 4.121 4.340 -0.000 0.000 0.208 98 Q C 1.295 177.393 176.000 0.164 0.000 0.981 98 Q CA 1.506 57.465 55.803 0.258 0.000 0.876 98 Q CB -0.163 28.690 28.738 0.191 0.000 0.921 98 Q HN 0.519 nan 8.270 nan 0.000 0.446 99 D N -1.738 118.788 120.400 0.210 0.000 2.328 99 D HA 0.070 4.710 4.640 -0.000 0.000 0.226 99 D C 1.082 177.450 176.300 0.115 0.000 1.066 99 D CA 0.712 54.789 54.000 0.127 0.000 0.861 99 D CB 0.162 41.043 40.800 0.134 0.000 0.912 99 D HN 0.227 nan 8.370 nan 0.000 0.521 100 G N -0.629 108.263 108.800 0.154 0.000 2.195 100 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.246 100 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.246 100 G C 0.216 175.174 174.900 0.097 0.000 0.984 100 G CA 0.112 45.275 45.100 0.105 0.000 0.633 100 G HN 0.385 nan 8.290 nan 0.000 0.525 101 V N 2.851 122.843 119.914 0.129 0.000 2.637 101 V HA 0.371 4.491 4.120 -0.000 0.000 0.296 101 V C -1.337 174.881 176.094 0.207 0.000 1.046 101 V CA -0.942 61.406 62.300 0.080 0.000 1.066 101 V CB 1.166 32.888 31.823 -0.169 0.000 0.968 101 V HN 0.155 nan 8.190 nan 0.000 0.483 102 P HA 0.155 nan 4.420 nan 0.000 0.269 102 P C -0.569 176.777 177.300 0.077 0.000 1.209 102 P CA -0.148 62.975 63.100 0.039 0.000 0.776 102 P CB 0.514 32.217 31.700 0.004 0.000 0.876 103 L N 3.372 124.459 121.223 -0.225 0.000 2.264 103 L HA 0.565 4.905 4.340 -0.000 0.000 0.289 103 L C 0.208 176.982 176.870 -0.160 0.000 1.044 103 L CA 0.044 54.664 54.840 -0.366 0.000 0.807 103 L CB 0.739 42.185 42.059 -1.023 0.000 1.192 103 L HN 0.501 nan 8.230 nan 0.000 0.425 104 T N 0.887 115.458 114.554 0.028 0.000 2.831 104 T HA 0.546 4.896 4.350 -0.000 0.000 0.287 104 T C 0.929 175.676 174.700 0.079 0.000 1.070 104 T CA -0.112 62.001 62.100 0.022 0.000 1.010 104 T CB 1.452 70.350 68.868 0.051 0.000 1.264 104 T HN 0.533 nan 8.240 nan 0.000 0.532 105 A N 0.346 123.204 122.820 0.064 0.000 2.024 105 A HA -0.048 4.272 4.320 -0.000 0.000 0.220 105 A C 1.856 179.532 177.584 0.153 0.000 1.164 105 A CA 1.796 53.893 52.037 0.100 0.000 0.643 105 A CB -1.201 17.834 19.000 0.059 0.000 0.806 105 A HN 0.888 nan 8.150 nan 0.000 0.451 106 D N 0.545 121.037 120.400 0.153 0.000 2.149 106 D HA -0.155 4.485 4.640 -0.000 0.000 0.198 106 D C 1.109 177.590 176.300 0.302 0.000 0.990 106 D CA 1.501 55.618 54.000 0.194 0.000 0.839 106 D CB -0.350 40.547 40.800 0.161 0.000 0.948 106 D HN 0.484 nan 8.370 nan 0.000 0.460 107 D N 0.441 121.050 120.400 0.347 0.000 2.144 107 D HA -0.079 4.561 4.640 -0.000 0.000 0.200 107 D C 2.356 178.953 176.300 0.496 0.000 0.978 107 D CA 0.374 54.667 54.000 0.488 0.000 0.833 107 D CB 0.101 41.291 40.800 0.651 0.000 0.961 107 D HN 0.099 nan 8.370 nan 0.000 0.470 108 V N 1.187 121.338 119.914 0.394 0.000 2.343 108 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 108 V C 2.740 179.137 176.094 0.504 0.000 1.051 108 V CA 0.996 63.557 62.300 0.435 0.000 1.036 108 V CB -0.471 31.574 31.823 0.370 0.000 0.654 108 V HN 0.037 nan 8.190 nan 0.000 0.451 109 V N -0.402 119.732 119.914 0.367 0.000 2.295 109 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 109 V C 2.191 178.526 176.094 0.400 0.000 1.049 109 V CA 2.476 64.964 62.300 0.314 0.000 1.024 109 V CB -0.793 31.142 31.823 0.187 0.000 0.648 109 V HN 0.578 nan 8.190 nan 0.000 0.447 110 F N 1.532 121.651 119.950 0.282 0.000 2.095 110 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 110 F C 2.435 178.427 175.800 0.319 0.000 1.104 110 F CA 2.333 60.490 58.000 0.262 0.000 1.232 110 F CB -0.700 38.440 39.000 0.232 0.000 0.987 110 F HN 0.114 nan 8.300 nan 0.000 0.475 111 T N 0.594 115.320 114.554 0.286 0.000 2.759 111 T HA -0.209 4.141 4.350 -0.000 0.000 0.269 111 T C 1.728 176.525 174.700 0.162 0.000 1.042 111 T CA 1.922 64.119 62.100 0.162 0.000 1.140 111 T CB -0.611 68.362 68.868 0.174 0.000 0.864 111 T HN 0.227 nan 8.240 nan 0.000 0.455 112 F N 1.269 121.391 119.950 0.286 0.000 2.149 112 F HA 0.075 4.602 4.527 -0.000 0.000 0.294 112 F C 2.565 178.692 175.800 0.544 0.000 1.095 112 F CA 0.858 59.123 58.000 0.443 0.000 1.276 112 F CB -0.277 38.961 39.000 0.397 0.000 1.023 112 F HN 0.147 nan 8.300 nan 0.000 0.480 113 E N -0.063 120.430 120.200 0.488 0.000 2.204 113 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 113 E C 2.089 178.614 176.600 -0.125 0.000 0.989 113 E CA 0.865 57.356 56.400 0.151 0.000 0.824 113 E CB -0.282 29.451 29.700 0.056 0.000 0.756 113 E HN 0.314 nan 8.360 nan 0.000 0.477 114 I N 1.092 121.504 120.570 -0.264 0.000 2.361 114 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 114 I C 2.011 177.974 176.117 -0.256 0.000 1.133 114 I CA 1.054 62.098 61.300 -0.426 0.000 1.413 114 I CB -0.067 37.520 38.000 -0.689 0.000 1.073 114 I HN -0.041 nan 8.210 nan 0.000 0.424 115 A N -0.606 122.180 122.820 -0.057 0.000 2.208 115 A HA -0.095 4.225 4.320 -0.000 0.000 0.209 115 A C 2.276 179.882 177.584 0.036 0.000 1.161 115 A CA 1.000 53.022 52.037 -0.026 0.000 0.782 115 A CB -0.511 18.428 19.000 -0.102 0.000 0.816 115 A HN 0.456 nan 8.150 nan 0.000 0.477 116 K N 0.288 120.567 120.400 -0.202 0.000 2.044 116 K HA -0.044 4.275 4.320 -0.000 0.000 0.204 116 K C 2.065 178.465 176.600 -0.334 0.000 1.049 116 K CA 1.397 57.334 56.287 -0.583 0.000 0.945 116 K CB -0.164 31.565 32.500 -1.285 0.000 0.724 116 K HN 0.338 nan 8.250 nan 0.000 0.440 117 K N -0.655 119.533 120.400 -0.353 0.000 2.026 117 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 117 K C -0.214 176.299 176.600 -0.145 0.000 1.048 117 K CA 1.059 57.130 56.287 -0.359 0.000 0.929 117 K CB 0.090 32.196 32.500 -0.656 0.000 0.713 117 K HN 0.056 nan 8.250 nan 0.000 0.439 118 Y N 1.104 121.328 120.300 -0.127 0.000 2.587 118 Y HA 0.120 4.670 4.550 -0.000 0.000 0.328 118 Y C 0.882 176.719 175.900 -0.106 0.000 0.980 118 Y CA -1.031 56.999 58.100 -0.117 0.000 1.272 118 Y CB 0.951 39.315 38.460 -0.160 0.000 1.094 118 Y HN 0.130 nan 8.280 nan 0.000 0.503 119 T N -2.882 111.731 114.554 0.097 0.000 3.118 119 T HA -0.024 4.326 4.350 -0.000 0.000 0.260 119 T C 1.965 176.685 174.700 0.033 0.000 1.139 119 T CA 0.910 63.045 62.100 0.057 0.000 1.085 119 T CB -0.043 68.862 68.868 0.062 0.000 0.934 119 T HN 0.689 nan 8.240 nan 0.000 0.518 120 G N 1.100 109.906 108.800 0.010 0.000 2.598 120 G HA2 0.193 4.153 3.960 -0.000 0.000 0.215 120 G HA3 0.193 4.153 3.960 -0.000 0.000 0.215 120 G C 0.557 175.449 174.900 -0.013 0.000 1.131 120 G CA -0.286 44.809 45.100 -0.009 0.000 0.785 120 G HN 0.576 nan 8.290 nan 0.000 0.539 121 I N 1.785 122.319 120.570 -0.060 0.000 2.692 121 I HA -0.035 4.135 4.170 -0.000 0.000 0.284 121 I C 2.149 178.208 176.117 -0.097 0.000 1.159 121 I CA 0.040 61.265 61.300 -0.125 0.000 1.423 121 I CB 1.537 39.346 38.000 -0.318 0.000 1.380 121 I HN 0.200 nan 8.210 nan 0.000 0.580 122 S N 5.632 121.347 115.700 0.026 0.000 2.383 122 S HA -0.254 4.216 4.470 -0.000 0.000 0.229 122 S C 1.376 176.066 174.600 0.149 0.000 1.030 122 S CA 1.275 59.560 58.200 0.142 0.000 1.002 122 S CB -0.497 62.903 63.200 0.334 0.000 0.829 122 S HN 0.746 nan 8.310 nan 0.000 0.467 123 Y N 1.834 122.232 120.300 0.163 0.000 2.532 123 Y HA 0.540 5.090 4.550 -0.000 0.000 0.283 123 Y C 1.988 177.988 175.900 0.168 0.000 1.181 123 Y CA -0.306 57.881 58.100 0.146 0.000 1.256 123 Y CB -0.951 37.551 38.460 0.071 0.000 1.112 123 Y HN 0.328 nan 8.280 nan 0.000 0.521 124 S N 0.447 116.165 115.700 0.030 0.000 2.402 124 S HA -0.129 4.341 4.470 -0.000 0.000 0.233 124 S C -0.721 174.050 174.600 0.283 0.000 1.030 124 S CA 0.798 59.099 58.200 0.169 0.000 1.003 124 S CB -1.518 61.741 63.200 0.098 0.000 0.813 124 S HN 0.368 nan 8.310 nan 0.000 0.477 125 P HA 0.055 nan 4.420 nan 0.000 0.228 125 P C 1.576 179.054 177.300 0.297 0.000 1.151 125 P CA 0.326 63.615 63.100 0.315 0.000 0.770 125 P CB -0.197 31.713 31.700 0.351 0.000 0.786 126 V N -1.467 118.533 119.914 0.143 0.000 2.453 126 V HA -0.193 3.927 4.120 -0.000 0.000 0.252 126 V C 1.352 177.045 176.094 -0.668 0.000 1.068 126 V CA 1.736 63.782 62.300 -0.422 0.000 1.070 126 V CB -0.930 30.695 31.823 -0.330 0.000 0.664 126 V HN 0.187 nan 8.190 nan 0.000 0.461 127 W N -0.137 121.122 121.300 -0.069 0.000 2.937 127 W HA 0.043 4.703 4.660 -0.000 0.000 0.245 127 W C 2.094 178.624 176.519 0.018 0.000 1.306 127 W CA 0.393 57.712 57.345 -0.042 0.000 1.470 127 W CB -0.375 29.090 29.460 0.010 0.000 1.132 127 W HN 0.290 nan 8.180 nan 0.000 0.675 128 N N -0.058 118.802 118.700 0.267 0.000 2.396 128 N HA -0.128 4.612 4.740 -0.000 0.000 0.180 128 N C 1.332 177.057 175.510 0.358 0.000 1.028 128 N CA 1.518 54.754 53.050 0.311 0.000 0.893 128 N CB -0.602 38.102 38.487 0.363 0.000 0.967 128 N HN 0.471 nan 8.380 nan 0.000 0.440 129 W N -0.975 120.405 121.300 0.135 0.000 2.661 129 W HA 0.416 5.076 4.660 -0.000 0.000 0.288 129 W C -0.243 176.373 176.519 0.162 0.000 1.014 129 W CA -0.461 56.959 57.345 0.126 0.000 1.396 129 W CB -0.450 29.068 29.460 0.097 0.000 0.963 129 W HN -0.198 nan 8.180 nan 0.000 0.584 130 L N 2.874 123.948 121.223 -0.247 0.000 2.276 130 L HA 0.660 5.000 4.340 -0.000 0.000 0.286 130 L C 1.148 177.904 176.870 -0.189 0.000 1.061 130 L CA 0.489 55.008 54.840 -0.536 0.000 0.807 130 L CB 1.523 42.946 42.059 -1.060 0.000 1.177 130 L HN 0.072 nan 8.230 nan 0.000 0.429 131 G N 5.348 114.057 108.800 -0.152 0.000 2.447 131 G HA2 0.122 4.082 3.960 -0.000 0.000 0.211 131 G HA3 0.122 4.082 3.960 -0.000 0.000 0.211 131 G C 0.276 175.246 174.900 0.117 0.000 1.184 131 G CA 0.384 45.506 45.100 0.036 0.000 0.813 131 G HN 0.706 nan 8.290 nan 0.000 0.540 132 R N -1.511 118.980 120.500 -0.015 0.000 2.733 132 R HA 0.648 4.988 4.340 -0.000 0.000 0.272 132 R C -1.906 174.299 176.300 -0.158 0.000 1.029 132 R CA -0.922 55.204 56.100 0.043 0.000 0.888 132 R CB 0.811 31.114 30.300 0.004 0.000 1.251 132 R HN 0.027 nan 8.270 nan 0.000 0.464 133 I N 1.174 121.656 120.570 -0.146 0.000 2.389 133 I HA 0.321 4.491 4.170 -0.000 0.000 0.288 133 I C -0.410 175.555 176.117 -0.253 0.000 0.999 133 I CA -0.710 60.353 61.300 -0.395 0.000 1.129 133 I CB 2.056 39.734 38.000 -0.538 0.000 1.288 133 I HN 0.519 nan 8.210 nan 0.000 0.444 134 E N 5.849 125.898 120.200 -0.252 0.000 2.231 134 E HA 0.443 4.793 4.350 -0.000 0.000 0.277 134 E C -0.724 175.790 176.600 -0.143 0.000 0.999 134 E CA -0.936 55.376 56.400 -0.147 0.000 0.827 134 E CB 1.629 31.266 29.700 -0.104 0.000 1.101 134 E HN 0.398 nan 8.360 nan 0.000 0.393 135 R N 1.942 122.390 120.500 -0.088 0.000 2.205 135 R HA 0.122 4.462 4.340 -0.000 0.000 0.342 135 R C 0.681 176.954 176.300 -0.044 0.000 1.058 135 R CA -0.207 55.856 56.100 -0.061 0.000 0.904 135 R CB 0.683 30.962 30.300 -0.034 0.000 1.089 135 R HN 0.345 nan 8.270 nan 0.000 0.471 136 V N 1.898 121.787 119.914 -0.042 0.000 2.379 136 V HA -0.124 3.996 4.120 -0.000 0.000 0.243 136 V C 0.673 176.755 176.094 -0.020 0.000 1.035 136 V CA 1.714 63.997 62.300 -0.028 0.000 1.035 136 V CB -0.434 31.374 31.823 -0.025 0.000 0.673 136 V HN 0.856 nan 8.190 nan 0.000 0.457 137 D N -2.366 118.024 120.400 -0.018 0.000 2.895 137 D HA 0.122 4.762 4.640 -0.000 0.000 0.320 137 D C 0.865 177.157 176.300 -0.012 0.000 1.249 137 D CA 0.306 54.297 54.000 -0.014 0.000 0.997 137 D CB 0.594 41.386 40.800 -0.014 0.000 1.430 137 D HN -0.065 nan 8.370 nan 0.000 0.558 138 E N -0.480 119.712 120.200 -0.012 0.000 2.160 138 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 138 E C 1.208 177.802 176.600 -0.011 0.000 0.991 138 E CA 1.557 57.950 56.400 -0.010 0.000 0.810 138 E CB -0.826 28.865 29.700 -0.015 0.000 0.742 138 E HN 0.712 nan 8.360 nan 0.000 0.466 139 R N -0.612 119.878 120.500 -0.017 0.000 2.616 139 R HA 0.315 4.654 4.340 -0.000 0.000 0.427 139 R C -0.429 175.866 176.300 -0.007 0.000 1.030 139 R CA -0.267 55.821 56.100 -0.020 0.000 1.133 139 R CB 0.715 30.989 30.300 -0.044 0.000 1.444 139 R HN 0.144 nan 8.270 nan 0.000 0.578 140 T N 1.606 116.159 114.554 -0.002 0.000 2.886 140 T HA 0.519 4.869 4.350 -0.000 0.000 0.292 140 T C -0.814 173.883 174.700 -0.005 0.000 1.012 140 T CA -0.524 61.580 62.100 0.006 0.000 0.982 140 T CB 2.214 71.079 68.868 -0.005 0.000 1.018 140 T HN 0.090 nan 8.240 nan 0.000 0.451 141 L N 2.212 123.442 121.223 0.012 0.000 2.370 141 L HA 0.648 4.988 4.340 -0.000 0.000 0.266 141 L C -0.293 176.551 176.870 -0.044 0.000 1.002 141 L CA -1.036 53.760 54.840 -0.073 0.000 0.818 141 L CB 2.454 44.440 42.059 -0.121 0.000 1.325 141 L HN 0.434 nan 8.230 nan 0.000 0.418 142 K N 2.129 122.442 120.400 -0.146 0.000 2.394 142 K HA 0.502 4.822 4.320 -0.000 0.000 0.260 142 K C -1.509 174.961 176.600 -0.217 0.000 0.967 142 K CA -0.460 55.787 56.287 -0.067 0.000 0.855 142 K CB 0.951 33.423 32.500 -0.045 0.000 1.101 142 K HN 0.242 nan 8.250 nan 0.000 0.433 143 F N 3.698 123.548 119.950 -0.167 0.000 2.411 143 F HA 0.253 4.780 4.527 -0.000 0.000 0.355 143 F C -0.036 175.520 175.800 -0.406 0.000 1.117 143 F CA -0.633 57.111 58.000 -0.426 0.000 1.139 143 F CB 1.387 40.030 39.000 -0.595 0.000 1.120 143 F HN 0.063 nan 8.300 nan 0.000 0.493 144 V N 5.334 125.052 119.914 -0.327 0.000 2.347 144 V HA 0.338 4.458 4.120 -0.000 0.000 0.280 144 V C -0.378 175.553 176.094 -0.271 0.000 1.021 144 V CA -0.853 61.361 62.300 -0.143 0.000 0.847 144 V CB 0.675 32.455 31.823 -0.072 0.000 0.990 144 V HN 0.424 nan 8.190 nan 0.000 0.444 145 F N 2.377 122.338 119.950 0.019 0.000 2.422 145 F HA 0.350 4.877 4.527 -0.000 0.000 0.333 145 F C 1.608 177.433 175.800 0.042 0.000 1.095 145 F CA -0.252 57.756 58.000 0.013 0.000 1.038 145 F CB 2.182 41.212 39.000 0.050 0.000 1.156 145 F HN 0.563 nan 8.300 nan 0.000 0.483 146 S N -0.588 115.243 115.700 0.218 0.000 2.436 146 S HA -0.034 4.436 4.470 -0.000 0.000 0.228 146 S C 0.167 174.863 174.600 0.160 0.000 1.014 146 S CA 0.726 59.026 58.200 0.166 0.000 0.950 146 S CB -0.062 63.225 63.200 0.145 0.000 0.784 146 S HN 0.639 nan 8.310 nan 0.000 0.504 147 D N 1.726 122.263 120.400 0.228 0.000 2.328 147 D HA 0.376 5.016 4.640 -0.000 0.000 0.243 147 D C -3.358 172.943 176.300 0.002 0.000 1.324 147 D CA -2.156 51.897 54.000 0.088 0.000 0.966 147 D CB 1.625 42.488 40.800 0.106 0.000 1.324 147 D HN -0.022 nan 8.370 nan 0.000 0.549 148 P HA 0.222 nan 4.420 nan 0.000 0.268 148 P C -0.439 176.206 177.300 -1.092 0.000 1.485 148 P CA -0.120 62.521 63.100 -0.766 0.000 1.102 148 P CB -0.060 31.040 31.700 -1.000 0.000 1.501 149 R N 3.189 123.211 120.500 -0.797 0.000 2.593 149 R HA 0.167 4.507 4.340 -0.000 0.000 0.282 149 R C 0.531 176.432 176.300 -0.664 0.000 1.300 149 R CA -0.304 55.260 56.100 -0.892 0.000 1.221 149 R CB -0.155 29.371 30.300 -1.290 0.000 1.157 149 R HN 0.404 nan 8.270 nan 0.000 0.555 150 Y N 0.733 120.776 120.300 -0.429 0.000 2.151 150 Y HA -0.290 4.260 4.550 -0.000 0.000 0.284 150 Y C 2.258 178.086 175.900 -0.120 0.000 1.166 150 Y CA 1.260 59.202 58.100 -0.262 0.000 1.163 150 Y CB -0.046 38.183 38.460 -0.385 0.000 0.974 150 Y HN 0.377 nan 8.280 nan 0.000 0.511 151 Q N 0.003 119.699 119.800 -0.173 0.000 2.096 151 Q HA -0.158 4.182 4.340 -0.000 0.000 0.197 151 Q C 2.237 178.088 176.000 -0.248 0.000 0.964 151 Q CA 1.227 56.923 55.803 -0.178 0.000 0.838 151 Q CB -0.490 28.081 28.738 -0.277 0.000 0.906 151 Q HN 0.611 nan 8.270 nan 0.000 0.444 152 E N 0.205 120.036 120.200 -0.616 0.000 2.153 152 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 