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 2j04_1_C DATA FIRST_RESID 3 DATA SEQUENCE LLKDLLVDRK EFEDWKNNLT WARDGTLYLT TFPDISIGQP KYAKDINCNS DATA SEQUENCE KNLFHVKEFP LEFENKLDFE LAQQNGLLNS QPVCYPRVCK PSPIDDWMAV DATA SEQUENCE LSNNGNVSVF KDNKMLTNLD SKGNLSSRTY HCFEWNPIES SIVVGNEDGE DATA SEQUENCE LQFFSIRKNS ENTPEFYFES SIRLSDAGSK DWVTHIVWYE DVLVAALSNN DATA SEQUENCE SVFSMTVSAS SHQPVSRMIQ NASRRKITDL KIVDYKVVLT CPGYVHKIDL DATA SEQUENCE KNYSISSLKT GSLENFHIIP LNHEKESTIL LMSNKTSYKV LLEDELHVTA DATA SEQUENCE DNIIAPYLEK KFKKWSTIWN EFNNYETTLV IHGISLSPDG YSIAIVYDME DATA SEQUENCE RVAFKYKIAS EQSFNIMFAP LYHTWTISER AVGLAWYQTY QIYNQSLPKL DATA SEQUENCE PENFSMNKKL LNGNYPISLD FQSYLNALMK SEEMRIIMFL NMTIDKPSIL DATA SEQUENCE SFLEALYEYA INKKSELTNS FDLACVLSIA AILKREAPIY NGTLLMKNSF DATA SEQUENCE LEETFNLESF TADPETVTST TNNTWKRCGV TLLPILTTHV KICPVSKQRV DATA SEQUENCE IDIKRDDLND YGWFTRGLLE RFNEISVYCG TTLEVM 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.818 176.870 -0.086 0.000 1.165 3 L CA 0.000 54.715 54.840 -0.209 0.000 0.813 3 L CB 0.000 41.836 42.059 -0.372 0.000 0.961 4 L N 3.277 124.480 121.223 -0.033 0.000 2.514 4 L HA 0.141 4.481 4.340 -0.000 0.000 0.280 4 L C 0.778 177.694 176.870 0.077 0.000 1.223 4 L CA 0.123 54.981 54.840 0.030 0.000 0.864 4 L CB 0.361 42.464 42.059 0.073 0.000 1.118 4 L HN 0.650 nan 8.230 nan 0.000 0.494 5 K N 2.888 123.332 120.400 0.073 0.000 2.368 5 K HA 0.024 4.344 4.320 -0.000 0.000 0.282 5 K C -0.483 176.209 176.600 0.153 0.000 1.035 5 K CA -0.676 55.666 56.287 0.092 0.000 0.973 5 K CB 0.515 33.055 32.500 0.067 0.000 0.957 5 K HN 0.444 nan 8.250 nan 0.000 0.474 6 D N 2.892 123.384 120.400 0.154 0.000 2.472 6 D HA -0.058 4.582 4.640 -0.000 0.000 0.237 6 D C -0.064 176.328 176.300 0.153 0.000 1.141 6 D CA 0.050 54.153 54.000 0.171 0.000 0.875 6 D CB 0.607 41.498 40.800 0.152 0.000 1.192 6 D HN 0.277 nan 8.370 nan 0.000 0.450 7 L N 3.836 125.166 121.223 0.178 0.000 2.281 7 L HA 0.163 4.503 4.340 -0.000 0.000 0.285 7 L C -0.701 176.202 176.870 0.054 0.000 1.074 7 L CA -0.360 54.575 54.840 0.157 0.000 0.817 7 L CB 0.570 42.788 42.059 0.266 0.000 1.168 7 L HN 0.203 nan 8.230 nan 0.000 0.434 8 L N 6.667 127.917 121.223 0.045 0.000 2.361 8 L HA 0.234 4.574 4.340 -0.000 0.000 0.278 8 L C -0.451 176.420 176.870 0.002 0.000 1.113 8 L CA 0.027 54.871 54.840 0.006 0.000 0.849 8 L CB 1.317 43.380 42.059 0.007 0.000 1.155 8 L HN 0.420 nan 8.230 nan 0.000 0.452 9 V N 4.311 124.219 119.914 -0.010 0.000 2.313 9 V HA 0.256 4.376 4.120 -0.000 0.000 0.278 9 V C -0.172 175.885 176.094 -0.062 0.000 1.017 9 V CA -0.742 61.557 62.300 -0.002 0.000 0.823 9 V CB 1.790 33.654 31.823 0.069 0.000 1.010 9 V HN 0.611 nan 8.190 nan 0.000 0.443 10 D N 4.212 124.568 120.400 -0.074 0.000 2.185 10 D HA 0.461 5.101 4.640 -0.000 0.000 0.247 10 D C 0.877 177.100 176.300 -0.129 0.000 1.027 10 D CA -0.534 53.396 54.000 -0.117 0.000 0.861 10 D CB 0.990 41.746 40.800 -0.074 0.000 1.202 10 D HN 0.647 nan 8.370 nan 0.000 0.453 11 R N 0.481 120.874 120.500 -0.179 0.000 3.627 11 R HA -0.183 4.157 4.340 -0.000 0.000 0.281 11 R C -0.607 175.607 176.300 -0.144 0.000 1.140 11 R CA 1.003 57.008 56.100 -0.158 0.000 0.761 11 R CB -1.820 28.415 30.300 -0.108 0.000 1.181 11 R HN 0.194 nan 8.270 nan 0.000 0.472 12 K N 1.590 121.893 120.400 -0.161 0.000 2.185 12 K HA 0.405 4.725 4.320 -0.000 0.000 0.240 12 K C 0.340 176.882 176.600 -0.097 0.000 0.983 12 K CA -0.467 55.741 56.287 -0.133 0.000 0.873 12 K CB 1.592 34.005 32.500 -0.145 0.000 1.118 12 K HN 0.466 nan 8.250 nan 0.000 0.441 13 E N 0.450 120.554 120.200 -0.161 0.000 2.393 13 E HA 0.487 4.837 4.350 -0.000 0.000 0.273 13 E C -1.215 175.167 176.600 -0.364 0.000 0.918 13 E CA -0.751 55.576 56.400 -0.123 0.000 0.773 13 E CB 1.171 30.828 29.700 -0.072 0.000 1.275 13 E HN 0.234 nan 8.360 nan 0.000 0.451 14 F N 0.447 120.319 119.950 -0.131 0.000 2.483 14 F HA 0.278 4.805 4.527 -0.000 0.000 0.329 14 F C 1.670 177.400 175.800 -0.116 0.000 1.064 14 F CA -0.766 57.133 58.000 -0.169 0.000 0.986 14 F CB 1.744 40.523 39.000 -0.368 0.000 1.218 14 F HN 0.653 nan 8.300 nan 0.000 