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 1mvm_1_A DATA FIRST_RESID 39 DATA SEQUENCE GVGVSTGSYD NQTHYRFLGD GWVEITALAT RLVHLNMPKS ENYCRIRVHN DATA SEQUENCE TTDTSVKGNM AKDDAHEQIW TPWSLVDANA WGVWLQPSDW QYICNTMSQL DATA SEQUENCE NLVSLDQEIF NVVLKTVTEQ DSGGQAIKIY NNDLTACMMV AVDSNNILPY DATA SEQUENCE TPAANSMETL GFYPWKPTIA SPYRYYFCVD RDLSVTYENQ EGTIEHNVMG DATA SEQUENCE TPKGMNSQFF TIENTQQITL LRTGDEFATG TYYFDTNPVK LTHTWQTNRQ DATA SEQUENCE LGQPPLLSTF PEADTDAGTL TAQGSRHGAT QMEVNWVSEA IRTRPAQVGF DATA SEQUENCE CQPHNDFEAS RAGPFAAPKV PADVTQGMDR EANGSVRYSY GKQHGENWAA DATA SEQUENCE HGPAPERYTW DETNFGSGRD TRDGFIQSAP LVVPPPLNGI LTNANPIGTK DATA SEQUENCE NDIHFSNVFN SYGPLTTFSH PSPVYPQGQI WDKELDLEHK PRLHITAPFV DATA SEQUENCE CKNNAPGQML VRLGPNLTDQ YDPNGATLSR IVTYGTFFWK GKLTMRAKLR DATA SEQUENCE ANTTWNPVYQ VSVEDNGNSY MSVTKWLPTA TGNMQSVPLI TRPVARNTY 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 39 G HA2 0.000 nan 3.960 nan 0.000 0.244 39 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 39 G C 0.000 174.920 174.900 0.033 0.000 0.946 39 G CA 0.000 45.115 45.100 0.026 0.000 0.502 40 V N 1.374 121.308 119.914 0.034 0.000 2.607 40 V HA 0.701 4.821 4.120 -0.001 0.000 0.289 40 V C 0.966 177.083 176.094 0.038 0.000 1.053 40 V CA 1.559 63.884 62.300 0.041 0.000 0.996 40 V CB 0.910 32.758 31.823 0.041 0.000 0.995 40 V HN 2.249 nan 8.190 nan 0.000 0.476 41 G N 4.188 113.015 108.800 0.044 0.000 4.220 41 G HA2 -0.023 3.936 3.960 -0.001 0.000 0.197 41 G HA3 -0.023 3.936 3.960 -0.001 0.000 0.197 41 G C 0.098 175.022 174.900 0.039 0.000 1.518 41 G CA 0.289 45.412 45.100 0.038 0.000 0.955 41 G HN 1.894 nan 8.290 nan 0.000 0.353 42 V N 0.852 120.788 119.914 0.037 0.000 2.743 42 V HA 0.846 4.965 4.120 -0.001 0.000 0.301 42 V C 0.656 176.777 176.094 0.045 0.000 1.057 42 V CA 0.174 62.493 62.300 0.032 0.000 1.006 42 V CB 1.317 33.153 31.823 0.021 0.000 1.024 42 V HN 0.454 nan 8.190 nan 0.000 0.473 43 S N 2.077 117.798 115.700 0.035 0.000 2.640 43 S HA 0.435 4.905 4.470 -0.001 0.000 0.262 43 S C 1.152 175.778 174.600 0.044 0.000 1.232 43 S CA 0.182 58.411 58.200 0.049 0.000 0.988 43 S CB 1.170 64.379 63.200 0.015 0.000 1.034 43 S HN 1.074 nan 8.310 nan 0.000 0.569 44 T N -1.691 112.904 114.554 0.068 0.000 2.966 44 T HA 0.415 4.764 4.350 -0.001 0.000 0.254 44 T C 0.521 175.150 174.700 -0.118 0.000 0.961 44 T CA 0.071 62.204 62.100 0.055 0.000 0.915 44 T CB 0.345 69.326 68.868 0.188 0.000 1.186 44 T HN 0.695 nan 8.240 nan 0.000 0.505 45 G N 1.083 109.664 108.800 -0.364 0.000 2.866 45 G HA2 0.621 4.580 3.960 -0.001 0.000 0.289 45 G HA3 0.621 4.580 3.960 -0.001 0.000 0.289 45 G C -0.445 173.865 174.900 -0.983 0.000 1.396 45 G CA -0.130 44.186 45.100 -1.306 0.000 0.848 45 G HN 0.309 nan 8.290 nan 0.000 0.515 46 S N -1.566 113.532 115.700 -1.004 0.000 2.869 46 S HA 0.735 5.205 4.470 -0.001 0.000 0.237 46 S C -1.037 173.526 174.600 -0.062 0.000 1.077 46 S CA -0.599 57.378 58.200 -0.371 0.000 1.140 46 S CB 1.016 64.081 63.200 -0.225 0.000 1.187 46 S HN 1.138 nan 8.310 nan 0.000 0.571 47 Y N 0.526 120.795 120.300 -0.053 0.000 2.252 47 Y HA 0.393 4.942 4.550 -0.001 0.000 0.321 47 Y C -2.343 173.608 175.900 0.084 0.000 1.208 47 Y CA -0.487 57.673 58.100 0.100 0.000 1.258 47 Y CB 0.930 39.454 38.460 0.106 0.000 1.235 47 Y HN 0.713 nan 8.280 nan 0.000 0.408 48 D N 3.896 124.231 120.400 -0.109 0.000 2.469 48 D HA 0.308 4.947 4.640 -0.001 0.000 0.251 48 D C -0.308 175.928 176.300 -0.107 0.000 1.173 48 D CA -0.283 53.696 54.000 -0.034 0.000 0.882 48 D CB 0.782 41.583 40.800 0.001 0.000 1.129 48 D HN 0.467 nan 8.370 nan 0.000 0.549 49 N N 2.649 121.335 118.700 -0.023 0.000 2.480 49 N HA 0.070 4.810 4.740 -0.001 0.000 0.281 49 N C -0.612 174.929 175.510 0.051 0.000 1.381 49 N CA -0.078 52.984 53.050 0.020 0.000 0.903 49 N CB 0.646 39.195 38.487 0.103 0.000 1.274 49 N HN 0.493 nan 8.380 nan 0.000 0.505 50 Q N -0.357 119.438 119.800 -0.008 0.000 2.212 50 Q HA 0.347 4.686 4.340 -0.001 0.000 0.238 50 Q C -0.682 175.216 176.000 -0.171 0.000 0.955 50 Q CA -0.032 55.696 55.803 -0.124 0.000 0.906 50 Q CB 1.390 29.960 28.738 -0.280 0.000 1.215 50 Q HN 0.031 nan 8.270 nan 0.000 0.478 51 T N 1.804 116.197 114.554 -0.269 0.000 2.930 51 T HA 0.310 4.659 4.350 -0.001 0.000 0.313 51 T C -1.397 173.066 174.700 -0.395 0.000 1.019 51 T CA -0.589 61.351 62.100 -0.266 0.000 1.004 51 T CB 0.248 69.028 68.868 -0.147 0.000 0.987 51 T HN 0.439 nan 8.240 nan 0.000 0.456 52 H N 1.547 120.484 119.070 -0.222 0.000 2.473 52 H HA 0.505 5.061 4.556 -0.001 0.000 0.327 52 H C -0.937 174.161 175.328 -0.383 0.000 1.105 52 H CA -0.399 55.534 56.048 -0.191 0.000 1.280 52 H CB 0.980 30.676 29.762 -0.110 0.000 1.450 52 H HN 0.483 nan 8.280 nan 0.000 0.492 53 Y N 1.480 121.769 120.300 -0.019 0.000 2.468 53 Y HA 0.457 5.007 4.550 -0.001 0.000 0.342 53 Y C 0.094 175.818 175.900 -0.295 0.000 1.021 53 Y CA -0.761 57.183 58.100 -0.261 0.000 1.079 53 Y CB 1.588 39.814 38.460 -0.389 0.000 1.226 53 Y HN 0.411 nan 8.280 nan 0.000 0.460 54 R N 2.788 123.143 120.500 -0.242 0.000 2.515 54 R HA 0.377 4.716 4.340 -0.001 0.000 0.291 54 R C -2.089 174.039 176.300 -0.286 0.000 1.046 54 R CA -0.711 55.274 56.100 -0.193 0.000 0.914 54 R CB 0.875 31.128 30.300 -0.079 0.000 1.191 54 R HN 0.525 nan 8.270 nan 0.000 0.435 55 F N 4.993 124.994 119.950 0.085 0.000 2.334 55 F HA 0.294 4.820 4.527 -0.001 0.000 0.365 55 F C 0.478 176.315 175.800 0.063 0.000 1.124 55 F CA -0.378 57.660 58.000 0.063 0.000 1.166 55 F CB 0.478 39.505 39.000 0.045 0.000 1.355 55 F HN 0.274 nan 8.300 nan 0.000 0.532 56 L N 1.539 122.903 121.223 0.235 0.000 2.540 56 L HA 0.523 4.863 4.340 -0.001 0.000 0.215 56 L C 1.156 178.143 176.870 0.195 0.000 1.204 56 L CA -0.274 54.676 54.840 0.183 0.000 0.841 56 L CB 0.275 42.442 42.059 0.181 0.000 1.420 56 L HN 0.591 nan 8.230 nan 0.000 0.519 57 G N -0.962 107.939 108.800 0.169 0.000 2.339 57 G HA2 0.445 4.405 3.960 -0.001 0.000 0.287 57 G HA3 0.445 4.405 3.960 -0.001 0.000 0.287 57 G C -0.932 174.112 174.900 0.241 0.000 1.163 57 G CA -0.059 45.132 45.100 0.153 0.000 0.872 57 G HN 0.690 nan 8.290 nan 0.000 0.464 58 D N 0.907 121.420 120.400 0.187 0.000 2.838 58 D HA -0.114 4.525 4.640 -0.001 0.000 0.237 58 D C 1.395 177.719 176.300 0.039 0.000 1.059 58 D CA 1.572 55.691 54.000 0.199 0.000 0.763 58 D CB -1.351 39.698 40.800 0.415 0.000 1.070 58 D HN 1.517 nan 8.370 nan 0.000 0.437 59 G N -0.348 108.437 108.800 -0.026 0.000 2.402 59 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.300 59 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.300 59 G C 0.065 174.798 174.900 -0.278 0.000 0.987 59 G CA 0.501 45.515 45.100 -0.144 0.000 0.881 59 G HN 0.453 nan 8.290 nan 0.000 0.512 60 W N -0.397 120.943 121.300 0.067 0.000 2.309 60 W HA 0.568 5.227 4.660 -0.001 0.000 0.332 60 W C 0.352 176.902 176.519 0.051 0.000 0.962 60 W CA -1.098 56.272 57.345 0.042 0.000 1.497 60 W CB 0.958 30.428 29.460 0.016 0.000 1.308 60 W HN 0.062 nan 8.180 nan 0.000 0.384 61 V N 2.511 122.540 119.914 0.192 0.000 2.834 61 V HA 0.207 4.326 4.120 -0.001 0.000 0.301 61 V C 0.037 176.167 176.094 0.060 0.000 1.066 61 V CA -0.532 61.820 62.300 0.085 0.000 1.052 61 V CB 1.705 33.544 31.823 0.026 0.000 1.021 61 V HN 0.404 nan 8.190 nan 0.000 0.480 62 E N 3.054 123.239 120.200 -0.025 0.000 2.255 62 E HA 0.502 4.852 4.350 -0.001 0.000 0.256 62 E C -1.441 175.093 176.600 -0.111 0.000 0.887 62 E CA -0.517 55.858 56.400 -0.042 0.000 0.782 62 E CB 1.319 30.997 29.700 -0.035 0.000 1.214 62 E HN 0.602 nan 8.360 nan 0.000 0.417 63 I N 4.008 124.499 120.570 -0.131 0.000 2.307 63 I HA 0.225 4.394 4.170 -0.001 0.000 0.289 63 I C -0.461 175.534 176.117 -0.203 0.000 1.021 63 I CA -0.183 60.964 61.300 -0.256 0.000 1.224 63 I CB 1.822 39.683 38.000 -0.231 0.000 1.376 63 I HN 0.426 nan 8.210 nan 0.000 0.470 64 T N 6.283 120.718 114.554 -0.198 0.000 2.821 64 T HA 0.607 4.956 4.350 -0.001 0.000 0.307 64 T C 0.015 174.660 174.700 -0.092 0.000 1.034 64 T CA -0.520 61.512 62.100 -0.114 0.000 0.953 64 T CB 0.945 69.782 68.868 -0.051 0.000 0.968 64 T HN 0.590 nan 8.240 nan 0.000 0.462 65 A N 4.356 127.130 122.820 -0.077 0.000 2.306 65 A HA 0.900 5.219 4.320 -0.001 0.000 0.314 65 A C -0.491 177.171 177.584 0.130 0.000 1.164 65 A CA -0.635 51.419 52.037 0.028 0.000 0.822 65 A CB 0.548 19.620 19.000 0.120 0.000 1.130 65 A HN 0.821 nan 8.150 nan 0.000 0.496 66 L N 0.426 121.747 121.223 0.163 0.000 2.327 66 L HA 0.929 5.269 4.340 -0.001 0.000 0.258 66 L C -0.085 176.875 176.870 0.149 0.000 1.024 66 L CA -0.836 54.102 54.840 0.164 0.000 0.825 66 L CB 2.365 44.457 42.059 0.055 0.000 1.386 66 L HN 0.926 nan 8.230 nan 0.000 0.417 67 A N 0.166 123.013 122.820 0.044 0.000 2.547 67 A HA 0.572 4.892 4.320 -0.001 0.000 0.300 67 A C -0.720 176.768 177.584 -0.159 0.000 1.061 67 A CA -0.393 51.621 52.037 -0.038 0.000 0.808 67 A CB 1.368 20.368 19.000 0.001 0.000 1.304 67 A HN 0.650 nan 8.150 nan 0.000 0.393 68 T N 0.096 114.483 114.554 -0.277 0.000 3.155 68 T HA 0.622 4.972 4.350 -0.001 0.000 0.384 68 T C -0.267 174.449 174.700 0.026 0.000 1.351 68 T CA -0.474 61.472 62.100 -0.257 0.000 1.198 68 T CB 0.281 68.755 68.868 -0.657 0.000 1.106 68 T HN 0.654 nan 8.240 nan 0.000 0.564 69 R N 1.946 122.650 120.500 0.339 0.000 2.357 69 R HA 0.601 4.940 4.340 -0.001 0.000 0.296 69 R C -0.307 176.101 176.300 0.180 0.000 1.052 69 R CA -0.807 55.456 56.100 0.271 0.000 0.988 69 R CB 0.802 31.205 30.300 0.172 0.000 1.025 69 R HN 0.739 nan 8.270 nan 0.000 0.469 70 L N 4.168 125.389 121.223 -0.003 0.000 2.276 70 L HA 0.497 4.836 4.340 -0.001 0.000 0.286 70 L C -1.173 175.462 176.870 -0.392 0.000 1.061 70 L CA -0.304 54.279 54.840 -0.428 0.000 0.807 70 L CB 1.321 42.952 42.059 -0.713 0.000 1.177 70 L HN 0.334 nan 8.230 nan 0.000 0.429 71 V N 4.711 124.275 119.914 -0.583 0.000 2.715 71 V HA 0.419 4.538 4.120 -0.001 0.000 0.310 71 V C -0.680 175.111 176.094 -0.505 0.000 1.054 71 V CA -0.638 61.316 62.300 -0.578 0.000 0.928 71 V CB 1.675 32.999 31.823 -0.832 0.000 1.007 71 V HN 0.793 nan 8.190 nan 0.000 0.437 72 H N 4.575 123.436 119.070 -0.347 0.000 2.481 72 H HA 0.662 5.217 4.556 -0.001 0.000 0.333 72 H C -1.610 173.662 175.328 -0.094 0.000 1.066 72 H CA -0.626 55.311 56.048 -0.185 0.000 1.209 72 H CB 1.911 31.579 29.762 -0.157 0.000 1.445 72 H HN 0.503 nan 8.280 nan 0.000 0.488 73 L N 5.022 126.042 121.223 -0.340 0.000 2.439 73 L HA 0.382 4.721 4.340 -0.001 0.000 0.270 73 L C -1.295 175.458 176.870 -0.195 0.000 0.972 73 L CA -0.384 54.375 54.840 -0.135 0.000 0.836 73 L CB 1.601 43.718 42.059 0.097 0.000 1.255 73 L HN 0.597 nan 8.230 nan 0.000 0.404 74 N N 3.445 122.078 118.700 -0.113 0.000 2.476 74 N HA 0.538 5.277 4.740 -0.001 0.000 0.287 74 N C -0.670 174.855 175.510 0.026 0.000 1.262 74 N CA -0.770 52.266 53.050 -0.024 0.000 0.980 74 N CB 0.671 39.176 38.487 0.030 0.000 1.163 74 N HN 0.641 nan 8.380 nan 0.000 0.592 75 M N 1.701 121.331 119.600 0.050 0.000 2.146 75 M HA 0.293 4.773 4.480 -0.001 0.000 0.357 75 M C -2.196 174.125 176.300 0.035 0.000 1.261 75 M CA -1.619 53.699 55.300 0.031 0.000 1.106 75 M CB 0.902 33.525 32.600 0.040 0.000 1.612 75 M HN 0.334 nan 8.290 nan 0.000 0.470 76 P HA 0.067 nan 4.420 nan 0.000 0.268 76 P C -0.541 176.788 177.300 0.048 0.000 1.205 76 P CA 0.049 63.187 63.100 0.063 0.000 0.771 76 P CB 0.358 32.072 31.700 0.023 0.000 0.858 77 K N 0.898 121.334 120.400 0.059 0.000 2.063 77 K HA -0.051 4.269 4.320 -0.001 0.000 0.208 77 K C 0.824 177.426 176.600 0.004 0.000 1.048 77 K CA 1.080 57.372 56.287 0.008 0.000 0.928 77 K CB -0.496 31.977 32.500 -0.045 0.000 0.713 77 K HN 0.535 nan 8.250 nan 0.000 0.442 78 S N 0.500 116.212 115.700 0.021 0.000 2.532 78 S HA 0.298 4.767 4.470 -0.001 0.000 0.301 78 S C -0.418 174.197 174.600 0.024 0.000 1.083 78 S CA -1.065 57.148 58.200 0.021 0.000 1.025 78 S CB 1.912 65.121 63.200 0.014 0.000 1.056 78 S HN 0.246 nan 8.310 nan 0.000 0.494 79 E N 1.282 121.492 120.200 0.017 0.000 2.736 79 E HA 0.280 4.629 4.350 -0.001 0.000 0.208 79 E C -0.793 175.841 176.600 0.057 0.000 0.996 79 E CA -0.245 56.153 56.400 -0.003 0.000 1.104 79 E CB 0.114 29.812 29.700 -0.004 0.000 1.111 79 E HN 0.574 nan 8.360 nan 0.000 0.455 80 N N -0.198 118.541 118.700 0.065 0.000 2.453 80 N HA 0.367 5.106 4.740 -0.001 0.000 0.290 80 N C -1.530 174.052 175.510 0.120 0.000 1.250 80 N CA -0.541 52.600 53.050 0.152 0.000 0.815 80 N CB 1.270 39.829 38.487 0.119 0.000 1.381 80 N HN -0.027 nan 8.380 nan 0.000 0.510 81 Y N 0.173 120.582 120.300 0.181 0.000 2.331 81 Y HA 0.481 5.030 4.550 -0.001 0.000 0.338 81 Y C -0.482 175.463 175.900 0.074 0.000 0.992 81 Y CA -0.545 57.677 58.100 0.204 0.000 1.121 81 Y CB 1.059 39.720 38.460 0.335 0.000 1.184 81 Y HN 0.362 nan 8.280 nan 0.000 0.469 82 C N 3.940 123.334 119.300 0.156 0.000 2.455 82 C HA 0.504 4.963 4.460 -0.001 0.000 0.320 82 C C 0.000 174.941 174.990 -0.082 0.000 1.226 82 C CA -1.250 57.779 59.018 0.019 0.000 1.569 82 C CB 1.523 29.268 27.740 0.009 0.000 2.200 82 C HN 0.778 nan 8.230 nan 0.000 0.491 83 R N 3.258 123.642 120.500 -0.194 0.000 2.369 83 R HA 0.536 4.876 4.340 -0.001 0.000 0.310 83 R C -1.030 175.149 176.300 -0.201 0.000 1.141 83 R CA -0.059 55.858 56.100 -0.304 0.000 1.116 83 R CB -0.084 29.924 30.300 -0.487 0.000 1.135 83 R HN 0.787 nan 8.270 nan 0.000 0.529 84 I N 4.021 124.508 120.570 -0.138 0.000 2.498 84 I HA 0.412 4.582 4.170 -0.001 0.000 0.301 84 I C 0.403 176.455 176.117 -0.109 0.000 0.984 84 I CA -0.876 60.358 61.300 -0.110 0.000 1.204 84 I CB 1.652 39.597 38.000 -0.092 0.000 1.362 84 I HN 0.427 nan 8.210 nan 0.000 0.471 85 R N 4.823 125.254 120.500 -0.114 0.000 2.807 85 R HA 0.826 5.166 4.340 -0.001 0.000 0.276 85 R C -2.175 174.033 176.300 -0.154 0.000 0.979 85 R CA -0.492 55.532 56.100 -0.127 0.000 0.928 85 R CB 2.304 32.570 30.300 -0.058 0.000 1.191 85 R HN 0.436 nan 8.270 nan 0.000 0.471 86 V N 3.197 122.978 119.914 -0.220 0.000 2.686 86 V HA 0.375 4.494 4.120 -0.001 0.000 0.306 86 V C -0.908 175.165 176.094 -0.036 0.000 1.065 86 V CA -0.643 61.561 62.300 -0.159 0.000 0.894 86 V CB 1.723 33.376 31.823 -0.284 0.000 1.004 86 V HN 0.806 nan 8.190 nan 0.000 0.424 87 H N 5.327 124.359 119.070 -0.063 0.000 2.538 87 H HA 0.226 4.782 4.556 -0.001 0.000 0.239 87 H C -0.186 175.136 175.328 -0.010 0.000 1.401 87 H CA -0.590 55.444 56.048 -0.024 0.000 1.499 87 H CB 0.858 30.607 29.762 -0.021 0.000 1.624 87 H HN 0.796 nan 8.280 nan 0.000 0.524 88 N N 2.066 120.753 118.700 -0.022 0.000 2.410 88 N HA -0.062 4.678 4.740 -0.001 0.000 0.281 88 N C -0.127 175.396 175.510 0.022 0.000 1.241 88 N CA -0.137 52.919 53.050 0.011 0.000 0.998 88 N CB 0.055 38.540 38.487 -0.004 0.000 1.376 88 N HN 0.350 nan 8.380 nan 0.000 0.490 89 T N -0.515 114.103 114.554 0.107 0.000 3.389 89 T HA 0.259 4.609 4.350 -0.001 0.000 0.238 89 T C 0.299 175.030 174.700 0.052 0.000 1.178 89 T CA -0.624 61.542 62.100 0.111 0.000 1.117 89 T CB -0.276 68.691 68.868 0.164 0.000 1.177 89 T HN 0.452 nan 8.240 nan 0.000 0.653 90 T N 0.140 114.711 114.554 0.029 0.000 3.328 90 T HA 0.163 4.512 4.350 -0.001 0.000 0.297 90 T C -0.028 174.677 174.700 0.008 0.000 0.882 90 T CA -0.306 61.804 62.100 0.016 0.000 0.906 90 T CB 0.372 69.249 68.868 0.015 0.000 1.210 90 T HN 0.349 nan 8.240 nan 0.000 0.631 91 D N -0.282 120.121 120.400 0.005 0.000 2.497 91 D HA 0.188 4.827 4.640 -0.001 0.000 0.256 91 D C 1.298 177.593 176.300 -0.009 0.000 1.273 91 D CA 0.181 54.181 54.000 -0.001 0.000 0.812 91 D CB 0.517 41.318 40.800 0.002 0.000 1.190 91 D HN 0.132 nan 8.370 nan 0.000 0.524 92 T N -0.985 113.563 114.554 -0.009 0.000 2.990 92 T HA 0.102 4.452 4.350 -0.001 0.000 0.249 92 T C 0.997 175.697 174.700 -0.000 0.000 1.039 92 T CA 0.245 62.333 62.100 -0.019 0.000 1.036 92 T CB 0.489 69.328 68.868 -0.048 0.000 0.994 92 T HN -0.133 nan 8.240 nan 0.000 0.489 93 S N 1.742 117.448 115.700 0.010 0.000 2.835 93 S HA 0.433 4.902 4.470 -0.001 0.000 0.194 93 S C 0.618 175.216 174.600 -0.004 0.000 1.364 93 S CA -0.484 57.722 58.200 0.010 0.000 1.167 93 S CB -0.448 62.766 63.200 0.022 0.000 1.223 93 S HN 0.197 nan 8.310 nan 0.000 0.512 94 V N 1.176 121.081 119.914 -0.015 0.000 3.938 94 V HA 0.574 4.693 4.120 -0.001 0.000 0.193 94 V C 1.082 177.152 176.094 -0.039 0.000 1.148 94 V CA -0.360 61.926 62.300 -0.023 0.000 1.354 94 V CB -0.087 31.724 31.823 -0.020 0.000 1.627 94 V HN 0.411 nan 8.190 nan 0.000 0.512 95 K N -0.911 119.460 120.400 -0.048 0.000 0.979 95 K HA -0.037 4.282 4.320 -0.001 0.000 0.063 95 K C 1.195 177.753 176.600 -0.070 0.000 2.397 95 K CA 0.834 57.076 56.287 -0.075 0.000 0.955 95 K CB -0.837 31.605 32.500 -0.097 0.000 2.674 95 K HN 0.564 nan 8.250 nan 0.000 0.318 96 G N 0.651 109.422 108.800 -0.048 0.000 2.692 96 G HA2 0.014 3.974 3.960 -0.001 0.000 0.201 96 G HA3 0.014 3.974 3.960 -0.001 0.000 0.201 96 G C 0.376 175.244 174.900 -0.052 0.000 1.063 96 G CA -0.057 45.018 45.100 -0.041 0.000 0.790 96 G HN -0.030 nan 8.290 nan 0.000 0.599 97 N N 1.567 120.244 118.700 -0.038 0.000 2.671 97 N HA 0.268 5.008 4.740 -0.001 0.000 0.274 97 N C 1.020 176.513 175.510 -0.029 0.000 1.188 97 N CA 0.210 53.243 53.050 -0.028 0.000 1.065 97 N CB 0.787 39.265 38.487 -0.016 0.000 1.415 97 N HN 0.344 nan 8.380 nan 0.000 0.511 98 M N -0.538 119.037 119.600 -0.041 0.000 2.800 98 M HA 0.202 4.682 4.480 -0.001 0.000 0.257 98 M C 1.401 177.722 176.300 0.035 0.000 1.309 98 M CA 0.227 55.511 55.300 -0.027 0.000 1.202 98 M CB 0.169 32.726 32.600 -0.072 0.000 1.273 98 M HN 0.258 nan 8.290 nan 0.000 0.528 99 A N 0.991 123.835 122.820 0.040 0.000 2.324 99 A HA 0.087 4.407 4.320 -0.001 0.000 0.240 99 A C 1.170 178.826 177.584 0.121 0.000 1.347 99 A CA 0.641 52.794 52.037 0.193 0.000 1.036 99 A CB -0.632 18.505 19.000 0.228 0.000 0.917 99 A HN 0.419 nan 8.150 nan 0.000 0.519 100 K N -0.308 120.134 120.400 0.070 0.000 2.553 100 K HA 0.051 4.370 4.320 -0.001 0.000 0.205 100 K C -0.780 175.839 176.600 0.032 0.000 1.168 100 K CA -0.284 56.030 56.287 0.045 0.000 1.043 100 K CB 0.556 33.070 32.500 0.023 0.000 0.967 100 K HN 0.334 nan 8.250 nan 0.000 0.585 101 D N 1.776 122.198 120.400 0.037 0.000 2.382 101 D HA -0.004 4.635 4.640 -0.001 0.000 0.259 101 D C -0.293 176.031 176.300 0.040 0.000 1.224 101 D CA 0.647 54.654 54.000 0.012 0.000 0.894 101 D CB 0.718 41.529 40.800 0.017 0.000 1.127 101 D HN -0.048 nan 8.370 nan 0.000 0.487 102 D N 2.203 122.621 120.400 0.031 0.000 2.650 102 D HA 0.233 4.872 4.640 -0.001 0.000 0.265 102 D C -0.587 175.803 176.300 0.151 0.000 1.339 102 D CA -0.318 53.745 54.000 0.106 0.000 0.816 102 D CB 0.479 41.336 40.800 0.096 0.000 1.091 102 D HN 0.376 nan 8.370 nan 0.000 0.483 103 A N 1.882 124.731 122.820 0.048 0.000 2.279 103 A HA 0.495 4.814 4.320 -0.001 0.000 0.306 103 A C -0.234 177.425 177.584 0.124 0.000 1.300 103 A CA -0.350 51.682 52.037 -0.010 0.000 0.925 103 A CB -0.018 18.854 19.000 -0.213 0.000 1.152 103 A HN 0.317 nan 8.150 nan 0.000 0.544 104 H N 0.943 120.064 119.070 0.085 0.000 2.930 104 H HA 0.460 5.015 4.556 -0.001 0.000 0.371 104 H C -1.542 173.876 175.328 0.150 0.000 1.169 104 H CA -0.852 55.281 56.048 0.140 0.000 1.157 104 H CB 1.313 31.209 29.762 0.223 0.000 1.789 104 H HN 0.482 nan 8.280 nan 0.000 0.547 105 E N 2.353 