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 2cn2_1_C DATA FIRST_RESID 33 DATA SEQUENCE VTSVPYKWDN VVIGGGGGFX PGIVFNETEK DLIYARADIG GAYRWDPSTE DATA SEQUENCE TWIPLLDHFQ XDEYSYYGVE SIATDPVDPN RVYIVAGXYT NDWLPNXGAI DATA SEQUENCE LRSTDRGETW EKTILPFKXG GNXPGRSXGE RLAIDPNDNR ILYLGTRCGN DATA SEQUENCE GLWRSTDYGV TWSKVESFPN PGTXXXXXXX XXXXXIIGVV WVVFDKSSST DATA SEQUENCE PGNPTKTIYV GVADKNESIY RSTDGGVTWK AVPGQPKGLL PHHGVLASNG DATA SEQUENCE XLYITYGDXX XXXXXXGKGQ VWKFNTRTGE WIDITPIPYS SSDNRFCFAG DATA SEQUENCE LAVDRQNPDI IXVTSXNAWW PDEYIFRSTD GGATWKNIWE WGXYPERILH DATA SEQUENCE YEIDISAAPW LDWGTEKQLP EINPKLGWXI GDIEIDPFNS DRXXYVTGAT DATA SEQUENCE IYGCDNLTDW DRGGKVKIEV KATGIEECAV LDLVSPPEGA PLVSAVGDLV DATA SEQUENCE GFVHDDLKVG PKKXHVPSYS SGTGIDYAEL VPNFXALVAK AXXXXVKKIS DATA SEQUENCE FSYDGGRNWF QPPNEAPNSV GGGSVAVAAD AKSVIWTPEN ASPAVTTDNG DATA SEQUENCE NSWKVCTNLG XGAVVASDRV NGKKFYAFYN GKFYISTDGG LTFTDTKAPQ DATA SEQUENCE LPKSVNKIKA VPGKEGHVWL AAREGGLWRS TDGGYTFEKL SNVDTAHVVG DATA SEQUENCE FGKAAPGQDY XAIYITGKID NVLGFFRSDD AGKTWVRIND DEHGYGAVDT DATA SEQUENCE AITGDPRVYG RVYIATNGRG IVYGEPAS 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 33 V HA 0.000 nan 4.120 nan 0.000 0.244 33 V C 0.000 176.180 176.094 0.143 0.000 1.182 33 V CA 0.000 62.385 62.300 0.142 0.000 1.235 33 V CB 0.000 31.935 31.823 0.187 0.000 1.184 34 T N 3.161 117.802 114.554 0.145 0.000 2.912 34 T HA 0.828 5.178 4.350 -0.000 0.000 0.280 34 T C 0.012 174.790 174.700 0.131 0.000 0.989 34 T CA -0.525 61.647 62.100 0.119 0.000 0.995 34 T CB 1.777 70.704 68.868 0.098 0.000 1.077 34 T HN 0.855 nan 8.240 nan 0.000 0.531 35 S N 0.110 115.870 115.700 0.100 0.000 2.568 35 S HA 0.724 5.194 4.470 -0.000 0.000 0.302 35 S C -0.353 174.311 174.600 0.107 0.000 1.082 35 S CA -0.796 57.458 58.200 0.089 0.000 1.009 35 S CB 1.448 64.685 63.200 0.061 0.000 1.069 35 S HN 1.034 nan 8.310 nan 0.000 0.500 36 V N 0.365 120.358 119.914 0.132 0.000 2.604 36 V HA 0.722 4.842 4.120 -0.000 0.000 0.305 36 V C -2.794 173.446 176.094 0.244 0.000 1.043 36 V CA -2.730 59.677 62.300 0.178 0.000 0.888 36 V CB 1.295 33.251 31.823 0.222 0.000 0.995 36 V HN 0.679 nan 8.190 nan 0.000 0.429 37 P HA 0.333 nan 4.420 nan 0.000 0.271 37 P C -1.622 175.826 177.300 0.246 0.000 1.220 37 P CA 0.327 63.539 63.100 0.187 0.000 0.768 37 P CB 0.391 32.148 31.700 0.095 0.000 0.848 38 Y N 1.181 121.473 120.300 -0.014 0.000 2.536 38 Y HA 0.407 4.957 4.550 -0.000 0.000 0.347 38 Y C 0.743 176.484 175.900 -0.264 0.000 1.000 38 Y CA -0.970 57.018 58.100 -0.187 0.000 1.051 38 Y CB 2.432 40.745 38.460 -0.246 0.000 1.259 38 Y HN 0.263 nan 8.280 nan 0.000 0.468 39 K N 2.538 122.725 120.400 -0.356 0.000 2.211 39 K HA 0.375 4.695 4.320 -0.000 0.000 0.275 39 K C -1.777 174.477 176.600 -0.577 0.000 1.024 39 K CA -0.241 55.848 56.287 -0.330 0.000 0.887 39 K CB 0.641 32.976 32.500 -0.275 0.000 1.084 39 K HN 0.612 nan 8.250 nan 0.000 0.463 40 W N 2.872 124.039 121.300 -0.222 0.000 2.606 40 W HA 0.391 5.051 4.660 -0.000 0.000 0.332 40 W C -0.309 176.132 176.519 -0.130 0.000 1.052 40 W CA -0.153 57.084 57.345 -0.180 0.000 1.223 40 W CB 1.747 31.159 29.460 -0.080 0.000 1.383 40 W HN 0.592 nan 8.180 nan 0.000 0.524 41 D N 0.507 120.913 120.400 0.011 0.000 2.671 41 D HA 0.159 4.799 4.640 -0.000 0.000 0.273 41 D C -1.186 175.153 176.300 0.065 0.000 1.264 41 D CA -0.656 53.354 54.000 0.016 0.000 0.788 41 D CB 1.478 42.206 40.800 -0.120 0.000 1.324 41 D HN 0.187 nan 8.370 nan 0.000 0.424 42 N N 0.324 119.119 118.700 0.158 0.000 2.488 42 N HA 0.197 4.937 4.740 -0.000 0.000 0.274 42 N C -0.332 175.358 175.510 0.300 0.000 1.111 42 N CA -0.164 52.995 53.050 0.182 0.000 0.974 42 N CB 1.298 39.876 38.487 0.152 0.000 1.089 42 N HN 0.147 nan 8.380 nan 0.000 0.465 43 V N 2.667 122.749 119.914 0.281 0.000 2.540 43 V HA -0.029 4.091 4.120 -0.000 0.000 0.297 43 V C 0.675 176.796 176.094 0.046 0.000 1.024 43 V CA -0.247 62.100 62.300 0.079 0.000 1.105 43 V CB 0.503 32.253 31.823 -0.123 0.000 0.938 43 V HN 0.268 nan 8.190 nan 0.000 0.482 44 V N 7.390 127.341 119.914 0.062 0.000 2.405 44 V HA 0.171 4.291 4.120 -0.000 0.000 0.264 44 V C 1.023 177.140 176.094 0.038 0.000 1.048 44 V CA 0.257 62.598 62.300 0.068 0.000 0.966 44 V CB 0.584 32.449 31.823 0.070 0.000 1.015 44 V HN 0.760 nan 8.190 nan 0.000 0.477 45 I N 3.299 123.870 120.570 0.001 0.000 2.731 45 I HA 0.330 4.500 4.170 -0.000 0.000 0.260 45 I C 1.252 177.370 176.117 0.003 0.000 1.138 45 I CA 1.056 62.261 61.300 -0.158 0.000 1.461 45 I CB -0.059 37.824 38.000 -0.194 0.000 1.128 45 I HN 0.881 nan 8.210 nan 0.000 0.438 46 G N 0.164 109.035 108.800 0.118 0.000 2.785 46 G HA2 0.123 4.083 3.960 -0.000 0.000 0.686 46 G HA3 0.123 4.083 3.960 -0.000 0.000 0.686 46 G C 0.548 175.627 174.900 0.299 0.000 1.155 46 G CA -0.531 44.675 45.100 0.177 0.000 0.760 46 G HN 0.863 nan 8.290 nan 0.000 0.624 47 G N -0.253 108.636 108.800 0.148 0.000 2.160 47 G HA2 0.333 4.293 3.960 -0.000 0.000 0.251 47 G HA3 0.333 4.293 3.960 -0.000 0.000 0.251 47 G C 1.724 176.711 174.900 0.145 0.000 1.008 47 G CA 0.958 46.108 45.100 0.083 0.000 0.724 47 G HN 3.225 nan 8.290 nan 0.000 0.514 48 G N -0.788 108.091 108.800 0.132 0.000 5.353 48 G HA2 0.246 4.206 3.960 -0.000 0.000 0.283 48 G HA3 0.246 4.206 3.960 -0.000 0.000 0.283 48 G C 1.551 176.547 174.900 0.161 0.000 1.457 48 G CA 2.051 47.197 45.100 0.077 0.000 0.951 48 G HN 2.568 nan 8.290 nan 0.000 0.731 49 G N -0.656 108.310 108.800 0.276 0.000 2.194 49 G HA2 0.346 4.306 3.960 -0.000 0.000 0.236 49 G HA3 0.346 4.306 3.960 -0.000 0.000 0.236 49 G C 1.496 176.511 174.900 0.191 0.000 0.987 49 G CA 1.069 46.282 45.100 0.189 0.000 0.635 49 G HN 2.417 nan 8.290 nan 0.000 0.520 50 G N -1.199 107.720 108.800 0.199 0.000 3.135 50 G HA2 0.731 4.690 3.960 -0.000 0.000 0.278 50 G HA3 0.731 4.690 3.960 -0.000 0.000 0.278 50 G C -0.812 174.256 174.900 0.281 0.000 1.302 50 G CA -0.313 44.927 45.100 0.233 0.000 0.880 50 G HN 0.689 nan 8.290 nan 0.000 0.574 54 G N 0.403 109.133 108.800 -0.117 0.000 2.746 54 G HA2 0.685 4.645 3.960 -0.000 0.000 0.297 54 G HA3 0.685 4.645 3.960 -0.000 0.000 0.297 54 G C -1.671 173.235 174.900 0.009 0.000 1.426 54 G CA -0.449 44.660 45.100 0.016 0.000 0.989 54 G HN 0.031 nan 8.290 nan 0.000 0.520 55 I N 0.973 121.578 120.570 0.059 0.000 2.465 55 I HA 0.495 4.665 4.170 -0.000 0.000 0.291 55 I C -0.607 175.594 176.117 0.139 0.000 1.014 55 I CA -1.129 60.209 61.300 0.063 0.000 1.093 55 I CB 2.514 40.546 38.000 0.053 0.000 1.267 55 I HN 0.162 nan 8.210 nan 0.000 0.431 56 V N 6.448 126.463 119.914 0.170 0.000 2.409 56 V HA 0.374 4.494 4.120 -0.000 0.000 0.290 56 V C -0.478 175.754 176.094 0.231 0.000 1.017 56 V CA -0.600 61.845 62.300 0.242 0.000 0.841 56 V CB 1.300 33.283 31.823 0.267 0.000 1.003 56 V HN 0.380 nan 8.190 nan 0.000 0.426 57 F N 3.226 123.307 119.950 0.219 0.000 2.399 57 F HA 0.308 4.835 4.527 -0.000 0.000 0.342 57 F C 1.104 177.051 175.800 0.245 0.000 1.106 57 F CA 0.060 58.186 58.000 0.210 0.000 1.196 57 F CB 0.746 39.840 39.000 0.155 0.000 1.163 57 F HN 0.474 nan 8.300 nan 0.000 0.547 58 N N 2.873 121.844 118.700 0.451 0.000 2.513 58 N HA -0.044 4.696 4.740 -0.000 0.000 0.268 58 N C 0.732 176.485 175.510 0.405 0.000 1.180 58 N CA 0.019 53.301 53.050 0.387 0.000 0.948 58 N CB 0.850 39.539 38.487 0.337 0.000 1.083 58 N HN 0.625 nan 8.380 nan 0.000 0.455 59 E N 1.463 121.849 120.200 0.309 0.000 2.274 59 E HA -0.089 4.261 4.350 -0.000 0.000 0.194 59 E C 1.147 177.917 176.600 0.282 0.000 0.996 59 E CA 1.200 57.737 56.400 0.229 0.000 0.840 59 E CB 0.172 29.965 29.700 0.154 0.000 0.772 59 E HN 0.814 nan 8.360 nan 0.000 0.491 60 T N -2.780 112.001 114.554 0.379 0.000 2.986 60 T HA 0.127 4.477 4.350 -0.000 0.000 0.264 60 T C 0.440 175.380 174.700 0.400 0.000 0.964 60 T CA -0.342 62.018 62.100 0.433 0.000 0.895 60 T CB 0.451 69.462 68.868 0.237 0.000 1.163 60 T HN -0.153 nan 8.240 nan 0.000 0.517 61 E N 2.242 122.606 120.200 0.272 0.000 2.114 61 E HA 0.392 4.742 4.350 -0.000 0.000 0.266 61 E C -0.410 176.101 176.600 -0.148 0.000 0.896 61 E CA -0.575 55.838 56.400 0.023 0.000 0.750 61 E CB 1.094 30.844 29.700 0.084 0.000 1.121 61 E HN 0.317 nan 8.360 nan 0.000 0.413 62 K N 3.557 123.563 120.400 -0.657 0.000 2.448 62 K HA -0.008 4.312 4.320 -0.000 0.000 0.278 62 K C -0.492 176.013 176.600 -0.159 0.000 1.009 62 K CA 0.367 56.243 56.287 -0.684 0.000 0.995 62 K CB 0.342 32.322 32.500 -0.866 0.000 0.917 62 K HN 0.613 nan 8.250 nan 0.000 0.481 63 D N 0.969 121.390 120.400 0.034 0.000 3.076 63 D HA -0.212 4.428 4.640 -0.000 0.000 0.218 63 D C -0.701 175.671 176.300 0.120 0.000 1.156 63 D CA 0.789 54.867 54.000 0.130 0.000 0.921 63 D CB -0.830 40.036 40.800 0.110 0.000 1.113 63 D HN 0.284 nan 8.370 nan 0.000 0.418 64 L N 1.287 122.563 121.223 0.088 0.000 2.262 64 L HA 0.507 4.847 4.340 -0.000 0.000 0.288 64 L C -0.311 176.546 176.870 -0.021 0.000 1.035 64 L CA -0.313 54.540 54.840 0.021 0.000 0.820 64 L CB 0.589 42.690 42.059 0.069 0.000 1.204 64 L HN 0.034 nan 8.230 nan 0.000 0.424 65 I N 4.305 124.749 120.570 -0.211 0.000 2.769 65 I HA 0.448 4.618 4.170 -0.000 0.000 0.298 65 I C -1.273 174.750 176.117 -0.158 0.000 1.128 65 I CA -0.772 60.365 61.300 -0.271 0.000 1.031 65 I CB 2.036 39.650 38.000 -0.642 0.000 1.235 65 I HN 0.358 nan 8.210 nan 0.000 0.423 66 Y N 2.434 122.894 120.300 0.266 0.000 2.570 66 Y HA 0.840 5.390 4.550 -0.000 0.000 0.345 66 Y C -0.014 176.048 175.900 0.271 0.000 1.014 66 Y CA -0.926 57.408 58.100 0.391 0.000 1.063 66 Y CB 2.325 40.948 38.460 0.271 0.000 1.272 66 Y HN 0.655 nan 8.280 nan 0.000 0.477 67 A N 2.221 125.232 122.820 0.319 0.000 2.449 67 A HA 0.854 5.174 4.320 -0.000 0.000 0.302 67 A C -1.200 176.434 177.584 0.084 0.000 1.048 67 A CA -1.055 50.961 52.037 -0.034 0.000 0.708 67 A CB 1.383 19.989 19.000 -0.657 0.000 1.274 67 A HN 0.810 nan 8.150 nan 0.000 0.410 68 R N 1.233 121.743 120.500 0.017 0.000 2.637 68 R HA 0.853 5.193 4.340 -0.000 0.000 0.291 68 R C -0.361 175.915 176.300 -0.040 0.000 0.963 68 R CA -0.348 55.765 56.100 0.021 0.000 0.901 68 R CB 1.894 32.199 30.300 0.008 0.000 1.160 68 R HN 0.858 nan 8.270 nan 0.000 0.457 69 A N 1.451 124.271 122.820 0.001 0.000 2.330 69 A HA 0.314 4.634 4.320 -0.000 0.000 0.329 69 A C -0.048 177.509 177.584 -0.045 0.000 1.135 69 A CA -0.720 51.309 52.037 -0.013 0.000 0.817 69 A CB 1.202 20.265 19.000 0.106 0.000 1.269 69 A HN 0.937 nan 8.150 nan 0.000 0.469 70 D N 0.164 120.533 120.400 -0.051 0.000 2.194 70 D HA -0.108 4.532 4.640 -0.000 0.000 0.204 70 D C 1.020 177.300 176.300 -0.034 0.000 0.964 70 D CA 1.712 55.691 54.000 -0.036 0.000 0.846 70 D CB -0.229 40.591 40.800 0.035 0.000 0.962 70 D HN 0.578 nan 8.370 nan 0.000 0.490 71 I N -4.871 115.717 120.570 0.030 0.000 4.338 71 I HA 0.542 4.712 4.170 -0.000 0.000 0.329 71 I C 1.083 177.262 176.117 0.102 0.000 1.378 71 I CA -0.334 60.985 61.300 0.032 0.000 1.170 71 I CB 1.153 39.228 38.000 0.125 0.000 1.206 71 I HN -0.022 nan 8.210 nan 0.000 0.432 72 G N 0.806 109.690 108.800 0.141 0.000 4.379 72 G HA2 0.586 4.545 3.960 -0.000 0.000 0.290 72 G HA3 0.586 4.545 3.960 -0.000 0.000 0.290 72 G C 0.569 175.642 174.900 0.289 0.000 1.065 72 G CA 0.108 45.339 45.100 0.218 0.000 0.833 72 G HN 0.747 nan 8.290 nan 0.000 0.512 73 G N -0.086 108.866 108.800 0.253 0.000 2.525 73 G HA2 0.350 4.310 3.960 -0.000 0.000 0.248 73 G HA3 0.350 4.310 3.960 -0.000 0.000 0.248 73 G C 0.123 175.040 174.900 0.029 0.000 1.238 73 G CA -0.010 45.159 45.100 0.114 0.000 0.926 73 G HN 1.718 nan 8.290 nan 0.000 0.574 74 A N -1.491 121.294 122.820 -0.059 0.000 2.556 74 A HA 0.897 5.217 4.320 -0.000 0.000 0.294 74 A C -1.291 176.278 177.584 -0.024 0.000 1.091 74 A CA -0.390 51.680 52.037 0.055 0.000 0.704 74 A CB 1.469 20.521 19.000 0.087 0.000 1.300 74 A HN 1.507 nan 8.150 nan 0.000 0.406 75 Y N -0.266 120.193 120.300 0.265 0.000 2.545 75 Y HA 0.684 5.234 4.550 -0.000 0.000 0.348 75 Y C 0.292 176.524 175.900 0.554 0.000 1.002 75 Y CA -0.588 57.742 58.100 0.382 0.000 1.039 75 Y CB 2.156 40.819 38.460 0.337 0.000 1.271 75 Y HN 0.781 nan 8.280 nan 0.000 0.467 76 R N 2.378 123.250 120.500 0.620 0.000 2.514 76 R HA 0.201 4.540 4.340 -0.000 0.000 0.301 76 R C -1.052 175.416 176.300 0.281 0.000 0.962 76 R CA -0.642 55.636 56.100 0.296 0.000 0.882 76 R CB 1.091 31.435 30.300 0.074 0.000 1.143 76 R HN 0.904 nan 8.270 nan 0.000 0.452 77 W N 4.988 126.119 121.300 -0.281 0.000 2.216 77 W HA 0.038 4.698 4.660 -0.000 0.000 0.326 77 W C -0.848 175.440 176.519 -0.384 0.000 1.319 77 W CA 0.234 57.165 57.345 -0.690 0.000 1.213 77 W CB 0.942 29.827 29.460 -0.958 0.000 1.171 77 W HN 0.532 nan 8.180 nan 0.000 0.557 78 D N 8.133 127.951 120.400 -0.970 0.000 2.460 78 D HA 0.203 4.843 4.640 -0.000 0.000 0.232 78 D C -1.349 174.288 176.300 -1.105 0.000 1.079 78 D CA -2.485 51.062 54.000 -0.756 0.000 0.864 78 D CB 1.573 42.088 40.800 -0.475 0.000 1.048 78 D HN 0.108 nan 8.370 nan 0.000 0.523 79 P HA -0.118 nan 4.420 nan 0.000 0.226 79 P C 1.074 178.202 177.300 -0.287 0.000 1.153 79 P CA 0.608 63.457 63.100 -0.418 0.000 0.777 79 P CB 0.208 31.877 31.700 -0.053 0.000 0.794 80 S N -0.831 114.703 115.700 -0.276 0.000 2.489 80 S HA -0.027 4.443 4.470 -0.000 0.000 0.228 80 S C 1.578 176.064 174.600 -0.191 0.000 0.995 80 S CA 1.368 59.459 58.200 -0.181 0.000 0.934 80 S CB -1.365 61.751 63.200 -0.140 0.000 0.771 80 S HN 0.307 nan 8.310 nan 0.000 0.522 81 T N -2.215 112.166 114.554 -0.288 0.000 3.016 81 T HA 0.358 4.708 4.350 -0.000 0.000 0.271 81 T C 0.093 174.600 174.700 -0.322 0.000 0.968 81 T CA 0.022 61.974 62.100 -0.247 0.000 0.891 81 T CB -0.406 68.337 68.868 -0.209 0.000 1.149 81 T HN 0.371 nan 8.240 nan 0.000 0.524 82 E N 2.050 121.921 120.200 -0.549 0.000 2.360 82 E HA -0.176 4.174 4.350 -0.000 0.000 0.238 82 E C -0.220 175.911 176.600 -0.781 0.000 1.186 82 E CA 0.829 56.780 56.400 -0.749 0.000 0.719 82 E CB -1.974 27.641 29.700 -0.142 0.000 1.236 82 E HN 0.887 nan 8.360 nan 0.000 0.386 83 T N -3.726 110.283 114.554 -0.909 0.000 2.887 83 T HA 0.615 4.965 4.350 -0.000 0.000 0.292 83 T C -0.495 173.896 174.700 -0.515 0.000 1.087 83 T CA -0.925 60.897 62.100 -0.462 0.000 1.009 83 T CB 1.176 69.950 68.868 -0.156 0.000 1.203 83 T HN 0.233 nan 8.240 nan 0.000 0.518 84 W N 0.654 121.946 121.300 -0.014 0.000 2.417 84 W HA 0.667 5.327 4.660 -0.000 0.000 0.317 84 W C -0.242 176.419 176.519 0.238 0.000 1.121 84 W CA -1.042 56.390 57.345 0.144 0.000 1.208 84 W CB 0.941 30.454 29.460 0.088 0.000 1.253 84 W HN 0.523 nan 8.180 nan 0.000 0.533 85 I N 6.246 127.116 120.570 0.501 0.000 2.321 85 I HA 0.231 4.401 4.170 -0.000 0.000 0.291 85 I C -1.825 174.537 176.117 0.409 0.000 0.998 85 I CA -2.343 59.187 61.300 0.383 0.000 1.227 85 I CB 1.224 39.334 38.000 0.183 0.000 1.368 85 I HN -0.007 nan 8.210 nan 0.000 0.466 86 P HA 0.124 nan 4.420 nan 0.000 0.271 86 P C 0.097 177.398 177.300 0.002 0.000 1.216 86 P CA -0.020 62.969 63.100 -0.184 0.000 0.771 86 P CB 1.385 33.053 31.700 -0.053 0.000 0.864 87 L N 2.261 123.480 121.223 -0.006 0.000 2.609 87 L HA 0.224 4.564 4.340 -0.000 0.000 0.230 87 L C 1.599 178.588 176.870 0.198 0.000 1.087 87 L CA 0.404 55.369 54.840 0.209 0.000 0.874 87 L CB 0.028 42.330 42.059 0.406 0.000 1.114 87 L HN 0.308 nan 8.230 nan 0.000 0.488 88 L N -0.792 120.421 121.223 -0.017 0.000 3.014 88 L HA 0.172 4.512 4.340 -0.000 0.000 0.263 88 L C 0.707 177.390 176.870 -0.312 0.000 1.207 88 L CA -0.198 54.508 54.840 -0.222 0.000 1.017 88 L CB 0.278 42.146 42.059 -0.317 0.000 1.360 88 L HN 0.029 nan 8.230 nan 0.000 0.560 89 D N 0.162 120.504 120.400 -0.096 0.000 2.351 89 D HA -0.165 4.475 4.640 -0.000 0.000 0.216 89 D C 1.829 177.944 176.300 -0.308 0.000 0.968 89 D CA 1.088 55.014 54.000 -0.122 0.000 0.899 89 D CB -0.003 40.649 40.800 -0.247 0.000 0.907 89 D HN 0.607 nan 8.370 nan 0.000 0.514 90 H N -1.052 117.789 119.070 -0.382 0.000 2.489 90 H HA -0.053 4.503 4.556 -0.000 0.000 0.293 90 H C 0.263 175.415 175.328 -0.295 0.000 1.066 90 H CA 0.184 55.992 56.048 -0.399 0.000 1.305 90 H CB -0.657 28.846 29.762 -0.430 0.000 1.386 90 H HN -0.076 nan 8.280 nan 0.000 0.551 91 F N 3.236 122.784 119.950 -0.671 0.000 2.571 91 F HA 0.071 4.598 4.527 -0.000 0.000 0.384 91 F C 0.878 176.659 175.800 -0.031 0.000 1.058 91 F CA -0.127 57.637 58.000 -0.394 0.000 1.200 91 F CB 0.379 39.034 39.000 -0.574 0.000 1.077 91 F HN 0.295 nan 8.300 nan 0.000 0.558 95 E N -0.176 120.033 120.200 0.015 0.000 2.887 95 E HA 0.085 4.434 4.350 -0.000 0.000 0.206 95 E C 0.320 176.821 176.600 -0.164 0.000 0.983 95 E CA -0.469 55.828 56.400 -0.171 0.000 1.141 95 E CB 0.477 30.163 29.700 -0.024 0.000 1.061 95 E HN 0.112 nan 8.360 nan 0.000 0.468 96 Y N 1.467 121.724 120.300 -0.071 0.000 2.241 96 Y HA -0.309 4.240 4.550 -0.000 0.000 0.286 96 Y C 2.363 178.245 175.900 -0.030 0.000 1.166 96 Y CA 1.935 60.077 58.100 0.069 0.000 1.203 96 Y CB -0.262 38.203 38.460 0.008 0.000 0.977 96 Y HN 0.088 nan 8.280 nan 0.000 0.529 97 S N -0.706 114.716 115.700 -0.463 0.000 2.387 97 S HA -0.238 4.232 4.470 -0.000 0.000 0.230 97 S C 1.613 175.879 174.600 -0.558 0.000 1.035 97 S CA 1.542 59.385 58.200 -0.595 0.000 1.014 97 S CB -0.692 62.166 63.200 -0.569 0.000 0.836 97 S HN 0.600 nan 8.310 nan 0.000 0.466 98 Y N 0.180 120.099 120.300 -0.634 0.000 2.578 98 Y HA 0.166 4.716 4.550 -0.000 0.000 0.297 98 Y C 1.300 176.721 175.900 -0.798 0.000 1.176 98 Y CA -0.549 57.012 58.100 -0.898 0.000 1.315 98 Y CB -1.144 36.321 38.460 -1.658 0.000 1.031 98 Y HN 0.420 nan 8.280 nan 0.000 0.524 99 Y N -0.528 119.542 120.300 -0.383 0.000 2.544 99 Y HA 0.168 4.717 4.550 -0.000 0.000 0.286 99 Y C 1.905 177.654 175.900 -0.251 0.000 1.141 99 Y CA 0.071 58.028 58.100 -0.238 0.000 1.299 99 Y CB -0.083 38.282 38.460 -0.158 0.000 1.030 99 Y HN -0.018 nan 8.280 nan 0.000 0.543 100 G N 0.957 109.625 108.800 -0.221 0.000 2.444 100 G HA2 0.367 4.327 3.960 -0.000 0.000 0.303 100 G HA3 0.367 4.327 3.960 -0.000 0.000 0.303 100 G C -0.790 174.004 174.900 -0.177 0.000 1.032 100 G CA -0.230 44.735 45.100 -0.226 0.000 1.137 100 G HN -0.020 nan 8.290 nan 0.000 0.430 101 V N 3.339 123.177 119.914 -0.127 0.000 2.288 101 V HA 0.123 4.243 4.120 -0.000 0.000 0.266 101 V C 1.221 177.263 176.094 -0.088 0.000 1.048 101 V CA -0.349 61.883 62.300 -0.112 0.000 0.842 101 V CB 0.895 32.668 31.823 -0.083 0.000 1.064 101 V HN 0.958 nan 8.190 nan 0.000 0.472 102 E N 3.547 123.692 120.200 -0.093 0.000 2.110 102 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 102 E C 0.909 177.492 176.600 -0.027 0.000 0.988 102 E CA 1.232 57.593 56.400 -0.065 0.000 0.804 102 E CB 0.272 29.926 29.700 -0.077 0.000 0.745 102 E HN 0.654 nan 8.360 nan 0.000 0.458 103 S N -1.461 114.227 115.700 -0.020 0.000 2.552 103 S HA 0.497 4.967 4.470 -0.000 0.000 0.272 103 S C -1.792 172.833 174.600 0.041 0.000 1.150 103 S CA -0.869 57.350 58.200 0.031 0.000 0.849 103 S CB 0.880 64.110 63.200 0.051 0.000 1.113 103 S HN 0.236 nan 8.310 nan 0.000 0.458 104 I N 2.607 123.228 120.570 0.084 0.000 2.647 104 I HA 0.842 5.012 4.170 -0.000 0.000 0.295 104 I C -0.980 175.219 176.117 0.137 0.000 1.078 104 I CA -0.565 60.789 61.300 0.090 0.000 1.048 104 I CB 1.815 39.853 38.000 0.064 0.000 1.239 104 I HN 0.834 nan 8.210 nan 0.000 0.421 105 A N 4.335 127.254 122.820 0.165 0.000 2.359 105 A HA 0.678 4.998 4.320 -0.000 0.000 0.303 105 A C -0.775 176.930 177.584 0.200 0.000 1.066 105 A CA -0.487 51.684 52.037 0.223 0.000 0.730 105 A CB 1.682 20.852 19.000 0.283 0.000 1.211 105 A HN 0.599 nan 8.150 nan 0.000 0.439 106 T N 1.195 115.865 114.554 0.194 0.000 2.792 106 T HA 0.377 4.727 4.350 -0.000 0.000 0.280 106 T C -0.910 173.938 174.700 0.246 0.000 0.990 106 T CA -0.462 61.753 62.100 0.191 0.000 0.960 106 T CB 0.647 69.692 68.868 0.295 0.000 0.939 106 T HN 0.634 nan 8.240 nan 0.000 0.439 107 D N 5.932 126.475 120.400 0.238 0.000 2.358 107 D HA 0.182 4.822 4.640 -0.000 0.000 0.258 107 D C -1.284 175.128 176.300 0.187 0.000 1.223 107 D CA -2.018 52.119 54.000 0.228 0.000 0.886 107 D CB 1.840 42.786 40.800 0.243 0.000 1.120 107 D HN 0.337 nan 8.370 nan 0.000 0.482 108 P HA -0.061 nan 4.420 nan 0.000 0.231 108 P C 1.353 178.727 177.300 0.124 0.000 1.168 108 P CA 0.164 63.356 63.100 0.153 0.000 0.779 108 P CB 0.683 32.465 31.700 0.137 0.000 0.844 109 V N 0.299 120.279 119.914 0.109 0.000 2.331 109 V HA -0.004 4.116 4.120 -0.000 0.000 0.242 109 V C 0.950 177.100 176.094 0.094 0.000 1.034 109 V CA 1.716 64.071 62.300 0.093 0.000 1.027 109 V CB -0.731 31.143 31.823 0.085 0.000 0.667 109 V HN 0.102 nan 8.190 nan 0.000 0.457 110 D N -0.499 119.965 120.400 0.107 0.000 2.420 110 D HA 0.290 4.930 4.640 -0.000 0.000 0.255 110 D C -2.241 174.111 176.300 0.087 0.000 1.185 110 D CA -2.274 51.774 54.000 0.080 0.000 0.904 110 D CB 1.861 42.698 40.800 0.061 0.000 1.102 110 D HN 0.077 nan 8.370 nan 0.000 0.534 111 P HA -0.030 nan 4.420 nan 0.000 0.231 111 P C 0.780 178.130 177.300 0.085 0.000 1.158 111 P CA 0.447 63.615 63.100 0.113 0.000 0.763 111 P CB 0.303 32.067 31.700 0.107 0.000 0.805 112 N N -0.469 118.248 118.700 0.028 0.000 2.396 112 N HA -0.043 4.697 4.740 -0.000 0.000 0.180 112 N C 0.671 176.134 175.510 -0.078 0.000 1.028 112 N CA 0.634 53.670 53.050 -0.023 0.000 0.893 112 N CB -0.179 38.275 38.487 -0.056 0.000 0.967 112 N HN 0.249 nan 8.380 nan 0.000 0.440 113 R N 0.382 120.845 120.500 -0.062 0.000 2.357 113 R HA 0.443 4.783 4.340 -0.000 0.000 0.296 113 R C -0.640 175.560 176.300 -0.168 0.000 1.052 113 R CA -0.252 55.745 56.100 -0.171 0.000 0.988 113 R CB 2.021 32.279 30.300 -0.070 0.000 1.025 113 R HN -0.179 nan 8.270 nan 0.000 0.469 114 V N 4.287 123.962 119.914 -0.399 0.000 3.012 114 V HA 0.541 4.661 4.120 -0.000 0.000 0.307 114 V C -1.861 174.037 176.094 -0.327 0.000 1.166 114 V CA -0.675 61.458 62.300 -0.278 0.000 0.974 114 V CB 1.938 33.557 31.823 -0.340 0.000 1.040 114 V HN 0.708 nan 8.190 nan 0.000 0.428 115 Y N 4.986 125.383 120.300 0.162 0.000 2.512 115 Y HA 0.744 5.294 4.550 -0.000 0.000 0.348 115 Y C -0.077 175.922 175.900 0.166 0.000 0.990 115 Y CA -0.838 57.419 58.100 0.262 0.000 1.033 115 Y CB 2.269 40.871 38.460 0.237 0.000 1.259 115 Y HN 0.489 nan 8.280 nan 0.000 0.461 116 I N 2.117 122.827 120.570 0.234 0.000 2.545 116 I HA 0.373 4.543 4.170 -0.000 0.000 0.292 116 I C -1.225 174.848 176.117 -0.074 0.000 1.040 116 I CA -1.137 60.159 61.300 -0.007 0.000 1.068 116 I CB 2.245 40.094 38.000 -0.252 0.000 1.251 116 I HN 0.321 nan 8.210 nan 0.000 0.424 117 V N 6.432 126.290 119.914 -0.093 0.000 2.364 117 V HA 0.769 4.889 4.120 -0.000 0.000 0.272 117 V C -0.003 175.975 176.094 -0.193 0.000 1.036 117 V CA -0.017 62.181 62.300 -0.170 0.000 0.880 117 V CB 1.006 32.740 31.823 -0.147 0.000 0.991 117 V HN 0.800 nan 8.190 nan 0.000 0.460 118 A N 4.984 