0.484 15 E N -0.050 120.285 120.200 0.225 0.000 2.285 15 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 15 E C -0.754 175.869 176.600 0.039 0.000 0.997 15 E CA 0.747 57.286 56.400 0.233 0.000 0.845 15 E CB 0.194 30.120 29.700 0.376 0.000 0.782 15 E HN 0.742 nan 8.360 nan 0.000 0.491 16 D N -2.304 118.032 120.400 -0.107 0.000 2.725 16 D HA -0.002 4.638 4.640 -0.000 0.000 0.292 16 D C -0.946 175.220 176.300 -0.224 0.000 1.288 16 D CA -0.679 53.246 54.000 -0.125 0.000 0.784 16 D CB -0.701 40.218 40.800 0.198 0.000 1.308 16 D HN 0.024 nan 8.370 nan 0.000 0.429 17 W N 1.068 122.400 121.300 0.053 0.000 2.269 17 W HA 0.217 4.877 4.660 -0.000 0.000 0.402 17 W C 0.991 177.498 176.519 -0.021 0.000 0.654 17 W CA -0.573 56.745 57.345 -0.046 0.000 2.299 17 W CB 0.542 29.942 29.460 -0.099 0.000 1.621 17 W HN 0.369 nan 8.180 nan 0.000 0.677 18 K N 1.396 121.862 120.400 0.110 0.000 2.374 18 K HA -0.028 4.292 4.320 -0.000 0.000 0.202 18 K C -0.192 176.473 176.600 0.107 0.000 1.040 18 K CA 0.193 56.557 56.287 0.128 0.000 1.085 18 K CB 0.112 32.687 32.500 0.125 0.000 0.873 18 K HN 0.259 nan 8.250 nan 0.000 0.539 19 N N 1.029 119.749 118.700 0.034 0.000 2.468 19 N HA -0.093 4.647 4.740 -0.000 0.000 0.274 19 N C -0.906 174.603 175.510 -0.002 0.000 1.380 19 N CA 0.305 53.353 53.050 -0.004 0.000 0.782 19 N CB -0.500 38.036 38.487 0.082 0.000 0.898 19 N HN 0.269 nan 8.380 nan 0.000 0.496 20 N N 1.340 120.005 118.700 -0.058 0.000 2.170 20 N HA 0.159 4.899 4.740 -0.000 0.000 0.222 20 N C -0.909 174.648 175.510 0.078 0.000 1.218 20 N CA -0.172 52.903 53.050 0.042 0.000 0.889 20 N CB 0.598 39.131 38.487 0.077 0.000 1.083 20 N HN 0.353 nan 8.380 nan 0.000 0.520 21 L N 1.718 122.952 121.223 0.019 0.000 2.307 21 L HA 0.544 4.884 4.340 -0.000 0.000 0.284 21 L C -0.315 176.613 176.870 0.097 0.000 1.023 21 L CA -0.053 54.809 54.840 0.037 0.000 0.810 21 L CB 1.409 43.435 42.059 -0.054 0.000 1.231 21 L HN 0.033 nan 8.230 nan 0.000 0.423 22 T N 1.214 115.869 114.554 0.167 0.000 2.896 22 T HA 0.487 4.837 4.350 -0.000 0.000 0.297 22 T C -1.553 173.360 174.700 0.355 0.000 1.108 22 T CA -0.552 61.699 62.100 0.252 0.000 1.004 22 T CB 1.671 70.692 68.868 0.256 0.000 1.159 22 T HN 0.543 nan 8.240 nan 0.000 0.499 23 W N 1.980 123.391 121.300 0.186 0.000 2.543 23 W HA 0.716 5.376 4.660 -0.000 0.000 0.318 23 W C -0.491 176.142 176.519 0.191 0.000 1.002 23 W CA -1.598 55.865 57.345 0.197 0.000 1.302 23 W CB 0.793 30.358 29.460 0.175 0.000 1.299 23 W HN 1.083 nan 8.180 nan 0.000 0.424 24 A N 4.757 127.917 122.820 0.566 0.000 2.304 24 A HA 0.430 4.750 4.320 -0.000 0.000 0.271 24 A C 1.400 179.089 177.584 0.175 0.000 1.091 24 A CA -0.273 51.960 52.037 0.327 0.000 0.812 24 A CB 0.760 20.000 19.000 0.400 0.000 1.056 24 A HN 0.752 nan 8.150 nan 0.000 0.489 25 R N 0.124 120.658 120.500 0.057 0.000 2.140 25 R HA -0.215 4.125 4.340 -0.000 0.000 0.250 25 R C 0.801 177.050 176.300 -0.085 0.000 1.150 25 R CA 2.109 58.183 56.100 -0.044 0.000 0.966 25 R CB -0.218 30.042 30.300 -0.067 0.000 0.869 25 R HN 0.914 nan 8.270 nan 0.000 0.445 26 D N -1.913 118.485 120.400 -0.003 0.000 2.339 26 D HA 0.064 4.704 4.640 -0.000 0.000 0.217 26 D C 1.008 177.339 176.300 0.052 0.000 1.050 26 D CA 0.811 54.793 54.000 -0.030 0.000 0.856 26 D CB 0.593 41.400 40.800 0.012 0.000 0.922 26 D HN 0.347 nan 8.370 nan 0.000 0.518 27 G N -0.497 108.403 108.800 0.167 0.000 2.184 27 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.206 27 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.206 27 G C 0.216 175.453 174.900 0.562 0.000 0.995 27 G CA 0.048 45.366 45.100 0.364 0.000 0.651 27 G HN 0.401 nan 8.290 nan 0.000 0.511 28 T N 1.912 116.695 114.554 0.382 0.000 2.856 28 T HA 0.597 4.947 4.350 -0.000 0.000 0.292 28 T C 0.646 175.410 174.700 0.107 0.000 0.980 28 T CA -0.119 62.085 62.100 0.174 0.000 1.091 28 T CB 1.664 70.506 68.868 -0.042 0.000 0.936 28 T HN 0.306 nan 8.240 nan 0.000 0.503 29 L N 3.256 124.381 121.223 -0.164 0.000 2.312 29 L HA 0.452 4.792 4.340 -0.000 0.000 0.281 29 L C -0.895 175.726 176.870 -0.414 0.000 1.070 29 L CA -0.763 53.899 