122.682 120.200 0.214 0.000 2.014 105 E HA 0.062 4.412 4.350 -0.001 0.000 0.275 105 E C -0.487 176.270 176.600 0.262 0.000 0.997 105 E CA -0.281 56.214 56.400 0.159 0.000 0.804 105 E CB 1.667 31.501 29.700 0.223 0.000 1.090 105 E HN 0.589 nan 8.360 nan 0.000 0.401 106 Q N 3.747 123.643 119.800 0.160 0.000 2.204 106 Q HA 0.517 4.856 4.340 -0.001 0.000 0.254 106 Q C -0.804 175.164 176.000 -0.053 0.000 0.981 106 Q CA -0.609 55.273 55.803 0.133 0.000 0.897 106 Q CB 1.233 30.098 28.738 0.211 0.000 1.273 106 Q HN 0.483 nan 8.270 nan 0.000 0.464 107 I N 2.091 122.554 120.570 -0.178 0.000 2.478 107 I HA 0.265 4.435 4.170 -0.001 0.000 0.287 107 I C -1.071 174.944 176.117 -0.170 0.000 1.042 107 I CA -0.726 60.403 61.300 -0.285 0.000 1.067 107 I CB 1.442 39.063 38.000 -0.631 0.000 1.233 107 I HN 0.681 nan 8.210 nan 0.000 0.431 108 W N 7.111 128.303 121.300 -0.180 0.000 2.417 108 W HA 0.436 5.095 4.660 -0.001 0.000 0.317 108 W C -0.631 175.851 176.519 -0.061 0.000 1.121 108 W CA -0.282 56.999 57.345 -0.106 0.000 1.208 108 W CB 1.927 31.329 29.460 -0.097 0.000 1.253 108 W HN 0.513 nan 8.180 nan 0.000 0.533 109 T N 3.049 117.338 114.554 -0.441 0.000 2.807 109 T HA 0.322 4.671 4.350 -0.001 0.000 0.279 109 T C -1.882 172.563 174.700 -0.425 0.000 0.993 109 T CA -1.986 59.935 62.100 -0.298 0.000 0.970 109 T CB 2.151 71.171 68.868 0.253 0.000 0.950 109 T HN 0.241 nan 8.240 nan 0.000 0.441 110 P HA 0.009 nan 4.420 nan 0.000 0.231 110 P C -0.413 176.711 177.300 -0.293 0.000 1.158 110 P CA 0.376 63.313 63.100 -0.271 0.000 0.763 110 P CB -0.111 31.377 31.700 -0.353 0.000 0.805 111 W N 0.452 121.660 121.300 -0.153 0.000 2.287 111 W HA 0.266 4.925 4.660 -0.001 0.000 0.313 111 W C 0.417 176.880 176.519 -0.093 0.000 1.267 111 W CA -0.125 57.170 57.345 -0.083 0.000 1.201 111 W CB 0.494 29.924 29.460 -0.049 0.000 1.196 111 W HN -0.272 nan 8.180 nan 0.000 0.536 112 S N 4.344 120.155 115.700 0.185 0.000 2.429 112 S HA 0.417 4.886 4.470 -0.001 0.000 0.302 112 S C -0.383 174.302 174.600 0.141 0.000 1.115 112 S CA -0.778 57.489 58.200 0.110 0.000 1.095 112 S CB 0.516 63.771 63.200 0.090 0.000 0.987 112 S HN 0.436 nan 8.310 nan 0.000 0.474 113 L N 4.225 125.512 121.223 0.106 0.000 2.454 113 L HA 0.679 5.019 4.340 -0.001 0.000 0.256 113 L C -1.135 175.765 176.870 0.050 0.000 1.136 113 L CA -0.416 54.471 54.840 0.078 0.000 0.804 113 L CB 0.894 43.022 42.059 0.115 0.000 1.181 113 L HN 0.375 nan 8.230 nan 0.000 0.469 114 V N 2.224 122.153 119.914 0.025 0.000 2.488 114 V HA 0.356 4.475 4.120 -0.001 0.000 0.293 114 V C -1.310 174.755 176.094 -0.049 0.000 1.027 114 V CA -0.574 61.707 62.300 -0.032 0.000 0.862 114 V CB 1.552 33.371 31.823 -0.006 0.000 1.008 114 V HN 0.687 nan 8.190 nan 0.000 0.428 115 D N 3.361 123.704 120.400 -0.095 0.000 2.350 115 D HA 0.820 5.460 4.640 -0.001 0.000 0.245 115 D C 0.169 176.382 176.300 -0.145 0.000 1.036 115 D CA -0.093 53.867 54.000 -0.067 0.000 0.848 115 D CB 2.398 43.157 40.800 -0.068 0.000 1.307 115 D HN 0.629 nan 8.370 nan 0.000 0.469 116 A N 3.049 125.846 122.820 -0.039 0.000 2.592 116 A HA 0.118 4.437 4.320 -0.001 0.000 0.290 116 A C 0.405 178.059 177.584 0.117 0.000 0.998 116 A CA -0.434 51.564 52.037 -0.065 0.000 0.983 116 A CB -0.211 18.800 19.000 0.019 0.000 1.240 116 A HN 0.353 nan 8.150 nan 0.000 0.535 117 N N 1.961 120.565 118.700 -0.160 0.000 3.254 117 N HA 0.489 5.229 4.740 -0.001 0.000 0.308 117 N C -0.267 174.986 175.510 -0.428 0.000 1.281 117 N CA 0.856 53.485 53.050 -0.701 0.000 1.212 117 N CB -0.224 37.624 38.487 -1.065 0.000 1.478 117 N HN 0.552 nan 8.380 nan 0.000 0.548 118 A N 0.214 122.900 122.820 -0.223 0.000 2.569 118 A HA 0.527 4.846 4.320 -0.001 0.000 0.290 118 A C -0.073 177.428 177.584 -0.138 0.000 1.136 118 A CA -0.814 51.102 52.037 -0.201 0.000 0.710 118 A CB 0.326 19.255 19.000 -0.119 0.000 1.303 118 A HN 0.422 nan 8.150 nan 0.000 0.413 119 W N 0.061 121.320 121.300 -0.069 0.000 2.526 119 W HA 0.210 4.869 4.660 -0.001 0.000 0.294 119 W C 2.204 178.575 176.519 -0.246 0.000 1.181 119 W CA 1.137 58.476 57.345 -0.010 0.000 1.373 119 W CB -0.064 29.336 29.460 -0.101 0.000 1.112 119 W HN 0.845 nan 8.180 nan 0.000 0.545 120 G N 0.312 108.788 108.800 -0.540 0.000 2.462 120 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.220 120 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.220 120 G C 1.302 175.471 174.900 -1.217 0.000 1.121 120 G CA 1.420 45.755 45.100 -1.275 0.000 0.758 120 G HN 0.151 nan 8.290 nan 0.000 0.559 121 V N -1.235 118.024 119.914 -1.092 0.000 2.871 121 V HA 0.005 4.124 4.120 -0.001 0.000 0.256 121 V C 1.970 177.702 176.094 -0.604 0.000 1.082 121 V CA 0.971 62.773 62.300 -0.830 0.000 1.105 121 V CB -0.432 30.847 31.823 -0.907 0.000 0.713 121 V HN 0.632 nan 8.190 nan 0.000 0.473 122 W N -0.809 120.438 121.300 -0.088 0.000 3.107 122 W HA 0.501 5.161 4.660 -0.001 0.000 0.293 122 W C 0.419 176.989 176.519 0.084 0.000 1.239 122 W CA -0.250 57.116 57.345 0.035 0.000 1.653 122 W CB 0.545 30.041 29.460 0.059 0.000 1.068 122 W HN 0.075 nan 8.180 nan 0.000 0.615 123 L N -0.237 121.162 121.223 0.293 0.000 2.403 123 L HA 0.413 4.752 4.340 -0.001 0.000 0.253 123 L C -0.204 176.833 176.870 0.278 0.000 1.045 123 L CA -1.116 53.907 54.840 0.306 0.000 0.845 123 L CB 1.945 44.258 42.059 0.423 0.000 1.447 123 L HN -0.270 nan 8.230 nan 0.000 0.411 124 Q N 0.706 120.661 119.800 0.259 0.000 2.240 124 Q HA 0.360 4.700 4.340 -0.001 0.000 0.260 124 Q C -1.835 174.322 176.000 0.261 0.000 1.018 124 Q CA -1.798 54.164 55.803 0.265 0.000 0.898 124 Q CB 1.769 30.619 28.738 0.186 0.000 1.301 124 Q HN 0.286 nan 8.270 nan 0.000 0.469 125 P HA -0.190 nan 4.420 nan 0.000 0.215 125 P C 1.288 178.556 177.300 -0.054 0.000 1.153 125 P CA 1.394 64.545 63.100 0.086 0.000 0.853 125 P CB 0.170 31.786 31.700 -0.140 0.000 0.788 126 S N -0.643 115.051 115.700 -0.010 0.000 2.344 126 S HA -0.171 4.298 4.470 -0.001 0.000 0.217 126 S C 1.752 176.415 174.600 0.105 0.000 1.033 126 S CA 1.715 59.923 58.200 0.013 0.000 1.017 126 S CB -1.280 61.947 63.200 0.046 0.000 0.941 126 S HN -0.038 nan 8.310 nan 0.000 0.430 127 D N 0.892 121.394 120.400 0.171 0.000 2.230 127 D HA -0.193 4.447 4.640 -0.001 0.000 0.189 127 D C 1.528 177.943 176.300 0.192 0.000 1.006 127 D CA 1.467 55.617 54.000 0.251 0.000 0.853 127 D CB -0.768 40.167 40.800 0.226 0.000 0.959 127 D HN 0.633 nan 8.370 nan 0.000 0.449 128 W N 1.572 122.792 121.300 -0.134 0.000 2.304 128 W HA -0.313 4.346 4.660 -0.001 0.000 0.315 128 W C 2.307 178.731 176.519 -0.159 0.000 1.233 128 W CA 1.999 59.175 57.345 -0.281 0.000 1.261 128 W CB -0.494 28.489 29.460 -0.795 0.000 1.150 128 W HN 0.168 nan 8.180 nan 0.000 0.494 129 Q N -0.766 119.046 119.800 0.020 0.000 2.061 129 Q HA -0.322 4.017 4.340 -0.001 0.000 0.204 129 Q C 2.364 178.365 176.000 0.002 0.000 0.984 129 Q CA 2.094 57.881 55.803 -0.026 0.000 0.846 129 Q CB -1.042 27.679 28.738 -0.028 0.000 0.902 129 Q HN 0.307 nan 8.270 nan 0.000 0.421 130 Y N 0.772 121.012 120.300 -0.100 0.000 2.293 130 Y HA -0.145 4.404 4.550 -0.001 0.000 0.291 130 Y C 1.621 177.444 175.900 -0.129 0.000 1.137 130 Y CA 1.066 59.105 58.100 -0.103 0.000 1.202 130 Y CB -0.275 38.139 38.460 -0.077 0.000 0.990 130 Y HN 0.155 nan 8.280 nan 0.000 0.537 131 I N -1.383 119.173 120.570 -0.023 0.000 2.244 131 I HA -0.322 3.847 4.170 -0.001 0.000 0.231 131 I C 2.515 178.456 176.117 -0.295 0.000 1.065 131 I CA 1.264 62.440 61.300 -0.207 0.000 1.358 131 I CB -0.944 36.884 38.000 -0.287 0.000 1.130 131 I HN 0.029 nan 8.210 nan 0.000 0.411 132 C N 0.894 119.856 119.300 -0.563 0.000 2.403 132 C HA -0.148 4.311 4.460 -0.001 0.000 0.279 132 C C 2.545 177.375 174.990 -0.268 0.000 1.269 132 C CA 0.782 59.468 59.018 -0.554 0.000 1.774 132 C CB -1.563 25.661 27.740 -0.859 0.000 1.993 132 C HN 0.545 nan 8.230 nan 0.000 0.496 133 N N 0.095 118.680 118.700 -0.192 0.000 2.354 133 N HA -0.051 4.689 4.740 -0.001 0.000 0.179 133 N C 1.568 177.048 175.510 -0.049 0.000 1.021 133 N CA 1.498 54.488 53.050 -0.099 0.000 0.887 133 N CB 0.055 38.502 38.487 -0.067 0.000 0.974 133 N HN 0.583 nan 8.380 nan 0.000 0.437 134 T N 0.380 114.922 114.554 -0.020 0.000 3.156 134 T HA 0.246 4.596 4.350 -0.001 0.000 0.236 134 T C 1.017 175.698 174.700 -0.031 0.000 0.978 134 T CA -0.210 61.898 62.100 0.014 0.000 1.240 134 T CB 0.412 69.367 68.868 0.144 0.000 0.951 134 T HN -0.039 nan 8.240 nan 0.000 0.420 135 M N 3.077 122.642 119.600 -0.058 0.000 2.252 135 M HA 0.183 4.662 4.480 -0.001 0.000 0.333 135 M C 1.655 177.901 176.300 -0.089 0.000 1.111 135 M CA 0.036 55.285 55.300 -0.085 0.000 1.140 135 M CB 0.506 33.044 32.600 -0.102 0.000 1.538 135 M HN 0.369 nan 8.290 nan 0.000 0.448 136 S N 2.239 117.885 115.700 -0.090 0.000 2.309 136 S HA -0.066 4.403 4.470 -0.001 0.000 0.206 136 S C 0.772 175.341 174.600 -0.051 0.000 1.028 136 S CA 0.337 58.495 58.200 -0.070 0.000 0.972 136 S CB -0.206 62.942 63.200 -0.085 0.000 0.961 136 S HN 0.816 nan 8.310 nan 0.000 0.449 137 Q N 0.752 120.524 119.800 -0.048 0.000 2.527 137 Q HA 0.773 5.112 4.340 -0.001 0.000 0.220 137 Q C -1.138 174.876 176.000 0.023 0.000 1.014 137 Q CA -1.049 54.757 55.803 0.005 0.000 0.978 137 Q CB 1.115 29.871 28.738 0.029 0.000 1.245 137 Q HN 0.505 nan 8.270 nan 0.000 0.513 138 L N -0.339 120.947 121.223 0.105 0.000 2.724 138 L HA 0.490 4.830 4.340 -0.001 0.000 0.258 138 L C -1.992 175.008 176.870 0.216 0.000 0.967 138 L CA -0.169 54.754 54.840 0.138 0.000 0.891 138 L CB 2.264 44.412 42.059 0.149 0.000 1.456 138 L HN 1.025 nan 8.230 nan 0.000 0.416 139 N N 1.006 119.751 118.700 0.075 0.000 3.379 139 N HA 0.808 5.547 4.740 -0.001 0.000 0.350 139 N C -2.121 173.133 175.510 -0.427 0.000 1.553 139 N CA -0.693 52.289 53.050 -0.113 0.000 0.712 139 N CB 1.438 39.896 38.487 -0.048 0.000 1.880 139 N HN 0.570 nan 8.380 nan 0.000 0.648 140 L N 1.657 122.554 121.223 -0.543 0.000 2.516 140 L HA 0.439 4.778 4.340 -0.001 0.000 0.267 140 L C -0.495 176.144 176.870 -0.386 0.000 0.957 140 L CA -0.273 54.176 54.840 -0.651 0.000 0.860 140 L CB 1.418 42.789 42.059 -1.147 0.000 1.265 140 L HN 0.433 nan 8.230 nan 0.000 0.403 141 V N 1.291 121.065 119.914 -0.234 0.000 4.825 141 V HA 0.464 4.583 4.120 -0.001 0.000 0.171 141 V C 0.742 176.921 176.094 0.142 0.000 1.220 141 V CA 0.614 62.890 62.300 -0.039 0.000 1.426 141 V CB 0.847 32.639 31.823 -0.052 0.000 1.936 141 V HN 0.838 nan 8.190 nan 0.000 0.388 142 S N 1.057 116.791 115.700 0.057 0.000 2.681 142 S HA 0.661 5.130 4.470 -0.001 0.000 0.270 142 S C -0.809 173.749 174.600 -0.070 0.000 1.209 142 S CA -0.336 57.858 58.200 -0.011 0.000 0.988 142 S CB 1.558 64.749 63.200 -0.016 0.000 1.006 142 S HN 0.639 nan 8.310 nan 0.000 0.558 143 L N 0.852 121.990 121.223 -0.142 0.000 2.737 143 L HA 0.527 4.866 4.340 -0.001 0.000 0.261 143 L C -2.232 174.586 176.870 -0.088 0.000 0.949 143 L CA -0.180 54.593 54.840 -0.111 0.000 0.952 143 L CB 1.888 43.913 42.059 -0.055 0.000 1.337 143 L HN 0.828 nan 8.230 nan 0.000 0.430 144 D N 3.748 124.105 120.400 -0.073 0.000 2.462 144 D HA 0.362 5.002 4.640 -0.001 0.000 0.245 144 D C -0.894 175.378 176.300 -0.047 0.000 1.122 144 D CA 0.022 53.975 54.000 -0.080 0.000 0.864 144 D CB 1.335 42.066 40.800 -0.114 0.000 1.098 144 D HN 0.659 nan 8.370 nan 0.000 0.541 145 Q N 1.799 121.595 119.800 -0.006 0.000 2.260 145 Q HA 0.480 4.820 4.340 -0.001 0.000 0.242 145 Q C -0.352 175.578 176.000 -0.116 0.000 0.932 145 Q CA -0.472 55.333 55.803 0.003 0.000 0.891 145 Q CB 2.238 31.139 28.738 0.272 0.000 1.222 145 Q HN 0.481 nan 8.270 nan 0.000 0.453 146 E N 1.750 121.837 120.200 -0.189 0.000 2.372 146 E HA 0.501 4.850 4.350 -0.001 0.000 0.279 146 E C -1.715 174.919 176.600 0.057 0.000 0.946 146 E CA -0.435 55.923 56.400 -0.070 0.000 0.769 146 E CB 1.577 31.266 29.700 -0.019 0.000 1.230 146 E HN 0.521 nan 8.360 nan 0.000 0.442 147 I N 3.807 124.503 120.570 0.210 0.000 2.730 147 I HA 0.610 4.779 4.170 -0.001 0.000 0.298 147 I C -0.894 175.438 176.117 0.359 0.000 1.089 147 I CA -0.791 60.654 61.300 0.243 0.000 1.041 147 I CB 1.406 39.568 38.000 0.269 0.000 1.235 147 I HN 0.539 nan 8.210 nan 0.000 0.423 148 F N 1.484 121.600 119.950 0.277 0.000 2.926 148 F HA 0.458 4.985 4.527 -0.001 0.000 0.321 148 F C -0.263 175.721 175.800 0.307 0.000 1.168 148 F CA -1.319 56.809 58.000 0.212 0.000 0.890 148 F CB 0.553 39.620 39.000 0.110 0.000 1.357 148 F HN 0.432 nan 8.300 nan 0.000 0.468 149 N N 0.663 119.652 118.700 0.483 0.000 2.669 149 N HA -0.142 4.597 4.740 -0.001 0.000 0.266 149 N C -0.934 174.806 175.510 0.384 0.000 1.024 149 N CA 0.600 53.886 53.050 0.393 0.000 0.766 149 N CB -0.492 38.241 38.487 0.410 0.000 0.898 149 N HN 0.499 nan 8.380 nan 0.000 0.548 150 V N 1.402 121.491 119.914 0.291 0.000 2.508 150 V HA 0.212 4.332 4.120 -0.001 0.000 0.281 150 V C 0.864 177.082 176.094 0.206 0.000 1.041 150 V CA -0.216 62.239 62.300 0.259 0.000 1.016 150 V CB 1.756 33.679 31.823 0.167 0.000 0.984 150 V HN 0.051 nan 8.190 nan 0.000 0.478 151 V N 7.016 127.055 119.914 0.208 0.000 2.495 151 V HA 0.544 4.663 4.120 -0.001 0.000 0.298 151 V C -0.316 175.835 176.094 0.096 0.000 1.031 151 V CA -0.509 61.878 62.300 0.145 0.000 0.871 151 V CB 1.862 33.781 31.823 0.159 0.000 0.988 151 V HN 0.645 nan 8.190 nan 0.000 0.432 152 L N 5.714 126.957 121.223 0.034 0.000 2.406 152 L HA 0.643 4.982 4.340 -0.001 0.000 0.272 152 L C -0.435 176.368 176.870 -0.112 0.000 0.980 152 L CA -0.522 54.293 54.840 -0.042 0.000 0.831 152 L CB 1.974 44.020 42.059 -0.021 0.000 1.253 152 L HN 0.547 nan 8.230 nan 0.000 0.406 153 K N 1.668 121.897 120.400 -0.286 0.000 2.444 153 K HA 0.793 5.112 4.320 -0.001 0.000 0.252 153 K C -1.091 175.264 176.600 -0.408 0.000 0.993 153 K CA -0.890 55.207 56.287 -0.317 0.000 0.847 153 K CB 2.848 35.151 32.500 -0.329 0.000 1.340 153 K HN 0.393 nan 8.250 nan 0.000 0.446 154 T N 0.325 114.764 114.554 -0.192 0.000 2.907 154 T HA 0.453 4.802 4.350 -0.001 0.000 0.292 154 T C -0.861 173.834 174.700 -0.007 0.000 1.043 154 T CA -0.884 61.156 62.100 -0.100 0.000 1.003 154 T CB 1.810 70.644 68.868 -0.057 0.000 1.084 154 T HN 0.447 nan 8.240 nan 0.000 0.483 155 V N 0.174 120.099 119.914 0.019 0.000 2.540 155 V HA 0.874 4.993 4.120 -0.001 0.000 0.302 155 V C -0.392 175.658 176.094 -0.072 0.000 1.035 155 V CA -0.750 61.522 62.300 -0.047 0.000 0.873 155 V CB 1.528 33.357 31.823 0.009 0.000 0.992 155 V HN 1.022 nan 8.190 nan 0.000 0.428 156 T N 1.155 115.638 114.554 -0.118 0.000 2.963 156 T HA 0.496 4.845 4.350 -0.001 0.000 0.343 156 T C -0.239 174.403 174.700 -0.096 0.000 1.146 156 T CA -0.315 61.737 62.100 -0.080 0.000 1.016 156 T CB 0.392 69.226 68.868 -0.057 0.000 1.046 156 T HN 0.859 nan 8.240 nan 0.000 0.496 157 E N 2.709 122.863 120.200 -0.077 0.000 2.562 157 E HA 0.036 4.385 4.350 -0.001 0.000 0.241 157 E C 0.121 176.690 176.600 -0.052 0.000 1.136 157 E CA 0.478 56.837 56.400 -0.069 0.000 0.952 157 E CB 0.315 29.990 29.700 -0.042 0.000 0.975 157 E HN 0.566 nan 8.360 nan 0.000 0.494 158 Q N 2.232 121.998 119.800 -0.057 0.000 2.484 158 Q HA 0.222 4.561 4.340 -0.001 0.000 0.285 158 Q C -1.144 174.838 176.000 -0.031 0.000 1.097 158 Q CA -0.619 55.161 55.803 -0.039 0.000 0.802 158 Q CB 1.615 30.329 28.738 -0.039 0.000 1.444 158 Q HN 0.557 nan 8.270 nan 0.000 0.429 159 D N 0.475 120.862 120.400 -0.021 0.000 2.762 159 D HA -0.074 4.566 4.640 -0.001 0.000 0.157 159 D C -0.852 175.441 176.300 -0.011 0.000 0.993 159 D CA 0.360 54.352 54.000 -0.015 0.000 0.843 159 D CB -0.822 39.969 40.800 -0.015 0.000 0.877 159 D HN 0.463 nan 8.370 nan 0.000 0.435 160 S N -0.887 114.807 115.700 -0.010 0.000 2.486 160 S HA 0.190 4.659 4.470 -0.001 0.000 0.220 160 S C 1.703 176.300 174.600 -0.006 0.000 1.011 160 S CA 0.746 58.941 58.200 -0.008 0.000 0.921 160 S CB 0.616 63.811 63.200 -0.009 0.000 0.785 160 S HN 0.489 nan 8.310 nan 0.000 0.517 161 G N 0.758 109.555 108.800 -0.006 0.000 3.379 161 G HA2 0.527 4.487 3.960 -0.001 0.000 0.253 161 G HA3 0.527 4.487 3.960 -0.001 0.000 0.253 161 G C 0.390 175.288 174.900 -0.003 0.000 1.262 161 G CA 0.283 45.381 45.100 -0.004 0.000 0.959 161 G HN 0.547 nan 8.290 nan 0.000 0.524 162 G N -0.602 108.196 108.800 -0.004 0.000 2.696 162 G HA2 0.280 4.239 3.960 -0.001 0.000 0.151 162 G HA3 0.280 4.239 3.960 -0.001 0.000 0.151 162 G C 0.435 175.333 174.900 -0.003 0.000 1.197 162 G CA 0.056 45.154 45.100 -0.003 0.000 1.053 162 G HN 0.214 nan 8.290 nan 0.000 0.546 163 Q N -0.404 119.394 119.800 -0.003 0.000 2.200 163 Q HA 0.613 4.952 4.340 -0.001 0.000 0.197 163 Q C 0.602 176.599 176.000 -0.004 0.000 0.953 163 Q CA 1.041 56.842 55.803 -0.003 0.000 0.851 163 Q CB 0.687 29.425 28.738 -0.001 0.000 0.938 163 Q HN 1.710 nan 8.270 nan 0.000 0.488 164 A N 0.507 123.324 122.820 -0.005 0.000 0.939 164 A HA 0.357 4.676 4.320 -0.001 0.000 0.230 164 A C -1.659 175.920 177.584 -0.009 0.000 0.610 164 A CA -0.862 51.169 52.037 -0.009 0.000 0.446 164 A CB -0.196 18.799 19.000 -0.008 0.000 0.919 164 A HN 0.132 nan 8.150 nan 0.000 0.336 165 I N 1.500 122.058 120.570 -0.019 0.000 2.656 165 I HA 0.425 4.595 4.170 -0.001 0.000 0.292 165 I C -0.189 175.888 176.117 -0.067 0.000 1.144 165 I CA -0.579 60.706 61.300 -0.025 0.000 1.038 165 I CB 2.215 40.208 38.000 -0.011 0.000 1.244 165 I HN 0.714 nan 8.210 nan 0.000 0.420 166 K N 5.946 126.279 120.400 -0.112 0.000 2.299 166 K HA 0.586 4.905 4.320 -0.001 0.000 0.268 166 K C -0.356 175.968 176.600 -0.461 0.000 1.075 166 K CA -0.370 55.757 56.287 -0.267 0.000 0.936 166 K CB 1.470 33.787 32.500 -0.304 0.000 1.228 166 K HN 0.443 nan 8.250 nan 0.000 0.454 167 I N 3.235 123.619 120.570 -0.310 0.000 2.575 167 I HA 0.056 4.225 4.170 -0.001 0.000 0.285 167 I C -0.445 175.467 176.117 -0.342 0.000 1.085 167 I CA -0.293 60.873 61.300 -0.223 0.000 1.403 167 I CB 0.350 38.302 38.000 -0.080 0.000 1.409 167 I HN 0.427 nan 8.210 nan 0.000 0.557 168 Y N 5.144 125.477 120.300 0.055 0.000 2.328 168 Y HA 0.366 4.916 4.550 -0.001 0.000 0.336 168 Y C -0.013 175.908 175.900 0.034 0.000 0.960 168 Y CA -0.958 57.180 58.100 0.064 0.000 1.134 168 Y CB 1.027 39.554 38.460 0.112 0.000 1.166 168 Y HN 0.582 nan 8.280 nan 0.000 0.464 169 N N 0.992 119.773 118.700 0.136 0.000 2.571 169 N HA 0.406 5.145 4.740 -0.001 0.000 0.273 169 N C -1.436 174.092 175.510 0.030 0.000 1.340 169 N CA -1.037 52.056 53.050 0.073 0.000 0.789 169 N CB 0.957 39.468 38.487 0.040 0.000 1.514 169 N HN 0.404 nan 8.380 nan 0.000 0.499 170 N N -0.673 118.038 118.700 0.019 0.000 2.482 170 N HA 0.239 4.979 4.740 -0.001 0.000 0.279 170 N C -1.230 174.274 175.510 -0.011 0.000 1.182 170 N CA -0.120 52.928 53.050 -0.004 0.000 0.969 170 N CB 1.136 39.632 38.487 0.015 0.000 1.201 170 N HN 0.662 nan 8.380 nan 0.000 0.523 171 D N 1.226 121.613 120.400 -0.022 0.000 2.443 171 D HA 0.206 4.845 4.640 -0.001 0.000 0.281 171 D C 0.334 176.629 176.300 -0.008 0.000 1.210 171 D CA -0.365 53.624 54.000 -0.019 0.000 0.875 171 D CB -0.049 40.731 40.800 -0.034 0.000 1.125 171 D HN 0.359 nan 8.370 nan 0.000 0.503 172 L N 1.649 122.874 121.223 0.003 0.000 2.834 172 L HA 0.047 4.386 4.340 -0.001 0.000 0.252 172 L C 1.166 178.041 176.870 0.009 0.000 1.152 172 L CA 0.838 55.686 54.840 0.012 0.000 0.898 172 L CB -0.767 41.302 42.059 0.018 0.000 1.078 172 L