127.647 122.820 -0.263 0.000 2.365 118 A HA 1.055 5.375 4.320 -0.000 0.000 0.318 118 A C 0.128 177.636 177.584 -0.128 0.000 1.091 118 A CA 0.101 51.989 52.037 -0.248 0.000 0.763 118 A CB 1.791 20.553 19.000 -0.397 0.000 1.248 118 A HN 2.020 nan 8.150 nan 0.000 0.442 122 T N -2.985 111.578 114.554 0.015 0.000 3.081 122 T HA 0.116 4.466 4.350 -0.000 0.000 0.250 122 T C 0.400 175.039 174.700 -0.102 0.000 1.100 122 T CA 0.666 62.739 62.100 -0.046 0.000 1.038 122 T CB -0.413 68.421 68.868 -0.055 0.000 0.962 122 T HN 0.585 nan 8.240 nan 0.000 0.516 123 N N 1.438 120.022 118.700 -0.194 0.000 2.531 123 N HA 0.231 4.971 4.740 -0.000 0.000 0.301 123 N C -0.053 175.346 175.510 -0.183 0.000 1.310 123 N CA -0.684 52.188 53.050 -0.297 0.000 0.949 123 N CB 0.107 38.201 38.487 -0.655 0.000 1.111 123 N HN -0.135 nan 8.380 nan 0.000 0.565 124 D N -2.022 118.270 120.400 -0.180 0.000 2.368 124 D HA 0.070 4.710 4.640 -0.000 0.000 0.218 124 D C 0.569 176.944 176.300 0.126 0.000 1.112 124 D CA -0.069 53.922 54.000 -0.015 0.000 0.834 124 D CB -0.210 40.592 40.800 0.003 0.000 0.953 124 D HN 0.440 nan 8.370 nan 0.000 0.505 125 W N 0.994 122.263 121.300 -0.052 0.000 2.350 125 W HA 0.047 4.707 4.660 -0.000 0.000 0.289 125 W C 0.777 177.308 176.519 0.020 0.000 1.215 125 W CA 0.342 57.640 57.345 -0.079 0.000 1.236 125 W CB -0.349 28.933 29.460 -0.297 0.000 1.130 125 W HN -0.042 nan 8.180 nan 0.000 0.541 126 L N 0.578 121.969 121.223 0.279 0.000 2.401 126 L HA 0.236 4.576 4.340 -0.000 0.000 0.266 126 L C -1.082 175.826 176.870 0.064 0.000 0.991 126 L CA -1.796 53.143 54.840 0.166 0.000 0.818 126 L CB 2.747 44.910 42.059 0.173 0.000 1.321 126 L HN -0.440 nan 8.230 nan 0.000 0.413 127 P HA -0.023 nan 4.420 nan 0.000 0.224 127 P C -0.025 177.246 177.300 -0.048 0.000 1.157 127 P CA 0.549 63.644 63.100 -0.008 0.000 0.799 127 P CB 0.194 31.892 31.700 -0.003 0.000 0.809 131 A N 0.347 122.921 122.820 -0.408 0.000 2.515 131 A HA 0.757 5.077 4.320 -0.000 0.000 0.298 131 A C -1.087 176.225 177.584 -0.454 0.000 1.059 131 A CA -0.613 51.121 52.037 -0.504 0.000 0.698 131 A CB 1.455 19.977 19.000 -0.797 0.000 1.289 131 A HN 0.766 nan 8.150 nan 0.000 0.404 132 I N 2.897 123.249 120.570 -0.363 0.000 2.312 132 I HA 0.277 4.447 4.170 -0.000 0.000 0.290 132 I C -0.334 175.765 176.117 -0.030 0.000 1.008 132 I CA -0.104 61.072 61.300 -0.205 0.000 1.226 132 I CB 0.561 38.450 38.000 -0.186 0.000 1.371 132 I HN 0.505 nan 8.210 nan 0.000 0.468 133 L N 7.509 128.715 121.223 -0.028 0.000 2.334 133 L HA 0.588 4.928 4.340 -0.000 0.000 0.277 133 L C 0.398 177.520 176.870 0.419 0.000 1.075 133 L CA -0.739 54.155 54.840 0.091 0.000 0.804 133 L CB 0.677 42.578 42.059 -0.264 0.000 1.174 133 L HN 0.623 nan 8.230 nan 0.000 0.438 134 R N 1.357 122.158 120.500 0.501 0.000 2.621 134 R HA 0.777 5.117 4.340 -0.000 0.000 0.284 134 R C -1.220 175.090 176.300 0.017 0.000 0.998 134 R CA -0.598 55.662 56.100 0.267 0.000 0.895 134 R CB 2.060 32.523 30.300 0.272 0.000 1.195 134 R HN 0.542 nan 8.270 nan 0.000 0.450 135 S N 0.280 115.733 115.700 -0.411 0.000 2.546 135 S HA 0.386 4.856 4.470 -0.000 0.000 0.274 135 S C -0.095 174.204 174.600 -0.502 0.000 1.121 135 S CA -0.374 57.437 58.200 -0.648 0.000 0.887 135 S CB 1.909 64.294 63.200 -1.358 0.000 1.094 135 S HN 0.748 nan 8.310 nan 0.000 0.474 136 T N -0.391 113.933 114.554 -0.384 0.000 3.132 136 T HA 0.278 4.628 4.350 -0.000 0.000 0.274 136 T C -0.238 174.319 174.700 -0.239 0.000 1.011 136 T CA -0.064 61.868 62.100 -0.281 0.000 0.899 136 T CB -0.297 68.439 68.868 -0.221 0.000 1.089 136 T HN 0.589 nan 8.240 nan 0.000 0.543 137 D N 0.905 121.130 120.400 -0.292 0.000 2.819 137 D HA 0.191 4.831 4.640 -0.000 0.000 0.326 137 D C 0.427 176.603 176.300 -0.207 0.000 1.408 137 D CA -0.818 53.048 54.000 -0.222 0.000 0.811 137 D CB -0.335 40.340 40.800 -0.208 0.000 1.148 137 D HN 0.256 nan 8.370 nan 0.000 0.457 138 R N -0.040 120.348 120.500 -0.188 0.000 3.651 138 R HA -0.119 4.221 4.340 -0.000 0.000 0.292 138 R C 1.029 177.270 176.300 -0.100 0.000 1.161 138 R CA 0.573 56.647 56.100 -0.044 0.000 0.787 138 R CB -2.297 28.039 30.300 0.061 0.000 1.249 138 R HN 0.643 nan 8.270 nan 0.000 0.476 139 G N -0.763 107.719 108.800 -0.529 0.000 2.175 139 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.244 139 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.244 139 G C 0.747 175.421 174.900 -0.377 0.000 0.982 139 G CA 0.329 45.043 45.100 -0.644 0.000 0.641 139 G HN 0.363 nan 8.290 nan 0.000 0.527 140 E N 0.322 120.319 120.200 -0.337 0.000 2.072 140 E HA 0.019 4.368 4.350 -0.000 0.000 0.191 140 E C 1.646 178.066 176.600 -0.299 0.000 0.985 140 E CA 1.826 58.096 56.400 -0.218 0.000 0.801 140 E CB -0.142 29.458 29.700 -0.167 0.000 0.750 140 E HN 0.913 nan 8.360 nan 0.000 0.452 141 T N -2.664 111.600 114.554 -0.485 0.000 2.906 141 T HA 0.556 4.906 4.350 -0.000 0.000 0.295 141 T C -1.095 173.218 174.700 -0.645 0.000 1.061 141 T CA -0.916 60.923 62.100 -0.435 0.000 1.000 141 T CB 1.384 70.084 68.868 -0.280 0.000 1.103 141 T HN 0.030 nan 8.240 nan 0.000 0.486 142 W N 0.296 121.433 121.300 -0.270 0.000 2.936 142 W HA 0.633 5.293 4.660 -0.000 0.000 0.338 142 W C -0.009 176.408 176.519 -0.171 0.000 1.121 142 W CA -0.697 56.525 57.345 -0.206 0.000 1.209 142 W CB 1.885 31.227 29.460 -0.198 0.000 1.420 142 W HN 0.734 nan 8.180 nan 0.000 0.516 143 E N 1.696 121.994 120.200 0.163 0.000 2.299 143 E HA 0.593 4.943 4.350 -0.000 0.000 0.260 143 E C -0.851 175.844 176.600 0.159 0.000 0.944 143 E CA -1.316 55.152 56.400 0.113 0.000 0.815 143 E CB 2.561 32.298 29.700 0.062 0.000 1.252 143 E HN 0.410 nan 8.360 nan 0.000 0.418 144 K N -0.474 119.988 120.400 0.102 0.000 2.508 144 K HA 0.551 4.871 4.320 -0.000 0.000 0.260 144 K C -1.279 175.348 176.600 0.045 0.000 0.949 144 K CA -0.776 55.545 56.287 0.058 0.000 0.834 144 K CB 1.996 34.481 32.500 -0.025 0.000 1.365 144 K HN 0.217 nan 8.250 nan 0.000 0.437 145 T N 2.793 117.364 114.554 0.028 0.000 2.786 145 T HA 0.364 4.714 4.350 -0.000 0.000 0.283 145 T C -0.076 174.566 174.700 -0.097 0.000 0.992 145 T CA -0.791 61.329 62.100 0.033 0.000 0.954 145 T CB 0.398 69.370 68.868 0.174 0.000 0.934 145 T HN 0.387 nan 8.240 nan 0.000 0.440 146 I N 4.198 124.714 120.570 -0.090 0.000 2.474 146 I HA 0.303 4.473 4.170 -0.000 0.000 0.287 146 I C 0.370 176.354 176.117 -0.222 0.000 1.048 146 I CA -0.422 60.784 61.300 -0.156 0.000 1.383 146 I CB 0.287 38.242 38.000 -0.075 0.000 1.412 146 I HN 0.490 nan 8.210 nan 0.000 0.531 147 L N 7.515 128.492 121.223 -0.410 0.000 2.358 147 L HA 0.431 4.771 4.340 -0.000 0.000 0.268 147 L C -1.523 174.997 176.870 -0.582 0.000 1.032 147 L CA -1.363 53.080 54.840 -0.662 0.000 0.805 147 L CB 1.221 42.508 42.059 -1.287 0.000 1.253 147 L HN 0.420 nan 8.230 nan 0.000 0.452 148 P HA 0.127 nan 4.420 nan 0.000 0.253 148 P C -0.982 176.251 177.300 -0.112 0.000 1.459 148 P CA 0.282 63.262 63.100 -0.199 0.000 0.908 148 P CB -0.283 31.441 31.700 0.040 0.000 1.470 149 F N -2.523 117.288 119.950 -0.232 0.000 2.779 149 F HA 0.636 5.162 4.527 -0.000 0.000 0.316 149 F C -0.384 175.293 175.800 -0.206 0.000 1.164 149 F CA -1.596 56.276 58.000 -0.213 0.000 0.924 149 F CB 0.954 39.790 39.000 -0.274 0.000 1.348 149 F HN -0.464 nan 8.300 nan 0.000 0.467 153 G N 0.641 109.357 108.800 -0.140 0.000 2.475 153 G HA2 -0.117 3.842 3.960 -0.000 0.000 0.220 153 G HA3 -0.117 3.842 3.960 -0.000 0.000 0.220 153 G C 0.808 175.644 174.900 -0.106 0.000 1.125 153 G CA 1.224 46.244 45.100 -0.132 0.000 0.755 153 G HN 0.605 nan 8.290 nan 0.000 0.565 157 G N 1.809 110.674 108.800 0.109 0.000 2.143 157 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.248 157 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.248 157 G C 1.017 175.953 174.900 0.059 0.000 0.991 157 G CA 0.776 45.910 45.100 0.057 0.000 0.689 157 G HN 0.926 nan 8.290 nan 0.000 0.522 158 R N 0.506 121.080 120.500 0.124 0.000 2.193 158 R HA 0.051 4.390 4.340 -0.000 0.000 0.229 158 R C 1.725 178.066 176.300 0.068 0.000 1.110 158 R CA 1.509 57.660 56.100 0.085 0.000 0.988 158 R CB -0.584 29.774 30.300 0.097 0.000 0.871 158 R HN 0.940 nan 8.270 nan 0.000 0.458 162 E N 0.184 120.566 120.200 0.303 0.000 2.259 162 E HA 0.305 4.655 4.350 -0.000 0.000 0.281 162 E C 1.096 177.840 176.600 0.241 0.000 1.027 162 E CA -0.487 56.058 56.400 0.241 0.000 0.838 162 E CB 2.059 31.896 29.700 0.228 0.000 1.066 162 E HN 0.525 nan 8.360 nan 0.000 0.401 163 R N 1.014 121.610 120.500 0.160 0.000 2.148 163 R HA -0.038 4.302 4.340 -0.000 0.000 0.227 163 R C 0.599 176.982 176.300 0.138 0.000 1.103 163 R CA 0.477 56.644 56.100 0.112 0.000 0.983 163 R CB 0.057 30.379 30.300 0.037 0.000 0.874 163 R HN 0.185 nan 8.270 nan 0.000 0.451 164 L N 0.373 121.693 121.223 0.161 0.000 2.282 164 L HA 0.525 4.865 4.340 -0.000 0.000 0.288 164 L C -1.029 176.004 176.870 0.272 0.000 1.033 164 L CA -0.388 54.574 54.840 0.204 0.000 0.807 164 L CB 1.577 43.729 42.059 0.156 0.000 1.209 164 L HN -0.013 nan 8.230 nan 0.000 0.423 165 A N 5.619 128.652 122.820 0.354 0.000 2.520 165 A HA 0.782 5.102 4.320 -0.000 0.000 0.298 165 A C -1.297 176.582 177.584 0.492 0.000 1.051 165 A CA -0.489 51.817 52.037 0.449 0.000 0.690 165 A CB 1.035 20.360 19.000 0.541 0.000 1.281 165 A HN 0.604 nan 8.150 nan 0.000 0.402 166 I N 1.576 122.348 120.570 0.337 0.000 2.377 166 I HA 0.238 4.408 4.170 -0.000 0.000 0.293 166 I C -0.240 175.692 176.117 -0.309 0.000 0.987 166 I CA -0.599 60.755 61.300 0.090 0.000 1.185 166 I CB 1.706 39.767 38.000 0.102 0.000 1.341 166 I HN 0.656 nan 8.210 nan 0.000 0.455 167 D N 8.959 128.976 120.400 -0.640 0.000 2.451 167 D HA 0.016 4.656 4.640 -0.000 0.000 0.254 167 D C -1.570 174.421 176.300 -0.514 0.000 1.204 167 D CA -1.435 51.874 54.000 -1.153 0.000 0.896 167 D CB 1.276 41.736 40.800 -0.567 0.000 1.136 167 D HN 0.269 nan 8.370 nan 0.000 0.499 168 P HA 0.005 nan 4.420 nan 0.000 0.245 168 P C 0.169 177.428 177.300 -0.069 0.000 1.212 168 P CA 0.616 63.636 63.100 -0.133 0.000 0.774 168 P CB 0.466 32.142 31.700 -0.040 0.000 0.999 169 N N -0.745 117.897 118.700 -0.096 0.000 2.545 169 N HA 0.005 4.745 4.740 -0.000 0.000 0.190 169 N C 0.209 175.694 175.510 -0.042 0.000 1.043 169 N CA 0.202 53.228 53.050 -0.039 0.000 0.879 169 N CB 0.216 38.694 38.487 -0.015 0.000 1.210 169 N HN -0.088 nan 8.380 nan 0.000 0.437 170 D N 0.424 120.776 120.400 -0.080 0.000 2.438 170 D HA 0.076 4.716 4.640 -0.000 0.000 0.257 170 D C -0.165 176.062 176.300 -0.123 0.000 1.148 170 D CA -0.401 53.551 54.000 -0.080 0.000 0.902 170 D CB 0.025 40.780 40.800 -0.074 0.000 1.062 170 D HN 0.155 nan 8.370 nan 0.000 0.518 171 N N 2.975 121.635 118.700 -0.067 0.000 2.609 171 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 171 N C 1.088 176.505 175.510 -0.155 0.000 1.157 171 N CA 0.199 53.232 53.050 -0.029 0.000 0.918 171 N CB -0.107 38.454 38.487 0.124 0.000 0.978 171 N HN 0.343 nan 8.380 nan 0.000 0.448 172 R N -0.079 120.152 120.500 -0.447 0.000 2.152 172 R HA 0.147 4.487 4.340 -0.000 0.000 0.232 172 R C 0.342 176.345 176.300 -0.496 0.000 1.117 172 R CA 0.632 56.207 56.100 -0.875 0.000 0.981 172 R CB -0.043 29.831 30.300 -0.710 0.000 0.870 172 R HN 0.294 nan 8.270 nan 0.000 0.451 173 I N 1.730 122.118 120.570 -0.304 0.000 2.331 173 I HA 0.190 4.360 4.170 -0.000 0.000 0.292 173 I C -0.757 175.273 176.117 -0.145 0.000 0.998 173 I CA -0.559 60.607 61.300 -0.224 0.000 1.267 173 I CB 1.236 39.188 38.000 -0.080 0.000 1.386 173 I HN -0.117 nan 8.210 nan 0.000 0.476 174 L N 7.053 128.142 121.223 -0.222 0.000 2.381 174 L HA 0.517 4.856 4.340 -0.000 0.000 0.268 174 L C -0.999 175.881 176.870 0.016 0.000 0.997 174 L CA -0.361 54.461 54.840 -0.030 0.000 0.818 174 L CB 1.724 43.686 42.059 -0.162 0.000 1.310 174 L HN 0.316 nan 8.230 nan 0.000 0.416 175 Y N 2.212 122.714 120.300 0.337 0.000 2.509 175 Y HA 0.748 5.298 4.550 -0.000 0.000 0.341 175 Y C -0.683 175.436 175.900 0.366 0.000 1.038 175 Y CA -0.765 57.535 58.100 0.333 0.000 1.089 175 Y CB 2.199 40.766 38.460 0.179 0.000 1.241 175 Y HN 0.373 nan 8.280 nan 0.000 0.468 176 L N 2.001 123.515 121.223 0.486 0.000 2.441 176 L HA 0.735 5.075 4.340 -0.000 0.000 0.270 176 L C -0.319 176.613 176.870 0.104 0.000 0.973 176 L CA -0.232 54.747 54.840 0.231 0.000 0.842 176 L CB 1.378 43.453 42.059 0.026 0.000 1.239 176 L HN 0.677 nan 8.230 nan 0.000 0.406 177 G N 2.485 111.287 108.800 0.003 0.000 2.403 177 G HA2 0.500 4.459 3.960 -0.000 0.000 0.259 177 G HA3 0.500 4.459 3.960 -0.000 0.000 0.259 177 G C -0.203 174.630 174.900 -0.112 0.000 1.244 177 G CA 0.370 45.406 45.100 -0.106 0.000 0.849 177 G HN 0.788 nan 8.290 nan 0.000 0.532 178 T N -0.191 114.259 114.554 -0.173 0.000 2.930 178 T HA 0.689 5.039 4.350 -0.000 0.000 0.290 178 T C 0.247 174.820 174.700 -0.211 0.000 1.052 178 T CA -0.974 60.979 62.100 -0.244 0.000 1.017 178 T CB 2.048 70.577 68.868 -0.566 0.000 1.137 178 T HN 0.558 nan 8.240 nan 0.000 0.511 179 R N -0.598 119.785 120.500 -0.195 0.000 2.541 179 R HA 0.585 4.925 4.340 -0.000 0.000 0.254 179 R C 0.229 176.428 176.300 -0.169 0.000 1.130 179 R CA -0.473 55.541 56.100 -0.144 0.000 1.152 179 R CB 0.255 30.499 30.300 -0.094 0.000 1.222 179 R HN 0.929 nan 8.270 nan 0.000 0.579 180 C N -0.200 119.030 119.300 -0.116 0.000 4.417 180 C HA -0.123 4.337 4.460 -0.000 0.000 0.284 180 C C 1.215 176.143 174.990 -0.104 0.000 1.379 180 C CA 0.613 59.571 59.018 -0.101 0.000 1.918 180 C CB -2.464 25.220 27.740 -0.093 0.000 1.280 180 C HN 1.280 nan 8.230 nan 0.000 0.783 181 G N -0.049 108.686 108.800 -0.108 0.000 2.148 181 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.254 181 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.254 181 G C 0.266 175.108 174.900 -0.097 0.000 0.981 181 G CA 0.749 45.797 45.100 -0.087 0.000 0.670 181 G HN 0.742 nan 8.290 nan 0.000 0.528 182 N N 0.454 119.046 118.700 -0.180 0.000 2.515 182 N HA 0.389 5.129 4.740 -0.000 0.000 0.185 182 N C 1.784 177.286 175.510 -0.013 0.000 1.109 182 N CA 1.291 54.226 53.050 -0.192 0.000 0.903 182 N CB 0.072 38.143 38.487 -0.694 0.000 0.969 182 N HN 1.396 nan 8.380 nan 0.000 0.450 183 G N 0.829 109.588 108.800 -0.068 0.000 2.512 183 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.254 183 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.254 183 G C -0.758 174.104 174.900 -0.064 0.000 1.199 183 G CA -0.276 44.800 45.100 -0.040 0.000 0.941 183 G HN 0.219 nan 8.290 nan 0.000 0.569 184 L N -0.206 120.930 121.223 -0.145 0.000 2.322 184 L HA 0.853 5.193 4.340 -0.000 0.000 0.281 184 L C -0.768 176.144 176.870 0.070 0.000 1.014 184 L CA -0.743 53.979 54.840 -0.197 0.000 0.815 184 L CB 1.170 42.751 42.059 -0.797 0.000 1.247 184 L HN 0.632 nan 8.230 nan 0.000 0.421 185 W N 4.822 126.129 121.300 0.010 0.000 2.736 185 W HA 0.770 5.430 4.660 -0.000 0.000 0.355 185 W C -0.352 176.334 176.519 0.279 0.000 1.102 185 W CA -0.602 56.852 57.345 0.182 0.000 1.164 185 W CB 1.346 30.971 29.460 0.275 0.000 1.422 185 W HN 0.441 nan 8.180 nan 0.000 0.572 186 R N 1.095 121.840 120.500 0.410 0.000 2.668 186 R HA 0.620 4.960 4.340 -0.000 0.000 0.272 186 R C -1.399 174.654 176.300 -0.412 0.000 1.019 186 R CA -0.491 55.541 56.100 -0.115 0.000 0.894 186 R CB 2.122 32.143 30.300 -0.465 0.000 1.228 186 R HN 0.419 nan 8.270 nan 0.000 0.460 187 S N 0.204 115.334 115.700 -0.950 0.000 2.513 187 S HA 0.386 4.856 4.470 -0.000 0.000 0.299 187 S C 0.062 174.293 174.600 -0.615 0.000 1.087 187 S CA -0.305 57.284 58.200 -1.017 0.000 1.012 187 S CB 1.607 63.794 63.200 -1.687 0.000 1.044 187 S HN 0.692 nan 8.310 nan 0.000 0.485 188 T N -0.303 113.987 114.554 -0.440 0.000 3.145 188 T HA 0.268 4.618 4.350 -0.000 0.000 0.281 188 T C -0.350 174.157 174.700 -0.322 0.000 1.003 188 T CA -0.227 61.671 62.100 -0.336 0.000 0.901 188 T CB -0.242 68.485 68.868 -0.234 0.000 1.112 188 T HN 0.592 nan 8.240 nan 0.000 0.535 189 D N 0.238 120.451 120.400 -0.311 0.000 2.957 189 D HA 0.133 4.773 4.640 -0.000 0.000 0.352 189 D C -0.484 175.807 176.300 -0.015 0.000 1.352 189 D CA -1.109 52.785 54.000 -0.177 0.000 0.831 189 D CB -1.140 39.617 40.800 -0.072 0.000 1.147 189 D HN 0.292 nan 8.370 nan 0.000 0.467 190 Y N 0.608 120.845 120.300 -0.104 0.000 3.389 190 Y HA -0.099 4.451 4.550 -0.000 0.000 0.213 190 Y C 1.753 177.682 175.900 0.048 0.000 1.272 190 Y CA 0.759 58.862 58.100 0.004 0.000 1.444 190 Y CB -1.915 36.622 38.460 0.129 0.000 1.445 190 Y HN 0.559 nan 8.280 nan 0.000 0.583 191 G N -2.248 106.476 108.800 -0.126 0.000 2.168 191 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.263 191 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.263 191 G C 0.896 175.922 174.900 0.209 0.000 0.977 191 G CA 0.371 45.455 45.100 -0.027 0.000 0.659 191 G HN 0.609 nan 8.290 nan 0.000 0.533 192 V N 0.755 120.722 119.914 0.089 0.000 2.283 192 V HA 0.114 4.234 4.120 -0.000 0.000 0.243 192 V C 1.885 178.059 176.094 0.133 0.000 1.039 192 V CA 2.526 64.910 62.300 0.140 0.000 1.016 192 V CB -0.471 31.414 31.823 0.104 0.000 0.650 192 V HN 1.056 nan 8.190 nan 0.000 0.449 193 T N -3.221 111.320 114.554 -0.023 0.000 2.908 193 T HA 0.586 4.936 4.350 -0.000 0.000 0.290 193 T C -1.478 173.126 174.700 -0.161 0.000 1.034 193 T CA -0.621 61.502 62.100 0.038 0.000 1.010 193 T CB 2.023 70.906 68.868 0.025 0.000 1.068 193 T HN 0.232 nan 8.240 nan 0.000 0.481 194 W N 1.030 122.402 121.300 0.119 0.000 3.022 194 W HA 0.642 5.302 4.660 -0.000 0.000 0.335 194 W C -0.245 176.446 176.519 0.286 0.000 1.133 194 W CA -0.413 57.058 57.345 0.210 0.000 1.219 194 W CB 2.440 32.065 29.460 0.276 0.000 1.409 194 W HN 1.093 nan 8.180 nan 0.000 0.507 195 S N 1.040 116.965 115.700 0.375 0.000 2.618 195 S HA 0.613 5.083 4.470 -0.000 0.000 0.277 195 S C -1.059 173.226 174.600 -0.526 0.000 1.138 195 S CA -1.284 56.895 58.200 -0.033 0.000 0.844 195 S CB 2.052 65.200 63.200 -0.087 0.000 1.127 195 S HN 0.418 nan 8.310 nan 0.000 0.474 196 K N 0.785 120.431 120.400 -1.256 0.000 2.326 196 K HA 0.394 4.714 4.320 -0.000 0.000 0.275 196 K C -0.849 175.416 176.600 -0.558 0.000 1.018 196 K CA -0.533 54.894 56.287 -1.434 0.000 0.962 196 K CB 0.496 32.236 32.500 -1.266 0.000 0.953 196 K HN 0.527 nan 8.250 nan 0.000 0.475 197 V N 5.893 125.590 119.914 -0.362 0.000 2.313 197 V HA 0.011 4.131 4.120 -0.000 0.000 0.252 197 V C 0.942 176.991 176.094 -0.076 0.000 1.112 197 V CA -0.100 62.146 62.300 -0.090 0.000 0.984 197 V CB 0.505 32.373 31.823 0.074 0.000 1.157 197 V HN 0.860 nan 8.190 nan 0.000 0.493 198 E N 2.478 122.629 120.200 -0.080 0.000 2.204 198 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 198 E C 2.217 178.819 176.600 0.003 0.000 0.990 198 E CA 1.444 57.807 56.400 -0.061 0.000 0.821 198 E CB 0.027 29.689 29.700 -0.064 0.000 0.750 198 E HN 0.839 nan 8.360 nan 0.000 0.477 199 S N 0.098 115.847 115.700 0.082 0.000 2.561 199 S HA -0.046 4.423 4.470 -0.000 0.000 0.225 199 S C 0.626 175.310 174.600 0.140 0.000 0.977 199 S CA -0.386 57.897 58.200 0.138 0.000 0.926 199 S CB -0.481 62.856 63.200 0.230 0.000 0.769 199 S HN 0.083 nan 8.310 nan 0.000 0.533 200 F N 3.986 123.844 119.950 -0.154 0.000 2.504 200 F HA 0.379 4.906 4.527 -0.000 0.000 0.369 200 F C -1.703 173.881 175.800 -0.360 0.000 1.082 200 F CA -2.299 55.417 58.000 -0.474 0.000 1.216 200 F CB 1.039 39.615 39.000 -0.707 0.000 1.108 200 F HN -0.004 nan 8.300 nan 0.000 0.554 201 P HA -0.052 nan 4.420 nan 0.000 0.222 201 P C -0.673 176.275 177.300 -0.587 0.000 1.153 201 P CA 0.931 63.647 63.100 -0.641 0.000 0.798 201 P CB 0.234 31.587 31.700 -0.579 0.000 0.796 202 N N -0.695 117.499 118.700 -0.844 0.000 2.558 202 N HA 0.162 4.902 4.740 -0.000 0.000 0.285 202 N C -2.386 173.026 175.510 -0.163 0.000 1.112 202 N CA -2.119 50.658 53.050 -0.454 0.000 0.857 202 N CB 1.278 39.471 38.487 -0.489 0.000 1.376 202 N HN -0.186 nan 8.380 nan 0.000 0.526 203 P HA 0.210 nan 4.420 nan 0.000 0.241 203 P C 0.203 177.470 177.300 -0.054 0.000 1.191 203 P CA 0.559 63.635 63.100 -0.040 0.000 0.771 203 P CB 0.085 31.755 31.700 -0.051 0.000 0.929 204 G N -0.050 108.720 108.800 -0.050 0.000 2.650 204 G HA2 0.022 3.982 3.960 -0.000 0.000 0.686 204 G HA3 0.022 3.982 3.960 -0.000 0.000 0.686 204 G C -0.291 174.589 174.900 -0.034 0.000 1.205 204 G CA -0.409 44.669 45.100 -0.037 0.000 0.781 204 G HN 0.395 nan 8.290 nan 0.000 0.648 219 I N 2.742 123.290 120.570 -0.037 0.000 2.208 219 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 219 I C 1.726 177.804 176.117 -0.066 0.000 1.097 219 I CA 2.465 63.740 61.300 -0.043 0.000 1.363 219 I CB -1.416 36.564 38.000 -0.032 0.000 1.051 219 I HN 0.943 nan 8.210 nan 0.000 0.413 220 G N 0.321 109.079 108.800 -0.070 0.000 2.499 220 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.232 220 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.232 220 G C -0.271 174.562 174.900 -0.111 0.000 1.251 220 G CA -0.187 44.858 45.100 -0.092 0.000 0.917 220 G HN 0.136 nan 8.290 nan 0.000 0.580 221 V N 1.709 121.534 119.914 -0.147 0.000 2.408 221 V HA 0.400 4.520 4.120 -0.000 0.000 0.267 221 V C 1.686 177.666 176.094 -0.190 0.000 1.047 221 V CA 0.421 62.597 62.300 -0.207 0.000 0.937 221 V CB 0.879 32.522 31.823 -0.301 0.000 0.999 221 V HN 1.546 nan 8.190 nan 0.000 0.472 222 V N 1.786 121.560 119.914 -0.232 0.000 3.263 222 V HA 0.385 4.504 4.120 -0.000 0.000 0.248 222 V C 0.310 176.428 176.094 0.040 0.000 1.145 222 V CA 0.144 62.371 62.300 -0.122 0.000 1.107 222 V CB -0.013 31.748 31.823 -0.103 0.000 0.797 222 V HN 0.856 nan 8.190 nan 0.000 0.467 223 W N -1.759 119.526 121.300 -0.026 0.000 3.275 223 W HA 0.766 5.426 4.660 0.000 0.000 0.306 223 W C -2.235 174.283 176.519 -0.003 0.000 1.259 223 W CA -1.078 56.275 57.345 0.013 0.000 1.194 223 W CB 1.115 30.607 29.460 0.054 0.000 1.375 223 W HN -0.230 nan 8.180 nan 0.000 0.564 224 V N 2.307 122.465 119.914 0.407 0.000 2.531 224 V HA 0.524 4.643 4.120 -0.000 0.000 0.301 224 V C -0.614 175.651 176.094 0.284 0.000 1.034 224 V CA -0.843 61.583 62.300 0.209 0.000 0.865 224 V CB 1.572 33.386 31.823 -0.016 0.000 0.995 224 V HN 0.401 nan 8.190 nan 0.000 0.424 225 V N 5.231 125.322 119.914 0.295 0.000 2.444 225 V HA 0.507 4.627 4.120 -0.000 0.000 0.294 225 V C -0.638 175.564 176.094 0.179 0.000 1.022 225 V CA -0.508 61.961 62.300 0.281 0.000 0.850 225 V CB 1.609 33.616 31.823 0.307 0.000 0.992 225 V HN 0.674 nan 8.190 nan 0.000 0.426 226 F N 2.541 122.643 119.950 0.253 0.000 2.396 226 F HA 0.336 4.862 4.527 -0.000 0.000 0.343 226 F C 0.763 176.694 175.800 0.219 0.000 1.104 226 F CA -0.275 57.853 58.000 0.214 0.000 1.161 226 F CB 0.815 39.915 39.000 0.166 0.000 1.146 226 F HN 0.424 nan 8.300 nan 0.000 0.522 227 D N 3.540 124.180 120.400 0.399 0.000 2.441 227 D HA 0.043 4.682 4.640 -0.000 0.000 0.221 227 D C 1.029 177.467 176.300 0.230 0.000 1.156 227 D CA 0.015 54.197 54.000 