54.840 -0.297 0.000 0.805 29 L CB 0.520 42.276 42.059 -0.505 0.000 1.174 29 L HN 0.663 nan 8.230 nan 0.000 0.434 30 Y N 3.575 123.848 120.300 -0.045 0.000 2.338 30 Y HA 0.518 5.068 4.550 -0.000 0.000 0.333 30 Y C -0.458 175.457 175.900 0.024 0.000 0.968 30 Y CA -0.566 57.529 58.100 -0.008 0.000 1.123 30 Y CB 1.638 40.133 38.460 0.059 0.000 1.165 30 Y HN 0.330 nan 8.280 nan 0.000 0.452 31 L N 3.323 124.637 121.223 0.152 0.000 2.313 31 L HA 0.501 4.841 4.340 -0.000 0.000 0.283 31 L C 0.021 177.014 176.870 0.205 0.000 1.013 31 L CA -0.922 54.025 54.840 0.179 0.000 0.816 31 L CB 1.842 43.980 42.059 0.132 0.000 1.236 31 L HN 0.616 nan 8.230 nan 0.000 0.419 32 T N -1.373 113.329 114.554 0.246 0.000 3.414 32 T HA 0.256 4.606 4.350 -0.000 0.000 0.304 32 T C 0.487 175.302 174.700 0.192 0.000 1.241 32 T CA -0.759 61.465 62.100 0.206 0.000 1.076 32 T CB -0.661 68.317 68.868 0.184 0.000 1.134 32 T HN 0.650 nan 8.240 nan 0.000 0.759 33 T N 0.427 115.008 114.554 0.046 0.000 2.824 33 T HA 0.605 4.955 4.350 -0.000 0.000 0.277 33 T C -0.558 174.166 174.700 0.039 0.000 0.975 33 T CA -1.007 61.011 62.100 -0.136 0.000 0.966 33 T CB 1.004 69.662 68.868 -0.349 0.000 1.054 33 T HN 0.529 nan 8.240 nan 0.000 0.533 34 F N 2.004 121.870 119.950 -0.140 0.000 2.482 34 F HA 0.438 4.965 4.527 -0.000 0.000 0.331 34 F C -1.739 173.983 175.800 -0.129 0.000 1.115 34 F CA -2.981 54.949 58.000 -0.117 0.000 0.955 34 F CB 2.494 41.396 39.000 -0.163 0.000 1.136 34 F HN 0.438 nan 8.300 nan 0.000 0.452 35 P HA 0.131 nan 4.420 nan 0.000 0.261 35 P C -0.866 176.513 177.300 0.132 0.000 1.268 35 P CA 0.430 63.742 63.100 0.353 0.000 0.833 35 P CB 0.539 32.439 31.700 0.334 0.000 1.231 36 D N 0.038 120.510 120.400 0.120 0.000 2.269 36 D HA 0.301 4.941 4.640 -0.000 0.000 0.244 36 D C 0.445 176.818 176.300 0.120 0.000 0.992 36 D CA -0.742 53.329 54.000 0.118 0.000 0.894 36 D CB 2.196 43.048 40.800 0.086 0.000 1.248 36 D HN -0.076 nan 8.370 nan 0.000 0.468 37 I N 1.146 121.825 120.570 0.182 0.000 2.752 37 I HA -0.071 4.099 4.170 -0.000 0.000 0.287 37 I C 0.589 176.821 176.117 0.192 0.000 1.188 37 I CA 0.778 62.217 61.300 0.231 0.000 1.427 37 I CB 0.496 38.732 38.000 0.393 0.000 1.365 37 I HN 0.026 nan 8.210 nan 0.000 0.585 38 S N 6.703 122.466 115.700 0.104 0.000 2.475 38 S HA 0.587 5.057 4.470 -0.000 0.000 0.298 38 S C -0.369 174.189 174.600 -0.070 0.000 1.119 38 S CA -0.534 57.676 58.200 0.018 0.000 1.085 38 S CB 1.701 64.874 63.200 -0.044 0.000 1.028 38 S HN 0.392 nan 8.310 nan 0.000 0.489 39 I N 1.722 122.184 120.570 -0.179 0.000 2.603 39 I HA 0.637 4.807 4.170 -0.000 0.000 0.300 39 I C 0.097 176.019 176.117 -0.326 0.000 1.017 39 I CA -0.631 60.425 61.300 -0.406 0.000 1.098 39 I CB 1.634 39.268 38.000 -0.610 0.000 1.279 39 I HN 0.754 nan 8.210 nan 0.000 0.437 40 G N 5.957 114.559 108.800 -0.329 0.000 2.603 40 G HA2 0.381 4.341 3.960 -0.000 0.000 0.324 40 G HA3 0.381 4.341 3.960 -0.000 0.000 0.324 40 G C -0.874 173.999 174.900 -0.045 0.000 1.178 40 G CA -0.391 44.615 45.100 -0.158 0.000 1.023 40 G HN 0.613 nan 8.290 nan 0.000 0.482 41 Q N 2.619 122.374 119.800 -0.075 0.000 2.313 41 Q HA 0.166 4.506 4.340 -0.000 0.000 0.266 41 Q C -2.339 173.714 176.000 0.087 0.000 0.989 41 Q CA -1.441 54.354 55.803 -0.013 0.000 0.890 41 Q CB 1.266 30.007 28.738 0.005 0.000 1.200 41 Q HN 0.303 nan 8.270 nan 0.000 0.396 42 P HA 0.106 nan 4.420 nan 0.000 0.276 42 P C -0.844 176.464 177.300 0.013 0.000 1.243 42 P CA -0.034 63.065 63.100 -0.001 0.000 0.768 42 P CB 0.697 32.430 31.700 0.056 0.000 0.856 43 K N 2.690 123.074 120.400 -0.027 0.000 2.371 43 K HA 0.367 4.687 4.320 -0.000 0.000 0.251 43 K C -1.177 175.471 176.600 0.079 0.000 0.934 43 K CA -0.908 55.402 56.287 0.039 0.000 0.798 43 K CB 1.894 34.418 32.500 0.040 0.000 1.204 43 K HN 0.410 nan 8.250 nan 0.000 0.427 44 Y N 0.856 121.147 120.300 -0.015 0.000 2.328 44 Y HA 0.555 5.105 4.550 -0.000 0.000 0.337 44 Y C -1.021 174.878 175.900 -0.002 0.000 1.008 44 Y CA -0.660 57.420 58.100 -0.033 0.000 1.129 44 Y CB 1.282 39.651 38.460 -0.151 0.000 1.185 44 Y HN 0.607 nan 8.280 nan 0.000 0.476 