152 E C 1.610 178.279 176.600 0.116 0.000 0.988 152 E CA 0.639 56.769 56.400 -0.449 0.000 0.811 152 E CB -0.104 29.085 29.700 -0.851 0.000 0.746 152 E HN 0.461 nan 8.360 nan 0.000 0.466 153 W N 1.518 122.823 121.300 0.008 0.000 2.363 153 W HA -0.223 4.437 4.660 -0.000 0.000 0.296 153 W C 1.591 178.106 176.519 -0.007 0.000 1.212 153 W CA 1.257 58.683 57.345 0.134 0.000 1.260 153 W CB 0.047 29.568 29.460 0.102 0.000 1.131 153 W HN 0.015 nan 8.180 nan 0.000 0.530 154 K N 0.014 120.414 120.400 0.000 0.000 2.074 154 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 154 K C 1.411 177.980 176.600 -0.051 0.000 1.048 154 K CA 1.102 57.343 56.287 -0.076 0.000 0.926 154 K CB -0.367 32.223 32.500 0.151 0.000 0.713 154 K HN 0.066 nan 8.250 nan 0.000 0.444 158 I N -3.153 117.440 120.570 0.039 0.000 3.462 158 I HA 0.225 4.395 4.170 -0.000 0.000 0.290 158 I C 1.135 177.279 176.117 0.044 0.000 1.236 158 I CA 0.869 62.240 61.300 0.118 0.000 1.418 158 I CB 0.106 38.208 38.000 0.169 0.000 1.102 158 I HN 0.125 nan 8.210 nan 0.000 0.441 159 N N 0.953 119.645 118.700 -0.014 0.000 2.187 159 N HA 0.153 4.893 4.740 -0.000 0.000 0.212 159 N C -0.455 175.000 175.510 -0.092 0.000 1.152 159 N CA 0.209 53.247 53.050 -0.019 0.000 0.872 159 N CB 0.889 39.384 38.487 0.012 0.000 1.025 159 N HN 0.251 nan 8.380 nan 0.000 0.514 160 T N 3.483 117.926 114.554 -0.184 0.000 2.781 160 T HA 0.305 4.655 4.350 -0.000 0.000 0.305 160 T C -2.513 172.056 174.700 -0.218 0.000 1.001 160 T CA -1.272 60.612 62.100 -0.361 0.000 0.950 160 T CB 1.991 70.467 68.868 -0.654 0.000 0.955 160 T HN 0.041 nan 8.240 nan 0.000 0.471 161 P HA 0.286 nan 4.420 nan 0.000 0.275 161 P C -0.428 176.845 177.300 -0.045 0.000 1.228 161 P CA -0.667 62.402 63.100 -0.053 0.000 0.786 161 P CB 0.751 32.408 31.700 -0.071 0.000 0.927 162 I N 3.158 123.817 120.570 0.149 0.000 2.416 162 I HA 0.145 4.315 4.170 -0.000 0.000 0.288 162 I C 0.869 177.280 176.117 0.490 0.000 1.051 162 I CA -0.535 60.929 61.300 0.272 0.000 1.375 162 I CB 0.727 38.908 38.000 0.303 0.000 1.407 162 I HN 0.177 nan 8.210 nan 0.000 0.516 163 V N 5.574 125.724 119.914 0.395 0.000 2.815 163 V HA 0.704 4.824 4.120 -0.000 0.000 0.314 163 V C -2.641 173.635 176.094 0.303 0.000 1.064 163 V CA -2.329 60.144 62.300 0.289 0.000 0.952 163 V CB 1.829 33.499 31.823 -0.255 0.000 1.020 163 V HN 0.551 nan 8.190 nan 0.000 0.439 164 P HA 0.267 nan 4.420 nan 0.000 0.281 164 P C 0.153 177.273 177.300 -0.300 0.000 1.286 164 P CA -0.254 62.430 63.100 -0.693 0.000 0.772 164 P CB 1.467 32.168 31.700 -1.665 0.000 0.862 165 K N 4.047 124.287 120.400 -0.267 0.000 2.103 165 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 165 K C 1.850 178.154 176.600 -0.493 0.000 1.048 165 K CA 1.401 57.227 56.287 -0.770 0.000 0.930 165 K CB -0.308 31.935 32.500 -0.429 0.000 0.716 165 K HN 0.579 nan 8.250 nan 0.000 0.444 166 H N -0.471 118.427 119.070 -0.285 0.000 2.521 166 H HA -0.059 4.497 4.556 -0.000 0.000 0.286 166 H C 1.694 176.894 175.328 -0.212 0.000 1.034 166 H CA 1.194 57.118 56.048 -0.207 0.000 1.278 166 H CB -0.127 29.549 29.762 -0.144 0.000 1.386 166 H HN 0.304 nan 8.280 nan 0.000 0.567 167 I N -1.214 118.975 120.570 -0.635 0.000 2.810 167 I HA -0.042 4.128 4.170 -0.000 0.000 0.262 167 I C 1.413 177.239 176.117 -0.484 0.000 1.131 167 I CA 0.299 61.260 61.300 -0.565 0.000 1.453 167 I CB -0.006 37.569 38.000 -0.709 0.000 1.161 167 I HN 0.103 nan 8.210 nan 0.000 0.444 168 W N 1.032 122.219 121.300 -0.189 0.000 2.996 168 W HA 0.143 4.803 4.660 -0.000 0.000 0.270 168 W C 2.200 178.776 176.519 0.095 0.000 1.280 168 W CA -0.137 57.239 57.345 0.051 0.000 1.549 168 W CB -0.099 29.574 29.460 0.354 0.000 1.079 168 W HN 0.017 nan 8.180 nan 0.000 0.629 169 E N 1.011 121.201 120.200 -0.017 0.000 2.108 169 E HA -0.274 4.076 4.350 -0.000 0.000 0.203 169 E C 0.432 177.131 176.600 0.165 0.000 1.022 169 E CA 1.475 57.879 56.400 0.005 0.000 0.823 169 E CB -0.328 29.291 29.700 -0.134 0.000 0.744 169 E HN 0.358 nan 8.360 nan 0.000 0.456 170 N N -0.350 118.410 118.700 0.101 0.000 2.401 170 N HA 0.100 4.839 4.740 -0.000 0.000 0.264 170 N C -1.201 174.378 175.510 0.114 0.000 1.238 170 N CA -0.230 52.878 53.050 0.098 0.000 0.889 170 N CB 0.740 39.253 38.487 0.043 0.000 1.196 170 N HN -0.073 nan 8.380 nan 0.000 0.511 171 K N 0.677 121.186 120.400 0.181 0.000 2.098 171 K HA 0.238 4.557 4.320 -0.000 0.000 0.258 171 K C 0.563 177.289 176.600 0.211 0.000 0.973 171 K CA -0.576 55.808 56.287 0.162 0.000 0.898 171 K CB 1.162 33.770 32.500 0.179 0.000 1.057 171 K HN 0.085 nan 8.250 nan 0.000 0.447 172 T N -2.041 112.560 114.554 0.079 0.000 2.813 172 T HA -0.006 4.344 4.350 -0.000 0.000 0.297 172 T C 1.245 175.735 174.700 -0.350 0.000 1.036 172 T CA -0.371 61.699 62.100 -0.050 0.000 1.044 172 T CB 1.072 69.897 68.868 -0.071 0.000 0.993 172 T HN 0.749 nan 8.240 nan 0.000 0.535 173 E N 0.016 119.671 120.200 -0.908 0.000 2.118 173 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 173 E C 2.264 178.616 176.600 -0.414 0.000 0.992 173 E CA 1.448 57.217 56.400 -1.051 0.000 0.804 173 E CB -0.157 28.906 29.700 -1.062 0.000 0.741 173 E HN 0.716 nan 8.360 nan 0.000 0.458 174 E N 0.227 120.268 120.200 -0.265 0.000 2.077 174 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 174 E C 1.744 178.299 176.600 -0.075 0.000 0.989 174 E CA 1.642 57.964 56.400 -0.131 0.000 0.800 174 E CB -0.194 29.454 29.700 -0.088 0.000 0.746 174 E HN 0.496 nan 8.360 nan 0.000 0.452 175 E N -0.496 119.665 120.200 -0.065 0.000 2.077 175 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 175 E C 2.292 178.933 176.600 0.068 0.000 0.989 175 E CA 1.438 57.838 56.400 0.001 0.000 0.800 175 E CB -0.145 29.559 29.700 0.006 0.000 0.746 175 E HN 0.301 nan 8.360 nan 0.000 0.452 176 V N 1.406 121.351 119.914 0.052 0.000 2.255 176 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 176 V C 2.281 178.418 176.094 0.072 0.000 1.051 176 V CA 1.650 64.027 62.300 0.129 0.000 1.018 176 V CB -0.435 31.304 31.823 -0.141 0.000 0.641 176 V HN 0.276 nan 8.190 nan 0.000 0.445 177 L N -0.559 120.637 121.223 -0.044 0.000 2.240 177 L HA -0.078 4.262 4.340 -0.000 0.000 0.211 177 L C 2.388 179.279 176.870 0.034 0.000 1.106 177 L CA 0.957 55.786 54.840 -0.018 0.000 0.793 177 L CB -0.400 41.633 42.059 -0.043 0.000 0.927 177 L HN 0.355 nan 8.230 nan 0.000 0.446 178 Q N -0.020 119.805 119.800 0.041 0.000 2.356 178 Q HA 0.258 4.598 4.340 -0.000 0.000 0.205 178 Q C 0.757 176.802 176.000 0.075 0.000 0.901 178 Q CA 0.105 55.936 55.803 0.047 0.000 0.938 178 Q CB 0.408 29.163 28.738 0.028 0.000 1.081 178 Q HN 0.333 nan 8.270 nan 0.000 0.517 179 A N 0.912 123.806 122.820 0.123 0.000 2.546 179 A HA 0.328 4.648 4.320 -0.000 0.000 0.243 179 A C 1.315 178.991 177.584 0.154 0.000 1.063 179 A CA 0.725 52.849 52.037 0.145 0.000 0.757 179 A CB 0.384 19.520 19.000 0.227 0.000 0.991 179 A HN 0.308 nan 8.150 nan 0.000 0.503 180 A N 2.719 125.619 122.820 0.133 0.000 1.968 180 A HA 0.042 4.362 4.320 -0.000 0.000 0.217 180 A C 1.237 178.971 177.584 0.251 0.000 1.169 180 A CA 1.271 53.403 52.037 0.157 0.000 0.638 180 A CB -0.566 18.529 19.000 0.158 0.000 0.812 180 A HN 1.712 nan 8.150 nan 0.000 0.446 181 N N 0.031 118.863 118.700 0.219 0.000 2.738 181 N HA -0.147 4.593 4.740 -0.000 0.000 0.249 181 N C -0.691 174.929 175.510 0.183 0.000 1.047 181 N CA 1.011 54.202 53.050 0.236 0.000 0.707 181 N CB -1.807 36.930 38.487 0.417 0.000 0.937 181 N HN 0.726 nan 8.380 nan 0.000 0.545 182 E N 0.812 121.054 120.200 0.070 0.000 2.415 182 E HA 0.066 4.416 4.350 -0.000 0.000 0.262 182 E C 0.371 176.832 176.600 -0.232 0.000 1.038 182 E CA -0.065 56.186 56.400 -0.248 0.000 0.921 182 E CB 0.225 29.895 29.700 -0.050 0.000 0.950 182 E HN 0.383 nan 8.360 nan 0.000 0.438 183 N N 1.115 119.553 118.700 -0.436 0.000 2.708 183 N HA -0.110 4.630 4.740 -0.000 0.000 0.255 183 N C -2.462 172.980 175.510 -0.114 0.000 1.046 183 N CA 0.264 53.195 53.050 -0.199 0.000 0.715 183 N CB -1.328 37.136 38.487 -0.038 0.000 0.895 183 N HN 0.376 nan 8.380 nan 0.000 0.545 184 P HA 0.105 nan 4.420 nan 0.000 0.268 184 P C -0.004 177.323 177.300 0.044 0.000 1.205 184 P CA -0.085 63.069 63.100 0.090 0.000 0.771 184 P CB 0.950 32.789 31.700 0.232 0.000 0.858 185 V N 3.292 123.263 119.914 0.094 0.000 2.294 185 V HA 0.520 4.640 4.120 -0.000 0.000 0.272 185 V C 1.018 177.140 176.094 0.047 0.000 1.027 185 V CA -0.028 62.309 62.300 0.061 0.000 0.823 185 V CB 0.685 32.534 31.823 0.043 0.000 1.030 185 V HN 0.847 nan 8.190 nan 0.000 0.457 186 G N 2.781 111.552 108.800 -0.048 0.000 2.938 186 G HA2 0.534 4.494 3.960 -0.000 0.000 0.258 186 G HA3 0.534 4.494 3.960 -0.000 0.000 0.258 186 G C 0.559 175.747 174.900 0.481 0.000 1.356 186 G CA 0.240 45.307 45.100 -0.054 0.000 1.052 186 G HN 0.673 nan 8.290 nan 0.000 0.550 187 S N -1.525 114.444 115.700 0.448 0.000 2.559 187 S HA 0.382 4.852 4.470 -0.000 0.000 0.226 187 S C 1.064 176.012 174.600 0.580 0.000 1.000 187 S CA 0.311 58.763 58.200 0.421 0.000 0.948 187 S CB 0.427 63.677 63.200 0.084 0.000 0.870 187 S HN 0.885 nan 8.310 nan 0.000 0.497 188 G N 2.522 111.527 108.800 0.342 0.000 2.588 188 G HA2 0.478 4.438 3.960 -0.000 0.000 0.281 188 G HA3 0.478 4.438 3.960 -0.000 0.000 0.281 188 G C -1.588 173.123 174.900 -0.316 0.000 1.236 188 G CA -1.561 43.618 45.100 0.132 0.000 0.969 188 G HN 0.137 nan 8.290 nan 0.000 0.504 189 P HA 0.003 nan 4.420 nan 0.000 0.230 189 P C -0.681 176.236 177.300 -0.639 0.000 1.158 189 P CA 0.985 63.415 63.100 -1.116 0.000 0.769 189 P CB 0.130 31.041 31.700 -1.314 0.000 0.807 190 Y N -0.545 119.608 120.300 -0.246 0.000 2.512 190 Y HA 0.433 4.983 4.550 -0.000 0.000 0.348 190 Y C 0.420 176.369 175.900 0.083 0.000 0.990 190 Y CA -1.260 56.780 58.100 -0.101 0.000 1.033 190 Y CB 1.324 39.694 38.460 -0.150 0.000 1.259 190 Y HN -0.139 nan 8.280 nan 0.000 0.461 191 Y N -1.727 118.685 120.300 0.188 0.000 2.621 191 Y HA 0.832 5.382 4.550 -0.000 0.000 0.334 191 Y C -1.124 174.847 175.900 0.117 0.000 1.074 191 Y CA -1.922 56.257 58.100 0.130 0.000 1.149 191 Y CB 0.365 38.856 38.460 0.051 0.000 1.302 191 Y HN 0.237 nan 8.280 nan 0.000 0.501 192 V N 2.338 122.321 119.914 0.116 0.000 2.389 192 V HA 0.087 4.207 4.120 -0.000 0.000 0.264 192 V C 0.842 176.969 176.094 0.056 0.000 1.049 192 V CA -0.059 62.144 62.300 -0.161 0.000 0.932 192 V CB 0.656 32.177 31.823 -0.504 0.000 1.011 192 V HN 1.057 nan 8.190 nan 0.000 0.475 193 E N 3.541 123.725 120.200 -0.026 0.000 2.086 193 E HA 0.007 4.357 4.350 -0.000 0.000 0.190 193 E C 0.791 177.455 176.600 0.106 0.000 0.975 193 E CA 0.990 57.440 56.400 0.082 0.000 0.813 193 E CB 0.468 30.156 29.700 -0.021 0.000 0.768 193 E HN 0.848 nan 8.360 nan 0.000 0.457 194 S N -1.823 113.948 115.700 0.119 0.000 2.615 194 S HA 0.502 4.972 4.470 -0.000 0.000 0.268 194 S C -1.797 172.971 174.600 0.280 0.000 1.146 194 S CA -0.728 57.519 58.200 0.078 0.000 0.818 194 S CB 0.650 63.847 63.200 -0.005 0.000 1.111 194 S HN 0.354 nan 8.310 nan 0.000 0.465 195 W N 0.028 121.331 121.300 0.006 0.000 3.066 195 W HA 0.912 5.572 4.660 -0.000 0.000 0.330 195 W C -1.062 175.501 176.519 0.075 0.000 1.253 195 W CA -0.468 56.914 57.345 0.063 0.000 1.187 195 W CB 0.701 30.264 29.460 0.172 0.000 1.434 195 W HN 1.279 nan 8.180 nan 0.000 0.572 196 A N 0.563 123.542 122.820 0.266 0.000 2.568 196 A HA 0.511 4.831 4.320 -0.000 0.000 0.291 196 A C 0.007 177.707 177.584 0.193 0.000 1.159 196 A CA -0.215 51.905 52.037 0.138 0.000 0.679 196 A CB 0.883 19.921 19.000 0.063 0.000 1.285 196 A HN 0.633 nan 8.150 nan 0.000 0.428 197 D N 0.510 120.985 120.400 0.124 0.000 2.265 197 D HA -0.093 4.547 4.640 -0.000 0.000 0.208 197 D C 0.690 177.037 176.300 0.078 0.000 0.977 197 D CA 2.035 56.099 54.000 0.107 0.000 0.871 197 D CB 0.115 40.959 40.800 0.073 0.000 0.925 197 D HN 0.623 nan 8.370 nan 0.000 0.485 198 D N -0.931 119.512 120.400 0.072 0.000 2.431 198 D HA 0.003 4.643 4.640 -0.000 0.000 0.213 198 D C 0.332 176.661 176.300 0.047 0.000 1.130 198 D CA -0.266 53.758 54.000 0.040 0.000 0.834 198 D CB 0.311 41.130 40.800 0.031 0.000 0.985 198 D HN 0.271 nan 8.370 nan 0.000 0.504 199 R N -1.949 118.608 120.500 0.094 0.000 2.709 199 R HA 0.560 4.900 4.340 -0.000 0.000 0.270 199 R C -2.061 174.345 176.300 0.176 0.000 1.038 199 R CA -0.950 55.216 56.100 0.110 0.000 0.872 199 R CB 0.806 31.186 30.300 0.133 0.000 1.259 199 R HN -0.005 nan 8.270 nan 0.000 0.473 200 C N 2.324 121.713 119.300 0.148 0.000 2.396 200 C HA 0.659 5.119 4.460 -0.000 0.000 0.321 200 C C -0.628 174.365 174.990 0.004 0.000 1.233 200 C CA -0.279 58.814 59.018 0.124 0.000 1.440 200 C CB 1.186 28.977 27.740 0.084 0.000 2.110 200 C HN 0.559 nan 8.230 nan 0.000 0.473 201 V N 6.836 126.724 119.914 -0.042 0.000 2.350 201 V HA 0.455 4.575 4.120 -0.000 0.000 0.276 201 V C -0.388 175.564 176.094 -0.237 0.000 1.028 201 V CA -0.122 62.143 62.300 -0.058 0.000 0.860 201 V CB 0.732 32.562 31.823 0.011 0.000 0.990 201 V HN 0.737 nan 8.190 nan 0.000 0.453 202 F N 3.950 123.886 119.950 -0.023 0.000 2.420 202 F HA 0.672 5.199 4.527 -0.000 0.000 0.342 202 F C 0.265 176.022 175.800 -0.071 0.000 1.113 202 F CA -0.557 57.409 58.000 -0.058 0.000 1.059 202 F CB 1.660 40.603 39.000 -0.095 0.000 1.128 202 F HN 0.321 nan 8.300 nan 0.000 0.475 203 K N 3.457 123.796 120.400 -0.101 0.000 2.270 203 K HA 0.312 4.632 4.320 -0.000 0.000 0.255 203 K C -0.811 175.560 176.600 -0.382 0.000 0.936 203 K CA -0.838 55.271 56.287 -0.297 0.000 0.809 203 K CB 1.387 33.498 32.500 -0.648 0.000 1.131 203 K HN 0.524 nan 8.250 nan 0.000 0.427 204 K N 3.158 123.365 120.400 -0.322 0.000 2.412 204 K HA 0.037 4.357 4.320 -0.000 0.000 0.281 204 K C -0.518 175.923 176.600 -0.265 0.000 1.027 204 K CA -0.173 55.701 56.287 -0.688 0.000 0.989 204 K CB 0.386 32.581 32.500 -0.508 0.000 0.935 204 K HN 0.627 nan 8.250 nan 0.000 0.475 205 N N 3.519 122.101 118.700 -0.197 0.000 2.415 205 N HA 0.105 4.845 4.740 -0.000 0.000 0.246 205 N C 0.857 176.404 175.510 0.061 0.000 1.078 205 N CA 0.023 53.133 53.050 0.099 0.000 0.942 205 N CB 1.078 39.672 38.487 0.179 0.000 1.140 205 N HN 0.745 nan 8.380 nan 0.000 0.501 206 G N 2.996 111.842 108.800 0.077 0.000 2.479 206 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 206 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 206 G C 0.610 175.558 174.900 0.080 0.000 1.115 206 G CA 0.526 45.664 45.100 0.063 0.000 0.757 206 G HN 0.699 nan 8.290 nan 0.000 0.560 207 N N -1.138 117.625 118.700 0.106 0.000 2.273 207 N HA 0.146 4.886 4.740 -0.000 0.000 0.231 207 N C -0.159 175.439 175.510 0.146 0.000 1.134 207 N CA -0.825 52.282 53.050 0.095 0.000 0.856 207 N CB 0.331 38.867 38.487 0.081 0.000 1.068 207 N HN 0.383 nan 8.380 nan 0.000 0.510 208 W N 2.996 124.266 121.300 -0.049 0.000 2.409 208 W HA -0.116 4.544 4.660 -0.000 0.000 0.338 208 W C 1.361 177.775 176.519 -0.175 0.000 1.273 208 W CA -0.899 56.378 57.345 -0.114 0.000 1.299 208 W CB 0.266 29.600 29.460 -0.210 0.000 1.192 208 W HN 0.374 nan 8.180 nan 0.000 0.565 209 W N 4.958 125.953 121.300 -0.509 0.000 2.364 209 W HA -0.080 4.580 4.660 -0.000 0.000 0.281 209 W C 1.396 177.314 176.519 -1.002 0.000 1.219 209 W CA 1.179 58.159 57.345 -0.610 0.000 1.220 209 W CB -1.538 27.658 