0.302 0.000 0.896 227 D CB 0.663 41.656 40.800 0.322 0.000 1.028 227 D HN 0.555 nan 8.370 nan 0.000 0.509 228 K N 1.634 122.149 120.400 0.191 0.000 2.147 228 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 228 K C 1.637 178.293 176.600 0.094 0.000 1.049 228 K CA 1.275 57.640 56.287 0.130 0.000 0.936 228 K CB 0.141 32.702 32.500 0.100 0.000 0.722 228 K HN 0.381 nan 8.250 nan 0.000 0.446 229 S N -0.019 115.734 115.700 0.088 0.000 2.507 229 S HA -0.099 4.371 4.470 -0.000 0.000 0.235 229 S C 1.740 176.377 174.600 0.061 0.000 0.988 229 S CA 1.213 59.450 58.200 0.062 0.000 0.944 229 S CB -0.249 62.980 63.200 0.049 0.000 0.762 229 S HN 0.391 nan 8.310 nan 0.000 0.526 230 S N -0.072 115.677 115.700 0.081 0.000 2.522 230 S HA 0.257 4.727 4.470 -0.000 0.000 0.227 230 S C 0.619 175.248 174.600 0.048 0.000 0.986 230 S CA -0.039 58.200 58.200 0.065 0.000 0.929 230 S CB -0.267 62.979 63.200 0.077 0.000 0.769 230 S HN 0.412 nan 8.310 nan 0.000 0.529 231 S N 0.285 116.016 115.700 0.050 0.000 2.638 231 S HA 0.646 5.116 4.470 -0.000 0.000 0.274 231 S C -0.564 174.055 174.600 0.031 0.000 1.157 231 S CA -0.608 57.614 58.200 0.036 0.000 0.826 231 S CB 1.882 65.105 63.200 0.038 0.000 1.139 231 S HN 0.583 nan 8.310 nan 0.000 0.474 232 T N -0.232 114.335 114.554 0.022 0.000 2.943 232 T HA 0.674 5.024 4.350 -0.000 0.000 0.284 232 T C -3.083 171.627 174.700 0.017 0.000 1.015 232 T CA -2.499 59.613 62.100 0.019 0.000 1.042 232 T CB 0.682 69.559 68.868 0.015 0.000 1.055 232 T HN 0.184 nan 8.240 nan 0.000 0.500 233 P HA 0.236 nan 4.420 nan 0.000 0.263 233 P C 1.176 178.484 177.300 0.013 0.000 1.175 233 P CA 1.467 64.577 63.100 0.017 0.000 0.761 233 P CB 0.077 31.790 31.700 0.022 0.000 0.794 234 G N 1.905 110.710 108.800 0.008 0.000 2.258 234 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.233 234 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.233 234 G C 0.192 175.090 174.900 -0.003 0.000 1.006 234 G CA -0.393 44.711 45.100 0.005 0.000 0.620 234 G HN 0.560 nan 8.290 nan 0.000 0.511 235 N N 1.851 120.551 118.700 -0.001 0.000 2.443 235 N HA 0.552 5.292 4.740 -0.000 0.000 0.295 235 N C -2.926 172.584 175.510 0.000 0.000 1.076 235 N CA -1.650 51.399 53.050 -0.001 0.000 0.919 235 N CB 1.406 39.896 38.487 0.005 0.000 1.176 235 N HN 0.013 nan 8.380 nan 0.000 0.487 236 P HA -0.016 nan 4.420 nan 0.000 0.261 236 P C -0.331 177.003 177.300 0.058 0.000 1.183 236 P CA 0.433 63.549 63.100 0.028 0.000 0.761 236 P CB 0.110 31.829 31.700 0.033 0.000 0.785 237 T N 4.404 119.015 114.554 0.096 0.000 2.829 237 T HA 0.002 4.352 4.350 -0.000 0.000 0.293 237 T C 1.448 176.236 174.700 0.146 0.000 0.970 237 T CA 0.200 62.390 62.100 0.149 0.000 1.168 237 T CB 0.314 69.339 68.868 0.262 0.000 0.911 237 T HN 0.352 nan 8.240 nan 0.000 0.535 238 K N 1.787 122.232 120.400 0.075 0.000 2.137 238 K HA 0.018 4.338 4.320 -0.000 0.000 0.202 238 K C 0.735 177.305 176.600 -0.049 0.000 1.052 238 K CA 0.749 57.040 56.287 0.007 0.000 0.961 238 K CB 0.292 32.787 32.500 -0.008 0.000 0.741 238 K HN 0.448 nan 8.250 nan 0.000 0.452 239 T N 1.888 116.434 114.554 -0.013 0.000 2.767 239 T HA 0.497 4.847 4.350 -0.000 0.000 0.284 239 T C -0.209 174.441 174.700 -0.083 0.000 0.973 239 T CA -0.394 61.644 62.100 -0.102 0.000 0.996 239 T CB 1.075 69.913 68.868 -0.050 0.000 0.927 239 T HN -0.021 nan 8.240 nan 0.000 0.456 240 I N 2.810 123.215 120.570 -0.276 0.000 2.619 240 I HA 0.449 4.619 4.170 -0.000 0.000 0.292 240 I C -1.270 174.730 176.117 -0.195 0.000 1.100 240 I CA -1.132 60.038 61.300 -0.216 0.000 1.043 240 I CB 2.023 39.839 38.000 -0.307 0.000 1.239 240 I HN 0.554 nan 8.210 nan 0.000 0.420 241 Y N 4.318 124.702 120.300 0.140 0.000 2.429 241 Y HA 0.707 5.257 4.550 -0.000 0.000 0.342 241 Y C -0.276 175.759 175.900 0.225 0.000 1.004 241 Y CA -0.949 57.310 58.100 0.266 0.000 1.075 241 Y CB 2.183 40.840 38.460 0.329 0.000 1.214 241 Y HN 0.139 nan 8.280 nan 0.000 0.455 242 V N 2.183 122.249 119.914 0.255 0.000 2.577 242 V HA 0.668 4.788 4.120 -0.000 0.000 0.303 242 V C 0.002 175.816 176.094 -0.466 0.000 1.042 242 V CA -0.928 61.288 62.300 -0.140 0.000 0.872 242 V CB 1.913 33.589 31.823 -0.245 0.000 0.998 242 V HN 0.940 nan 8.190 nan 0.000 0.423 243 G N 3.016 111.003 108.800 -1.356 0.000 2.348 243 G HA2 0.633 4.592 3.960 -0.000 0.000 0.312 243 G HA3 0.633 4.592 3.960 -0.000 0.000 0.312 243 G C -1.055 173.448 174.900 -0.661 0.000 1.126 243 G CA -0.405 43.862 45.100 -1.388 0.000 0.865 243 G HN 0.569 nan 8.290 nan 0.000 0.474 244 V N 1.151 120.906 119.914 -0.264 0.000 2.656 244 V HA 0.616 4.736 4.120 -0.000 0.000 0.307 244 V C 0.479 176.537 176.094 -0.060 0.000 1.051 244 V CA -0.953 61.285 62.300 -0.103 0.000 0.893 244 V CB 1.931 33.800 31.823 0.078 0.000 0.999 244 V HN 1.055 nan 8.190 nan 0.000 0.426 245 A N 2.932 125.717 122.820 -0.058 0.000 2.906 245 A HA 0.484 4.804 4.320 -0.000 0.000 0.289 245 A C -0.071 177.519 177.584 0.010 0.000 1.675 245 A CA 0.344 52.371 52.037 -0.017 0.000 1.372 245 A CB -0.597 18.384 19.000 -0.032 0.000 1.091 245 A HN 0.761 nan 8.150 nan 0.000 0.579 246 D N 1.722 122.141 120.400 0.033 0.000 2.764 246 D HA 0.171 4.811 4.640 -0.000 0.000 0.227 246 D C 0.587 176.907 176.300 0.032 0.000 1.347 246 D CA -0.452 53.566 54.000 0.031 0.000 0.953 246 D CB 1.038 41.860 40.800 0.037 0.000 1.476 246 D HN 0.301 nan 8.370 nan 0.000 0.585 247 K N 1.645 122.061 120.400 0.026 0.000 2.209 247 K HA -0.061 4.259 4.320 -0.000 0.000 0.204 247 K C 1.165 177.742 176.600 -0.039 0.000 1.048 247 K CA 0.855 57.150 56.287 0.012 0.000 0.940 247 K CB 0.295 32.806 32.500 0.019 0.000 0.729 247 K HN 0.362 nan 8.250 nan 0.000 0.451 248 N N 0.496 119.173 118.700 -0.039 0.000 2.368 248 N HA -0.053 4.687 4.740 -0.000 0.000 0.176 248 N C -0.067 175.382 175.510 -0.101 0.000 1.021 248 N CA 0.647 53.655 53.050 -0.069 0.000 0.888 248 N CB 0.538 38.997 38.487 -0.048 0.000 0.995 248 N HN 0.207 nan 8.380 nan 0.000 0.437 249 E N -0.237 119.918 120.200 -0.074 0.000 2.454 249 E HA 0.149 4.499 4.350 -0.000 0.000 0.315 249 E C -0.558 176.007 176.600 -0.059 0.000 0.907 249 E CA -0.086 56.239 56.400 -0.125 0.000 0.797 249 E CB 0.721 30.370 29.700 -0.085 0.000 1.396 249 E HN 0.077 nan 8.360 nan 0.000 0.389 250 S N 3.866 119.481 115.700 -0.142 0.000 2.593 250 S HA 0.310 4.780 4.470 -0.000 0.000 0.235 250 S C 0.458 175.014 174.600 -0.074 0.000 1.059 250 S CA -0.272 57.920 58.200 -0.013 0.000 0.953 250 S CB 0.555 63.787 63.200 0.052 0.000 0.897 250 S HN 0.360 nan 8.310 nan 0.000 0.507 251 I N 2.627 123.031 120.570 -0.275 0.000 2.362 251 I HA 0.526 4.696 4.170 -0.000 0.000 0.289 251 I C -1.309 174.568 176.117 -0.399 0.000 0.994 251 I CA -0.961 60.247 61.300 -0.153 0.000 1.158 251 I CB 0.576 38.632 38.000 0.093 0.000 1.315 251 I HN 0.183 nan 8.210 nan 0.000 0.451 252 Y N 4.910 125.261 120.300 0.085 0.000 2.524 252 Y HA 0.675 5.225 4.550 -0.000 0.000 0.344 252 Y C 0.315 176.373 175.900 0.264 0.000 1.012 252 Y CA -0.830 57.354 58.100 0.140 0.000 1.068 252 Y CB 2.281 40.787 38.460 0.077 0.000 1.249 252 Y HN 0.487 nan 8.280 nan 0.000 0.468 253 R N 1.090 121.808 120.500 0.363 0.000 2.621 253 R HA 0.682 5.021 4.340 -0.000 0.000 0.284 253 R C -1.557 174.711 176.300 -0.053 0.000 0.998 253 R CA -0.533 55.596 56.100 0.049 0.000 0.895 253 R CB 1.958 32.124 30.300 -0.223 0.000 1.195 253 R HN 0.693 nan 8.270 nan 0.000 0.450 254 S N 0.701 116.100 115.700 -0.501 0.000 2.501 254 S HA 0.347 4.817 4.470 -0.000 0.000 0.301 254 S C 0.286 174.592 174.600 -0.491 0.000 1.096 254 S CA -0.365 57.351 58.200 -0.807 0.000 1.063 254 S CB 1.518 63.729 63.200 -1.649 0.000 1.042 254 S HN 0.709 nan 8.310 nan 0.000 0.494 255 T N -0.281 114.066 114.554 -0.345 0.000 3.091 255 T HA 0.244 4.593 4.350 -0.000 0.000 0.277 255 T C -0.159 174.438 174.700 -0.172 0.000 0.996 255 T CA -0.143 61.828 62.100 -0.214 0.000 0.897 255 T CB -0.227 68.561 68.868 -0.134 0.000 1.109 255 T HN 0.608 nan 8.240 nan 0.000 0.534 256 D N 0.558 120.824 120.400 -0.223 0.000 2.696 256 D HA 0.375 5.014 4.640 -0.000 0.000 0.269 256 D C 1.297 177.514 176.300 -0.138 0.000 1.319 256 D CA -0.372 53.536 54.000 -0.153 0.000 0.826 256 D CB -0.253 40.465 40.800 -0.136 0.000 1.086 256 D HN 0.378 nan 8.370 nan 0.000 0.481 257 G N -0.276 108.440 108.800 -0.140 0.000 2.160 257 G HA2 0.014 3.974 3.960 -0.000 0.000 0.244 257 G HA3 0.014 3.974 3.960 -0.000 0.000 0.244 257 G C 1.129 176.024 174.900 -0.007 0.000 1.022 257 G CA 0.258 45.335 45.100 -0.038 0.000 0.741 257 G HN 1.435 nan 8.290 nan 0.000 0.508 258 G N -2.965 105.692 108.800 -0.240 0.000 2.157 258 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.239 258 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.239 258 G C 1.297 176.185 174.900 -0.019 0.000 0.982 258 G CA 1.041 46.055 45.100 -0.143 0.000 0.650 258 G HN 1.450 nan 8.290 nan 0.000 0.527 259 V N 0.878 120.713 119.914 -0.132 0.000 2.323 259 V HA 0.148 4.268 4.120 -0.000 0.000 0.244 259 V C 1.812 177.871 176.094 -0.057 0.000 1.041 259 V CA 2.590 64.866 62.300 -0.040 0.000 1.025 259 V CB -0.433 31.361 31.823 -0.048 0.000 0.656 259 V HN 1.125 nan 8.190 nan 0.000 0.451 260 T N -3.388 111.016 114.554 -0.250 0.000 2.916 260 T HA 0.597 4.947 4.350 -0.000 0.000 0.292 260 T C -1.537 172.893 174.700 -0.450 0.000 1.055 260 T CA -0.691 61.309 62.100 -0.167 0.000 1.009 260 T CB 2.162 70.976 68.868 -0.090 0.000 1.118 260 T HN 0.223 nan 8.240 nan 0.000 0.497 261 W N 0.238 121.527 121.300 -0.018 0.000 3.032 261 W HA 0.726 5.386 4.660 -0.000 0.000 0.335 261 W C -0.363 176.141 176.519 -0.024 0.000 1.154 261 W CA -0.804 56.528 57.345 -0.021 0.000 1.204 261 W CB 2.246 31.665 29.460 -0.068 0.000 1.416 261 W HN 0.615 nan 8.180 nan 0.000 0.521 262 K N 1.454 122.001 120.400 0.245 0.000 2.502 262 K HA 0.692 5.012 4.320 -0.000 0.000 0.257 262 K C -0.609 176.079 176.600 0.148 0.000 0.938 262 K CA -1.133 55.252 56.287 0.163 0.000 0.819 262 K CB 2.391 34.926 32.500 0.059 0.000 1.333 262 K HN 0.544 nan 8.250 nan 0.000 0.434 263 A N 1.808 124.638 122.820 0.016 0.000 2.546 263 A HA 0.119 4.439 4.320 -0.000 0.000 0.243 263 A C 0.208 177.698 177.584 -0.156 0.000 1.063 263 A CA -0.147 51.697 52.037 -0.321 0.000 0.757 263 A CB -0.013 18.778 19.000 -0.349 0.000 0.991 263 A HN 0.418 nan 8.150 nan 0.000 0.503 264 V N 6.156 125.972 119.914 -0.163 0.000 2.479 264 V HA 0.122 4.242 4.120 -0.000 0.000 0.281 264 V C -1.858 174.235 176.094 -0.002 0.000 1.031 264 V CA -0.786 61.488 62.300 -0.044 0.000 1.038 264 V CB 0.497 32.272 31.823 -0.081 0.000 0.981 264 V HN 0.774 nan 8.190 nan 0.000 0.478 265 P HA 0.242 nan 4.420 nan 0.000 0.268 265 P C 0.911 178.299 177.300 0.147 0.000 1.205 265 P CA 1.073 64.216 63.100 0.071 0.000 0.771 265 P CB 0.638 32.404 31.700 0.110 0.000 0.858 266 G N 1.044 109.811 108.800 -0.055 0.000 2.157 266 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.248 266 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.248 266 G C 0.147 174.590 174.900 -0.763 0.000 0.979 266 G CA 0.163 45.173 45.100 -0.150 0.000 0.650 266 G HN 0.776 nan 8.290 nan 0.000 0.529 267 Q N 0.892 120.095 119.800 -0.994 0.000 2.421 267 Q HA 0.562 4.902 4.340 -0.000 0.000 0.255 267 Q C -2.020 173.212 176.000 -1.280 0.000 1.013 267 Q CA -1.220 53.527 55.803 -1.760 0.000 0.895 267 Q CB 0.757 28.815 28.738 -1.133 0.000 1.271 267 Q HN 0.311 nan 8.270 nan 0.000 0.460 268 P HA 0.150 nan 4.420 nan 0.000 0.274 268 P C -1.271 175.579 177.300 -0.749 0.000 1.237 268 P CA -0.194 62.210 63.100 -1.160 0.000 0.793 268 P CB 0.858 31.566 31.700 -1.654 0.000 0.977 269 K N -0.429 119.664 120.400 -0.512 0.000 2.340 269 K HA 0.628 4.948 4.320 -0.000 0.000 0.244 269 K C 0.598 177.045 176.600 -0.256 0.000 0.973 269 K CA -0.240 55.850 56.287 -0.328 0.000 0.828 269 K CB 1.563 33.917 32.500 -0.242 0.000 1.226 269 K HN 0.678 nan 8.250 nan 0.000 0.437 270 G N 0.182 108.896 108.800 -0.144 0.000 2.253 270 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.209 270 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.209 270 G C -0.319 174.587 174.900 0.009 0.000 0.997 270 G CA -0.363 44.696 45.100 -0.068 0.000 0.640 270 G HN 0.309 nan 8.290 nan 0.000 0.496 271 L N 0.062 121.298 121.223 0.021 0.000 2.277 271 L HA 0.784 5.124 4.340 -0.000 0.000 0.254 271 L C -0.168 176.885 176.870 0.306 0.000 1.044 271 L CA -1.378 53.568 54.840 0.177 0.000 0.842 271 L CB 1.943 44.132 42.059 0.217 0.000 1.422 271 L HN 0.018 nan 8.230 nan 0.000 0.422 272 L N 2.195 123.643 121.223 0.375 0.000 2.322 272 L HA 0.486 4.826 4.340 -0.000 0.000 0.281 272 L C -2.422 174.660 176.870 0.353 0.000 1.014 272 L CA -1.740 53.288 54.840 0.313 0.000 0.815 272 L CB 1.583 43.763 42.059 0.202 0.000 1.247 272 L HN 0.235 nan 8.230 nan 0.000 0.421 273 P HA 0.108 nan 4.420 nan 0.000 0.280 273 P C -0.025 177.457 177.300 0.302 0.000 1.300 273 P CA -0.011 63.091 63.100 0.003 0.000 0.785 273 P CB 0.560 32.284 31.700 0.040 0.000 0.874 274 H N 2.119 121.264 119.070 0.125 0.000 2.372 274 H HA 0.032 4.588 4.556 -0.000 0.000 0.301 274 H C 0.436 175.662 175.328 -0.169 0.000 1.065 274 H CA 1.087 57.159 56.048 0.040 0.000 1.364 274 H CB 0.504 30.302 29.762 0.059 0.000 1.406 274 H HN 0.557 nan 8.280 nan 0.000 0.521 275 H N -1.606 117.556 119.070 0.154 0.000 2.980 275 H HA 0.406 4.962 4.556 -0.000 0.000 0.367 275 H C -0.332 174.556 175.328 -0.733 0.000 1.206 275 H CA -0.443 55.422 56.048 -0.305 0.000 1.126 275 H CB 2.320 32.023 29.762 -0.100 0.000 1.838 275 H HN 0.287 nan 8.280 nan 0.000 0.552 276 G N 0.598 108.668 108.800 -1.216 0.000 2.687 276 G HA2 0.506 4.466 3.960 -0.000 0.000 0.301 276 G HA3 0.506 4.466 3.960 -0.000 0.000 0.301 276 G C -1.421 173.146 174.900 -0.554 0.000 1.416 276 G CA -0.385 44.029 45.100 -1.144 0.000 1.005 276 G HN 0.343 nan 8.290 nan 0.000 0.509 277 V N 3.048 122.834 119.914 -0.213 0.000 2.525 277 V HA 0.398 4.518 4.120 -0.000 0.000 0.299 277 V C -0.583 175.517 176.094 0.010 0.000 1.034 277 V CA -0.844 61.421 62.300 -0.058 0.000 0.863 277 V CB 1.613 33.440 31.823 0.008 0.000 0.999 277 V HN 0.725 nan 8.190 nan 0.000 0.423 278 L N 5.398 126.620 121.223 -0.002 0.000 2.283 278 L HA 0.787 5.127 4.340 -0.000 0.000 0.287 278 L C 0.610 177.501 176.870 0.035 0.000 1.073 278 L CA 0.275 55.109 54.840 -0.009 0.000 0.822 278 L CB 0.653 42.709 42.059 -0.006 0.000 1.186 278 L HN 0.796 nan 8.230 nan 0.000 0.436 279 A N 3.236 126.084 122.820 0.048 0.000 2.313 279 A HA 0.430 4.750 4.320 -0.000 0.000 0.261 279 A C 1.271 178.863 177.584 0.013 0.000 1.090 279 A CA 0.235 52.312 52.037 0.067 0.000 0.807 279 A CB 0.271 19.377 19.000 0.176 0.000 1.055 279 A HN 0.996 nan 8.150 nan 0.000 0.492 280 S N 0.532 116.235 115.700 0.005 0.000 2.442 280 S HA -0.182 4.288 4.470 -0.000 0.000 0.236 280 S C 0.988 175.575 174.600 -0.021 0.000 1.007 280 S CA 1.366 59.561 58.200 -0.010 0.000 0.965 280 S CB -0.558 62.629 63.200 -0.022 0.000 0.773 280 S HN 0.906 nan 8.310 nan 0.000 0.504 281 N N 1.892 120.575 118.700 -0.029 0.000 2.314 281 N HA 0.308 5.048 4.740 -0.000 0.000 0.200 281 N C 0.878 176.339 175.510 -0.083 0.000 1.135 281 N CA 0.535 53.555 53.050 -0.050 0.000 0.835 281 N CB -0.618 37.839 38.487 -0.050 0.000 0.989 281 N HN 0.661 nan 8.380 nan 0.000 0.478 285 Y N 5.487 125.777 120.300 -0.017 0.000 2.308 285 Y HA 0.770 5.320 4.550 -0.000 0.000 0.329 285 Y C 0.323 176.259 175.900 0.061 0.000 1.111 285 Y CA -0.190 57.947 58.100 0.062 0.000 1.179 285 Y CB 1.384 39.868 38.460 0.041 0.000 1.201 285 Y HN 0.424 nan 8.280 nan 0.000 0.483 286 I N 2.472 123.252 120.570 0.351 0.000 2.571 286 I HA 0.272 4.442 4.170 -0.000 0.000 0.289 286 I C -0.739 175.548 176.117 0.283 0.000 1.115 286 I CA -0.897 60.542 61.300 0.232 0.000 1.045 286 I CB 2.354 40.522 38.000 0.280 0.000 1.238 286 I HN 0.559 nan 8.210 nan 0.000 0.424 287 T N 1.556 116.213 114.554 0.171 0.000 2.875 287 T HA 0.680 5.030 4.350 -0.000 0.000 0.284 287 T C -0.876 173.921 174.700 0.162 0.000 0.995 287 T CA -0.528 61.726 62.100 0.256 0.000 1.060 287 T CB 1.129 70.160 68.868 0.271 0.000 0.967 287 T HN 0.335 nan 8.240 nan 0.000 0.476 288 Y N -0.051 120.459 120.300 0.351 0.000 2.512 288 Y HA 0.714 5.264 4.550 -0.000 0.000 0.348 288 Y C 0.637 176.693 175.900 0.260 0.000 0.990 288 Y CA -0.787 57.513 58.100 0.333 0.000 1.033 288 Y CB 2.916 41.562 38.460 0.311 0.000 1.259 288 Y HN 1.221 nan 8.280 nan 0.000 0.461 289 G N 0.652 109.703 108.800 0.418 0.000 2.649 289 G HA2 0.521 4.481 3.960 -0.000 0.000 0.290 289 G HA3 0.521 4.481 3.960 -0.000 0.000 0.290 289 G C -2.061 173.026 174.900 0.311 0.000 1.426 289 G CA -0.872 44.397 45.100 0.280 0.000 0.794 289 G HN 0.518 nan 8.290 nan 0.000 0.483 300 K N -0.766 119.649 120.400 0.025 0.000 2.477 300 K HA 0.800 5.120 4.320 -0.000 0.000 0.255 300 K C -0.421 176.252 176.600 0.121 0.000 0.952 300 K CA -0.380 55.907 56.287 0.002 0.000 0.826 300 K CB 2.171 34.712 32.500 0.068 0.000 1.331 300 K HN 1.152 nan 8.250 nan 0.000 0.437 301 G N 0.654 109.548 108.800 0.156 0.000 2.659 301 G HA2 0.623 4.583 3.960 -0.000 0.000 0.296 301 G HA3 0.623 4.583 3.960 -0.000 0.000 0.296 301 G C -1.362 173.859 174.900 0.534 0.000 1.369 301 G CA -0.363 44.937 45.100 0.334 0.000 0.937 301 G HN 0.333 nan 8.290 nan 0.000 0.485 302 Q N -0.845 119.282 119.800 0.544 0.000 2.456 302 Q HA 0.659 4.999 4.340 -0.000 0.000 0.284 302 Q C -1.437 174.792 176.000 0.382 0.000 1.061 302 Q CA -0.966 55.063 55.803 0.377 0.000 0.799 302 Q CB 3.393 32.333 28.738 0.337 0.000 1.445 302 Q HN 0.398 nan 8.270 nan 0.000 0.411 303 V N 0.731 120.702 119.914 0.094 0.000 2.577 303 V HA 0.529 4.649 4.120 -0.000 0.000 0.303 303 V C -1.439 174.754 176.094 0.165 0.000 1.042 303 V CA -0.770 61.642 62.300 0.187 0.000 0.872 303 V CB 1.245 32.998 31.823 -0.116 0.000 0.998 303 V HN 0.678 nan 8.190 nan 0.000 0.423 304 W N 2.934 124.472 121.300 0.396 0.000 2.882 304 W HA 0.753 5.413 4.660 0.000 0.000 0.345 304 W C -0.268 176.460 176.519 0.348 0.000 1.125 304 W CA -0.843 56.745 57.345 0.404 0.000 1.167 304 W CB 1.974 31.788 29.460 0.589 0.000 1.431 304 W HN 0.520 nan 8.180 nan 0.000 0.543 305 K N 1.518 122.194 120.400 0.460 0.000 2.345 305 K HA 0.683 5.003 4.320 -0.000 0.000 0.255 305 K C -1.580 175.032 176.600 0.021 0.000 0.934 305 K CA -0.730 55.608 56.287 0.085 0.000 0.801 305 K CB 2.137 34.492 32.500 -0.242 0.000 1.137 305 K HN 0.349 nan 8.250 nan 0.000 0.424 306 F N 3.234 122.913 119.950 -0.452 0.000 2.411 306 F HA 0.314 4.841 4.527 -0.000 0.000 0.352 306 F C -0.406 175.066 175.800 -0.547 0.000 1.123 306 F CA -1.096 56.404 58.000 -0.834 0.000 1.044 306 F CB 1.251 39.368 39.000 -1.473 0.000 1.135 306 F HN 0.674 nan 8.300 nan 0.000 0.461 307 N N 4.191 122.255 118.700 -1.061 0.000 2.415 307 N HA 0.001 4.741 4.740 -0.000 0.000 0.250 307 N C 1.154 175.939 175.510 -1.209 0.000 1.127 307 N CA 0.597 53.136 53.050 -0.851 0.000 0.945 307 N CB 1.005 39.188 38.487 -0.506 0.000 1.196 307 N HN 0.860 nan 8.380 nan 0.000 0.499 308 T N 1.368 115.394 114.554 -0.880 0.000 2.929 308 T HA -0.097 4.253 4.350 -0.000 0.000 0.271 308 T C 1.533 176.077 174.700 -0.260 0.000 1.085 308 T CA 1.033 62.835 62.100 -0.496 0.000 1.125 308 T CB 0.070 68.892 68.868 -0.076 0.000 0.874 308 T HN 0.445 nan 8.240 nan 0.000 0.494 309 R N 0.808 121.148 120.500 -0.267 0.000 2.161 309 R HA 0.101 4.441 4.340 -0.000 0.000 0.213 309 R C 2.626 178.838 176.300 -0.147 0.000 1.055 309 R CA 1.491 57.499 56.100 -0.152 0.000 0.996 309 R CB -0.026 30.199 30.300 -0.125 0.000 0.901 309 R HN 0.689 nan 8.270 nan 0.000 0.456 310 T N -5.150 109.270 114.554 -0.223 0.000 2.959 310 T HA 0.238 4.588 4.350 -0.000 0.000 0.254 310 T C 1.346 175.964 174.700 -0.135 0.000 1.003 310 T CA 0.432 62.441 62.100 -0.152 0.000 0.950 310 T CB 1.187 69.972 68.868 -0.138 0.000 1.090 310 T HN 0.264 nan 8.240 nan 0.000 0.503 311 G N 1.401 110.033 108.800 -0.280 0.000 2.157 311 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 311 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 311 G C -0.218 174.681 174.900 -0.002 0.000 0.979 311 G CA 0.227 45.281 45.100 -0.076 0.000 0.650 311 G HN 0.823 nan 8.290 nan 0.000 0.529 312 E N -0.306 119.777 120.200 -0.195 0.000 2.259 312 E HA 0.422 4.772 4.350 -0.000 0.000 0.281 312 E C -0.461 176.128 176.600 -0.019 0.000 1.027 312 E CA -0.953 55.439 56.400 -0.014 0.000 0.838 312 E CB 0.436 30.115 29.700 -0.035 0.000 1.066 312 E HN 0.286 nan 8.360 nan 0.000 0.401 313 W N 4.670 126.111 121.300 0.235 0.000 2.391 313 W HA 0.395 5.054 4.660 -0.000 0.000 0.311 313 W C -0.627 176.135 176.519 0.405 0.000 1.087 313 W CA -0.427 57.140 57.345 0.370 0.000 1.209 313 W CB 0.753 30.392 29.460 0.299 0.000 1.273 313 W HN 0.362 nan 8.180 nan 0.000 0.482 314 I N 3.017 123.936 120.570 0.581 0.000 2.436 314 I HA 0.109 4.279 4.170 -0.000 0.000 0.289 314 I C -0.200 175.948 176.117 0.053 0.000 1.010 314 I CA -0.772 60.694 61.300 0.275 0.000 1.098 314 I CB 1.394 39.451 38.000 0.095 0.000 1.266 314 I HN 0.212 nan 8.210 nan 0.000 0.434 315 D N 6.848 126.931 120.400 -0.528 0.000 2.339 315 D HA 0.205 4.845 4.640 -0.000 0.000 0.256 315 D C 0.515 176.537 176.300 -0.464 0.000 1.214 315 D CA 0.088 53.401 54.000 -1.145 0.000 0.877 315 D CB 0.763 40.812 40.800 -1.251 0.000 1.111 315 D HN 0.554 nan 8.370 nan 0.000 0.478 316 I N 0.351 120.733 120.570 -0.314 0.000 3.856 316 I HA 0.224 4.394 4.170 -0.000 0.000 0.330 316 I C 0.036 176.140 176.117 -0.023 0.000 1.546 316 I CA -0.661 60.633 61.300 -0.010 0.000 1.132 316 I CB 0.209 38.327 38.000 0.196 0.000 1.157 316 I HN -0.033 nan 8.210 nan 0.000 0.440 317 T N 4.028 118.404 114.554 -0.297 0.000 2.831 317 T HA 0.074 4.424 4.350 -0.000 0.000 0.291 317 T C -1.430 172.913 174.700 -0.594 0.000 0.981 317 T CA -0.302 61.503 62.100 -0.491 0.000 1.174 317 T CB 0.636 69.321 68.868 -0.305 0.000 0.929 317 T HN 0.185 nan 8.240 nan 0.000 0.532 318 P HA 0.034 nan 4.420 nan 0.000 0.216 318 P C 0.116 177.012 177.300 -0.674 0.000 1.150 318 P CA 0.977 63.264 63.100 -1.354 0.000 0.837 318 P CB 0.134 30.310 31.700 -2.540 0.000 0.786 319 I N -0.507 119.816 120.570 -0.410 0.000 2.382 319 I HA 0.300 4.470 4.170 -0.000 0.000 0.286 319 I C -2.473 173.587 176.117 -0.094 0.000 1.002 319 I CA -3.100 58.111 61.300 -0.147 0.000 1.135 319 I CB 1.858 39.827 38.000 -0.052 0.000 1.288 319 I HN -0.320 nan 8.210 nan 0.000 0.448 320 P HA -0.125 nan 4.420 nan 0.000 0.264 320 P C 0.306 177.613 177.300 0.012 0.000 1.183 320 P CA 0.257 63.338 63.100 -0.032 0.000 0.763 320 P CB 0.374 32.062 31.700 -0.021 0.000 0.807 321 Y N 3.558 123.822 120.300 -0.060 0.000 2.207 321 Y HA -0.294 4.256 4.550 -0.000 0.000 0.287 321 Y C 2.222 178.102 175.900 -0.033 0.000 1.156 321 Y CA 2.449 60.529 58.100 -0.033 0.000 1.182 321 Y CB -0.463 37.996 38.460 -0.002 0.000 0.979 321 Y HN 0.394 nan 8.280 nan 0.000 0.521 322 S N -1.056 114.680 115.700 0.060 0.000 2.423 322 S HA -0.102 4.367 4.470 -0.000 0.000 0.231 322 S C 1.378 175.933 174.600 -0.075 0.000 1.014 322 S CA 0.481 58.679 58.200 -0.003 0.000 0.965 322 S CB -0.779 62.450 63.200 0.047 0.000 0.785 322 S HN 0.378 nan 8.310 nan 0.000 0.495 323 S N 1.185 116.838 115.700 -0.079 0.000 2.632 323 S HA 0.397 4.867 4.470 -0.000 0.000 0.267 323 S C 1.137 175.663 174.600 -0.123 0.000 1.276 323 S CA -0.087 58.067 58.200 -0.076 0.000 0.998 323 S CB 1.214 64.386 63.200 -0.046 0.000 0.953 323 S HN 0.542 nan 8.310 nan 0.000 0.547 324 S N 1.217 116.865 115.700 -0.086 0.000 2.511 324 S HA 0.122 4.592 4.470 -0.000 0.000 0.214 324 S C 0.809 175.370 174.600 -0.065 0.000 0.997 324 S CA 0.049 58.195 58.200 -0.090 0.000 0.908 324 S CB -0.303 62.863 63.200 -0.056 0.000 0.803 324 S HN 0.717 nan 8.310 nan 0.000 0.504 325 D N 2.890 123.269 120.400 -0.035 0.000 2.203 325 D HA -0.101 4.539 4.640 -0.000 0.000 0.199 325 D C 0.736 176.923 176.300 -0.188 0.000 0.997 325 D CA 0.968 54.961 54.000 -0.012 0.000 0.863 325 D CB -0.569 40.259 40.800 0.046 0.000 0.928 325 D HN 0.460 nan 8.370 nan 0.000 0.458 326 N N 0.862 119.398 118.700 -0.273 0.000 2.421 326 N HA -0.009 4.731 4.740 -0.000 0.000 0.260 326 N C 0.184 175.388 175.510 -0.510 0.000 1.173 326 N CA 0.069 52.828 53.050 -0.484 0.000 0.960 326 N CB 0.152 38.452 38.487 -0.312 0.000 1.273 326 N HN 0.279 nan 8.380 nan 0.000 0.497 327 R N 2.155 122.205 120.500 -0.749 0.000 2.569 327 R HA 0.201 4.541 4.340 -0.000 0.000 0.422 327 R C -0.780 175.394 176.300 -0.209 0.000 0.980 327 R CA -0.386 55.509 56.100 -0.342 0.000 1.164 327 R CB -0.238 30.020 30.300 -0.070 0.000 1.520 327 R HN 0.188 nan 8.270 nan 0.000 0.567 328 F N -1.603 118.263 119.950 -0.139 0.000 2.668 328 F HA 0.579 5.106 4.527 -0.000 0.000 0.309 328 F C -0.355 175.284 175.800 -0.269 0.000 1.117 328 F CA -2.153 55.741 58.000 -0.177 0.000 0.951 328 F CB 0.262 39.132 39.000 -0.217 0.000 1.323 328 F HN -0.240 nan 8.300 nan 0.000 0.451 329 C N 1.733 121.054 119.300 0.035 0.000 2.634 329 C HA 0.218 4.678 4.460 -0.000 0.000 0.417 329 C C 0.021 174.918 174.990 -0.155 0.000 1.334 329 C CA -0.258 58.745 59.018 -0.025 0.000 1.829 329 C CB -1.397 26.325 27.740 -0.031 0.000 2.665 329 C HN 0.507 nan 8.230 nan 0.000 0.614 330 F N 1.539 121.558 119.950 0.114 0.000 2.420 330 F HA 0.507 5.034 4.527 -0.000 0.000 0.352 330 F C 0.839 176.609 175.800 -0.050 0.000 1.108 330 F CA 0.142 58.184 58.000 0.070 0.000 1.162 330 F CB 0.671 39.715 39.000 0.073 0.000 1.118 330 F HN 0.795 nan 8.300 nan 0.000 0.510 331 A N 2.806 125.698 122.820 0.121 0.000 1.976 331 A HA 0.524 4.844 4.320 -0.000 0.000 0.199 331 A C 1.250 179.034 177.584 0.333 0.000 2.152 331 A CA 0.385 52.455 52.037 0.055 0.000 1.086 331 A CB -0.978 18.037 19.000 0.026 0.000 1.181 331 A HN 0.771 nan 8.150 nan 0.000 0.642 332 G N 0.046 109.004 108.800 0.264 0.000 2.353 332 G HA2 0.422 4.382 3.960 -0.000 0.000 0.239 332 G HA3 0.422 4.382 3.960 -0.000 0.000 0.239 332 G C -0.776 174.194 174.900 0.116 0.000 1.295 332 G CA 0.452 45.657 45.100 0.174 0.000 0.884 332 G HN 0.911 nan 8.290 nan 0.000 0.537 333 L N 2.285 123.488 121.223 -0.033 0.000 2.482 333 L HA 0.752 5.092 4.340 -0.000 0.000 0.269 333 L C -0.234 176.590 176.870 -0.077 0.000 0.967 333 L CA -0.644 54.188 54.840 -0.013 0.000 0.851 333 L CB 1.650 43.732 42.059 0.039 0.000 1.242 333 L HN 0.816 nan 8.230 nan 0.000 0.404 334 A N 4.601 127.398 122.820 -0.039 0.000 2.355 334 A HA 0.899 5.218 4.320 -0.000 0.000 0.317 334 A C -1.473 176.046 177.584 -0.107 0.000 1.094 334 A CA -0.559 51.445 52.037 -0.055 0.000 0.764 334 A CB 1.828 20.819 19.000 -0.015 0.000 1.230 334 A HN 0.526 nan 8.150 nan 0.000 0.448 335 V N 2.115 121.959 119.914 -0.117 0.000 2.540 335 V HA 0.304 4.424 4.120 -0.000 0.000 0.302 335 V C -0.620 175.395 176.094 -0.132 0.000 1.035 335 V CA -0.770 61.434 62.300 -0.160 0.000 0.873 335 V CB 1.908 33.653 31.823 -0.130 0.000 0.992 335 V HN 0.947 nan 8.190 nan 0.000 0.428 336 D N 3.415 123.728 120.400 -0.145 0.000 2.339 336 D HA 0.080 4.720 4.640 -0.000 0.000 0.256 336 D C 1.228 177.449 176.300 -0.130 0.000 1.214 336 D CA -0.014 53.902 54.000 -0.140 0.000 0.877 336 D CB 0.912 41.631 40.800 -0.135 0.000 1.111 336 D HN 0.573 nan 8.370 nan 0.000 0.478 337 R N 3.167 123.574 120.500 -0.154 0.000 2.193 337 R HA -0.152 4.188 4.340 -0.000 0.000 0.229 337 R C 1.106 177.321 176.300 -0.141 0.000 1.110 337 R CA 1.319 57.327 56.100 -0.154 0.000 0.988 337 R CB 0.233 30.397 30.300 -0.226 0.000 0.871 337 R HN 0.580 nan 8.270 nan 0.000 0.458 338 Q N -0.762 118.955 119.800 -0.138 0.000 2.408 338 Q HA 0.075 4.415 4.340 -0.000 0.000 0.205 338 Q C -0.229 175.719 176.000 -0.087 0.000 0.919 338 Q CA 0.078 55.814 55.803 -0.110 0.000 0.932 338 Q CB 0.548 29.223 28.738 -0.105 0.000 1.058 338 Q HN 0.066 nan 8.270 nan 0.000 0.517 339 N N 0.201 118.846 118.700 -0.092 0.000 2.629 339 N HA 0.110 4.850 4.740 -0.000 0.000 0.277 339 N C -2.490 172.967 175.510 -0.088 0.000 1.188 339 N CA -1.646 51.352 53.050 -0.086 0.000 0.835 339 N CB 1.575 40.006 38.487 -0.093 0.000 1.420 339 N HN -0.216 nan 8.380 nan 0.000 0.542 340 P HA 0.031 nan 4.420 nan 0.000 0.230 340 P C 0.081 177.373 177.300 -0.015 0.000 1.158 340 P CA 0.763 63.852 63.100 -0.019 0.000 0.769 340 P CB 0.619 32.323 31.700 0.008 0.000 0.807 341 D N -0.369 119.988 120.400 -0.072 0.000 2.349 341 D HA 0.114 4.754 4.640 -0.000 0.000 0.215 341 D C 0.872 177.044 176.300 -0.212 0.000 1.016 341 D CA 0.267 54.200 54.000 -0.112 0.000 0.870 341 D CB 0.214 40.946 40.800 -0.114 0.000 0.917 341 D HN 0.284 nan 8.370 nan 0.000 0.524 342 I N 2.734 123.179 120.570 -0.208 0.000 2.312 342 I HA 0.238 4.408 4.170 -0.000 0.000 0.291 342 I C 0.491 176.436 176.117 -0.286 0.000 1.031 342 I CA -0.340 60.811 61.300 -0.248 0.000 1.293 342 I CB 0.548 38.433 38.000 -0.192 0.000 1.403 342 I HN -0.148 nan 8.210 nan 0.000 0.484 346 T N -0.371 114.314 114.554 0.217 0.000 2.908 346 T HA 0.861 5.211 4.350 -0.000 0.000 0.290 346 T C 0.218 175.013 174.700 0.159 0.000 1.034 346 T CA 0.032 62.219 62.100 0.145 0.000 1.010 346 T CB 1.643 70.522 68.868 0.018 0.000 1.068 346 T HN 2.248 nan 8.240 nan 0.000 0.481 350 A N 1.069 123.637 122.820 -0.421 0.000 1.968 350 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 350 A C 0.719 178.446 177.584 0.238 0.000 1.169 350 A CA 1.540 53.540 52.037 -0.062 0.000 0.638 350 A CB -0.812 18.123 19.000 -0.109 0.000 0.812 350 A HN 0.994 nan 8.150 nan 0.000 0.446 351 W N -4.267 117.118 121.300 0.142 0.000 0.692 351 W HA -0.284 4.376 4.660 -0.000 0.000 0.217 351 W C 0.626 177.259 176.519 0.191 0.000 0.920 351 W CA 1.358 58.790 57.345 0.144 0.000 0.374 351 W CB -1.305 28.236 29.460 0.135 0.000 1.907 351 W HN 0.542 nan 8.180 nan 0.000 1.212 352 W N 3.507 124.988 121.300 0.302 0.000 2.785 352 W HA 0.529 5.189 4.660 -0.000 0.000 0.333 352 W C -1.775 174.876 176.519 0.220 0.000 1.062 352 W CA -1.807 55.658 57.345 0.199 0.000 1.233 352 W CB 1.284 30.865 29.460 0.202 0.000 1.413 352 W HN -0.362 nan 8.180 nan 0.000 0.489 353 P HA 0.053 nan 4.420 nan 0.000 0.231 353 P C -0.493 176.441 177.300 -0.610 0.000 1.168 353 P CA 1.208 63.602 63.100 -1.176 0.000 0.779 353 P CB 0.800 31.609 31.700 -1.485 0.000 0.844 354 D N -1.718 118.402 120.400 -0.467 0.000 2.764 354 D HA 0.134 4.774 4.640 -0.000 0.000 0.293 354 D C -0.779 175.419 176.300 -0.170 0.000 1.287 354 D CA -0.408 53.410 54.000 -0.303 0.000 0.768 354 D CB 0.989 41.487 40.800 -0.504 0.000 1.288 354 D HN -0.336 nan 8.370 nan 0.000 0.426 355 E N 0.096 120.230 120.200 -0.109 0.000 2.410 355 E HA 0.192 4.542 4.350 -0.000 0.000 0.255 355 E C -0.545 175.986 176.600 -0.115 0.000 1.194 355 E CA 0.298 56.631 56.400 -0.111 0.000 0.955 355 E CB 0.174 29.788 29.700 -0.143 0.000 0.988 355 E HN 0.323 nan 8.360 nan 0.000 0.461 356 Y N -0.069 120.075 120.300 -0.260 0.000 2.341 356 Y HA 0.412 4.962 4.550 -0.000 0.000 0.337 356 Y C 0.285 175.956 175.900 -0.381 0.000 1.014 356 Y CA -0.544 57.302 58.100 -0.423 0.000 1.111 356 Y CB 1.099 39.244 38.460 -0.526 0.000 1.194 356 Y HN 0.171 nan 8.280 nan 0.000 0.462 357 I N 4.700 125.080 120.570 -0.316 0.000 2.437 357 I HA 0.239 4.409 4.170 -0.000 0.000 0.279 357 I C -1.207 174.902 176.117 -0.013 0.000 1.028 357 I CA -0.419 60.798 61.300 -0.138 0.000 1.142 357 I CB 0.619 38.510 38.000 -0.181 0.000 1.266 357 I HN 0.414 nan 8.210 nan 0.000 0.461 358 F N 5.246 125.307 119.950 0.184 0.000 2.404 358 F HA 0.550 5.077 4.527 -0.000 0.000 0.339 358 F C 0.564 176.552 175.800 0.313 0.000 1.105 358 F CA -0.402 57.738 58.000 0.233 0.000 1.087 358 F CB 1.230 40.206 39.000 -0.041 0.000 1.143 358 F HN 0.365 nan 8.300 nan 0.000 0.491 359 R N 1.699 122.421 120.500 0.370 0.000 2.599 359 R HA 0.661 5.000 4.340 -0.000 0.000 0.295 359 R C -1.279 174.950 176.300 -0.118 0.000 0.963 359 R CA -0.479 55.586 56.100 -0.058 0.000 0.883 359 R CB 1.812 31.588 30.300 -0.872 0.000 1.171 359 R HN 0.680 nan 8.270 nan 0.000 0.450 360 S N 0.914 116.385 115.700 -0.382 0.000 2.526 360 S HA 0.299 4.769 4.470 -0.000 0.000 0.293 360 S C 0.100 174.410 174.600 -0.485 0.000 1.092 360 S CA -0.498 57.319 58.200 -0.637 0.000 0.980 360 S CB 1.661 64.057 63.200 -1.341 0.000 1.048 360 S HN 0.722 nan 8.310 nan 0.000 0.483 361 T N -0.166 114.151 114.554 -0.395 0.000 3.132 361 T HA 0.269 4.619 4.350 -0.000 0.000 0.274 361 T C -0.178 174.369 174.700 -0.255 0.000 1.011 361 T CA -0.057 61.865 62.100 -0.297 0.000 0.899 361 T CB -0.331 68.391 68.868 -0.243 0.000 1.089 361 T HN 0.610 nan 8.240 nan 0.000 0.543 362 D N 0.160 120.377 120.400 -0.304 0.000 2.804 362 D HA 0.352 4.992 4.640 -0.000 0.000 0.308 362 D C 1.261 177.416 176.300 -0.241 0.000 1.371 362 D CA -0.423 53.435 54.000 -0.236 0.000 0.823 362 D CB -0.264 40.414 40.800 -0.203 0.000 1.126 362 D HN 0.328 nan 8.370 nan 0.000 0.467 363 G N -0.103 108.542 108.800 -0.258 0.000 2.198 363 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.260 363 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.260 363 G C 1.189 175.977 174.900 -0.187 0.000 1.025 363 G CA 0.392 45.412 45.100 -0.133 0.000 0.769 363 G HN 1.478 nan 8.290 nan 0.000 0.507 364 G N -1.797 106.669 108.800 -0.557 0.000 2.157 364 G HA2 0.082 4.042 3.960 -0.000 0.000 0.248 364 G HA3 0.082 4.042 3.960 -0.000 0.000 0.248 364 G C 1.620 176.266 174.900 -0.423 0.000 0.979 364 G CA 1.249 45.913 45.100 -0.727 0.000 0.650 364 G HN 2.064 nan 8.290 nan 0.000 0.529 365 A N -0.586 122.042 122.820 -0.320 0.000 1.902 365 A HA 0.397 4.717 4.320 -0.000 0.000 0.217 365 A C 1.689 179.162 177.584 -0.186 0.000 1.181 365 A CA 2.653 54.577 52.037 -0.188 0.000 0.623 365 A CB -0.347 18.564 19.000 -0.148 0.000 0.818 365 A HN 1.987 nan 8.150 nan 0.000 0.443 366 T N -5.608 108.761 114.554 -0.307 0.000 2.906 366 T HA 0.579 4.929 4.350 -0.000 0.000 0.295 366 T C -1.129 173.346 174.700 -0.374 0.000 1.061 366 T CA -0.765 61.215 62.100 -0.200 0.000 1.000 366 T CB 1.314 70.116 68.868 -0.110 0.000 1.103 366 T HN 0.362 nan 8.240 nan 0.000 0.486 367 W N 0.923 122.176 121.300 -0.078 0.000 2.962 367 W HA 0.666 5.326 4.660 -0.000 0.000 0.341 367 W C -0.528 176.037 176.519 0.077 0.000 1.155 367 W CA -0.902 56.423 57.345 -0.034 0.000 1.165 367 W CB 1.942 31.347 29.460 -0.092 0.000 1.435 367 W HN 0.934 nan 8.180 nan 0.000 0.546 368 K N 1.425 122.052 120.400 0.378 0.000 2.371 368 K HA 0.593 4.913 4.320 -0.000 0.000 0.251 368 K C -1.007 175.895 176.600 0.502 0.000 0.934 368 K CA -0.927 55.576 56.287 0.360 0.000 0.798 368 K CB 2.151 34.759 32.500 0.181 0.000 1.204 368 K HN 0.349 nan 8.250 nan 0.000 0.427 369 N N 1.812 120.707 118.700 0.325 0.000 2.515 369 N HA 0.147 4.887 4.740 -0.000 0.000 0.279 369 N C 0.500 176.098 175.510 0.146 0.000 1.164 369 N CA -0.601 52.392 53.050 -0.095 0.000 0.982 369 N CB 0.975 39.065 38.487 -0.662 0.000 1.170 369 N HN 0.831 nan 8.380 nan 0.000 0.474 370 I N 1.235 121.755 120.570 -0.084 0.000 2.916 370 I HA 0.012 4.182 4.170 -0.000 0.000 0.267 370 I C -0.218 175.882 176.117 -0.028 0.000 1.263 370 I CA 0.328 61.428 61.300 -0.333 0.000 1.471 370 I CB -0.009 37.652 38.000 -0.565 0.000 1.089 370 I HN 0.485 nan 8.210 nan 0.000 0.468 371 W N 0.624 121.841 121.300 -0.138 0.000 3.033 371 W HA 0.627 5.287 4.660 -0.000 0.000 0.336 371 W C -1.313 175.076 176.519 -0.217 0.000 1.173 371 W CA -0.885 56.302 57.345 -0.263 0.000 1.185 371 W CB 0.468 29.725 29.460 -0.338 0.000 1.425 371 W HN -0.218 nan 8.180 nan 0.000 0.536 372 E N 0.516 120.766 120.200 0.082 0.000 2.288 372 E HA 0.232 4.582 4.350 -0.000 0.000 0.268 372 E C -1.377 175.356 176.600 0.221 0.000 0.885 372 E CA -0.960 55.500 56.400 0.101 0.000 0.767 372 E CB 2.178 31.972 29.700 0.157 0.000 1.220 372 E HN 0.356 nan 8.360 nan 0.000 0.427 373 W N 1.608 123.122 121.300 0.357 0.000 2.476 373 W HA 0.110 4.769 4.660 -0.000 0.000 0.338 373 W C 1.086 177.697 176.519 0.152 0.000 1.328 373 W CA -0.051 57.450 57.345 0.260 0.000 1.300 373 W CB 0.061 29.692 29.460 0.285 0.000 1.252 373 W HN 0.531 nan 8.180 nan 0.000 0.568 377 P HA 0.241 nan 4.420 nan 0.000 0.272 377 P C -0.685 176.409 177.300 -0.343 0.000 1.408 377 P CA 0.031 62.563 63.100 -0.947 0.000 0.996 377 P CB 0.618 31.908 31.700 -0.683 0.000 1.481 378 E N 1.276 121.410 120.200 -0.111 0.000 2.373 378 E HA 0.208 4.558 4.350 -0.000 0.000 0.267 378 E C 0.023 176.614 176.600 -0.014 0.000 1.032 378 E CA 0.139 56.498 56.400 -0.069 0.000 0.889 378 E CB 0.680 30.364 29.700 -0.026 0.000 0.984 378 E HN 0.127 nan 8.360 nan 0.000 0.425 379 R N 2.665 123.067 120.500 -0.164 0.000 2.670 379 R HA 0.469 4.809 4.340 -0.000 0.000 0.289 379 R C -0.679 175.508 176.300 -0.189 0.000 0.965 379 R CA -0.864 55.109 56.100 -0.212 0.000 0.899 379 R CB 1.350 31.321 30.300 -0.548 0.000 1.173 379 R HN 0.437 nan 8.270 nan 0.000 0.456 380 I N 4.004 124.491 120.570 -0.139 0.000 2.304 380 I HA 0.214 4.384 4.170 -0.000 0.000 0.291 380 I C -0.282 175.594 176.117 -0.401 0.000 1.018 380 I CA -0.286 60.878 61.300 -0.227 0.000 1.260 380 I CB 0.761 38.667 38.000 -0.157 0.000 1.390 380 I HN 0.261 nan 8.210 nan 0.000 0.475 381 L N 6.171 127.117 121.223 -0.461 0.000 2.282 381 L HA 0.362 4.701 4.340 -0.000 0.000 0.288 381 L C 0.564 177.095 176.870 -0.565 0.000 1.033 381 L CA -0.678 53.829 54.840 -0.555 0.000 0.807 381 L CB 0.712 42.301 42.059 -0.784 0.000 1.209 381 L HN 0.587 nan 8.230 nan 0.000 0.423 382 H N 3.271 122.205 119.070 -0.226 0.000 2.537 382 H HA 0.188 4.744 4.556 -0.000 0.000 0.295 382 H C -0.811 174.359 175.328 -0.265 0.000 1.054 382 H CA 0.077 55.953 56.048 -0.287 0.000 1.156 382 H CB -0.247 29.237 29.762 -0.464 0.000 1.468 382 H HN 0.597 nan 8.280 nan 0.000 0.551 383 Y N -1.684 118.481 120.300 -0.225 0.000 2.625 383 Y HA 0.626 5.176 4.550 -0.000 0.000 0.338 383 Y C -1.064 174.741 175.900 -0.157 0.000 1.123 383 Y CA -1.391 56.588 58.100 -0.201 0.000 1.046 383 Y CB 1.401 39.721 38.460 -0.234 0.000 1.299 383 Y HN -0.160 nan 8.280 nan 0.000 0.464 384 E N 1.909 122.090 120.200 -0.032 0.000 2.299 384 E HA 0.666 5.016 4.350 -0.000 0.000 0.265 384 E C -1.467 175.183 176.600 0.083 0.000 0.911 384 E CA -1.072 55.288 56.400 -0.068 0.000 0.789 384 E CB 3.220 32.878 29.700 -0.071 0.000 1.246 384 E HN 0.598 nan 8.360 nan 0.000 0.427 385 I N 1.417 122.006 120.570 0.033 0.000 2.418 385 I HA 0.207 4.377 4.170 -0.000 0.000 0.287 385 I C -0.876 175.225 176.117 -0.025 0.000 1.008 385 I CA -0.800 60.480 61.300 -0.032 0.000 1.104 385 I CB 1.574 39.503 38.000 -0.118 0.000 1.264 385 I HN 0.391 nan 8.210 nan 0.000 0.438 386 D N 7.610 128.002 120.400 -0.012 0.000 2.329 386 D HA 0.326 4.965 4.640 -0.000 0.000 0.232 386 D C 0.259 176.573 176.300 0.024 0.000 1.088 386 D CA -0.403 53.600 54.000 0.005 0.000 0.835 386 D CB 1.216 42.024 40.800 0.013 0.000 1.078 386 D HN 0.560 nan 8.370 nan 0.000 0.495 387 I N 1.179 121.754 120.570 0.008 0.000 3.816 387 I HA 0.175 4.345 4.170 -0.000 0.000 0.334 387 I C 1.181 177.263 176.117 -0.059 0.000 1.551 387 I CA -0.463 60.827 61.300 -0.017 0.000 1.153 387 I CB 0.186 38.165 38.000 -0.035 0.000 1.197 387 I HN 0.147 nan 8.210 nan 0.000 0.439 388 S N 1.435 117.118 115.700 -0.028 0.000 2.442 388 S HA -0.044 4.425 4.470 -0.000 0.000 0.236 388 S C 1.920 176.498 174.600 -0.038 0.000 1.007 388 S CA 0.891 59.074 58.200 -0.028 0.000 0.965 388 S CB -0.218 62.977 63.200 -0.008 0.000 0.773 388 S HN 0.616 nan 8.310 nan 0.000 0.504 389 A N 0.641 123.438 122.820 -0.039 0.000 2.208 389 A HA 0.722 5.042 4.320 -0.000 0.000 0.209 389 A C 1.191 178.722 177.584 -0.090 0.000 1.161 389 A CA 0.489 52.505 52.037 -0.035 0.000 0.782 389 A CB -0.282 18.719 19.000 0.001 0.000 0.816 389 A HN 1.222 nan 8.150 nan 0.000 0.477 390 A N -0.607 122.092 122.820 -0.201 0.000 3.200 390 A HA 0.567 4.887 4.320 -0.000 0.000 0.274 390 A C -2.324 174.880 177.584 -0.633 0.000 1.220 390 A CA -0.482 51.284 52.037 -0.451 0.000 0.904 390 A CB 0.206 18.830 19.000 -0.626 0.000 1.415 390 A HN 0.042 nan 8.150 nan 0.000 0.630 391 P HA -0.116 nan 4.420 nan 0.000 0.230 391 P C 1.492 178.714 177.300 -0.131 0.000 1.158 391 P CA 0.773 63.768 63.100 -0.174 0.000 0.769 391 P CB -0.161 31.508 31.700 -0.051 0.000 0.807 392 W N -1.002 120.277 121.300 -0.035 0.000 2.611 392 W HA 0.012 4.672 4.660 -0.000 0.000 0.251 392 W C 0.806 177.259 176.519 -0.110 0.000 1.265 392 W CA 0.061 57.362 57.345 -0.074 0.000 1.295 392 W CB -1.568 27.870 29.460 -0.037 0.000 1.129 392 W HN -0.073 nan 8.180 nan 0.000 0.630 393 L N 2.228 123.210 121.223 -0.401 0.000 2.450 393 L HA -0.213 4.126 4.340 -0.000 0.000 0.224 393 L C 1.846 178.973 176.870 0.429 0.000 1.149 393 L CA 1.771 56.577 54.840 -0.056 0.000 0.816 393 L CB -0.657 41.240 42.059 -0.270 0.000 0.932 393 L HN -0.028 nan 8.230 nan 0.000 0.449 394 D N -3.140 117.441 120.400 0.302 0.000 2.328 394 D HA -0.186 4.454 4.640 -0.000 0.000 0.221 394 D C 0.890 177.488 176.300 0.496 0.000 1.072 394 D CA -0.371 53.842 54.000 0.354 0.000 0.850 394 D CB -0.307 40.603 40.800 0.184 0.000 0.922 394 D HN 0.220 nan 8.370 nan 0.000 0.516 395 W N 0.963 122.388 121.300 0.208 0.000 4.650 395 W HA -0.264 4.396 4.660 -0.000 0.000 0.335 395 W C 1.247 177.838 176.519 0.120 0.000 1.222 395 W CA 0.673 58.128 57.345 0.183 0.000 0.807 395 W CB -1.700 27.848 29.460 0.146 0.000 2.290 395 W HN 0.459 nan 8.180 nan 0.000 1.514 396 G N 0.669 109.604 108.800 0.226 0.000 2.296 396 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.282 396 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.282 396 G C 0.105 175.090 174.900 0.143 0.000 1.014 396 G CA 1.044 46.233 45.100 0.149 0.000 0.812 396 G HN 0.321 nan 8.290 nan 0.000 0.508 397 T N -0.269 114.388 114.554 0.173 0.000 2.949 397 T HA 0.431 4.780 4.350 -0.000 0.000 0.300 397 T C -0.303 174.458 174.700 0.101 0.000 0.988 397 T CA -0.568 61.611 62.100 0.133 0.000 0.993 397 T CB 2.052 71.011 68.868 0.152 0.000 0.984 397 T HN 0.383 nan 8.240 nan 0.000 0.442 398 E N 3.381 123.620 120.200 0.065 0.000 2.316 398 E HA 0.174 4.524 4.350 -0.000 0.000 0.275 398 E C -0.219 176.398 176.600 0.028 0.000 1.029 398 E CA -0.542 55.881 56.400 0.039 0.000 0.871 398 E CB 0.470 30.185 29.700 0.026 0.000 1.022 398 E HN 0.235 nan 8.360 nan 0.000 0.418 399 K N 3.040 123.446 120.400 0.011 0.000 2.106 399 K HA 0.161 4.481 4.320 -0.000 0.000 0.246 399 K C -0.274 176.320 176.600 -0.010 0.000 0.987 399 K CA -0.618 55.670 56.287 0.001 0.000 0.904 399 K CB 1.228 33.719 32.500 -0.015 0.000 1.071 399 K HN 0.590 nan 8.250 nan 0.000 0.453 400 Q N 1.764 121.566 119.800 0.003 0.000 2.267 400 Q HA 0.220 4.560 4.340 -0.000 0.000 0.255 400 Q C -0.504 175.486 176.000 -0.018 0.000 0.923 400 Q CA -0.406 55.398 55.803 0.003 0.000 0.925 400 Q CB 0.626 29.383 28.738 0.032 0.000 1.195 400 Q HN 0.425 nan 8.270 nan 0.000 0.417 401 L N 6.330 127.517 121.223 -0.059 0.000 2.506 401 L HA 0.046 4.386 4.340 -0.000 0.000 0.281 401 L C -1.291 175.519 176.870 -0.099 0.000 1.228 401 L CA -1.077 53.688 54.840 -0.125 0.000 0.850 401 L CB 0.295 42.259 42.059 -0.159 0.000 1.110 401 L HN 0.732 nan 8.230 nan 0.000 0.496 402 P HA -0.017 nan 4.420 nan 0.000 0.245 402 P C -0.132 176.927 177.300 -0.401 0.000 1.212 402 P CA 0.448 63.357 63.100 -0.319 0.000 0.774 402 P CB 0.226 31.735 31.700 -0.318 0.000 0.999 403 E N 0.624 120.677 120.200 -0.246 0.000 2.338 403 E HA 0.353 4.702 4.350 -0.000 0.000 0.272 403 E C -0.025 176.462 176.600 -0.188 0.000 1.029 403 E CA -0.114 56.149 56.400 -0.228 0.000 0.872 403 E CB 0.680 30.331 29.700 -0.083 0.000 1.015 403 E HN 0.190 nan 8.360 nan 0.000 0.417 404 I N 2.760 123.212 120.570 -0.196 0.000 2.534 404 I HA 0.245 4.415 4.170 -0.000 0.000 0.288 404 I C -0.584 175.495 176.117 -0.062 0.000 1.077 404 I CA -0.974 60.245 61.300 -0.134 0.000 1.051 404 I CB 1.784 39.676 38.000 -0.180 0.000 1.234 404 I HN 0.328 nan 8.210 nan 0.000 0.425 405 N N 6.497 125.194 118.700 -0.005 0.000 2.443 405 N HA 0.502 5.242 4.740 -0.000 0.000 0.295 405 N C -2.459 173.091 175.510 0.067 0.000 1.076 405 N CA -1.482 51.609 53.050 0.069 0.000 0.919 405 N CB 1.284 39.844 38.487 0.123 0.000 1.176 405 N HN 0.334 nan 8.380 nan 0.000 0.487 406 P HA 0.145 nan 4.420 nan 0.000 0.271 406 P C -0.534 176.831 177.300 0.108 0.000 1.218 406 P CA -0.066 63.132 63.100 0.162 0.000 0.780 406 P CB 1.192 32.992 31.700 0.166 0.000 0.901 407 K N 1.391 121.894 120.400 0.172 0.000 2.126 407 K HA 0.202 4.522 4.320 -0.000 0.000 0.257 407 K C 1.696 178.323 176.600 0.045 0.000 1.007 407 K CA -0.665 55.689 56.287 0.111 0.000 0.928 407 K CB 0.494 33.139 32.500 0.242 0.000 1.013 407 K HN 0.332 nan 8.250 nan 0.000 0.473 408 L N 0.795 121.963 121.223 -0.092 0.000 2.021 408 L HA -0.252 4.088 4.340 -0.000 0.000 0.215 408 L C 1.301 178.255 176.870 0.141 0.000 1.074 408 L CA 1.846 56.594 54.840 -0.152 0.000 0.760 408 L CB -0.482 41.389 42.059 -0.314 0.000 0.889 408 L HN 1.034 nan 8.230 nan 0.000 0.433 409 G N -2.823 106.059 108.800 0.137 0.000 2.368 409 G HA2 0.234 4.194 3.960 -0.000 0.000 0.269 409 G HA3 0.234 4.194 3.960 -0.000 0.000 0.269 409 G C -2.291 172.741 174.900 0.220 0.000 1.291 409 G CA -0.389 44.747 45.100 0.061 0.000 0.903 409 G HN 0.215 nan 8.290 nan 0.000 0.483 413 G N 1.274 110.268 108.800 0.323 0.000 3.042 413 G HA2 0.129 4.089 3.960 -0.000 0.000 0.212 413 G HA3 0.129 4.089 3.960 -0.000 0.000 0.212 413 G C -0.075 175.086 174.900 0.436 0.000 1.166 413 G CA 0.515 45.851 45.100 0.394 0.000 0.767 413 G HN 0.482 nan 8.290 nan 0.000 0.546 414 D N -0.860 119.718 120.400 0.296 0.000 2.886 414 D HA 0.511 5.151 4.640 -0.000 0.000 0.216 414 D C -1.455 174.936 176.300 0.153 0.000 1.256 414 D CA -0.489 53.614 54.000 0.172 0.000 0.844 414 D CB 2.061 42.967 40.800 0.176 0.000 1.669 414 D HN -0.026 nan 8.370 nan 0.000 0.513 415 I N 1.666 122.281 120.570 0.075 0.000 2.722 415 I HA 0.470 4.640 4.170 -0.000 0.000 0.295 415 I C -1.580 174.598 176.117 0.101 0.000 1.161 415 I CA -0.424 60.961 61.300 0.143 0.000 1.032 