45 A N 6.327 128.720 122.820 -0.710 0.000 2.359 45 A HA 0.384 4.704 4.320 -0.000 0.000 0.303 45 A C 0.565 177.662 177.584 -0.812 0.000 1.066 45 A CA -0.841 50.801 52.037 -0.657 0.000 0.730 45 A CB 1.402 20.255 19.000 -0.245 0.000 1.211 45 A HN 0.943 nan 8.150 nan 0.000 0.439 46 K N 1.156 121.131 120.400 -0.709 0.000 2.089 46 K HA -0.174 4.146 4.320 -0.000 0.000 0.210 46 K C 0.020 176.591 176.600 -0.048 0.000 1.048 46 K CA 2.317 58.462 56.287 -0.237 0.000 0.926 46 K CB 0.118 32.620 32.500 0.002 0.000 0.714 46 K HN 0.708 nan 8.250 nan 0.000 0.448 47 D N -1.008 119.344 120.400 -0.080 0.000 2.738 47 D HA 0.362 5.002 4.640 -0.000 0.000 0.237 47 D C -1.359 174.906 176.300 -0.058 0.000 1.123 47 D CA -0.634 53.345 54.000 -0.036 0.000 0.856 47 D CB 1.278 42.069 40.800 -0.015 0.000 1.552 47 D HN 0.073 nan 8.370 nan 0.000 0.480 48 I N 2.012 122.550 120.570 -0.053 0.000 2.468 48 I HA 0.256 4.426 4.170 -0.000 0.000 0.285 48 I C -0.187 175.905 176.117 -0.042 0.000 1.039 48 I CA -0.998 60.271 61.300 -0.052 0.000 1.074 48 I CB 1.566 39.526 38.000 -0.067 0.000 1.228 48 I HN 0.135 nan 8.210 nan 0.000 0.436 49 N N 5.148 123.832 118.700 -0.027 0.000 3.059 49 N HA 0.057 4.797 4.740 -0.000 0.000 0.321 49 N C 0.170 175.668 175.510 -0.019 0.000 1.224 49 N CA -0.441 52.597 53.050 -0.020 0.000 1.197 49 N CB -0.603 37.878 38.487 -0.010 0.000 1.453 49 N HN 0.735 nan 8.380 nan 0.000 0.544 50 C N -0.977 118.303 119.300 -0.034 0.000 4.356 50 C HA -0.210 4.250 4.460 -0.000 0.000 0.296 50 C C 0.317 175.303 174.990 -0.007 0.000 1.424 50 C CA -0.077 58.922 59.018 -0.032 0.000 2.000 50 C CB -2.866 24.858 27.740 -0.026 0.000 1.262 50 C HN 0.864 nan 8.230 nan 0.000 0.789 51 N N 0.164 118.862 118.700 -0.005 0.000 2.501 51 N HA 0.342 5.082 4.740 -0.000 0.000 0.245 51 N C 1.056 176.583 175.510 0.030 0.000 0.974 51 N CA 0.408 53.473 53.050 0.025 0.000 0.941 51 N CB 0.917 39.418 38.487 0.024 0.000 1.122 51 N HN 0.504 nan 8.380 nan 0.000 0.507 52 S N 2.866 118.607 115.700 0.069 0.000 2.528 52 S HA -0.196 4.274 4.470 -0.000 0.000 0.244 52 S C 1.661 176.341 174.600 0.133 0.000 0.982 52 S CA 0.664 58.903 58.200 0.065 0.000 0.953 52 S CB -0.098 63.186 63.200 0.141 0.000 0.754 52 S HN 0.685 nan 8.310 nan 0.000 0.529 53 K N 2.033 122.504 120.400 0.119 0.000 2.113 53 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 53 K C 0.875 177.524 176.600 0.080 0.000 1.047 53 K CA 1.808 58.164 56.287 0.116 0.000 0.928 53 K CB -0.381 32.167 32.500 0.080 0.000 0.716 53 K HN 0.616 nan 8.250 nan 0.000 0.446 54 N N -0.014 118.699 118.700 0.022 0.000 2.276 54 N HA 0.106 4.846 4.740 -0.000 0.000 0.212 54 N C 0.697 176.164 175.510 -0.072 0.000 1.127 54 N CA -0.196 52.843 53.050 -0.018 0.000 0.834 54 N CB 0.505 38.971 38.487 -0.035 0.000 1.014 54 N HN 0.134 nan 8.380 nan 0.000 0.491 55 L N -0.848 120.296 121.223 -0.132 0.000 2.547 55 L HA 0.334 4.674 4.340 -0.000 0.000 0.218 55 L C -0.636 175.840 176.870 -0.657 0.000 1.048 55 L CA 0.468 55.067 54.840 -0.402 0.000 0.859 55 L CB 0.444 42.145 42.059 -0.597 0.000 1.128 55 L HN 0.047 nan 8.230 nan 0.000 0.483 56 F N -1.222 118.714 119.950 -0.023 0.000 2.518 56 F HA 0.327 4.854 4.527 0.000 0.000 0.323 56 F C -0.014 175.815 175.800 0.048 0.000 1.129 56 F CA -1.016 56.979 58.000 -0.009 0.000 0.920 56 F CB 0.911 39.876 39.000 -0.059 0.000 1.160 56 F HN -0.092 nan 8.300 nan 0.000 0.440 57 H N 2.442 121.587 119.070 0.125 0.000 2.519 57 H HA 0.652 5.208 4.556 -0.000 0.000 0.316 57 H C -1.392 173.973 175.328 0.061 0.000 1.065 57 H CA -0.781 55.313 56.048 0.077 0.000 1.264 57 H CB 0.977 30.762 29.762 0.039 0.000 1.413 57 H HN 0.421 nan 8.280 nan 0.000 0.465 58 V N 5.756 125.514 119.914 -0.260 0.000 2.498 58 V HA 0.297 4.417 4.120 -0.000 0.000 0.279 58 V C 0.177 176.032 176.094 -0.398 0.000 1.048 58 V CA -0.266 61.866 62.300 -0.279 0.000 0.967 58 V CB 0.467 32.225 31.823 -0.107 0.000 0.988 58 V HN 0.739 nan 8.190 nan 0.000 0.473 59 K N 3.070 123.275 120.400 -0.325 0.000 2.532 59 K HA 0.430 4.750 4.320 -0.000 0.000 0.265 59 K C -0.537 176.028 176.600 -0.058 0.000 0.948 59 K CA -0.697 55.474 56.287 -0.194 