29.460 -0.440 0.000 1.127 209 W HN 0.579 nan 8.180 nan 0.000 0.556 210 G N 1.791 108.635 108.800 -3.261 0.000 2.470 210 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.220 210 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.220 210 G C 1.613 175.592 174.900 -1.536 0.000 1.121 210 G CA 1.167 44.356 45.100 -3.184 0.000 0.766 210 G HN 0.334 nan 8.290 nan 0.000 0.553 211 I N -0.186 119.790 120.570 -0.989 0.000 2.163 211 I HA -0.097 4.073 4.170 -0.000 0.000 0.240 211 I C 2.781 178.678 176.117 -0.367 0.000 1.081 211 I CA 1.298 62.346 61.300 -0.420 0.000 1.353 211 I CB -0.214 37.689 38.000 -0.161 0.000 1.054 211 I HN 0.106 nan 8.210 nan 0.000 0.407 212 R N 0.847 121.152 120.500 -0.325 0.000 2.062 212 R HA -0.147 4.193 4.340 -0.000 0.000 0.231 212 R C 2.225 178.372 176.300 -0.256 0.000 1.136 212 R CA 1.470 57.431 56.100 -0.232 0.000 0.948 212 R CB 0.014 30.220 30.300 -0.156 0.000 0.845 212 R HN 0.219 nan 8.270 nan 0.000 0.430 213 E N 0.363 120.397 120.200 -0.277 0.000 2.158 213 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 213 E C 1.989 178.407 176.600 -0.303 0.000 0.982 213 E CA 0.921 57.204 56.400 -0.196 0.000 0.823 213 E CB 0.107 29.815 29.700 0.013 0.000 0.766 213 E HN 0.436 nan 8.360 nan 0.000 0.468 214 L N -0.769 120.134 121.223 -0.533 0.000 2.513 214 L HA 0.266 4.606 4.340 -0.000 0.000 0.222 214 L C 1.268 177.673 176.870 -0.775 0.000 1.096 214 L CA 0.378 54.804 54.840 -0.689 0.000 0.857 214 L CB 0.016 41.529 42.059 -0.910 0.000 1.026 214 L HN 0.173 nan 8.230 nan 0.000 0.469 215 G N -0.164 108.285 108.800 -0.584 0.000 2.176 215 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.252 215 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.252 215 G C -0.362 174.268 174.900 -0.450 0.000 1.024 215 G CA -0.152 44.682 45.100 -0.443 0.000 0.755 215 G HN 0.194 nan 8.290 nan 0.000 0.507 216 Y N -0.034 120.000 120.300 -0.443 0.000 2.341 216 Y HA 0.598 5.148 4.550 -0.000 0.000 0.337 216 Y C 0.134 175.806 175.900 -0.381 0.000 1.014 216 Y CA -2.109 55.623 58.100 -0.614 0.000 1.111 216 Y CB 2.003 39.748 38.460 -1.191 0.000 1.194 216 Y HN 0.165 nan 8.280 nan 0.000 0.462 217 D N 4.905 125.277 120.400 -0.045 0.000 2.469 217 D HA 0.366 5.006 4.640 -0.000 0.000 0.251 217 D C -2.945 173.524 176.300 0.282 0.000 1.173 217 D CA -2.371 51.696 54.000 0.112 0.000 0.882 217 D CB 1.580 42.419 40.800 0.065 0.000 1.129 217 D HN 0.070 nan 8.370 nan 0.000 0.549 218 P HA 0.040 nan 4.420 nan 0.000 0.264 218 P C 0.358 177.791 177.300 0.221 0.000 1.193 218 P CA -0.293 63.042 63.100 0.392 0.000 0.763 218 P CB 0.972 32.830 31.700 0.264 0.000 0.810 219 K N 2.573 123.076 120.400 0.172 0.000 2.044 219 K HA 0.086 4.406 4.320 -0.000 0.000 0.204 219 K C -1.380 175.364 176.600 0.240 0.000 1.049 219 K CA 0.840 57.239 56.287 0.187 0.000 0.945 219 K CB -1.869 30.755 32.500 0.207 0.000 0.724 219 K HN 0.479 nan 8.250 nan 0.000 0.440 220 P HA 0.059 nan 4.420 nan 0.000 0.271 220 P C 0.288 177.729 177.300 0.235 0.000 1.216 220 P CA 0.300 63.495 63.100 0.158 0.000 0.771 220 P CB 0.854 32.454 31.700 -0.167 0.000 0.864 221 E N 2.550 122.877 120.200 0.211 0.000 2.152 221 E HA -0.047 4.303 4.350 -0.000 0.000 0.192 221 E C 0.098 176.773 176.600 0.125 0.000 0.983 221 E CA 1.220 57.699 56.400 0.131 0.000 0.818 221 E CB 0.252 30.014 29.700 0.104 0.000 0.758 221 E HN 0.343 nan 8.360 nan 0.000 0.467 222 R N -0.562 120.001 120.500 0.105 0.000 2.651 222 R HA 0.521 4.861 4.340 -0.000 0.000 0.278 222 R C -0.970 175.308 176.300 -0.037 0.000 1.010 222 R CA -0.605 55.504 56.100 0.015 0.000 0.896 222 R CB 1.944 32.118 30.300 -0.210 0.000 1.211 222 R HN -0.039 nan 8.270 nan 0.000 0.456 223 I N 2.517 123.059 120.570 -0.047 0.000 2.389 223 I HA 0.301 4.471 4.170 -0.000 0.000 0.288 223 I C -0.497 175.674 176.117 0.089 0.000 0.999 223 I CA -0.994 60.271 61.300 -0.058 0.000 1.129 223 I CB 2.068 39.938 38.000 -0.217 0.000 1.288 223 I HN 0.189 nan 8.210 nan 0.000 0.444 224 V N 5.946 125.857 119.914 -0.005 0.000 2.333 224 V HA 0.202 4.322 4.120 -0.000 0.000 0.274 224 V C 0.214 176.433 176.094 0.210 0.000 1.028 224 V CA -0.566 61.774 62.300 0.066 0.000 0.851 224 V CB 1.212 32.984 31.823 -0.085 0.000 1.000 224 V HN 0.721 nan 8.190 nan 0.000 0.456 225 E N 5.554 125.908 120.200 0.256 0.000 2.130 225 E HA 0.462 4.812 4.350 -0.000 0.000 0.284 225 E C -1.094 175.489 176.600 -0.027 0.000 1.018 225 E CA -0.466 55.985 56.400 0.085 0.000 0.817 225 E CB 0.786 30.571 29.700 0.143 0.000 1.078 225 E HN 0.625 nan 8.360 nan 0.000 0.396 226 L N 4.513 125.672 121.223 -0.107 0.000 2.309 226 L HA 0.480 4.820 4.340 -0.000 0.000 0.282 226 L C 0.354 177.114 176.870 -0.184 0.000 1.036 226 L CA -0.835 53.971 54.840 -0.057 0.000 0.806 226 L CB 1.489 43.577 42.059 0.049 0.000 1.220 226 L HN 0.487 nan 8.230 nan 0.000 0.429 227 R N 2.279 122.692 120.500 -0.145 0.000 2.221 227 R HA 0.571 4.911 4.340 -0.000 0.000 0.327 227 R C -1.464 174.760 176.300 -0.127 0.000 1.033 227 R CA -0.370 55.606 56.100 -0.207 0.000 0.887 227 R CB 0.993 31.206 30.300 -0.145 0.000 1.057 227 R HN 0.441 nan 8.270 nan 0.000 0.455 228 V N 7.078 126.898 119.914 -0.157 0.000 2.531 228 V HA 0.200 4.320 4.120 -0.000 0.000 0.301 228 V C 0.768 176.775 176.094 -0.145 0.000 1.034 228 V CA -0.658 61.552 62.300 -0.149 0.000 0.865 228 V CB 1.887 33.570 31.823 -0.234 0.000 0.995 228 V HN 0.841 nan 8.190 nan 0.000 0.424 229 L N 2.604 123.776 121.223 -0.084 0.000 2.375 229 L HA 0.201 4.541 4.340 -0.000 0.000 0.215 229 L C 0.965 177.819 176.870 -0.026 0.000 1.108 229 L CA 0.659 55.493 54.840 -0.011 0.000 0.830 229 L CB 0.239 42.294 42.059 -0.007 0.000 0.959 229 L HN 0.764 nan 8.230 nan 0.000 0.457 230 S N -1.040 114.597 115.700 -0.105 0.000 2.541 230 S HA 0.232 4.702 4.470 -0.000 0.000 0.280 230 S C 0.493 174.966 174.600 -0.211 0.000 1.112 230 S CA -0.723 57.405 58.200 -0.120 0.000 0.925 230 S CB 1.617 64.760 63.200 -0.096 0.000 1.067 230 S HN 0.205 nan 8.310 nan 0.000 0.479 231 N N 3.106 121.684 118.700 -0.204 0.000 2.309 231 N HA -0.206 4.534 4.740 -0.000 0.000 0.182 231 N C 1.148 176.507 175.510 -0.253 0.000 1.018 231 N CA 1.695 54.579 53.050 -0.276 0.000 0.876 231 N CB -1.004 37.341 38.487 -0.237 0.000 0.972 231 N HN 0.798 nan 8.380 nan 0.000 0.434 232 N N 1.107 119.693 118.700 -0.191 0.000 2.188 232 N HA -0.093 4.647 4.740 -0.000 0.000 0.184 232 N C 1.513 176.920 175.510 -0.172 0.000 1.018 232 N CA 1.116 54.065 53.050 -0.168 0.000 0.858 232 N CB -0.619 37.791 38.487 -0.129 0.000 0.989 232 N HN 0.128 nan 8.380 nan 0.000 0.426 233 V N 1.806 121.616 119.914 -0.174 0.000 2.358 233 V HA -0.146 3.974 4.120 -0.000 0.000 0.246 233 V C 2.933 178.905 176.094 -0.203 0.000 1.047 233 V CA 1.802 64.003 62.300 -0.164 0.000 1.035 233 V CB -1.029 30.708 31.823 -0.143 0.000 0.658 233 V HN 0.478 nan 8.190 nan 0.000 0.452 234 A N -0.498 122.137 122.820 -0.307 0.000 1.877 234 A HA -0.186 4.133 4.320 -0.000 0.000 0.216 234 A C 2.457 179.901 177.584 -0.234 0.000 1.186 234 A CA 2.097 53.912 52.037 -0.370 0.000 0.620 234 A CB -0.840 17.660 19.000 -0.833 0.000 0.822 234 A HN 0.316 nan 8.150 nan 0.000 0.443 235 V N 0.052 119.823 119.914 -0.239 0.000 2.515 235 V HA 0.016 4.136 4.120 -0.000 0.000 0.250 235 V C 1.678 177.671 176.094 -0.169 0.000 1.058 235 V CA 1.346 63.530 62.300 -0.194 0.000 1.064 235 V CB -1.028 30.668 31.823 -0.212 0.000 0.675 235 V HN 0.619 nan 8.190 nan 0.000 0.461 241 G N 2.237 111.042 108.800 0.007 0.000 2.147 241 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.244 241 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.244 241 G C 0.304 175.240 174.900 0.060 0.000 1.005 241 G CA 0.828 45.962 45.100 0.055 0.000 0.713 241 G HN 0.420 nan 8.290 nan 0.000 0.515 242 E N -1.447 118.760 120.200 0.012 0.000 2.400 242 E HA 0.277 4.626 4.350 -0.000 0.000 0.195 242 E C 0.789 177.383 176.600 -0.010 0.000 1.012 242 E CA 0.050 56.419 56.400 -0.051 0.000 0.875 242 E CB 0.506 30.148 29.700 -0.096 0.000 0.859 242 E HN 0.419 nan 8.360 nan 0.000 0.498 243 L N 0.971 122.249 121.223 0.092 0.000 2.313 243 L HA 0.227 4.567 4.340 -0.000 0.000 0.283 243 L C 0.011 177.037 176.870 0.260 0.000 1.013 243 L CA -0.090 54.871 54.840 0.202 0.000 0.816 243 L CB 1.395 43.547 42.059 0.156 0.000 1.236 243 L HN -0.202 nan 8.230 nan 0.000 0.419 244 D N 3.553 124.196 120.400 0.404 0.000 2.201 244 D HA -0.038 4.602 4.640 -0.000 0.000 0.209 244 D C -0.613 175.872 176.300 0.308 0.000 0.961 244 D CA 1.095 55.364 54.000 0.450 0.000 0.861 244 D CB 0.249 41.441 40.800 0.652 0.000 0.997 244 D HN 0.454 nan 8.370 nan 0.000 0.486 245 W N 1.848 123.237 121.300 0.149 0.000 2.587 245 W HA 0.436 5.096 4.660 -0.000 0.000 0.324 245 W C -1.117 175.507 176.519 0.175 0.000 1.008 245 W CA -1.565 55.810 57.345 0.050 0.000 1.265 245 W CB 1.164 30.757 29.460 0.222 0.000 1.328 245 W HN -0.390 nan 8.180 nan 0.000 0.432 246 S N 4.543 120.415 115.700 0.287 0.000 2.449 246 S HA 0.405 4.875 4.470 -0.000 0.000 0.310 246 S C -0.153 174.470 174.600 0.037 0.000 1.096 246 S CA -0.479 57.780 58.200 0.097 0.000 1.095 246 S CB 0.537 63.848 63.200 0.184 0.000 1.007 246 S HN 0.524 nan 8.310 nan 0.000 0.474 247 N N 3.374 121.945 118.700 -0.216 0.000 2.321 247 N HA 0.264 5.004 4.740 -0.000 0.000 0.242 247 N C -1.171 174.437 175.510 0.164 0.000 1.141 247 N CA -0.212 52.768 53.050 -0.117 0.000 0.864 247 N CB 0.253 38.460 38.487 -0.466 0.000 1.100 247 N HN 0.433 nan 8.380 nan 0.000 0.510 248 F N 0.761 120.836 119.950 0.208 0.000 2.389 248 F HA 0.235 4.762 4.527 -0.000 0.000 0.337 248 F C 0.495 176.341 175.800 0.076 0.000 1.112 248 F CA -1.057 57.059 58.000 0.194 0.000 1.192 248 F CB 0.298 39.320 39.000 0.036 0.000 1.185 248 F HN 0.009 nan 8.300 nan 0.000 0.552 249 F N 4.562 124.465 119.950 -0.078 0.000 2.471 249 F HA 0.456 4.983 4.527 -0.000 0.000 0.365 249 F C -0.987 174.623 175.800 -0.317 0.000 1.095 249 F CA -0.648 56.941 58.000 -0.684 0.000 1.174 249 F CB -0.057 38.291 39.000 -1.086 0.000 1.105 249 F HN 0.191 nan 8.300 nan 0.000 0.535 250 L N 8.852 129.435 121.223 -1.067 0.000 2.343 250 L HA 0.430 4.770 4.340 -0.000 0.000 0.278 250 L C -2.273 174.005 176.870 -0.986 0.000 0.996 250 L CA -2.168 52.187 54.840 -0.809 0.000 0.831 250 L CB 1.617 43.436 42.059 -0.400 0.000 1.232 250 L HN 0.475 nan 8.230 nan 0.000 0.413 251 P HA 0.146 nan 4.420 nan 0.000 0.269 251 P C 0.884 177.987 177.300 -0.329 0.000 1.209 251 P CA 0.386 63.167 63.100 -0.531 0.000 0.776 251 P CB 0.899 32.413 31.700 -0.309 0.000 0.876 252 G N 0.604 109.267 108.800 -0.228 0.000 2.179 252 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 252 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 252 G C 0.993 175.786 174.900 -0.177 0.000 0.977 252 G CA 0.226 45.228 45.100 -0.163 0.000 0.641 252 G HN 0.402 nan 8.290 nan 0.000 0.533 253 V N 1.431 121.203 119.914 -0.237 0.000 2.324 253 V HA -0.168 3.952 4.120 -0.000 0.000 0.250 253 V C 0.907 176.828 176.094 -0.289 0.000 1.060 253 V CA 2.869 65.025 62.300 -0.240 0.000 1.042 253 V CB -0.973 30.702 31.823 -0.246 0.000 0.650 253 V HN 0.424 nan 8.190 nan 0.000 0.450 254 P HA -0.116 nan 4.420 nan 0.000 0.216 254 P C 1.811 179.013 177.300 -0.163 0.000 1.150 254 P CA 1.315 64.131 63.100 -0.473 0.000 0.837 254 P CB -0.020 31.460 31.700 -0.367 0.000 0.786 255 V N -1.009 118.844 119.914 -0.101 0.000 2.446 255 V HA -0.133 3.987 4.120 -0.000 0.000 0.244 255 V C 2.357 178.449 176.094 -0.003 0.000 1.039 255 V CA 1.301 63.580 62.300 -0.036 0.000 1.045 255 V CB -1.091 30.718 31.823 -0.023 0.000 0.681 255 V HN 0.049 nan 8.190 nan 0.000 0.459 256 L N 0.171 121.398 121.223 0.006 0.000 2.083 256 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 256 L C 2.558 179.491 176.870 0.105 0.000 1.083 256 L CA 1.804 56.717 54.840 0.121 0.000 0.752 256 L CB -0.645 41.438 42.059 0.040 0.000 0.899 256 L HN 0.324 nan 8.230 nan 0.000 0.433 257 K N 1.098 121.499 120.400 0.002 0.000 2.057 257 K HA -0.257 4.063 4.320 -0.000 0.000 0.207 257 K C 2.243 178.856 176.600 0.021 0.000 1.049 257 K CA 1.649 57.941 56.287 0.008 0.000 0.931 257 K CB -0.011 32.473 32.500 -0.027 0.000 0.714 257 K HN 0.118 nan 8.250 nan 0.000 0.440 258 K N -0.275 120.130 120.400 0.008 0.000 2.097 258 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 258 K C 1.735 178.296 176.600 -0.065 0.000 1.049 258 K CA 1.342 57.626 56.287 -0.005 0.000 0.933 258 K CB -0.072 32.430 32.500 0.003 0.000 0.717 258 K HN 0.246 nan 8.250 nan 0.000 0.442 259 A N -0.771 121.975 122.820 -0.123 0.000 2.014 259 A HA 0.079 4.399 4.320 -0.000 0.000 0.210 259 A C 1.289 178.566 177.584 -0.510 0.000 1.188 259 A CA 0.388 52.211 52.037 -0.357 0.000 0.731 259 A CB -0.133 18.556 19.000 -0.518 0.000 0.858 259 A HN 0.345 nan 8.150 nan 0.000 0.464 260 Y N -1.250 119.035 120.300 -0.025 0.000 2.609 260 Y HA 0.423 4.973 4.550 -0.000 0.000 0.281 260 Y C 1.382 177.271 175.900 -0.019 0.000 1.132 260 Y CA 0.221 58.307 58.100 -0.025 0.000 1.264 260 Y CB 0.498 38.936 38.460 -0.036 0.000 1.325 260 Y HN 0.406 nan 8.280 nan 0.000 0.514 261 G N 1.241 110.110 108.800 0.115 0.000 2.905 261 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.210 261 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.210 261 G C -0.882 174.042 174.900 0.040 0.000 0.991 261 G CA -0.662 44.477 45.100 0.064 0.000 1.210 261 G HN 0.136 nan 8.290 nan 0.000 0.602 262 I N 0.622 121.197 120.570 0.009 0.000 2.493 262 I HA 0.466 4.636 4.170 -0.000 0.000 0.298 262 I C 0.739 176.809 176.117 -0.079 0.000 0.998 262 I CA -1.384 59.884 61.300 -0.054 0.000 1.137 262 I CB 2.141 40.094 38.000 -0.078 0.000 1.310 262 I HN 0.054 nan 8.210 nan 0.000 0.445 263 V N 4.700 124.518 119.914 -0.160 0.000 2.530 263 V HA 0.355 4.475 4.120 -0.000 0.000 0.282 263 V C 0.418 176.326 176.094 -0.309 0.000 1.048 263 V CA -0.101 62.091 62.300 -0.179 0.000 0.997 263 V CB 1.014 32.715 31.823 -0.203 0.000 0.987 263 V HN 0.924 nan 8.190 nan 0.000 0.477 264 T N 0.855 115.346 114.554 -0.104 0.000 2.901 264 T HA 0.309 4.659 4.350 -0.000 0.000 0.293 264 T C 0.564 175.390 174.700 0.210 0.000 1.084 264 T CA -0.625 61.480 62.100 0.008 0.000 1.008 264 T CB 1.629 70.605 68.868 0.181 0.000 1.170 264 T HN 0.639 nan 8.240 nan 0.000 0.509 265 W N 0.843 122.245 121.300 0.170 0.000 2.333 265 W HA -0.035 4.625 4.660 -0.000 0.000 0.316 265 W C -0.656 175.764 176.519 -0.165 0.000 1.215 265 W CA 1.114 58.439 57.345 -0.032 0.000 1.278 265 W CB -0.225 29.097 29.460 -0.229 0.000 1.154 265 W HN 0.616 nan 8.180 nan 0.000 0.486 266 Y N 0.830 121.304 120.300 0.290 0.000 2.323 266 Y HA 0.098 4.648 4.550 -0.000 0.000 0.331 266 Y C 1.482 177.432 175.900 0.085 0.000 1.092 266 Y CA -0.039 58.131 58.100 0.116 0.000 1.150 266 Y CB 1.030 39.559 38.460 0.115 0.000 1.200 266 Y HN -0.234 nan 8.280 nan 0.000 0.472 267 E N 1.905 122.220 120.200 0.192 0.000 2.085 267 E HA -0.157 4.192 4.350 -0.000 0.000 0.194 267 E C -0.230 176.441 176.600 0.119 0.000 0.994 267 E CA 1.678 58.161 56.400 0.139 0.000 0.801 267 E CB -0.235 29.512 29.700 0.078 0.000 0.743 267 E HN 0.912 nan 8.360 nan 0.000 0.453 268 N N -1.751 116.909 118.700 -0.067 0.000 2.815 268 N HA 0.639 5.379 4.740 -0.000 0.000 0.315 268 N C -0.812 174.154 175.510 -0.908 0.000 1.320 268 N CA -0.271 52.576 53.050 -0.338 0.000 0.846 268 N CB 1.302 39.698 38.487 -0.151 0.000 