415 I CB 1.675 39.751 38.000 0.127 0.000 1.244 415 I HN 0.169 nan 8.210 nan 0.000 0.421 416 E N 7.433 127.735 120.200 0.169 0.000 2.256 416 E HA 0.493 4.843 4.350 -0.000 0.000 0.268 416 E C -1.229 175.425 176.600 0.090 0.000 0.877 416 E CA -0.483 56.020 56.400 0.171 0.000 0.757 416 E CB 2.908 32.852 29.700 0.406 0.000 1.183 416 E HN 0.499 nan 8.360 nan 0.000 0.418 417 I N 1.783 122.315 120.570 -0.063 0.000 2.336 417 I HA 0.088 4.258 4.170 -0.000 0.000 0.292 417 I C 0.464 176.295 176.117 -0.477 0.000 0.991 417 I CA -0.782 60.416 61.300 -0.169 0.000 1.227 417 I CB 1.027 38.951 38.000 -0.127 0.000 1.366 417 I HN 0.273 nan 8.210 nan 0.000 0.466 418 D N 9.249 129.273 120.400 -0.628 0.000 2.520 418 D HA -0.007 4.633 4.640 -0.000 0.000 0.243 418 D C -1.658 174.345 176.300 -0.495 0.000 1.160 418 D CA -1.340 52.096 54.000 -0.939 0.000 0.877 418 D CB 1.292 41.850 40.800 -0.402 0.000 1.150 418 D HN 0.226 nan 8.370 nan 0.000 0.494 419 P HA 0.009 nan 4.420 nan 0.000 0.237 419 P C 0.374 177.358 177.300 -0.525 0.000 1.178 419 P CA 0.652 63.506 63.100 -0.409 0.000 0.766 419 P CB -0.005 31.458 31.700 -0.394 0.000 0.876 420 F N -1.581 118.298 119.950 -0.118 0.000 2.688 420 F HA 0.330 4.857 4.527 -0.000 0.000 0.310 420 F C 0.600 176.370 175.800 -0.051 0.000 1.098 420 F CA -0.190 57.779 58.000 -0.052 0.000 1.228 420 F CB 0.327 39.323 39.000 -0.006 0.000 1.042 420 F HN -0.173 nan 8.300 nan 0.000 0.557 421 N N -0.626 118.094 118.700 0.034 0.000 2.699 421 N HA 0.087 4.827 4.740 -0.000 0.000 0.271 421 N C 0.128 175.615 175.510 -0.038 0.000 1.216 421 N CA 0.076 53.137 53.050 0.017 0.000 0.844 421 N CB 1.120 39.637 38.487 0.051 0.000 1.462 421 N HN -0.223 nan 8.380 nan 0.000 0.555 422 S N 1.102 116.779 115.700 -0.038 0.000 2.469 422 S HA -0.072 4.398 4.470 -0.000 0.000 0.238 422 S C 0.825 175.414 174.600 -0.018 0.000 0.998 422 S CA 0.755 58.926 58.200 -0.048 0.000 0.957 422 S CB 0.117 63.288 63.200 -0.048 0.000 0.764 422 S HN 0.559 nan 8.310 nan 0.000 0.514 423 D N 0.207 120.610 120.400 0.005 0.000 2.348 423 D HA 0.086 4.725 4.640 -0.000 0.000 0.211 423 D C 1.052 177.378 176.300 0.044 0.000 0.998 423 D CA 0.300 54.321 54.000 0.033 0.000 0.873 423 D CB 0.280 41.104 40.800 0.039 0.000 0.925 423 D HN 0.294 nan 8.370 nan 0.000 0.524 428 V N 0.278 120.328 119.914 0.227 0.000 2.716 428 V HA 0.986 5.106 4.120 -0.000 0.000 0.304 428 V C -0.058 176.158 176.094 0.203 0.000 1.053 428 V CA 0.331 62.702 62.300 0.118 0.000 0.984 428 V CB 1.101 33.002 31.823 0.130 0.000 1.021 428 V HN 1.506 nan 8.190 nan 0.000 0.467 429 T N -0.168 114.418 114.554 0.053 0.000 2.804 429 T HA 0.618 4.968 4.350 -0.000 0.000 0.290 429 T C 0.958 175.629 174.700 -0.049 0.000 1.099 429 T CA -0.077 61.961 62.100 -0.104 0.000 1.011 429 T CB 1.243 69.870 68.868 -0.401 0.000 1.291 429 T HN 1.271 nan 8.240 nan 0.000 0.523 430 G N -0.743 107.837 108.800 -0.367 0.000 2.776 430 G HA2 0.345 4.305 3.960 -0.000 0.000 0.209 430 G HA3 0.345 4.305 3.960 -0.000 0.000 0.209 430 G C 1.009 176.030 174.900 0.202 0.000 1.145 430 G CA 0.578 45.671 45.100 -0.013 0.000 0.791 430 G HN 1.194 nan 8.290 nan 0.000 0.530 431 A N -1.811 121.016 122.820 0.011 0.000 2.242 431 A HA 0.589 4.909 4.320 -0.000 0.000 0.205 431 A C 0.783 178.461 177.584 0.156 0.000 1.353 431 A CA 1.218 53.414 52.037 0.265 0.000 1.005 431 A CB 0.833 20.173 19.000 0.566 0.000 1.127 431 A HN 0.299 nan 8.150 nan 0.000 0.498 432 T N -1.279 113.209 114.554 -0.111 0.000 2.661 432 T HA 0.553 4.903 4.350 -0.000 0.000 0.305 432 T C -2.016 172.475 174.700 -0.348 0.000 1.441 432 T CA -0.338 61.610 62.100 -0.254 0.000 0.999 432 T CB 0.815 69.387 68.868 -0.494 0.000 1.650 432 T HN 0.162 nan 8.240 nan 0.000 0.489 433 I N 2.342 122.681 120.570 -0.385 0.000 2.406 433 I HA 0.472 4.642 4.170 -0.000 0.000 0.290 433 I C -1.108 174.748 176.117 -0.435 0.000 0.999 433 I CA -0.732 60.352 61.300 -0.360 0.000 1.124 433 I CB 1.346 39.208 38.000 -0.231 0.000 1.289 433 I HN 0.534 nan 8.210 nan 0.000 0.441 434 Y N 3.590 123.585 120.300 -0.508 0.000 2.488 434 Y HA 0.847 5.397 4.550 -0.000 0.000 0.325 434 Y C 0.746 176.379 175.900 -0.445 0.000 1.204 434 Y CA -0.850 56.921 58.100 -0.548 0.000 1.229 434 Y CB 2.062 39.992 38.460 -0.882 0.000 1.274 434 Y HN 0.593 nan 8.280 nan 0.000 0.493 435 G N -0.804 107.987 108.800 -0.014 0.000 2.506 435 G HA2 0.522 4.482 3.960 -0.000 0.000 0.292 435 G HA3 0.522 4.482 3.960 -0.000 0.000 0.292 435 G C -1.686 173.257 174.900 0.071 0.000 1.425 435 G CA -0.457 44.664 45.100 0.034 0.000 0.788 435 G HN 1.052 nan 8.290 nan 0.000 0.490 436 C N -1.566 117.787 119.300 0.087 0.000 3.236 436 C HA 0.890 5.350 4.460 -0.000 0.000 0.312 436 C C -0.452 174.584 174.990 0.077 0.000 1.374 436 C CA -0.715 58.353 59.018 0.083 0.000 1.455 436 C CB 1.942 29.740 27.740 0.097 0.000 1.834 436 C HN 0.668 nan 8.230 nan 0.000 0.460 437 D N 0.577 121.020 120.400 0.072 0.000 2.527 437 D HA 0.110 4.750 4.640 -0.000 0.000 0.224 437 D C 0.238 176.576 176.300 0.063 0.000 1.217 437 D CA 0.407 54.446 54.000 0.066 0.000 0.819 437 D CB 0.210 41.049 40.800 0.065 0.000 1.061 437 D HN 0.803 nan 8.370 nan 0.000 0.515 438 N N 1.103 119.846 118.700 0.071 0.000 2.451 438 N HA -0.014 4.726 4.740 -0.000 0.000 0.271 438 N C 1.235 176.803 175.510 0.098 0.000 1.410 438 N CA -0.330 52.763 53.050 0.072 0.000 0.884 438 N CB 0.054 38.579 38.487 0.064 0.000 1.332 438 N HN -0.059 nan 8.380 nan 0.000 0.498 439 L N 1.756 123.045 121.223 0.110 0.000 2.051 439 L HA -0.159 4.181 4.340 -0.000 0.000 0.214 439 L C 2.186 179.163 176.870 0.178 0.000 1.076 439 L CA 2.623 57.561 54.840 0.163 0.000 0.758 439 L CB -1.136 41.007 42.059 0.140 0.000 0.890 439 L HN 0.502 nan 8.230 nan 0.000 0.433 440 T N -5.052 109.563 114.554 0.102 0.000 3.072 440 T HA -0.104 4.245 4.350 -0.000 0.000 0.266 440 T C 1.516 176.276 174.700 0.100 0.000 1.127 440 T CA 0.857 63.000 62.100 0.073 0.000 1.107 440 T CB -0.641 68.241 68.868 0.022 0.000 0.910 440 T HN 0.309 nan 8.240 nan 0.000 0.513 441 D N 0.474 120.946 120.400 0.120 0.000 2.190 441 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 441 D C 1.344 177.757 176.300 0.187 0.000 0.992 441 D CA 0.812 54.884 54.000 0.120 0.000 0.854 441 D CB -0.467 40.392 40.800 0.099 0.000 0.936 441 D HN 0.491 nan 8.370 nan 0.000 0.462 442 W N 2.254 123.556 121.300 0.003 0.000 2.335 442 W HA -0.163 4.497 4.660 -0.000 0.000 0.311 442 W C 1.288 177.777 176.519 -0.050 0.000 1.213 442 W CA 1.281 58.615 57.345 -0.019 0.000 1.274 442 W CB -0.626 28.829 29.460 -0.008 0.000 1.148 442 W HN -0.021 nan 8.180 nan 0.000 0.498 443 D N -0.372 120.095 120.400 0.112 0.000 2.263 443 D HA -0.131 4.508 4.640 -0.000 0.000 0.208 443 D C 1.947 178.252 176.300 0.009 0.000 0.971 443 D CA 0.970 54.945 54.000 -0.042 0.000 0.867 443 D CB -0.232 40.514 40.800 -0.090 0.000 0.929 443 D HN 0.174 nan 8.370 nan 0.000 0.492 444 R N -0.454 120.079 120.500 0.055 0.000 2.334 444 R HA 0.180 4.520 4.340 -0.000 0.000 0.216 444 R C 1.156 177.489 176.300 0.055 0.000 0.905 444 R CA 0.453 56.578 56.100 0.043 0.000 1.064 444 R CB 0.581 30.905 30.300 0.041 0.000 1.046 444 R HN 0.187 nan 8.270 nan 0.000 0.508 445 G N 0.238 109.088 108.800 0.083 0.000 2.141 445 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.242 445 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.242 445 G C 0.480 175.431 174.900 0.085 0.000 0.982 445 G CA 0.124 45.271 45.100 0.079 0.000 0.662 445 G HN 0.572 nan 8.290 nan 0.000 0.527 446 G N -0.723 108.132 108.800 0.091 0.000 2.543 446 G HA2 0.617 4.577 3.960 -0.000 0.000 0.267 446 G HA3 0.617 4.577 3.960 -0.000 0.000 0.267 446 G C -0.198 174.743 174.900 0.068 0.000 1.406 446 G CA -0.578 44.565 45.100 0.072 0.000 1.048 446 G HN 0.363 nan 8.290 nan 0.000 0.548 447 K N -0.322 120.102 120.400 0.039 0.000 2.292 447 K HA 0.438 4.758 4.320 -0.000 0.000 0.257 447 K C -0.770 175.843 176.600 0.020 0.000 0.940 447 K CA -0.603 55.688 56.287 0.006 0.000 0.811 447 K CB 2.479 34.962 32.500 -0.029 0.000 1.120 447 K HN 0.172 nan 8.250 nan 0.000 0.428 448 V N 4.159 124.074 119.914 0.003 0.000 2.485 448 V HA -0.012 4.107 4.120 -0.000 0.000 0.287 448 V C 0.463 176.584 176.094 0.044 0.000 1.022 448 V CA 0.112 62.435 62.300 0.039 0.000 1.067 448 V CB 0.065 31.892 31.823 0.006 0.000 0.967 448 V HN 0.536 nan 8.190 nan 0.000 0.479 449 K N 6.200 126.628 120.400 0.048 0.000 2.184 449 K HA 0.412 4.732 4.320 -0.000 0.000 0.259 449 K C -0.297 176.328 176.600 0.041 0.000 1.119 449 K CA -0.056 56.254 56.287 0.038 0.000 0.991 449 K CB 0.597 33.117 32.500 0.033 0.000 1.522 449 K HN 0.560 nan 8.250 nan 0.000 0.405 450 I N 2.992 123.579 120.570 0.029 0.000 2.529 450 I HA 0.008 4.178 4.170 -0.000 0.000 0.284 450 I C 0.876 176.988 176.117 -0.009 0.000 1.082 450 I CA 0.198 61.494 61.300 -0.007 0.000 1.406 450 I CB 0.552 38.491 38.000 -0.102 0.000 1.405 450 I HN 0.523 nan 8.210 nan 0.000 0.548 451 E N 4.478 124.707 120.200 0.049 0.000 2.429 451 E HA 0.455 4.805 4.350 -0.000 0.000 0.276 451 E C -1.435 175.289 176.600 0.206 0.000 0.953 451 E CA -1.031 55.429 56.400 0.100 0.000 0.787 451 E CB 1.724 31.467 29.700 0.072 0.000 1.307 451 E HN 0.171 nan 8.360 nan 0.000 0.458 452 V N 2.359 122.377 119.914 0.174 0.000 2.493 452 V HA 0.027 4.147 4.120 -0.000 0.000 0.292 452 V C 0.446 176.589 176.094 0.081 0.000 1.016 452 V CA 0.177 62.520 62.300 0.071 0.000 1.097 452 V CB 0.265 32.068 31.823 -0.032 0.000 0.947 452 V HN 0.605 nan 8.190 nan 0.000 0.479 453 K N 4.053 124.494 120.400 0.069 0.000 2.593 453 K HA 0.403 4.723 4.320 -0.000 0.000 0.208 453 K C 0.818 177.636 176.600 0.363 0.000 1.051 453 K CA 0.231 56.629 56.287 0.184 0.000 1.111 453 K CB 1.283 33.846 32.500 0.105 0.000 0.849 453 K HN 0.722 nan 8.250 nan 0.000 0.479 454 A N 0.474 123.418 122.820 0.207 0.000 2.535 454 A HA 0.136 4.456 4.320 -0.000 0.000 0.273 454 A C 0.341 178.062 177.584 0.228 0.000 1.267 454 A CA -0.195 51.936 52.037 0.157 0.000 0.940 454 A CB 0.027 18.963 19.000 -0.106 0.000 1.101 454 A HN 0.034 nan 8.150 nan 0.000 0.521 455 T N 0.527 115.254 114.554 0.288 0.000 2.871 455 T HA 0.395 4.744 4.350 -0.000 0.000 0.296 455 T C 1.490 176.345 174.700 0.259 0.000 0.998 455 T CA 1.503 63.726 62.100 0.205 0.000 1.162 455 T CB 0.634 69.584 68.868 0.138 0.000 0.947 455 T HN 1.368 nan 8.240 nan 0.000 0.536 456 G N 3.270 112.180 108.800 0.183 0.000 2.279 456 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.223 456 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.223 456 G C 0.205 175.212 174.900 0.178 0.000 1.015 456 G CA -0.514 44.715 45.100 0.216 0.000 0.621 456 G HN 0.715 nan 8.290 nan 0.000 0.506 457 I N 1.995 122.539 120.570 -0.043 0.000 2.471 457 I HA 0.381 4.551 4.170 -0.000 0.000 0.286 457 I C -0.315 175.806 176.117 0.006 0.000 1.079 457 I CA 0.042 61.139 61.300 -0.338 0.000 1.398 457 I CB 1.006 38.613 38.000 -0.655 0.000 1.403 457 I HN -0.008 nan 8.210 nan 0.000 0.530 458 E N 6.811 127.110 120.200 0.165 0.000 2.325 458 E HA 0.188 4.538 4.350 -0.000 0.000 0.248 458 E C -0.317 176.395 176.600 0.187 0.000 0.912 458 E CA -0.105 56.392 56.400 0.160 0.000 0.782 458 E CB 1.824 31.620 29.700 0.162 0.000 1.264 458 E HN 0.589 nan 8.360 nan 0.000 0.417 459 E N 1.246 121.528 120.200 0.137 0.000 2.583 459 E HA 0.128 4.478 4.350 -0.000 0.000 0.213 459 E C -0.307 176.360 176.600 0.113 0.000 0.989 459 E CA -0.153 56.334 56.400 0.146 0.000 0.991 459 E CB 0.585 30.367 29.700 0.137 0.000 1.040 459 E HN 0.383 nan 8.360 nan 0.000 0.481 460 C N 1.483 120.832 119.300 0.082 0.000 2.676 460 C HA 0.400 4.859 4.460 -0.000 0.000 0.416 460 C C 0.814 175.832 174.990 0.047 0.000 1.299 460 C CA -0.332 58.720 59.018 0.056 0.000 2.048 460 C CB 0.225 27.982 27.740 0.028 0.000 2.713 460 C HN 0.427 nan 8.230 nan 0.000 0.624 461 A N 3.652 126.497 122.820 0.042 0.000 2.269 461 A HA 0.564 4.883 4.320 -0.000 0.000 0.302 461 A C -0.329 177.250 177.584 -0.007 0.000 1.266 461 A CA -0.197 51.852 52.037 0.020 0.000 0.894 461 A CB 0.165 19.187 19.000 0.037 0.000 1.147 461 A HN 0.743 nan 8.150 nan 0.000 0.537 462 V N 4.687 124.586 119.914 -0.025 0.000 2.439 462 V HA 0.251 4.371 4.120 -0.000 0.000 0.282 462 V C 0.889 176.958 176.094 -0.043 0.000 1.039 462 V CA -0.151 62.131 62.300 -0.030 0.000 0.913 462 V CB 1.185 32.990 31.823 -0.031 0.000 0.983 462 V HN 0.929 nan 8.190 nan 0.000 0.460 463 L N 1.609 122.807 121.223 -0.041 0.000 2.467 463 L HA 0.467 4.807 4.340 -0.000 0.000 0.213 463 L C 0.287 177.137 176.870 -0.033 0.000 1.053 463 L CA 0.560 55.373 54.840 -0.044 0.000 0.847 463 L CB 0.399 42.426 42.059 -0.054 0.000 1.075 463 L HN 0.596 nan 8.230 nan 0.000 0.479 464 D N -0.772 119.613 120.400 -0.026 0.000 2.609 464 D HA 0.646 5.286 4.640 -0.000 0.000 0.239 464 D C -1.504 174.799 176.300 0.005 0.000 1.229 464 D CA -0.235 53.761 54.000 -0.006 0.000 0.808 464 D CB 2.571 43.367 40.800 -0.006 0.000 1.448 464 D HN -0.191 nan 8.370 nan 0.000 0.433 465 L N 0.987 122.222 121.223 0.020 0.000 2.482 465 L HA 0.615 4.955 4.340 -0.000 0.000 0.263 465 L C -0.804 176.093 176.870 0.046 0.000 0.957 465 L CA -1.126 53.718 54.840 0.007 0.000 0.836 465 L CB 2.159 44.199 42.059 -0.032 0.000 1.324 465 L HN 0.281 nan 8.230 nan 0.000 0.406 466 V N -0.896 119.046 119.914 0.047 0.000 2.735 466 V HA 0.699 4.819 4.120 -0.000 0.000 0.310 466 V C -0.401 175.671 176.094 -0.036 0.000 1.061 466 V CA -0.524 61.844 62.300 0.113 0.000 0.913 466 V CB 1.871 33.877 31.823 0.305 0.000 1.005 466 V HN 0.733 nan 8.190 nan 0.000 0.428 467 S N 6.051 121.737 115.700 -0.024 0.000 2.505 467 S HA 0.584 5.053 4.470 -0.000 0.000 0.280 467 S C -2.135 172.354 174.600 -0.187 0.000 1.197 467 S CA -1.307 56.830 58.200 -0.105 0.000 1.138 467 S CB 0.570 63.791 63.200 0.035 0.000 1.010 467 S HN 0.870 nan 8.310 nan 0.000 0.480 468 P HA 0.249 nan 4.420 nan 0.000 0.272 468 P C -2.171 174.944 177.300 -0.307 0.000 1.230 468 P CA -1.350 61.325 63.100 -0.710 0.000 0.788 468 P CB 0.328 31.630 31.700 -0.664 0.000 0.949 469 P HA -0.009 nan 4.420 nan 0.000 0.223 469 P C 0.047 177.320 177.300 -0.046 0.000 1.151 469 P CA 1.345 64.411 63.100 -0.058 0.000 0.787 469 P CB 0.557 32.268 31.700 0.019 0.000 0.788 470 E N -1.308 118.848 120.200 -0.073 0.000 2.343 470 E HA 0.527 4.877 4.350 -0.000 0.000 0.270 470 E C 0.118 176.679 176.600 -0.065 0.000 0.895 470 E CA -0.670 55.703 56.400 -0.044 0.000 0.767 470 E CB 2.118 31.810 29.700 -0.014 0.000 1.248 470 E HN 0.050 nan 8.360 nan 0.000 0.440 471 G N 0.844 109.619 108.800 -0.042 0.000 2.482 471 G HA2 0.003 3.963 3.960 -0.000 0.000 0.214 471 G HA3 0.003 3.963 3.960 -0.000 0.000 0.214 471 G C -0.382 174.494 174.900 -0.040 0.000 1.271 471 G CA -0.528 44.547 45.100 -0.041 0.000 0.944 471 G HN 0.811 nan 8.290 nan 0.000 0.568 472 A N 0.760 123.557 122.820 -0.038 0.000 2.445 472 A HA 0.629 4.949 4.320 -0.000 0.000 0.242 472 A C -0.324 177.232 177.584 -0.048 0.000 1.075 472 A CA 0.460 52.481 52.037 -0.027 0.000 0.777 472 A CB -0.005 18.993 19.000 -0.004 0.000 1.013 472 A HN 0.524 nan 8.150 nan 0.000 0.493 473 P HA -0.043 nan 4.420 nan 0.000 0.217 473 P C -0.104 177.086 177.300 -0.184 0.000 1.148 473 P CA 1.175 64.247 63.100 -0.047 0.000 0.828 473 P CB 0.083 31.777 31.700 -0.011 0.000 0.783 474 L N -2.016 119.097 121.223 -0.184 0.000 2.549 474 L HA 0.391 4.731 4.340 -0.000 0.000 0.259 474 L C -1.619 175.259 176.870 0.013 0.000 0.934 474 L CA -0.851 53.818 54.840 -0.285 0.000 0.865 474 L CB 2.381 44.050 42.059 -0.651 0.000 1.352 474 L HN -0.457 nan 8.230 nan 0.000 0.410 475 V N 2.641 122.576 119.914 0.034 0.000 2.531 475 V HA 0.800 4.919 4.120 -0.000 0.000 0.301 475 V C -0.257 175.953 176.094 0.192 0.000 1.034 475 V CA -0.362 62.056 62.300 0.198 0.000 0.865 475 V CB 1.749 33.681 31.823 0.181 0.000 0.995 475 V HN 0.851 nan 8.190 nan 0.000 0.424 476 S N 2.992 118.866 115.700 0.290 0.000 2.621 476 S HA 0.951 5.421 4.470 -0.000 0.000 0.302 476 S C -0.369 174.315 174.600 0.140 0.000 1.093 476 S CA -0.469 57.844 58.200 0.188 0.000 1.017 476 S CB 2.236 65.601 63.200 0.275 0.000 1.077 476 S HN 1.447 nan 8.310 nan 0.000 0.517 477 A N 1.232 124.074 122.820 0.037 0.000 2.335 477 A HA 0.768 5.088 4.320 -0.000 0.000 0.304 477 A C -0.329 177.216 177.584 -0.064 0.000 1.118 477 A CA -0.694 51.320 52.037 -0.039 0.000 0.757 477 A CB 0.824 19.785 19.000 -0.064 0.000 1.188 477 A HN 1.917 nan 8.150 nan 0.000 0.460 478 V N 0.173 120.019 119.914 -0.114 0.000 3.007 478 V HA 0.969 5.089 4.120 -0.000 0.000 0.311 478 V C 0.361 176.397 176.094 -0.096 0.000 1.120 478 V CA -0.236 62.011 62.300 -0.089 0.000 0.980 478 V CB 1.336 33.119 31.823 -0.067 0.000 1.033 478 V HN 1.462 nan 8.190 nan 0.000 0.429 479 G N 1.211 109.980 108.800 -0.051 0.000 2.491 479 G HA2 0.470 4.429 3.960 -0.000 0.000 0.242 479 G HA3 0.470 4.429 3.960 -0.000 0.000 0.242 479 G C 0.165 175.061 174.900 -0.005 0.000 1.266 479 G CA 0.859 45.945 45.100 -0.023 0.000 0.844 479 G HN 1.335 nan 8.290 nan 0.000 0.571 480 D N -0.226 120.192 120.400 0.030 0.000 3.031 480 D HA -0.185 4.455 4.640 -0.000 0.000 0.180 480 D C 1.498 177.863 176.300 0.107 0.000 1.571 480 D CA 1.760 55.828 54.000 0.113 0.000 2.057 480 D CB -0.637 40.268 40.800 0.175 0.000 1.356 480 D HN 0.321 nan 8.370 nan 0.000 0.442 481 L N 0.294 121.468 121.223 -0.081 0.000 2.693 481 L HA 0.256 4.595 4.340 -0.000 0.000 0.235 481 L C 1.632 178.194 176.870 -0.514 0.000 1.127 481 L CA 0.502 55.152 54.840 -0.316 0.000 0.914 481 L CB 0.831 42.610 42.059 -0.466 0.000 1.193 481 L HN 0.195 nan 8.230 nan 0.000 0.502 482 V N -1.092 118.627 119.914 -0.326 0.000 0.516 482 V HA -0.252 3.868 4.120 -0.000 0.000 0.092 482 V C 0.930 176.756 176.094 -0.447 0.000 2.243 482 V CA 1.440 63.545 62.300 -0.326 0.000 3.573 482 V CB -2.028 29.626 31.823 -0.282 0.000 0.862 482 V HN 0.771 nan 8.190 nan 0.000 0.902 483 G N -1.254 106.981 108.800 -0.942 0.000 2.351 483 G HA2 0.513 4.473 3.960 -0.000 0.000 0.353 483 G HA3 0.513 4.473 3.960 -0.000 0.000 0.353 483 G C -1.446 172.350 174.900 -1.839 0.000 1.358 483 G CA -0.275 44.236 45.100 -0.982 0.000 0.995 483 G HN 1.151 nan 8.290 nan 0.000 0.611 484 F N -1.229 118.259 119.950 -0.769 0.000 2.626 484 F HA 0.650 5.177 4.527 -0.000 0.000 0.311 484 F C 0.332 175.922 175.800 -0.350 0.000 1.088 484 F CA -1.116 56.432 58.000 -0.753 0.000 0.949 484 F CB 2.167 40.707 39.000 -0.768 0.000 1.322 484 F HN 0.375 nan 8.300 nan 0.000 0.461 485 V N 1.048 120.967 119.914 0.009 0.000 2.498 485 V HA 0.200 4.320 4.120 -0.000 0.000 0.279 485 V C -0.790 175.193 176.094 -0.185 0.000 1.048 485 V CA -0.472 61.855 62.300 0.045 0.000 0.967 485 V CB 0.542 32.428 31.823 0.105 0.000 0.988 485 V HN 0.625 nan 8.190 nan 0.000 0.473 486 H N 2.900 121.984 119.070 0.025 0.000 2.683 486 H HA 0.297 4.853 4.556 -0.000 0.000 0.270 486 H C 0.515 175.816 175.328 -0.044 0.000 1.201 486 H CA -0.520 55.509 56.048 -0.032 0.000 1.277 486 H CB 0.545 30.257 29.762 -0.083 0.000 1.400 486 H HN 0.576 nan 8.280 nan 0.000 0.504 487 D N 0.840 121.262 120.400 0.036 0.000 2.149 487 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 487 D C 0.208 176.515 176.300 0.012 0.000 0.972 487 D CA 1.439 55.449 54.000 0.017 0.000 0.835 487 D CB 0.517 41.321 40.800 0.007 0.000 0.966 487 D HN 0.485 nan 8.370 nan 0.000 0.476 488 D N -0.275 120.135 120.400 0.017 0.000 2.696 488 D HA 0.136 4.776 4.640 -0.000 0.000 0.251 488 D C 1.121 177.423 176.300 0.003 0.000 1.188 488 D CA -0.404 53.598 54.000 0.004 0.000 0.876 488 D CB 1.630 42.434 40.800 0.006 0.000 1.334 488 D HN -0.133 nan 8.370 nan 0.000 0.540 489 L N 2.476 123.670 121.223 -0.049 0.000 2.353 489 L HA -0.060 4.280 4.340 -0.000 0.000 0.220 489 L C 1.804 178.668 176.870 -0.009 0.000 1.133 489 L CA 0.726 55.503 54.840 -0.105 0.000 0.798 489 L CB -0.103 41.733 42.059 -0.372 0.000 0.922 489 L HN 0.133 nan 8.230 nan 0.000 0.445 490 K N -0.270 120.144 120.400 0.022 0.000 2.358 490 K HA 0.273 4.593 4.320 -0.000 0.000 0.197 490 K C -0.108 176.518 176.600 0.044 0.000 1.025 490 K CA 0.223 56.543 56.287 0.055 0.000 1.104 490 K CB 0.969 33.503 32.500 0.056 0.000 0.855 490 K HN 0.035 nan 8.250 nan 0.000 0.531 491 V N 0.516 120.449 119.914 0.032 0.000 2.531 491 V HA 0.436 4.556 4.120 -0.000 0.000 0.301 491 V C 0.398 176.501 176.094 0.014 0.000 1.034 491 V CA -1.416 60.897 62.300 0.022 0.000 0.865 491 V CB 1.641 33.472 31.823 0.013 0.000 0.995 491 V HN 0.200 nan 8.190 nan 0.000 0.424 492 G N 4.899 113.702 108.800 0.005 0.000 2.441 492 G HA2 0.463 4.422 3.960 -0.000 0.000 0.243 492 G HA3 0.463 4.422 3.960 -0.000 0.000 0.243 492 G C -2.544 172.316 174.900 -0.068 0.000 1.281 492 G CA -0.747 44.336 45.100 -0.028 0.000 0.854 492 G HN 0.537 nan 8.290 nan 0.000 0.560 493 P HA 0.155 nan 4.420 nan 0.000 0.269 493 P C 0.626 177.911 177.300 -0.024 0.000 1.215 493 P CA -0.437 62.563 63.100 -0.167 0.000 0.780 493 P CB 0.964 32.427 31.700 -0.394 0.000 0.898 494 K N 1.004 121.424 120.400 0.033 0.000 2.314 494 K HA 0.084 4.404 4.320 -0.000 0.000 0.198 494 K C 0.787 177.469 176.600 0.136 0.000 1.045 494 K CA 1.002 57.329 56.287 0.067 0.000 0.988 494 K CB 0.338 32.863 32.500 0.042 0.000 0.783 494 K HN 0.437 nan 8.250 nan 0.000 0.484 498 V N 3.129 122.872 119.914 -0.285 0.000 2.498 498 V HA 0.172 4.292 4.120 -0.000 0.000 0.283 498 V C -2.126 173.802 176.094 -0.276 0.000 1.015 498 V CA -1.003 61.053 62.300 -0.407 0.000 0.867 498 V CB 1.741 32.970 31.823 -0.990 0.000 1.025 498 V HN 0.155 nan 8.190 nan 0.000 0.441 499 P HA -0.132 nan 4.420 nan 0.000 0.219 499 P C 1.570 178.965 177.300 0.157 0.000 1.146 499 P CA 1.577 64.735 63.100 0.096 0.000 0.808 499 P CB 0.232 32.025 31.700 0.155 0.000 0.779 500 S N -3.602 112.094 115.700 -0.007 0.000 2.562 500 S HA -0.021 4.448 4.470 -0.000 0.000 0.221 500 S C 0.661 175.342 174.600 0.135 0.000 0.975 500 S CA -0.024 58.196 58.200 0.033 0.000 0.918 500 S CB -0.931 62.261 63.200 -0.013 0.000 0.772 500 S HN -0.043 nan 8.310 nan 0.000 0.531 501 Y N 2.790 123.079 120.300 -0.019 0.000 2.300 501 Y HA 0.468 5.018 4.550 -0.000 0.000 0.328 501 Y C 1.949 177.846 175.900 -0.005 0.000 1.270 501 Y CA -1.412 56.654 58.100 -0.057 0.000 1.352 501 Y CB 1.013 39.388 38.460 -0.142 0.000 1.286 501 Y HN 0.294 nan 8.280 nan 0.000 0.536 502 S N -0.606 115.174 115.700 0.132 0.000 2.527 502 S HA 0.208 4.678 4.470 -0.000 0.000 0.225 502 S C 0.246 174.867 174.600 0.035 0.000 1.046 502 S CA 0.100 58.352 58.200 0.086 0.000 0.929 502 S CB -0.102 63.116 63.200 0.030 0.000 0.851 502 S HN 0.353 nan 8.310 nan 0.000 0.565 503 S N 0.854 116.530 115.700 -0.038 0.000 2.502 503 S HA 0.726 5.196 4.470 -0.000 0.000 0.304 503 S C -0.197 174.315 174.600 -0.147 0.000 1.097 503 S CA -0.651 57.502 58.200 -0.078 0.000 1.045 503 S CB 1.573 64.734 63.200 -0.065 0.000 1.019 503 S HN 0.702 nan 8.310 nan 0.000 0.481 504 G N 0.966 109.675 108.800 -0.151 0.000 2.320 504 G HA2 0.426 4.386 3.960 -0.000 0.000 