0.000 0.842 59 K CB 1.883 34.247 32.500 -0.227 0.000 1.392 59 K HN 0.711 nan 8.250 nan 0.000 0.436 60 E N 1.302 121.507 120.200 0.008 0.000 2.392 60 E HA 0.089 4.439 4.350 -0.000 0.000 0.264 60 E C -0.792 175.899 176.600 0.153 0.000 1.024 60 E CA 0.246 56.682 56.400 0.059 0.000 0.903 60 E CB 0.347 30.070 29.700 0.039 0.000 0.963 60 E HN 0.327 nan 8.360 nan 0.000 0.432 61 F N 5.646 125.577 119.950 -0.031 0.000 2.542 61 F HA 0.288 4.815 4.527 -0.000 0.000 0.323 61 F C -2.320 173.450 175.800 -0.050 0.000 1.411 61 F CA -2.631 55.349 58.000 -0.034 0.000 1.124 61 F CB 0.660 39.652 39.000 -0.013 0.000 1.331 61 F HN 0.214 nan 8.300 nan 0.000 0.560 62 P HA 0.132 nan 4.420 nan 0.000 0.267 62 P C -0.900 176.134 177.300 -0.443 0.000 1.205 62 P CA 0.097 63.074 63.100 -0.205 0.000 0.765 62 P CB 1.753 33.382 31.700 -0.118 0.000 0.828 63 L N 2.607 123.540 121.223 -0.482 0.000 2.309 63 L HA 0.403 4.743 4.340 -0.000 0.000 0.261 63 L C 0.624 177.086 176.870 -0.680 0.000 1.021 63 L CA -0.517 53.849 54.840 -0.790 0.000 0.823 63 L CB 1.333 42.609 42.059 -1.305 0.000 1.366 63 L HN 0.348 nan 8.230 nan 0.000 0.423 64 E N 1.519 121.357 120.200 -0.603 0.000 2.400 64 E HA 0.283 4.633 4.350 -0.000 0.000 0.232 64 E C -1.299 175.152 176.600 -0.249 0.000 0.988 64 E CA -0.278 55.934 56.400 -0.312 0.000 0.823 64 E CB 0.386 29.997 29.700 -0.147 0.000 1.246 64 E HN 0.243 nan 8.360 nan 0.000 0.441 65 F N 1.542 121.526 119.950 0.057 0.000 2.484 65 F HA 0.141 4.668 4.527 0.000 0.000 0.360 65 F C 1.080 176.890 175.800 0.017 0.000 1.101 65 F CA -0.089 57.951 58.000 0.066 0.000 1.251 65 F CB 0.589 39.602 39.000 0.022 0.000 1.132 65 F HN 0.155 nan 8.300 nan 0.000 0.570 66 E N 1.265 121.559 120.200 0.157 0.000 2.227 66 E HA 0.206 4.556 4.350 -0.000 0.000 0.268 66 E C -1.015 175.612 176.600 0.044 0.000 0.907 66 E CA -0.993 55.449 56.400 0.070 0.000 0.786 66 E CB 1.877 31.585 29.700 0.013 0.000 1.191 66 E HN 0.554 nan 8.360 nan 0.000 0.411 67 N N 2.157 120.875 118.700 0.030 0.000 2.485 67 N HA 0.018 4.758 4.740 -0.000 0.000 0.243 67 N C 0.928 176.431 175.510 -0.012 0.000 0.987 67 N CA -0.180 52.870 53.050 -0.001 0.000 0.940 67 N CB 0.520 39.014 38.487 0.013 0.000 1.122 67 N HN 0.482 nan 8.380 nan 0.000 0.509 68 K N 3.368 123.738 120.400 -0.050 0.000 2.147 68 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 68 K C 0.938 177.509 176.600 -0.048 0.000 1.049 68 K CA 1.092 57.344 56.287 -0.058 0.000 0.936 68 K CB -0.020 32.430 32.500 -0.082 0.000 0.722 68 K HN 0.504 nan 8.250 nan 0.000 0.446 69 L N 1.158 122.343 121.223 -0.063 0.000 2.591 69 L HA 0.034 4.374 4.340 -0.000 0.000 0.228 69 L C 1.419 178.301 176.870 0.020 0.000 1.133 69 L CA 0.082 54.893 54.840 -0.048 0.000 0.880 69 L CB -0.494 41.502 42.059 -0.105 0.000 1.033 69 L HN 0.185 nan 8.230 nan 0.000 0.450 70 D N 1.453 121.893 120.400 0.067 0.000 2.268 70 D HA -0.282 4.358 4.640 -0.000 0.000 0.189 70 D C 1.379 177.817 176.300 0.230 0.000 1.010 70 D CA 2.076 56.175 54.000 0.165 0.000 0.862 70 D CB -0.039 40.924 40.800 0.271 0.000 0.943 70 D HN 0.210 nan 8.370 nan 0.000 0.451 71 F N -0.076 119.853 119.950 -0.035 0.000 2.692 71 F HA 0.326 4.853 4.527 0.000 0.000 0.303 71 F C 0.435 176.217 175.800 -0.031 0.000 1.114 71 F CA -0.139 57.845 58.000 -0.027 0.000 1.361 71 F CB 0.044 39.031 39.000 -0.022 0.000 1.063 71 F HN -0.144 nan 8.300 nan 0.000 0.550 72 E N 0.711 120.966 120.200 0.092 0.000 2.197 72 E HA 0.373 4.723 4.350 -0.000 0.000 0.281 72 E C -0.679 175.916 176.600 -0.009 0.000 0.995 72 E CA -0.264 56.154 56.400 0.030 0.000 0.808 72 E CB 0.871 30.573 29.700 0.003 0.000 1.093 72 E HN 0.102 nan 8.360 nan 0.000 0.394 73 L N 3.439 124.654 121.223 -0.013 0.000 2.319 73 L HA 0.373 4.713 4.340 -0.000 0.000 0.280 73 L C 0.317 177.173 176.870 -0.024 0.000 1.099 73 L CA -0.655 54.171 54.840 -0.024 0.000 0.828 73 L CB 0.963 43.010 42.059 -0.020 0.000 1.150 73 L HN 0.672 nan 8.230 nan 0.000 0.442 74 A N 4.177 126.980 122.820 -0.027 0.000 2.520 74 A HA 0.163 4.483 4.320 -0.000 0.000 0.235 74 A C 0.231 177.807 177.584 -0.014 0.000 1.065 74 A CA 0.422 52.444 52.037 -0.026 0.000 0.764 