HN 0.352 nan 8.230 nan 0.000 0.439 173 T N -4.773 109.782 114.554 0.001 0.000 3.016 173 T HA 0.375 4.724 4.350 -0.001 0.000 0.271 173 T C 0.811 175.506 174.700 -0.008 0.000 0.968 173 T CA 0.145 62.244 62.100 -0.002 0.000 0.891 173 T CB 0.458 69.324 68.868 -0.005 0.000 1.149 173 T HN 0.178 nan 8.240 nan 0.000 0.524 174 A N 0.730 123.543 122.820 -0.012 0.000 2.366 174 A HA 0.601 4.920 4.320 -0.001 0.000 0.250 174 A C 0.464 178.039 177.584 -0.015 0.000 1.099 174 A CA -0.429 51.597 52.037 -0.020 0.000 0.794 174 A CB -0.145 18.839 19.000 -0.028 0.000 1.056 174 A HN 0.624 nan 8.150 nan 0.000 0.499 175 C N -0.579 118.703 119.300 -0.029 0.000 3.028 175 C HA 0.831 5.290 4.460 -0.001 0.000 0.338 175 C C 0.083 175.050 174.990 -0.038 0.000 1.366 175 C CA -0.437 58.564 59.018 -0.030 0.000 1.610 175 C CB 1.445 29.165 27.740 -0.034 0.000 2.063 175 C HN 0.908 nan 8.230 nan 0.000 0.463 176 M N 2.063 121.636 119.600 -0.045 0.000 2.483 176 M HA 0.301 4.780 4.480 -0.001 0.000 0.251 176 M C -1.172 175.091 176.300 -0.062 0.000 1.157 176 M CA -0.056 55.208 55.300 -0.060 0.000 0.837 176 M CB 0.306 32.862 32.600 -0.072 0.000 2.535 176 M HN 0.756 nan 8.290 nan 0.000 0.374 177 M N 2.776 122.362 119.600 -0.023 0.000 2.290 177 M HA 0.144 4.623 4.480 -0.001 0.000 0.356 177 M C -0.635 175.753 176.300 0.147 0.000 1.448 177 M CA 0.302 55.657 55.300 0.092 0.000 0.993 177 M CB -0.341 32.398 32.600 0.232 0.000 1.934 177 M HN 0.285 nan 8.290 nan 0.000 0.461 178 V N 3.440 123.315 119.914 -0.066 0.000 2.409 178 V HA 0.710 4.830 4.120 -0.001 0.000 0.291 178 V C -0.094 175.772 176.094 -0.381 0.000 1.020 178 V CA -0.722 61.424 62.300 -0.256 0.000 0.848 178 V CB 1.572 33.056 31.823 -0.565 0.000 0.990 178 V HN 0.951 nan 8.190 nan 0.000 0.430 179 A N 4.719 127.321 122.820 -0.363 0.000 2.311 179 A HA 0.784 5.103 4.320 -0.001 0.000 0.306 179 A C -0.801 176.596 177.584 -0.311 0.000 1.189 179 A CA -0.490 51.283 52.037 -0.439 0.000 0.791 179 A CB 1.526 20.085 19.000 -0.736 0.000 1.172 179 A HN 0.630 nan 8.150 nan 0.000 0.481 180 V N 3.404 123.199 119.914 -0.198 0.000 2.277 180 V HA 0.152 4.271 4.120 -0.001 0.000 0.269 180 V C -0.244 175.775 176.094 -0.126 0.000 1.036 180 V CA -0.264 61.997 62.300 -0.065 0.000 0.821 180 V CB 0.850 32.764 31.823 0.152 0.000 1.052 180 V HN 0.940 nan 8.190 nan 0.000 0.462 181 D N 3.345 123.637 120.400 -0.180 0.000 2.422 181 D HA 0.175 4.814 4.640 -0.001 0.000 0.227 181 D C 1.265 177.481 176.300 -0.141 0.000 1.190 181 D CA 0.317 54.201 54.000 -0.193 0.000 0.905 181 D CB 1.088 41.733 40.800 -0.260 0.000 1.034 181 D HN 0.506 nan 8.370 nan 0.000 0.507 182 S N 2.411 118.027 115.700 -0.141 0.000 2.460 182 S HA -0.060 4.410 4.470 -0.001 0.000 0.226 182 S C 1.570 176.082 174.600 -0.147 0.000 1.057 182 S CA -0.106 57.998 58.200 -0.159 0.000 0.948 182 S CB -0.489 62.589 63.200 -0.203 0.000 0.822 182 S HN 0.532 nan 8.310 nan 0.000 0.512 183 N N 2.391 121.005 118.700 -0.143 0.000 2.731 183 N HA -0.046 4.694 4.740 -0.001 0.000 0.199 183 N C -0.405 175.031 175.510 -0.123 0.000 1.206 183 N CA 0.121 53.092 53.050 -0.131 0.000 0.955 183 N CB -0.554 37.852 38.487 -0.135 0.000 0.997 183 N HN 0.326 nan 8.380 nan 0.000 0.449 184 N N 0.421 119.056 118.700 -0.107 0.000 2.718 184 N HA -0.229 4.511 4.740 -0.001 0.000 0.268 184 N C 0.518 175.964 175.510 -0.107 0.000 0.965 184 N CA 0.445 53.459 53.050 -0.060 0.000 0.817 184 N CB -0.585 37.905 38.487 0.004 0.000 0.914 184 N HN 0.498 nan 8.380 nan 0.000 0.558 185 I N -0.559 119.889 120.570 -0.204 0.000 2.339 185 I HA -0.094 4.076 4.170 -0.001 0.000 0.245 185 I C 1.463 177.280 176.117 -0.501 0.000 1.096 185 I CA 0.647 61.748 61.300 -0.333 0.000 1.408 185 I CB 0.010 37.773 38.000 -0.395 0.000 1.092 185 I HN 0.137 nan 8.210 nan 0.000 0.423 186 L N 1.006 121.964 121.223 -0.441 0.000 2.476 186 L HA 0.203 4.543 4.340 -0.001 0.000 0.255 186 L C -1.972 174.880 176.870 -0.031 0.000 1.218 186 L CA -1.763 52.859 54.840 -0.363 0.000 0.819 186 L CB -0.596 41.309 42.059 -0.257 0.000 1.119 186 L HN -0.149 nan 8.230 nan 0.000 0.485 187 P HA -0.032 nan 4.420 nan 0.000 0.274 187 P C -1.462 176.031 177.300 0.321 0.000 1.264 187 P CA 0.052 63.315 63.100 0.273 0.000 0.795 187 P CB 0.251 32.147 31.700 0.327 0.000 1.064 188 Y N 0.195 120.615 120.300 0.199 0.000 2.388 188 Y HA 0.347 4.897 4.550 -0.001 0.000 0.328 188 Y C -0.098 175.917 175.900 0.192 0.000 0.963 188 Y CA -0.289 57.928 58.100 0.195 0.000 1.240 188 Y CB 0.441 39.006 38.460 0.175 0.000 1.118 188 Y HN 0.171 nan 8.280 nan 0.000 0.484 189 T N 4.232 118.799 114.554 0.022 0.000 3.355 189 T HA 0.352 4.702 4.350 -0.001 0.000 0.376 189 T C -2.871 171.786 174.700 -0.071 0.000 1.683 189 T CA -2.394 59.717 62.100 0.019 0.000 1.269 189 T CB 0.215 69.079 68.868 -0.007 0.000 1.158 189 T HN 0.346 nan 8.240 nan 0.000 0.703 190 P HA 0.241 nan 4.420 nan 0.000 0.263 190 P C 1.119 178.401 177.300 -0.031 0.000 1.276 190 P CA -0.147 62.930 63.100 -0.038 0.000 0.986 190 P CB 0.208 31.965 31.700 0.095 0.000 1.105 191 A N 4.642 127.427 122.820 -0.058 0.000 2.032 191 A HA -0.189 4.131 4.320 -0.001 0.000 0.221 191 A C 2.115 179.667 177.584 -0.053 0.000 1.165 191 A CA 1.845 53.851 52.037 -0.051 0.000 0.645 191 A CB -1.106 17.863 19.000 -0.051 0.000 0.807 191 A HN 0.475 nan 8.150 nan 0.000 0.453 192 A N -0.353 122.436 122.820 -0.052 0.000 2.178 192 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 192 A C 1.765 179.347 177.584 -0.003 0.000 1.157 192 A CA 1.515 53.530 52.037 -0.037 0.000 0.689 192 A CB -0.874 18.104 19.000 -0.036 0.000 0.787 192 A HN 0.767 nan 8.150 nan 0.000 0.465 193 N N 0.272 118.971 118.700 -0.002 0.000 2.028 193 N HA -0.137 4.602 4.740 -0.001 0.000 0.194 193 N C 1.280 176.787 175.510 -0.005 0.000 1.050 193 N CA 1.593 54.650 53.050 0.012 0.000 0.848 193 N CB -0.059 38.439 38.487 0.018 0.000 1.038 193 N HN 0.486 nan 8.380 nan 0.000 0.423 194 S N 0.230 115.914 115.700 -0.026 0.000 2.602 194 S HA 0.221 4.690 4.470 -0.001 0.000 0.246 194 S C 0.116 174.677 174.600 -0.065 0.000 1.009 194 S CA -0.307 57.872 58.200 -0.034 0.000 1.052 194 S CB 0.222 63.401 63.200 -0.034 0.000 0.778 194 S HN 0.219 nan 8.310 nan 0.000 0.455 195 M N 1.030 120.579 119.600 -0.086 0.000 2.175 195 M HA -0.178 4.301 4.480 -0.001 0.000 0.192 195 M C -0.504 175.607 176.300 -0.315 0.000 0.473 195 M CA 1.010 56.181 55.300 -0.215 0.000 0.414 195 M CB -2.709 29.782 32.600 -0.181 0.000 1.069 195 M HN 0.607 nan 8.290 nan 0.000 0.933 196 E N -0.706 119.381 120.200 -0.188 0.000 3.037 196 E HA 0.423 4.772 4.350 -0.001 0.000 0.220 196 E C 0.224 176.788 176.600 -0.059 0.000 1.142 196 E CA -0.237 56.099 56.400 -0.105 0.000 0.888 196 E CB 1.016 30.686 29.700 -0.049 0.000 1.329 196 E HN 0.376 nan 8.360 nan 0.000 0.409 197 T N 0.326 114.872 114.554 -0.012 0.000 2.708 197 T HA 0.473 4.822 4.350 -0.001 0.000 0.256 197 T C -0.271 174.485 174.700 0.093 0.000 0.946 197 T CA -0.611 61.519 62.100 0.050 0.000 1.039 197 T CB 0.756 69.685 68.868 0.101 0.000 1.557 197 T HN 0.073 nan 8.240 nan 0.000 0.576 198 L N 1.153 122.382 121.223 0.010 0.000 2.322 198 L HA 0.590 4.929 4.340 -0.001 0.000 0.279 198 L C 1.141 177.985 176.870 -0.042 0.000 1.036 198 L CA -0.449 54.323 54.840 -0.113 0.000 0.807 198 L CB 0.739 42.597 42.059 -0.334 0.000 1.226 198 L HN 0.826 nan 8.230 nan 0.000 0.433 199 G N 1.101 109.811 108.800 -0.150 0.000 2.469 199 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.229 199 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.229 199 G C 0.342 175.241 174.900 -0.002 0.000 1.222 199 G CA -0.010 44.972 45.100 -0.196 0.000 0.861 199 G HN 0.484 nan 8.290 nan 0.000 0.538 200 F N -0.002 119.605 119.950 -0.572 0.000 2.582 200 F HA 0.234 4.761 4.527 -0.001 0.000 0.290 200 F C 0.856 176.226 175.800 -0.716 0.000 1.115 200 F CA -0.740 56.856 58.000 -0.674 0.000 1.445 200 F CB -0.404 38.052 39.000 -0.907 0.000 1.126 200 F HN 0.355 nan 8.300 nan 0.000 0.574 201 Y N 2.413 122.514 120.300 -0.330 0.000 2.556 201 Y HA 0.263 4.812 4.550 -0.001 0.000 0.352 201 Y C -1.486 174.084 175.900 -0.551 0.000 1.006 201 Y CA -3.220 54.404 58.100 -0.792 0.000 1.277 201 Y CB -0.355 37.285 38.460 -1.367 0.000 1.136 201 Y HN -0.093 nan 8.280 nan 0.000 0.523 202 P HA -0.155 nan 4.420 nan 0.000 0.229 202 P C 0.212 177.750 177.300 0.396 0.000 1.150 202 P CA 1.183 64.426 63.100 0.239 0.000 0.765 202 P CB -0.261 31.661 31.700 0.369 0.000 0.783 203 W N -1.570 119.858 121.300 0.213 0.000 2.693 203 W HA 0.520 5.179 4.660 -0.001 0.000 0.415 203 W C -0.475 176.139 176.519 0.159 0.000 0.932 203 W CA -0.679 56.773 57.345 0.178 0.000 2.200 203 W CB 0.178 29.722 29.460 0.140 0.000 1.188 203 W HN -0.389 nan 8.180 nan 0.000 0.665 204 K N 2.661 122.968 120.400 -0.155 0.000 2.578 204 K HA 0.327 4.646 4.320 -0.001 0.000 0.250 204 K C -2.732 173.830 176.600 -0.063 0.000 0.955 204 K CA -2.053 54.160 56.287 -0.124 0.000 0.825 204 K CB 1.682 34.054 32.500 -0.212 0.000 1.151 204 K HN -0.160 nan 8.250 nan 0.000 0.432 205 P HA 0.037 nan 4.420 nan 0.000 0.264 205 P C 0.074 177.312 177.300 -0.104 0.000 1.193 205 P CA 0.076 63.119 63.100 -0.095 0.000 0.763 205 P CB 0.743 32.372 31.700 -0.118 0.000 0.810 206 T N 1.988 116.469 114.554 -0.122 0.000 2.804 206 T HA 0.790 5.139 4.350 -0.001 0.000 0.272 206 T C -0.239 174.396 174.700 -0.109 0.000 0.986 206 T CA -0.855 61.173 62.100 -0.120 0.000 0.999 206 T CB 0.540 69.323 68.868 -0.141 0.000 1.307 206 T HN 0.343 nan 8.240 nan 0.000 0.586 207 I N -0.965 119.554 120.570 -0.084 0.000 3.074 207 I HA 0.846 5.016 4.170 -0.001 0.000 0.310 207 I C -0.024 176.063 176.117 -0.051 0.000 1.153 207 I CA -1.654 59.616 61.300 -0.050 0.000 0.993 207 I CB 1.414 39.416 38.000 0.005 0.000 1.237 207 I HN 0.781 nan 8.210 nan 0.000 0.443 208 A N 1.769 124.574 122.820 -0.025 0.000 2.388 208 A HA 0.694 5.014 4.320 -0.001 0.000 0.280 208 A C -0.013 177.578 177.584 0.012 0.000 1.377 208 A CA -0.382 51.650 52.037 -0.008 0.000 0.863 208 A CB 0.699 19.724 19.000 0.041 0.000 1.416 208 A HN 0.772 nan 8.150 nan 0.000 0.517 209 S N 0.426 116.135 115.700 0.015 0.000 2.707 209 S HA 0.595 5.064 4.470 -0.001 0.000 0.303 209 S C -3.015 171.581 174.600 -0.006 0.000 1.132 209 S CA -1.619 56.587 58.200 0.010 0.000 1.046 209 S CB 1.109 64.306 63.200 -0.005 0.000 1.004 209 S HN 0.391 nan 8.310 nan 0.000 0.483 210 P HA 0.048 nan 4.420 nan 0.000 0.263 210 P C -1.041 176.073 177.300 -0.310 0.000 1.195 210 P CA 0.000 62.965 63.100 -0.226 0.000 0.762 210 P CB -0.132 31.354 31.700 -0.357 0.000 0.799 211 Y N 5.581 125.687 120.300 -0.324 0.000 2.465 211 Y HA 0.185 4.734 4.550 -0.001 0.000 0.331 211 Y C 0.816 176.538 175.900 -0.297 0.000 1.102 211 Y CA 0.161 58.137 58.100 -0.206 0.000 1.358 211 Y CB 0.505 38.938 38.460 -0.045 0.000 1.213 211 Y HN 0.355 nan 8.280 nan 0.000 0.525 212 R N 6.139 126.182 120.500 -0.761 0.000 2.651 212 R HA 0.459 4.798 4.340 -0.001 0.000 0.278 212 R C -2.151 173.793 176.300 -0.594 0.000 1.010 212 R CA -0.838 54.920 56.100 -0.570 0.000 0.896 212 R CB 1.612 31.716 30.300 -0.326 0.000 1.211 212 R HN 0.716 nan 8.270 nan 0.000 0.456 213 Y N -0.654 119.414 120.300 -0.387 0.000 2.605 213 Y HA 0.570 5.119 4.550 -0.001 0.000 0.343 213 Y C -1.246 174.623 175.900 -0.052 0.000 1.036 213 Y CA -1.728 56.223 58.100 -0.248 0.000 1.065 213 Y CB 0.748 39.192 38.460 -0.027 0.000 1.288 213 Y HN 0.434 nan 8.280 nan 0.000 0.481 214 Y N 1.738 122.198 120.300 0.267 0.000 2.397 214 Y HA 0.347 4.896 4.550 -0.001 0.000 0.335 214 Y C -0.451 175.641 175.900 0.320 0.000 1.213 214 Y CA -0.275 57.958 58.100 0.222 0.000 1.391 214 Y CB 0.558 39.118 38.460 0.166 0.000 1.293 214 Y HN 0.667 nan 8.280 nan 0.000 0.557 215 F N 1.774 121.900 119.950 0.293 0.000 2.578 215 F HA 0.440 4.967 4.527 -0.001 0.000 0.311 215 F C -0.791 175.089 175.800 0.132 0.000 1.094 215 F CA -1.539 56.562 58.000 0.169 0.000 0.923 215 F CB 0.929 39.962 39.000 0.056 0.000 1.230 215 F HN 0.566 nan 8.300 nan 0.000 0.450 216 C N 7.077 126.020 119.300 -0.594 0.000 2.632 216 C HA 0.596 5.055 4.460 -0.001 0.000 0.415 216 C C 0.786 175.742 174.990 -0.056 0.000 1.332 216 C CA 0.429 59.268 59.018 -0.298 0.000 1.874 216 C CB -1.181 26.346 27.740 -0.354 0.000 2.596 216 C HN 0.778 nan 8.230 nan 0.000 0.590 217 V N 2.153 122.100 119.914 0.056 0.000 5.043 217 V HA 0.733 4.853 4.120 -0.001 0.000 0.147 217 V C -0.591 175.547 176.094 0.073 0.000 0.943 217 V CA 0.377 62.748 62.300 0.118 0.000 1.408 217 V CB -0.449 31.463 31.823 0.149 0.000 2.221 217 V HN 0.698 nan 8.190 nan 0.000 0.440 218 D N -1.026 119.418 120.400 0.072 0.000 5.662 218 D HA 0.322 4.962 4.640 -0.001 0.000 0.177 218 D C -0.908 175.437 176.300 0.075 0.000 1.485 218 D CA -0.146 53.891 54.000 0.062 0.000 1.776 218 D CB 0.321 41.154 40.800 0.055 0.000 4.751 218 D HN 0.724 nan 8.370 nan 0.000 0.713 219 R N 1.078 121.619 120.500 0.068 0.000 2.817 219 R HA 0.748 5.088 4.340 -0.001 0.000 0.268 219 R C -1.671 174.658 176.300 0.048 0.000 1.027 219 R CA -0.702 55.440 56.100 0.069 0.000 0.928 219 R CB 1.687 32.027 30.300 0.066 0.000 1.228 219 R HN 0.375 nan 8.270 nan 0.000 0.469 220 D N 1.939 122.355 120.400 0.027 0.000 2.452 220 D HA 0.251 4.891 4.640 -0.001 0.000 0.226 220 D C -1.660 174.571 176.300 -0.115 0.000 1.366 220 D CA -0.384 53.595 54.000 -0.035 0.000 0.986 220 D CB 1.673 42.463 40.800 -0.016 0.000 1.420 220 D HN 0.195 nan 8.370 nan 0.000 0.583 221 L N 1.793 122.952 121.223 -0.106 0.000 2.410 221 L HA 0.708 5.047 4.340 -0.001 0.000 0.270 221 L C -0.518 176.280 176.870 -0.120 0.000 0.983 221 L CA -0.389 54.382 54.840 -0.115 0.000 0.822 221 L CB 1.930 43.956 42.059 -0.054 0.000 1.285 221 L HN 0.356 nan 8.230 nan 0.000 0.409 222 S N 3.461 119.077 115.700 -0.139 0.000 2.617 222 S HA 0.799 5.268 4.470 -0.001 0.000 0.283 222 S C 0.038 174.599 174.600 -0.065 0.000 1.189 222 S CA -0.761 57.380 58.200 -0.098 0.000 1.036 222 S CB 1.460 64.601 63.200 -0.098 0.000 1.014 222 S HN 0.561 nan 8.310 nan 0.000 0.522 223 V N 1.517 121.403 119.914 -0.047 0.000 3.319 223 V HA 0.710 4.830 4.120 -0.001 0.000 0.303 223 V C 0.642 176.711 176.094 -0.041 0.000 1.094 223 V CA -0.070 62.206 62.300 -0.039 0.000 1.106 223 V CB 0.414 32.225 31.823 -0.021 0.000 1.099 223 V HN 1.309 nan 8.190 nan 0.000 0.476 224 T N -0.454 114.077 114.554 -0.037 0.000 3.230 224 T HA 0.412 4.762 4.350 -0.001 0.000 0.390 224 T C -1.314 173.354 174.700 -0.052 0.000 1.761 224 T CA -0.881 61.161 62.100 -0.097 0.000 1.129 224 T CB 0.378 69.162 68.868 -0.140 0.000 1.583 224 T HN 0.995 nan 8.240 nan 0.000 0.480 225 Y N 0.591 120.862 120.300 -0.049 0.000 2.360 225 Y HA 0.797 5.346 4.550 -0.001 0.000 0.337 225 Y C 1.251 177.127 175.900 -0.040 0.000 1.039 225 Y CA -1.034 57.035 58.100 -0.052 0.000 1.109 225 Y CB 0.834 39.264 38.460 -0.050 0.000 1.201 225 Y HN 0.919 nan 8.280 nan 0.000 0.458 226 E N 1.198 121.452 120.200 0.091 0.000 3.663 226 E HA -0.448 3.901 4.350 -0.001 0.000 0.457 226 E C 0.717 177.300 176.600 -0.028 0.000 1.577 226 E CA 2.741 59.165 56.400 0.041 0.000 1.373 226 E CB -0.683 29.071 29.700 0.090 0.000 1.259 226 E HN 0.980 nan 8.360 nan 0.000 0.343 227 N N 0.992 119.677 118.700 -0.024 0.000 2.432 227 N HA -0.029 4.710 4.740 -0.001 0.000 0.174 227 N C 0.591 175.999 175.510 -0.170 0.000 1.037 227 N CA 0.787 53.798 53.050 -0.066 0.000 0.892 227 N CB 0.190 38.668 38.487 -0.014 0.000 1.049 227 N HN 0.370 nan 8.380 nan 0.000 0.442 228 Q N 1.000 120.594 119.800 -0.343 0.000 2.774 228 Q HA -0.254 4.085 4.340 -0.001 0.000 0.315 228 Q C -0.541 175.316 176.000 -0.238 0.000 1.687 228 Q CA 1.182 56.654 55.803 -0.551 0.000 0.386 228 Q CB 0.279 28.475 28.738 -0.903 0.000 1.468 228 Q HN 0.277 nan 8.270 nan 0.000 0.587 229 E N -0.303 119.790 120.200 -0.178 0.000 2.446 229 E HA 0.540 4.889 4.350 -0.001 0.000 0.251 229 E C 0.578 177.129 176.600 -0.083 0.000 1.087 229 E CA -0.107 56.239 56.400 -0.091 0.000 0.937 229 E CB 0.814 30.488 29.700 -0.044 0.000 1.254 229 E HN 0.947 nan 8.360 nan 0.000 0.479 230 G N 0.040 108.810 108.800 -0.049 0.000 2.578 230 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.275 230 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.275 230 G C -0.021 174.856 174.900 -0.040 0.000 1.271 230 G CA 0.254 45.332 45.100 -0.036 0.000 0.941 230 G HN 0.645 nan 8.290 nan 0.000 0.564 231 T N -2.283 112.255 114.554 -0.026 0.000 2.807 231 T HA 0.717 5.067 4.350 -0.001 0.000 0.277 231 T C 1.605 176.297 174.700 -0.013 0.000 1.006 231 T CA -0.141 61.948 62.100 -0.019 0.000 1.006 231 T CB 1.601 70.468 68.868 -0.001 0.000 1.274 231 T HN 0.595 nan 8.240 nan 0.000 0.569 232 I N 0.125 120.695 120.570 -0.001 0.000 2.716 232 I HA 0.073 4.242 4.170 -0.001 0.000 0.259 232 I C 1.730 177.885 176.117 0.064 0.000 1.172 232 I CA 0.828 62.131 61.300 0.004 0.000 1.478 232 I CB -0.347 37.650 38.000 -0.006 0.000 1.104 232 I HN 0.910 nan 8.210 nan 0.000 0.439 233 E N -0.466 119.797 120.200 0.105 0.000 3.770 233 E HA -0.216 4.133 4.350 -0.001 0.000 0.180 233 E C -0.225 176.561 176.600 0.309 0.000 1.064 233 E CA 1.251 57.783 56.400 0.221 0.000 2.480 233 E CB -0.725 29.202 29.700 0.378 0.000 1.675 233 E HN 0.576 nan 8.360 nan 0.000 0.495 234 H N 0.042 119.119 119.070 0.012 0.000 2.806 234 H HA 0.699 5.255 4.556 -0.001 0.000 0.367 234 H C -1.034 174.319 175.328 0.041 0.000 1.136 234 H CA -1.159 54.903 56.048 0.022 0.000 1.178 234 H CB 1.145 30.920 29.762 0.021 0.000 1.718 234 H HN 0.132 nan 8.280 nan 0.000 0.540 235 N N 2.151 120.927 118.700 0.127 0.000 2.791 235 N HA 0.235 4.974 4.740 -0.001 0.000 0.265 235 N C -1.129 174.489 175.510 0.180 0.000 1.580 235 N CA -0.195 52.932 53.050 0.129 0.000 0.809 235 N CB 0.709 39.292 38.487 0.160 0.000 1.178 235 N HN 0.452 nan 8.380 nan 0.000 0.499 236 V N 0.205 120.208 119.914 0.149 0.000 2.612 236 V HA 0.489 4.608 4.120 -0.001 0.000 0.301 236 V C 1.276 177.459 176.094 0.149 0.000 1.046 236 V CA -0.862 61.511 62.300 0.121 0.000 0.946 236 V CB 1.678 33.564 31.823 0.105 0.000 1.003 236 V HN 0.176 nan 8.190 nan 0.000 0.459 237 M N 1.977 121.645 119.600 0.112 0.000 2.272 237 M HA 0.533 5.012 4.480 -0.001 0.000 0.205 237 M C 0.801 177.160 176.300 0.098 0.000 1.419 237 M CA 1.044 56.423 55.300 0.131 0.000 1.700 237 M CB -0.465 32.185 32.600 0.083 0.000 1.019 237 M HN 1.063 nan 8.290 nan 0.000 0.821 238 G N 0.059 108.909 108.800 0.083 0.000 2.030 238 G HA2 0.372 4.331 3.960 -0.001 0.000 0.309 238 G HA3 0.372 4.331 3.960 -0.001 0.000 0.309 238 G C -0.733 174.217 174.900 0.085 0.000 1.668 238 G CA -0.702 44.445 45.100 0.079 0.000 0.926 238 G HN 0.489 nan 8.290 nan 0.000 0.652 239 T N 2.956 117.552 114.554 0.069 0.000 2.667 239 T HA 0.461 4.810 4.350 -0.001 0.000 0.305 239 T C -2.181 172.582 174.700 0.105 0.000 1.022 239 T CA -0.736 61.407 62.100 0.073 0.000 0.995 239 T CB 0.538 69.437 68.868 0.051 0.000 1.026 239 T HN 0.401 nan 8.240 nan 0.000 0.527 240 P HA 0.133 nan 4.420 nan 0.000 0.262 240 P C -0.110 177.248 177.300 0.098 0.000 1.199 240 P CA -0.091 63.109 63.100 0.166 0.000 0.763 240 P CB 0.285 32.081 31.700 0.161 0.000 0.790 241 K N 2.981 123.420 120.400 0.066 0.000 3.192 241 K HA 0.099 4.418 4.320 -0.001 0.000 0.269 241 K C 1.113 177.722 176.600 0.016 0.000 1.270 241 K CA -0.192 56.111 56.287 0.026 0.000 1.249 241 K CB -0.814 31.683 32.500 -0.005 0.000 1.528 241 K