1.344 268 N HN 0.350 nan 8.380 nan 0.000 0.593 269 A N 1.092 123.362 122.820 -0.916 0.000 2.565 269 A HA 0.126 4.446 4.320 -0.000 0.000 0.237 269 A C -1.466 175.867 177.584 -0.420 0.000 1.053 269 A CA -0.433 51.168 52.037 -0.726 0.000 0.755 269 A CB -0.283 18.602 19.000 -0.192 0.000 0.980 269 A HN 0.643 nan 8.150 nan 0.000 0.506 270 P HA 0.222 nan 4.420 nan 0.000 0.261 270 P C -0.630 176.815 177.300 0.241 0.000 1.352 270 P CA -0.006 63.090 63.100 -0.006 0.000 0.891 270 P CB -0.323 31.420 31.700 0.072 0.000 1.383 274 P HA 0.270 nan 4.420 nan 0.000 0.285 274 P C -0.432 176.828 177.300 -0.067 0.000 1.259 274 P CA -0.316 62.718 63.100 -0.110 0.000 0.794 274 P CB 2.027 33.622 31.700 -0.174 0.000 0.940 275 A N 3.604 126.419 122.820 -0.008 0.000 2.055 275 A HA 0.212 4.532 4.320 -0.000 0.000 0.205 275 A C 0.521 178.262 177.584 0.261 0.000 1.235 275 A CA 0.837 53.012 52.037 0.230 0.000 0.822 275 A CB -0.456 18.653 19.000 0.182 0.000 0.903 275 A HN 0.778 nan 8.150 nan 0.000 0.473 276 N N -3.163 115.621 118.700 0.140 0.000 3.227 276 N HA 0.305 5.045 4.740 -0.000 0.000 0.241 276 N C -1.258 174.339 175.510 0.145 0.000 1.480 276 N CA -0.338 52.804 53.050 0.152 0.000 0.886 276 N CB 0.357 38.970 38.487 0.210 0.000 1.406 276 N HN -0.197 nan 8.380 nan 0.000 0.514 277 T N 0.121 114.774 114.554 0.165 0.000 2.749 277 T HA 0.741 5.091 4.350 -0.000 0.000 0.287 277 T C -0.369 174.337 174.700 0.010 0.000 0.970 277 T CA -0.380 61.804 62.100 0.139 0.000 0.980 277 T CB 0.584 69.608 68.868 0.260 0.000 0.924 277 T HN 0.735 nan 8.240 nan 0.000 0.456 278 A N 2.972 125.549 122.820 -0.404 0.000 2.290 278 A HA 0.901 5.221 4.320 -0.000 0.000 0.310 278 A C 0.556 177.749 177.584 -0.651 0.000 1.202 278 A CA -0.386 51.231 52.037 -0.700 0.000 0.837 278 A CB 0.678 18.657 19.000 -1.700 0.000 1.139 278 A HN 1.040 nan 8.150 nan 0.000 0.509 279 G N 0.335 108.865 108.800 -0.450 0.000 2.606 279 G HA2 0.515 4.475 3.960 -0.000 0.000 0.300 279 G HA3 0.515 4.475 3.960 -0.000 0.000 0.300 279 G C -1.433 173.154 174.900 -0.522 0.000 1.360 279 G CA -0.611 44.061 45.100 -0.714 0.000 0.783 279 G HN 0.483 nan 8.290 nan 0.000 0.484 280 I N 1.160 121.335 120.570 -0.659 0.000 2.330 280 I HA 0.317 4.487 4.170 -0.000 0.000 0.289 280 I C -0.720 175.243 176.117 -0.257 0.000 1.001 280 I CA -0.996 60.103 61.300 -0.335 0.000 1.193 280 I CB 0.588 38.432 38.000 -0.260 0.000 1.345 280 I HN 0.344 nan 8.210 nan 0.000 0.461 281 Y N 6.372 126.679 120.300 0.012 0.000 2.346 281 Y HA 0.369 4.919 4.550 -0.000 0.000 0.330 281 Y C 0.600 176.591 175.900 0.151 0.000 1.178 281 Y CA 0.082 58.262 58.100 0.133 0.000 1.331 281 Y CB 0.866 39.412 38.460 0.144 0.000 1.253 281 Y HN 0.357 nan 8.280 nan 0.000 0.529 282 I N 3.016 123.814 120.570 0.379 0.000 2.433 282 I HA 0.181 4.351 4.170 -0.000 0.000 0.292 282 I C -0.326 175.985 176.117 0.322 0.000 1.001 282 I CA -1.023 60.461 61.300 0.306 0.000 1.119 282 I CB 1.433 39.505 38.000 0.120 0.000 1.289 282 I HN 0.545 nan 8.210 nan 0.000 0.438 283 N N 5.721 124.539 118.700 0.197 0.000 2.421 283 N HA 0.031 4.771 4.740 -0.000 0.000 0.260 283 N C 0.720 176.217 175.510 -0.022 0.000 1.173 283 N CA -0.139 52.863 53.050 -0.080 0.000 0.960 283 N CB 1.143 39.422 38.487 -0.347 0.000 1.273 283 N HN 0.548 nan 8.380 nan 0.000 0.497 284 V N 1.053 120.990 119.914 0.038 0.000 3.510 284 V HA 0.117 4.237 4.120 -0.000 0.000 0.270 284 V C 0.433 176.538 176.094 0.018 0.000 1.201 284 V CA 0.877 63.214 62.300 0.060 0.000 1.166 284 V CB -0.876 31.048 31.823 0.168 0.000 0.825 284 V HN 0.463 nan 8.190 nan 0.000 0.484 285 N N 0.913 119.597 118.700 -0.028 0.000 2.214 285 N HA 0.236 4.976 4.740 -0.000 0.000 0.214 285 N C 0.061 175.542 175.510 -0.048 0.000 1.132 285 N CA -0.136 52.891 53.050 -0.039 0.000 0.856 285 N CB 0.475 38.926 38.487 -0.060 0.000 1.020 285 N HN 0.611 nan 8.380 nan 0.000 0.509 286 K N 0.672 121.037 120.400 -0.057 0.000 2.413 286 K HA 0.174 4.494 4.320 -0.000 0.000 0.257 286 K C -1.418 175.142 176.600 -0.067 0.000 0.946 286 K CA -0.756 55.498 56.287 -0.056 0.000 0.823 286 K CB 0.781 33.229 32.500 -0.087 0.000 1.109 286 K HN -0.063 nan 8.250 nan 0.000 0.427 287 Y N 6.185 126.392 120.300 -0.155 0.000 2.526 287 Y HA 0.144 4.694 4.550 -0.000 0.000 0.330 287 Y C -1.614 174.087 175.900 -0.332 0.000 1.156 287 Y CA -1.108 56.862 58.100 -0.216 0.000 1.419 287 Y CB 1.087 39.445 38.460 -0.170 0.000 1.250 287 Y HN 0.607 nan 8.280 nan 0.000 0.540 288 P HA 0.053 nan 4.420 nan 0.000 0.261 288 P C 0.874 177.541 177.300 -1.055 0.000 1.268 288 P CA 0.477 62.599 63.100 -1.629 0.000 0.833 288 P CB 0.287 30.808 31.700 -1.965 0.000 1.231 289 L N 0.594 121.432 121.223 -0.641 0.000 2.265 289 L HA -0.122 4.218 4.340 -0.000 0.000 0.215 289 L C 2.343 179.128 176.870 -0.141 0.000 1.117 289 L CA 1.700 56.370 54.840 -0.284 0.000 0.782 289 L CB -0.962 41.018 42.059 -0.132 0.000 0.914 289 L HN 0.104 nan 8.230 nan 0.000 0.441 290 S N -0.505 115.102 115.700 -0.155 0.000 2.515 290 S HA 0.044 4.514 4.470 -0.000 0.000 0.231 290 S C 0.849 175.445 174.600 -0.006 0.000 0.987 290 S CA 0.072 58.251 58.200 -0.035 0.000 0.936 290 S CB -0.555 62.651 63.200 0.010 0.000 0.766 290 S HN 0.295 nan 8.310 nan 0.000 0.528 291 I N 2.792 123.326 120.570 -0.060 0.000 2.322 291 I HA 0.244 4.414 4.170 -0.000 0.000 0.292 291 I C -1.739 174.417 176.117 0.065 0.000 1.060 291 I CA -2.436 58.876 61.300 0.019 0.000 1.309 291 I CB 1.422 39.427 38.000 0.009 0.000 1.415 291 I HN -0.040 nan 8.210 nan 0.000 0.492 292 P HA -0.191 nan 4.420 nan 0.000 0.216 292 P C 1.187 178.526 177.300 0.066 0.000 1.150 292 P CA 1.221 64.364 63.100 0.072 0.000 0.843 292 P CB 0.215 31.963 31.700 0.079 0.000 0.787 293 E N -1.688 118.560 120.200 0.079 0.000 2.204 293 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 293 E C 1.776 178.398 176.600 0.037 0.000 0.989 293 E CA 0.709 57.149 56.400 0.068 0.000 0.824 293 E CB -0.837 28.911 29.700 0.080 0.000 0.756 293 E HN 0.316 nan 8.360 nan 0.000 0.477 294 F N 1.731 121.617 119.950 -0.107 0.000 2.146 294 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 294 F C 2.299 178.004 175.800 -0.159 0.000 1.096 294 F CA 1.288 59.167 58.000 -0.202 0.000 1.275 294 F CB 0.146 38.944 39.000 -0.336 0.000 1.008 294 F HN -0.111 nan 8.300 nan 0.000 0.480 295 R N -0.069 120.475 120.500 0.073 0.000 2.081 295 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 295 R C 2.299 178.507 176.300 -0.154 0.000 1.131 295 R CA 1.214 57.293 56.100 -0.034 0.000 0.960 295 R CB -0.464 29.827 30.300 -0.015 0.000 0.856 295 R HN 0.217 nan 8.270 nan 0.000 0.436 296 R N 0.929 121.367 120.500 -0.103 0.000 2.091 296 R HA -0.016 4.324 4.340 -0.000 0.000 0.238 296 R C 1.424 177.703 176.300 -0.035 0.000 1.136 296 R CA 1.066 57.114 56.100 -0.087 0.000 0.959 296 R CB -0.781 29.559 30.300 0.068 0.000 0.856 296 R HN 0.171 nan 8.270 nan 0.000 0.437 300 Y N 0.931 121.142 120.300 -0.149 0.000 2.293 300 Y HA 0.135 4.685 4.550 -0.000 0.000 0.291 300 Y C 2.828 178.753 175.900 0.042 0.000 1.137 300 Y CA 1.641 59.745 58.100 0.006 0.000 1.202 300 Y CB -0.141 38.299 38.460 -0.033 0.000 0.990 300 Y HN 0.435 nan 8.280 nan 0.000 0.537 301 A N -0.063 122.842 122.820 0.141 0.000 2.014 301 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 301 A C 0.974 178.717 177.584 0.267 0.000 1.163 301 A CA 0.503 52.629 52.037 0.147 0.000 0.652 301 A CB -0.839 18.180 19.000 0.031 0.000 0.808 301 A HN 0.291 nan 8.150 nan 0.000 0.449 302 I N 0.977 121.653 120.570 0.177 0.000 2.371 302 I HA 0.107 4.277 4.170 -0.000 0.000 0.290 302 I C -0.098 176.044 176.117 0.040 0.000 1.028 302 I CA -0.469 60.878 61.300 0.078 0.000 1.345 302 I CB 0.899 38.894 38.000 -0.009 0.000 1.407 302 I HN 0.105 nan 8.210 nan 0.000 0.501 303 N N 9.228 127.758 118.700 -0.283 0.000 2.527 303 N HA 0.277 5.017 4.740 -0.000 0.000 0.236 303 N C -1.735 173.616 175.510 -0.266 0.000 0.999 303 N CA -2.430 50.252 53.050 -0.612 0.000 0.935 303 N CB 1.220 38.958 38.487 -1.249 0.000 1.132 303 N HN 0.252 nan 8.380 nan 0.000 0.511 304 P HA -0.085 nan 4.420 nan 0.000 0.221 304 P C 0.561 177.804 177.300 -0.094 0.000 1.150 304 P CA 0.920 63.985 63.100 -0.057 0.000 0.800 304 P CB 0.603 32.315 31.700 0.020 0.000 0.787 305 E N 0.528 120.663 120.200 -0.108 0.000 2.204 305 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 305 E C 1.973 178.512 176.600 -0.102 0.000 0.990 305 E CA 0.888 57.239 56.400 -0.083 0.000 0.821 305 E CB -0.345 29.318 29.700 -0.061 0.000 0.750 305 E HN 0.367 nan 8.360 nan 0.000 0.477 306 K N 0.595 120.905 120.400 -0.150 0.000 2.097 306 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 306 K C 2.158 178.675 176.600 -0.138 0.000 1.049 306 K CA 0.745 56.951 56.287 -0.135 0.000 0.933 306 K CB -0.023 32.382 32.500 -0.159 0.000 0.717 306 K HN 0.042 nan 8.250 nan 0.000 0.442 307 I N 0.053 120.516 120.570 -0.178 0.000 2.233 307 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 307 I C 2.085 178.090 176.117 -0.186 0.000 1.093 307 I CA 0.669 61.813 61.300 -0.261 0.000 1.380 307 I CB -0.166 37.567 38.000 -0.444 0.000 1.067 307 I HN -0.061 nan 8.210 nan 0.000 0.413 308 V N 1.186 121.022 119.914 -0.130 0.000 2.324 308 V HA -0.329 3.791 4.120 -0.000 0.000 0.250 308 V C 2.682 178.806 176.094 0.051 0.000 1.060 308 V CA 2.733 65.027 62.300 -0.010 0.000 1.042 308 V CB -1.210 30.614 31.823 0.003 0.000 0.650 308 V HN 0.679 nan 8.190 nan 0.000 0.450 309 T N -1.712 112.840 114.554 -0.004 0.000 2.814 309 T HA -0.092 4.258 4.350 -0.000 0.000 0.254 309 T C 1.996 176.681 174.700 -0.025 0.000 1.037 309 T CA 0.787 62.892 62.100 0.008 0.000 1.143 309 T CB -0.293 68.573 68.868 -0.004 0.000 0.866 309 T HN 0.363 nan 8.240 nan 0.000 0.431 310 R N 1.285 121.742 120.500 -0.073 0.000 2.075 310 R HA 0.251 4.591 4.340 -0.000 0.000 0.232 310 R C 2.872 179.081 176.300 -0.152 0.000 1.126 310 R CA 1.300 57.343 56.100 -0.095 0.000 0.963 310 R CB -0.489 29.750 30.300 -0.100 0.000 0.858 310 R HN 0.529 nan 8.270 nan 0.000 0.435 311 A N -0.462 122.197 122.820 -0.269 0.000 1.943 311 A HA -0.025 4.295 4.320 -0.000 0.000 0.213 311 A C 1.021 178.224 177.584 -0.634 0.000 1.181 311 A CA 0.795 52.505 52.037 -0.544 0.000 0.653 311 A CB 0.031 18.526 19.000 -0.842 0.000 0.833 311 A HN 0.303 nan 8.150 nan 0.000 0.451 312 Y N -0.574 119.714 120.300 -0.021 0.000 2.500 312 Y HA 0.259 4.809 4.550 -0.000 0.000 0.246 312 Y C 0.064 176.067 175.900 0.172 0.000 1.146 312 Y CA -0.246 57.920 58.100 0.111 0.000 1.230 312 Y CB 0.098 38.604 38.460 0.076 0.000 1.214 312 Y HN 0.430 nan 8.280 nan 0.000 0.526 313 E N 0.988 121.297 120.200 0.182 0.000 2.328 313 E HA -0.321 4.029 4.350 -0.000 0.000 0.233 313 E C -0.382 176.351 176.600 0.222 0.000 1.219 313 E CA 0.727 57.216 56.400 0.149 0.000 0.717 313 E CB -1.953 27.804 29.700 0.096 0.000 1.210 313 E HN 0.661 nan 8.360 nan 0.000 0.381 317 T N 0.603 115.269 114.554 0.187 0.000 2.912 317 T HA 0.851 5.201 4.350 -0.000 0.000 0.288 317 T C 0.215 174.984 174.700 0.115 0.000 1.030 317 T CA 0.193 62.381 62.100 0.146 0.000 1.020 317 T CB 1.382 70.337 68.868 0.144 0.000 1.056 317 T HN 2.361 nan 8.240 nan 0.000 0.480 318 A N 2.471 125.319 122.820 0.047 0.000 2.466 318 A HA 0.646 4.966 4.320 -0.000 0.000 0.238 318 A C 0.823 178.286 177.584 -0.202 0.000 1.074 318 A CA -0.008 52.015 52.037 -0.024 0.000 0.774 318 A CB -0.481 18.514 19.000 -0.008 0.000 1.015 318 A HN 1.327 nan 8.150 nan 0.000 0.498 319 A N 2.011 124.587 122.820 -0.406 0.000 2.322 319 A HA 0.502 4.822 4.320 -0.000 0.000 0.269 319 A C 0.543 178.011 177.584 -0.193 0.000 1.094 319 A CA -0.189 51.448 52.037 -0.667 0.000 0.807 319 A CB -0.215 18.368 19.000 -0.695 0.000 1.047 319 A HN 1.195 nan 8.150 nan 0.000 0.487 320 N N 1.616 120.322 118.700 0.009 0.000 2.381 320 N HA 0.208 4.948 4.740 -0.000 0.000 0.241 320 N C -2.354 173.122 175.510 -0.057 0.000 1.279 320 N CA -0.899 52.168 53.050 0.029 0.000 0.896 320 N CB -0.115 38.474 38.487 0.169 0.000 1.118 320 N HN 0.213 nan 8.380 nan 0.000 0.438 321 P HA -0.123 nan 4.420 nan 0.000 0.218 321 P C 0.713 177.994 177.300 -0.032 0.000 1.148 321 P CA 1.779 64.614 63.100 -0.442 0.000 0.822 321 P CB -0.073 31.249 31.700 -0.630 0.000 0.784 322 A N -0.874 122.010 122.820 0.106 0.000 2.119 322 A HA 0.338 4.658 4.320 -0.000 0.000 0.216 322 A C 1.772 179.523 177.584 0.278 0.000 1.152 322 A CA 1.010 53.187 52.037 0.232 0.000 0.708 322 A CB -1.352 17.804 19.000 0.260 0.000 0.805 322 A HN 0.247 nan 8.150 nan 0.000 0.460 323 G N -0.813 108.104 108.800 0.194 0.000 2.153 323 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.252 323 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.252 323 G C 0.095 174.921 174.900 -0.123 0.000 0.994 323 G CA 0.297 45.491 45.100 0.156 0.000 0.698 323 G HN 0.500 nan 8.290 nan 0.000 0.521 324 I N 0.937 121.489 120.570 -0.030 0.000 2.452 324 I HA 0.223 4.393 4.170 -0.000 0.000 0.287 324 I C 1.349 177.406 176.117 -0.101 0.000 1.079 324 I CA -0.569 60.653 61.300 -0.131 0.000 1.387 324 I CB 0.679 38.795 38.000 0.193 0.000 1.404 324 I HN 0.031 nan 8.210 nan 0.000 0.522 325 L N 9.244 130.314 121.223 -0.256 0.000 2.485 325 L HA 0.099 4.439 4.340 -0.000 0.000 0.275 325 L C -1.595 174.979 176.870 -0.493 0.000 1.207 325 L CA -1.142 53.338 54.840 -0.601 0.000 0.855 325 L CB 0.146 41.829 42.059 -0.627 0.000 1.114 325 L HN 0.459 nan 8.230 nan 0.000 0.485 326 P HA 0.215 nan 4.420 nan 0.000 0.220 326 P C -0.875 176.257 177.300 -0.280 0.000 1.806 326 P CA 0.200 63.079 63.100 -0.369 0.000 0.976 326 P CB 0.012 31.498 31.700 -0.356 0.000 1.952 327 L N 2.154 123.217 121.223 -0.267 0.000 2.354 327 L HA 0.442 4.782 4.340 -0.000 0.000 0.264 327 L C -1.225 175.588 176.870 -0.095 0.000 1.008 327 L CA -2.578 52.136 54.840 -0.211 0.000 0.819 327 L CB 2.636 44.508 42.059 -0.312 0.000 1.339 327 L HN -0.198 nan 8.230 nan 0.000 0.420 328 P HA -0.118 nan 4.420 nan 0.000 0.216 328 P C 1.262 178.583 177.300 0.036 0.000 1.150 328 P CA 1.230 64.322 63.100 -0.014 0.000 0.837 328 P CB 0.168 31.857 31.700 -0.019 0.000 0.786 329 G N -2.601 106.270 108.800 0.118 0.000 2.559 329 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.216 329 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.216 329 G C 0.276 175.399 174.900 0.370 0.000 1.126 329 G CA 0.475 45.715 45.100 0.234 0.000 0.778 329 G HN 0.184 nan 8.290 nan 0.000 0.543 333 Y N 0.986 121.390 120.300 0.172 0.000 2.584 333 Y HA 0.336 4.886 4.550 -0.000 0.000 0.254 333 Y C -0.072 175.945 175.900 0.194 0.000 1.177 333 Y CA -1.336 56.858 58.100 0.156 0.000 1.216 333 Y CB 0.004 38.548 38.460 0.141 0.000 1.172 333 Y HN 0.111 nan 8.280 nan 0.000 0.529 334 Y N 5.923 126.344 120.300 0.202 0.000 2.650 334 Y HA 0.150 4.700 4.550 -0.000 0.000 0.331 334 Y C -2.088 173.902 175.900 0.151 0.000 1.165 334 Y CA -3.107 55.096 58.100 0.171 0.000 1.473 334 Y CB 0.666 39.194 38.460 0.113 0.000 1.224 334 Y HN 0.007 nan 8.280 nan 0.000 0.533 335 P HA 0.072 nan 4.420 nan 0.000 0.232 335 P C 0.372 177.449 177.300 -0.371 0.000 1.814 335 P CA -0.188 62.764 63.100 -0.246 0.000 1.085 335 P CB 1.082 32.703 31.700 -0.132 0.000 1.901 336 K N 2.421 122.699 120.400 -0.204 0.000 2.032 336 K HA -0.175 4.145 4.320 -0.000 0.000 0.209 336 K C 1.763 178.350 176.600 -0.021 0.000 1.048 336 K CA 1.772 58.038 56.287 -0.035 0.000 0.927 336 K CB -0.666 31.921 32.500 0.144 0.000 0.712 336 K HN 0.481 nan 8.250 nan 0.000 0.441 337 E N -0.507 119.688 120.200 -0.007 0.000 2.077 337 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 337 E C 2.054 178.655 176.600 0.002 0.000 0.989 337 E CA 1.584 57.985 56.400 0.001 0.000 0.800 337 E CB -0.147 29.561 29.700 0.014 0.000 0.746 337 E HN 0.249 nan 8.360 nan 0.000 0.452 338 V N 0.757 120.688 119.914 0.029 0.000 2.295 338 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 338 V C 2.348 178.514 176.094 0.119 0.000 1.049 338 V CA 1.282 63.667 62.300 0.141 0.000 1.024 338 V CB -0.295 31.603 31.823 0.126 0.000 0.648 338 V HN 0.129 nan 8.190 nan 0.000 0.447 339 V N 0.212 120.129 119.914 0.005 0.000 2.358 339 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 339 V C 2.266 178.368 176.094 0.014 0.000 1.047 339 V CA 2.110 64.415 62.300 0.009 0.000 1.035 339 V CB -0.727 31.073 31.823 -0.039 0.000 0.658 339 V HN 0.549 nan 8.190 nan 0.000 0.452 340 D N -0.071 120.329 120.400 -0.000 0.000 2.123 340 D HA -0.189 4.451 4.640 -0.000 0.000 0.196 340 D C 2.163 178.422 176.300 -0.069 0.000 0.992 340 D CA 1.489 55.480 54.000 -0.015 0.000 0.833 340 D CB -0.151 40.645 40.800 -0.007 0.000 0.954 340 D HN 0.422 nan 8.370 nan 0.000 0.455 341 K N -0.930 119.379 120.400 -0.152 0.000 2.116 341 K HA -0.070 4.250 4.320 -0.000 0.000 0.203 341 K C 0.918 177.267 176.600 -0.419 0.000 1.052 341 K CA 0.790 56.848 56.287 -0.382 0.000 0.952 341 K CB 0.146 32.246 32.500 -0.666 0.000 0.729 341 K HN 0.138 nan 8.250 nan 0.000 0.446 342 Y N -0.462 119.864 120.300 0.043 0.000 2.500 342 Y HA 0.329 4.879 4.550 -0.000 0.000 0.246 342 Y C 0.947 176.894 175.900 0.078 0.000 1.146 342 Y CA -0.406 57.734 58.100 0.067 0.000 1.230 342 Y CB 0.597 39.094 38.460 0.062 0.000 1.214 342 Y HN 0.010 nan 8.280 nan 0.000 0.526 343 G N 0.563 109.446 108.800 0.138 0.000 2.653 343 G HA2 0.356 4.316 3.960 -0.000 0.000 0.265 343 G HA3 0.356 4.316 3.960 -0.000 0.000 0.265 343 G C -0.603 174.317 174.900 0.033 0.000 1.237 343 G CA -0.210 44.903 45.100 0.021 0.000 0.946 343 G HN 0.181 nan 8.290 nan 0.000 0.522 344 F N -1.710 118.160 119.950 -0.134 0.000 2.631 344 F HA 0.894 5.421 4.527 -0.000 0.000 0.328 344 F C -0.200 175.476 175.800 -0.205 0.000 1.067 344 F CA -1.488 56.264 58.000 -0.413 0.000 0.969 344 F CB 1.957 40.486 39.000 -0.785 0.000 1.332 344 F HN 0.745 nan 8.300 nan 0.000 0.490 345 K N -0.147 120.272 120.400 0.032 0.000 2.571 345 K HA 0.383 4.702 4.320 -0.000 0.000 0.289 345 K C -2.030 174.753 176.600 0.305 0.000 1.028 345 K CA -1.054 55.307 56.287 0.125 0.000 0.895 345 K CB 1.182 33.738 32.500 0.094 0.000 1.534 345 K HN 0.745 nan 8.250 nan 0.000 0.421 346 Y N 2.120 122.512 120.300 0.154 0.000 2.677 346 Y HA 0.178 4.728 4.550 -0.000 0.000 0.335 346 Y C -0.965 175.039 175.900 0.173 0.000 1.162 346 Y CA 0.531 58.721 58.100 0.151 0.000 1.483 346 Y CB 0.326 38.838 38.460 0.087 0.000 1.209 346 Y HN 0.700 nan 8.280 nan 0.000 0.528 347 D N 9.009 129.309 120.400 -0.167 0.000 2.351 347 D HA 0.192 4.832 4.640 -0.000 0.000 0.235 347 D C -2.411 173.745 176.300 -0.240 0.000 1.331 347 D CA -1.550 52.286 54.000 -0.272 0.000 0.959 347 D CB 1.423 42.198 40.800 -0.043 0.000 1.432 347 D HN 0.292 nan 8.370 nan 0.000 0.544 348 P HA -0.049 nan 4.420 nan 0.000 0.223 348 P C 0.440 177.665 177.300 -0.126 0.000 1.151 348 P CA 0.562 63.565 63.100 -0.162 0.000 0.787 348 P CB 0.636 32.264 31.700 -0.120 0.000 0.788 352 K N 0.906 121.257 120.400 -0.082 0.000 2.026 352 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 352 K C 2.021 178.598 176.600 -0.039 0.000 1.048 352 K CA 1.727 57.986 56.287 -0.047 0.000 0.929 352 K CB -0.131 32.348 32.500 -0.036 0.000 0.713 352 K HN 0.484 nan 8.250 nan 0.000 0.439 353 K N 1.339 121.701 120.400 -0.064 0.000 2.063 353 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 353 K C 2.024 178.603 176.600 -0.036 0.000 1.048 353 K CA 1.301 57.557 56.287 -0.051 0.000 0.928 353 K CB -0.080 32.372 32.500 -0.080 0.000 0.713 353 K HN 0.063 nan 8.250 nan 0.000 0.442 354 I N 1.046 121.578 120.570 -0.065 0.000 2.179 354 I HA -0.310 3.860 4.170 -0.000 0.000 0.242 354 I C 2.185 178.309 176.117 0.012 0.000 1.088 354 I CA 1.137 62.416 61.300 -0.036 0.000 1.357 354 I CB -0.202 37.759 38.000 -0.065 0.000 1.051 354 I HN 0.187 nan 8.210 nan 0.000 0.409 355 L N 0.124 121.342 121.223 -0.008 0.000 2.046 355 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 355 L C 2.185 179.164 176.870 0.181 0.000 1.077 355 L CA 1.219 56.101 54.840 0.070 0.000 0.747 355 L CB -0.713 41.358 42.059 0.020 0.000 0.896 355 L HN 0.254 nan 8.230 nan 0.000 0.432 356 D N 0.360 120.824 120.400 0.107 0.000 2.097 356 D HA -0.196 4.444 4.640 -0.000 0.000 0.195 356 D C 2.389 178.751 176.300 0.103 0.000 0.989 356 D CA 1.752 55.812 54.000 0.101 0.000 0.827 356 D CB -0.060 40.772 40.800 0.054 0.000 0.966 356 D HN 0.451 nan 8.370 nan 0.000 0.456 357 E N 0.730 120.980 120.200 0.083 0.000 2.150 357 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 357 E C 2.268 178.938 176.600 0.116 0.000 0.985 357 E CA 0.544 56.990 56.400 0.078 0.000 0.814 357 E CB -0.925 28.807 29.700 0.054 0.000 0.752 357 E HN 0.296 nan 8.360 nan 0.000 0.466 358 L N -1.175 120.159 121.223 0.185 0.000 2.465 358 L HA 0.201 4.541 4.340 -0.000 0.000 0.224 358 L C 2.137 179.158 176.870 0.251 0.000 1.145 358 L CA 0.724 55.731 54.840 0.278 0.000 0.834 358 L CB 0.179 42.510 42.059 0.452 0.000 0.944 358 L HN 0.594 nan 8.230 nan 0.000 0.451 359 G N -0.823 108.095 108.800 0.197 0.000 2.157 359 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.239 359 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.239 359 G C 0.052 174.970 174.900 0.030 0.000 0.982 359 G CA -0.571 44.572 45.100 0.071 0.000 0.650 359 G HN 0.155 nan 8.290 nan 0.000 0.527 360 F N 2.186 122.220 119.950 0.141 0.000 2.464 360 F HA 0.491 5.018 4.527 -0.000 0.000 0.353 360 F C 1.017 176.915 175.800 0.163 0.000 1.191 360 F CA 0.219 58.338 58.000 0.198 0.000 1.147 360 F CB 0.630 39.802 39.000 0.288 0.000 1.294 360 F HN -0.060 nan 8.300 nan 0.000 0.583 361 K N 1.147 121.678 120.400 0.219 0.000 2.318 361 K HA 0.190 4.510 4.320 -0.000 0.000 0.249 361 K C -0.891 175.796 176.600 0.146 0.000 0.942 361 K CA -1.153 55.229 56.287 0.160 0.000 0.808 361 K CB 1.801 34.359 32.500 0.097 0.000 1.189 361 K HN 0.170 nan 8.250 nan 0.000 0.428 362 D N 2.772 123.242 120.400 0.117 0.000 2.498 362 D HA -0.004 4.636 4.640 -0.000 0.000 0.229 362 D C 0.967 177.305 176.300 0.064 0.000 1.188 362 D CA -0.225 53.830 54.000 0.092 0.000 1.028 362 D CB 0.253 41.088 40.800 0.059 0.000 1.087 362 D HN 0.364 nan 8.370 nan 0.000 0.510 363 V N 1.667 121.621 119.914 0.067 0.000 2.488 363 V HA -0.099 4.021 4.120 -0.000 0.000 0.246 363 V C 1.311 177.427 176.094 0.037 0.000 1.046 363 V CA 1.364 63.692 62.300 0.046 0.000 1.053 363 V CB -0.851 30.997 31.823 0.042 0.000 0.679 363 V HN 0.451 nan 8.190 nan 0.000 0.458 364 N N -0.464 118.262 118.700 0.044 0.000 2.313 364 N HA 0.082 4.822 4.740 -0.000 0.000 0.207 364 N C 0.424 175.948 175.510 0.023 0.000 1.141 364 N CA -0.252 52.818 53.050 0.033 0.000 0.830 364 N CB -0.236 38.275 38.487 0.039 0.000 1.008 364 N HN 0.372 nan 8.380 nan 0.000 0.481 365 K N 0.441 120.851 120.400 0.017 0.000 3.077 365 K HA -0.165 4.155 4.320 -0.000 0.000 0.264 365 K C -0.470 176.116 176.600 -0.022 0.000 1.008 365 K CA 1.167 57.452 56.287 -0.003 0.000 0.740 365 K CB -1.920 30.578 32.500 -0.003 0.000 1.273 365 K HN 0.791 nan 8.250 nan 0.000 0.477 366 D N -1.389 118.996 120.400 -0.025 0.000 2.395 366 D HA 0.217 4.857 4.640 -0.000 0.000 0.213 366 D C 1.176 177.346 176.300 -0.216 0.000 1.110 366 D CA 0.598 54.560 54.000 -0.064 0.000 0.835 366 D CB 0.246 41.054 40.800 0.014 0.000 0.965 366 D HN 0.368 nan 8.370 nan 0.000 0.505 367 G N -0.327 108.348 108.800 -0.209 0.000 2.241 367 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 367 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 367 G C -0.181 174.475 174.900 -0.407 0.000 0.998 367 G CA 0.071 44.960 45.100 -0.351 0.000 0.621 367 G HN 0.266 nan 8.290 nan 0.000 0.519 368 F N 1.732 121.668 119.950 -0.023 0.000 2.443 368 F HA 0.681 5.208 4.527 -0.000 0.000 0.335 368 F C 1.101 176.893 175.800 -0.013 0.000 1.104 368 F CA -1.277 56.695 58.000 -0.046 0.000 1.013 368 F CB 1.111 40.049 39.000 -0.103 0.000 1.136 368 F HN -0.040 nan 8.300 nan 0.000 0.470 369 R N 1.746 122.387 120.500 0.234 0.000 2.537 369 R HA 0.245 4.585 4.340 -0.000 0.000 0.280 369 R C -0.342 176.111 176.300 0.256 0.000 1.058 369 R CA -0.319 55.931 56.100 0.250 0.000 1.057 369 R CB 0.487 30.995 30.300 0.347 0.000 0.973 369 R HN 0.565 nan 8.270 nan 0.000 0.438 370 E N 1.128 121.503 120.200 0.291 0.000 2.267 370 E HA 0.054 4.404 4.350 -0.000 0.000 0.258 370 E C -0.501 176.375 176.600 0.460 0.000 1.074 370 E CA -0.533 56.078 56.400 0.353 0.000 0.915 370 E CB 0.576 30.393 29.700 0.195 0.000 1.186 370 E HN 0.519 nan 8.360 nan 0.000 0.439 371 D N -0.540 120.067 120.400 0.346 0.000 2.398 371 D HA 0.081 4.721 4.640 -0.000 0.000 0.247 371 D C -1.927 174.195 176.300 -0.297 0.000 1.227 371 D CA -1.612 52.298 54.000 -0.149 0.000 0.980 371 D CB -0.086 40.694 40.800 -0.034 0.000 1.106 371 D HN 0.031 nan 8.370 nan 0.000 0.493 372 P HA -0.066 nan 4.420 nan 0.000 0.221 372 P C 0.058 177.277 177.300 -0.135 0.000 1.145 372 P CA 1.224 64.149 63.100 -0.291 0.000 0.795 372 P CB -0.086 31.449 31.700 -0.276 0.000 0.775 373 N N -1.443 117.189 118.700 -0.113 0.000 2.383 373 N HA 0.203 4.943 4.740 -0.000 0.000 0.192 373 N C 1.023 176.516 175.510 -0.028 0.000 1.141 373 N CA 0.569 53.580 53.050 -0.065 0.000 0.851 373 N CB -0.221 38.222 38.487 -0.073 0.000 0.976 373 N HN 0.034 nan 8.380 nan 0.000 0.465 374 G N 1.192 109.985 108.800 -0.012 0.000 2.148 374 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.254 374 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.254 374 G C 0.049 174.986 174.900 0.061 0.000 0.981 374 G CA -0.088 45.031 45.100 0.031 0.000 0.670 374 G HN 0.391 nan 8.290 nan 0.000 0.528 375 K N 1.091 121.535 120.400 0.073 0.000 2.297 375 K HA 0.476 4.796 4.320 -0.000 0.000 0.286 375 K C -2.261 174.464 176.600 0.208 0.000 1.053 375 K CA -1.927 54.423 56.287 0.105 0.000 0.940 375 K CB 1.121 33.667 32.500 0.076 0.000 1.019 375 K HN 0.051 nan 8.250 nan 0.000 0.475 376 P HA 0.141 nan 4.420 nan 0.000 0.274 376 P C -1.118 176.340 177.300 0.264 0.000 1.231 376 P CA -0.143 63.062 63.100 0.175 0.000 0.790 376 P CB 0.310 32.057 31.700 0.078 0.000 0.951 377 F N -1.246 118.730 119.950 0.043 0.000 2.686 377 F HA 0.779 5.306 4.527 -0.000 0.000 0.311 377 F C -1.309 174.460 175.800 -0.052 0.000 1.128 377 F CA -1.250 56.758 58.000 0.014 0.000 0.946 377 F CB 1.815 40.848 39.000 0.054 0.000 1.336 377 F HN 0.231 nan 8.300 nan 0.000 0.457 378 K N 2.633 123.038 120.400 0.008 0.000 2.502 378 K HA 0.772 5.092 4.320 -0.000 0.000 0.257 378 K C -2.350 174.276 176.600 0.044 0.000 0.938 378 K CA -0.694 55.508 56.287 -0.142 0.000 0.819 378 K CB 2.563 34.962 32.500 -0.168 0.000 1.333 378 K HN 0.957 nan 8.250 nan 0.000 0.434 379 L N 1.571 122.800 121.223 0.009 0.000 2.323 379 L HA 0.553 4.893 4.340 -0.000 0.000 0.265 379 L C -0.072 176.795 176.870 -0.005 0.000 1.012 379 L CA -1.086 53.783 54.840 0.048 0.000 0.820 379 L CB 2.226 44.347 42.059 0.102 0.000 1.334 379 L HN 0.876 nan 8.230 nan 0.000 0.427 380 T N -0.744 113.812 114.554 0.005 0.000 2.888 380 T HA 0.718 5.068 4.350 -0.000 0.000 0.284 380 T C -0.640 174.054 174.700 -0.011 0.000 1.017 380 T CA -0.615 61.472 62.100 -0.022 0.000 1.022 380 T CB 2.179 71.030 68.868 -0.027 0.000 1.013 380 T HN 0.531 nan 8.240 nan 0.000 0.465 381 I N 1.802 122.342 120.570 -0.050 0.000 2.509 381 I HA 0.592 4.762 4.170 -0.000 0.000 0.293 381 I C -0.798 175.262 176.117 -0.095 0.000 1.020 381 I CA -0.824 60.446 61.300 -0.051 0.000 1.088 381 I CB 1.700 39.673 38.000 -0.046 0.000 1.267 381 I HN 1.025 nan 8.210 nan 0.000 0.430 382 E N 6.744 126.903 120.200 -0.069 0.000 2.343 382 E HA 0.673 5.023 4.350 -0.000 0.000 0.270 382 E C -1.468 175.168 176.600 0.060 0.000 0.895 382 E CA -0.812 55.561 56.400 -0.046 0.000 0.767 382 E CB 2.248 31.937 29.700 -0.018 0.000 1.248 382 E HN 0.784 nan 8.360 nan 0.000 0.440 383 C N -0.928 118.423 119.300 0.086 0.000 3.318 383 C HA 0.668 5.128 4.460 -0.000 0.000 0.322 383 C C -2.968 171.926 174.990 -0.160 0.000 1.398 383 C CA -2.153 56.887 59.018 0.036 0.000 1.339 383 C CB 1.076 28.960 27.740 0.240 0.000 1.668 383 C HN 0.603 nan 8.230 nan 0.000 0.462 384 P HA 0.183 nan 4.420 nan 0.000 0.271 384 P C -0.975 176.169 177.300 -0.261 0.000 1.216 384 P CA 0.300 62.981 63.100 -0.698 0.000 0.771 384 P CB 0.073 30.763 31.700 -1.683 0.000 0.864 385 Y N 2.883 123.126 120.300 -0.095 0.000 2.610 385 Y HA 0.264 4.813 4.550 -0.000 0.000 0.332 385 Y C 1.694 177.617 175.900 0.038 0.000 1.201 385 Y CA 1.953 60.062 58.100 0.015 0.000 1.465 385 Y CB -0.260 38.227 38.460 0.046 0.000 1.283 385 Y HN 0.819 nan 8.280 nan 0.000 0.563 386 G N 3.582 111.862 108.800 -0.865 0.000 2.176 386 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.253 386 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.253 386 G C -0.381 174.476 174.900 -0.073 0.000 0.979 386 G CA 0.010 44.777 45.100 -0.555 0.000 0.641 386 G HN 0.606 nan 8.290 nan 0.000 0.530 387 W N 2.839 123.949 121.300 -0.317 0.000 1.864 387 W HA 0.524 5.184 4.660 -0.000 0.000 0.425 387 W C 1.775 178.194 176.519 -0.168 0.000 0.791 387 W CA -0.120 57.061 57.345 -0.274 0.000 1.650 387 W CB -0.494 28.773 29.460 -0.322 0.000 1.791 387 W HN 0.313 nan 8.180 nan 0.000 0.266 388 T N -2.588 111.952 114.554 -0.022 0.000 2.788 388 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 388 T C 1.447 176.138 174.700 -0.014 0.000 1.044 388 T CA 1.823 63.889 62.100 -0.055 0.000 1.139 388 T CB -0.082 68.727 68.868 -0.097 0.000 0.867 388 T HN 0.331 nan 8.240 nan 0.000 0.454 389 D N -0.003 120.378 120.400 -0.032 0.000 2.144 389 D HA -0.112 4.528 4.640 -0.000 0.000 0.199 389 D C 0.834 177.226 176.300 0.152 0.000 0.984 389 D CA 0.456 54.374 54.000 -0.137 0.000 0.834 389 D CB -0.762 39.788 40.800 -0.417 0.000 0.955 389 D HN 0.434 nan 8.370 nan 0.000 0.465 393 S N 1.456 117.139 115.700 -0.029 0.000 2.355 393 S HA -0.103 4.367 4.470 -0.000 0.000 0.222 393 S C 1.892 176.495 174.600 0.006 0.000 1.031 393 S CA 2.086 60.247 58.200 -0.066 0.000 0.993 393 S CB -0.238 62.932 63.200 -0.051 0.000 0.859 393 S HN 0.777 nan 8.310 nan 0.000 0.453 394 I N 0.165 120.778 120.570 0.071 0.000 2.546 394 I HA -0.120 4.050 4.170 -0.000 0.000 0.255 394 I C 2.103 178.251 176.117 0.053 0.000 1.163 394 I CA 1.205 62.538 61.300 0.055 0.000 1.457 394 I CB -0.516 37.516 38.000 0.054 0.000 1.092 394 I HN 0.164 nan 8.210 nan 0.000 0.434 395 Q N 1.126 120.978 119.800 0.088 0.000 2.084 395 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 395 Q C 2.540 178.555 176.000 0.025 0.000 0.978 395 Q CA 2.071 57.918 55.803 0.074 0.000 0.844 395 Q CB -0.193 28.600 28.738 0.091 0.000 0.898 395 Q HN 0.641 nan 8.270 nan 0.000 0.426 396 S N 0.218 115.915 115.700 -0.005 0.000 2.368 396 S HA -0.122 4.348 4.470 -0.000 0.000 0.224 396 S C 1.879 176.462 174.600 -0.029 0.000 1.029 396 S CA 0.801 58.981 58.200 -0.033 0.000 0.988 396 S CB -0.176 