0.300 504 G HA3 0.426 4.386 3.960 -0.000 0.000 0.300 504 G C 0.805 175.611 174.900 -0.156 0.000 1.126 504 G CA -0.415 44.572 45.100 -0.189 0.000 0.896 504 G HN 0.736 nan 8.290 nan 0.000 0.436 505 T N -0.257 114.194 114.554 -0.172 0.000 2.990 505 T HA 0.442 4.792 4.350 -0.000 0.000 0.249 505 T C 0.978 175.621 174.700 -0.095 0.000 1.039 505 T CA 0.488 62.519 62.100 -0.115 0.000 1.036 505 T CB 0.770 69.578 68.868 -0.099 0.000 0.994 505 T HN 0.924 nan 8.240 nan 0.000 0.489 506 G N 0.449 109.170 108.800 -0.132 0.000 2.733 506 G HA2 0.682 4.642 3.960 -0.000 0.000 0.297 506 G HA3 0.682 4.642 3.960 -0.000 0.000 0.297 506 G C -2.070 172.751 174.900 -0.132 0.000 1.422 506 G CA -0.769 44.273 45.100 -0.096 0.000 0.942 506 G HN 0.425 nan 8.290 nan 0.000 0.510 507 I N 0.656 121.190 120.570 -0.060 0.000 2.827 507 I HA 0.653 4.823 4.170 -0.000 0.000 0.298 507 I C -2.049 174.094 176.117 0.043 0.000 1.235 507 I CA -0.719 60.557 61.300 -0.040 0.000 1.021 507 I CB 2.659 40.645 38.000 -0.023 0.000 1.259 507 I HN 0.541 nan 8.210 nan 0.000 0.427 508 D N 3.782 124.221 120.400 0.066 0.000 2.609 508 D HA 0.440 5.080 4.640 -0.000 0.000 0.239 508 D C -1.856 174.523 176.300 0.130 0.000 1.229 508 D CA -0.035 54.014 54.000 0.082 0.000 0.808 508 D CB 1.914 42.740 40.800 0.043 0.000 1.448 508 D HN 0.340 nan 8.370 nan 0.000 0.433 509 Y N -0.445 119.911 120.300 0.093 0.000 2.570 509 Y HA 0.833 5.383 4.550 -0.000 0.000 0.345 509 Y C -0.609 175.388 175.900 0.163 0.000 1.014 509 Y CA -1.599 56.558 58.100 0.096 0.000 1.063 509 Y CB 1.113 39.616 38.460 0.072 0.000 1.272 509 Y HN 0.343 nan 8.280 nan 0.000 0.477 510 A N 2.306 125.313 122.820 0.311 0.000 2.396 510 A HA 0.221 4.541 4.320 -0.000 0.000 0.279 510 A C 1.127 178.870 177.584 0.264 0.000 1.165 510 A CA -0.105 52.076 52.037 0.239 0.000 0.824 510 A CB 0.039 19.240 19.000 0.336 0.000 1.100 510 A HN 0.968 nan 8.150 nan 0.000 0.516 511 E N 2.539 122.798 120.200 0.098 0.000 2.130 511 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 511 E C 1.183 177.914 176.600 0.219 0.000 0.998 511 E CA 1.965 58.500 56.400 0.225 0.000 0.806 511 E CB -0.183 29.572 29.700 0.091 0.000 0.738 511 E HN 0.776 nan 8.360 nan 0.000 0.459 512 L N -0.843 120.463 121.223 0.138 0.000 2.554 512 L HA 0.177 4.517 4.340 -0.000 0.000 0.225 512 L C 0.083 177.017 176.870 0.106 0.000 1.104 512 L CA -0.144 54.756 54.840 0.101 0.000 0.866 512 L CB 0.862 42.955 42.059 0.057 0.000 1.047 512 L HN -0.106 nan 8.230 nan 0.000 0.468 513 V N 0.215 120.218 119.914 0.149 0.000 2.361 513 V HA 0.199 4.319 4.120 -0.000 0.000 0.252 513 V C -1.768 174.466 176.094 0.232 0.000 0.986 513 V CA -0.701 61.694 62.300 0.158 0.000 1.033 513 V CB 0.714 32.615 31.823 0.130 0.000 1.282 513 V HN 0.000 nan 8.190 nan 0.000 0.514 514 P HA -0.132 nan 4.420 nan 0.000 0.221 514 P C 1.534 178.916 177.300 0.137 0.000 1.145 514 P CA 1.175 64.390 63.100 0.191 0.000 0.795 514 P CB 0.067 31.803 31.700 0.059 0.000 0.775 515 N N -0.995 117.785 118.700 0.132 0.000 2.381 515 N HA -0.139 4.601 4.740 -0.000 0.000 0.182 515 N C 0.698 176.300 175.510 0.153 0.000 1.025 515 N CA 0.472 53.585 53.050 0.105 0.000 0.888 515 N CB -0.739 37.813 38.487 0.108 0.000 0.965 515 N HN 0.162 nan 8.380 nan 0.000 0.438 519 L N 3.127 124.102 121.223 -0.412 0.000 2.356 519 L HA 0.851 5.191 4.340 -0.000 0.000 0.277 519 L C -0.448 176.027 176.870 -0.658 0.000 0.996 519 L CA -0.493 53.989 54.840 -0.596 0.000 0.822 519 L CB 1.996 43.402 42.059 -1.088 0.000 1.256 519 L HN 1.317 nan 8.230 nan 0.000 0.413 520 V N 2.517 122.072 119.914 -0.598 0.000 2.630 520 V HA 1.074 5.194 4.120 -0.000 0.000 0.305 520 V C -0.087 175.679 176.094 -0.546 0.000 1.046 520 V CA 0.103 61.970 62.300 -0.722 0.000 0.934 520 V CB 0.922 32.269 31.823 -0.793 0.000 1.003 520 V HN 1.193 nan 8.190 nan 0.000 0.451 521 A N 3.200 125.648 122.820 -0.619 0.000 2.602 521 A HA 0.784 5.104 4.320 -0.000 0.000 0.290 521 A C -0.781 176.527 177.584 -0.461 0.000 1.114 521 A CA -1.098 50.561 52.037 -0.630 0.000 0.683 521 A CB 1.702 19.985 19.000 -1.196 0.000 1.281 521 A HN 0.872 nan 8.150 nan 0.000 0.416 522 K N -0.123 120.078 120.400 -0.332 0.000 2.123 522 K HA 0.777 5.097 4.320 -0.000 0.000 0.248 522 K C -0.143 176.337 176.600 -0.199 0.000 0.969 522 K CA -0.185 55.974 56.287 -0.213 0.000 0.882 522 K CB 2.094 34.521 32.500 -0.123 0.000 1.080 522 K HN 0.972 nan 8.250 nan 0.000 0.441 529 K N 3.786 124.276 120.400 0.150 0.000 2.322 529 K HA 0.425 4.745 4.320 -0.000 0.000 0.283 529 K C 0.529 177.233 176.600 0.174 0.000 1.042 529 K CA 0.135 56.516 56.287 0.157 0.000 0.958 529 K CB 0.674 33.272 32.500 0.164 0.000 0.984 529 K HN 0.546 nan 8.250 nan 0.000 0.473 530 K N 2.052 122.509 120.400 0.094 0.000 2.410 530 K HA 0.220 4.540 4.320 -0.000 0.000 0.200 530 K C 0.027 176.293 176.600 -0.556 0.000 1.023 530 K CA -0.017 56.163 56.287 -0.178 0.000 1.149 530 K CB 0.127 32.576 32.500 -0.086 0.000 0.859 530 K HN 0.493 nan 8.250 nan 0.000 0.514 531 I N 0.039 120.260 120.570 -0.581 0.000 2.530 531 I HA 0.209 4.379 4.170 -0.000 0.000 0.297 531 I C -0.994 174.775 176.117 -0.579 0.000 1.011 531 I CA -0.443 60.313 61.300 -0.906 0.000 1.107 531 I CB 1.979 39.230 38.000 -1.249 0.000 1.285 531 I HN -0.130 nan 8.210 nan 0.000 0.436 532 S N 5.286 120.561 115.700 -0.708 0.000 2.568 532 S HA 0.694 5.164 4.470 -0.000 0.000 0.293 532 S C -1.155 172.960 174.600 -0.808 0.000 1.089 532 S CA -0.387 57.458 58.200 -0.592 0.000 0.945 532 S CB 1.550 64.559 63.200 -0.319 0.000 1.077 532 S HN 0.405 nan 8.310 nan 0.000 0.485 533 F N 0.791 120.505 119.950 -0.393 0.000 2.561 533 F HA 0.723 5.250 4.527 -0.000 0.000 0.321 533 F C 0.468 175.904 175.800 -0.608 0.000 1.065 533 F CA -0.697 56.971 58.000 -0.553 0.000 0.934 533 F CB 2.067 40.586 39.000 -0.802 0.000 1.215 533 F HN 0.476 nan 8.300 nan 0.000 0.471 534 S N 0.529 115.816 115.700 -0.689 0.000 2.547 534 S HA 0.484 4.954 4.470 -0.000 0.000 0.281 534 S C -0.907 173.362 174.600 -0.553 0.000 1.118 534 S CA -0.421 57.267 58.200 -0.853 0.000 0.947 534 S CB 0.679 62.894 63.200 -1.643 0.000 1.053 534 S HN 0.535 nan 8.310 nan 0.000 0.482 535 Y N 1.588 121.870 120.300 -0.031 0.000 2.467 535 Y HA 0.253 4.802 4.550 -0.000 0.000 0.250 535 Y C 0.890 176.782 175.900 -0.013 0.000 1.155 535 Y CA -0.460 57.689 58.100 0.081 0.000 1.249 535 Y CB 0.325 38.870 38.460 0.142 0.000 1.146 535 Y HN 0.669 nan 8.280 nan 0.000 0.524 536 D N -1.469 118.925 120.400 -0.010 0.000 2.772 536 D HA 0.287 4.927 4.640 -0.000 0.000 0.272 536 D C 1.418 177.652 176.300 -0.109 0.000 1.314 536 D CA -0.048 53.931 54.000 -0.035 0.000 0.835 536 D CB -0.007 40.778 40.800 -0.026 0.000 1.080 536 D HN 0.197 nan 8.370 nan 0.000 0.482 537 G N -0.278 108.439 108.800 -0.139 0.000 2.198 537 G HA2 -0.037 3.922 3.960 -0.000 0.000 0.260 537 G HA3 -0.037 3.922 3.960 -0.000 0.000 0.260 537 G C 1.132 175.909 174.900 -0.204 0.000 1.025 537 G CA 0.325 45.343 45.100 -0.138 0.000 0.769 537 G HN 1.468 nan 8.290 nan 0.000 0.507 538 G N -1.410 107.111 108.800 -0.465 0.000 2.176 538 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.232 538 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.232 538 G C 1.236 175.969 174.900 -0.279 0.000 0.986 538 G CA 1.037 45.798 45.100 -0.565 0.000 0.643 538 G HN 0.889 nan 8.290 nan 0.000 0.522 539 R N -0.067 120.300 120.500 -0.222 0.000 2.092 539 R HA 0.037 4.377 4.340 -0.000 0.000 0.231 539 R C 0.385 176.644 176.300 -0.069 0.000 1.119 539 R CA 1.163 57.225 56.100 -0.064 0.000 0.970 539 R CB -0.142 30.131 30.300 -0.045 0.000 0.864 539 R HN 0.449 nan 8.270 nan 0.000 0.440 540 N N -0.700 117.845 118.700 -0.259 0.000 2.235 540 N HA 0.198 4.938 4.740 -0.000 0.000 0.293 540 N C -1.495 173.794 175.510 -0.368 0.000 1.083 540 N CA -0.413 52.551 53.050 -0.143 0.000 0.801 540 N CB 1.808 40.283 38.487 -0.020 0.000 1.559 540 N HN -0.060 nan 8.380 nan 0.000 0.472 541 W N 1.453 122.749 121.300 -0.006 0.000 2.864 541 W HA 0.579 5.239 4.660 -0.000 0.000 0.343 541 W C -0.343 176.210 176.519 0.058 0.000 1.109 541 W CA -0.806 56.501 57.345 -0.064 0.000 1.192 541 W CB 1.047 30.392 29.460 -0.192 0.000 1.426 541 W HN 0.380 nan 8.180 nan 0.000 0.529 542 F N 0.096 120.147 119.950 0.168 0.000 2.577 542 F HA 0.776 5.303 4.527 -0.000 0.000 0.318 542 F C -0.741 175.154 175.800 0.158 0.000 1.065 542 F CA -1.537 56.547 58.000 0.139 0.000 0.929 542 F CB 1.361 40.443 39.000 0.137 0.000 1.237 542 F HN 0.234 nan 8.300 nan 0.000 0.468 543 Q N 3.914 123.813 119.800 0.165 0.000 2.256 543 Q HA 0.509 4.849 4.340 -0.000 0.000 0.257 543 Q C -2.426 173.757 176.000 0.306 0.000 0.936 543 Q CA -1.882 53.972 55.803 0.085 0.000 0.903 543 Q CB 1.285 30.079 28.738 0.093 0.000 1.263 543 Q HN 0.488 nan 8.270 nan 0.000 0.440 544 P HA 0.142 nan 4.420 nan 0.000 0.275 544 P C -2.107 175.395 177.300 0.337 0.000 1.266 544 P CA -1.230 62.138 63.100 0.447 0.000 0.793 544 P CB 0.450 32.484 31.700 0.557 0.000 1.074 545 P HA 0.010 nan 4.420 nan 0.000 0.227 545 P C -0.066 177.378 177.300 0.241 0.000 1.161 545 P CA 1.190 64.428 63.100 0.230 0.000 0.788 545 P CB 0.365 32.177 31.700 0.186 0.000 0.822 546 N N -0.048 118.853 118.700 0.336 0.000 2.262 546 N HA 0.274 5.014 4.740 -0.000 0.000 0.295 546 N C -0.521 175.284 175.510 0.492 0.000 1.161 546 N CA -0.501 52.767 53.050 0.364 0.000 0.767 546 N CB 2.246 40.960 38.487 0.379 0.000 1.499 546 N HN -0.019 nan 8.380 nan 0.000 0.476 547 E N 0.293 120.617 120.200 0.206 0.000 2.222 547 E HA 0.634 4.984 4.350 -0.000 0.000 0.267 547 E C -0.387 175.765 176.600 -0.746 0.000 0.963 547 E CA -1.006 55.339 56.400 -0.092 0.000 0.837 547 E CB 1.772 31.429 29.700 -0.071 0.000 1.183 547 E HN 0.627 nan 8.360 nan 0.000 0.403 548 A N 2.647 124.536 122.820 -1.552 0.000 2.507 548 A HA 0.192 4.512 4.320 -0.000 0.000 0.235 548 A C -2.192 174.913 177.584 -0.797 0.000 1.070 548 A CA -0.899 50.395 52.037 -1.239 0.000 0.768 548 A CB -0.527 17.628 19.000 -1.407 0.000 1.011 548 A HN 0.295 nan 8.150 nan 0.000 0.502 549 P HA 0.172 nan 4.420 nan 0.000 0.263 549 P C -0.775 176.238 177.300 -0.478 0.000 1.195 549 P CA 0.468 63.344 63.100 -0.373 0.000 0.762 549 P CB 0.159 31.713 31.700 -0.244 0.000 0.799 550 N N -0.613 117.841 118.700 -0.410 0.000 2.710 550 N HA 0.334 5.074 4.740 -0.000 0.000 0.257 550 N C 0.158 175.513 175.510 -0.260 0.000 1.327 550 N CA -0.754 52.049 53.050 -0.412 0.000 0.861 550 N CB 0.693 38.816 38.487 -0.608 0.000 1.532 550 N HN 0.075 nan 8.380 nan 0.000 0.499 551 S N -0.362 115.210 115.700 -0.213 0.000 2.460 551 S HA 0.036 4.506 4.470 -0.000 0.000 0.226 551 S C 1.165 175.689 174.600 -0.126 0.000 1.057 551 S CA 0.928 59.039 58.200 -0.148 0.000 0.948 551 S CB -0.440 62.686 63.200 -0.122 0.000 0.822 551 S HN 1.093 nan 8.310 nan 0.000 0.512 552 V N -1.989 117.847 119.914 -0.130 0.000 3.199 552 V HA 0.717 4.837 4.120 -0.000 0.000 0.331 552 V C 1.040 177.082 176.094 -0.087 0.000 1.446 552 V CA -0.270 61.971 62.300 -0.098 0.000 1.120 552 V CB -0.694 31.077 31.823 -0.086 0.000 1.051 552 V HN 0.812 nan 8.190 nan 0.000 0.495 553 G N 1.193 109.937 108.800 -0.094 0.000 2.550 553 G HA2 0.175 4.135 3.960 -0.000 0.000 0.277 553 G HA3 0.175 4.135 3.960 -0.000 0.000 0.277 553 G C 1.168 176.109 174.900 0.069 0.000 1.190 553 G CA 0.634 45.759 45.100 0.042 0.000 0.971 553 G HN 2.405 nan 8.290 nan 0.000 0.559 554 G N -1.243 107.610 108.800 0.087 0.000 2.575 554 G HA2 0.398 4.358 3.960 -0.000 0.000 0.267 554 G HA3 0.398 4.358 3.960 -0.000 0.000 0.267 554 G C 1.458 176.447 174.900 0.148 0.000 1.264 554 G CA 1.722 46.838 45.100 0.026 0.000 0.935 554 G HN 3.297 nan 8.290 nan 0.000 0.568 555 G N -1.852 106.976 108.800 0.046 0.000 2.528 555 G HA2 0.332 4.292 3.960 -0.000 0.000 0.262 555 G HA3 0.332 4.292 3.960 -0.000 0.000 0.262 555 G C 0.576 175.517 174.900 0.068 0.000 1.200 555 G CA 1.908 47.043 45.100 0.059 0.000 0.951 555 G HN 2.926 nan 8.290 nan 0.000 0.566 556 S N -1.987 113.782 115.700 0.114 0.000 2.671 556 S HA 0.831 5.301 4.470 -0.000 0.000 0.299 556 S C -0.777 173.898 174.600 0.126 0.000 1.116 556 S CA 0.129 58.378 58.200 0.082 0.000 0.912 556 S CB 2.196 65.441 63.200 0.075 0.000 1.130 556 S HN 2.238 nan 8.310 nan 0.000 0.501 557 V N -0.071 119.887 119.914 0.074 0.000 2.841 557 V HA 0.865 4.984 4.120 -0.000 0.000 0.310 557 V C -1.078 175.111 176.094 0.157 0.000 1.090 557 V CA -0.271 62.086 62.300 0.096 0.000 0.930 557 V CB 1.703 33.491 31.823 -0.058 0.000 1.014 557 V HN 1.577 nan 8.190 nan 0.000 0.425 558 A N 5.381 128.354 122.820 0.256 0.000 2.374 558 A HA 0.864 5.184 4.320 -0.000 0.000 0.305 558 A C -1.363 176.482 177.584 0.435 0.000 1.053 558 A CA -0.510 51.726 52.037 0.332 0.000 0.726 558 A CB 1.906 21.182 19.000 0.460 0.000 1.229 558 A HN 1.001 nan 8.150 nan 0.000 0.431 559 V N 2.127 122.225 119.914 0.305 0.000 2.459 559 V HA 0.631 4.750 4.120 -0.000 0.000 0.295 559 V C 0.891 177.100 176.094 0.192 0.000 1.029 559 V CA -0.399 62.101 62.300 0.334 0.000 0.874 559 V CB 1.390 33.386 31.823 0.289 0.000 0.985 559 V HN 1.292 nan 8.190 nan 0.000 0.438 560 A N 3.678 126.669 122.820 0.284 0.000 2.520 560 A HA 0.480 4.800 4.320 -0.000 0.000 0.235 560 A C 1.660 179.239 177.584 -0.007 0.000 1.065 560 A CA 0.560 52.618 52.037 0.034 0.000 0.764 560 A CB 0.192 19.311 19.000 0.199 0.000 1.002 560 A HN 1.467 nan 8.150 nan 0.000 0.502 561 A N 1.462 124.228 122.820 -0.090 0.000 1.940 561 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 561 A C 1.347 178.942 177.584 0.018 0.000 1.176 561 A CA 2.119 54.136 52.037 -0.033 0.000 0.631 561 A CB -0.522 18.451 19.000 -0.045 0.000 0.814 561 A HN 0.933 nan 8.150 nan 0.000 0.446 562 D N -2.606 117.798 120.400 0.006 0.000 2.340 562 D HA 0.434 5.074 4.640 -0.000 0.000 0.217 562 D C 0.720 177.001 176.300 -0.033 0.000 1.081 562 D CA 0.663 54.662 54.000 -0.001 0.000 0.842 562 D CB -0.215 40.577 40.800 -0.014 0.000 0.934 562 D HN 1.000 nan 8.370 nan 0.000 0.511 563 A N 0.119 122.933 122.820 -0.010 0.000 2.979 563 A HA -0.321 3.999 4.320 -0.000 0.000 0.260 563 A C 1.515 178.939 177.584 -0.267 0.000 1.282 563 A CA 1.462 53.405 52.037 -0.157 0.000 0.971 563 A CB -2.417 16.362 19.000 -0.368 0.000 1.124 563 A HN 0.354 nan 8.150 nan 0.000 0.826 564 K N -0.187 120.152 120.400 -0.102 0.000 2.365 564 K HA 0.095 4.415 4.320 -0.000 0.000 0.197 564 K C 0.759 177.331 176.600 -0.048 0.000 1.042 564 K CA 1.115 57.344 56.287 -0.098 0.000 0.987 564 K CB 0.061 32.529 32.500 -0.053 0.000 0.779 564 K HN 1.124 nan 8.250 nan 0.000 0.484 565 S N -0.729 115.010 115.700 0.064 0.000 2.579 565 S HA 0.547 5.017 4.470 -0.000 0.000 0.272 565 S C -0.805 173.946 174.600 0.252 0.000 1.141 565 S CA -0.952 57.304 58.200 0.093 0.000 0.843 565 S CB 2.396 65.632 63.200 0.061 0.000 1.122 565 S HN -0.173 nan 8.310 nan 0.000 0.468 566 V N 2.068 122.096 119.914 0.190 0.000 2.623 566 V HA 0.481 4.601 4.120 -0.000 0.000 0.304 566 V C -0.908 175.364 176.094 0.297 0.000 1.054 566 V CA -0.598 61.907 62.300 0.341 0.000 0.882 566 V CB 1.600 33.711 31.823 0.479 0.000 1.002 566 V HN 0.929 nan 8.190 nan 0.000 0.424 567 I N 4.265 125.004 120.570 0.282 0.000 2.312 567 I HA 0.311 4.481 4.170 -0.000 0.000 0.290 567 I C -0.892 175.466 176.117 0.402 0.000 1.008 567 I CA -0.262 61.198 61.300 0.266 0.000 1.226 567 I CB 1.133 39.153 38.000 0.034 0.000 1.371 567 I HN 0.629 nan 8.210 nan 0.000 0.468 568 W N 7.128 128.570 121.300 0.236 0.000 2.335 568 W HA 0.379 5.039 4.660 -0.000 0.000 0.307 568 W C -0.561 175.913 176.519 -0.074 0.000 1.117 568 W CA -0.997 56.365 57.345 0.027 0.000 1.228 568 W CB 1.331 30.678 29.460 -0.187 0.000 1.240 568 W HN 0.320 nan 8.180 nan 0.000 0.468 569 T N 9.094 123.802 114.554 0.258 0.000 3.145 569 T HA 0.262 4.612 4.350 -0.000 0.000 0.362 569 T C -2.373 172.296 174.700 -0.053 0.000 1.340 569 T CA -1.193 60.902 62.100 -0.009 0.000 1.069 569 T CB 0.687 69.548 68.868 -0.013 0.000 1.129 569 T HN 0.096 nan 8.240 nan 0.000 0.585 570 P HA 0.147 nan 4.420 nan 0.000 0.272 570 P C 0.118 177.298 177.300 -0.200 0.000 1.240 570 P CA -0.641 62.232 63.100 -0.377 0.000 0.791 570 P CB 0.607 31.785 31.700 -0.870 0.000 0.978 571 E N 1.910 122.036 120.200 -0.123 0.000 2.465 571 E HA -0.087 4.263 4.350 -0.000 0.000 0.260 571 E C -0.062 176.458 176.600 -0.133 0.000 0.980 571 E CA 0.095 56.433 56.400 -0.103 0.000 0.927 571 E CB -0.468 29.184 29.700 -0.080 0.000 0.934 571 E HN 0.338 nan 8.360 nan 0.000 0.459 572 N N 1.009 119.643 118.700 -0.110 0.000 2.725 572 N HA -0.236 4.504 4.740 -0.000 0.000 0.249 572 N C -1.157 174.270 175.510 -0.139 0.000 1.103 572 N CA 1.221 54.207 53.050 -0.107 0.000 0.707 572 N CB -1.349 37.082 38.487 -0.094 0.000 1.043 572 N HN 0.506 nan 8.380 nan 0.000 0.553 573 A N -1.264 121.451 122.820 -0.174 0.000 2.593 573 A HA 0.800 5.120 4.320 -0.000 0.000 0.290 573 A C -0.235 177.213 177.584 -0.227 0.000 1.126 573 A CA -0.400 51.505 52.037 -0.219 0.000 0.695 573 A CB 1.226 20.042 19.000 -0.307 0.000 1.290 573 A HN 0.033 nan 8.150 nan 0.000 0.414 574 S N 1.369 116.922 115.700 -0.244 0.000 2.616 574 S HA 0.590 5.060 4.470 -0.000 0.000 0.277 574 S C -2.603 171.838 174.600 -0.264 0.000 1.234 574 S CA -0.913 57.130 58.200 -0.262 0.000 1.028 574 S CB 0.698 63.747 63.200 -0.251 0.000 0.988 574 S HN 0.516 nan 8.310 nan 0.000 0.522 575 P HA 0.215 nan 4.420 nan 0.000 0.264 575 P C -1.276 175.950 177.300 -0.125 0.000 1.183 575 P CA 0.180 63.163 63.100 -0.194 0.000 0.763 575 P CB 0.262 31.792 31.700 -0.284 0.000 0.807 576 A N 3.049 125.862 122.820 -0.012 0.000 2.414 576 A HA 0.612 4.932 4.320 -0.000 0.000 0.306 576 A C -1.089 176.735 177.584 0.400 0.000 1.054 576 A CA -0.737 51.384 52.037 0.140 0.000 0.724 576 A CB 1.635 20.686 19.000 0.085 0.000 1.267 576 A HN 0.414 nan 8.150 nan 0.000 0.418 577 V N 1.252 121.358 119.914 0.320 0.000 2.581 577 V HA 0.825 4.944 4.120 -0.000 0.000 0.303 577 V C -0.021 176.089 176.094 0.027 0.000 1.041 577 V CA 0.089 62.501 62.300 0.188 0.000 0.907 577 V CB 1.970 33.780 31.823 -0.023 0.000 0.994 577 V HN 1.108 nan 8.190 nan 0.000 0.442 578 T N 2.619 117.010 114.554 -0.273 0.000 2.863 578 T HA 0.508 4.858 4.350 -0.000 0.000 0.285 578 T C 0.435 174.960 174.700 -0.292 0.000 1.009 578 T CA 0.223 61.986 62.100 -0.561 0.000 0.989 578 T CB 1.361 69.446 68.868 -1.304 0.000 1.004 578 T HN 0.996 nan 8.240 nan 0.000 0.455 579 T N 0.026 114.435 114.554 -0.242 0.000 3.132 579 T HA 0.344 4.694 4.350 -0.000 0.000 0.274 579 T C 0.458 175.052 174.700 -0.177 0.000 1.011 579 T CA -0.277 61.724 62.100 -0.164 0.000 0.899 579 T CB 0.180 68.981 68.868 -0.111 0.000 1.089 579 T HN 0.539 nan 8.240 nan 0.000 0.543 580 D N 1.394 121.652 120.400 -0.237 0.000 2.433 580 D HA 0.133 4.773 4.640 -0.000 0.000 0.211 580 D C 0.022 176.216 176.300 -0.177 0.000 1.114 580 D CA -0.163 53.724 54.000 -0.187 0.000 0.837 580 D CB 0.187 40.862 40.800 -0.208 0.000 0.984 580 D HN 0.106 nan 8.370 nan 0.000 0.505 581 N N 0.570 119.101 118.700 -0.282 0.000 2.716 581 N HA -0.212 4.528 4.740 -0.000 0.000 0.250 581 N C 0.924 176.315 175.510 -0.198 0.000 1.033 581 N CA 1.241 54.017 53.050 -0.456 0.000 0.727 581 N CB -1.443 36.919 38.487 -0.209 0.000 0.950 581 N HN 0.439 nan 8.380 nan 0.000 0.541 582 G N -1.459 107.197 108.800 -0.240 0.000 2.143 582 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.249 582 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.249 582 G C 1.026 175.990 174.900 0.106 0.000 0.981 582 G CA 0.422 45.499 45.100 -0.038 0.000 0.665 582 G HN 0.486 nan 8.290 nan 0.000 0.528 583 N N 0.325 119.028 118.700 0.006 0.000 2.188 583 N HA 0.035 4.775 4.740 -0.000 0.000 0.184 583 N C 1.364 176.906 175.510 0.053 0.000 1.018 583 N CA 1.613 54.704 53.050 0.068 0.000 0.858 583 N CB -0.001 38.507 38.487 0.035 0.000 0.989 583 N HN 1.038 nan 8.380 nan 0.000 0.426 584 S N -1.561 114.087 115.700 -0.088 0.000 2.564 584 S HA 0.629 5.099 4.470 -0.000 0.000 0.274 584 S C -1.609 172.845 174.600 -0.243 0.000 1.124 584 S CA -0.966 57.215 58.200 -0.032 0.000 0.869 584 S CB 1.446 64.642 63.200 -0.006 0.000 1.105 584 S HN 0.178 nan 8.310 nan 0.000 0.472 585 W N 0.504 121.841 121.300 0.062 0.000 2.864 585 W HA 0.738 5.398 4.660 -0.000 0.000 0.343 585 W C -0.256 176.271 176.519 0.015 0.000 1.109 585 W CA -0.566 56.811 57.345 0.054 0.000 1.192 585 W CB 2.163 31.659 29.460 0.060 0.000 1.426 585 W HN 0.757 nan 8.180 nan 0.000 0.529 586 K N 1.427 121.977 120.400 0.250 0.000 2.541 586 K HA 0.518 4.838 4.320 -0.000 0.000 0.250 586 K C -1.182 175.482 176.600 0.108 0.000 0.950 586 K CA -0.637 55.724 56.287 0.124 0.000 0.805 586 K CB 1.686 34.219 32.500 0.055 0.000 1.166 586 K HN 0.291 nan 8.250 nan 0.000 0.430 587 V N 4.145 124.090 119.914 0.050 0.000 2.585 587 V HA -0.019 4.101 4.120 -0.000 0.000 0.296 587 V C 0.105 176.193 176.094 -0.009 0.000 1.035 587 V CA -0.526 61.771 62.300 -0.006 0.000 1.084 587 V CB 0.328 32.120 31.823 -0.051 0.000 0.953 587 V HN 0.848 nan 8.190 nan 0.000 0.483 588 C N 4.945 124.229 119.300 -0.027 0.000 2.632 588 C HA 0.336 4.796 4.460 -0.000 0.000 0.415 588 C C 1.327 176.300 174.990 -0.028 0.000 1.332 588 C CA -0.607 58.423 59.018 0.020 0.000 1.874 588 C CB -0.560 27.198 27.740 0.030 0.000 2.596 588 C HN 1.019 nan 8.230 nan 0.000 0.590 589 T N 0.776 115.356 114.554 0.043 0.000 2.930 589 T HA 0.185 4.535 4.350 -0.000 0.000 0.306 589 T C 0.508 175.194 174.700 -0.022 0.000 1.045 589 T CA 0.172 62.280 62.100 0.013 0.000 1.134 589 T CB -0.073 68.823 68.868 0.046 0.000 0.961 589 T HN 0.910 nan 8.240 nan 0.000 0.545 590 N N -0.083 118.566 118.700 -0.085 0.000 2.965 590 N HA -0.139 4.601 4.740 -0.000 0.000 0.232 590 N C -0.300 174.924 175.510 -0.476 0.000 0.913 590 N CA 0.959 53.931 53.050 -0.129 0.000 0.981 590 N CB -1.342 37.186 38.487 0.068 0.000 1.077 590 N HN 0.620 nan 8.380 nan 0.000 0.589 591 L N -1.066 119.781 121.223 -0.626 0.000 2.391 591 L HA 0.914 5.254 4.340 -0.000 0.000 0.266 591 L C 0.985 177.207 176.870 -1.081 0.000 1.035 591 L CA -0.583 53.568 54.840 -1.149 0.000 0.877 591 L CB 1.583 43.004 42.059 -1.064 0.000 1.504 591 L HN 0.090 nan 8.230 nan 0.000 0.503 595 A N 0.579 123.466 122.820 0.112 0.000 2.531 595 A HA 0.530 4.850 4.320 -0.000 0.000 0.236 595 A C 0.235 177.849 177.584 0.050 0.000 1.062 595 A CA 0.363 52.456 52.037 0.092 0.000 0.760 595 A CB 0.610 19.460 19.000 -0.250 0.000 0.995 595 A HN 0.782 nan 8.150 nan 0.000 0.501 596 V N 4.471 124.458 119.914 0.122 0.000 2.294 596 V HA 0.290 4.410 4.120 -0.000 0.000 0.272 596 V C -0.089 176.088 176.094 0.138 0.000 1.027 596 V CA -0.373 62.006 62.300 0.132 0.000 0.823 596 V CB 0.785 32.707 31.823 0.165 0.000 1.030 596 V HN 0.600 nan 8.190 nan 0.000 0.457 597 V N 4.138 124.122 119.914 0.117 0.000 2.472 597 V HA 0.890 5.010 4.120 -0.000 0.000 0.290 597 V C 0.385 176.643 176.094 0.273 0.000 1.037 597 V CA -0.270 62.130 62.300 0.166 0.000 0.908 597 V CB 1.621 33.506 31.823 0.103 