HN 0.649 nan 8.250 nan 0.000 0.360 242 G N 1.389 110.214 108.800 0.043 0.000 2.823 242 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.224 242 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.224 242 G C 0.774 175.689 174.900 0.024 0.000 0.795 242 G CA 0.730 45.857 45.100 0.044 0.000 1.579 242 G HN 0.471 nan 8.290 nan 0.000 0.568 243 M N -1.571 118.030 119.600 0.002 0.000 1.708 243 M HA 0.083 4.562 4.480 -0.001 0.000 0.222 243 M C 1.167 177.452 176.300 -0.025 0.000 1.127 243 M CA 0.062 55.361 55.300 -0.003 0.000 0.938 243 M CB 0.405 33.006 32.600 0.002 0.000 1.754 243 M HN 0.190 nan 8.290 nan 0.000 0.635 244 N N 0.179 118.843 118.700 -0.061 0.000 2.205 244 N HA 0.153 4.892 4.740 -0.001 0.000 0.201 244 N C -0.160 175.228 175.510 -0.203 0.000 1.128 244 N CA 0.119 53.107 53.050 -0.103 0.000 0.867 244 N CB 0.794 39.217 38.487 -0.106 0.000 0.996 244 N HN 0.054 nan 8.380 nan 0.000 0.503 245 S N 1.344 116.924 115.700 -0.201 0.000 2.552 245 S HA 0.052 4.521 4.470 -0.001 0.000 0.289 245 S C 0.496 174.997 174.600 -0.166 0.000 1.304 245 S CA 0.431 58.465 58.200 -0.276 0.000 1.063 245 S CB 0.600 63.803 63.200 0.006 0.000 0.848 245 S HN 0.205 nan 8.310 nan 0.000 0.499 246 Q N 2.177 121.868 119.800 -0.183 0.000 3.761 246 Q HA 0.165 4.505 4.340 -0.001 0.000 0.206 246 Q C -1.621 174.235 176.000 -0.240 0.000 0.900 246 Q CA -0.280 55.371 55.803 -0.252 0.000 0.737 246 Q CB 0.819 29.380 28.738 -0.296 0.000 1.454 246 Q HN 0.622 nan 8.270 nan 0.000 0.448 247 F N 2.405 122.247 119.950 -0.180 0.000 2.404 247 F HA 0.518 5.045 4.527 -0.001 0.000 0.358 247 F C -1.252 174.457 175.800 -0.153 0.000 1.120 247 F CA -1.087 56.914 58.000 0.002 0.000 1.144 247 F CB 0.223 39.301 39.000 0.131 0.000 1.133 247 F HN 0.149 nan 8.300 nan 0.000 0.495 248 F N 2.079 122.251 119.950 0.369 0.000 2.557 248 F HA 0.691 5.217 4.527 -0.001 0.000 0.336 248 F C 0.070 175.739 175.800 -0.218 0.000 1.058 248 F CA -1.185 56.773 58.000 -0.071 0.000 0.988 248 F CB 1.823 40.759 39.000 -0.107 0.000 1.275 248 F HN 0.241 nan 8.300 nan 0.000 0.488 249 T N 1.584 116.126 114.554 -0.019 0.000 3.335 249 T HA 0.350 4.699 4.350 -0.001 0.000 0.321 249 T C 1.066 175.748 174.700 -0.030 0.000 0.960 249 T CA -0.456 61.553 62.100 -0.151 0.000 1.034 249 T CB 0.867 69.502 68.868 -0.388 0.000 1.040 249 T HN 0.429 nan 8.240 nan 0.000 0.454 250 I N 1.055 121.665 120.570 0.066 0.000 2.194 250 I HA -0.184 3.985 4.170 -0.001 0.000 0.246 250 I C 1.628 177.683 176.117 -0.102 0.000 1.093 250 I CA 1.484 62.671 61.300 -0.188 0.000 1.355 250 I CB -0.090 37.514 38.000 -0.660 0.000 1.046 250 I HN 0.606 nan 8.210 nan 0.000 0.413 251 E N 0.770 121.052 120.200 0.137 0.000 2.322 251 E HA -0.017 4.332 4.350 -0.001 0.000 0.195 251 E C 0.468 177.087 176.600 0.032 0.000 1.198 251 E CA 0.219 56.710 56.400 0.152 0.000 1.132 251 E CB -0.153 29.719 29.700 0.286 0.000 1.213 251 E HN 0.496 nan 8.360 nan 0.000 0.450 252 N N -2.607 116.071 118.700 -0.037 0.000 2.121 252 N HA -0.052 4.687 4.740 -0.001 0.000 0.254 252 N C 1.170 176.628 175.510 -0.086 0.000 1.140 252 N CA 0.786 53.797 53.050 -0.063 0.000 0.785 252 N CB 0.654 39.086 38.487 -0.093 0.000 1.564 252 N HN 0.157 nan 8.380 nan 0.000 0.536 253 T N -2.060 112.421 114.554 -0.122 0.000 3.042 253 T HA 0.265 4.614 4.350 -0.001 0.000 0.245 253 T C 0.537 175.134 174.700 -0.171 0.000 1.029 253 T CA 0.265 62.273 62.100 -0.155 0.000 1.120 253 T CB 0.324 69.061 68.868 -0.219 0.000 0.917 253 T HN -0.060 nan 8.240 nan 0.000 0.467 254 Q N 1.046 120.726 119.800 -0.200 0.000 2.342 254 Q HA 0.460 4.799 4.340 -0.001 0.000 0.267 254 Q C -0.886 175.000 176.000 -0.190 0.000 1.038 254 Q CA -0.715 54.956 55.803 -0.219 0.000 0.832 254 Q CB 2.242 30.795 28.738 -0.308 0.000 1.323 254 Q HN 0.390 nan 8.270 nan 0.000 0.448 255 Q N 1.317 121.022 119.800 -0.159 0.000 2.394 255 Q HA 0.325 4.664 4.340 -0.001 0.000 0.248 255 Q C -0.576 175.326 176.000 -0.163 0.000 0.992 255 Q CA 0.343 56.071 55.803 -0.125 0.000 0.888 255 Q CB 0.830 29.512 28.738 -0.095 0.000 1.257 255 Q HN 0.466 nan 8.270 nan 0.000 0.462 256 I N 1.277 121.781 120.570 -0.111 0.000 2.466 256 I HA 0.209 4.378 4.170 -0.001 0.000 0.289 256 I C -0.575 175.483 176.117 -0.099 0.000 1.026 256 I CA -0.582 60.657 61.300 -0.101 0.000 1.078 256 I CB 2.146 40.167 38.000 0.036 0.000 1.249 256 I HN 0.475 nan 8.210 nan 0.000 0.429 257 T N 7.112 121.556 114.554 -0.183 0.000 3.016 257 T HA 0.330 4.679 4.350 -0.001 0.000 0.335 257 T C 0.059 174.684 174.700 -0.125 0.000 1.176 257 T CA -0.460 61.540 62.100 -0.166 0.000 0.987 257 T CB -0.087 68.609 68.868 -0.287 0.000 1.073 257 T HN 0.197 nan 8.240 nan 0.000 0.547 258 L N 4.417 125.606 121.223 -0.057 0.000 2.774 258 L HA 0.117 4.456 4.340 -0.001 0.000 0.279 258 L C 0.180 177.032 176.870 -0.030 0.000 1.137 258 L CA 0.524 55.343 54.840 -0.035 0.000 1.021 258 L CB -0.391 41.658 42.059 -0.017 0.000 1.366 258 L HN 0.473 nan 8.230 nan 0.000 0.471 259 L N 4.828 126.025 121.223 -0.043 0.000 2.292 259 L HA 0.401 4.740 4.340 -0.001 0.000 0.284 259 L C 1.083 177.951 176.870 -0.002 0.000 1.065 259 L CA -0.469 54.361 54.840 -0.017 0.000 0.806 259 L CB 1.053 43.090 42.059 -0.037 0.000 1.175 259 L HN 0.636 nan 8.230 nan 0.000 0.431 260 R N 1.191 121.703 120.500 0.020 0.000 1.557 260 R HA 0.354 4.693 4.340 -0.001 0.000 0.106 260 R C 0.903 177.231 176.300 0.048 0.000 1.616 260 R CA -0.110 56.005 56.100 0.026 0.000 1.892 260 R CB -0.113 30.202 30.300 0.025 0.000 1.185 260 R HN 0.536 nan 8.270 nan 0.000 0.608 261 T N -0.285 114.303 114.554 0.056 0.000 3.071 261 T HA 0.070 4.419 4.350 -0.001 0.000 0.239 261 T C 1.269 176.026 174.700 0.094 0.000 0.997 261 T CA 0.711 62.858 62.100 0.079 0.000 1.134 261 T CB -0.018 68.890 68.868 0.068 0.000 0.928 261 T HN 0.617 nan 8.240 nan 0.000 0.453 262 G N 2.000 110.845 108.800 0.075 0.000 3.440 262 G HA2 0.168 4.127 3.960 -0.001 0.000 0.263 262 G HA3 0.168 4.127 3.960 -0.001 0.000 0.263 262 G C -0.378 174.569 174.900 0.079 0.000 1.236 262 G CA -0.195 44.951 45.100 0.076 0.000 0.927 262 G HN 0.307 nan 8.290 nan 0.000 0.530 263 D N 0.564 121.018 120.400 0.090 0.000 2.192 263 D HA 0.274 4.913 4.640 -0.001 0.000 0.246 263 D C -0.376 176.005 176.300 0.135 0.000 1.042 263 D CA -0.176 53.881 54.000 0.094 0.000 0.847 263 D CB 2.039 42.883 40.800 0.073 0.000 1.186 263 D HN 0.453 nan 8.370 nan 0.000 0.461 264 E N 1.897 122.181 120.200 0.140 0.000 2.165 264 E HA 0.358 4.707 4.350 -0.001 0.000 0.266 264 E C -1.619 175.105 176.600 0.206 0.000 0.889 264 E CA -0.817 55.690 56.400 0.177 0.000 0.756 264 E CB 1.161 30.939 29.700 0.130 0.000 1.131 264 E HN 0.151 nan 8.360 nan 0.000 0.411 265 F N 3.818 123.808 119.950 0.067 0.000 2.436 265 F HA 0.754 5.280 4.527 -0.001 0.000 0.340 265 F C -1.182 174.651 175.800 0.056 0.000 1.113 265 F CA -0.648 57.374 58.000 0.037 0.000 1.022 265 F CB 1.546 40.549 39.000 0.006 0.000 1.128 265 F HN 0.690 nan 8.300 nan 0.000 0.466 266 A N 3.858 126.184 122.820 -0.823 0.000 2.520 266 A HA 0.681 5.000 4.320 -0.001 0.000 0.298 266 A C -0.767 176.380 177.584 -0.729 0.000 1.051 266 A CA -0.632 51.008 52.037 -0.661 0.000 0.690 266 A CB 1.078 19.918 19.000 -0.268 0.000 1.281 266 A HN 0.707 nan 8.150 nan 0.000 0.402 267 T N 0.594 114.831 114.554 -0.529 0.000 2.849 267 T HA 0.664 5.013 4.350 -0.001 0.000 0.276 267 T C 0.889 175.453 174.700 -0.227 0.000 0.971 267 T CA 0.153 62.050 62.100 -0.337 0.000 0.949 267 T CB 1.227 69.971 68.868 -0.208 0.000 1.093 267 T HN 1.146 nan 8.240 nan 0.000 0.545 268 G N -0.040 108.645 108.800 -0.191 0.000 2.522 268 G HA2 0.469 4.428 3.960 -0.001 0.000 0.304 268 G HA3 0.469 4.428 3.960 -0.001 0.000 0.304 268 G C -0.471 174.299 174.900 -0.218 0.000 1.210 268 G CA -0.695 44.292 45.100 -0.188 0.000 0.960 268 G HN 0.617 nan 8.290 nan 0.000 0.497 269 T N 1.061 115.445 114.554 -0.284 0.000 2.775 269 T HA 0.097 4.446 4.350 -0.001 0.000 0.287 269 T C -0.585 173.763 174.700 -0.586 0.000 0.909 269 T CA 0.092 61.951 62.100 -0.401 0.000 1.081 269 T CB -0.040 68.561 68.868 -0.445 0.000 0.891 269 T HN 0.322 nan 8.240 nan 0.000 0.544 270 Y N 5.320 125.283 120.300 -0.562 0.000 2.531 270 Y HA 0.272 4.821 4.550 -0.001 0.000 0.347 270 Y C -0.835 174.669 175.900 -0.660 0.000 1.024 270 Y CA -2.096 55.636 58.100 -0.614 0.000 1.306 270 Y CB -0.386 37.730 38.460 -0.575 0.000 1.149 270 Y HN 0.471 nan 8.280 nan 0.000 0.527 271 Y N 6.241 126.339 120.300 -0.337 0.000 2.304 271 Y HA 0.291 4.840 4.550 -0.001 0.000 0.328 271 Y C -0.414 175.014 175.900 -0.787 0.000 1.123 271 Y CA -0.683 57.154 58.100 -0.437 0.000 1.218 271 Y CB 0.225 38.567 38.460 -0.197 0.000 1.207 271 Y HN 0.438 nan 8.280 nan 0.000 0.495 272 F N 1.669 121.391 119.950 -0.379 0.000 2.397 272 F HA 0.264 4.790 4.527 -0.001 0.000 0.331 272 F C 0.462 176.130 175.800 -0.220 0.000 1.090 272 F CA -0.662 57.074 58.000 -0.440 0.000 1.065 272 F CB 1.163 39.881 39.000 -0.469 0.000 1.184 272 F HN 0.385 nan 8.300 nan 0.000 0.499 273 D N 1.654 122.083 120.400 0.049 0.000 2.739 273 D HA 0.129 4.768 4.640 -0.001 0.000 0.335 273 D C -0.677 175.656 176.300 0.054 0.000 1.216 273 D CA -0.044 53.973 54.000 0.027 0.000 0.808 273 D CB 0.283 41.089 40.800 0.010 0.000 1.121 273 D HN 0.567 nan 8.370 nan 0.000 0.499 274 T N -1.378 113.210 114.554 0.056 0.000 2.942 274 T HA 0.515 4.864 4.350 -0.001 0.000 0.289 274 T C 0.307 175.052 174.700 0.074 0.000 1.044 274 T CA -0.952 61.196 62.100 0.080 0.000 1.023 274 T CB 1.583 70.513 68.868 0.104 0.000 1.123 274 T HN -0.080 nan 8.240 nan 0.000 0.512 275 N N 2.508 121.274 118.700 0.109 0.000 2.530 275 N HA 0.363 5.102 4.740 -0.001 0.000 0.277 275 N C -2.347 173.274 175.510 0.184 0.000 1.168 275 N CA -1.197 51.907 53.050 0.090 0.000 0.979 275 N CB 0.775 39.278 38.487 0.026 0.000 1.141 275 N HN 0.511 nan 8.380 nan 0.000 0.459 276 P HA 0.079 nan 4.420 nan 0.000 0.272 276 P C -0.463 176.978 177.300 0.235 0.000 1.254 276 P CA -0.183 63.055 63.100 0.230 0.000 0.795 276 P CB 0.665 32.454 31.700 0.148 0.000 1.022 277 V N 0.762 120.850 119.914 0.292 0.000 2.638 277 V HA 0.250 4.369 4.120 -0.001 0.000 0.306 277 V C 0.143 176.303 176.094 0.109 0.000 1.052 277 V CA -0.733 61.645 62.300 0.131 0.000 0.885 277 V CB 1.801 33.662 31.823 0.064 0.000 0.999 277 V HN 0.383 nan 8.190 nan 0.000 0.424 278 K N 5.061 125.499 120.400 0.065 0.000 2.276 278 K HA 0.460 4.780 4.320 -0.001 0.000 0.285 278 K C -0.030 176.598 176.600 0.047 0.000 1.062 278 K CA -0.354 55.963 56.287 0.050 0.000 0.918 278 K CB 1.482 34.008 32.500 0.043 0.000 1.055 278 K HN 0.538 nan 8.250 nan 0.000 0.477 279 L N 2.667 123.902 121.223 0.019 0.000 2.715 279 L HA 0.079 4.418 4.340 -0.001 0.000 0.238 279 L C -0.029 176.859 176.870 0.031 0.000 1.212 279 L CA 0.196 55.032 54.840 -0.006 0.000 1.017 279 L CB -0.179 41.834 42.059 -0.078 0.000 1.269 279 L HN 0.555 nan 8.230 nan 0.000 0.452 280 T N -0.926 113.665 114.554 0.061 0.000 2.876 280 T HA 0.394 4.743 4.350 -0.001 0.000 0.289 280 T C -0.605 174.173 174.700 0.131 0.000 1.014 280 T CA -0.513 61.638 62.100 0.085 0.000 0.986 280 T CB 1.670 70.553 68.868 0.026 0.000 1.021 280 T HN 0.219 nan 8.240 nan 0.000 0.458 281 H N 0.342 119.462 119.070 0.083 0.000 2.529 281 H HA 0.721 5.276 4.556 -0.001 0.000 0.348 281 H C -0.444 174.978 175.328 0.156 0.000 1.152 281 H CA -0.772 55.331 56.048 0.093 0.000 1.202 281 H CB 1.186 30.990 29.762 0.069 0.000 1.562 281 H HN 0.668 nan 8.280 nan 0.000 0.515 282 T N -0.713 113.907 114.554 0.110 0.000 2.889 282 T HA 0.370 4.720 4.350 -0.001 0.000 0.278 282 T C 0.421 175.331 174.700 0.349 0.000 0.995 282 T CA -0.550 61.584 62.100 0.057 0.000 0.966 282 T CB 1.411 70.286 68.868 0.013 0.000 1.237 282 T HN 0.989 nan 8.240 nan 0.000 0.591 283 W N -1.658 119.753 121.300 0.184 0.000 0.576 283 W HA 0.209 4.868 4.660 -0.001 0.000 0.139 283 W C -0.832 175.788 176.519 0.168 0.000 0.615 283 W CA -0.562 56.934 57.345 0.251 0.000 0.448 283 W CB -0.593 29.033 29.460 0.277 0.000 0.697 283 W HN 0.520 nan 8.180 nan 0.000 0.346 284 Q N 3.262 122.887 119.800 -0.291 0.000 2.423 284 Q HA 0.230 4.570 4.340 -0.001 0.000 0.235 284 Q C 0.782 176.777 176.000 -0.008 0.000 1.100 284 Q CA 0.466 56.072 55.803 -0.327 0.000 0.908 284 Q CB 1.518 29.958 28.738 -0.497 0.000 1.312 284 Q HN -0.020 nan 8.270 nan 0.000 0.497 285 T N 0.759 115.387 114.554 0.124 0.000 4.339 285 T HA -0.024 4.325 4.350 -0.001 0.000 0.431 285 T C 1.054 175.798 174.700 0.074 0.000 1.117 285 T CA -0.140 62.039 62.100 0.131 0.000 1.020 285 T CB 0.286 69.255 68.868 0.169 0.000 1.522 285 T HN 0.521 nan 8.240 nan 0.000 0.494 286 N N -0.146 118.601 118.700 0.077 0.000 2.294 286 N HA 0.090 4.830 4.740 -0.001 0.000 0.186 286 N C 1.368 176.903 175.510 0.042 0.000 1.107 286 N CA 0.030 53.104 53.050 0.039 0.000 0.884 286 N CB 0.354 38.871 38.487 0.050 0.000 1.030 286 N HN 0.291 nan 8.380 nan 0.000 0.482 287 R N 0.774 121.320 120.500 0.077 0.000 2.356 287 R HA 0.167 4.506 4.340 -0.001 0.000 0.234 287 R C -0.106 176.259 176.300 0.110 0.000 0.929 287 R CA 0.273 56.425 56.100 0.086 0.000 1.084 287 R CB 0.313 30.671 30.300 0.097 0.000 1.105 287 R HN 0.248 nan 8.270 nan 0.000 0.515 288 Q N 0.845 120.709 119.800 0.107 0.000 3.007 288 Q HA 0.367 4.707 4.340 -0.001 0.000 0.321 288 Q C -1.190 174.851 176.000 0.068 0.000 0.784 288 Q CA -0.044 55.841 55.803 0.137 0.000 0.990 288 Q CB 1.273 30.163 28.738 0.253 0.000 1.493 288 Q HN 0.054 nan 8.270 nan 0.000 0.382 289 L N 0.442 121.703 121.223 0.064 0.000 2.666 289 L HA 0.749 5.088 4.340 -0.001 0.000 0.258 289 L C -0.005 176.900 176.870 0.058 0.000 0.991 289 L CA -0.667 54.212 54.840 0.064 0.000 0.916 289 L CB 1.426 43.380 42.059 -0.174 0.000 1.199 289 L HN 0.468 nan 8.230 nan 0.000 0.439 290 G N 1.950 110.900 108.800 0.250 0.000 2.316 290 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.349 290 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.349 290 G C -1.465 173.524 174.900 0.148 0.000 1.274 290 G CA -0.815 44.414 45.100 0.215 0.000 1.018 290 G HN 0.418 nan 8.290 nan 0.000 0.486 291 Q N 1.521 121.390 119.800 0.114 0.000 2.307 291 Q HA 0.535 4.874 4.340 -0.001 0.000 0.261 291 Q C -1.750 174.298 176.000 0.081 0.000 1.051 291 Q CA -1.074 54.783 55.803 0.089 0.000 0.911 291 Q CB 0.668 29.451 28.738 0.076 0.000 1.227 291 Q HN 0.477 nan 8.270 nan 0.000 0.418 292 P HA 0.111 nan 4.420 nan 0.000 0.269 292 P C -2.510 174.828 177.300 0.064 0.000 1.217 292 P CA -0.977 62.169 63.100 0.076 0.000 0.783 292 P CB -0.374 31.374 31.700 0.081 0.000 0.898 293 P HA 0.052 nan 4.420 nan 0.000 0.269 293 P C -0.146 177.176 177.300 0.036 0.000 1.217 293 P CA 0.030 63.157 63.100 0.045 0.000 0.783 293 P CB 0.414 32.135 31.700 0.036 0.000 0.898 294 L N 2.608 123.851 121.223 0.033 0.000 2.361 294 L HA 0.188 4.527 4.340 -0.001 0.000 0.278 294 L C 0.144 176.990 176.870 -0.039 0.000 1.113 294 L CA -0.391 54.463 54.840 0.024 0.000 0.849 294 L CB -0.058 42.027 42.059 0.043 0.000 1.155 294 L HN 0.269 nan 8.230 nan 0.000 0.452 295 L N 4.757 125.926 121.223 -0.090 0.000 2.283 295 L HA 0.099 4.438 4.340 -0.001 0.000 0.287 295 L C 1.330 177.902 176.870 -0.497 0.000 1.073 295 L CA -0.128 54.515 54.840 -0.330 0.000 0.822 295 L CB 1.452 43.240 42.059 -0.452 0.000 1.186 295 L HN 0.752 nan 8.230 nan 0.000 0.436 296 S N 0.389 115.869 115.700 -0.366 0.000 2.503 296 S HA 0.069 4.538 4.470 -0.001 0.000 0.217 296 S C 0.684 175.088 174.600 -0.328 0.000 0.999 296 S CA -0.122 57.931 58.200 -0.245 0.000 0.914 296 S CB 0.277 63.413 63.200 -0.107 0.000 0.782 296 S HN 0.573 nan 8.310 nan 0.000 0.520 297 T N 2.150 116.400 114.554 -0.507 0.000 2.928 297 T HA 0.638 4.987 4.350 -0.001 0.000 0.296 297 T C -1.401 172.980 174.700 -0.532 0.000 1.000 297 T CA -0.458 61.426 62.100 -0.360 0.000 0.989 297 T CB 1.051 69.824 68.868 -0.158 0.000 1.005 297 T HN 0.196 nan 8.240 nan 0.000 0.442 298 F N 2.839 122.792 119.950 0.004 0.000 2.492 298 F HA 0.588 5.114 4.527 -0.001 0.000 0.327 298 F C -1.857 173.942 175.800 -0.001 0.000 1.079 298 F CA -2.516 55.484 58.000 0.002 0.000 0.967 298 F CB 0.639 39.639 39.000 0.000 0.000 1.169 298 F HN 0.311 nan 8.300 nan 0.000 0.472 299 P HA 0.082 nan 4.420 nan 0.000 0.271 299 P C -0.284 177.072 177.300 0.093 0.000 1.238 299 P CA -0.005 63.152 63.100 0.095 0.000 0.794 299 P CB 0.793 32.534 31.700 0.069 0.000 0.959 300 E N -0.777 119.456 120.200 0.055 0.000 2.562 300 E HA 0.457 4.806 4.350 -0.001 0.000 0.214 300 E C -0.370 176.243 176.600 0.022 0.000 0.979 300 E CA -0.149 56.275 56.400 0.039 0.000 1.002 300 E CB 0.617 30.337 29.700 0.033 0.000 1.048 300 E HN 0.547 nan 8.360 nan 0.000 0.488 301 A N 1.775 124.607 122.820 0.021 0.000 2.015 301 A HA 0.093 4.412 4.320 -0.001 0.000 0.261 301 A C -1.661 175.928 177.584 0.010 0.000 0.944 301 A CA -1.137 50.906 52.037 0.011 0.000 0.744 301 A CB 0.037 19.041 19.000 0.007 0.000 0.796 301 A HN 0.072 nan 8.150 nan 0.000 0.335 302 D N 2.695 123.098 120.400 0.005 0.000 4.262 302 D HA 0.268 4.907 4.640 -0.001 0.000 0.186 302 D C 0.949 177.250 176.300 0.002 0.000 1.090 302 D CA 2.924 56.926 54.000 0.003 0.000 0.711 302 D CB -0.264 40.534 40.800 -0.002 0.000 1.194 302 D HN 2.124 nan 8.370 nan 0.000 0.627 303 T N 0.359 114.915 114.554 0.003 0.000 4.076 303 T HA 0.013 4.362 4.350 -0.001 0.000 0.366 303 T C -1.403 173.300 174.700 0.004 0.000 0.758 303 T CA -0.136 61.965 62.100 0.001 0.000 2.025 303 T CB -1.811 67.056 68.868 -0.001 0.000 1.824 303 T HN 0.786 nan 8.240 nan 0.000 0.913 304 D N -0.823 119.580 120.400 0.006 0.000 3.102 304 D HA 0.477 5.117 4.640 -0.001 0.000 0.130 304 D C 0.202 176.510 176.300 0.014 0.000 0.974 304 D CA 0.010 54.015 54.000 0.009 0.000 1.775 304 D CB -0.496 40.312 40.800 0.013 0.000 1.204 304 D HN 1.096 nan 8.370 nan 0.000 0.835 305 A N 0.851 123.675 122.820 0.006 0.000 2.327 305 A HA 0.795 5.114 4.320 -0.001 0.000 0.255 305 A C 1.102 178.682 177.584 -0.006 0.000 1.099 305 A CA 0.189 52.229 52.037 0.005 0.000 0.801 305 A CB 0.290 19.288 19.000 -0.003 0.000 1.062 305 A HN 0.690 nan 8.150 nan 0.000 0.496 306 G N -1.228 107.559 108.800 -0.021 0.000 2.547 306 G HA2 0.552 4.511 3.960 -0.001 0.000 0.291 306 G HA3 0.552 4.511 3.960 -0.001 0.000 0.291 306 G C -0.158 174.695 174.900 -0.078 0.000 1.211 306 G CA 0.363 45.417 45.100 -0.076 0.000 0.950 306 G HN 1.479 nan 8.290 nan 0.000 0.504 307 T N -1.705 112.781 114.554 -0.114 0.000 2.952 307 T HA 0.601 4.950 4.350 -0.001 0.000 0.305 307 T C 0.116 174.754 174.700 -0.102 0.000 1.064 307 T CA -0.796 61.254 62.100 -0.084 0.000 1.008 307 T CB 1.193 70.023 68.868 -0.063 0.000 1.078 307 T HN 0.346 nan 8.240 nan 0.000 0.459 308 L N 1.979 123.163 121.223 -0.066 0.000 2.682 308 L HA 0.614 4.953 4.340 -0.001 0.000 0.209 308 L C 1.008 177.855 176.870 -0.039 0.000 1.195 308 L CA -1.100 53.709 54.840 -0.052 0.000 0.869 308 L CB 0.201 42.249 42.059 -0.019 0.000 1.599 308 L HN 0.951 nan 8.230 nan 0.000 0.518 309 T N -2.260 112.282 114.554 -0.019 0.000 2.885 309 T HA 0.617 4.966 4.350 -0.001 0.000 0.285 309 T C -0.159 174.537 174.700 -0.006 0.000 1.019 309 T CA -0.745 61.346 62.100 -0.015 0.000 1.010 309 T CB 1.623 70.486 68.868 -0.008 0.000 1.022 309 T HN 0.742 nan 8.240 nan 0.000 0.466 310 A N 2.644 125.457 122.820 -0.011 0.000 2.468 310 A HA -0.125 4.194 4.320 -0.001 0.000 0.295 310 A C 1.604 179.198 177.584 0.016 