62.979 63.200 -0.075 0.000 0.838 396 S HN 0.298 nan 8.310 nan 0.000 0.462 397 I N 1.758 122.314 120.570 -0.023 0.000 2.127 397 I HA -0.207 3.963 4.170 -0.000 0.000 0.241 397 I C 2.839 178.953 176.117 -0.006 0.000 1.075 397 I CA 1.322 62.611 61.300 -0.019 0.000 1.334 397 I CB -0.566 37.423 38.000 -0.017 0.000 1.040 397 I HN 0.388 nan 8.210 nan 0.000 0.405 398 A N 0.026 122.847 122.820 0.002 0.000 1.940 398 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 398 A C 2.324 179.925 177.584 0.028 0.000 1.176 398 A CA 2.063 54.106 52.037 0.011 0.000 0.631 398 A CB -0.724 18.282 19.000 0.009 0.000 0.814 398 A HN 0.541 nan 8.150 nan 0.000 0.446 399 E N -0.177 120.038 120.200 0.026 0.000 2.058 399 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 399 E C 1.263 177.886 176.600 0.038 0.000 0.997 399 E CA 1.482 57.902 56.400 0.033 0.000 0.801 399 E CB -0.171 29.541 29.700 0.019 0.000 0.746 399 E HN 0.550 nan 8.360 nan 0.000 0.450 400 D N 0.456 120.872 120.400 0.027 0.000 2.144 400 D HA -0.158 4.482 4.640 -0.000 0.000 0.199 400 D C 2.084 178.416 176.300 0.054 0.000 0.984 400 D CA 0.888 54.918 54.000 0.049 0.000 0.834 400 D CB -0.174 40.646 40.800 0.032 0.000 0.955 400 D HN 0.292 nan 8.370 nan 0.000 0.465 401 L N 0.073 121.316 121.223 0.034 0.000 2.131 401 L HA -0.067 4.273 4.340 -0.000 0.000 0.206 401 L C 2.458 179.365 176.870 0.061 0.000 1.087 401 L CA 0.323 55.178 54.840 0.025 0.000 0.767 401 L CB -0.188 41.875 42.059 0.007 0.000 0.917 401 L HN -0.085 nan 8.230 nan 0.000 0.441 402 V N 0.082 120.050 119.914 0.090 0.000 2.490 402 V HA -0.268 3.852 4.120 -0.000 0.000 0.250 402 V C 2.383 178.544 176.094 0.111 0.000 1.061 402 V CA 1.646 64.047 62.300 0.167 0.000 1.064 402 V CB -0.454 31.478 31.823 0.182 0.000 0.670 402 V HN 0.391 nan 8.190 nan 0.000 0.461 403 K N 0.149 120.591 120.400 0.071 0.000 2.283 403 K HA -0.074 4.246 4.320 -0.000 0.000 0.202 403 K C 1.466 178.089 176.600 0.039 0.000 1.048 403 K CA 1.444 57.760 56.287 0.048 0.000 0.948 403 K CB -0.032 32.503 32.500 0.059 0.000 0.742 403 K HN 0.596 nan 8.250 nan 0.000 0.458 404 V N -3.539 116.401 119.914 0.043 0.000 3.271 404 V HA 0.420 4.540 4.120 -0.000 0.000 0.327 404 V C 0.655 176.778 176.094 0.047 0.000 1.389 404 V CA 0.098 62.412 62.300 0.025 0.000 1.156 404 V CB -0.098 31.722 31.823 -0.005 0.000 1.103 404 V HN 0.301 nan 8.190 nan 0.000 0.453 405 G N 1.102 109.955 108.800 0.089 0.000 2.137 405 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.237 405 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.237 405 G C -0.160 174.880 174.900 0.234 0.000 1.002 405 G CA 0.331 45.526 45.100 0.159 0.000 0.702 405 G HN 0.644 nan 8.290 nan 0.000 0.515 406 I N 0.606 121.274 120.570 0.164 0.000 2.336 406 I HA 0.227 4.397 4.170 -0.000 0.000 0.292 406 I C 0.246 176.329 176.117 -0.057 0.000 0.991 406 I CA -1.020 60.318 61.300 0.062 0.000 1.227 406 I CB 1.402 39.451 38.000 0.081 0.000 1.366 406 I HN 0.025 nan 8.210 nan 0.000 0.466 407 N N 6.813 125.233 118.700 -0.466 0.000 2.421 407 N HA 0.166 4.906 4.740 -0.000 0.000 0.260 407 N C -1.134 174.141 175.510 -0.392 0.000 1.173 407 N CA 0.063 52.587 53.050 -0.876 0.000 0.960 407 N CB 0.410 38.061 38.487 -1.394 0.000 1.273 407 N HN 0.287 nan 8.380 nan 0.000 0.497 408 V N 3.182 122.978 119.914 -0.197 0.000 2.495 408 V HA 0.395 4.515 4.120 -0.000 0.000 0.298 408 V C -0.084 175.965 176.094 -0.074 0.000 1.031 408 V CA -0.819 61.427 62.300 -0.090 0.000 0.871 408 V CB 1.774 33.583 31.823 -0.024 0.000 0.988 408 V HN 0.468 nan 8.190 nan 0.000 0.432 409 E N 5.774 125.929 120.200 -0.075 0.000 2.199 409 E HA 0.432 4.782 4.350 -0.000 0.000 0.265 409 E C -2.728 173.814 176.600 -0.097 0.000 0.882 409 E CA -1.964 54.396 56.400 -0.066 0.000 0.759 409 E CB 2.641 32.301 29.700 -0.067 0.000 1.148 409 E HN 0.443 nan 8.360 nan 0.000 0.412 410 P HA 0.044 nan 4.420 nan 0.000 0.275 410 P C -1.104 175.897 177.300 -0.499 0.000 1.227 410 P CA -0.178 62.759 63.100 -0.271 0.000 0.781 410 P CB 0.595 32.173 31.700 -0.203 0.000 0.906 411 K N 1.323 121.356 120.400 -0.613 0.000 2.482 411 K HA 0.545 4.865 4.320 -0.000 0.000 0.257 411 K C -1.457 174.765 176.600 -0.629 0.000 0.969 411 K CA -0.910 55.005 56.287 -0.621 0.000 0.842 411 K CB 1.445 33.809 32.500 -0.227 0.000 1.359 411 K HN 0.199 nan 8.250 nan 0.000 0.441 412 Y N 0.834 121.173 120.300 0.065 0.000 2.584 412 Y HA 0.286 4.836 4.550 -0.000 0.000 0.358 412 Y C -2.403 173.543 175.900 0.077 0.000 1.028 412 Y CA -2.207 55.957 58.100 0.106 0.000 1.148 412 Y CB 0.527 39.129 38.460 0.236 0.000 1.126 412 Y HN 0.481 nan 8.280 nan 0.000 0.658 413 P HA 0.022 nan 4.420 nan 0.000 0.270 413 P C -0.095 177.264 177.300 0.097 0.000 1.223 413 P CA -0.179 62.972 63.100 0.084 0.000 0.785 413 P CB 1.257 32.988 31.700 0.051 0.000 0.923 414 D N 0.466 120.918 120.400 0.086 0.000 2.361 414 D HA -0.142 4.498 4.640 -0.000 0.000 0.239 414 D C 1.143 177.486 176.300 0.071 0.000 1.200 414 D CA -0.162 53.904 54.000 0.110 0.000 0.915 414 D CB -0.025 40.842 40.800 0.112 0.000 1.170 414 D HN 0.383 nan 8.370 nan 0.000 0.444 415 Y N 0.997 121.300 120.300 0.005 0.000 2.151 415 Y HA -0.293 4.257 4.550 -0.000 0.000 0.284 415 Y C 2.666 178.619 175.900 0.087 0.000 1.166 415 Y CA 2.485 60.579 58.100 -0.010 0.000 1.163 415 Y CB -0.486 37.990 38.460 0.027 0.000 0.974 415 Y HN 0.478 nan 8.280 nan 0.000 0.511 416 S N -0.355 115.397 115.700 0.087 0.000 2.356 416 S HA -0.271 4.199 4.470 -0.000 0.000 0.223 416 S C 2.195 176.768 174.600 -0.045 0.000 1.032 416 S CA 1.847 60.075 58.200 0.047 0.000 1.005 416 S CB -0.469 62.795 63.200 0.107 0.000 0.867 416 S HN 0.595 nan 8.310 nan 0.000 0.449 417 K N -0.821 119.563 120.400 -0.026 0.000 2.057 417 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 417 K C 2.073 178.611 176.600 -0.104 0.000 1.050 417 K CA 1.453 57.719 56.287 -0.035 0.000 0.935 417 K CB -0.537 31.962 32.500 -0.000 0.000 0.715 417 K HN 0.525 nan 8.250 nan 0.000 0.439 418 Y N 1.040 121.171 120.300 -0.281 0.000 2.081 418 Y HA -0.330 4.220 4.550 -0.000 0.000 0.280 418 Y C 2.027 177.621 175.900 -0.510 0.000 1.163 418 Y CA 2.151 60.014 58.100 -0.396 0.000 1.135 418 Y CB -0.636 37.522 38.460 -0.505 0.000 0.970 418 Y HN 0.181 nan 8.280 nan 0.000 0.498 419 A N -0.288 122.176 122.820 -0.594 0.000 1.908 419 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 419 A C 1.964 179.266 177.584 -0.471 0.000 1.181 419 A CA 2.146 53.766 52.037 -0.694 0.000 0.627 419 A CB -1.203 17.553 19.000 -0.407 0.000 0.818 419 A HN 0.646 nan 8.150 nan 0.000 0.445 420 D N -0.480 119.821 120.400 -0.165 0.000 2.117 420 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 420 D C 1.324 177.626 176.300 0.003 0.000 0.987 420 D CA 1.478 55.511 54.000 0.054 0.000 0.829 420 D CB -0.102 40.749 40.800 0.085 0.000 0.961 420 D HN 0.369 nan 8.370 nan 0.000 0.460 421 D N -0.218 120.096 120.400 -0.143 0.000 2.092 421 D HA -0.155 4.485 4.640 -0.000 0.000 0.193 421 D C 2.061 178.294 176.300 -0.111 0.000 0.994 421 D CA 0.580 54.515 54.000 -0.108 0.000 0.828 421 D CB -0.550 40.166 40.800 -0.141 0.000 0.963 421 D HN 0.215 nan 8.370 nan 0.000 0.450 422 L N 0.047 120.952 121.223 -0.531 0.000 1.970 422 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 422 L C 2.208 178.850 176.870 -0.380 0.000 1.071 422 L CA 1.689 56.073 54.840 -0.760 0.000 0.751 422 L CB -0.823 40.346 42.059 -1.483 0.000 0.889 422 L HN 0.038 nan 8.230 nan 0.000 0.432 423 Y N -0.255 119.914 120.300 -0.218 0.000 2.293 423 Y HA 0.046 4.596 4.550 -0.000 0.000 0.291 423 Y C 2.466 178.381 175.900 0.025 0.000 1.137 423 Y CA 0.790 58.870 58.100 -0.033 0.000 1.202 423 Y CB -1.392 37.064 38.460 -0.007 0.000 0.990 423 Y HN 0.271 nan 8.280 nan 0.000 0.537 424 G N -1.315 107.545 108.800 0.100 0.000 2.880 424 G HA2 0.259 4.219 3.960 -0.000 0.000 0.209 424 G HA3 0.259 4.219 3.960 -0.000 0.000 0.209 424 G C 1.500 176.263 174.900 -0.229 0.000 1.157 424 G CA 0.352 45.248 45.100 -0.339 0.000 0.779 424 G HN 0.575 nan 8.290 nan 0.000 0.539 425 G N 0.534 109.292 108.800 -0.071 0.000 2.179 425 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.257 425 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.257 425 G C 0.376 174.965 174.900 -0.518 0.000 1.010 425 G CA 0.421 45.367 45.100 -0.256 0.000 0.736 425 G HN 0.604 nan 8.290 nan 0.000 0.513 426 K N 0.163 120.404 120.400 -0.266 0.000 2.363 426 K HA 0.556 4.876 4.320 -0.000 0.000 0.240 426 K C -0.090 176.447 176.600 -0.104 0.000 1.169 426 K CA -0.271 55.888 56.287 -0.214 0.000 1.131 426 K CB 0.018 32.454 32.500 -0.107 0.000 1.771 426 K HN 0.552 nan 8.250 nan 0.000 0.380 427 F N -2.493 117.401 119.950 -0.094 0.000 2.745 427 F HA 0.459 4.986 4.527 -0.000 0.000 0.316 427 F C -0.181 175.585 175.800 -0.056 0.000 1.155 427 F CA -1.277 56.669 58.000 -0.090 0.000 0.937 427 F CB 0.829 39.755 39.000 -0.123 0.000 1.361 427 F HN -0.207 nan 8.300 nan 0.000 0.472 428 D N 0.625 121.158 120.400 0.220 0.000 2.584 428 D HA 0.284 4.924 4.640 -0.000 0.000 0.254 428 D C 0.063 176.560 176.300 0.328 0.000 1.085 428 D CA 1.191 55.285 54.000 0.157 0.000 0.971 428 D CB 0.236 41.085 40.800 0.081 0.000 1.103 428 D HN 0.332 nan 8.370 nan 0.000 0.453 429 L N 0.820 122.182 121.223 0.232 0.000 2.346 429 L HA 0.590 4.929 4.340 -0.000 0.000 0.274 429 L C -0.637 176.215 176.870 -0.031 0.000 1.007 429 L CA -0.708 54.208 54.840 0.126 0.000 0.818 429 L CB 2.845 44.927 42.059 0.038 0.000 1.284 429 L HN -0.047 nan 8.230 nan 0.000 0.424 430 I N 2.826 123.255 120.570 -0.234 0.000 2.607 430 I HA 0.318 4.488 4.170 -0.000 0.000 0.290 430 I C -1.314 174.659 176.117 -0.241 0.000 1.129 430 I CA -0.797 60.279 61.300 -0.375 0.000 1.042 430 I CB 2.287 39.729 38.000 -0.930 0.000 1.242 430 I HN 0.459 nan 8.210 nan 0.000 0.421 431 L N 8.853 129.966 121.223 -0.182 0.000 2.319 431 L HA 0.516 4.856 4.340 -0.000 0.000 0.280 431 L C -0.707 175.967 176.870 -0.326 0.000 1.099 431 L CA 0.617 55.277 54.840 -0.300 0.000 0.828 431 L CB 0.364 42.171 42.059 -0.420 0.000 1.150 431 L HN 0.736 nan 8.230 nan 0.000 0.442 432 N N 2.927 121.461 118.700 -0.277 0.000 2.710 432 N HA 0.324 5.064 4.740 -0.000 0.000 0.257 432 N C -1.255 174.289 175.510 0.057 0.000 1.327 432 N CA -0.249 52.722 53.050 -0.131 0.000 0.861 432 N CB 1.677 40.085 38.487 -0.131 0.000 1.532 432 N HN 0.740 nan 8.380 nan 0.000 0.499 433 N N 1.115 119.950 118.700 0.224 0.000 2.286 433 N HA 0.086 4.826 4.740 -0.000 0.000 0.245 433 N C -0.225 175.590 175.510 0.509 0.000 1.363 433 N CA -0.181 53.072 53.050 0.338 0.000 0.822 433 N CB -0.513 38.166 38.487 0.319 0.000 1.345 433 N HN 0.257 nan 8.380 nan 0.000 0.494 434 F N 1.947 122.109 119.950 0.354 0.000 2.325 434 F HA 0.103 4.630 4.527 -0.000 0.000 0.299 434 F C 2.120 178.067 175.800 0.246 0.000 1.090 434 F CA 1.432 59.616 58.000 0.307 0.000 1.392 434 F CB -0.753 38.445 39.000 0.330 0.000 1.053 434 F HN 0.288 nan 8.300 nan 0.000 0.521 435 T N -4.506 110.291 114.554 0.404 0.000 3.054 435 T HA 0.071 4.421 4.350 -0.000 0.000 0.255 435 T C 1.043 175.816 174.700 0.122 0.000 1.035 435 T CA 0.608 62.832 62.100 0.206 0.000 0.941 435 T CB -0.606 68.314 68.868 0.087 0.000 1.026 435 T HN 0.172 nan 8.240 nan 0.000 0.533 436 T N -0.957 113.708 114.554 0.186 0.000 3.215 436 T HA 0.514 4.863 4.350 -0.000 0.000 0.271 436 T C 1.004 175.835 174.700 0.218 0.000 1.012 436 T CA -0.304 61.927 62.100 0.218 0.000 0.899 436 T CB -0.003 69.007 68.868 0.236 0.000 1.089 436 T HN 0.391 nan 8.240 nan 0.000 0.552 437 G N 1.025 109.943 108.800 0.196 0.000 2.569 437 G HA2 0.453 4.413 3.960 -0.000 0.000 0.249 437 G HA3 0.453 4.413 3.960 -0.000 0.000 0.249 437 G C -0.016 174.929 174.900 0.075 0.000 1.216 437 G CA -0.570 44.632 45.100 0.170 0.000 0.845 437 G HN 0.380 nan 8.290 nan 0.000 0.568 438 V N 1.109 121.009 119.914 -0.023 0.000 2.681 438 V HA 0.289 4.409 4.120 -0.000 0.000 0.306 438 V C 0.935 176.927 176.094 -0.169 0.000 1.077 438 V CA 1.153 63.340 62.300 -0.188 0.000 1.224 438 V CB 0.172 31.802 31.823 -0.321 0.000 0.879 438 V HN 1.173 nan 8.190 nan 0.000 0.494 439 S N 3.532 119.218 115.700 -0.024 0.000 2.776 439 S HA 0.731 5.201 4.470 -0.000 0.000 0.292 439 S C 0.384 174.905 174.600 -0.131 0.000 1.187 439 S CA -0.176 58.011 58.200 -0.021 0.000 0.834 439 S CB 1.800 65.050 63.200 0.085 0.000 1.199 439 S HN 1.052 nan 8.310 nan 0.000 0.514 440 A N 0.098 122.706 122.820 -0.354 0.000 2.238 440 A HA 0.518 4.838 4.320 -0.000 0.000 0.208 440 A C 0.918 178.305 177.584 -0.329 0.000 1.177 440 A CA 0.926 52.417 52.037 -0.910 0.000 0.804 440 A CB -0.873 17.758 19.000 -0.615 0.000 0.823 440 A HN 1.241 nan 8.150 nan 0.000 0.482 441 T N -2.156 112.395 114.554 -0.005 0.000 3.159 441 T HA 0.327 4.677 4.350 -0.000 0.000 0.343 441 T C 0.463 175.124 174.700 -0.064 0.000 1.364 441 T CA -0.435 61.703 62.100 0.064 0.000 1.102 441 T CB 0.668 69.631 68.868 0.158 0.000 1.263 441 T HN 0.165 nan 8.240 nan 0.000 0.477 442 I N 3.522 123.904 120.570 -0.313 0.000 2.567 442 I HA 0.037 4.207 4.170 -0.000 0.000 0.257 442 I C 1.788 177.907 176.117 0.003 0.000 1.184 442 I CA 1.138 62.094 61.300 -0.574 0.000 1.451 442 I CB -0.050 37.727 38.000 -0.371 0.000 1.089 442 I HN 0.912 nan 8.210 nan 0.000 0.441 443 W N 1.578 122.869 121.300 -0.016 0.000 2.308 443 W HA -0.374 4.286 4.660 -0.000 0.000 0.301 443 W C 2.754 179.322 176.519 0.082 0.000 1.220 443 W CA 2.279 59.667 57.345 0.073 0.000 1.240 443 W CB -0.406 29.061 29.460 0.011 0.000 1.142 443 W HN 0.354 nan 8.180 nan 0.000 0.521 444 S N -1.177 114.533 115.700 0.017 0.000 2.399 444 S HA -0.314 4.156 4.470 -0.000 0.000 0.231 444 S C 1.800 176.263 174.600 -0.228 0.000 1.022 444 S CA 1.240 59.309 58.200 -0.219 0.000 0.983 444 S CB -1.333 61.912 63.200 0.075 0.000 0.803 444 S HN 0.534 nan 8.310 nan 0.000 0.480 445 Y N 1.756 121.903 120.300 -0.255 0.000 2.133 445 Y HA -0.000 4.550 4.550 -0.000 0.000 0.287 445 Y C 1.754 177.391 175.900 -0.438 0.000 1.134 445 Y CA 1.285 59.185 58.100 -0.333 0.000 1.133 445 Y CB -0.810 37.425 38.460 -0.376 0.000 0.987 445 Y HN 0.237 nan 8.280 nan 0.000 0.502 446 F N 0.519 120.253 119.950 -0.359 0.000 2.171 446 F HA -0.168 4.359 4.527 -0.000 0.000 0.300 446 F C 2.383 177.972 175.800 -0.351 0.000 1.090 446 F CA 1.774 59.560 58.000 -0.357 0.000 1.293 446 F CB -1.136 37.826 39.000 -0.063 0.000 1.013 446 F HN 0.157 nan 8.300 nan 0.000 0.486 447 N N 0.265 118.711 118.700 -0.424 0.000 2.120 447 N HA -0.118 4.622 4.740 -0.000 0.000 0.188 447 N C 2.137 177.464 175.510 -0.306 0.000 1.024 447 N CA 1.490 54.262 53.050 -0.463 0.000 0.852 447 N CB -0.671 37.176 38.487 -1.066 0.000 1.003 447 N HN 0.218 nan 8.380 nan 0.000 0.424 448 G N -0.636 107.926 108.800 -0.397 0.000 2.422 448 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.218 448 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.218 448 G C 1.523 176.180 174.900 -0.404 0.000 1.140 448 G CA 0.841 45.728 45.100 -0.354 0.000 0.775 448 G HN 0.236 nan 8.290 nan 0.000 0.545 449 V N -0.281 119.271 119.914 -0.603 0.000 2.346 449 V HA 0.077 4.197 4.120 -0.000 0.000 0.244 449 V C 2.086 177.930 176.094 -0.416 0.000 1.037 449 V CA 1.204 63.058 62.300 -0.743 0.000 1.029 449 V CB -0.400 30.706 31.823 -1.196 0.000 0.663 449 V HN 0.304 nan 8.190 nan 0.000 0.454 450 F N -2.254 117.620 119.950 -0.126 0.000 2.731 450 F