74 A CB 0.577 19.564 19.000 -0.022 0.000 1.002 74 A HN 0.926 nan 8.150 nan 0.000 0.502 75 Q N -0.693 119.100 119.800 -0.011 0.000 2.784 75 Q HA 0.082 4.422 4.340 -0.000 0.000 0.207 75 Q C 1.554 177.567 176.000 0.021 0.000 1.021 75 Q CA -0.239 55.565 55.803 0.002 0.000 0.417 75 Q CB -0.132 28.603 28.738 -0.004 0.000 4.567 75 Q HN 0.778 nan 8.270 nan 0.000 0.306 76 Q N 1.212 121.030 119.800 0.031 0.000 2.079 76 Q HA -0.124 4.216 4.340 -0.000 0.000 0.200 76 Q C 1.554 177.613 176.000 0.100 0.000 0.974 76 Q CA 1.775 57.616 55.803 0.063 0.000 0.840 76 Q CB -0.338 28.446 28.738 0.076 0.000 0.898 76 Q HN 0.325 nan 8.270 nan 0.000 0.430 77 N N -1.058 117.693 118.700 0.085 0.000 2.025 77 N HA -0.121 4.619 4.740 -0.000 0.000 0.194 77 N C 1.287 176.849 175.510 0.087 0.000 1.069 77 N CA 2.662 55.778 53.050 0.109 0.000 0.855 77 N CB -0.417 38.066 38.487 -0.007 0.000 1.054 77 N HN 0.393 nan 8.380 nan 0.000 0.427 78 G N -0.024 108.799 108.800 0.038 0.000 2.420 78 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.221 78 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.221 78 G C 0.739 175.656 174.900 0.029 0.000 1.117 78 G CA 0.402 45.521 45.100 0.032 0.000 0.657 78 G HN 0.423 nan 8.290 nan 0.000 0.512 79 L N 1.743 122.995 121.223 0.048 0.000 2.633 79 L HA 0.380 4.720 4.340 -0.000 0.000 0.235 79 L C 2.228 179.102 176.870 0.006 0.000 1.163 79 L CA 1.336 56.203 54.840 0.045 0.000 0.859 79 L CB -0.623 41.486 42.059 0.084 0.000 0.973 79 L HN 0.527 nan 8.230 nan 0.000 0.451 80 L N 0.426 121.636 121.223 -0.022 0.000 1.892 80 L HA -0.213 4.127 4.340 -0.000 0.000 0.233 80 L C 1.554 178.386 176.870 -0.064 0.000 1.090 80 L CA 1.771 56.570 54.840 -0.069 0.000 0.821 80 L CB -0.901 41.109 42.059 -0.082 0.000 0.896 80 L HN 0.308 nan 8.230 nan 0.000 0.428 81 N N -0.273 118.394 118.700 -0.054 0.000 2.471 81 N HA -0.033 4.707 4.740 -0.000 0.000 0.205 81 N C 1.625 177.122 175.510 -0.021 0.000 1.251 81 N CA 0.578 53.600 53.050 -0.045 0.000 0.843 81 N CB -0.073 38.386 38.487 -0.045 0.000 1.044 81 N HN 0.403 nan 8.380 nan 0.000 0.461 82 S N 0.042 115.738 115.700 -0.008 0.000 2.400 82 S HA -0.112 4.358 4.470 -0.000 0.000 0.232 82 S C 0.823 175.442 174.600 0.032 0.000 1.025 82 S CA 1.246 59.455 58.200 0.015 0.000 0.993 82 S CB 0.120 63.337 63.200 0.028 0.000 0.808 82 S HN 0.271 nan 8.310 nan 0.000 0.478 83 Q N 0.199 120.021 119.800 0.037 0.000 2.454 83 Q HA 0.365 4.705 4.340 -0.000 0.000 0.255 83 Q C -2.207 173.820 176.000 0.046 0.000 1.034 83 Q CA -2.549 53.297 55.803 0.072 0.000 0.736 83 Q CB 1.636 30.460 28.738 0.144 0.000 1.210 83 Q HN 0.133 nan 8.270 nan 0.000 0.500 84 P HA -0.165 nan 4.420 nan 0.000 0.210 84 P C 0.181 177.509 177.300 0.046 0.000 1.185 84 P CA 0.576 63.692 63.100 0.026 0.000 0.924 84 P CB 0.128 31.840 31.700 0.020 0.000 0.786 85 V N 0.382 120.344 119.914 0.080 0.000 2.726 85 V HA -0.171 3.949 4.120 -0.000 0.000 0.304 85 V C 0.529 176.695 176.094 0.120 0.000 1.115 85 V CA 0.594 62.960 62.300 0.111 0.000 1.264 85 V CB -0.780 31.124 31.823 0.135 0.000 0.867 85 V HN 0.251 nan 8.190 nan 0.000 0.498 86 C N 7.531 126.883 119.300 0.086 0.000 2.369 86 C HA 0.689 5.149 4.460 -0.000 0.000 0.358 86 C C -0.138 174.818 174.990 -0.056 0.000 1.274 86 C CA -0.619 58.372 59.018 -0.044 0.000 1.935 86 C CB -0.469 27.268 27.740 -0.004 0.000 2.431 86 C HN 0.884 nan 8.230 nan 0.000 0.545 87 Y N 2.430 122.482 120.300 -0.415 0.000 2.615 87 Y HA 0.791 5.341 4.550 -0.000 0.000 0.341 87 Y C -3.052 172.395 175.900 -0.754 0.000 1.089 87 Y CA -3.374 54.407 58.100 -0.533 0.000 1.049 87 Y CB 0.525 38.685 38.460 -0.499 0.000 1.296 87 Y HN 0.390 nan 8.280 nan 0.000 0.470 88 P HA 0.421 nan 4.420 nan 0.000 0.284 88 P C -0.569 176.583 177.300 -0.247 0.000 1.253 88 P CA -0.276 62.550 63.100 -0.458 0.000 0.800 88 P CB 2.559 34.200 31.700 -0.098 0.000 0.961 89 R N 1.566 121.933 120.500 -0.222 0.000 2.064 89 R HA 0.214 4.554 4.340 -0.000 0.000 0.210 89 R C 0.556 176.872 176.300 0.027 0.000 1.221 89 R CA 0.680 56.721 56.100 -0.099 0.000 1.055 89 R CB 0.078 30.293 30.300 -0.141 0.000 0.946 89 R HN 0.485 nan 8.270 nan 0.000 