0.000 0.985 597 V HN 0.940 nan 8.190 nan 0.000 0.454 598 A N 3.270 126.318 122.820 0.379 0.000 2.475 598 A HA 0.855 5.175 4.320 -0.000 0.000 0.301 598 A C -0.180 177.641 177.584 0.396 0.000 1.059 598 A CA -0.480 51.789 52.037 0.387 0.000 0.710 598 A CB 1.929 21.174 19.000 0.408 0.000 1.288 598 A HN 0.980 nan 8.150 nan 0.000 0.408 599 S N 0.784 116.587 115.700 0.172 0.000 2.616 599 S HA 0.525 4.995 4.470 -0.000 0.000 0.277 599 S C -0.270 174.290 174.600 -0.067 0.000 1.234 599 S CA -0.431 57.587 58.200 -0.304 0.000 1.028 599 S CB 1.114 63.955 63.200 -0.599 0.000 0.988 599 S HN 0.731 nan 8.310 nan 0.000 0.522 600 D N -0.171 120.114 120.400 -0.193 0.000 2.399 600 D HA 0.173 4.812 4.640 -0.000 0.000 0.241 600 D C 1.068 177.358 176.300 -0.016 0.000 1.133 600 D CA -0.333 53.721 54.000 0.090 0.000 0.890 600 D CB 0.661 41.490 40.800 0.048 0.000 1.201 600 D HN 0.411 nan 8.370 nan 0.000 0.432 601 R N 2.533 123.067 120.500 0.058 0.000 2.312 601 R HA 0.093 4.432 4.340 -0.000 0.000 0.205 601 R C 0.692 177.001 176.300 0.016 0.000 0.904 601 R CA 0.174 56.285 56.100 0.018 0.000 1.052 601 R CB 0.228 30.551 30.300 0.039 0.000 1.014 601 R HN 0.341 nan 8.270 nan 0.000 0.503 602 V N 0.173 120.100 119.914 0.022 0.000 2.840 602 V HA 0.083 4.203 4.120 -0.000 0.000 0.234 602 V C 0.636 176.734 176.094 0.007 0.000 1.159 602 V CA 0.144 62.455 62.300 0.018 0.000 1.194 602 V CB -0.040 31.800 31.823 0.028 0.000 0.971 602 V HN 0.126 nan 8.190 nan 0.000 0.494 603 N N 1.518 120.221 118.700 0.006 0.000 2.420 603 N HA 0.201 4.941 4.740 -0.000 0.000 0.249 603 N C 0.994 176.467 175.510 -0.062 0.000 1.033 603 N CA 0.553 53.597 53.050 -0.011 0.000 0.944 603 N CB 1.569 40.065 38.487 0.014 0.000 1.113 603 N HN 0.309 nan 8.380 nan 0.000 0.502 604 G N 2.874 111.646 108.800 -0.047 0.000 2.559 604 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.216 604 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.216 604 G C 1.283 176.181 174.900 -0.003 0.000 1.126 604 G CA 0.503 45.572 45.100 -0.052 0.000 0.778 604 G HN 0.451 nan 8.290 nan 0.000 0.543 605 K N 0.167 120.566 120.400 -0.002 0.000 2.400 605 K HA 0.141 4.461 4.320 -0.000 0.000 0.194 605 K C 0.655 177.271 176.600 0.026 0.000 1.033 605 K CA 0.231 56.541 56.287 0.037 0.000 1.021 605 K CB 0.386 32.893 32.500 0.012 0.000 0.808 605 K HN 0.238 nan 8.250 nan 0.000 0.505 606 K N 0.458 120.804 120.400 -0.089 0.000 2.213 606 K HA 0.346 4.666 4.320 -0.000 0.000 0.270 606 K C -0.750 175.569 176.600 -0.468 0.000 1.002 606 K CA -0.309 55.845 56.287 -0.222 0.000 0.868 606 K CB 0.876 33.257 32.500 -0.200 0.000 1.093 606 K HN -0.214 nan 8.250 nan 0.000 0.454 607 F N 1.475 121.125 119.950 -0.501 0.000 2.620 607 F HA 0.468 4.995 4.527 -0.000 0.000 0.320 607 F C -0.631 174.892 175.800 -0.461 0.000 1.069 607 F CA -0.833 56.948 58.000 -0.364 0.000 0.953 607 F CB 1.442 40.430 39.000 -0.020 0.000 1.322 607 F HN 0.347 nan 8.300 nan 0.000 0.479 608 Y N 0.503 121.122 120.300 0.532 0.000 2.545 608 Y HA 0.803 5.353 4.550 -0.000 0.000 0.348 608 Y C -0.483 175.548 175.900 0.219 0.000 1.002 608 Y CA -1.548 56.761 58.100 0.349 0.000 1.039 608 Y CB 2.062 40.760 38.460 0.397 0.000 1.271 608 Y HN 0.649 nan 8.280 nan 0.000 0.467 609 A N 1.776 124.588 122.820 -0.013 0.000 2.517 609 A HA 0.641 4.961 4.320 -0.000 0.000 0.297 609 A C -2.315 175.166 177.584 -0.172 0.000 1.050 609 A CA -0.574 51.401 52.037 -0.103 0.000 0.694 609 A CB 0.802 19.581 19.000 -0.367 0.000 1.277 609 A HN 0.654 nan 8.150 nan 0.000 0.400 610 F N 2.983 122.909 119.950 -0.039 0.000 2.385 610 F HA 0.673 5.200 4.527 -0.000 0.000 0.360 610 F C -1.069 174.821 175.800 0.150 0.000 1.122 610 F CA -0.231 57.833 58.000 0.106 0.000 1.090 610 F CB 0.929 40.021 39.000 0.154 0.000 1.150 610 F HN 0.622 nan 8.300 nan 0.000 0.472 611 Y N 6.233 126.427 120.300 -0.177 0.000 2.396 611 Y HA 0.299 4.849 4.550 -0.000 0.000 0.332 611 Y C -0.178 175.635 175.900 -0.145 0.000 1.034 611 Y CA -1.660 56.362 58.100 -0.130 0.000 1.057 611 Y CB 0.806 39.085 38.460 -0.302 0.000 1.220 611 Y HN 0.666 nan 8.280 nan 0.000 0.440 612 N N 4.325 122.618 118.700 -0.679 0.000 2.699 612 N HA -0.198 4.541 4.740 -0.000 0.000 0.256 612 N C 0.988 176.271 175.510 -0.379 0.000 0.993 612 N CA 1.954 54.651 53.050 -0.589 0.000 0.759 612 N CB -1.044 36.919 38.487 -0.875 0.000 0.906 612 N HN 1.472 nan 8.380 nan 0.000 0.541 613 G N -1.699 106.882 108.800 -0.365 0.000 2.184 613 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.264 613 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.264 613 G C 0.059 174.600 174.900 -0.598 0.000 0.975 613 G CA 0.972 45.858 45.100 -0.357 0.000 0.642 613 G HN 0.570 nan 8.290 nan 0.000 0.536 614 K N -0.838 119.147 120.400 -0.691 0.000 2.328 614 K HA 0.675 4.995 4.320 -0.000 0.000 0.246 614 K C -1.220 175.088 176.600 -0.486 0.000 0.955 614 K CA -1.001 54.989 56.287 -0.495 0.000 0.817 614 K CB 1.930 34.235 32.500 -0.325 0.000 1.208 614 K HN 0.018 nan 8.250 nan 0.000 0.432 615 F N 1.781 121.462 119.950 -0.448 0.000 2.399 615 F HA 0.399 4.926 4.527 -0.000 0.000 0.334 615 F C -0.978 174.683 175.800 -0.232 0.000 1.097 615 F CA -0.150 57.760 58.000 -0.150 0.000 1.076 615 F CB 0.708 39.742 39.000 0.058 0.000 1.162 615 F HN 0.368 nan 8.300 nan 0.000 0.495 616 Y N 5.822 125.878 120.300 -0.406 0.000 2.462 616 Y HA 0.581 5.131 4.550 -0.000 0.000 0.346 616 Y C -0.633 175.286 175.900 0.032 0.000 0.976 616 Y CA -1.005 57.052 58.100 -0.073 0.000 1.044 616 Y CB 1.965 40.446 38.460 0.035 0.000 1.230 616 Y HN 0.463 nan 8.280 nan 0.000 0.455 617 I N 1.609 122.357 120.570 0.297 0.000 2.569 617 I HA 0.566 4.736 4.170 -0.000 0.000 0.296 617 I C -0.963 175.133 176.117 -0.035 0.000 1.028 617 I CA -0.363 61.071 61.300 0.223 0.000 1.082 617 I CB 1.588 39.730 38.000 0.237 0.000 1.264 617 I HN 0.586 nan 8.210 nan 0.000 0.429 618 S N 3.119 118.606 115.700 -0.355 0.000 2.482 618 S HA 0.498 4.968 4.470 -0.000 0.000 0.303 618 S C 0.286 174.739 174.600 -0.245 0.000 1.091 618 S CA -0.137 57.719 58.200 -0.573 0.000 1.057 618 S CB 1.186 63.623 63.200 -1.272 0.000 1.031 618 S HN 0.745 nan 8.310 nan 0.000 0.485 619 T N -0.080 114.387 114.554 -0.146 0.000 3.091 619 T HA 0.242 4.592 4.350 -0.000 0.000 0.277 619 T C -0.088 174.585 174.700 -0.044 0.000 0.996 619 T CA -0.141 61.926 62.100 -0.054 0.000 0.897 619 T CB -0.169 68.702 68.868 0.005 0.000 1.109 619 T HN 0.604 nan 8.240 nan 0.000 0.534 620 D N 0.527 120.879 120.400 -0.079 0.000 2.623 620 D HA 0.357 4.997 4.640 -0.000 0.000 0.252 620 D C 1.342 177.613 176.300 -0.048 0.000 1.294 620 D CA -0.265 53.702 54.000 -0.054 0.000 0.824 620 D CB -0.243 40.521 40.800 -0.059 0.000 1.070 620 D HN 0.413 nan 8.370 nan 0.000 0.487 621 G N -0.386 108.416 108.800 0.005 0.000 2.137 621 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.237 621 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.237 621 G C 1.122 175.940 174.900 -0.137 0.000 1.002 621 G CA 0.271 45.431 45.100 0.099 0.000 0.702 621 G HN 1.429 nan 8.290 nan 0.000 0.515 622 G N -1.460 107.153 108.800 -0.312 0.000 2.176 622 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.232 622 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.232 622 G C 1.266 176.033 174.900 -0.222 0.000 0.986 622 G CA 0.758 45.543 45.100 -0.525 0.000 0.643 622 G HN 1.181 nan 8.290 nan 0.000 0.522 623 L N 0.742 121.862 121.223 -0.172 0.000 2.027 623 L HA 0.172 4.512 4.340 -0.000 0.000 0.206 623 L C 1.836 178.688 176.870 -0.030 0.000 1.074 623 L CA 1.976 56.773 54.840 -0.072 0.000 0.745 623 L CB -0.304 41.719 42.059 -0.061 0.000 0.898 623 L HN 0.622 nan 8.230 nan 0.000 0.433 624 T N -3.171 111.320 114.554 -0.106 0.000 2.886 624 T HA 0.539 4.889 4.350 -0.000 0.000 0.292 624 T C -0.851 173.760 174.700 -0.149 0.000 1.012 624 T CA -0.573 61.509 62.100 -0.029 0.000 0.982 624 T CB 1.716 70.577 68.868 -0.012 0.000 1.018 624 T HN -0.153 nan 8.240 nan 0.000 0.451 625 F N 0.985 120.934 119.950 -0.002 0.000 2.522 625 F HA 0.664 5.191 4.527 -0.000 0.000 0.324 625 F C 0.625 176.521 175.800 0.160 0.000 1.077 625 F CA -0.627 57.409 58.000 0.059 0.000 0.944 625 F CB 2.781 41.772 39.000 -0.015 0.000 1.175 625 F HN 0.621 nan 8.300 nan 0.000 0.468 626 T N 1.196 115.963 114.554 0.355 0.000 2.848 626 T HA 0.142 4.492 4.350 -0.000 0.000 0.285 626 T C -1.181 173.623 174.700 0.174 0.000 0.995 626 T CA -0.736 61.522 62.100 0.263 0.000 0.970 626 T CB 1.419 70.379 68.868 0.153 0.000 0.976 626 T HN 0.410 nan 8.240 nan 0.000 0.441 627 D N 2.216 122.603 120.400 -0.022 0.000 2.434 627 D HA 0.008 4.648 4.640 -0.000 0.000 0.252 627 D C 1.554 177.738 176.300 -0.192 0.000 1.185 627 D CA 0.209 53.939 54.000 -0.450 0.000 0.886 627 D CB 1.097 41.666 40.800 -0.385 0.000 1.148 627 D HN 0.640 nan 8.370 nan 0.000 0.483 628 T N 0.955 115.372 114.554 -0.228 0.000 3.055 628 T HA -0.078 4.272 4.350 -0.000 0.000 0.265 628 T C 1.046 175.733 174.700 -0.021 0.000 1.111 628 T CA 0.283 62.236 62.100 -0.245 0.000 1.118 628 T CB -0.130 68.484 68.868 -0.423 0.000 0.909 628 T HN 0.598 nan 8.240 nan 0.000 0.501 629 K N 0.397 120.768 120.400 -0.048 0.000 3.129 629 K HA -0.095 4.225 4.320 -0.000 0.000 0.273 629 K C 0.268 176.897 176.600 0.048 0.000 1.123 629 K CA 0.437 56.724 56.287 0.001 0.000 0.800 629 K CB -2.252 30.274 32.500 0.044 0.000 1.238 629 K HN 0.777 nan 8.250 nan 0.000 0.492 630 A N 0.787 123.643 122.820 0.060 0.000 2.561 630 A HA 0.126 4.445 4.320 -0.000 0.000 0.251 630 A C -0.463 177.174 177.584 0.088 0.000 1.062 630 A CA -0.390 51.715 52.037 0.114 0.000 0.761 630 A CB 0.120 19.237 19.000 0.195 0.000 0.986 630 A HN 0.179 nan 8.150 nan 0.000 0.510 631 P HA -0.102 nan 4.420 nan 0.000 0.220 631 P C 0.084 177.443 177.300 0.098 0.000 1.148 631 P CA 1.214 64.364 63.100 0.082 0.000 0.803 631 P CB 0.272 32.020 31.700 0.080 0.000 0.782 632 Q N -0.386 119.505 119.800 0.150 0.000 2.292 632 Q HA 0.654 4.994 4.340 -0.000 0.000 0.270 632 Q C -0.939 175.158 176.000 0.161 0.000 1.024 632 Q CA -0.306 55.624 55.803 0.212 0.000 0.768 632 Q CB 2.385 31.316 28.738 0.321 0.000 1.250 632 Q HN 0.006 nan 8.270 nan 0.000 0.447 633 L N 2.725 123.888 121.223 -0.100 0.000 2.415 633 L HA 0.692 5.032 4.340 -0.000 0.000 0.256 633 L C -2.338 174.072 176.870 -0.766 0.000 1.010 633 L CA -2.142 52.354 54.840 -0.574 0.000 0.826 633 L CB 2.433 44.345 42.059 -0.245 0.000 1.405 633 L HN 0.499 nan 8.230 nan 0.000 0.410 634 P HA 0.193 nan 4.420 nan 0.000 0.274 634 P C -0.418 176.771 177.300 -0.185 0.000 1.246 634 P CA -0.508 62.222 63.100 -0.617 0.000 0.795 634 P CB 0.977 32.192 31.700 -0.809 0.000 1.006 635 K N -0.163 120.197 120.400 -0.067 0.000 2.097 635 K HA 0.021 4.341 4.320 -0.000 0.000 0.205 635 K C 1.134 177.794 176.600 0.099 0.000 1.050 635 K CA 1.235 57.536 56.287 0.022 0.000 0.938 635 K CB -0.520 31.986 32.500 0.009 0.000 0.718 635 K HN 0.731 nan 8.250 nan 0.000 0.442 636 S N -0.953 114.728 115.700 -0.030 0.000 2.596 636 S HA 0.584 5.054 4.470 -0.000 0.000 0.270 636 S C -0.553 173.800 174.600 -0.411 0.000 1.155 636 S CA -0.924 57.231 58.200 -0.076 0.000 0.827 636 S CB 2.021 65.214 63.200 -0.012 0.000 1.130 636 S HN -0.019 nan 8.310 nan 0.000 0.467 637 V N -0.434 119.172 119.914 -0.513 0.000 2.962 637 V HA 0.696 4.816 4.120 -0.000 0.000 0.313 637 V C 0.430 176.414 176.094 -0.184 0.000 1.099 637 V CA -0.738 61.285 62.300 -0.463 0.000 0.971 637 V CB 1.657 33.029 31.823 -0.752 0.000 1.028 637 V HN 0.960 nan 8.190 nan 0.000 0.430 638 N N 1.587 120.229 118.700 -0.095 0.000 2.305 638 N HA 0.138 4.878 4.740 -0.000 0.000 0.179 638 N C 0.212 175.726 175.510 0.006 0.000 1.019 638 N CA 1.119 54.158 53.050 -0.018 0.000 0.869 638 N CB 0.209 38.713 38.487 0.029 0.000 1.000 638 N HN 0.750 nan 8.380 nan 0.000 0.431 639 K N 0.119 120.528 120.400 0.016 0.000 2.502 639 K HA 0.349 4.669 4.320 -0.000 0.000 0.257 639 K C -0.898 175.768 176.600 0.109 0.000 0.938 639 K CA -0.666 55.665 56.287 0.073 0.000 0.819 639 K CB 2.444 34.997 32.500 0.088 0.000 1.333 639 K HN 0.227 nan 8.250 nan 0.000 0.434 640 I N -2.175 118.508 120.570 0.189 0.000 2.785 640 I HA 0.653 4.823 4.170 -0.000 0.000 0.302 640 I C -1.071 175.253 176.117 0.345 0.000 1.069 640 I CA -0.681 60.796 61.300 0.296 0.000 1.045 640 I CB 2.594 40.825 38.000 0.385 0.000 1.236 640 I HN 0.452 nan 8.210 nan 0.000 0.429 641 K N 4.071 124.738 120.400 0.445 0.000 2.550 641 K HA 0.756 5.076 4.320 -0.000 0.000 0.252 641 K C -1.517 175.439 176.600 0.594 0.000 0.943 641 K CA -0.559 56.019 56.287 0.486 0.000 0.806 641 K CB 2.280 35.057 32.500 0.461 0.000 1.289 641 K HN 0.959 nan 8.250 nan 0.000 0.435 642 A N 2.425 125.527 122.820 0.471 0.000 2.279 642 A HA 0.589 4.909 4.320 -0.000 0.000 0.303 642 A C -0.670 177.038 177.584 0.207 0.000 1.108 642 A CA -0.611 51.646 52.037 0.367 0.000 0.830 642 A CB 1.041 20.258 19.000 0.363 0.000 1.106 642 A HN 0.375 nan 8.150 nan 0.000 0.493 643 V N 2.722 122.643 119.914 0.011 0.000 2.407 643 V HA 0.295 4.415 4.120 -0.000 0.000 0.278 643 V C -2.281 173.707 176.094 -0.177 0.000 1.037 643 V CA -1.578 60.499 62.300 -0.372 0.000 0.900 643 V CB 1.081 32.602 31.823 -0.504 0.000 0.983 643 V HN 0.750 nan 8.190 nan 0.000 0.459 644 P HA 0.188 nan 4.420 nan 0.000 0.264 644 P C 0.990 178.216 177.300 -0.124 0.000 1.193 644 P CA 1.256 64.327 63.100 -0.048 0.000 0.763 644 P CB 0.580 32.303 31.700 0.039 0.000 0.810 645 G N 1.855 110.607 108.800 -0.080 0.000 2.184 645 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.264 645 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.264 645 G C 0.040 174.843 174.900 -0.162 0.000 0.975 645 G CA -0.053 44.985 45.100 -0.103 0.000 0.642 645 G HN 0.528 nan 8.290 nan 0.000 0.536 646 K N 0.873 121.155 120.400 -0.197 0.000 2.626 646 K HA 0.288 4.608 4.320 -0.000 0.000 0.223 646 K C -0.129 176.451 176.600 -0.032 0.000 0.992 646 K CA -0.562 55.551 56.287 -0.290 0.000 1.024 646 K CB 1.420 33.461 32.500 -0.764 0.000 1.225 646 K HN 0.561 nan 8.250 nan 0.000 0.498 647 E N 0.280 120.516 120.200 0.059 0.000 2.415 647 E HA 0.126 4.476 4.350 -0.000 0.000 0.263 647 E C 0.729 177.490 176.600 0.267 0.000 0.995 647 E CA 0.918 57.412 56.400 0.157 0.000 0.915 647 E CB 0.283 30.052 29.700 0.116 0.000 0.951 647 E HN 0.765 nan 8.360 nan 0.000 0.449 648 G N 3.908 112.888 108.800 0.300 0.000 2.148 648 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.254 648 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.254 648 G C -0.393 174.546 174.900 0.065 0.000 0.981 648 G CA 0.392 45.631 45.100 0.231 0.000 0.670 648 G HN 0.710 nan 8.290 nan 0.000 0.528 649 H N -0.290 118.785 119.070 0.008 0.000 2.690 649 H HA 0.564 5.120 4.556 -0.000 0.000 0.289 649 H C -0.004 175.345 175.328 0.035 0.000 1.089 649 H CA -0.101 55.953 56.048 0.010 0.000 1.299 649 H CB 1.265 31.113 29.762 0.144 0.000 1.405 649 H HN 0.244 nan 8.280 nan 0.000 0.463 650 V N 3.765 123.654 119.914 -0.042 0.000 2.588 650 V HA 0.302 4.422 4.120 -0.000 0.000 0.304 650 V C -0.812 175.416 176.094 0.224 0.000 1.042 650 V CA -1.087 61.286 62.300 0.122 0.000 0.877 650 V CB 1.311 33.087 31.823 -0.079 0.000 0.996 650 V HN 0.647 nan 8.190 nan 0.000 0.425 651 W N 3.871 125.402 121.300 0.384 0.000 2.627 651 W HA 0.802 5.462 4.660 -0.000 0.000 0.339 651 W C -0.576 176.147 176.519 0.340 0.000 1.058 651 W CA -0.691 56.907 57.345 0.423 0.000 1.223 651 W CB 1.421 31.187 29.460 0.509 0.000 1.389 651 W HN 0.337 nan 8.180 nan 0.000 0.541 652 L N 3.420 124.924 121.223 0.469 0.000 2.305 652 L HA 0.700 5.040 4.340 -0.000 0.000 0.284 652 L C 0.162 177.162 176.870 0.218 0.000 1.013 652 L CA -1.215 53.741 54.840 0.192 0.000 0.819 652 L CB 1.212 43.173 42.059 -0.163 0.000 1.227 652 L HN 0.538 nan 8.230 nan 0.000 0.417 653 A N 2.688 125.582 122.820 0.124 0.000 2.341 653 A HA 0.665 4.984 4.320 -0.000 0.000 0.326 653 A C 0.623 178.200 177.584 -0.011 0.000 1.402 653 A CA -0.265 51.826 52.037 0.090 0.000 0.957 653 A CB 0.720 19.776 19.000 0.093 0.000 1.151 653 A HN 0.849 nan 8.150 nan 0.000 0.533 654 A N 3.113 125.923 122.820 -0.016 0.000 2.545 654 A HA 0.487 4.807 4.320 -0.000 0.000 0.277 654 A C 1.216 178.768 177.584 -0.053 0.000 1.301 654 A CA 0.087 52.065 52.037 -0.098 0.000 0.935 654 A CB -0.299 18.618 19.000 -0.138 0.000 1.093 654 A HN 1.010 nan 8.150 nan 0.000 0.519 655 R N -0.586 119.879 120.500 -0.059 0.000 3.923 655 R HA -0.253 4.087 4.340 -0.000 0.000 0.400 655 R C 0.696 176.900 176.300 -0.160 0.000 0.241 655 R CA 1.809 57.826 56.100 -0.139 0.000 1.284 655 R CB -1.172 29.153 30.300 0.041 0.000 1.006 655 R HN 0.545 nan 8.270 nan 0.000 0.559 656 E N 0.922 121.067 120.200 -0.091 0.000 2.409 656 E HA -0.065 4.285 4.350 -0.000 0.000 0.198 656 E C 1.703 178.297 176.600 -0.010 0.000 1.024 656 E CA 0.814 57.178 56.400 -0.059 0.000 0.861 656 E CB -0.171 29.518 29.700 -0.018 0.000 0.788 656 E HN 0.633 nan 8.360 nan 0.000 0.521 657 G N 0.856 109.668 108.800 0.020 0.000 2.848 657 G HA2 0.184 4.144 3.960 -0.000 0.000 0.208 657 G HA3 0.184 4.144 3.960 -0.000 0.000 0.208 657 G C 0.761 175.813 174.900 0.253 0.000 1.152 657 G CA 0.326 45.494 45.100 0.112 0.000 0.789 657 G HN 0.444 nan 8.290 nan 0.000 0.531 658 G N -0.978 107.889 108.800 0.112 0.000 2.587 658 G HA2 0.091 4.051 3.960 -0.000 0.000 0.212 658 G HA3 0.091 4.051 3.960 -0.000 0.000 0.212 658 G C -0.934 174.061 174.900 0.159 0.000 1.327 658 G CA -0.200 44.941 45.100 0.067 0.000 0.898 658 G HN 0.999 nan 8.290 nan 0.000 0.551 659 L N -0.681 120.595 121.223 0.088 0.000 2.356 659 L HA 0.908 5.248 4.340 -0.000 0.000 0.277 659 L C -1.303 175.701 176.870 0.223 0.000 0.996 659 L CA -0.910 54.071 54.840 0.234 0.000 0.822 659 L CB 1.395 43.548 42.059 0.157 0.000 1.256 659 L HN 0.682 nan 8.230 nan 0.000 0.413 660 W N 4.786 126.169 121.300 0.139 0.000 2.736 660 W HA 0.743 5.403 4.660 -0.000 0.000 0.335 660 W C -0.530 176.026 176.519 0.063 0.000 1.059 660 W CA -0.647 56.752 57.345 0.088 0.000 1.226 660 W CB 1.480 30.936 29.460 -0.007 0.000 1.416 660 W HN 0.536 nan 8.180 nan 0.000 0.505 661 R N 0.859 121.373 120.500 0.022 0.000 2.621 661 R HA 0.858 5.198 4.340 -0.000 0.000 0.292 661 R C -0.895 175.116 176.300 -0.482 0.000 0.969 661 R CA -0.736 55.006 56.100 -0.597 0.000 0.887 661 R CB 2.140 31.538 30.300 -1.504 0.000 1.180 661 R HN 0.307 nan 8.270 nan 0.000 0.450 662 S N 0.320 115.543 115.700 -0.795 0.000 2.536 662 S HA 0.378 4.848 4.470 -0.000 0.000 0.298 662 S C 0.250 174.399 174.600 -0.752 0.000 1.083 662 S CA -0.311 57.293 58.200 -0.994 0.000 0.995 662 S CB 1.722 63.893 63.200 -1.715 0.000 1.058 662 S HN 0.771 nan 8.310 nan 0.000 0.488 663 T N -0.592 113.580 114.554 -0.636 0.000 3.043 663 T HA 0.241 4.591 4.350 -0.000 0.000 0.272 663 T C -0.048 174.445 174.700 -0.345 0.000 0.990 663 T CA 0.028 61.711 62.100 -0.696 0.000 0.897 663 T CB -0.167 68.331 68.868 -0.615 0.000 1.111 663 T HN 0.608 nan 8.240 nan 0.000 0.529 664 D N 0.542 120.785 120.400 -0.262 0.000 2.623 664 D HA 0.355 4.995 4.640 -0.000 0.000 0.252 664 D C 1.369 177.723 176.300 0.089 0.000 1.294 664 D CA -0.200 53.762 54.000 -0.063 0.000 0.824 664 D CB -0.233 40.541 40.800 -0.043 0.000 1.070 664 D HN 0.417 nan 8.370 nan 0.000 0.487 665 G N -0.319 108.489 108.800 0.013 0.000 2.136 665 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.242 665 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.242 665 G C 1.116 176.102 174.900 0.143 0.000 0.989 665 G CA 0.259 45.480 45.100 0.203 0.000 0.682 665 G HN 1.446 nan 8.290 nan 0.000 0.522 666 G N -2.101 106.548 108.800 -0.252 0.000 2.141 666 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.231 666 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.231 666 G C 0.746 175.513 174.900 -0.220 0.000 0.984 666 G CA 0.814 45.616 45.100 -0.496 0.000 0.660 666 G HN 0.945 nan 8.290 nan 0.000 0.525 667 Y N 1.345 121.599 120.300 -0.075 0.000 2.337 667 Y HA 0.236 4.786 4.550 -0.000 0.000 0.293 667 Y C 2.018 177.897 175.900 -0.034 0.000 1.123 667 Y CA 1.891 59.994 58.100 0.005 0.000 1.201 667 Y CB 0.507 38.972 38.460 0.008 0.000 1.011 667 Y HN 0.517 nan 8.280 nan 0.000 0.545 668 T N -2.711 111.817 114.554 -0.042 0.000 2.916 668 T HA 0.572 4.921 4.350 -0.000 0.000 0.298 668 T C -1.072 173.467 174.700 -0.268 0.000 1.031 668 T CA -0.704 61.367 62.100 -0.047 0.000 0.993 668 T CB 1.490 70.342 68.868 -0.027 0.000 1.045 668 T HN -0.139 nan 8.240 nan 0.000 0.454 669 F N 0.830 120.770 119.950 -0.016 0.000 2.546 669 F HA 0.606 5.133 4.527 -0.000 0.000 0.320 669 F C 0.341 176.192 175.800 0.085 0.000 1.076 669 F CA -0.833 57.182 58.000 0.025 0.000 0.928 669 F CB 2.259 41.338 39.000 0.133 0.000 1.189 669 F HN 0.758 nan 8.300 nan 0.000 0.465 670 E N 3.575 123.878 120.200 0.172 0.000 2.165 670 E HA 0.194 4.543 4.350 -0.000 0.000 0.266 670 E C -1.097 175.389 176.600 -0.190 0.000 0.889 670 E CA -0.819 55.565 56.400 -0.026 0.000 0.756 670 E CB 1.325 30.955 29.700 -0.116 0.000 1.131 670 E HN 0.578 nan 8.360 nan 0.000 0.411 671 K N 5.250 125.252 120.400 -0.663 0.000 2.349 671 K HA 0.112 4.432 4.320 -0.000 0.000 0.289 671 K C -0.605 175.670 176.600 -0.542 0.000 1.064 671 K CA -0.524 55.045 56.287 -1.197 0.000 0.947 671 K CB 0.339 31.744 32.500 -1.824 0.000 1.007 671 K HN 0.429 nan 8.250 nan 0.000 0.478 672 L N 4.261 125.279 121.223 -0.342 0.000 2.418 672 L HA -0.020 4.320 4.340 -0.000 0.000 0.274 672 L C 1.489 178.266 176.870 -0.154 0.000 1.135 672 L CA 0.517 55.285 54.840 -0.121 0.000 0.870 672 L CB 1.224 43.341 42.059 0.097 0.000 1.154 672 L HN 0.786 nan 8.230 nan 0.000 0.462 673 S N 0.981 116.615 115.700 -0.110 0.000 2.489 673 S HA -0.073 4.397 4.470 -0.000 0.000 0.228 673 S C 1.177 175.729 174.600 -0.080 0.000 0.995 673 S CA 0.537 58.671 58.200 -0.111 0.000 0.934 673 S CB -0.361 62.788 63.200 -0.086 0.000 0.771 673 S HN 0.785 nan 8.310 nan 0.000 0.522 674 N N 1.136 119.816 118.700 -0.033 0.000 2.322 674 N HA 0.113 4.853 4.740 -0.000 0.000 0.194 674 N C -0.349 175.051 175.510 -0.182 0.000 1.126 674 N CA -0.116 52.916 53.050 -0.030 0.000 0.845 674 N CB 0.006 38.560 38.487 0.112 0.000 0.976 674 N HN 0.336 nan 8.380 nan 0.000 0.475 675 V N 0.827 120.594 119.914 -0.246 0.000 2.448 675 V HA 0.166 4.286 4.120 -0.000 0.000 0.295 675 V C 0.596 176.520 176.094 -0.284 0.000 1.025 675 V CA -0.807 61.248 62.300 -0.408 0.000 0.859 675 V CB 1.902 33.422 31.823 -0.505 0.000 0.988 675 V HN 0.066 nan 8.190 nan 0.000 0.431 676 D N 2.956 123.183 120.400 -0.290 0.000 2.146 676 D HA -0.009 4.631 4.640 -0.000 0.000 0.209 676 D C 0.383 176.572 176.300 -0.186 0.000 0.973 676 D CA 1.130 55.012 54.000 -0.197 0.000 0.860 676 D CB 0.786 41.484 40.800 -0.169 0.000 1.015 676 D HN 0.560 nan 8.370 nan 0.000 0.465 677 T N -0.086 114.323 114.554 -0.242 0.000 2.881 677 T HA 0.684 5.034 4.350 -0.000 0.000 0.290 677 T C -0.976 173.536 174.700 -0.315 0.000 1.000 677 T CA -0.611 61.328 62.100 -0.268 0.000 0.978 677 T CB 1.990 