HA 0.336 4.863 4.527 -0.000 0.000 0.298 450 F C 0.769 176.580 175.800 0.018 0.000 1.106 450 F CA -1.422 56.580 58.000 0.003 0.000 1.329 450 F CB -0.568 38.447 39.000 0.024 0.000 1.100 450 F HN 0.060 nan 8.300 nan 0.000 0.592 451 Y N 4.239 124.537 120.300 -0.003 0.000 2.299 451 Y HA -0.192 4.358 4.550 -0.000 0.000 0.436 451 Y C -1.732 174.161 175.900 -0.011 0.000 1.210 451 Y CA -1.629 56.435 58.100 -0.059 0.000 1.714 451 Y CB -0.291 38.073 38.460 -0.160 0.000 1.202 451 Y HN 0.023 nan 8.280 nan 0.000 0.406 452 P HA -0.164 nan 4.420 nan 0.000 0.218 452 P C 1.151 178.238 177.300 -0.355 0.000 1.148 452 P CA 1.918 64.878 63.100 -0.233 0.000 0.822 452 P CB 0.312 31.905 31.700 -0.177 0.000 0.784 453 D N -1.048 118.942 120.400 -0.683 0.000 2.350 453 D HA -0.040 4.600 4.640 -0.000 0.000 0.216 453 D C 1.862 177.995 176.300 -0.279 0.000 0.968 453 D CA 0.776 54.487 54.000 -0.481 0.000 0.894 453 D CB -0.522 39.964 40.800 -0.524 0.000 0.909 453 D HN 0.077 nan 8.370 nan 0.000 0.520 454 A N 0.310 122.991 122.820 -0.231 0.000 2.024 454 A HA -0.150 4.169 4.320 -0.000 0.000 0.220 454 A C 2.406 179.966 177.584 -0.040 0.000 1.164 454 A CA 0.935 52.969 52.037 -0.006 0.000 0.643 454 A CB -0.465 18.575 19.000 0.067 0.000 0.806 454 A HN 0.173 nan 8.150 nan 0.000 0.451 455 V N -0.442 119.427 119.914 -0.075 0.000 2.358 455 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 455 V C 2.335 178.388 176.094 -0.069 0.000 1.047 455 V CA 2.070 64.328 62.300 -0.069 0.000 1.035 455 V CB -0.628 31.141 31.823 -0.089 0.000 0.658 455 V HN 0.617 nan 8.190 nan 0.000 0.452 456 E N -1.205 118.953 120.200 -0.070 0.000 2.474 456 E HA 0.205 4.555 4.350 -0.000 0.000 0.195 456 E C 0.781 177.361 176.600 -0.034 0.000 1.039 456 E CA 0.303 56.671 56.400 -0.054 0.000 0.881 456 E CB 0.973 30.641 29.700 -0.053 0.000 0.970 456 E HN 0.513 nan 8.360 nan 0.000 0.486 457 S N 0.049 115.732 115.700 -0.028 0.000 2.509 457 S HA 0.251 4.721 4.470 -0.000 0.000 0.297 457 S C 0.949 175.529 174.600 -0.034 0.000 1.118 457 S CA -0.569 57.632 58.200 0.001 0.000 1.074 457 S CB 1.667 64.892 63.200 0.042 0.000 1.038 457 S HN 0.371 nan 8.310 nan 0.000 0.498 458 E N 2.920 123.101 120.200 -0.032 0.000 2.038 458 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 458 E C -0.685 175.709 176.600 -0.342 0.000 1.000 458 E CA 1.423 57.727 56.400 -0.159 0.000 0.803 458 E CB 0.026 29.675 29.700 -0.085 0.000 0.750 458 E HN 0.723 nan 8.360 nan 0.000 0.448 459 Y N -0.290 119.976 120.300 -0.057 0.000 2.377 459 Y HA 0.330 4.880 4.550 -0.000 0.000 0.339 459 Y C -0.295 175.438 175.900 -0.279 0.000 1.011 459 Y CA -0.696 57.293 58.100 -0.185 0.000 1.093 459 Y CB 2.130 40.440 38.460 -0.250 0.000 1.201 459 Y HN -0.166 nan 8.280 nan 0.000 0.455 460 S N 2.665 118.288 115.700 -0.128 0.000 2.519 460 S HA 0.394 4.864 4.470 -0.000 0.000 0.309 460 S C -0.756 173.726 174.600 -0.197 0.000 1.100 460 S CA -0.476 57.684 58.200 -0.066 0.000 1.059 460 S CB 0.325 63.599 63.200 0.123 0.000 1.008 460 S HN 0.600 nan 8.310 nan 0.000 0.478 461 Y N 2.402 122.725 120.300 0.038 0.000 2.467 461 Y HA 0.334 4.884 4.550 -0.000 0.000 0.250 461 Y C 1.907 177.785 175.900 -0.038 0.000 1.155 461 Y CA -0.298 57.733 58.100 -0.116 0.000 1.249 461 Y CB 0.573 38.778 38.460 -0.425 0.000 1.146 461 Y HN 0.584 nan 8.280 nan 0.000 0.524 462 S N -0.635 114.914 115.700 -0.252 0.000 2.559 462 S HA 0.542 5.012 4.470 -0.000 0.000 0.226 462 S C 0.816 175.021 174.600 -0.659 0.000 1.000 462 S CA 0.426 58.281 58.200 -0.576 0.000 0.948 462 S CB 0.611 63.055 63.200 -1.260 0.000 0.870 462 S HN 0.589 nan 8.310 nan 0.000 0.497 463 G N 1.807 110.076 108.800 -0.884 0.000 2.347 463 G HA2 0.170 4.130 3.960 -0.000 0.000 0.341 463 G HA3 0.170 4.130 3.960 -0.000 0.000 0.341 463 G C -0.716 173.589 174.900 -0.992 0.000 1.287 463 G CA -0.516 43.883 45.100 -1.167 0.000 0.984 463 G HN 0.119 nan 8.290 nan 0.000 0.526 464 N N -1.217 117.124 118.700 -0.598 0.000 2.705 464 N HA -0.174 4.566 4.740 -0.000 0.000 0.255 464 N C 0.750 176.142 175.510 -0.197 0.000 1.008 464 N CA 1.464 54.411 53.050 -0.171 0.000 0.742 464 N CB -1.163 37.351 38.487 0.045 0.000 0.906 464 N HN 0.735 nan 8.380 nan 0.000 0.541 465 F N -1.098 118.781 119.950 -0.118 0.000 2.293 465 F HA 0.146 4.673 4.527 -0.000 0.000 0.300 465 F C 2.459 178.383 175.800 0.206 0.000 1.086 465 F CA 1.295 59.269 58.000 -0.044 0.000 1.375 465 F CB -0.455 38.351 39.000 -0.324 0.000 1.045 465 F HN 0.368 nan 8.300 nan 0.000 0.516 466 G N -0.613 108.470 108.800 0.473 0.000 2.920 466 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.208 466 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.208 466 G C 0.571 175.545 174.900 0.123 0.000 1.159 466 G CA -0.085 45.188 45.100 0.289 0.000 0.784 466 G HN 0.300 nan 8.290 nan 0.000 0.535 467 K N -1.339 119.139 120.400 0.130 0.000 3.162 467 K HA -0.242 4.078 4.320 -0.000 0.000 0.268 467 K C -0.410 176.256 176.600 0.111 0.000 1.062 467 K CA 0.057 56.387 56.287 0.072 0.000 0.769 467 K CB -1.866 30.629 32.500 -0.009 0.000 1.274 467 K HN 0.507 nan 8.250 nan 0.000 0.478 468 Y N 0.919 121.255 120.300 0.060 0.000 2.377 468 Y HA 0.330 4.880 4.550 -0.000 0.000 0.330 468 Y C 0.179 176.106 175.900 0.045 0.000 1.108 468 Y CA -0.048 58.095 58.100 0.071 0.000 1.308 468 Y CB 0.717 39.260 38.460 0.138 0.000 1.216 468 Y HN 0.256 nan 8.280 nan 0.000 0.518 469 A N 6.128 128.627 122.820 -0.534 0.000 2.303 469 A HA 0.561 4.881 4.320 -0.000 0.000 0.320 469 A C -1.128 176.031 177.584 -0.709 0.000 1.192 469 A CA -0.717 51.035 52.037 -0.476 0.000 0.821 469 A CB 0.626 19.466 19.000 -0.266 0.000 1.188 469 A HN 0.771 nan 8.150 nan 0.000 0.492 470 N N 3.071 121.469 118.700 -0.503 0.000 2.616 470 N HA 0.321 5.061 4.740 -0.000 0.000 0.281 470 N C -2.682 172.687 175.510 -0.234 0.000 1.145 470 N CA -1.320 51.506 53.050 -0.373 0.000 0.919 470 N CB 2.226 40.499 38.487 -0.356 0.000 1.509 470 N HN 0.137 nan 8.380 nan 0.000 0.537 471 P HA -0.069 nan 4.420 nan 0.000 0.218 471 P C 0.969 178.186 177.300 -0.139 0.000 1.149 471 P CA 0.898 63.912 63.100 -0.142 0.000 0.817 471 P CB 0.598 32.230 31.700 -0.113 0.000 0.785 472 E N -0.141 119.974 120.200 -0.142 0.000 2.153 472 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 472 E C 1.764 178.250 176.600 -0.190 0.000 0.988 472 E CA 0.813 57.127 56.400 -0.143 0.000 0.811 472 E CB -0.233 29.392 29.700 -0.126 0.000 0.746 472 E HN -0.044 nan 8.360 nan 0.000 0.466 473 V N 1.073 120.839 119.914 -0.248 0.000 2.358 473 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 473 V C 2.342 178.277 176.094 -0.264 0.000 1.047 473 V CA 2.168 64.240 62.300 -0.380 0.000 1.035 473 V CB -0.429 31.058 31.823 -0.561 0.000 0.658 473 V HN 0.366 nan 8.190 nan 0.000 0.452 474 E N -0.116 119.970 120.200 -0.188 0.000 2.077 474 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 474 E C 2.185 178.724 176.600 -0.102 0.000 0.989 474 E CA 1.848 58.172 56.400 -0.126 0.000 0.800 474 E CB -0.155 29.476 29.700 -0.116 0.000 0.746 474 E HN 0.600 nan 8.360 nan 0.000 0.452 475 T N 1.350 115.837 114.554 -0.112 0.000 2.684 475 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 475 T C 1.857 176.498 174.700 -0.098 0.000 1.036 475 T CA 1.360 63.403 62.100 -0.096 0.000 1.148 475 T CB -0.204 68.608 68.868 -0.094 0.000 0.863 475 T HN 0.153 nan 8.240 nan 0.000 0.436 476 L N 0.168 121.315 121.223 -0.127 0.000 2.056 476 L HA 0.019 4.359 4.340 -0.000 0.000 0.207 476 L C 2.540 179.353 176.870 -0.095 0.000 1.078 476 L CA 0.920 55.679 54.840 -0.134 0.000 0.749 476 L CB -0.528 41.414 42.059 -0.194 0.000 0.901 476 L HN 0.228 nan 8.230 nan 0.000 0.433 477 L N -0.293 120.886 121.223 -0.074 0.000 2.042 477 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 477 L C 2.195 179.148 176.870 0.139 0.000 1.076 477 L CA 1.234 56.111 54.840 0.063 0.000 0.749 477 L CB -0.485 41.619 42.059 0.075 0.000 0.893 477 L HN 0.333 nan 8.230 nan 0.000 0.432 478 D N -0.402 120.016 120.400 0.029 0.000 2.144 478 D HA -0.164 4.476 4.640 -0.000 0.000 0.200 478 D C 2.092 178.344 176.300 -0.080 0.000 0.978 478 D CA 0.946 54.927 54.000 -0.031 0.000 0.833 478 D CB -0.002 40.762 40.800 -0.060 0.000 0.961 478 D HN 0.359 nan 8.370 nan 0.000 0.470 479 E N 0.006 120.164 120.200 -0.071 0.000 2.077 479 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 479 E C 2.017 178.567 176.600 -0.082 0.000 0.989 479 E CA 0.320 56.670 56.400 -0.083 0.000 0.800 479 E CB -0.045 29.606 29.700 -0.082 0.000 0.746 479 E HN 0.095 nan 8.360 nan 0.000 0.452 480 L N 1.855 123.048 121.223 -0.050 0.000 1.994 480 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 480 L C 1.912 178.736 176.870 -0.076 0.000 1.071 480 L CA 1.825 56.648 54.840 -0.029 0.000 0.745 480 L CB -0.744 41.355 42.059 0.067 0.000 0.892 480 L HN 0.039 nan 8.230 nan 0.000 0.431 481 N N 0.297 118.902 118.700 -0.158 0.000 2.149 481 N HA -0.197 4.543 4.740 -0.000 0.000 0.188 481 N C 1.773 177.044 175.510 -0.398 0.000 1.019 481 N CA 1.488 54.218 53.050 -0.532 0.000 0.857 481 N CB -0.101 37.945 38.487 -0.734 0.000 0.997 481 N HN 0.413 nan 8.380 nan 0.000 0.426 482 R N -0.578 119.751 120.500 -0.285 0.000 2.320 482 R HA 0.180 4.520 4.340 -0.000 0.000 0.211 482 R C 0.106 176.397 176.300 -0.015 0.000 0.931 482 R CA -0.110 55.829 56.100 -0.268 0.000 1.071 482 R CB 0.226 30.380 30.300 -0.244 0.000 1.025 482 R HN -0.028 nan 8.270 nan 0.000 0.495 483 S N 0.038 115.744 115.700 0.009 0.000 2.509 483 S HA 0.237 4.707 4.470 -0.000 0.000 0.297 483 S C 0.033 174.611 174.600 -0.037 0.000 1.118 483 S CA -0.690 57.513 58.200 0.005 0.000 1.074 483 S CB 1.165 64.325 63.200 -0.067 0.000 1.038 483 S HN 0.098 nan 8.310 nan 0.000 0.498 484 N N 2.593 121.131 118.700 -0.269 0.000 2.291 484 N HA 0.243 4.983 4.740 -0.000 0.000 0.244 484 N C -1.492 173.895 175.510 -0.206 0.000 1.216 484 N CA -0.226 52.594 53.050 -0.383 0.000 0.879 484 N CB 0.454 38.370 38.487 -0.952 0.000 1.167 484 N HN 0.675 nan 8.380 nan 0.000 0.515 485 D N -0.848 119.478 120.400 -0.123 0.000 2.425 485 D HA 0.242 4.882 4.640 -0.000 0.000 0.240 485 D C 0.449 176.755 176.300 0.010 0.000 1.080 485 D CA -0.421 53.545 54.000 -0.056 0.000 0.836 485 D CB 1.093 41.855 40.800 -0.064 0.000 1.125 485 D HN -0.134 nan 8.370 nan 0.000 0.525 486 D N 2.728 123.181 120.400 0.089 0.000 2.149 486 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 486 D C 1.827 178.235 176.300 0.180 0.000 0.990 486 D CA 1.343 55.482 54.000 0.232 0.000 0.839 486 D CB -0.044 40.903 40.800 0.245 0.000 0.948 486 D HN 0.535 nan 8.370 nan 0.000 0.460 487 A N 0.570 123.446 122.820 0.092 0.000 1.898 487 A HA -0.189 4.130 4.320 -0.000 0.000 0.216 487 A C 2.093 179.693 177.584 0.026 0.000 1.181 487 A CA 1.917 53.994 52.037 0.065 0.000 0.620 487 A CB -0.355 18.669 19.000 0.039 0.000 0.819 487 A HN 0.102 nan 8.150 nan 0.000 0.442 488 K N 0.351 120.747 120.400 -0.007 0.000 2.057 488 K HA 0.021 4.341 4.320 -0.000 0.000 0.206 488 K C 1.591 178.143 176.600 -0.079 0.000 1.050 488 K CA 1.519 57.781 56.287 -0.041 0.000 0.935 488 K CB -0.629 31.840 32.500 -0.052 0.000 0.715 488 K HN 0.478 nan 8.250 nan 0.000 0.439 489 I N 0.789 121.288 120.570 -0.118 0.000 2.208 489 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 489 I C 2.490 178.444 176.117 -0.272 0.000 1.097 489 I CA 1.524 62.662 61.300 -0.270 0.000 1.363 489 I CB -0.286 37.422 38.000 -0.487 0.000 1.051 489 I HN 0.247 nan 8.210 nan 0.000 0.413 490 K N 0.671 121.017 120.400 -0.090 0.000 2.057 490 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 490 K C 2.317 178.918 176.600 0.002 0.000 1.049 490 K CA 1.875 58.202 56.287 0.067 0.000 0.931 490 K CB -0.086 32.540 32.500 0.211 0.000 0.714 490 K HN 0.140 nan 8.250 nan 0.000 0.440 491 E N -0.185 120.004 120.200 -0.018 0.000 2.058 491 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 491 E C 1.899 178.454 176.600 -0.075 0.000 0.997 491 E CA 1.500 57.880 56.400 -0.034 0.000 0.801 491 E CB -0.499 29.182 29.700 -0.032 0.000 0.746 491 E HN 0.338 nan 8.360 nan 0.000 0.450 492 V N 0.375 120.223 119.914 -0.110 0.000 2.358 492 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 492 V C 2.645 178.607 176.094 -0.220 0.000 1.047 492 V CA 1.787 63.995 62.300 -0.154 0.000 1.035 492 V CB -0.525 31.206 31.823 -0.154 0.000 0.658 492 V HN 0.393 nan 8.190 nan 0.000 0.452 493 V N 0.460 120.242 119.914 -0.219 0.000 2.392 493 V HA -0.275 3.845 4.120 -0.000 0.000 0.249 493 V C 2.707 178.704 176.094 -0.162 0.000 1.059 493 V CA 2.019 64.165 62.300 -0.258 0.000 1.051 493 V CB -1.124 30.665 31.823 -0.057 0.000 0.658 493 V HN 0.566 nan 8.190 nan 0.000 0.455 494 A N -0.330 122.442 122.820 -0.080 0.000 1.902 494 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 494 A C 2.311 179.857 177.584 -0.063 0.000 1.181 494 A CA 1.908 53.920 52.037 -0.041 0.000 0.623 494 A CB -0.386 18.605 19.000 -0.014 0.000 0.818 494 A HN 0.545 nan 8.150 nan 0.000 0.443 495 K N -0.508 119.831 120.400 -0.103 0.000 2.057 495 K HA 0.030 4.350 4.320 -0.000 0.000 0.206 495 K C 1.863 178.374 176.600 -0.149 0.000 1.050 495 K CA 1.186 57.404 56.287 -0.115 0.000 0.935 495 K CB -0.341 32.088 32.500 -0.120 0.000 0.715 495 K HN 0.432 nan 8.250 nan 0.000 0.439 496 L N 0.789 121.868 121.223 -0.240 0.000 2.083 496 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 496 L C 2.331 179.196 176.870 -0.008 0.000 1.083 496 L CA 1.078 55.756 54.840 -0.270 0.000 0.752 496 L CB -0.273 41.375 42.059 -0.686 0.000 0.899 496 L HN 0.116 nan 8.230 nan 0.000 0.433 497 S N -0.745 114.957 115.700 0.004 0.000 2.383 497 S HA -0.224 4.246 4.470 -0.000 0.000 0.227 497 S C 1.834 176.508 174.600 0.124 0.000 1.026 497 S CA 1.282 59.602 58.200 0.201 0.000 0.981 497 S CB -0.144 63.166 63.200 0.183 0.000 0.818 497 S HN 0.433 nan 8.310 nan 0.000 0.472 498 E N 1.084 121.295 120.200 0.018 0.000 2.058 498 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 498 E C 1.893 178.440 176.600 -0.088 0.000 0.997 498 E CA 1.198 57.540 56.400 -0.097 0.000 0.801 498 E CB -0.204 29.379 29.700 -0.194 0.000 0.746 498 E HN 0.490 nan 8.360 nan 0.000 0.450 499 I N 0.681 121.237 120.570 -0.024 0.000 2.226 499 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 499 I C 2.510 178.722 176.117 0.159 0.000 1.100 499 I CA 0.422 61.744 61.300 0.036 0.000 1.374 499 I CB -0.270 37.722 38.000 -0.012 0.000 1.057 499 I HN 0.261 nan 8.210 nan 0.000 0.413 500 L N 0.851 122.258 121.223 0.306 0.000 2.012 500 L HA -0.199 4.140 4.340 -0.000 0.000 0.210 500 L C 2.247 179.193 176.870 0.127 0.000 1.073 500 L CA 1.942 56.938 54.840 0.259 0.000 0.748 500 L CB -0.560 41.674 42.059 0.291 0.000 0.891 500 L HN 0.155 nan 8.230 nan 0.000 0.431 501 L N -1.147 120.160 121.223 0.140 0.000 2.156 501 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 501 L C 2.518 179.451 176.870 0.106 0.000 1.095 501 L CA 1.027 55.962 54.840 0.157 0.000 0.770 501 L CB -0.428 41.744 42.059 0.188 0.000 0.914 501 L HN 0.254 nan 8.230 nan 0.000 0.439 502 K N -0.409 120.014 120.400 0.038 0.000 2.076 502 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 502 K C 1.203 177.822 176.600 0.033 0.000 1.051 502 K CA 1.077 57.378 56.287 0.023 0.000 0.949 502 K CB 0.098 32.567 32.500 -0.051 0.000 0.726 502 K HN 0.158 nan 8.250 nan 0.000 0.443 503 D N -0.028 120.385 120.400 0.021 0.000 2.392 503 