0.000 0.906 310 A CA 0.527 52.560 52.037 -0.008 0.000 1.156 310 A CB -0.764 18.227 19.000 -0.015 0.000 0.738 310 A HN 0.944 nan 8.150 nan 0.000 0.393 311 Q N 2.912 122.738 119.800 0.042 0.000 1.998 311 Q HA -0.227 4.112 4.340 -0.001 0.000 0.209 311 Q C 1.834 177.941 176.000 0.178 0.000 1.002 311 Q CA 1.823 57.704 55.803 0.130 0.000 0.858 311 Q CB -0.239 28.596 28.738 0.161 0.000 0.932 311 Q HN 1.014 nan 8.270 nan 0.000 0.416 312 G N -0.463 108.443 108.800 0.177 0.000 3.374 312 G HA2 0.081 4.041 3.960 -0.001 0.000 0.252 312 G HA3 0.081 4.041 3.960 -0.001 0.000 0.252 312 G C 0.558 175.494 174.900 0.059 0.000 1.326 312 G CA 0.217 45.429 45.100 0.188 0.000 1.133 312 G HN 0.194 nan 8.290 nan 0.000 0.528 313 S N -1.247 114.456 115.700 0.005 0.000 2.800 313 S HA 0.237 4.707 4.470 -0.001 0.000 0.266 313 S C 0.836 175.327 174.600 -0.182 0.000 1.029 313 S CA -0.560 57.594 58.200 -0.077 0.000 1.302 313 S CB 0.217 63.386 63.200 -0.051 0.000 1.212 313 S HN 0.384 nan 8.310 nan 0.000 0.683 314 R N 1.678 122.115 120.500 -0.105 0.000 2.340 314 R HA 0.370 4.709 4.340 -0.001 0.000 0.300 314 R C -0.719 175.499 176.300 -0.137 0.000 1.069 314 R CA -0.150 55.889 56.100 -0.101 0.000 0.984 314 R CB 0.360 30.666 30.300 0.010 0.000 1.003 314 R HN 0.432 nan 8.270 nan 0.000 0.459 315 H N 0.535 119.623 119.070 0.030 0.000 2.615 315 H HA 0.525 5.080 4.556 -0.001 0.000 0.363 315 H C 0.773 176.113 175.328 0.020 0.000 1.148 315 H CA 0.985 57.047 56.048 0.023 0.000 1.401 315 H CB 1.406 31.181 29.762 0.021 0.000 1.461 315 H HN 0.846 nan 8.280 nan 0.000 0.588 316 G N -0.775 108.104 108.800 0.132 0.000 2.369 316 G HA2 0.423 4.382 3.960 -0.001 0.000 0.295 316 G HA3 0.423 4.382 3.960 -0.001 0.000 0.295 316 G C -1.613 173.308 174.900 0.034 0.000 1.298 316 G CA -0.409 44.733 45.100 0.070 0.000 0.940 316 G HN 0.780 nan 8.290 nan 0.000 0.536 317 A N -1.226 121.602 122.820 0.013 0.000 2.313 317 A HA 1.048 5.367 4.320 -0.001 0.000 0.323 317 A C 0.102 177.666 177.584 -0.034 0.000 1.133 317 A CA 0.231 52.263 52.037 -0.009 0.000 0.847 317 A CB 1.897 20.894 19.000 -0.005 0.000 1.308 317 A HN 1.798 nan 8.150 nan 0.000 0.475 318 T N -0.366 114.157 114.554 -0.052 0.000 2.827 318 T HA 0.282 4.632 4.350 -0.001 0.000 0.328 318 T C -0.252 174.405 174.700 -0.073 0.000 1.598 318 T CA -0.462 61.591 62.100 -0.079 0.000 1.043 318 T CB 1.557 70.341 68.868 -0.140 0.000 1.447 318 T HN 0.632 nan 8.240 nan 0.000 0.491 319 Q N 0.493 120.249 119.800 -0.073 0.000 2.198 319 Q HA 0.449 4.789 4.340 -0.001 0.000 0.209 319 Q C -0.420 175.537 176.000 -0.072 0.000 0.848 319 Q CA -0.013 55.755 55.803 -0.058 0.000 0.974 319 Q CB 0.306 29.021 28.738 -0.039 0.000 1.115 319 Q HN 0.510 nan 8.270 nan 0.000 0.494 320 M N 0.032 119.566 119.600 -0.111 0.000 2.436 320 M HA 0.170 4.649 4.480 -0.001 0.000 0.331 320 M C 0.185 176.398 176.300 -0.144 0.000 1.135 320 M CA -0.115 55.106 55.300 -0.132 0.000 0.987 320 M CB 1.744 34.228 32.600 -0.193 0.000 1.687 320 M HN -0.049 nan 8.290 nan 0.000 0.445 321 E N 1.698 121.834 120.200 -0.106 0.000 2.485 321 E HA 0.081 4.431 4.350 -0.001 0.000 0.194 321 E C -0.603 175.941 176.600 -0.093 0.000 1.098 321 E CA -0.113 56.239 56.400 -0.080 0.000 0.878 321 E CB 0.305 29.980 29.700 -0.043 0.000 0.939 321 E HN 0.481 nan 8.360 nan 0.000 0.503 322 V N 0.905 120.707 119.914 -0.186 0.000 3.403 322 V HA 0.103 4.223 4.120 -0.001 0.000 0.305 322 V C 0.085 176.039 176.094 -0.233 0.000 1.060 322 V CA -0.529 61.642 62.300 -0.215 0.000 1.053 322 V CB 1.344 32.852 31.823 -0.526 0.000 1.198 322 V HN 0.212 nan 8.190 nan 0.000 0.447 323 N N 2.430 121.079 118.700 -0.085 0.000 2.918 323 N HA 0.440 5.179 4.740 -0.001 0.000 0.270 323 N C -1.316 174.358 175.510 0.272 0.000 1.536 323 N CA -0.357 52.731 53.050 0.063 0.000 0.877 323 N CB 0.475 39.053 38.487 0.152 0.000 1.190 323 N HN 0.754 nan 8.380 nan 0.000 0.492 324 W N -0.901 120.395 121.300 -0.006 0.000 4.604 324 W HA 0.127 4.787 4.660 -0.001 0.000 0.250 324 W C -2.138 174.383 176.519 0.003 0.000 1.339 324 W CA -0.878 56.462 57.345 -0.008 0.000 1.514 324 W CB -1.038 28.419 29.460 -0.005 0.000 0.977 324 W HN -0.263 nan 8.180 nan 0.000 0.458 325 V N 3.503 123.458 119.914 0.068 0.000 2.555 325 V HA 0.456 4.575 4.120 -0.001 0.000 0.286 325 V C 0.560 176.732 176.094 0.129 0.000 1.044 325 V CA 0.557 62.860 62.300 0.004 0.000 1.026 325 V CB 1.196 33.026 31.823 0.011 0.000 0.981 325 V HN 0.497 nan 8.190 nan 0.000 0.480 326 S N 2.508 118.263 115.700 0.092 0.000 2.715 326 S HA 0.417 4.886 4.470 -0.001 0.000 0.307 326 S C 0.587 175.241 174.600 0.090 0.000 1.119 326 S CA -0.706 57.590 58.200 0.159 0.000 0.937 326 S CB 1.787 65.144 63.200 0.262 0.000 1.150 326 S HN 0.753 nan 8.310 nan 0.000 0.521 327 E N 0.583 120.841 120.200 0.097 0.000 2.502 327 E HA 0.166 4.516 4.350 -0.001 0.000 0.194 327 E C 1.104 177.750 176.600 0.076 0.000 1.062 327 E CA 0.166 56.612 56.400 0.075 0.000 0.867 327 E CB 0.088 29.832 29.700 0.073 0.000 0.888 327 E HN 0.573 nan 8.360 nan 0.000 0.510 328 A N -0.399 122.475 122.820 0.089 0.000 2.074 328 A HA 0.213 4.532 4.320 -0.001 0.000 0.200 328 A C 1.968 179.595 177.584 0.072 0.000 1.335 328 A CA -0.150 51.946 52.037 0.097 0.000 0.922 328 A CB 0.157 19.240 19.000 0.138 0.000 0.972 328 A HN 0.094 nan 8.150 nan 0.000 0.475 329 I N -0.301 120.291 120.570 0.038 0.000 2.296 329 I HA 0.002 4.171 4.170 -0.001 0.000 0.242 329 I C 1.406 177.499 176.117 -0.040 0.000 1.087 329 I CA 0.151 61.428 61.300 -0.038 0.000 1.393 329 I CB -0.234 37.669 38.000 -0.163 0.000 1.093 329 I HN 0.253 nan 8.210 nan 0.000 0.421 330 R N 2.579 123.063 120.500 -0.026 0.000 2.474 330 R HA -0.114 4.226 4.340 -0.001 0.000 0.275 330 R C -0.085 176.204 176.300 -0.018 0.000 0.945 330 R CA 0.585 56.673 56.100 -0.019 0.000 1.115 330 R CB 0.200 30.504 30.300 0.006 0.000 0.874 330 R HN 0.294 nan 8.270 nan 0.000 0.421 331 T N 3.480 118.018 114.554 -0.026 0.000 2.779 331 T HA 0.311 4.661 4.350 -0.001 0.000 0.296 331 T C -0.019 174.655 174.700 -0.043 0.000 0.938 331 T CA -0.877 61.204 62.100 -0.030 0.000 1.119 331 T CB 0.823 69.673 68.868 -0.029 0.000 0.891 331 T HN 0.449 nan 8.240 nan 0.000 0.526 332 R N 3.150 123.616 120.500 -0.056 0.000 2.797 332 R HA 0.456 4.795 4.340 -0.001 0.000 0.251 332 R C -1.605 174.622 176.300 -0.123 0.000 1.107 332 R CA -2.407 53.630 56.100 -0.105 0.000 1.084 332 R CB -0.749 29.489 30.300 -0.103 0.000 1.205 332 R HN 0.380 nan 8.270 nan 0.000 0.515 333 P HA 0.010 nan 4.420 nan 0.000 0.215 333 P C -0.221 177.017 177.300 -0.104 0.000 1.157 333 P CA 1.314 64.300 63.100 -0.189 0.000 0.863 333 P CB 0.324 31.802 31.700 -0.371 0.000 0.787 334 A N -1.871 120.893 122.820 -0.094 0.000 2.593 334 A HA 0.488 4.808 4.320 -0.001 0.000 0.304 334 A C -1.398 176.186 177.584 -0.001 0.000 1.233 334 A CA -0.483 51.533 52.037 -0.034 0.000 0.661 334 A CB 0.388 19.378 19.000 -0.016 0.000 1.338 334 A HN -0.093 nan 8.150 nan 0.000 0.495 335 Q N 0.992 120.815 119.800 0.040 0.000 2.509 335 Q HA 0.502 4.842 4.340 -0.001 0.000 0.236 335 Q C -1.314 174.764 176.000 0.131 0.000 1.073 335 Q CA -0.424 55.428 55.803 0.083 0.000 0.867 335 Q CB 0.896 29.692 28.738 0.095 0.000 1.181 335 Q HN 0.539 nan 8.270 nan 0.000 0.526 336 V N 3.643 123.627 119.914 0.118 0.000 2.493 336 V HA 0.204 4.323 4.120 -0.001 0.000 0.292 336 V C 0.937 177.152 176.094 0.202 0.000 1.016 336 V CA 0.903 63.294 62.300 0.152 0.000 1.097 336 V CB -0.198 31.697 31.823 0.120 0.000 0.947 336 V HN 0.979 nan 8.190 nan 0.000 0.479 337 G N 4.851 113.817 108.800 0.277 0.000 2.955 337 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.604 337 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.604 337 G C -0.842 174.264 174.900 0.343 0.000 1.572 337 G CA 0.136 45.420 45.100 0.307 0.000 1.016 337 G HN 1.799 nan 8.290 nan 0.000 0.569 338 F N -1.390 118.583 119.950 0.039 0.000 2.588 338 F HA 0.695 5.221 4.527 -0.001 0.000 0.314 338 F C -0.004 175.783 175.800 -0.021 0.000 1.069 338 F CA -2.413 55.599 58.000 0.020 0.000 0.931 338 F CB 0.930 39.959 39.000 0.049 0.000 1.260 338 F HN 0.644 nan 8.300 nan 0.000 0.465 339 C N 3.885 123.046 119.300 -0.230 0.000 2.252 339 C HA 0.379 4.838 4.460 -0.001 0.000 0.342 339 C C -0.107 174.612 174.990 -0.451 0.000 1.110 339 C CA -0.522 58.328 59.018 -0.280 0.000 1.581 339 C CB -1.453 26.295 27.740 0.013 0.000 2.087 339 C HN 0.719 nan 8.230 nan 0.000 0.500 340 Q N 3.595 122.992 119.800 -0.671 0.000 2.235 340 Q HA 0.352 4.692 4.340 -0.001 0.000 0.250 340 Q C -2.582 173.344 176.000 -0.122 0.000 0.909 340 Q CA -1.842 53.665 55.803 -0.493 0.000 0.910 340 Q CB 0.511 28.865 28.738 -0.639 0.000 1.223 340 Q HN 0.411 nan 8.270 nan 0.000 0.432 341 P HA -0.055 nan 4.420 nan 0.000 0.265 341 P C -1.135 176.155 177.300 -0.016 0.000 1.222 341 P CA 0.200 63.283 63.100 -0.028 0.000 0.767 341 P CB 0.220 31.906 31.700 -0.024 0.000 0.801 342 H N 1.966 121.006 119.070 -0.051 0.000 2.489 342 H HA 0.350 4.905 4.556 -0.001 0.000 0.322 342 H C 0.257 175.597 175.328 0.021 0.000 1.091 342 H CA -0.724 55.301 56.048 -0.038 0.000 1.291 342 H CB 0.550 30.282 29.762 -0.051 0.000 1.436 342 H HN 0.320 nan 8.280 nan 0.000 0.480 343 N N 0.896 119.653 118.700 0.095 0.000 2.869 343 N HA -0.177 4.563 4.740 -0.001 0.000 0.249 343 N C 0.015 175.706 175.510 0.301 0.000 1.104 343 N CA 1.083 54.246 53.050 0.188 0.000 0.760 343 N CB -1.193 37.419 38.487 0.208 0.000 1.108 343 N HN 0.799 nan 8.380 nan 0.000 0.555 344 D N -1.005 119.446 120.400 0.085 0.000 1.913 344 D HA 0.332 4.971 4.640 -0.001 0.000 0.245 344 D C -0.096 176.346 176.300 0.237 0.000 1.191 344 D CA 1.040 55.094 54.000 0.091 0.000 0.941 344 D CB 0.119 40.896 40.800 -0.038 0.000 1.388 344 D HN 0.148 nan 8.370 nan 0.000 0.523 345 F N -0.881 119.003 119.950 -0.111 0.000 3.325 345 F HA 0.080 4.606 4.527 -0.001 0.000 0.294 345 F C -0.288 175.360 175.800 -0.254 0.000 0.881 345 F CA -0.625 57.281 58.000 -0.156 0.000 1.478 345 F CB 0.023 38.958 39.000 -0.108 0.000 1.667 345 F HN 0.156 nan 8.300 nan 0.000 0.858 346 E N 1.548 121.508 120.200 -0.400 0.000 2.504 346 E HA 0.919 5.268 4.350 -0.001 0.000 0.253 346 E C -0.392 175.774 176.600 -0.724 0.000 1.151 346 E CA -0.983 55.086 56.400 -0.553 0.000 0.972 346 E CB 1.897 31.203 29.700 -0.656 0.000 1.247 346 E HN 0.477 nan 8.360 nan 0.000 0.519 347 A N 0.017 122.527 122.820 -0.517 0.000 2.583 347 A HA 0.747 5.066 4.320 -0.001 0.000 0.289 347 A C -0.559 177.014 177.584 -0.019 0.000 1.151 347 A CA -0.246 51.637 52.037 -0.258 0.000 0.695 347 A CB 2.021 20.954 19.000 -0.110 0.000 1.290 347 A HN 0.435 nan 8.150 nan 0.000 0.419 348 S N -1.880 113.877 115.700 0.094 0.000 4.107 348 S HA 0.264 4.734 4.470 -0.001 0.000 0.275 348 S C 0.633 175.289 174.600 0.095 0.000 1.010 348 S CA -0.002 58.279 58.200 0.134 0.000 1.267 348 S CB -0.148 63.198 63.200 0.243 0.000 1.820 348 S HN 0.622 nan 8.310 nan 0.000 0.449 349 R N 0.932 121.486 120.500 0.091 0.000 2.057 349 R HA 0.251 4.590 4.340 -0.001 0.000 0.224 349 R C 1.807 178.147 176.300 0.066 0.000 1.136 349 R CA 1.201 57.339 56.100 0.063 0.000 0.968 349 R CB -0.770 29.556 30.300 0.043 0.000 0.863 349 R HN 0.482 nan 8.270 nan 0.000 0.433 350 A N 0.936 123.798 122.820 0.070 0.000 2.276 350 A HA 0.276 4.595 4.320 -0.001 0.000 0.212 350 A C 1.136 178.781 177.584 0.102 0.000 1.230 350 A CA 0.786 52.866 52.037 0.072 0.000 0.844 350 A CB -0.511 18.515 19.000 0.043 0.000 0.860 350 A HN 0.492 nan 8.150 nan 0.000 0.486 351 G N 0.253 109.125 108.800 0.119 0.000 2.622 351 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.307 351 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.307 351 G C -2.346 172.668 174.900 0.190 0.000 1.226 351 G CA 0.098 45.263 45.100 0.108 0.000 0.997 351 G HN 0.478 nan 8.290 nan 0.000 0.551 352 P HA 0.519 nan 4.420 nan 0.000 0.269 352 P C -0.457 177.021 177.300 0.297 0.000 1.209 352 P CA 0.761 63.919 63.100 0.096 0.000 0.776 352 P CB 0.134 31.892 31.700 0.097 0.000 0.876 353 F N -1.521 118.429 119.950 0.000 0.000 2.656 353 F HA 0.614 5.140 4.527 -0.001 0.000 0.326 353 F C -0.727 174.931 175.800 -0.237 0.000 1.109 353 F CA -1.734 56.207 58.000 -0.098 0.000 1.086 353 F CB -0.199 38.749 39.000 -0.086 0.000 1.324 353 F HN 0.425 nan 8.300 nan 0.000 0.511 354 A N 1.961 124.600 122.820 -0.301 0.000 2.577 354 A HA 0.531 4.850 4.320 -0.001 0.000 0.233 354 A C 0.265 177.783 177.584 -0.110 0.000 1.076 354 A CA 0.315 52.014 52.037 -0.563 0.000 0.767 354 A CB -0.335 18.339 19.000 -0.542 0.000 1.017 354 A HN 2.083 nan 8.150 nan 0.000 0.511 355 A N 2.959 125.691 122.820 -0.146 0.000 2.304 355 A HA 0.698 5.017 4.320 -0.001 0.000 0.314 355 A C -2.032 175.531 177.584 -0.036 0.000 1.187 355 A CA -1.528 50.513 52.037 0.006 0.000 0.810 355 A CB 0.118 19.119 19.000 0.001 0.000 1.183 355 A HN 0.728 nan 8.150 nan 0.000 0.487 356 P HA 0.356 nan 4.420 nan 0.000 0.273 356 P C -0.932 176.349 177.300 -0.032 0.000 1.258 356 P CA -0.045 63.032 63.100 -0.037 0.000 0.802 356 P CB 0.295 31.972 31.700 -0.039 0.000 1.040 357 K N -1.106 119.274 120.400 -0.033 0.000 2.469 357 K HA 0.505 4.824 4.320 -0.001 0.000 0.254 357 K C -0.958 175.630 176.600 -0.021 0.000 0.939 357 K CA -1.452 54.814 56.287 -0.035 0.000 0.812 357 K CB 0.660 33.130 32.500 -0.050 0.000 1.301 357 K HN 0.262 nan 8.250 nan 0.000 0.433 358 V N -0.832 119.072 119.914 -0.016 0.000 2.432 358 V HA 0.537 4.656 4.120 -0.001 0.000 0.275 358 V C -2.398 173.698 176.094 0.004 0.000 1.043 358 V CA -1.861 60.429 62.300 -0.016 0.000 0.925 358 V CB 0.540 32.302 31.823 -0.102 0.000 0.985 358 V HN 0.625 nan 8.190 nan 0.000 0.466 359 P HA 0.483 nan 4.420 nan 0.000 0.267 359 P C -0.437 176.900 177.300 0.061 0.000 1.200 359 P CA 0.374 63.512 63.100 0.062 0.000 0.772 359 P CB 0.802 32.572 31.700 0.117 0.000 0.855 360 A N 1.527 124.368 122.820 0.035 0.000 2.565 360 A HA 0.379 4.698 4.320 -0.001 0.000 0.298 360 A C -0.410 177.186 177.584 0.019 0.000 1.062 360 A CA -0.606 51.453 52.037 0.038 0.000 0.723 360 A CB 0.706 19.725 19.000 0.031 0.000 1.282 360 A HN 0.511 nan 8.150 nan 0.000 0.400 361 D N 0.260 120.681 120.400 0.036 0.000 2.274 361 D HA -0.064 4.576 4.640 -0.001 0.000 0.228 361 D C -0.046 176.281 176.300 0.045 0.000 1.370 361 D CA 0.974 55.017 54.000 0.072 0.000 0.889 361 D CB 0.544 41.499 40.800 0.258 0.000 1.272 361 D HN 0.558 nan 8.370 nan 0.000 0.553 362 V N 2.450 122.396 119.914 0.054 0.000 2.699 362 V HA 0.072 4.192 4.120 -0.001 0.000 0.311 362 V C -0.165 175.935 176.094 0.009 0.000 1.160 362 V CA 0.025 62.328 62.300 0.004 0.000 1.313 362 V CB -0.025 31.784 31.823 -0.023 0.000 1.553 362 V HN 0.793 nan 8.190 nan 0.000 0.630 363 T N 1.375 115.947 114.554 0.030 0.000 2.160 363 T HA -0.327 4.023 4.350 -0.001 0.000 0.375 363 T C 1.184 175.880 174.700 -0.006 0.000 0.928 363 T CA 1.276 63.387 62.100 0.018 0.000 1.874 363 T CB 0.039 68.906 68.868 -0.001 0.000 1.242 363 T HN 0.756 nan 8.240 nan 0.000 0.388 364 Q N 0.397 120.187 119.800 -0.016 0.000 2.615 364 Q HA 0.108 4.447 4.340 -0.001 0.000 0.220 364 Q C 1.951 177.932 176.000 -0.031 0.000 0.981 364 Q CA 1.073 56.857 55.803 -0.031 0.000 0.939 364 Q CB -0.204 28.512 28.738 -0.036 0.000 0.982 364 Q HN 0.853 nan 8.270 nan 0.000 0.550 365 G N -0.728 108.053 108.800 -0.032 0.000 3.079 365 G HA2 0.205 4.164 3.960 -0.001 0.000 0.233 365 G HA3 0.205 4.164 3.960 -0.001 0.000 0.233 365 G C 0.124 174.999 174.900 -0.042 0.000 1.062 365 G CA -0.474 44.603 45.100 -0.038 0.000 0.809 365 G HN 0.265 nan 8.290 nan 0.000 0.535 366 M N 1.144 120.721 119.600 -0.039 0.000 3.241 366 M HA -0.174 4.305 4.480 -0.001 0.000 0.169 366 M C -0.189 176.078 176.300 -0.055 0.000 1.333 366 M CA 0.418 55.693 55.300 -0.042 0.000 0.838 366 M CB -1.088 31.488 32.600 -0.039 0.000 1.258 366 M HN 0.081 nan 8.290 nan 0.000 0.656 367 D N 0.776 121.132 120.400 -0.075 0.000 2.378 367 D HA 0.017 4.656 4.640 -0.001 0.000 0.227 367 D C 1.462 177.702 176.300 -0.099 0.000 1.012 367 D CA 0.335 54.267 54.000 -0.114 0.000 0.905 367 D CB 0.079 40.773 40.800 -0.178 0.000 0.895 367 D HN 0.446 nan 8.370 nan 0.000 0.532 368 R N 0.012 120.471 120.500 -0.069 0.000 2.825 368 R HA -0.340 3.999 4.340 -0.001 0.000 0.138 368 R C 0.915 177.190 176.300 -0.043 0.000 0.548 368 R CA 1.679 57.749 56.100 -0.051 0.000 0.641 368 R CB -0.312 29.963 30.300 -0.042 0.000 0.503 368 R HN 0.459 nan 8.270 nan 0.000 0.450 369 E N -2.091 118.078 120.200 -0.051 0.000 2.389 369 E HA 0.086 4.436 4.350 -0.001 0.000 0.199 369 E C 1.550 178.128 176.600 -0.036 0.000 0.978 369 E CA 0.460 56.848 56.400 -0.019 0.000 0.912 369 E CB 0.338 30.051 29.700 0.021 0.000 0.907 369 E HN 0.397 nan 8.360 nan 0.000 0.494 370 A N 2.200 124.935 122.820 -0.142 0.000 1.858 370 A HA -0.058 4.262 4.320 -0.001 0.000 0.215 370 A C 1.319 178.818 177.584 -0.142 0.000 1.320 370 A CA 0.401 52.300 52.037 -0.230 0.000 0.601 370 A CB -0.631 18.035 19.000 -0.556 0.000 0.976 370 A HN 0.102 nan 8.150 nan 0.000 0.470 371 N N 1.810 120.421 118.700 -0.149 0.000 2.962 371 N HA -0.047 4.692 4.740 -0.001 0.000 0.287 371 N C 0.789 176.267 175.510 -0.053 0.000 1.467 371 N CA 0.886 53.879 53.050 -0.094 0.000 1.061 371 N CB -1.114 37.336 38.487 -0.063 0.000 1.416 371 N HN 0.626 nan 8.380 nan 0.000 0.576 372 G N 0.888 109.654 108.800 -0.057 0.000 1.969 372 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.238 372 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.238 372 G C 0.403 175.308 174.900 0.009 0.000 0.690 372 G CA 0.523 45.608 45.100 -0.025 0.000 0.979 372 G HN 0.361 nan 8.290 nan 0.000 0.375 373 S N -0.128 115.579 115.700 0.012 0.000 2.549 373 S HA 0.406 4.875 4.470 -0.001 0.000 0.279 373 S C 1.248 175.894 174.600 0.076 0.000 1.321 373 S CA -0.622 57.611 58.200 0.055 0.000 1.054 373 S CB 1.001 64.210 63.200 0.015 0.000 0.899 373 S HN 0.369 nan 8.310 nan 0.000 0.497 374 V N 4.039 124.011 119.914 0.097 0.000 4.057 374 V HA 0.600 4.719 4.120 -0.001 0.000 0.264 374 V C 0.309 176.421 176.094 0.031 0.000 0.923 374 V CA -0.143 62.182 62.300 0.041 0.000 0.799 374 V CB 0.536 32.398 31.823 0.066 0.000 1.166 374 V HN 0.980 nan 8.190 nan 0.000 0.375 375 R N -1.066 119.346 120.500 -0.147 0.000 4.287 375 R HA 0.304 4.644 4.340 -0.001 0.000 0.240 375 R C -2.374 173.791 176.300 -0.226 0.000 1.008 375 R CA -0.374 55.703 56.100 -0.040 0.000 1.248 375 R CB -0.172 30.115 30.300 -0.022 0.000 1.227 375 R HN 0.481 nan 8.270 nan 0.000 0.590 376 Y N 1.344 121.732 120.300 0.148 0.000 2.562 376 Y HA 0.766 5.316 4.550 -0.001 0.000 0.343 376 Y C -0.244 175.709 175.900 0.087 0.000 1.025 376 Y CA -0.774 57.426 58.100 0.168 0.000 1.082 376 Y CB 3.133 41.773 38.460 0.300 0.000 1.264 376 Y HN 0.552 nan 8.280 nan 0.000 0.478 377 S N 1.627 117.451 115.700 0.207 0.000 2.680 377 S HA 0.435 4.905 4.470 -0.001 0.000 0.262 377 S C -1.740 172.854 174.600 -0.011 0.000 1.138 377 S CA -0.879 57.283 58.200 -0.064 0.000 1.072 377 S CB 0.066 63.240 63.200 -0.044 0.000 1.097 377 S HN 0.544 nan 8.310 nan 0.000 0.468 378 Y N -0.132 120.191 120.300 0.038 0.000 2.598 378 Y HA 0.978 5.527 4.550 -0.001 0.000 0.340 378 Y C 0.307 176.210 175.900 0.006 0.000 1.038 378 Y CA -1.425 56.666 58.100 -0.016 0.000 1.100 378 Y CB 0.730 39.164 38.460 -0.044 0.000 1.281 378 Y HN 0.588 nan 8.280 nan 0.000 0.488 379 G N 0.779 109.699 108.800 0.199 0.000 2.448 