70.689 68.868 -0.281 0.000 0.997 677 T HN 0.180 nan 8.240 nan 0.000 0.443 678 A N 2.288 124.937 122.820 -0.285 0.000 2.522 678 A HA 0.514 4.834 4.320 -0.000 0.000 0.285 678 A C 0.500 177.993 177.584 -0.152 0.000 1.198 678 A CA -0.577 51.344 52.037 -0.193 0.000 0.742 678 A CB 0.420 19.360 19.000 -0.101 0.000 1.176 678 A HN 0.957 nan 8.150 nan 0.000 0.444 679 H N 1.139 120.219 119.070 0.018 0.000 2.372 679 H HA 0.076 4.632 4.556 -0.000 0.000 0.301 679 H C 0.877 176.212 175.328 0.012 0.000 1.065 679 H CA 2.323 58.377 56.048 0.011 0.000 1.364 679 H CB 0.316 30.085 29.762 0.011 0.000 1.406 679 H HN 0.689 nan 8.280 nan 0.000 0.521 680 V N -2.302 117.695 119.914 0.139 0.000 3.114 680 V HA 0.635 4.755 4.120 -0.000 0.000 0.308 680 V C -0.588 175.539 176.094 0.056 0.000 1.168 680 V CA -1.045 61.305 62.300 0.083 0.000 1.015 680 V CB 2.619 34.477 31.823 0.058 0.000 1.050 680 V HN -0.100 nan 8.190 nan 0.000 0.433 681 V N 1.325 121.250 119.914 0.019 0.000 2.760 681 V HA 1.018 5.138 4.120 -0.000 0.000 0.309 681 V C 0.147 176.082 176.094 -0.264 0.000 1.077 681 V CA 0.750 62.998 62.300 -0.087 0.000 0.910 681 V CB 1.667 33.475 31.823 -0.026 0.000 1.008 681 V HN 1.717 nan 8.190 nan 0.000 0.424 682 G N 4.367 112.903 108.800 -0.440 0.000 2.694 682 G HA2 0.792 4.752 3.960 -0.000 0.000 0.290 682 G HA3 0.792 4.752 3.960 -0.000 0.000 0.290 682 G C -2.001 172.485 174.900 -0.690 0.000 1.386 682 G CA -0.617 44.200 45.100 -0.471 0.000 0.872 682 G HN 0.570 nan 8.290 nan 0.000 0.475 683 F N -0.592 119.489 119.950 0.219 0.000 2.565 683 F HA 0.800 5.327 4.527 -0.000 0.000 0.313 683 F C 0.632 176.582 175.800 0.251 0.000 1.091 683 F CA -0.625 57.508 58.000 0.221 0.000 0.915 683 F CB 2.635 41.699 39.000 0.108 0.000 1.208 683 F HN 0.787 nan 8.300 nan 0.000 0.453 684 G N 0.666 109.765 108.800 0.498 0.000 2.798 684 G HA2 0.451 4.411 3.960 -0.000 0.000 0.286 684 G HA3 0.451 4.411 3.960 -0.000 0.000 0.286 684 G C -1.528 173.557 174.900 0.309 0.000 1.389 684 G CA -1.198 44.113 45.100 0.353 0.000 0.894 684 G HN 0.593 nan 8.290 nan 0.000 0.488 685 K N 0.129 120.676 120.400 0.244 0.000 2.569 685 K HA 0.292 4.611 4.320 -0.000 0.000 0.280 685 K C 0.839 177.623 176.600 0.307 0.000 0.984 685 K CA 0.232 56.657 56.287 0.230 0.000 1.064 685 K CB 0.179 32.808 32.500 0.215 0.000 0.866 685 K HN 0.650 nan 8.250 nan 0.000 0.492 686 A N 3.273 126.206 122.820 0.187 0.000 2.520 686 A HA 0.304 4.623 4.320 -0.000 0.000 0.235 686 A C 0.106 177.737 177.584 0.079 0.000 1.065 686 A CA 0.324 52.447 52.037 0.144 0.000 0.764 686 A CB 0.184 19.218 19.000 0.057 0.000 1.002 686 A HN 0.881 nan 8.150 nan 0.000 0.502 687 A N 2.959 125.756 122.820 -0.037 0.000 2.425 687 A HA 0.537 4.856 4.320 -0.000 0.000 0.242 687 A C -2.235 175.161 177.584 -0.313 0.000 1.077 687 A CA -1.131 50.620 52.037 -0.478 0.000 0.781 687 A CB -0.697 18.119 19.000 -0.308 0.000 1.020 687 A HN 0.648 nan 8.150 nan 0.000 0.494 688 P HA 0.246 nan 4.420 nan 0.000 0.263 688 P C 0.981 178.208 177.300 -0.122 0.000 1.195 688 P CA 1.859 64.843 63.100 -0.194 0.000 0.762 688 P CB 0.507 32.098 31.700 -0.182 0.000 0.799 689 G N 1.646 110.401 108.800 -0.074 0.000 2.199 689 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.254 689 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.254 689 G C 0.108 174.991 174.900 -0.028 0.000 0.982 689 G CA -0.331 44.742 45.100 -0.045 0.000 0.632 689 G HN 0.533 nan 8.290 nan 0.000 0.529 690 Q N 0.769 120.551 119.800 -0.031 0.000 2.235 690 Q HA 0.349 4.689 4.340 -0.000 0.000 0.250 690 Q C 0.987 177.005 176.000 0.030 0.000 0.909 690 Q CA 0.177 55.983 55.803 0.005 0.000 0.910 690 Q CB 1.450 30.194 28.738 0.011 0.000 1.223 690 Q HN 0.590 nan 8.270 nan 0.000 0.432 691 D N 0.440 120.878 120.400 0.063 0.000 2.333 691 D HA -0.085 4.555 4.640 -0.000 0.000 0.208 691 D C 0.183 176.544 176.300 0.102 0.000 0.984 691 D CA 0.553 54.594 54.000 0.069 0.000 0.873 691 D CB 0.198 41.044 40.800 0.077 0.000 0.935 691 D HN 0.368 nan 8.370 nan 0.000 0.521 695 I N 1.608 122.058 120.570 -0.200 0.000 2.377 695 I HA 0.548 4.718 4.170 -0.000 0.000 0.293 695 I C -1.118 174.803 176.117 -0.327 0.000 0.987 695 I CA -0.580 60.622 61.300 -0.164 0.000 1.185 695 I CB 1.486 39.369 38.000 -0.194 0.000 1.341 695 I HN 0.638 nan 8.210 nan 0.000 0.455 696 Y N 6.322 126.637 120.300 0.025 0.000 2.409 696 Y HA 0.711 5.260 4.550 -0.000 0.000 0.343 696 Y C 0.038 175.990 175.900 0.087 0.000 0.973 696 Y CA -0.927 57.244 58.100 0.117 0.000 1.064 696 Y CB 1.861 40.352 38.460 0.052 0.000 1.207 696 Y HN 0.383 nan 8.280 nan 0.000 0.452 697 I N -0.741 120.018 120.570 0.316 0.000 2.969 697 I HA 0.850 5.020 4.170 -0.000 0.000 0.307 697 I C -0.751 175.534 176.117 0.280 0.000 1.149 697 I CA -1.021 60.398 61.300 0.197 0.000 1.008 697 I CB 2.696 40.725 38.000 0.049 0.000 1.232 697 I HN 0.552 nan 8.210 nan 0.000 0.435 698 T N 0.684 115.378 114.554 0.233 0.000 2.855 698 T HA 0.930 5.280 4.350 -0.000 0.000 0.281 698 T C 0.054 174.930 174.700 0.294 0.000 1.007 698 T CA 0.078 62.388 62.100 0.349 0.000 1.009 698 T CB 1.540 70.584 68.868 0.293 0.000 0.983 698 T HN 1.558 nan 8.240 nan 0.000 0.455 699 G N 1.542 110.554 108.800 0.352 0.000 2.530 699 G HA2 0.291 4.251 3.960 -0.000 0.000 0.081 699 G HA3 0.291 4.251 3.960 -0.000 0.000 0.081 699 G C -1.589 173.409 174.900 0.163 0.000 1.062 699 G CA -0.571 44.620 45.100 0.152 0.000 1.108 699 G HN 0.866 nan 8.290 nan 0.000 0.466 700 K N 0.318 120.662 120.400 -0.093 0.000 2.513 700 K HA 0.693 5.013 4.320 -0.000 0.000 0.251 700 K C -1.545 174.786 176.600 -0.449 0.000 0.939 700 K CA -0.685 55.517 56.287 -0.143 0.000 0.793 700 K CB 1.504 33.957 32.500 -0.078 0.000 1.241 700 K HN 0.460 nan 8.250 nan 0.000 0.431 701 I N 3.048 123.264 120.570 -0.590 0.000 2.533 701 I HA 0.186 4.356 4.170 -0.000 0.000 0.290 701 I C -0.721 175.255 176.117 -0.235 0.000 1.056 701 I CA -0.783 60.173 61.300 -0.573 0.000 1.057 701 I CB 2.028 39.442 38.000 -0.977 0.000 1.240 701 I HN 0.762 nan 8.210 nan 0.000 0.423 702 D N 4.470 124.777 120.400 -0.155 0.000 2.697 702 D HA -0.229 4.411 4.640 -0.000 0.000 0.235 702 D C 0.450 176.736 176.300 -0.024 0.000 1.167 702 D CA 0.969 54.931 54.000 -0.062 0.000 0.656 702 D CB -0.981 39.806 40.800 -0.022 0.000 1.025 702 D HN 0.845 nan 8.370 nan 0.000 0.419 703 N N -2.203 116.479 118.700 -0.031 0.000 2.732 703 N HA -0.220 4.519 4.740 -0.000 0.000 0.250 703 N C -0.680 174.852 175.510 0.036 0.000 1.097 703 N CA 1.296 54.347 53.050 0.002 0.000 0.812 703 N CB -0.306 38.185 38.487 0.006 0.000 1.148 703 N HN 0.328 nan 8.380 nan 0.000 0.572 704 V N 1.230 121.185 119.914 0.069 0.000 2.370 704 V HA 0.417 4.537 4.120 -0.000 0.000 0.283 704 V C 0.619 176.852 176.094 0.231 0.000 1.023 704 V CA -0.687 61.699 62.300 0.144 0.000 0.857 704 V CB 1.624 33.573 31.823 0.209 0.000 0.985 704 V HN 0.084 nan 8.190 nan 0.000 0.443 705 L N 4.686 125.999 121.223 0.149 0.000 2.350 705 L HA 0.902 5.242 4.340 -0.000 0.000 0.275 705 L C 0.922 177.820 176.870 0.047 0.000 1.099 705 L CA 0.544 55.474 54.840 0.151 0.000 0.808 705 L CB 1.324 43.434 42.059 0.084 0.000 1.149 705 L HN 0.937 nan 8.230 nan 0.000 0.442 706 G N 1.352 110.183 108.800 0.052 0.000 2.403 706 G HA2 0.150 4.110 3.960 -0.000 0.000 0.223 706 G HA3 0.150 4.110 3.960 -0.000 0.000 0.223 706 G C -1.789 172.965 174.900 -0.245 0.000 1.287 706 G CA -0.817 44.029 45.100 -0.422 0.000 0.982 706 G HN 0.172 nan 8.290 nan 0.000 0.471 707 F N 0.323 119.983 119.950 -0.483 0.000 2.480 707 F HA 0.896 5.422 4.527 -0.000 0.000 0.329 707 F C -0.374 175.102 175.800 -0.540 0.000 1.091 707 F CA -1.759 56.084 58.000 -0.262 0.000 0.972 707 F CB 1.518 40.471 39.000 -0.080 0.000 1.150 707 F HN 0.321 nan 8.300 nan 0.000 0.467 708 F N 1.102 121.227 119.950 0.291 0.000 2.578 708 F HA 0.621 5.148 4.527 -0.000 0.000 0.311 708 F C -0.170 175.844 175.800 0.356 0.000 1.094 708 F CA -0.962 57.196 58.000 0.263 0.000 0.923 708 F CB 2.347 41.445 39.000 0.164 0.000 1.230 708 F HN 0.364 nan 8.300 nan 0.000 0.450 709 R N 1.234 122.004 120.500 0.449 0.000 2.599 709 R HA 0.699 5.039 4.340 -0.000 0.000 0.295 709 R C -1.338 174.957 176.300 -0.008 0.000 0.963 709 R CA -0.445 55.707 56.100 0.086 0.000 0.883 709 R CB 2.015 32.260 30.300 -0.091 0.000 1.171 709 R HN 0.704 nan 8.270 nan 0.000 0.450 710 S N 1.761 117.188 115.700 -0.456 0.000 2.473 710 S HA 0.256 4.726 4.470 -0.000 0.000 0.307 710 S C -0.342 174.026 174.600 -0.386 0.000 1.094 710 S CA -0.725 57.033 58.200 -0.736 0.000 1.070 710 S CB 1.358 63.565 63.200 -1.656 0.000 1.019 710 S HN 0.710 nan 8.310 nan 0.000 0.480 711 D N 2.218 122.486 120.400 -0.220 0.000 2.379 711 D HA 0.083 4.723 4.640 -0.000 0.000 0.208 711 D C -0.320 175.947 176.300 -0.055 0.000 1.065 711 D CA 0.338 54.303 54.000 -0.059 0.000 0.848 711 D CB 0.387 41.200 40.800 0.022 0.000 0.949 711 D HN 0.730 nan 8.370 nan 0.000 0.509 712 D N -0.334 119.981 120.400 -0.142 0.000 2.957 712 D HA 0.376 5.016 4.640 -0.000 0.000 0.352 712 D C 0.723 176.928 176.300 -0.159 0.000 1.352 712 D CA -0.799 53.137 54.000 -0.106 0.000 0.831 712 D CB 0.354 41.094 40.800 -0.100 0.000 1.147 712 D HN -0.049 nan 8.370 nan 0.000 0.467 713 A N -0.140 122.566 122.820 -0.189 0.000 2.829 713 A HA 0.065 4.385 4.320 -0.000 0.000 0.267 713 A C 1.716 179.249 177.584 -0.085 0.000 1.370 713 A CA 1.343 53.184 52.037 -0.327 0.000 0.900 713 A CB -1.936 16.759 19.000 -0.509 0.000 1.044 713 A HN 1.735 nan 8.150 nan 0.000 0.691 714 G N -2.249 106.398 108.800 -0.255 0.000 2.159 714 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.227 714 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.227 714 G C 0.620 175.438 174.900 -0.136 0.000 0.986 714 G CA 1.140 46.102 45.100 -0.230 0.000 0.651 714 G HN 0.891 nan 8.290 nan 0.000 0.523 715 K N 0.030 120.325 120.400 -0.175 0.000 2.103 715 K HA 0.117 4.437 4.320 -0.000 0.000 0.204 715 K C 1.428 177.982 176.600 -0.077 0.000 1.052 715 K CA 1.616 57.856 56.287 -0.078 0.000 0.945 715 K CB -0.029 32.429 32.500 -0.070 0.000 0.722 715 K HN 0.669 nan 8.250 nan 0.000 0.443 716 T N -2.669 111.751 114.554 -0.223 0.000 2.906 716 T HA 0.530 4.879 4.350 -0.000 0.000 0.295 716 T C -1.447 173.036 174.700 -0.363 0.000 1.075 716 T CA -1.004 61.018 62.100 -0.130 0.000 1.005 716 T CB 1.312 70.151 68.868 -0.048 0.000 1.136 716 T HN 0.117 nan 8.240 nan 0.000 0.498 717 W N 0.736 122.063 121.300 0.044 0.000 2.915 717 W HA 0.638 5.298 4.660 -0.000 0.000 0.337 717 W C -0.795 175.803 176.519 0.131 0.000 1.102 717 W CA -0.929 56.463 57.345 0.079 0.000 1.224 717 W CB 2.182 31.671 29.460 0.047 0.000 1.416 717 W HN 0.752 nan 8.180 nan 0.000 0.503 718 V N 0.093 120.245 119.914 0.397 0.000 2.680 718 V HA 0.619 4.739 4.120 -0.000 0.000 0.309 718 V C -0.160 176.147 176.094 0.354 0.000 1.052 718 V CA -1.621 60.869 62.300 0.316 0.000 0.908 718 V CB 1.616 33.554 31.823 0.193 0.000 1.001 718 V HN 0.650 nan 8.190 nan 0.000 0.431 719 R N 2.668 123.308 120.500 0.233 0.000 2.347 719 R HA 0.443 4.782 4.340 -0.000 0.000 0.304 719 R C 0.750 176.967 176.300 -0.139 0.000 1.072 719 R CA 0.141 56.147 56.100 -0.157 0.000 0.980 719 R CB 0.890 31.065 30.300 -0.209 0.000 0.986 719 R HN 0.996 nan 8.270 nan 0.000 0.448 720 I N 0.648 121.075 120.570 -0.239 0.000 4.035 720 I HA 0.139 4.309 4.170 -0.000 0.000 0.321 720 I C 0.487 176.597 176.117 -0.011 0.000 1.289 720 I CA -0.605 60.511 61.300 -0.307 0.000 1.236 720 I CB -0.061 37.501 38.000 -0.729 0.000 1.076 720 I HN 0.426 nan 8.210 nan 0.000 0.418 721 N N 2.699 121.325 118.700 -0.124 0.000 2.514 721 N HA 0.312 5.052 4.740 -0.000 0.000 0.299 721 N C -0.886 174.519 175.510 -0.174 0.000 1.292 721 N CA 0.025 52.936 53.050 -0.233 0.000 0.963 721 N CB 0.623 38.513 38.487 -0.995 0.000 1.124 721 N HN 0.410 nan 8.380 nan 0.000 0.580 722 D N -3.457 116.830 120.400 -0.188 0.000 2.677 722 D HA 0.275 4.915 4.640 -0.000 0.000 0.298 722 D C -0.397 175.830 176.300 -0.122 0.000 1.250 722 D CA -0.576 53.376 54.000 -0.080 0.000 0.888 722 D CB 0.204 41.045 40.800 0.067 0.000 1.397 722 D HN 0.198 nan 8.370 nan 0.000 0.461 723 D N -0.503 119.851 120.400 -0.076 0.000 2.182 723 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 723 D C 0.977 177.204 176.300 -0.122 0.000 0.986 723 D CA 1.216 55.162 54.000 -0.089 0.000 0.847 723 D CB 0.046 40.812 40.800 -0.057 0.000 0.942 723 D HN 0.541 nan 8.370 nan 0.000 0.467 724 E N -1.025 119.094 120.200 -0.135 0.000 2.478 724 E HA -0.002 4.348 4.350 -0.000 0.000 0.194 724 E C -0.107 176.101 176.600 -0.652 0.000 1.045 724 E CA 0.283 56.500 56.400 -0.304 0.000 0.868 724 E CB 0.220 29.748 29.700 -0.286 0.000 0.885 724 E HN 0.385 nan 8.360 nan 0.000 0.505 725 H N -1.063 117.806 119.070 -0.335 0.000 2.423 725 H HA 0.282 4.838 4.556 -0.000 0.000 0.237 725 H C 0.713 175.607 175.328 -0.724 0.000 1.391 725 H CA -0.398 55.272 56.048 -0.630 0.000 1.453 725 H CB 1.213 30.655 29.762 -0.533 0.000 1.484 725 H HN 0.127 nan 8.280 nan 0.000 0.505 726 G N -0.187 108.294 108.800 -0.532 0.000 2.497 726 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.210 726 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.210 726 G C -0.127 174.782 174.900 0.015 0.000 1.177 726 G CA 0.041 44.979 45.100 -0.271 0.000 0.822 726 G HN 0.625 nan 8.290 nan 0.000 0.550 727 Y N -0.304 120.098 120.300 0.170 0.000 4.798 727 Y HA -0.188 4.362 4.550 -0.000 0.000 0.237 727 Y C 1.898 177.693 175.900 -0.175 0.000 1.017 727 Y CA 0.817 58.953 58.100 0.060 0.000 2.010 727 Y CB -1.652 36.843 38.460 0.058 0.000 1.582 727 Y HN 1.219 nan 8.280 nan 0.000 0.621 728 G N -0.467 108.400 108.800 0.112 0.000 2.509 728 G HA2 0.071 4.031 3.960 -0.000 0.000 0.256 728 G HA3 0.071 4.031 3.960 -0.000 0.000 0.256 728 G C 0.160 175.023 174.900 -0.063 0.000 1.152 728 G CA 0.154 45.298 45.100 0.073 0.000 0.951 728 G HN 1.519 nan 8.290 nan 0.000 0.559 729 A N 0.223 122.774 122.820 -0.448 0.000 2.396 729 A HA 0.635 4.955 4.320 -0.000 0.000 0.279 729 A C 0.849 178.245 177.584 -0.313 0.000 1.165 729 A CA 0.777 52.482 52.037 -0.553 0.000 0.824 729 A CB 0.305 18.636 19.000 -1.116 0.000 1.100 729 A HN 2.250 nan 8.150 nan 0.000 0.516 730 V N 0.852 120.656 119.914 -0.183 0.000 2.711 730 V HA 0.335 4.455 4.120 -0.000 0.000 0.335 730 V C -0.364 175.670 176.094 -0.099 0.000 1.235 730 V CA -0.067 62.166 62.300 -0.112 0.000 1.250 730 V CB 0.140 31.953 31.823 -0.017 0.000 1.469 730 V HN 0.758 nan 8.190 nan 0.000 0.646 731 D N -0.658 119.644 120.400 -0.163 0.000 2.593 731 D HA 0.102 4.742 4.640 -0.000 0.000 0.241 731 D C 1.111 177.363 176.300 -0.080 0.000 1.257 731 D CA 0.634 54.559 54.000 -0.126 0.000 0.828 731 D CB 0.528 41.149 40.800 -0.298 0.000 1.049 731 D HN 0.530 nan 8.370 nan 0.000 0.490 732 T N -3.418 111.090 114.554 -0.077 0.000 3.056 732 T HA 0.577 4.927 4.350 -0.000 0.000 0.243 732 T C 0.801 175.485 174.700 -0.026 0.000 0.995 732 T CA 0.437 62.504 62.100 -0.055 0.000 1.091 732 T CB 0.517 69.343 68.868 -0.071 0.000 0.990 732 T HN 0.305 nan 8.240 nan 0.000 0.464 733 A N 0.283 123.086 122.820 -0.029 0.000 2.555 733 A HA 0.747 5.066 4.320 -0.000 0.000 0.297 733 A C -1.745 175.830 177.584 -0.016 0.000 1.060 733 A CA -0.779 51.253 52.037 -0.007 0.000 0.710 733 A CB 1.157 20.156 19.000 -0.002 0.000 1.282 733 A HN 0.524 nan 8.150 nan 0.000 0.399 734 I N 1.104 121.676 120.570 0.002 0.000 2.686 734 I HA 0.807 4.977 4.170 -0.000 0.000 0.295 734 I C -0.746 175.385 176.117 0.025 0.000 1.114 734 I CA -0.078 61.221 61.300 -0.001 0.000 1.038 734 I CB 2.415 40.410 38.000 -0.008 0.000 1.238 734 I HN 0.757 nan 8.210 nan 0.000 0.420 735 T N 4.326 118.909 114.554 0.048 0.000 2.956 735 T HA 0.607 4.957 4.350 -0.000 0.000 0.312 735 T C -0.136 174.575 174.700 0.017 0.000 1.151 735 T CA -0.085 62.064 62.100 0.082 0.000 1.024 735 T CB 1.257 70.215 68.868 0.149 0.000 1.140 735 T HN 0.833 nan 8.240 nan 0.000 0.473 736 G N 1.577 110.358 108.800 -0.032 0.000 2.570 736 G HA2 0.392 4.352 3.960 -0.000 0.000 0.276 736 G HA3 0.392 4.352 3.960 -0.000 0.000 0.276 736 G C -0.748 174.192 174.900 0.066 0.000 1.346 736 G CA -0.180 44.807 45.100 -0.188 0.000 1.034 736 G HN 0.680 nan 8.290 nan 0.000 0.512 737 D N -0.616 119.803 120.400 0.030 0.000 2.408 737 D HA 0.308 4.948 4.640 -0.000 0.000 0.243 737 D C -1.468 174.902 176.300 0.115 0.000 1.075 737 D CA -1.951 52.125 54.000 0.127 0.000 0.832 737 D CB 2.354 43.200 40.800 0.076 0.000 1.162 737 D HN -0.021 nan 8.370 nan 0.000 0.515 738 P HA -0.060 nan 4.420 nan 0.000 0.225 738 P C 0.777 178.128 177.300 0.086 0.000 1.148 738 P CA 0.567 63.733 63.100 0.111 0.000 0.779 738 P CB 0.597 32.353 31.700 0.093 0.000 0.780 739 R N -0.811 119.731 120.500 0.070 0.000 2.365 739 R HA 0.262 4.601 4.340 -0.000 0.000 0.223 739 R C 0.157 176.491 176.300 0.058 0.000 0.899 739 R CA 0.069 56.202 56.100 0.055 0.000 1.059 739 R CB 0.571 30.892 30.300 0.035 0.000 1.086 739 R HN 0.110 nan 8.270 nan 0.000 0.522 740 V N 1.843 121.793 119.914 0.060 0.000 2.488 740 V HA 0.173 4.293 4.120 -0.000 0.000 0.293 740 V C -0.876 175.252 176.094 0.056 0.000 1.027 740 V CA -1.413 60.911 62.300 0.041 0.000 0.862 740 V CB 1.542 33.354 31.823 -0.018 0.000 1.008 740 V HN 0.108 nan 8.190 nan 0.000 0.428 741 Y N 4.090 124.403 120.300 0.022 0.000 2.610 741 Y HA 0.451 5.001 4.550 -0.000 0.000 0.332 741 Y C 1.319 177.245 175.900 0.043 0.000 1.201 741 Y CA 1.430 59.562 58.100 0.053 0.000 1.465 741 Y CB 0.908 39.394 38.460 0.043 0.000 1.283 741 Y HN 1.000 nan 8.280 nan 0.000 0.563 742 G N 4.551 112.765 108.800 -0.977 0.000 2.268 742 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.240 742 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.240 742 G C 0.561 175.286 174.900 -0.291 0.000 1.010 742 G CA 0.138 44.785 45.100 -0.755 0.000 0.618 742 G HN 0.832 nan 8.290 nan 0.000 0.516 743 R N 0.420 120.722 120.500 -0.331 0.000 2.442 743 R HA 0.538 4.877 4.340 -0.000 0.000 0.291 743 R C -0.619 175.323 176.300 -0.598 0.000 1.069 743 R CA 0.272 56.133 56.100 -0.398 0.000 1.022 743 R CB 0.920 31.005 30.300 -0.360 0.000 0.976 743 R HN 0.376 nan 8.270 nan 0.000 0.443 744 V N 5.866 125.405 119.914 -0.624 0.000 2.789 744 V HA 0.460 4.580 4.120 -0.000 0.000 0.311 744 V C -1.741 174.065 176.094 -0.481 0.000 1.073 744 V CA -0.692 61.205 62.300 -0.671 0.000 0.921 744 V CB 1.889 33.321 31.823 -0.652 0.000 1.009 744 V HN 0.735 nan 8.190 nan 0.000 0.426 745 Y N 5.914 126.133 120.300 -0.135 0.000 2.341 745 Y HA 0.709 5.259 4.550 -0.000 0.000 0.338 745 Y C 0.113 175.958 175.900 -0.092 0.000 0.965 745 Y CA -0.738 57.326 58.100 -0.060 0.000 1.108 745 Y CB 1.722 40.131 38.460 -0.085 0.000 1.180 745 Y HN 0.419 nan 8.280 nan 0.000 0.458 746 I N 2.786 123.383 120.570 0.045 0.000 2.498 746 I HA 0.614 4.784 4.170 -0.000 0.000 0.290 746 I C -0.372 175.687 176.117 -0.098 0.000 1.032 746 I CA -1.171 60.063 61.300 -0.109 0.000 1.073 746 I CB 1.916 39.701 38.000 -0.358 0.000 1.251 746 I HN 0.714 nan 8.210 nan 0.000 0.426 747 A N 4.302 127.068 122.820 -0.091 0.000 2.362 747 A HA 0.607 4.927 4.320 -0.000 0.000 0.276 747 A C 0.278 177.794 177.584 -0.114 0.000 1.153 747 A CA -0.177 51.810 52.037 -0.083 0.000 0.813 747 A CB 0.166 19.128 19.000 -0.063 0.000 1.081 747 A HN 0.763 nan 8.150 nan 0.000 0.507 748 T N -0.289 114.202 114.554 -0.105 0.000 2.949 748 T HA 0.455 4.804 4.350 -0.000 0.000 0.287 748 T C -0.105 174.531 174.700 -0.107 0.000 1.034 748 T CA -0.860 61.169 62.100 -0.119 0.000 1.018 748 T CB 1.248 70.057 68.868 -0.098 0.000 1.135 748 T HN 0.409 nan 8.240 nan 0.000 0.532 749 N N 0.042 118.651 118.700 -0.151 0.000 3.194 749 N HA 0.405 5.145 4.740 -0.000 0.000 0.271 749 N C 0.850 176.395 175.510 0.059 0.000 1.308 749 N CA 0.462 53.461 53.050 -0.086 0.000 1.042 749 N CB -0.277 38.069 38.487 -0.235 0.000 1.310 749 N HN 1.164 nan 8.380 nan 0.000 0.502 750 G N 1.542 110.372 108.800 0.051 0.000 2.227 750 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.168 750 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.168 750 G C 0.604 175.558 174.900 0.091 0.000 1.006 750 G CA -0.472 44.686 45.100 0.097 0.000 0.684 750 G HN 0.382 nan 8.290 nan 0.000 0.489 751 R N 0.792 121.319 120.500 0.045 0.000 2.652 751 R HA 0.470 4.810 4.340 -0.000 0.000 0.372 751 R C 1.399 177.732 176.300 0.055 0.000 1.104 751 R CA 0.741 56.896 56.100 0.092 0.000 1.072 751 R CB 0.109 30.475 30.300 0.111 0.000 1.367 751 R HN 1.394 nan 8.270 nan 0.000 0.577 752 G N 1.466 110.291 108.800 0.042 0.000 2.564 752 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.273 752 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.273 752 G C -0.085 174.802 174.900 -0.021 0.000 1.242 752 G CA -0.317 44.797 45.100 0.024 0.000 0.951 752 G HN 0.245 nan 8.290 nan 0.000 0.564 753 I N 1.195 121.752 120.570 -0.021 0.000 2.331 753 I HA 0.493 4.663 4.170 -0.000 0.000 0.292 753 I C 0.844 176.956 176.117 -0.009 0.000 0.998 753 I CA -0.808 60.471 61.300 -0.035 0.000 1.267 753 I CB 1.415 39.366 38.000 -0.082 0.000 1.386 753 I HN 0.677 nan 8.210 nan 0.000 0.476 754 V N 5.057 124.945 119.914 -0.043 0.000 2.630 754 V HA 0.655 4.775 4.120 -0.000 0.000 0.305 754 V C -0.949 175.279 176.094 0.223 0.000 1.046 754 V CA -0.602 61.685 62.300 -0.022 0.000 0.934 754 V CB 1.399 32.958 31.823 -0.439 0.000 1.003 754 V HN 0.695 nan 8.190 nan 0.000 0.451 755 Y N 1.699 122.057 120.300 0.096 0.000 2.512 755 Y HA 0.981 5.531 4.550 -0.000 0.000 0.348 755 Y C -0.098 175.669 175.900 -0.222 0.000 0.990 755 Y CA -0.623 57.449 58.100 -0.048 0.000 1.033 755 Y CB 1.988 40.333 38.460 -0.192 0.000 1.259 755 Y HN 1.027 nan 8.280 nan 0.000 0.461 756 G N 1.857 110.213 108.800 -0.741 0.000 2.519 756 G HA2 0.645 4.605 3.960 -0.000 0.000 0.307 756 G HA3 0.645 4.605 3.960 -0.000 0.000 0.307 756 G C -1.822 172.648 174.900 -0.716 0.000 1.266 756 G CA -1.015 43.241 45.100 -1.407 0.000 0.970 756 G HN 0.727 nan 8.290 nan 0.000 0.481 757 E N 0.741 120.447 120.200 -0.823 0.000 2.356 757 E HA 0.318 4.668 4.350 -0.000 0.000 0.275 757 E C -2.728 173.093 176.600 -1.299 0.000 0.904 757 E CA -1.850 54.047 56.400 -0.839 0.000 0.757 757 E CB 3.348 32.767 29.700 -0.468 0.000 1.232 757 E HN 0.199 nan 8.360 nan 0.000 0.442 758 P HA -0.036 nan 4.420 nan 0.000 0.264 758 P C -1.220 175.792 177.300 -0.480 0.000 1.183 758 P CA 0.276 62.808 63.100 -0.946 0.000 0.763 758 P CB 0.472 31.891 31.700 -0.468 0.000 0.807 759 A N 3.405 126.039 122.820 -0.311 0.000 2.328 759 A HA 0.479 4.799 4.320 -0.000 0.000 0.284 759 A C 0.496 178.020 177.584 -0.099 0.000 1.160 759 A CA -0.043 51.890 52.037 -0.174 0.000 0.818 759 A CB 0.087 19.025 19.000 -0.102 0.000 1.087 759 A HN 0.486 nan 8.150 nan 0.000 0.504 760 S N 0.000 115.651 115.700 -0.081 0.000 2.498 760 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 760 S CA 0.000 58.172 58.200 -0.047 0.000 1.107 760 S CB 0.000 63.174 63.200 -0.044 0.000 0.593 760 S HN 0.000 nan 8.310 nan 0.000 0.517