D HA 0.126 4.766 4.640 -0.000 0.000 0.206 503 D C 0.056 176.300 176.300 -0.093 0.000 1.046 503 D CA 0.075 54.074 54.000 -0.001 0.000 0.865 503 D CB 0.291 41.117 40.800 0.042 0.000 0.969 503 D HN -0.011 nan 8.370 nan 0.000 0.509 504 L N 1.473 122.632 121.223 -0.106 0.000 3.965 504 L HA -0.185 4.155 4.340 -0.000 0.000 0.499 504 L C -1.428 175.334 176.870 -0.180 0.000 1.194 504 L CA -0.395 54.355 54.840 -0.149 0.000 0.707 504 L CB -0.926 41.027 42.059 -0.176 0.000 1.414 504 L HN 0.155 nan 8.230 nan 0.000 0.802 505 P HA -0.121 nan 4.420 nan 0.000 0.229 505 P C 0.184 177.450 177.300 -0.056 0.000 1.160 505 P CA 1.046 64.036 63.100 -0.183 0.000 0.777 505 P CB 0.159 31.625 31.700 -0.390 0.000 0.814 506 F N 0.592 120.335 119.950 -0.344 0.000 2.561 506 F HA 0.499 5.026 4.527 -0.000 0.000 0.313 506 F C -1.088 174.511 175.800 -0.336 0.000 1.126 506 F CA -1.508 56.215 58.000 -0.463 0.000 0.918 506 F CB 1.402 39.968 39.000 -0.723 0.000 1.199 506 F HN -0.377 nan 8.300 nan 0.000 0.444 507 I N 7.918 127.979 120.570 -0.848 0.000 2.330 507 I HA 0.325 4.495 4.170 -0.000 0.000 0.286 507 I C -2.378 173.180 176.117 -0.932 0.000 1.025 507 I CA -2.057 58.829 61.300 -0.689 0.000 1.197 507 I CB 1.229 38.914 38.000 -0.524 0.000 1.358 507 I HN 0.384 nan 8.210 nan 0.000 0.467 508 P HA 0.169 nan 4.420 nan 0.000 0.271 508 P C 0.087 177.254 177.300 -0.221 0.000 1.216 508 P CA 0.087 62.927 63.100 -0.434 0.000 0.771 508 P CB 1.160 32.836 31.700 -0.041 0.000 0.864 509 L N 1.280 122.350 121.223 -0.255 0.000 2.638 509 L HA 0.394 4.734 4.340 -0.000 0.000 0.195 509 L C 0.184 177.086 176.870 0.053 0.000 1.065 509 L CA 0.236 55.060 54.840 -0.027 0.000 0.859 509 L CB -0.034 42.104 42.059 0.132 0.000 1.269 509 L HN 0.499 nan 8.230 nan 0.000 0.484 510 W N -2.046 119.081 121.300 -0.288 0.000 3.042 510 W HA 0.543 5.203 4.660 -0.000 0.000 0.342 510 W C -1.876 174.415 176.519 -0.379 0.000 1.240 510 W CA -1.180 55.946 57.345 -0.365 0.000 1.166 510 W CB 0.273 29.624 29.460 -0.183 0.000 1.469 510 W HN -0.190 nan 8.180 nan 0.000 0.579 511 Y N 2.794 123.124 120.300 0.050 0.000 2.404 511 Y HA 0.275 4.825 4.550 -0.000 0.000 0.344 511 Y C 0.597 176.477 175.900 -0.032 0.000 0.970 511 Y CA -0.804 57.245 58.100 -0.085 0.000 1.180 511 Y CB 0.041 38.474 38.460 -0.044 0.000 1.138 511 Y HN 0.378 nan 8.280 nan 0.000 0.510 512 N N 1.559 120.219 118.700 -0.066 0.000 2.508 512 N HA 0.215 4.955 4.740 -0.000 0.000 0.264 512 N C 0.312 175.690 175.510 -0.219 0.000 1.216 512 N CA 0.156 53.213 53.050 0.012 0.000 0.943 512 N CB 0.819 39.387 38.487 0.135 0.000 1.113 512 N HN 0.862 nan 8.380 nan 0.000 0.447 513 G N 0.495 108.842 108.800 -0.755 0.000 2.483 513 G HA2 0.426 4.386 3.960 -0.000 0.000 0.248 513 G HA3 0.426 4.386 3.960 -0.000 0.000 0.248 513 G C -0.429 173.780 174.900 -1.151 0.000 1.248 513 G CA -0.376 43.990 45.100 -1.224 0.000 0.838 513 G HN 0.698 nan 8.290 nan 0.000 0.566 514 A N 2.400 124.822 122.820 -0.663 0.000 2.807 514 A HA 0.423 4.743 4.320 -0.000 0.000 0.307 514 A C -0.101 177.173 177.584 -0.517 0.000 1.532 514 A CA -0.726 50.889 52.037 -0.704 0.000 1.215 514 A CB -0.501 18.061 19.000 -0.731 0.000 1.127 514 A HN 0.638 nan 8.150 nan 0.000 0.543 515 W N 1.659 122.921 121.300 -0.062 0.000 2.322 515 W HA 0.388 5.047 4.660 -0.000 0.000 0.328 515 W C -0.138 176.372 176.519 -0.016 0.000 1.395 515 W CA -0.089 57.313 57.345 0.096 0.000 1.267 515 W CB 0.199 29.855 29.460 0.327 0.000 1.259 515 W HN 0.575 nan 8.180 nan 0.000 0.560 516 F N 4.227 124.268 119.950 0.151 0.000 2.630 516 F HA 0.390 4.917 4.527 -0.000 0.000 0.325 516 F C -1.317 174.530 175.800 0.079 0.000 1.184 516 F CA -1.206 56.822 58.000 0.047 0.000 1.011 516 F CB 0.936 39.922 39.000 -0.023 0.000 1.268 516 F HN 0.369 nan 8.300 nan 0.000 0.480 517 Q N 4.306 123.758 119.800 -0.580 0.000 2.421 517 Q HA 0.941 5.281 4.340 -0.000 0.000 0.280 517 Q C -1.483 173.989 176.000 -0.880 0.000 1.085 517 Q CA -1.029 54.299 55.803 -0.792 0.000 0.807 517 Q CB 2.408 30.953 28.738 -0.322 0.000 1.405 517 Q HN 0.856 nan 8.270 nan 0.000 0.419 518 A N 0.460 122.743 122.820 -0.894 0.000 2.515 518 A HA 0.809 5.128 4.320 -0.000 0.000 0.298 518 A C -1.050 176.292 177.584 -0.403 0.000 1.059 518 A CA -0.696 50.858 52.037 -0.805 0.000 0.698 518 A CB 1.989 19.979 19.000 -1.684 0.000 1.289 518 A HN 0.508 nan 8.150 nan 0.000 0.404 519 S N 0.074 115.675 115.700 -0.166 0.000 2.541 519 S HA 0.377 4.847 4.470 -0.000 0.000 0.283 519 S C 0.121 174.846 174.600 0.209 0.000 1.196 519 S CA -0.328 57.888 58.200 0.026 0.000 1.062 519 S CB 0.678 63.929 63.200 0.085 0.000 1.009 519 S HN 0.600 nan 8.310 nan 0.000 0.502 520 E N 3.169 123.494 120.200 0.208 0.000 2.437 520 E HA 0.220 4.570 4.350 -0.000 0.000 0.195 520 E C 1.484 178.203 176.600 0.198 0.000 1.029 520 E CA -0.096 56.479 56.400 0.291 0.000 0.948 520 E CB 0.170 30.014 29.700 0.240 0.000 1.082 520 E HN 0.738 nan 8.360 nan 0.000 0.456 521 A N 0.497 123.422 122.820 0.175 0.000 1.908 521 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 521 A C 2.104 179.746 177.584 0.097 0.000 1.181 521 A CA 1.533 53.643 52.037 0.120 0.000 0.627 521 A CB 0.038 19.104 19.000 0.110 0.000 0.818 521 A HN 0.203 nan 8.150 nan 0.000 0.445 522 V N -4.264 115.733 119.914 0.138 0.000 3.058 522 V HA 0.112 4.232 4.120 -0.000 0.000 0.233 522 V C 0.162 176.139 176.094 -0.194 0.000 1.255 522 V CA 0.018 62.293 62.300 -0.043 0.000 1.267 522 V CB -0.206 31.606 31.823 -0.018 0.000 1.049 522 V HN 0.601 nan 8.190 nan 0.000 0.486 523 W N 0.083 121.485 121.300 0.170 0.000 2.469 523 W HA 0.661 5.321 4.660 -0.000 0.000 0.320 523 W C 0.321 176.894 176.519 0.090 0.000 1.086 523 W CA 0.051 57.433 57.345 0.062 0.000 1.211 523 W CB 1.429 30.905 29.460 0.028 0.000 1.298 523 W HN -0.127 nan 8.180 nan 0.000 0.525 524 T N 0.961 115.583 114.554 0.112 0.000 2.693 524 T HA 0.300 4.650 4.350 -0.000 0.000 0.278 524 T C -0.034 174.590 174.700 -0.128 0.000 0.994 524 T CA -0.494 61.653 62.100 0.078 0.000 1.033 524 T CB 0.803 69.737 68.868 0.110 0.000 1.342 524 T HN 0.477 nan 8.240 nan 0.000 0.538 525 N N -0.224 118.476 118.700 0.001 0.000 2.776 525 N HA -0.130 4.610 4.740 -0.000 0.000 0.249 525 N C -1.234 174.299 175.510 0.038 0.000 1.111 525 N CA 0.644 53.704 53.050 0.016 0.000 0.711 525 N CB -1.530 36.941 38.487 -0.026 0.000 1.065 525 N HN 0.516 nan 8.380 nan 0.000 0.556 526 W N 0.538 121.908 121.300 0.118 0.000 2.148 526 W HA 0.218 4.878 4.660 -0.000 0.000 0.347 526 W C -1.463 175.003 176.519 -0.089 0.000 1.288 526 W CA -0.946 56.416 57.345 0.030 0.000 1.252 526 W CB -0.003 29.531 29.460 0.124 0.000 1.156 526 W HN 0.119 nan 8.180 nan 0.000 0.580 527 P HA 0.212 nan 4.420 nan 0.000 0.275 527 P C -0.301 176.772 177.300 -0.379 0.000 1.227 527 P CA -0.004 62.756 63.100 -0.567 0.000 0.781 527 P CB 1.329 32.442 31.700 -0.979 0.000 0.906 528 T N -2.494 111.609 114.554 -0.751 0.000 2.731 528 T HA 0.213 4.563 4.350 -0.000 0.000 0.300 528 T C 0.919 174.564 174.700 -1.758 0.000 1.283 528 T CA -0.661 60.734 62.100 -1.176 0.000 1.005 528 T CB 1.186 69.757 68.868 -0.495 0.000 1.420 528 T HN 0.380 nan 8.240 nan 0.000 0.503 529 E N 0.116 119.248 120.200 -1.780 0.000 2.160 529 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 529 E C 1.301 177.634 176.600 -0.445 0.000 0.991 529 E CA 0.960 56.754 56.400 -1.011 0.000 0.810 529 E CB 0.025 29.427 29.700 -0.497 0.000 0.742 529 E HN 0.395 nan 8.360 nan 0.000 0.466 530 K N 0.382 120.568 120.400 -0.357 0.000 2.366 530 K HA -0.047 4.273 4.320 -0.000 0.000 0.198 530 K C 0.737 177.252 176.600 -0.142 0.000 1.044 530 K CA 0.428 56.611 56.287 -0.174 0.000 0.973 530 K CB -0.053 32.379 32.500 -0.113 0.000 0.767 530 K HN 0.021 nan 8.250 nan 0.000 0.475 531 N N 0.545 119.118 118.700 -0.211 0.000 2.711 531 N HA 0.098 4.838 4.740 -0.000 0.000 0.263 531 N C -2.805 172.628 175.510 -0.128 0.000 1.667 531 N CA -1.588 51.418 53.050 -0.073 0.000 0.785 531 N CB 0.965 39.467 38.487 0.025 0.000 1.231 531 N HN -0.169 nan 8.380 nan 0.000 0.503 532 P HA 0.115 nan 4.420 nan 0.000 0.220 532 P C -0.045 177.303 177.300 0.080 0.000 1.806 532 P CA -0.275 62.786 63.100 -0.065 0.000 0.976 532 P CB -0.914 30.843 31.700 0.095 0.000 1.952 533 Y N 0.184 120.501 120.300 0.028 0.000 2.511 533 Y HA 0.609 5.159 4.550 -0.000 0.000 0.279 533 Y C 0.310 176.212 175.900 0.004 0.000 1.157 533 Y CA -0.866 57.245 58.100 0.018 0.000 1.300 533 Y CB -0.005 38.452 38.460 -0.004 0.000 1.052 533 Y HN 0.239 nan 8.280 nan 0.000 0.529 534 A N -0.429 122.263 122.820 -0.214 0.000 2.586 534 A HA 0.608 4.928 4.320 -0.000 0.000 0.291 534 A C -1.870 175.568 177.584 -0.243 0.000 1.062 534 A CA -0.674 51.233 52.037 -0.216 0.000 0.666 534 A CB 0.660 19.485 19.000 -0.292 0.000 1.281 534 A HN 0.005 nan 8.150 nan 0.000 0.421 535 V N 2.811 122.553 119.914 -0.286 0.000 2.348 535 V HA 0.407 4.527 4.120 -0.000 0.000 0.270 535 V C -1.929 173.900 176.094 -0.442 0.000 1.037 535 V CA -1.022 61.049 62.300 -0.382 0.000 0.872 535 V CB 1.289 32.955 31.823 -0.262 0.000 1.002 535 V HN 0.668 nan 8.190 nan 0.000 0.464 536 P HA 0.283 nan 4.420 nan 0.000 0.220 536 P C -0.680 176.411 177.300 -0.348 0.000 1.806 536 P CA 0.055 62.773 63.100 -0.636 0.000 0.976 536 P CB -0.025 30.909 31.700 -1.276 0.000 1.952 537 I N 0.512 120.809 120.570 -0.455 0.000 2.466 537 I HA 0.326 4.496 4.170 -0.000 0.000 0.289 537 I C 1.229 176.834 176.117 -0.853 0.000 1.026 537 I CA -0.572 60.263 61.300 -0.774 0.000 1.078 537 I CB 1.832 39.139 38.000 -1.154 0.000 1.249 537 I HN 0.073 nan 8.210 nan 0.000 0.429 538 G N 5.127 113.347 108.800 -0.965 0.000 3.453 538 G HA2 0.073 4.033 3.960 -0.000 0.000 0.263 538 G HA3 0.073 4.033 3.960 -0.000 0.000 0.263 538 G C -0.055 174.884 174.900 0.065 0.000 1.060 538 G CA -0.113 44.375 45.100 -1.021 0.000 0.793 538 G HN 0.424 nan 8.290 nan 0.000 0.532 539 W N 1.193 122.454 121.300 -0.066 0.000 2.187 539 W HA 0.156 4.816 4.660 -0.000 0.000 0.348 539 W C 0.677 177.389 176.519 0.321 0.000 1.282 539 W CA -1.343 56.072 57.345 0.116 0.000 1.271 539 W CB -0.145 29.301 29.460 -0.025 0.000 1.170 539 W HN 0.108 nan 8.180 nan 0.000 0.583 540 N N 0.704 119.737 118.700 0.554 0.000 2.356 540 N HA 0.172 4.912 4.740 -0.000 0.000 0.252 540 N C 1.093 176.881 175.510 0.463 0.000 1.241 540 N CA 2.127 55.451 53.050 0.457 0.000 0.861 540 N CB 0.472 39.136 38.487 0.294 0.000 1.075 540 N HN 0.654 nan 8.380 nan 0.000 0.461 541 G N 2.072 111.087 108.800 0.359 0.000 2.234 541 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.235 541 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.235 541 G C 0.560 175.481 174.900 0.035 0.000 0.997 541 G CA 0.322 45.531 45.100 0.181 0.000 0.623 541 G HN 0.632 nan 8.290 nan 0.000 0.514 542 W N -0.256 121.099 121.300 0.091 0.000 3.013 542 W HA 0.508 5.168 4.660 -0.000 0.000 0.280 542 W C 1.937 178.328 176.519 -0.213 0.000 1.249 542 W CA 0.028 57.317 57.345 -0.092 0.000 1.577 542 W CB -0.274 29.068 29.460 -0.197 0.000 1.057 542 W HN 0.261 nan 8.180 nan 0.000 0.613 543 W N 1.645 122.986 121.300 0.068 0.000 2.374 543 W HA -0.197 4.463 4.660 -0.000 0.000 0.288 543 W C 2.483 178.909 176.519 -0.155 0.000 1.218 543 W CA 1.688 58.981 57.345 -0.087 0.000 1.245 543 W CB -0.761 28.624 29.460 -0.125 0.000 1.126 543 W HN -0.071 nan 8.180 nan 0.000 0.545 544 Q N 0.341 120.192 119.800 0.084 0.000 2.403 544 Q HA 0.029 4.369 4.340 -0.000 0.000 0.203 544 Q C 1.213 177.194 176.000 -0.032 0.000 0.932 544 Q CA 0.922 56.716 55.803 -0.015 0.000 0.945 544 Q CB -0.581 28.173 28.738 0.027 0.000 1.045 544 Q HN 0.395 nan 8.270 nan 0.000 0.511 545 L N 2.006 123.183 121.223 -0.076 0.000 2.728 545 L HA 0.124 4.464 4.340 -0.000 0.000 0.235 545 L C 0.235 177.033 176.870 -0.122 0.000 1.197 545 L CA 0.670 55.438 54.840 -0.121 0.000 0.992 545 L CB -0.253 41.636 42.059 -0.283 0.000 1.263 545 L HN 0.428 nan 8.230 nan 0.000 0.484 546 T N -6.487 107.993 114.554 -0.123 0.000 5.393 546 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 546 T C 1.211 175.782 174.700 -0.214 0.000 2.207 546 T CA 0.566 62.577 62.100 -0.148 0.000 3.771 546 T CB -2.094 66.704 68.868 -0.117 0.000 0.494 546 T HN 0.450 nan 8.240 nan 0.000 1.125 547 G N 1.114 109.759 108.800 -0.258 0.000 2.450 547 G HA2 0.028 3.988 3.960 -0.000 0.000 0.220 547 G HA3 0.028 3.988 3.960 -0.000 0.000 0.220 547 G C 1.275 175.922 174.900 -0.422 0.000 1.130 547 G CA 1.009 45.827 45.100 -0.470 0.000 0.760 547 G HN 0.771 nan 8.290 nan 0.000 0.557 548 I N 0.597 121.081 120.570 -0.145 0.000 2.335 548 I HA -0.109 4.061 4.170 -0.000 0.000 0.251 548 I C 2.448 178.252 176.117 -0.522 0.000 1.129 548 I CA 1.389 62.652 61.300 -0.062 0.000 1.402 548 I CB -0.072 37.873 38.000 -0.092 0.000 1.069 548 I HN 0.072 nan 8.210 nan 0.000 0.424 549 K N -0.609 119.533 120.400 -0.430 0.000 2.439 549 K HA -0.056 4.264 4.320 -0.000 0.000 0.197 549 K C 1.796 178.174 176.600 -0.370 0.000 1.041 549 K CA 1.272 57.286 56.287 -0.455 0.000 0.970 549 K CB -0.207 32.254 32.500 -0.064 0.000 0.773 549 K HN 0.370 nan 8.250 nan 0.000 0.479 550 T N 1.993 116.299 114.554 -0.412 0.000 2.699 550 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 550 T C 1.626 176.045 174.700 -0.468 0.000 1.036 550 T CA 1.126 62.970 62.100 -0.427 0.000 1.147 550 T CB -0.172 68.262 68.868 -0.724 0.000 0.862 550 T HN 0.195 nan 8.240 nan 0.000 0.446 551 L N -0.227 120.613 121.223 -0.638 0.000 2.456 551 L HA 0.036 4.376 4.340 -0.000 0.000 0.224 551 L C 1.708 178.386 176.870 -0.321 0.000 1.148 551 L CA 0.758 55.265 54.840 -0.555 0.000 0.825 551 L CB -0.524 41.241 42.059 -0.491 0.000 0.937 551 L HN 0.240 nan 8.230 nan 0.000 0.450 552 F N -0.836 119.049 119.950 -0.109 0.000 2.714 552 F HA 0.227 4.753 4.527 -0.000 0.000 0.294 552 F C 2.208 177.917 175.800 -0.153 0.000 1.120 552 F CA 0.228 58.178 58.000 -0.082 0.000 1.398 552 F CB -0.918 38.034 39.000 -0.080 0.000 1.120 552 F HN -0.091 nan 8.300 nan 0.000 0.589 553 G N 0.817 109.545 108.800 -0.119 0.000 2.709 553 G HA2 0.154 4.114 3.960 -0.000 0.000 0.208 553 G HA3 0.154 4.114 3.960 -0.000 0.000 0.208 553 G C 0.855 175.620 174.900 -0.225 0.000 1.129 553 G CA -0.039 44.816 45.100 -0.409 0.000 0.793 553 G HN 0.281 nan 8.290 nan 0.000 0.524 554 I N -0.264 120.177 120.570 -0.214 0.000 2.938 554 I HA 0.516 4.686 4.170 -0.000 0.000 0.285 554 I C -0.385 175.728 176.117 -0.006 0.000 1.182 554 I CA -0.546 60.578 61.300 -0.294 0.000 1.388 554 I CB 0.895 38.446 38.000 -0.749 0.000 1.390 554 I HN 0.260 nan 8.210 nan 0.000 0.600 555 E N 3.558 123.815 120.200 0.096 0.000 2.343 555 E HA 0.700 5.050 4.350 -0.000 0.000 0.278 555 E C -1.568 175.030 176.600 -0.004 0.000 0.910 555 E CA -1.269 55.209 56.400 0.128 0.000 0.757 555 E CB 1.808 31.512 29.700 0.007 0.000 1.218 555 E HN 0.816 nan 8.360 nan 0.000 0.435 556 A N 3.202 125.830 122.820 -0.319 0.000 2.320 556 A HA 0.306 4.626 4.320 -0.000 0.000 0.287 556 A C 0.161 177.545 177.584 -0.334 0.000 1.181 556 A CA -0.611 50.997 52.037 -0.714 0.000 0.831 556 A CB 0.310 18.615 19.000 -1.158 0.000 1.102 556 A HN 0.577 nan 8.150 nan 0.000 0.513 557 K N 0.000 120.252 120.400 -0.247 0.000 2.780 557 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 557 K CA 0.000 56.206 56.287 -0.135 0.000 0.838 557 K CB 0.000 32.449 32.500 -0.084 0.000 1.064 557 K HN 0.000 nan 8.250 nan 0.000 0.543