379 G HA2 0.404 4.364 3.960 -0.001 0.000 0.324 379 G HA3 0.404 4.364 3.960 -0.001 0.000 0.324 379 G C -0.291 174.728 174.900 0.199 0.000 1.203 379 G CA -1.210 43.981 45.100 0.152 0.000 0.954 379 G HN 0.757 nan 8.290 nan 0.000 0.480 380 K N 0.068 120.568 120.400 0.168 0.000 2.528 380 K HA -0.365 3.954 4.320 -0.001 0.000 0.204 380 K C 1.982 178.668 176.600 0.142 0.000 0.852 380 K CA 2.465 58.892 56.287 0.235 0.000 0.955 380 K CB -0.178 32.467 32.500 0.242 0.000 1.245 380 K HN 0.595 nan 8.250 nan 0.000 0.546 381 Q N 0.111 119.921 119.800 0.016 0.000 2.486 381 Q HA -0.125 4.215 4.340 -0.001 0.000 0.211 381 Q C -0.492 174.762 176.000 -1.243 0.000 0.949 381 Q CA 0.598 56.171 55.803 -0.383 0.000 0.998 381 Q CB -0.109 28.409 28.738 -0.367 0.000 1.004 381 Q HN 0.487 nan 8.270 nan 0.000 0.531 382 H N -3.283 115.537 119.070 -0.416 0.000 3.826 382 H HA 0.174 4.729 4.556 -0.001 0.000 0.280 382 H C 0.284 175.271 175.328 -0.569 0.000 1.107 382 H CA 0.242 55.739 56.048 -0.917 0.000 1.112 382 H CB 0.122 29.434 29.762 -0.750 0.000 3.385 382 H HN 0.334 nan 8.280 nan 0.000 0.786 383 G N 1.059 109.776 108.800 -0.138 0.000 2.233 383 G HA2 0.009 3.968 3.960 -0.001 0.000 0.162 383 G HA3 0.009 3.968 3.960 -0.001 0.000 0.162 383 G C -1.343 173.676 174.900 0.199 0.000 1.327 383 G CA -0.287 44.831 45.100 0.030 0.000 1.187 383 G HN 0.138 nan 8.290 nan 0.000 0.479 384 E N -0.880 119.490 120.200 0.284 0.000 8.367 384 E HA -0.162 4.187 4.350 -0.001 0.000 0.467 384 E C -0.580 176.097 176.600 0.130 0.000 0.968 384 E CA 0.563 57.062 56.400 0.165 0.000 1.684 384 E CB -0.241 29.541 29.700 0.136 0.000 0.997 384 E HN 0.543 nan 8.360 nan 0.000 0.275 385 N N 1.596 120.337 118.700 0.067 0.000 3.117 385 N HA -0.074 4.665 4.740 -0.001 0.000 0.323 385 N C 0.422 175.997 175.510 0.107 0.000 1.245 385 N CA 0.270 53.353 53.050 0.054 0.000 1.191 385 N CB -0.557 37.922 38.487 -0.013 0.000 1.451 385 N HN 0.398 nan 8.380 nan 0.000 0.555 386 W N 0.994 122.245 121.300 -0.081 0.000 4.836 386 W HA -0.312 4.347 4.660 -0.001 0.000 0.364 386 W C 0.502 176.960 176.519 -0.101 0.000 1.104 386 W CA 0.863 58.143 57.345 -0.109 0.000 1.117 386 W CB -0.831 28.526 29.460 -0.171 0.000 1.292 386 W HN 0.393 nan 8.180 nan 0.000 0.973 387 A N -1.654 121.155 122.820 -0.018 0.000 2.639 387 A HA 0.647 4.967 4.320 -0.001 0.000 0.221 387 A C 0.318 177.798 177.584 -0.174 0.000 0.879 387 A CA 0.106 52.083 52.037 -0.100 0.000 1.189 387 A CB -0.739 18.233 19.000 -0.046 0.000 1.231 387 A HN 0.333 nan 8.150 nan 0.000 0.457 388 A N 0.135 122.818 122.820 -0.228 0.000 2.298 388 A HA 0.897 5.216 4.320 -0.001 0.000 0.302 388 A C -0.019 177.290 177.584 -0.458 0.000 1.177 388 A CA -0.243 51.495 52.037 -0.497 0.000 0.912 388 A CB 0.391 19.224 19.000 -0.277 0.000 1.331 388 A HN 0.826 nan 8.150 nan 0.000 0.504 389 H N -2.316 116.744 119.070 -0.017 0.000 2.931 389 H HA 0.698 5.254 4.556 -0.001 0.000 0.331 389 H C 0.120 175.438 175.328 -0.016 0.000 1.273 389 H CA -0.741 55.294 56.048 -0.022 0.000 1.171 389 H CB 0.485 30.234 29.762 -0.022 0.000 1.898 389 H HN 1.729 nan 8.280 nan 0.000 0.562 390 G N 0.911 109.788 108.800 0.128 0.000 3.277 390 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.684 390 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.684 390 G C -2.423 172.493 174.900 0.026 0.000 0.923 390 G CA -0.799 44.339 45.100 0.063 0.000 0.779 390 G HN 0.646 nan 8.290 nan 0.000 0.508 391 P HA 0.353 nan 4.420 nan 0.000 0.238 391 P C 0.287 177.586 177.300 -0.001 0.000 1.649 391 P CA 1.142 64.245 63.100 0.004 0.000 0.960 391 P CB -0.131 31.571 31.700 0.003 0.000 1.911 392 A N 2.185 125.002 122.820 -0.005 0.000 2.267 392 A HA 0.616 4.935 4.320 -0.001 0.000 0.315 392 A C -2.085 175.477 177.584 -0.037 0.000 1.297 392 A CA -1.659 50.369 52.037 -0.015 0.000 0.865 392 A CB 0.471 19.466 19.000 -0.008 0.000 1.165 392 A HN 0.104 nan 8.150 nan 0.000 0.513 393 P HA 0.289 nan 4.420 nan 0.000 0.280 393 P C -0.338 176.876 177.300 -0.143 0.000 1.278 393 P CA -0.103 62.941 63.100 -0.093 0.000 0.787 393 P CB 0.514 32.163 31.700 -0.086 0.000 1.163 394 E N -0.737 119.289 120.200 -0.289 0.000 2.335 394 E HA 0.379 4.728 4.350 -0.001 0.000 0.280 394 E C -0.807 175.336 176.600 -0.761 0.000 0.918 394 E CA -0.827 55.348 56.400 -0.375 0.000 0.765 394 E CB 1.191 30.711 29.700 -0.300 0.000 1.218 394 E HN 0.337 nan 8.360 nan 0.000 0.425 395 R N 2.386 122.676 120.500 -0.351 0.000 3.045 395 R HA 0.509 4.849 4.340 -0.001 0.000 0.245 395 R C -1.390 175.086 176.300 0.294 0.000 1.333 395 R CA -0.917 55.127 56.100 -0.093 0.000 1.036 395 R CB 0.491 30.835 30.300 0.072 0.000 1.340 395 R HN 0.631 nan 8.270 nan 0.000 0.488 396 Y N -0.047 120.442 120.300 0.315 0.000 2.323 396 Y HA 0.204 4.753 4.550 -0.001 0.000 0.333 396 Y C -1.228 174.897 175.900 0.375 0.000 1.173 396 Y CA -0.185 58.115 58.100 0.332 0.000 1.342 396 Y CB 1.498 40.201 38.460 0.405 0.000 1.168 396 Y HN 0.701 nan 8.280 nan 0.000 0.464 397 T N 6.027 120.567 114.554 -0.023 0.000 2.738 397 T HA -0.140 4.209 4.350 -0.001 0.000 0.277 397 T C -0.276 174.405 174.700 -0.031 0.000 0.981 397 T CA 0.584 62.690 62.100 0.011 0.000 1.211 397 T CB 0.037 68.859 68.868 -0.076 0.000 0.932 397 T HN 0.578 nan 8.240 nan 0.000 0.522 398 W N 4.421 125.759 121.300 0.062 0.000 2.345 398 W HA 0.193 4.852 4.660 -0.001 0.000 0.308 398 W C -1.014 175.529 176.519 0.040 0.000 1.273 398 W CA -0.663 56.749 57.345 0.112 0.000 1.243 398 W CB 0.581 30.208 29.460 0.277 0.000 1.260 398 W HN 0.521 nan 8.180 nan 0.000 0.509 399 D N 5.399 125.513 120.400 -0.478 0.000 2.464 399 D HA 0.073 4.712 4.640 -0.001 0.000 0.243 399 D C 0.506 176.490 176.300 -0.527 0.000 1.104 399 D CA -0.132 53.653 54.000 -0.357 0.000 0.883 399 D CB 0.833 41.484 40.800 -0.248 0.000 1.050 399 D HN 0.233 nan 8.370 nan 0.000 0.524 400 E N 0.214 120.201 120.200 -0.355 0.000 2.556 400 E HA -0.098 4.251 4.350 -0.001 0.000 0.273 400 E C 1.238 177.584 176.600 -0.424 0.000 1.123 400 E CA 0.619 56.867 56.400 -0.254 0.000 1.033 400 E CB 0.608 30.280 29.700 -0.046 0.000 1.025 400 E HN 0.491 nan 8.360 nan 0.000 0.465 401 T N -2.121 112.141 114.554 -0.487 0.000 3.000 401 T HA -0.081 4.268 4.350 -0.001 0.000 0.248 401 T C 0.843 174.878 174.700 -1.110 0.000 1.034 401 T CA 0.173 61.644 62.100 -1.049 0.000 1.060 401 T CB -0.098 68.402 68.868 -0.613 0.000 0.983 401 T HN 0.388 nan 8.240 nan 0.000 0.482 402 N N 2.788 121.269 118.700 -0.365 0.000 2.962 402 N HA -0.058 4.681 4.740 -0.001 0.000 0.287 402 N C 0.099 175.610 175.510 0.001 0.000 1.467 402 N CA -0.120 52.886 53.050 -0.073 0.000 1.061 402 N CB -1.502 37.014 38.487 0.050 0.000 1.416 402 N HN 0.336 nan 8.380 nan 0.000 0.576 403 F N 0.814 120.882 119.950 0.197 0.000 1.977 403 F HA -0.045 4.482 4.527 -0.001 0.000 0.259 403 F C 2.617 178.526 175.800 0.183 0.000 1.330 403 F CA 1.236 59.341 58.000 0.175 0.000 1.193 403 F CB -1.229 37.899 39.000 0.214 0.000 1.564 403 F HN 0.270 nan 8.300 nan 0.000 0.541 404 G N -0.954 108.136 108.800 0.483 0.000 2.763 404 G HA2 -0.424 3.535 3.960 -0.001 0.000 0.324 404 G HA3 -0.424 3.535 3.960 -0.001 0.000 0.324 404 G C 1.380 176.420 174.900 0.234 0.000 0.991 404 G CA 1.765 47.063 45.100 0.330 0.000 0.665 404 G HN 0.761 nan 8.290 nan 0.000 0.600 405 S N -0.634 115.204 115.700 0.229 0.000 2.510 405 S HA 0.441 4.910 4.470 -0.001 0.000 0.230 405 S C 1.764 176.459 174.600 0.158 0.000 1.066 405 S CA 1.001 59.315 58.200 0.190 0.000 0.941 405 S CB -0.285 63.029 63.200 0.191 0.000 0.829 405 S HN 1.152 nan 8.310 nan 0.000 0.530 406 G N 2.031 110.918 108.800 0.145 0.000 2.855 406 G HA2 0.363 4.322 3.960 -0.001 0.000 0.248 406 G HA3 0.363 4.322 3.960 -0.001 0.000 0.248 406 G C -0.535 174.409 174.900 0.074 0.000 1.243 406 G CA -0.311 44.844 45.100 0.091 0.000 0.881 406 G HN 0.470 nan 8.290 nan 0.000 0.598 407 R N 0.250 120.763 120.500 0.022 0.000 2.533 407 R HA 0.231 4.571 4.340 -0.001 0.000 0.288 407 R C -1.502 174.784 176.300 -0.023 0.000 1.039 407 R CA -0.909 55.199 56.100 0.013 0.000 0.909 407 R CB 1.976 32.273 30.300 -0.005 0.000 1.195 407 R HN 0.630 nan 8.270 nan 0.000 0.438 408 D N 1.090 121.488 120.400 -0.003 0.000 2.277 408 D HA 0.142 4.781 4.640 -0.001 0.000 0.249 408 D C 0.135 176.409 176.300 -0.043 0.000 1.134 408 D CA 0.105 54.088 54.000 -0.028 0.000 0.863 408 D CB 1.269 42.065 40.800 -0.007 0.000 1.143 408 D HN 0.362 nan 8.370 nan 0.000 0.458 409 T N 3.912 118.410 114.554 -0.093 0.000 3.144 409 T HA 0.119 4.468 4.350 -0.001 0.000 0.249 409 T C 1.116 175.757 174.700 -0.098 0.000 1.089 409 T CA 0.044 62.074 62.100 -0.117 0.000 0.989 409 T CB 0.178 68.927 68.868 -0.199 0.000 0.992 409 T HN 0.259 nan 8.240 nan 0.000 0.540 410 R N 1.220 121.680 120.500 -0.066 0.000 2.696 410 R HA 0.243 4.582 4.340 -0.001 0.000 0.355 410 R C -0.496 175.789 176.300 -0.024 0.000 1.138 410 R CA 0.050 56.117 56.100 -0.055 0.000 1.059 410 R CB 0.416 30.684 30.300 -0.053 0.000 1.380 410 R HN 0.086 nan 8.270 nan 0.000 0.578 411 D N -1.039 119.363 120.400 0.003 0.000 2.672 411 D HA 0.045 4.685 4.640 -0.001 0.000 0.321 411 D C 0.868 177.237 176.300 0.115 0.000 1.496 411 D CA -0.042 53.974 54.000 0.026 0.000 0.901 411 D CB 0.354 41.157 40.800 0.005 0.000 1.441 411 D HN 0.240 nan 8.370 nan 0.000 0.423 412 G N 0.978 109.859 108.800 0.136 0.000 2.149 412 G HA2 0.166 4.125 3.960 -0.001 0.000 0.997 412 G HA3 0.166 4.125 3.960 -0.001 0.000 0.997 412 G C -0.049 175.116 174.900 0.443 0.000 1.152 412 G CA 0.513 45.771 45.100 0.263 0.000 1.514 412 G HN 0.322 nan 8.290 nan 0.000 0.837 413 F N -2.206 117.880 119.950 0.227 0.000 2.553 413 F HA 0.222 4.748 4.527 -0.001 0.000 0.291 413 F C -1.374 174.444 175.800 0.030 0.000 0.953 413 F CA -1.081 56.975 58.000 0.093 0.000 0.888 413 F CB -0.330 38.721 39.000 0.084 0.000 1.546 413 F HN 0.499 nan 8.300 nan 0.000 0.546 414 I N 6.784 127.041 120.570 -0.521 0.000 2.627 414 I HA 0.293 4.462 4.170 -0.001 0.000 0.288 414 I C -0.708 175.102 176.117 -0.511 0.000 1.202 414 I CA -0.592 60.385 61.300 -0.539 0.000 1.050 414 I CB 2.076 39.812 38.000 -0.440 0.000 1.264 414 I HN 0.548 nan 8.210 nan 0.000 0.429 415 Q N 3.181 122.690 119.800 -0.486 0.000 2.199 415 Q HA 0.669 5.008 4.340 -0.001 0.000 0.205 415 Q C -0.515 175.378 176.000 -0.179 0.000 1.001 415 Q CA -0.916 54.712 55.803 -0.293 0.000 1.019 415 Q CB 1.735 30.325 28.738 -0.245 0.000 1.132 415 Q HN 0.606 nan 8.270 nan 0.000 0.530 416 S N -0.766 114.869 115.700 -0.109 0.000 2.776 416 S HA 0.576 5.045 4.470 -0.001 0.000 0.306 416 S C 0.565 175.135 174.600 -0.049 0.000 1.114 416 S CA -0.227 57.928 58.200 -0.075 0.000 0.973 416 S CB 1.093 64.258 63.200 -0.057 0.000 1.250 416 S HN 0.777 nan 8.310 nan 0.000 0.549 417 A N 2.143 124.941 122.820 -0.036 0.000 3.014 417 A HA -0.105 4.214 4.320 -0.001 0.000 0.215 417 A C -1.722 175.853 177.584 -0.014 0.000 0.835 417 A CA 1.290 53.314 52.037 -0.023 0.000 1.139 417 A CB -2.563 16.427 19.000 -0.016 0.000 0.674 417 A HN 0.637 nan 8.150 nan 0.000 0.498 418 P HA 0.155 nan 4.420 nan 0.000 0.257 418 P C 0.050 177.366 177.300 0.026 0.000 1.269 418 P CA -0.153 62.955 63.100 0.013 0.000 1.122 418 P CB -0.379 31.332 31.700 0.019 0.000 1.285 419 L N 5.358 126.594 121.223 0.022 0.000 6.512 419 L HA -0.096 4.244 4.340 -0.001 0.000 0.276 419 L C 0.486 177.424 176.870 0.114 0.000 1.609 419 L CA 0.301 55.165 54.840 0.040 0.000 0.717 419 L CB -1.549 40.523 42.059 0.022 0.000 1.402 419 L HN 0.181 nan 8.230 nan 0.000 0.321 420 V N -1.333 118.639 119.914 0.097 0.000 2.621 420 V HA -0.109 4.010 4.120 -0.001 0.000 0.300 420 V C 1.667 177.852 176.094 0.153 0.000 1.031 420 V CA 0.535 62.907 62.300 0.120 0.000 1.210 420 V CB -0.330 31.535 31.823 0.070 0.000 0.864 420 V HN 0.293 nan 8.190 nan 0.000 0.477 421 V N 6.211 126.255 119.914 0.215 0.000 2.214 421 V HA -0.074 4.045 4.120 -0.001 0.000 0.245 421 V C -0.797 175.370 176.094 0.122 0.000 1.047 421 V CA 1.952 64.381 62.300 0.215 0.000 0.998 421 V CB -1.641 30.242 31.823 0.099 0.000 0.633 421 V HN 0.916 nan 8.190 nan 0.000 0.446 422 P HA 0.102 nan 4.420 nan 0.000 0.240 422 P C -2.564 174.771 177.300 0.057 0.000 1.594 422 P CA -1.037 62.084 63.100 0.034 0.000 1.184 422 P CB -1.084 30.615 31.700 -0.001 0.000 1.915 423 P HA 0.080 nan 4.420 nan 0.000 0.266 423 P C -1.952 175.384 177.300 0.059 0.000 1.215 423 P CA -0.930 62.222 63.100 0.086 0.000 0.763 423 P CB -0.484 31.299 31.700 0.139 0.000 0.806 424 P HA 0.066 nan 4.420 nan 0.000 0.286 424 P C 1.100 178.415 177.300 0.025 0.000 1.278 424 P CA -0.089 63.025 63.100 0.023 0.000 0.785 424 P CB 0.645 32.353 31.700 0.013 0.000 1.269 425 L N -0.972 120.260 121.223 0.015 0.000 2.200 425 L HA 0.047 4.386 4.340 -0.001 0.000 0.200 425 L C 1.701 178.570 176.870 -0.002 0.000 1.072 425 L CA 0.936 55.783 54.840 0.013 0.000 0.787 425 L CB -0.663 41.402 42.059 0.010 0.000 0.957 425 L HN 0.278 nan 8.230 nan 0.000 0.459 426 N N 0.696 119.392 118.700 -0.007 0.000 2.567 426 N HA -0.037 4.702 4.740 -0.001 0.000 0.195 426 N C 1.022 176.516 175.510 -0.027 0.000 1.242 426 N CA 0.643 53.682 53.050 -0.018 0.000 0.884 426 N CB 0.272 38.750 38.487 -0.014 0.000 1.007 426 N HN 0.286 nan 8.380 nan 0.000 0.450 427 G N -0.285 108.501 108.800 -0.024 0.000 4.100 427 G HA2 0.442 4.401 3.960 -0.001 0.000 0.294 427 G HA3 0.442 4.401 3.960 -0.001 0.000 0.294 427 G C 0.106 174.974 174.900 -0.053 0.000 1.040 427 G CA -0.058 45.022 45.100 -0.034 0.000 0.829 427 G HN 0.058 nan 8.290 nan 0.000 0.505 428 I N -0.471 120.063 120.570 -0.060 0.000 3.149 428 I HA 0.413 4.582 4.170 -0.001 0.000 0.310 428 I C -1.935 174.115 176.117 -0.113 0.000 1.343 428 I CA -1.041 60.210 61.300 -0.082 0.000 0.955 428 I CB 2.887 40.893 38.000 0.011 0.000 1.309 428 I HN -0.094 nan 8.210 nan 0.000 0.478 429 L N 3.217 124.337 121.223 -0.171 0.000 2.573 429 L HA 0.388 4.727 4.340 -0.001 0.000 0.260 429 L C -0.025 176.735 176.870 -0.183 0.000 0.997 429 L CA 0.034 54.720 54.840 -0.256 0.000 0.890 429 L CB 1.113 42.858 42.059 -0.522 0.000 1.179 429 L HN 0.782 nan 8.230 nan 0.000 0.439 430 T N -0.374 114.213 114.554 0.055 0.000 2.891 430 T HA 0.228 4.577 4.350 -0.001 0.000 0.294 430 T C 0.980 175.919 174.700 0.398 0.000 1.065 430 T CA 0.255 62.494 62.100 0.231 0.000 0.936 430 T CB 0.507 69.483 68.868 0.180 0.000 1.415 430 T HN 0.561 nan 8.240 nan 0.000 0.572 431 N N -0.663 118.217 118.700 0.300 0.000 2.494 431 N HA 0.029 4.769 4.740 -0.001 0.000 0.182 431 N C 1.651 177.296 175.510 0.225 0.000 1.076 431 N CA 0.414 53.550 53.050 0.144 0.000 0.908 431 N CB -0.278 38.155 38.487 -0.090 0.000 0.967 431 N HN 0.678 nan 8.380 nan 0.000 0.449 432 A N -0.183 122.861 122.820 0.373 0.000 2.220 432 A HA 0.150 4.469 4.320 -0.001 0.000 0.211 432 A C 0.169 177.901 177.584 0.246 0.000 1.176 432 A CA -0.241 52.082 52.037 0.477 0.000 0.834 432 A CB 0.132 19.259 19.000 0.213 0.000 0.868 432 A HN 0.204 nan 8.150 nan 0.000 0.488 433 N N 2.465 121.299 118.700 0.223 0.000 2.416 433 N HA 0.230 4.970 4.740 -0.001 0.000 0.265 433 N C -2.758 172.746 175.510 -0.009 0.000 1.195 433 N CA -1.078 52.017 53.050 0.076 0.000 0.943 433 N CB 0.529 39.049 38.487 0.056 0.000 1.115 433 N HN 0.228 nan 8.380 nan 0.000 0.481 434 P HA 0.177 nan 4.420 nan 0.000 0.270 434 P C -0.307 176.948 177.300 -0.075 0.000 1.227 434 P CA 0.035 63.045 63.100 -0.149 0.000 0.788 434 P CB 0.887 32.518 31.700 -0.116 0.000 0.926 435 I N 0.180 120.705 120.570 -0.075 0.000 2.611 435 I HA 0.319 4.488 4.170 -0.001 0.000 0.287 435 I C 1.008 177.103 176.117 -0.037 0.000 1.184 435 I CA -0.234 61.050 61.300 -0.027 0.000 1.054 435 I CB 0.692 38.709 38.000 0.029 0.000 1.257 435 I HN 0.735 nan 8.210 nan 0.000 0.435 436 G N 5.027 113.808 108.800 -0.032 0.000 2.194 436 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.236 436 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.236 436 G C 0.550 175.421 174.900 -0.047 0.000 0.987 436 G CA 0.756 45.836 45.100 -0.033 0.000 0.635 436 G HN 1.667 nan 8.290 nan 0.000 0.520 437 T N -3.822 110.699 114.554 -0.056 0.000 5.396 437 T HA -0.166 4.183 4.350 -0.001 0.000 0.267 437 T C 0.250 174.900 174.700 -0.082 0.000 2.216 437 T CA 1.610 63.673 62.100 -0.061 0.000 3.793 437 T CB -1.642 67.194 68.868 -0.053 0.000 0.379 437 T HN 1.000 nan 8.240 nan 0.000 1.014 438 K N 2.002 122.346 120.400 -0.094 0.000 2.201 438 K HA 0.441 4.760 4.320 -0.001 0.000 0.278 438 K C 1.083 177.605 176.600 -0.130 0.000 1.027 438 K CA -0.649 55.570 56.287 -0.114 0.000 0.909 438 K CB 1.042 33.474 32.500 -0.114 0.000 1.062 438 K HN 0.213 nan 8.250 nan 0.000 0.465 439 N N 2.011 120.640 118.700 -0.119 0.000 2.006 439 N HA -0.164 4.575 4.740 -0.001 0.000 0.196 439 N C 0.652 176.057 175.510 -0.175 0.000 1.070 439 N CA 1.352 54.328 53.050 -0.123 0.000 0.859 439 N CB -0.010 38.432 38.487 -0.076 0.000 1.060 439 N HN 0.541 nan 8.380 nan 0.000 0.424 440 D N 0.762 121.107 120.400 -0.091 0.000 2.379 440 D HA 0.009 4.648 4.640 -0.001 0.000 0.243 440 D C -0.141 176.155 176.300 -0.006 0.000 1.088 440 D CA 0.272 54.265 54.000 -0.011 0.000 0.925 440 D CB 0.038 40.854 40.800 0.027 0.000 0.888 440 D HN 0.125 nan 8.370 nan 0.000 0.529 441 I N 1.412 121.905 120.570 -0.128 0.000 2.306 441 I HA 0.132 4.301 4.170 -0.001 0.000 0.288 441 I C 0.481 176.499 176.117 -0.165 0.000 1.036 441 I CA -0.581 60.668 61.300 -0.086 0.000 1.221 441 I CB 0.359 38.308 38.000 -0.084 0.000 1.385 441 I HN -0.117 nan 8.210 nan 0.000 0.472 442 H N 5.068 124.135 119.070 -0.005 0.000 2.760 442 H HA 0.271 4.826 4.556 -0.001 0.000 0.301 442 H C 0.720 176.076 175.328 0.048 0.000 1.498 442 H CA -0.317 55.755 56.048 0.040 0.000 1.525 442 H CB 0.861 30.629 29.762 0.011 0.000 1.771 442 H HN 0.475 nan 8.280 nan 0.000 0.827 443 F N -1.704 118.320 119.950 0.125 0.000 2.698 443 F HA 0.240 4.767 4.527 -0.001 0.000 0.295 443 F C 1.484 177.313 175.800 0.048 0.000 1.124 443 F CA 0.172 58.191 58.000 0.032 0.000 1.426 443 F CB -0.208 38.769 39.000 -0.038 0.000 1.120 443 F HN 0.174 nan 8.300 nan 0.000 0.583 444 S N 0.849 116.089 115.700 -0.767 0.000 2.481 444 S HA -0.102 4.367 4.470 -0.001 0.000 0.231 444 S C 1.274 175.770 174.600 -0.173 0.000 0.996 444 S CA 1.093 58.961 58.200 -0.554 0.000 0.942 444 S CB -0.601 62.362 63.200 -0.395 0.000 0.768 444 S HN 0.485 nan 8.310 nan 0.000 0.520 445 N N 0.786 119.343 118.700 -0.238 0.000 2.463 445 N HA -0.012 4.727 4.740 -0.001 0.000 0.181 445 N C 1.410 176.835 175.510 -0.142 0.000 1.078 445 N CA 0.786 53.619 53.050 -0.362 0.000 0.902 445 N CB 0.237 38.576 38.487 -0.247 0.000 0.970 445 N HN 0.460 nan 8.380 nan 0.000 0.451 446 V N -3.977 115.934 119.914 -0.005 0.000 3.484 446 V HA 0.336 4.455 4.120 -0.001 0.000 0.252 446 V C 0.714 176.928 176.094 0.199 0.000 1.282 446 V CA -0.359 61.992 62.300 0.085 0.000 1.104 446 V CB -0.603 31.290 31.823 0.116 0.000 0.868 446 V HN -0.115 nan 8.190 nan 0.000 0.457 447 F N 3.487 123.457 119.950 0.034 0.000 2.669 447 F HA 0.157 4.683 4.527 -0.001 0.000 0.344 447 F C 0.657 176.495 175.800 0.064 0.000 1.161 447 F CA 0.665 58.716 58.000 0.085 0.000 1.377 447 F CB -0.241 38.794 39.000 0.058 0.000 1.047 447 F HN 0.551 nan 8.300 nan 0.000 0.627 448 N N 1.847 120.376 118.700 -0.285 0.000 3.049 448 N HA 0.068 4.808 4.740 -0.001 0.000 0.241 448 N C -1.897 173.417 175.510 -0.327 0.000 1.323 448 N CA -0.081 52.852 53.050 -0.195 0.000 0.824 448 N CB 0.579 39.075 38.487 0.016 0.000 1.557 448 N HN 0.456 nan 8.380 nan 0.000 0.612 449 S N 3.622 119.132 115.700 -0.317 0.000 2.665 449 S HA 0.224 4.694 4.470 -0.001 0.000 0.230 449 S C -1.295 173.447 174.600 0.236 0.000 1.326 449 S CA -0.310 57.788 58.200 -0.170 0.000 1.055 449 S CB -0.164 62.877 63.200 -0.266 0.000 1.178 449 S HN 0.571 nan 8.310 nan 0.000 0.489 450 Y N 3.272 123.594 120.300 0.037 0.000 2.562 450 Y HA 0.547 5.097 4.550 -0.001 0.000 0.363 450 Y C 0.469 176.344 175.900 -0.043 0.000 0.991 450 Y CA -1.117 56.956 58.100 -0.046 0.000 1.121 450 Y CB 0.076 38.430 38.460 -0.176 0.000 1.159 450 Y HN 0.560 nan 8.280 nan 0.000 0.651 451 G N 2.320 111.042 108.800 -0.130 0.000 2.537 451 G HA2 0.296 4.256 3.960 -0.001 0.000 0.273 451 G HA3 0.296 4.256 3.960 -0.001 0.000 0.273 451 G C -1.829 172.915 174.900 -0.260 0.000 1.189 451 G CA -1.525 43.478 45.100 -0.161 0.000 0.881 451 G HN 0.315 nan 8.290 nan 0.000 0.535 452 P HA -0.003 nan 4.420 nan 0.000 0.250 452 P C 0.497 177.723 177.300 -0.123 0.000 1.239 452 P CA 0.728 63.719 63.100 -0.181 0.000 0.756 452 P CB -0.018 31.614 31.700 -0.114 0.000 1.013 453 L N -1.248 119.915 121.223 -0.101 0.000 3.209 453 L HA 0.254 4.593 4.340 -0.001 0.000 0.279 453 L C 0.039 176.904 176.870 -0.008 0.000 1.301 453 L CA -0.030 54.782 54.840 -0.045 0.000 1.004 453 L CB 0.254 42.297 42.059 -0.025 0.000 1.402 453 L HN -0.204 nan 8.230 nan 0.000 0.577 454 T N -0.111 114.433 114.554 -0.017 0.000 2.856 454 T HA 0.629 4.978 4.350 -0.001 0.000 0.283 454 T C 0.206 175.005 174.700 0.164 0.000 1.008 454 T CA -0.424 61.745 62.100 0.114 0.000 0.997 454 T CB 2.382 71.342 68.868 0.153 0.000 0.992 454 T HN 0.296 nan 8.240 nan 0.000 0.454 455 T N -0.219 114.488 114.554 0.256 0.000 2.804 455 T HA 0.922 5.271 4.350 -0.001 0.000 0.290 455 T C -1.405 173.539 174.700 0.408 0.000 1.099 455 T CA -0.984 61.191 62.100 0.124 0.000 1.011 455 T CB 1.612 70.504 68.868 0.041 0.000 1.291 455 T HN 0.900 nan 8.240 nan 0.000 0.523 456 F N -3.059 116.956 119.950 0.107 0.000 2.892 456 F HA 0.610 5.137 4.527 -0.001 0.000 0.334 456 F C -0.929 174.940 175.800 0.116 0.000 1.131 456 F CA -1.260 56.813 58.000 0.122 0.000 0.896 456 F CB 0.343 39.436 39.000 0.155 0.000 1.396 456 F HN 0.709 nan 8.300 nan 0.000 0.458 457 S N 0.555 116.428 115.700 0.288 0.000 2.601 457 S HA 0.230 4.699 4.470 -0.001 0.000 0.271 457 S C -0.630 174.156 174.600 0.311 0.000 1.305 457 S CA -0.388 57.937 58.200 0.208 0.000 1.022 457 S CB 0.266 63.571 63.200 0.175 0.000 0.940 457 S HN 0.832 nan 8.310 nan 0.000 0.525 458 H N 3.086 122.238 119.070 0.137 0.000 2.732 458 H HA 0.184 4.740 4.556 -0.001 0.000 0.351 458 H C -2.287 173.127 175.328 0.144 0.000 1.090 458 H CA -1.523 54.611 56.048 0.142 0.000 1.431 458 H CB 0.671 30.471 29.762 0.063 0.000 1.447 458 H HN 0.323 nan 8.280 nan 0.000 0.582 459 P HA -0.060 nan 4.420 nan 0.000 0.261 459 P C -0.467 176.816 177.300 -0.029 0.000 1.203 459 P CA -0.028 63.016 63.100 -0.093 0.000 0.767 459 P CB 0.169 31.787 31.700 -0.137 0.000 0.785 460 S N 5.057 120.824 115.700 0.112 0.000 2.593 460 S HA 0.382 4.851 4.470 -0.001 0.000 0.269 460 S C -2.053 172.583 174.600 0.060 0.000 1.334 460 S CA -1.047 57.232 58.200 0.132 0.000 1.015 460 S CB -0.575 62.756 63.200 0.217 0.000 0.912 460 S HN 0.257 nan 8.310 nan 0.000 0.541 461 P HA 0.268 nan 4.420 nan 0.000 0.274 461 P C -0.940 176.152 177.300 -0.346 0.000 1.264 461 P CA -0.571 62.442 63.100 -0.146 0.000 0.795 461 P CB 0.189 31.691 31.700 -0.331 0.000 1.064 462 V N 0.303 119.852 119.914 -0.608 0.000 2.516 462 V HA 0.036 4.155 4.120 -0.001 0.000 0.271 462 V C 0.656 176.278 176.094 -0.787 0.000 0.992 462 V CA -0.585 61.214 62.300 -0.835 0.000 0.857 462 V CB 0.069 31.338 31.823 -0.923 0.000 1.047 462 V HN 0.520 nan 8.190 nan 0.000 0.455 463 Y N 6.163 125.778 120.300 -1.142 0.000 1.377 463 Y HA -0.229 4.321 4.550 -0.001 0.000 0.101 463 Y C -1.573 173.863 175.900 -0.774 0.000 0.659 463 Y CA 2.135 59.324 58.100 -1.518 0.000 0.431 463 Y CB -1.365 36.279 38.460 -1.360 0.000 0.571 463 Y HN 0.433 nan 8.280 nan 0.000 0.768 464 P HA -0.007 nan 4.420 nan 0.000 0.271 464 P C 0.151 177.206 177.300 -0.409 0.000 1.238 464 P CA 1.185 63.805 63.100 -0.800 0.000 0.794 464 P CB 0.342 31.574 31.700 -0.780 0.000 0.959 465 Q N -0.814 118.936 119.800 -0.082 0.000 2.102 465 Q HA -0.304 4.035 4.340 -0.001 0.000 0.357 465 Q C 1.048 177.042 176.000 -0.011 0.000 1.653 465 Q CA 1.702 57.455 55.803 -0.084 0.000 0.907 465 Q CB -2.669 25.827 28.738 -0.404 0.000 1.812 465 Q HN 0.789 nan 8.270 nan 0.000 0.795 466 G N 1.894 110.583 108.800 -0.185 0.000 3.227 466 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.235 466 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.235 466 G C -0.155 174.930 174.900 0.309 0.000 0.739 466 G CA 0.944 46.072 45.100 0.048 0.000 1.073 466 G HN 0.463 nan 8.290 nan 0.000 0.352 467 Q N -0.604 119.362 119.800 0.277 0.000 2.177 467 Q HA 0.657 4.996 4.340 -0.001 0.000 0.183 467 Q C 1.114 177.118 176.000 0.007 0.000 1.040 467 Q CA -0.753 55.103 55.803 0.088 0.000 1.089 467 Q CB 0.699 29.479 28.738 0.070 0.000 1.130 467 Q HN 0.556 nan 8.270 nan 0.000 0.575 468 I N -2.062 118.357 120.570 -0.252 0.000 4.061 468 I HA 0.200 4.370 4.170 -0.001 0.000 0.254 468 I C -0.496 175.704 176.117 0.138 0.000 1.038 468 I CA -0.288 60.825 61.300 -0.312 0.000 1.945 468 I CB 0.275 37.891 38.000 -0.639 0.000 1.592 468 I HN 0.662 nan 8.210 nan 0.000 0.449 469 W N 1.361 122.699 121.300 0.062 0.000 2.655 469 W HA 0.717 5.376 4.660 -0.001 0.000 0.358 469 W C -1.076 175.564 176.519 0.200 0.000 1.100 469 W CA -0.702 56.723 57.345 0.133 0.000 1.195 469 W CB 0.582 30.070 29.460 0.046 0.000 1.403 469 W HN 0.007 nan 8.180 nan 0.000 0.589 470 D N 1.881 122.536 120.400 0.425 0.000 2.937 470 D HA 0.104 4.744 4.640 -0.001 0.000 0.215 470 D C -0.180 176.142 176.300 0.038 0.000 1.274 470 D CA -0.531 53.623 54.000 0.256 0.000 0.869 470 D CB 2.291 43.220 40.800 0.215 0.000 1.675 470 D HN 0.599 nan 8.370 nan 0.000 0.538 471 K N 1.087 121.304 120.400 -0.304 0.000 2.583 471 K HA -0.165 4.154 4.320 -0.001 0.000 0.280 471 K C -0.196 176.292 176.600 -0.187 0.000 0.881 471 K CA 1.065 57.134 56.287 -0.364 0.000 0.832 471 K CB 0.239 32.321 32.500 -0.696 0.000 0.673 471 K HN 0.432 nan 8.250 nan 0.000 0.849 472 E N -0.271 119.865 120.200 -0.107 0.000 2.397 472 E HA 0.200 4.549 4.350 -0.001 0.000 0.293 472 E C -1.570 175.081 176.600 0.084 0.000 0.930 472 E CA -0.217 56.169 56.400 -0.022 0.000 0.793 472 E CB 0.714 30.385 29.700 -0.049 0.000 1.259 472 E HN 0.416 nan 8.360 nan 0.000 0.406 473 L N 3.928 125.268 121.223 0.195 0.000 2.660 473 L HA 0.063 4.403 4.340 -0.001 0.000 0.272 473 L C 0.880 177.806 176.870 0.094 0.000 1.194 473 L CA 0.530 55.452 54.840 0.137 0.000 0.945 473 L CB 0.331 42.470 42.059 0.133 0.000 1.212 473 L HN 0.658 nan 8.230 nan 0.000 0.490 474 D N 5.247 125.689 120.400 0.071 0.000 2.948 474 D HA 0.067 4.707 4.640 -0.001 0.000 0.241 474 D C -0.202 176.131 176.300 0.054 0.000 1.198 474 D CA 0.070 54.102 54.000 0.053 0.000 0.926 474 D CB 0.050 40.879 40.800 0.047 0.000 1.151 474 D HN 0.385 nan 8.370 nan 0.000 0.441 475 L N 1.796 123.058 121.223 0.065 0.000 2.282 475 L HA 0.141 4.480 4.340 -0.001 0.000 0.288 475 L C 1.854 178.760 176.870 0.061 0.000 1.033 475 L CA -0.845 54.041 54.840 0.076 0.000 0.807 475 L CB 1.865 43.982 42.059 0.097 0.000 1.209 475 L HN 0.071 nan 8.230 nan 0.000 0.423 476 E N 1.699 121.927 120.200 0.046 0.000 2.172 476 E HA -0.253 4.097 4.350 -0.001 0.000 0.213 476 E C -0.063 176.397 176.600 -0.234 0.000 1.051 476 E CA 1.811 58.161 56.400 -0.083 0.000 0.860 476 E CB -0.417 29.255 29.700 -0.046 0.000 0.755 476 E HN 0.603 nan 8.360 nan 0.000 0.462 477 H N 0.245 119.340 119.070 0.041 0.000 2.533 477 H HA 0.483 5.038 4.556 -0.001 0.000 0.343 477 H C 0.084 175.447 175.328 0.058 0.000 1.160 477 H CA -0.605 55.472 56.048 0.047 0.000 1.218 477 H CB 1.398 31.187 29.762 0.045 0.000 1.566 477 H HN -0.070 nan 8.280 nan 0.000 0.522 478 K N 1.356 121.861 120.400 0.176 0.000 2.512 478 K HA 0.396 4.715 4.320 -0.001 0.000 0.263 478 K C -2.761 173.931 176.600 0.154 0.000 0.966 478 K CA -2.027 54.350 56.287 0.150 0.000 0.851 478 K CB 1.117 33.697 32.500 0.133 0.000 1.395 478 K HN 0.408 nan 8.250 nan 0.000 0.440 479 P HA 0.164 nan 4.420 nan 0.000 0.269 479 P C 0.102 177.519 177.300 0.196 0.000 1.215 479 P CA -0.287 62.908 63.100 0.159 0.000 0.780 479 P CB 0.646 32.431 31.700 0.142 0.000 0.898 480 R N 0.346 120.964 120.500 0.196 0.000 2.148 480 R HA 0.063 4.403 4.340 -0.001 0.000 0.227 480 R C 0.924 177.371 176.300 0.245 0.000 1.103 480 R CA 0.931 57.156 56.100 0.208 0.000 0.983 480 R CB -0.405 30.051 30.300 0.260 0.000 0.874 480 R HN 0.547 nan 8.270 nan 0.000 0.451 481 L N -4.614 116.781 121.223 0.286 0.000 2.720 481 L HA 0.491 4.831 4.340 -0.001 0.000 0.261 481 L C -1.258 175.825 176.870 0.355 0.000 1.046 481 L CA -1.123 53.925 54.840 0.348 0.000 0.886 481 L CB 2.205 44.473 42.059 0.349 0.000 1.493 481 L HN -0.139 nan 8.230 nan 0.000 0.407 482 H N 1.367 120.517 119.070 0.133 0.000 2.489 482 H HA 0.464 5.020 4.556 -0.001 0.000 0.343 482 H C 0.529 175.867 175.328 0.018 0.000 1.086 482 H CA -0.391 55.705 56.048 0.080 0.000 1.198 482 H CB 2.947 32.773 29.762 0.107 0.000 1.490 482 H HN 0.788 nan 8.280 nan 0.000 0.504 483 I N -0.050 120.562 120.570 0.069 0.000 3.059 483 I HA -0.069 4.100 4.170 -0.001 0.000 0.270 483 I C 1.734 177.879 176.117 0.047 0.000 1.238 483 I CA 0.831 62.142 61.300 0.020 0.000 1.478 483 I CB -0.211 37.791 38.000 0.004 0.000 1.097 483 I HN 0.393 nan 8.210 nan 0.000 0.455 484 T N -0.779 113.832 114.554 0.095 0.000 3.118 484 T HA 0.505 4.854 4.350 -0.001 0.000 0.260 484 T C 0.645 175.434 174.700 0.148 0.000 1.139 484 T CA 0.365 62.530 62.100 0.109 0.000 1.085 484 T CB -0.198 68.739 68.868 0.115 0.000 0.934 484 T HN 0.544 nan 8.240 nan 0.000 0.518 485 A N 1.054 123.972 122.820 0.164 0.000 2.565 485 A HA 0.644 4.963 4.320 -0.001 0.000 0.298 485 A C -2.606 175.083 177.584 0.176 0.000 1.062 485 A CA -1.360 50.789 52.037 0.186 0.000 0.723 485 A CB 1.015 20.136 19.000 0.201 0.000 1.282 485 A HN -0.056 nan 8.150 nan 0.000 0.400 486 P HA 0.007 nan 4.420 nan 0.000 0.218 486 P C -0.114 177.126 177.300 -0.100 0.000 1.149 486 P CA 1.368 64.493 63.100 0.042 0.000 0.817 486 P CB -0.018 31.548 31.700 -0.223 0.000 0.785 487 F N -1.589 118.545 119.950 0.307 0.000 2.482 487 F HA 0.403 4.929 4.527 -0.001 0.000 0.331 487 F C -0.027 175.867 175.800 0.157 0.000 1.115 487 F CA -1.160 56.948 58.000 0.180 0.000 0.955 487 F CB 1.545 40.599 39.000 0.091 0.000 1.136 487 F HN -0.492 nan 8.300 nan 0.000 0.452 488 V N 2.587 122.661 119.914 0.267 0.000 2.380 488 V HA 0.186 4.306 4.120 -0.001 0.000 0.286 488 V C -0.476 175.691 176.094 0.122 0.000 1.015 488 V CA -1.212 61.162 62.300 0.123 0.000 0.834 488 V CB 0.990 32.776 31.823 -0.062 0.000 1.009 488 V HN 0.968 nan 8.190 nan 0.000 0.428 489 C N 4.584 123.987 119.300 0.172 0.000 2.465 489 C HA 0.006 4.465 4.460 -0.001 0.000 0.402 489 C C 1.974 177.010 174.990 0.076 0.000 1.448 489 C CA -0.264 58.850 59.018 0.160 0.000 1.589 489 C CB -0.885 26.981 27.740 0.210 0.000 2.535 489 C HN 0.921 nan 8.230 nan 0.000 0.600 490 K N 1.846 122.285 120.400 0.065 0.000 2.243 490 K HA -0.051 4.268 4.320 -0.001 0.000 0.201 490 K C 0.971 177.587 176.600 0.027 0.000 1.051 490 K CA 0.978 57.287 56.287 0.036 0.000 0.970 490 K CB 0.019 32.538 32.500 0.031 0.000 0.755 490 K HN 0.867 nan 8.250 nan 0.000 0.465 491 N N 0.212 118.933 118.700 0.036 0.000 2.938 491 N HA -0.012 4.727 4.740 -0.001 0.000 0.335 491 N C -0.155 175.372 175.510 0.028 0.000 1.358 491 N CA -0.746 52.319 53.050 0.025 0.000 0.812 491 N CB -0.525 37.977 38.487 0.025 0.000 1.233 491 N HN -0.188 nan 8.380 nan 0.000 0.593 492 N N -1.438 117.269 118.700 0.012 0.000 2.116 492 N HA 0.252 4.991 4.740 -0.001 0.000 0.209 492 N C -0.820 174.713 175.510 0.039 0.000 1.362 492 N CA 1.051 54.096 53.050 -0.008 0.000 0.867 492 N CB 0.060 38.513 38.487 -0.058 0.000 1.040 492 N HN 0.800 nan 8.380 nan 0.000 0.432 493 A N -0.557 122.268 122.820 0.009 0.000 2.524 493 A HA 0.670 4.989 4.320 -0.001 0.000 0.286 493 A C -2.745 174.783 177.584 -0.093 0.000 1.203 493 A CA -1.211 50.895 52.037 0.114 0.000 0.736 493 A CB 0.854 19.926 19.000 0.121 0.000 1.322 493 A HN 0.547 nan 8.150 nan 0.000 0.424 494 P HA 0.311 nan 4.420 nan 0.000 0.269 494 P C 0.075 177.369 177.300 -0.011 0.000 1.209 494 P CA 0.378 63.356 63.100 -0.204 0.000 0.776 494 P CB 0.549 32.342 31.700 0.154 0.000 0.876 495 G N 1.790 110.512 108.800 -0.130 0.000 2.356 495 G HA2 0.244 4.203 3.960 -0.001 0.000 0.298 495 G HA3 0.244 4.203 3.960 -0.001 0.000 0.298 495 G C -0.604 174.306 174.900 0.016 0.000 1.145 495 G CA -0.476 44.593 45.100 -0.052 0.000 0.850 495 G HN 0.425 nan 8.290 nan 0.000 0.487 496 Q N 0.485 120.283 119.800 -0.003 0.000 2.373 496 Q HA 0.264 4.603 4.340 -0.001 0.000 0.255 496 Q C -0.113 175.859 176.000 -0.046 0.000 0.980 496 Q CA 0.195 55.985 55.803 -0.023 0.000 0.882 496 Q CB 1.660 30.330 28.738 -0.114 0.000 1.249 496 Q HN 0.568 nan 8.270 nan 0.000 0.438 497 M N 3.637 123.240 119.600 0.004 0.000 2.078 497 M HA 0.364 4.843 4.480 -0.001 0.000 0.320 497 M C -1.862 174.431 176.300 -0.010 0.000 0.969 497 M CA -0.407 54.915 55.300 0.035 0.000 0.929 497 M CB 0.586 33.288 32.600 0.171 0.000 1.504 497 M HN 0.498 nan 8.290 nan 0.000 0.419 498 L N 5.635 126.799 121.223 -0.099 0.000 2.307 498 L HA 0.743 5.082 4.340 -0.001 0.000 0.284 498 L C -0.941 175.955 176.870 0.043 0.000 1.023 498 L CA -0.978 53.810 54.840 -0.087 0.000 0.810 498 L CB 1.764 43.619 42.059 -0.341 0.000 1.231 498 L HN 0.406 nan 8.230 nan 0.000 0.423 499 V N 3.528 123.563 119.914 0.202 0.000 2.656 499 V HA 0.631 4.751 4.120 -0.001 0.000 0.307 499 V C -0.387 175.861 176.094 0.256 0.000 1.051 499 V CA -0.672 61.750 62.300 0.204 0.000 0.893 499 V CB 2.289 34.189 31.823 0.128 0.000 0.999 499 V HN 0.812 nan 8.190 nan 0.000 0.426 500 R N 3.544 124.130 120.500 0.144 0.000 2.707 500 R HA 0.613 4.952 4.340 -0.001 0.000 0.272 500 R C -1.727 174.487 176.300 -0.143 0.000 1.011 500 R CA -0.812 55.208 56.100 -0.133 0.000 0.893 500 R CB 1.932 31.777 30.300 -0.757 0.000 1.233 500 R HN 0.677 nan 8.270 nan 0.000 0.464 501 L N 1.939 123.079 121.223 -0.138 0.000 2.439 501 L HA 0.347 4.686 4.340 -0.001 0.000 0.269 501 L C 0.811 177.582 176.870 -0.166 0.000 1.179 501 L CA -0.086 54.692 54.840 -0.104 0.000 0.828 501 L CB 1.125 43.146 42.059 -0.064 0.000 1.106 501 L HN 0.860 nan 8.230 nan 0.000 0.467 502 G N 2.350 111.079 108.800 -0.118 0.000 2.356 502 G HA2 0.469 4.428 3.960 -0.001 0.000 0.298 502 G HA3 0.469 4.428 3.960 -0.001 0.000 0.298 502 G C -2.516 172.322 174.900 -0.102 0.000 1.145 502 G CA -0.992 44.037 45.100 -0.119 0.000 0.850 502 G HN 0.381 nan 8.290 nan 0.000 0.487 503 P HA 0.048 nan 4.420 nan 0.000 0.266 503 P C -0.495 176.754 177.300 -0.085 0.000 1.215 503 P CA -0.341 62.701 63.100 -0.096 0.000 0.763 503 P CB 0.732 32.366 31.700 -0.110 0.000 0.806 504 N N 4.161 122.822 118.700 -0.066 0.000 2.426 504 N HA 0.244 4.984 4.740 -0.001 0.000 0.257 504 N C -0.762 174.717 175.510 -0.052 0.000 1.002 504 N CA -0.270 52.746 53.050 -0.055 0.000 0.942 504 N CB 0.240 38.702 38.487 -0.042 0.000 1.112 504 N HN 0.261 nan 8.380 nan 0.000 0.499 505 L N 1.306 122.492 121.223 -0.061 0.000 2.387 505 L HA 0.507 4.847 4.340 -0.001 0.000 0.266 505 L C 1.328 178.186 176.870 -0.020 0.000 1.059 505 L CA -0.726 54.081 54.840 -0.055 0.000 0.801 505 L CB 1.536 43.536 42.059 -0.098 0.000 1.223 505 L HN 0.611 nan 8.230 nan 0.000 0.456 506 T N -3.668 110.889 114.554 0.006 0.000 2.864 506 T HA 0.152 4.501 4.350 -0.001 0.000 0.276 506 T C 0.640 175.358 174.700 0.031 0.000 1.006 506 T CA -0.164 61.947 62.100 0.019 0.000 0.970 506 T CB 0.951 69.837 68.868 0.030 0.000 1.420 506 T HN 0.675 nan 8.240 nan 0.000 0.601 507 D N -0.808 119.611 120.400 0.031 0.000 2.224 507 D HA -0.038 4.601 4.640 -0.001 0.000 0.205 507 D C 0.522 176.853 176.300 0.051 0.000 0.965 507 D CA 0.943 54.962 54.000 0.033 0.000 0.852 507 D CB -0.163 40.651 40.800 0.022 0.000 0.947 507 D HN 0.493 nan 8.370 nan 0.000 0.494 508 Q N -0.802 119.035 119.800 0.063 0.000 2.309 508 Q HA 0.426 4.765 4.340 -0.001 0.000 0.264 508 Q C -1.390 174.705 176.000 0.158 0.000 1.008 508 Q CA -0.775 55.074 55.803 0.078 0.000 0.853 508 Q CB 2.521 31.285 28.738 0.043 0.000 1.314 508 Q HN 0.343 nan 8.270 nan 0.000 0.448 509 Y N 1.090 121.391 120.300 0.002 0.000 2.378 509 Y HA 0.092 4.641 4.550 -0.001 0.000 0.309 509 Y C -1.941 173.962 175.900 0.005 0.000 1.161 509 Y CA -0.475 57.627 58.100 0.004 0.000 1.533 509 Y CB 0.581 39.043 38.460 0.004 0.000 1.208 509 Y HN 0.629 nan 8.280 nan 0.000 0.458 510 D N 6.728 126.894 120.400 -0.390 0.000 2.427 510 D HA 0.417 5.057 4.640 -0.001 0.000 0.226 510 D C -1.925 174.080 176.300 -0.492 0.000 1.076 510 D CA -2.261 51.536 54.000 -0.338 0.000 0.849 510 D CB 1.782 42.493 40.800 -0.148 0.000 1.052 510 D HN 0.211 nan 8.370 nan 0.000 0.515 511 P HA -0.101 nan 4.420 nan 0.000 0.221 511 P C 0.084 177.262 177.300 -0.203 0.000 1.145 511 P CA 0.653 63.480 63.100 -0.455 0.000 0.795 511 P CB 0.158 31.757 31.700 -0.168 0.000 0.775 512 N N 0.333 118.937 118.700 -0.160 0.000 2.581 512 N HA 0.033 4.772 4.740 -0.001 0.000 0.230 512 N C 0.700 176.147 175.510 -0.106 0.000 1.310 512 N CA 0.479 53.471 53.050 -0.098 0.000 0.886 512 N CB -0.258 38.191 38.487 -0.064 0.000 1.205 512 N HN 0.135 nan 8.380 nan 0.000 0.488 513 G N -0.823 107.890 108.800 -0.145 0.000 2.487 513 G HA2 0.484 4.443 3.960 -0.001 0.000 0.314 513 G HA3 0.484 4.443 3.960 -0.001 0.000 0.314 513 G C 0.907 175.763 174.900 -0.074 0.000 1.267 513 G CA -0.406 44.623 45.100 -0.117 0.000 0.937 513 G HN 0.115 nan 8.290 nan 0.000 0.481 514 A N 2.688 125.480 122.820 -0.046 0.000 1.870 514 A HA -0.007 4.312 4.320 -0.001 0.000 0.219 514 A C 1.488 179.061 177.584 -0.017 0.000 1.224 514 A CA 1.767 53.788 52.037 -0.027 0.000 0.650 514 A CB -0.580 18.407 19.000 -0.022 0.000 0.836 514 A HN 0.595 nan 8.150 nan 0.000 0.454 515 T N 0.551 115.096 114.554 -0.016 0.000 2.792 515 T HA 0.557 4.906 4.350 -0.001 0.000 0.280 515 T C -0.649 174.055 174.700 0.006 0.000 0.990 515 T CA -0.462 61.637 62.100 -0.001 0.000 0.960 515 T CB 1.392 70.260 68.868 -0.002 0.000 0.939 515 T HN 0.191 nan 8.240 nan 0.000 0.439 516 L N 3.379 124.626 121.223 0.040 0.000 2.322 516 L HA 0.510 4.850 4.340 -0.001 0.000 0.279 516 L C 0.819 177.744 176.870 0.092 0.000 1.036 516 L CA -0.540 54.349 54.840 0.082 0.000 0.807 516 L CB 1.802 43.982 42.059 0.201 0.000 1.226 516 L HN 0.822 nan 8.230 nan 0.000 0.433 517 S N 4.650 120.407 115.700 0.095 0.000 2.523 517 S HA 0.617 5.087 4.470 -0.001 0.000 0.275 517 S C -0.230 174.414 174.600 0.075 0.000 1.281 517 S CA -0.729 57.512 58.200 0.069 0.000 1.050 517 S CB 1.084 64.316 63.200 0.054 0.000 0.937 517 S HN 0.745 nan 8.310 nan 0.000 0.492 518 R N 1.983 122.509 120.500 0.043 0.000 2.740 518 R HA 0.639 4.978 4.340 -0.001 0.000 0.273 518 R C -1.176 175.132 176.300 0.015 0.000 0.998 518 R CA -1.026 55.088 56.100 0.023 0.000 0.900 518 R CB 0.861 31.169 30.300 0.013 0.000 1.223 518 R HN 0.583 nan 8.270 nan 0.000 0.466 519 I N 2.022 122.595 120.570 0.005 0.000 2.529 519 I HA 0.073 4.242 4.170 -0.001 0.000 0.284 519 I C 0.279 176.402 176.117 0.010 0.000 1.082 519 I CA -0.988 60.315 61.300 0.004 0.000 1.406 519 I CB 1.584 39.580 38.000 -0.007 0.000 1.405 519 I HN 0.356 nan 8.210 nan 0.000 0.548 520 V N 5.852 125.779 119.914 0.022 0.000 2.400 520 V HA 0.022 4.141 4.120 -0.001 0.000 0.263 520 V C 0.346 176.472 176.094 0.054 0.000 1.026 520 V CA 0.415 62.746 62.300 0.052 0.000 1.077 520 V CB -0.815 31.050 31.823 0.071 0.000 1.054 520 V HN 0.754 nan 8.190 nan 0.000 0.477 521 T N 5.889 120.471 114.554 0.048 0.000 2.824 521 T HA 0.710 5.060 4.350 -0.001 0.000 0.282 521 T C -0.721 174.021 174.700 0.070 0.000 0.993 521 T CA -0.391 61.711 62.100 0.002 0.000 0.967 521 T CB 1.459 70.308 68.868 -0.032 0.000 0.960 521 T HN 0.669 nan 8.240 nan 0.000 0.441 522 Y N 0.106 120.414 120.300 0.013 0.000 2.677 522 Y HA 0.928 5.477 4.550 -0.001 0.000 0.334 522 Y C -0.395 175.487 175.900 -0.031 0.000 1.154 522 Y CA -1.540 56.538 58.100 -0.036 0.000 1.070 522 Y CB 1.209 39.650 38.460 -0.031 0.000 1.294 522 Y HN 0.916 nan 8.280 nan 0.000 0.475 523 G N -0.139 108.791 108.800 0.216 0.000 2.632 523 G HA2 0.510 4.469 3.960 -0.001 0.000 0.292 523 G HA3 0.510 4.469 3.960 -0.001 0.000 0.292 523 G C -1.700 173.284 174.900 0.139 0.000 1.465 523 G CA -0.587 44.605 45.100 0.154 0.000 0.824 523 G HN 1.100 nan 8.290 nan 0.000 0.509 524 T N -1.285 113.368 114.554 0.166 0.000 2.797 524 T HA 0.744 5.094 4.350 -0.001 0.000 0.279 524 T C -0.782 174.037 174.700 0.198 0.000 0.991 524 T CA -0.767 61.372 62.100 0.065 0.000 0.979 524 T CB 1.017 69.905 68.868 0.034 0.000 0.943 524 T HN 1.456 nan 8.240 nan 0.000 0.444 525 F N 0.983 120.916 119.950 -0.028 0.000 2.831 525 F HA 0.654 5.180 4.527 -0.001 0.000 0.346 525 F C -0.728 175.029 175.800 -0.070 0.000 1.224 525 F CA -2.407 55.608 58.000 0.024 0.000 1.048 525 F CB -0.077 38.964 39.000 0.069 0.000 1.339 525 F HN 0.534 nan 8.300 nan 0.000 0.514 526 F N 2.107 122.020 119.950 -0.061 0.000 2.384 526 F HA -0.015 4.511 4.527 -0.001 0.000 0.281 526 F C 0.104 175.917 175.800 0.022 0.000 0.890 526 F CA 0.887 58.783 58.000 -0.173 0.000 1.128 526 F CB 0.204 38.902 39.000 -0.503 0.000 0.888 526 F HN 0.823 nan 8.300 nan 0.000 0.641 527 W N 3.468 124.742 121.300 -0.043 0.000 3.425 527 W HA 0.512 5.171 4.660 -0.001 0.000 0.318 527 W C -1.644 174.921 176.519 0.078 0.000 1.201 527 W CA -1.199 56.174 57.345 0.048 0.000 1.212 527 W CB 1.197 30.728 29.460 0.118 0.000 1.355 527 W HN 0.438 nan 8.180 nan 0.000 0.515 528 K N 3.423 123.406 120.400 -0.696 0.000 2.385 528 K HA 0.845 5.164 4.320 -0.001 0.000 0.248 528 K C -0.730 175.111 176.600 -1.265 0.000 0.955 528 K CA -0.970 54.909 56.287 -0.680 0.000 0.816 528 K CB 2.028 34.500 32.500 -0.047 0.000 1.250 528 K HN 0.706 nan 8.250 nan 0.000 0.434 529 G N 2.439 110.755 108.800 -0.807 0.000 2.719 529 G HA2 0.317 4.276 3.960 -0.001 0.000 0.298 529 G HA3 0.317 4.276 3.960 -0.001 0.000 0.298 529 G C -1.805 173.170 174.900 0.126 0.000 1.433 529 G CA -0.559 44.364 45.100 -0.295 0.000 1.034 529 G HN 0.471 nan 8.290 nan 0.000 0.517 530 K N 2.121 122.552 120.400 0.052 0.000 2.316 530 K HA 0.588 4.907 4.320 -0.001 0.000 0.267 530 K C -1.439 175.058 176.600 -0.172 0.000 1.025 530 K CA -0.748 55.523 56.287 -0.028 0.000 0.896 530 K CB 1.254 33.716 32.500 -0.064 0.000 1.124 530 K HN 0.295 nan 8.250 nan 0.000 0.451 531 L N 4.329 125.348 121.223 -0.339 0.000 2.376 531 L HA 0.438 4.778 4.340 -0.001 0.000 0.275 531 L C -0.939 175.732 176.870 -0.332 0.000 0.987 531 L CA -0.028 54.470 54.840 -0.569 0.000 0.828 531 L CB 1.839 43.105 42.059 -1.321 0.000 1.249 531 L HN 0.736 nan 8.230 nan 0.000 0.409 532 T N 2.909 117.308 114.554 -0.258 0.000 2.829 532 T HA 0.836 5.185 4.350 -0.001 0.000 0.280 532 T C -0.311 174.274 174.700 -0.192 0.000 0.999 532 T CA -0.724 61.271 62.100 -0.176 0.000 0.983 532 T CB 1.275 70.080 68.868 -0.105 0.000 0.968 532 T HN 0.540 nan 8.240 nan 0.000 0.446 533 M N 2.168 121.675 119.600 -0.155 0.000 2.501 533 M HA 0.571 5.050 4.480 -0.001 0.000 0.293 533 M C -0.745 175.512 176.300 -0.071 0.000 1.192 533 M CA -0.914 54.304 55.300 -0.137 0.000 0.886 533 M CB 3.207 35.736 32.600 -0.117 0.000 1.710 533 M HN 0.501 nan 8.290 nan 0.000 0.457 534 R N 0.951 121.432 120.500 -0.031 0.000 2.532 534 R HA 0.898 5.238 4.340 -0.001 0.000 0.297 534 R C -1.339 175.033 176.300 0.121 0.000 0.984 534 R CA -0.664 55.465 56.100 0.050 0.000 0.884 534 R CB 2.285 32.621 30.300 0.060 0.000 1.182 534 R HN 0.863 nan 8.270 nan 0.000 0.442 535 A N 2.248 125.142 122.820 0.123 0.000 2.532 535 A HA 0.696 5.015 4.320 -0.001 0.000 0.290 535 A C -1.403 176.148 177.584 -0.055 0.000 1.143 535 A CA -0.767 51.309 52.037 0.065 0.000 0.728 535 A CB 1.830 20.833 19.000 0.005 0.000 1.317 535 A HN 0.526 nan 8.150 nan 0.000 0.414 536 K N -0.026 120.222 120.400 -0.254 0.000 2.118 536 K HA 0.717 5.036 4.320 -0.001 0.000 0.254 536 K C -1.345 175.090 176.600 -0.275 0.000 0.961 536 K CA -0.362 55.611 56.287 -0.523 0.000 0.876 536 K CB 1.022 33.082 32.500 -0.733 0.000 1.077 536 K HN 0.548 nan 8.250 nan 0.000 0.440 537 L N 5.270 126.333 121.223 -0.267 0.000 2.265 537 L HA 0.433 4.773 4.340 -0.001 0.000 0.288 537 L C 0.480 177.262 176.870 -0.146 0.000 1.058 537 L CA -0.850 53.903 54.840 -0.144 0.000 0.809 537 L CB 1.050 43.047 42.059 -0.104 0.000 1.179 537 L HN 0.722 nan 8.230 nan 0.000 0.429 538 R N 2.954 123.392 120.500 -0.103 0.000 2.734 538 R HA 0.532 4.871 4.340 -0.001 0.000 0.266 538 R C -0.176 176.083 176.300 -0.069 0.000 1.044 538 R CA -0.257 55.795 56.100 -0.080 0.000 1.128 538 R CB 0.528 30.796 30.300 -0.054 0.000 1.010 538 R HN 0.591 nan 8.270 nan 0.000 0.461 539 A N 1.392 124.177 122.820 -0.057 0.000 2.247 539 A HA 0.311 4.630 4.320 -0.001 0.000 0.313 539 A C -0.606 176.960 177.584 -0.029 0.000 1.109 539 A CA -0.829 51.181 52.037 -0.045 0.000 0.890 539 A CB 0.852 19.829 19.000 -0.039 0.000 1.239 539 A HN 0.959 nan 8.150 nan 0.000 0.506 540 N N -0.953 117.732 118.700 -0.025 0.000 2.640 540 N HA 0.222 4.962 4.740 -0.001 0.000 0.262 540 N C 0.008 175.517 175.510 -0.002 0.000 1.174 540 N CA 0.329 53.369 53.050 -0.017 0.000 0.791 540 N CB 1.171 39.637 38.487 -0.035 0.000 1.279 540 N HN 0.583 nan 8.380 nan 0.000 0.535 541 T N 0.251 114.815 114.554 0.017 0.000 3.051 541 T HA 0.000 4.349 4.350 -0.001 0.000 0.255 541 T C 1.331 176.073 174.700 0.069 0.000 1.085 541 T CA 1.406 63.527 62.100 0.034 0.000 1.109 541 T CB 0.008 68.894 68.868 0.029 0.000 0.921 541 T HN 0.635 nan 8.240 nan 0.000 0.488 542 T N -1.908 112.696 114.554 0.083 0.000 3.332 542 T HA 0.163 4.512 4.350 -0.001 0.000 0.367 542 T C 0.751 175.565 174.700 0.191 0.000 1.244 542 T CA 0.072 62.256 62.100 0.140 0.000 0.977 542 T CB 0.362 69.315 68.868 0.141 0.000 1.784 542 T HN 0.447 nan 8.240 nan 0.000 0.553 543 W N 1.324 122.639 121.300 0.025 0.000 4.084 543 W HA 0.203 4.862 4.660 -0.001 0.000 0.203 543 W C -0.321 176.208 176.519 0.018 0.000 1.101 543 W CA 0.204 57.560 57.345 0.018 0.000 1.673 543 W CB -0.376 29.093 29.460 0.016 0.000 0.705 543 W HN 0.814 nan 8.180 nan 0.000 0.897 544 N N 3.288 122.225 118.700 0.394 0.000 2.497 544 N HA 0.262 5.001 4.740 -0.001 0.000 0.271 544 N C -2.338 173.243 175.510 0.119 0.000 1.142 544 N CA -0.791 52.419 53.050 0.266 0.000 0.965 544 N CB 0.525 39.150 38.487 0.229 0.000 1.077 544 N HN -0.206 nan 8.380 nan 0.000 0.462 545 P HA 0.019 nan 4.420 nan 0.000 0.278 545 P C -0.378 176.974 177.300 0.087 0.000 1.270 545 P CA -0.486 62.643 63.100 0.048 0.000 0.800 545 P CB 0.380 32.100 31.700 0.034 0.000 1.142 546 V N -2.580 117.395 119.914 0.101 0.000 3.206 546 V HA 0.471 4.590 4.120 -0.001 0.000 0.305 546 V C -1.253 174.973 176.094 0.220 0.000 1.257 546 V CA -1.060 61.334 62.300 0.156 0.000 1.057 546 V CB 1.666 33.581 31.823 0.153 0.000 1.075 546 V HN 0.397 nan 8.190 nan 0.000 0.443 547 Y N 3.280 123.632 120.300 0.086 0.000 2.480 547 Y HA 0.593 5.143 4.550 -0.001 0.000 0.338 547 Y C 0.026 175.970 175.900 0.074 0.000 1.220 547 Y CA -0.394 57.752 58.100 0.078 0.000 1.430 547 Y CB 0.671 39.186 38.460 0.093 0.000 1.311 547 Y HN 0.868 nan 8.280 nan 0.000 0.575 548 Q N 2.726 122.689 119.800 0.272 0.000 2.707 548 Q HA 0.442 4.782 4.340 -0.001 0.000 0.307 548 Q C -1.580 174.267 176.000 -0.255 0.000 0.934 548 Q CA -1.089 54.613 55.803 -0.168 0.000 0.753 548 Q CB 1.635 30.390 28.738 0.028 0.000 1.478 548 Q HN 0.383 nan 8.270 nan 0.000 0.458 549 V N 0.712 120.525 119.914 -0.167 0.000 2.465 549 V HA 0.636 4.756 4.120 -0.001 0.000 0.279 549 V C -0.024 176.090 176.094 0.032 0.000 1.045 549 V CA 0.026 62.295 62.300 -0.050 0.000 0.938 549 V CB 1.340 33.139 31.823 -0.041 0.000 0.986 549 V HN 0.715 nan 8.190 nan 0.000 0.467 550 S N 2.813 118.572 115.700 0.098 0.000 2.671 550 S HA 0.780 5.249 4.470 -0.001 0.000 0.277 550 S C -1.298 173.360 174.600 0.096 0.000 1.165 550 S CA -0.461 57.785 58.200 0.078 0.000 0.822 550 S CB 2.198 65.462 63.200 0.106 0.000 1.150 550 S HN 0.399 nan 8.310 nan 0.000 0.479 551 V N 2.687 122.642 119.914 0.067 0.000 2.380 551 V HA 0.470 4.589 4.120 -0.001 0.000 0.286 551 V C -0.100 176.061 176.094 0.112 0.000 1.015 551 V CA -0.687 61.674 62.300 0.101 0.000 0.834 551 V CB 1.405 33.237 31.823 0.016 0.000 1.009 551 V HN 0.738 nan 8.190 nan 0.000 0.428 552 E N 2.263 122.551 120.200 0.147 0.000 2.369 552 E HA 0.204 4.554 4.350 -0.001 0.000 0.255 552 E C 0.341 177.007 176.600 0.109 0.000 1.172 552 E CA -0.172 56.299 56.400 0.118 0.000 0.932 552 E CB 0.926 30.701 29.700 0.125 0.000 1.040 552 E HN 0.712 nan 8.360 nan 0.000 0.454 553 D N 0.608 121.059 120.400 0.085 0.000 1.525 553 D HA -0.136 4.503 4.640 -0.001 0.000 0.251 553 D C 0.376 176.726 176.300 0.084 0.000 1.128 553 D CA 1.064 55.108 54.000 0.073 0.000 0.971 553 D CB 0.151 40.986 40.800 0.058 0.000 1.662 553 D HN 0.393 nan 8.370 nan 0.000 0.512 554 N N -0.697 118.049 118.700 0.076 0.000 2.701 554 N HA 0.249 4.989 4.740 -0.001 0.000 0.258 554 N C -0.118 175.428 175.510 0.059 0.000 1.262 554 N CA -0.209 52.884 53.050 0.070 0.000 0.780 554 N CB 0.789 39.313 38.487 0.062 0.000 1.380 554 N HN 0.298 nan 8.380 nan 0.000 0.548 555 G N 1.665 110.503 108.800 0.063 0.000 2.598 555 G HA2 0.187 4.146 3.960 -0.001 0.000 0.225 555 G HA3 0.187 4.146 3.960 -0.001 0.000 0.225 555 G C 0.651 175.583 174.900 0.052 0.000 1.631 555 G CA 0.232 45.366 45.100 0.057 0.000 0.821 555 G HN 0.618 nan 8.290 nan 0.000 0.610 556 N N -1.096 117.641 118.700 0.062 0.000 1.856 556 N HA -0.015 4.724 4.740 -0.001 0.000 0.223 556 N C 0.056 175.615 175.510 0.082 0.000 1.438 556 N CA -0.036 53.049 53.050 0.059 0.000 0.693 556 N CB 0.741 39.261 38.487 0.055 0.000 1.051 556 N HN 0.307 nan 8.380 nan 0.000 0.563 557 S N 0.492 116.252 115.700 0.101 0.000 2.560 557 S HA 0.021 4.490 4.470 -0.001 0.000 0.284 557 S C 1.270 175.976 174.600 0.177 0.000 1.327 557 S CA -0.269 58.021 58.200 0.149 0.000 1.055 557 S CB 0.594 63.884 63.200 0.150 0.000 0.868 557 S HN 0.272 nan 8.310 nan 0.000 0.506 558 Y N 4.395 124.750 120.300 0.091 0.000 2.096 558 Y HA -0.173 4.376 4.550 -0.001 0.000 0.276 558 Y C 1.222 177.179 175.900 0.095 0.000 1.209 558 Y CA 1.912 60.061 58.100 0.083 0.000 1.137 558 Y CB -0.020 38.522 38.460 0.135 0.000 0.956 558 Y HN 0.614 nan 8.280 nan 0.000 0.506 559 M N 1.755 121.558 119.600 0.339 0.000 2.589 559 M HA 0.225 4.704 4.480 -0.001 0.000 0.340 559 M C -0.361 176.120 176.300 0.302 0.000 1.308 559 M CA 0.081 55.612 55.300 0.385 0.000 1.332 559 M CB -0.212 32.639 32.600 0.418 0.000 1.219 559 M HN 0.266 nan 8.290 nan 0.000 0.467 560 S N 0.856 116.727 115.700 0.286 0.000 2.689 560 S HA 0.434 4.903 4.470 -0.001 0.000 0.274 560 S C 0.402 175.166 174.600 0.273 0.000 1.176 560 S CA -0.871 57.464 58.200 0.224 0.000 1.014 560 S CB 1.445 64.720 63.200 0.124 0.000 1.071 560 S HN 0.310 nan 8.310 nan 0.000 0.478 561 V N 3.399 123.504 119.914 0.318 0.000 2.327 561 V HA -0.417 3.703 4.120 -0.001 0.000 0.237 561 V C 3.108 179.372 176.094 0.283 0.000 0.976 561 V CA 3.320 65.826 62.300 0.344 0.000 1.073 561 V CB -2.198 29.739 31.823 0.190 0.000 0.734 561 V HN 1.523 nan 8.190 nan 0.000 0.519 562 T N -1.747 112.904 114.554 0.162 0.000 3.265 562 T HA -0.513 3.836 4.350 -0.001 0.000 0.234 562 T C 1.528 176.263 174.700 0.058 0.000 1.003 562 T CA 2.730 64.889 62.100 0.098 0.000 1.183 562 T CB -0.998 67.906 68.868 0.059 0.000 0.780 562 T HN 0.574 nan 8.240 nan 0.000 0.524 563 K N -0.683 119.715 120.400 -0.004 0.000 2.152 563 K HA -0.075 4.244 4.320 -0.001 0.000 0.206 563 K C 2.190 178.624 176.600 -0.277 0.000 1.048 563 K CA 1.850 57.982 56.287 -0.258 0.000 0.933 563 K CB -0.129 31.999 32.500 -0.621 0.000 0.721 563 K HN 0.628 nan 8.250 nan 0.000 0.447 564 W N 0.792 122.106 121.300 0.024 0.000 3.008 564 W HA 0.163 4.822 4.660 -0.001 0.000 0.273 564 W C 0.691 177.251 176.519 0.068 0.000 1.012 564 W CA -0.250 57.127 57.345 0.053 0.000 1.885 564 W CB -0.704 28.794 29.460 0.063 0.000 1.150 564 W HN -0.110 nan 8.180 nan 0.000 0.564 565 L N 2.734 124.136 121.223 0.298 0.000 2.581 565 L HA -0.099 4.240 4.340 -0.001 0.000 0.299 565 L C -1.427 175.528 176.870 0.140 0.000 1.261 565 L CA -0.902 54.046 54.840 0.181 0.000 0.866 565 L CB -0.873 41.267 42.059 0.135 0.000 1.113 565 L HN -0.276 nan 8.230 nan 0.000 0.514 566 P HA 0.131 nan 4.420 nan 0.000 0.291 566 P C -0.421 176.941 177.300 0.103 0.000 1.287 566 P CA -0.213 62.962 63.100 0.126 0.000 0.767 566 P CB 0.358 32.136 31.700 0.130 0.000 1.290 567 T N -2.281 112.338 114.554 0.109 0.000 2.887 567 T HA 0.497 4.846 4.350 -0.001 0.000 0.292 567 T C 1.134 175.874 174.700 0.066 0.000 1.087 567 T CA 0.085 62.233 62.100 0.080 0.000 1.009 567 T CB 1.426 70.341 68.868 0.078 0.000 1.203 567 T HN 0.380 nan 8.240 nan 0.000 0.518 568 A N 1.507 124.356 122.820 0.047 0.000 1.887 568 A HA -0.262 4.057 4.320 -0.001 0.000 0.225 568 A C 2.263 179.869 177.584 0.036 0.000 1.464 568 A CA 3.418 55.476 52.037 0.035 0.000 0.717 568 A CB -2.161 16.855 19.000 0.026 0.000 0.848 568 A HN 1.080 nan 8.150 nan 0.000 0.477 569 T N -3.268 111.306 114.554 0.033 0.000 3.269 569 T HA 0.346 4.696 4.350 -0.001 0.000 0.216 569 T C 1.066 175.805 174.700 0.065 0.000 1.111 569 T CA 1.448 63.563 62.100 0.026 0.000 2.053 569 T CB -0.775 68.091 68.868 -0.004 0.000 1.224 569 T HN 1.854 nan 8.240 nan 0.000 0.352 570 G N 1.615 110.472 108.800 0.095 0.000 4.314 570 G HA2 0.295 4.254 3.960 -0.001 0.000 0.249 570 G HA3 0.295 4.254 3.960 -0.001 0.000 0.249 570 G C -0.800 174.353 174.900 0.421 0.000 3.443 570 G CA -0.716 44.517 45.100 0.223 0.000 0.602 570 G HN 0.555 nan 8.290 nan 0.000 0.241 571 N N 0.709 119.646 118.700 0.395 0.000 2.491 571 N HA 0.785 5.524 4.740 -0.001 0.000 0.279 571 N C -0.094 175.740 175.510 0.540 0.000 1.236 571 N CA -0.198 53.347 53.050 0.826 0.000 0.982 571 N CB 1.261 39.939 38.487 0.319 0.000 1.194 571 N HN 0.181 nan 8.380 nan 0.000 0.582 572 M N 1.118 120.843 119.600 0.209 0.000 2.333 572 M HA 0.184 4.664 4.480 -0.001 0.000 0.286 572 M C -1.202 174.961 176.300 -0.229 0.000 1.113 572 M CA -0.376 54.759 55.300 -0.275 0.000 0.959 572 M CB 2.056 34.139 32.600 -0.862 0.000 1.776 572 M HN 0.394 nan 8.290 nan 0.000 0.492 573 Q N 1.224 121.002 119.800 -0.037 0.000 2.204 573 Q HA 0.816 5.155 4.340 -0.001 0.000 0.254 573 Q C -0.252 175.742 176.000 -0.010 0.000 0.981 573 Q CA -0.751 55.032 55.803 -0.033 0.000 0.897 573 Q CB 2.528 31.172 28.738 -0.156 0.000 1.273 573 Q HN 0.739 nan 8.270 nan 0.000 0.464 574 S N -0.531 115.116 115.700 -0.088 0.000 2.614 574 S HA 0.626 5.096 4.470 -0.001 0.000 0.288 574 S C -0.990 173.450 174.600 -0.266 0.000 1.137 574 S CA -0.730 57.392 58.200 -0.131 0.000 0.992 574 S CB 1.271 64.372 63.200 -0.164 0.000 1.026 574 S HN 0.284 nan 8.310 nan 0.000 0.486 575 V N 3.922 123.664 119.914 -0.287 0.000 2.448 575 V HA 0.560 4.680 4.120 -0.001 0.000 0.295 575 V C -2.433 173.573 176.094 -0.146 0.000 1.025 575 V CA -2.206 59.897 62.300 -0.327 0.000 0.859 575 V CB 1.623 33.053 31.823 -0.655 0.000 0.988 575 V HN 0.791 nan 8.190 nan 0.000 0.431 576 P HA 0.209 nan 4.420 nan 0.000 0.264 576 P C -0.758 176.635 177.300 0.154 0.000 1.193 576 P CA 0.329 63.350 63.100 -0.132 0.000 0.763 576 P CB 0.534 32.124 31.700 -0.183 0.000 0.810 577 L N 2.965 124.370 121.223 0.302 0.000 2.304 577 L HA 0.530 4.870 4.340 -0.001 0.000 0.268 577 L C 0.759 177.988 176.870 0.599 0.000 1.010 577 L CA -1.392 53.733 54.840 0.475 0.000 0.813 577 L CB 0.971 43.314 42.059 0.473 0.000 1.315 577 L HN 0.184 nan 8.230 nan 0.000 0.445 578 I N 0.454 121.346 120.570 0.537 0.000 2.395 578 I HA 0.173 4.343 4.170 -0.001 0.000 0.289 578 I C -0.303 176.068 176.117 0.423 0.000 1.023 578 I CA 0.257 61.854 61.300 0.495 0.000 1.350 578 I CB 1.232 39.344 38.000 0.187 0.000 1.409 578 I HN 0.509 nan 8.210 nan 0.000 0.507 579 T N 7.167 121.983 114.554 0.436 0.000 2.963 579 T HA 0.480 4.830 4.350 -0.001 0.000 0.328 579 T C 0.278 175.048 174.700 0.117 0.000 1.048 579 T CA -0.432 61.791 62.100 0.204 0.000 1.033 579 T CB 0.390 69.413 68.868 0.258 0.000 1.010 579 T HN 0.674 nan 8.240 nan 0.000 0.469 580 R N 0.968 121.494 120.500 0.042 0.000 2.547 580 R HA -0.037 4.303 4.340 -0.001 0.000 0.125 580 R C -3.015 173.367 176.300 0.138 0.000 0.487 580 R CA -0.435 55.719 56.100 0.092 0.000 0.844 580 R CB -0.903 29.480 30.300 0.138 0.000 0.943 580 R HN 0.341 nan 8.270 nan 0.000 0.588 581 P HA 0.141 nan 4.420 nan 0.000 0.262 581 P C -0.708 176.711 177.300 0.199 0.000 1.455 581 P CA 0.695 63.762 63.100 -0.055 0.000 1.217 581 P CB 0.341 31.823 31.700 -0.363 0.000 1.625 582 V N 1.087 121.386 119.914 0.642 0.000 2.715 582 V HA 0.234 4.353 4.120 -0.001 0.000 0.243 582 V C 0.436 176.499 176.094 -0.051 0.000 1.832 582 V CA -1.126 61.396 62.300 0.369 0.000 0.819 582 V CB 0.169 32.091 31.823 0.164 0.000 1.319 582 V HN 0.531 nan 8.190 nan 0.000 0.495 583 A N 3.601 126.335 122.820 -0.143 0.000 2.363 583 A HA 0.647 4.967 4.320 -0.001 0.000 0.291 583 A C 0.928 178.451 177.584 -0.102 0.000 1.210 583 A CA 1.387 53.322 52.037 -0.171 0.000 0.892 583 A CB 0.159 19.262 19.000 0.172 0.000 1.121 583 A HN 1.220 nan 8.150 nan 0.000 0.522 584 R N -1.478 118.988 120.500 -0.056 0.000 2.436 584 R HA 0.016 4.355 4.340 -0.001 0.000 0.209 584 R C -0.283 175.956 176.300 -0.101 0.000 0.593 584 R CA 0.399 56.460 56.100 -0.065 0.000 0.818 584 R CB -0.462 29.795 30.300 -0.072 0.000 1.400 584 R HN 0.963 nan 8.270 nan 0.000 0.523 585 N N 1.029 119.654 118.700 -0.126 0.000 2.750 585 N HA -0.198 4.541 4.740 -0.001 0.000 0.307 585 N C 0.405 175.798 175.510 -0.195 0.000 1.174 585 N CA 1.274 54.208 53.050 -0.194 0.000 0.751 585 N CB 0.208 38.647 38.487 -0.080 0.000 1.005 585 N HN 0.243 nan 8.380 nan 0.000 0.570 586 T N 2.169 116.561 114.554 -0.270 0.000 2.643 586 T HA -0.128 4.221 4.350 -0.001 0.000 0.264 586 T C 0.604 175.280 174.700 -0.040 0.000 1.045 586 T CA 1.523 63.538 62.100 -0.140 0.000 1.155 586 T CB -0.256 68.522 68.868 -0.150 0.000 0.863 586 T HN 0.586 nan 8.240 nan 0.000 0.420 587 Y N 0.000 120.196 120.300 -0.174 0.000 2.660 587 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 587 Y CA 0.000 58.037 58.100 -0.106 0.000 1.940 587 Y CB 0.000 38.413 38.460 -0.078 0.000 1.050 587 Y HN 0.000 nan 8.280 nan 0.000 0.758