0.459 90 V N -2.418 117.541 119.914 0.075 0.000 2.960 90 V HA 0.638 4.758 4.120 -0.000 0.000 0.315 90 V C -1.061 175.193 176.094 0.267 0.000 1.087 90 V CA -1.111 61.282 62.300 0.155 0.000 0.982 90 V CB 1.997 33.892 31.823 0.120 0.000 1.039 90 V HN 0.351 nan 8.190 nan 0.000 0.437 91 C N 3.614 123.078 119.300 0.273 0.000 2.642 91 C HA 0.791 5.251 4.460 -0.000 0.000 0.344 91 C C -0.768 174.411 174.990 0.315 0.000 1.110 91 C CA -0.393 58.821 59.018 0.327 0.000 1.298 91 C CB 0.759 28.639 27.740 0.234 0.000 1.827 91 C HN 1.122 nan 8.230 nan 0.000 0.467 92 K N 6.689 127.382 120.400 0.489 0.000 2.578 92 K HA 0.533 4.853 4.320 -0.000 0.000 0.250 92 K C -2.708 174.202 176.600 0.517 0.000 0.955 92 K CA -1.160 55.389 56.287 0.437 0.000 0.825 92 K CB 2.575 35.328 32.500 0.423 0.000 1.151 92 K HN 0.545 nan 8.250 nan 0.000 0.432 93 P HA 0.025 nan 4.420 nan 0.000 0.277 93 P C -0.375 176.817 177.300 -0.180 0.000 1.240 93 P CA -0.461 62.660 63.100 0.036 0.000 0.798 93 P CB 1.372 33.043 31.700 -0.049 0.000 0.979 94 S N 2.337 117.639 115.700 -0.663 0.000 2.549 94 S HA 0.106 4.576 4.470 -0.000 0.000 0.286 94 S C -1.113 173.152 174.600 -0.558 0.000 1.314 94 S CA -1.155 56.228 58.200 -1.361 0.000 1.062 94 S CB -0.336 61.940 63.200 -1.540 0.000 0.865 94 S HN 0.346 nan 8.310 nan 0.000 0.498 95 P HA 0.064 nan 4.420 nan 0.000 0.237 95 P C 0.804 177.983 177.300 -0.202 0.000 1.178 95 P CA 0.775 63.760 63.100 -0.191 0.000 0.766 95 P CB 0.155 31.794 31.700 -0.101 0.000 0.876 96 I N -0.860 119.526 120.570 -0.308 0.000 3.518 96 I HA 0.135 4.304 4.170 -0.000 0.000 0.260 96 I C 0.634 176.600 176.117 -0.252 0.000 1.148 96 I CA 0.245 61.390 61.300 -0.259 0.000 1.440 96 I CB 0.186 38.013 38.000 -0.288 0.000 1.485 96 I HN -0.151 nan 8.210 nan 0.000 0.456 97 D N 0.929 121.102 120.400 -0.378 0.000 2.340 97 D HA 0.167 4.807 4.640 -0.000 0.000 0.243 97 D C -1.115 175.226 176.300 0.069 0.000 0.988 97 D CA -0.406 53.489 54.000 -0.175 0.000 0.959 97 D CB 1.966 42.543 40.800 -0.372 0.000 1.226 97 D HN -0.041 nan 8.370 nan 0.000 0.509 98 D N 0.212 120.782 120.400 0.282 0.000 2.393 98 D HA 0.197 4.837 4.640 -0.000 0.000 0.232 98 D C -1.173 175.343 176.300 0.361 0.000 1.192 98 D CA -0.034 54.112 54.000 0.243 0.000 0.882 98 D CB 0.354 41.248 40.800 0.156 0.000 1.038 98 D HN 0.220 nan 8.370 nan 0.000 0.499 99 W N 5.068 126.369 121.300 0.001 0.000 3.536 99 W HA 0.210 4.870 4.660 -0.000 0.000 0.301 99 W C -2.187 174.328 176.519 -0.007 0.000 1.092 99 W CA -0.758 56.595 57.345 0.014 0.000 1.070 99 W CB 0.696 30.077 29.460 -0.132 0.000 1.335 99 W HN 0.277 nan 8.180 nan 0.000 0.565 100 M N 3.890 123.782 119.600 0.487 0.000 2.449 100 M HA 0.578 5.058 4.480 -0.000 0.000 0.291 100 M C -2.001 174.647 176.300 0.580 0.000 1.148 100 M CA -0.016 55.559 55.300 0.458 0.000 0.925 100 M CB 1.504 34.198 32.600 0.157 0.000 1.767 100 M HN 0.585 nan 8.290 nan 0.000 0.503 101 A N 3.289 126.471 122.820 0.604 0.000 2.355 101 A HA 0.862 5.182 4.320 -0.000 0.000 0.324 101 A C -1.466 176.134 177.584 0.027 0.000 1.117 101 A CA -0.608 51.494 52.037 0.109 0.000 0.785 101 A CB 1.841 20.560 19.000 -0.469 0.000 1.254 101 A HN 0.669 nan 8.150 nan 0.000 0.453 102 V N 2.683 122.564 119.914 -0.054 0.000 2.525 102 V HA 0.305 4.425 4.120 -0.000 0.000 0.299 102 V C -0.804 175.246 176.094 -0.073 0.000 1.034 102 V CA -0.436 61.931 62.300 0.112 0.000 0.863 102 V CB 1.457 33.534 31.823 0.423 0.000 0.999 102 V HN 0.859 nan 8.190 nan 0.000 0.423 103 L N 6.144 127.371 121.223 0.006 0.000 2.313 103 L HA 0.549 4.889 4.340 -0.000 0.000 0.282 103 L C 0.758 177.537 176.870 -0.151 0.000 1.092 103 L CA 0.827 55.650 54.840 -0.028 0.000 0.831 103 L CB 1.259 43.419 42.059 0.168 0.000 1.159 103 L HN 0.847 nan 8.230 nan 0.000 0.442 104 S N 3.240 118.779 115.700 -0.268 0.000 2.681 104 S HA 0.269 4.739 4.470 -0.000 0.000 0.270 104 S C 0.949 175.261 174.600 -0.480 0.000 1.209 104 S CA -0.144 57.762 58.200 -0.489 0.000 0.988 104 S CB 0.676 63.570 63.200 -0.510 0.000 1.006 104 S HN 0.767 nan 8.310 nan 0.000 0.558 105 N N 0.286 118.581 118.700 -0.675 0.000 2.521 105 N HA -0.055 4.685 4.740 -0.000 0.000 0.188 105 N C 0.010 175.278 175.510 -0.403 0.000 1.146 105 N CA 0.486 53.164 53.050 -0.620 0.000 0.893 105 N CB -0.858 36.998 38.487 -1.051 0.000 0.975 105 N HN 0.672 nan 8.380 nan 0.000 0.451 106 N N -0.751 117.731 118.700 -0.364 0.000 2.235 106 N HA 0.257 4.997 4.740 -0.000 0.000 0.231 106 N C 0.436 175.755 175.510 -0.318 0.000 1.177 106 N CA 0.403 53.282 53.050 -0.286 0.000 0.874 106 N CB 0.905 39.262 38.487 -0.218 0.000 1.097 106 N HN 0.309 nan 8.380 nan 0.000 0.518 107 G N 0.257 108.834 108.800 -0.370 0.000 2.159 107 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.256 107 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.256 107 G C -0.343 174.344 174.900 -0.354 0.000 0.977 107 G CA -0.307 44.539 45.100 -0.423 0.000 0.652 107 G HN 0.318 nan 8.290 nan 0.000 0.531 108 N N -0.275 118.267 118.700 -0.264 0.000 2.472 108 N HA 0.517 5.257 4.740 -0.000 0.000 0.277 108 N C -0.105 175.335 175.510 -0.118 0.000 1.081 108 N CA -0.109 52.831 53.050 -0.182 0.000 0.973 108 N CB 1.835 40.238 38.487 -0.140 0.000 1.105 108 N HN 0.126 nan 8.380 nan 0.000 0.470 109 V N 1.783 121.652 119.914 -0.075 0.000 2.334 109 V HA 0.403 4.523 4.120 -0.000 0.000 0.281 109 V C -0.295 175.598 176.094 -0.335 0.000 1.016 109 V CA -0.557 61.592 62.300 -0.252 0.000 0.832 109 V CB 0.784 32.388 31.823 -0.364 0.000 0.999 109 V HN 0.628 nan 8.190 nan 0.000 0.439 110 S N 3.576 119.102 115.700 -0.290 0.000 2.537 110 S HA 0.736 5.206 4.470 -0.000 0.000 0.301 110 S C -0.339 173.933 174.600 -0.547 0.000 1.092 110 S CA -0.626 57.322 58.200 -0.420 0.000 1.048 110 S CB 2.222 65.208 63.200 -0.356 0.000 1.053 110 S HN 0.400 nan 8.310 nan 0.000 0.501 111 V N 2.910 122.402 119.914 -0.704 0.000 2.483 111 V HA 0.581 4.701 4.120 -0.000 0.000 0.295 111 V C -1.231 174.479 176.094 -0.639 0.000 1.035 111 V CA -0.471 61.544 62.300 -0.475 0.000 0.896 111 V CB 0.925 32.456 31.823 -0.486 0.000 0.986 111 V HN 0.788 nan 8.190 nan 0.000 0.447 112 F N 3.024 122.942 119.950 -0.053 0.000 2.540 112 F HA 0.590 5.117 4.527 -0.000 0.000 0.317 112 F C 0.002 175.738 175.800 -0.106 0.000 1.104 112 F CA -0.996 56.955 58.000 -0.082 0.000 0.913 112 F CB 1.998 40.981 39.000 -0.028 0.000 1.170 112 F HN 0.240 nan 8.300 nan 0.000 0.450 113 K N 3.525 123.934 120.400 0.015 0.000 2.264 113 K HA 0.313 4.633 4.320 -0.000 0.000 0.277 113 K C 0.141 176.808 176.600 0.112 0.000 1.067 113 K CA 0.031 56.306 56.287 -0.021 0.000 0.900 113 K CB -0.064 32.347 32.500 -0.149 0.000 1.124 113 K HN 0.678 nan 8.250 nan 0.000 0.469 114 D N 2.272 122.793 120.400 0.201 0.000 4.259 114 D HA -0.347 4.293 4.640 -0.000 0.000 0.150 114 D C 0.526 176.983 176.300 0.262 0.000 0.731 114 D CA 2.077 56.253 54.000 0.294 0.000 1.138 114 D CB -0.696 40.215 40.800 0.185 0.000 0.540 114 D HN 0.703 nan 8.370 nan 0.000 0.507 115 N N 1.419 120.148 118.700 0.048 0.000 2.511 115 N HA 0.018 4.758 4.740 -0.000 0.000 0.190 115 N C 0.340 175.853 175.510 0.006 0.000 1.037 115 N CA 0.232 53.165 53.050 -0.195 0.000 0.895 115 N CB 0.036 38.365 38.487 -0.263 0.000 1.149 115 N HN 0.322 nan 8.380 nan 0.000 0.437 116 K N 1.747 122.168 120.400 0.036 0.000 2.473 116 K HA -0.071 4.249 4.320 -0.000 0.000 0.277 116 K C 0.485 177.165 176.600 0.134 0.000 1.052 116 K CA 0.015 56.333 56.287 0.052 0.000 1.114 116 K CB 0.254 32.753 32.500 -0.001 0.000 0.869 116 K HN 0.261 nan 8.250 nan 0.000 0.481 117 M N 3.858 123.520 119.600 0.102 0.000 2.252 117 M HA -0.030 4.450 4.480 -0.000 0.000 0.333 117 M C -0.123 176.022 176.300 -0.258 0.000 1.111 117 M CA 0.671 55.793 55.300 -0.297 0.000 1.140 117 M CB 0.512 32.903 32.600 -0.348 0.000 1.538 117 M HN 0.628 nan 8.290 nan 0.000 0.448 118 L N 1.276 122.285 121.223 -0.356 0.000 2.356 118 L HA 0.315 4.655 4.340 -0.000 0.000 0.193 118 L C 0.894 177.673 176.870 -0.150 0.000 1.087 118 L CA 0.659 55.377 54.840 -0.202 0.000 0.817 118 L CB 0.089 42.042 42.059 -0.177 0.000 1.035 118 L HN 0.881 nan 8.230 nan 0.000 0.482 119 T N -1.441 112.980 114.554 -0.221 0.000 2.982 119 T HA 0.273 4.623 4.350 -0.000 0.000 0.321 119 T C -1.393 173.136 174.700 -0.285 0.000 1.229 119 T CA -0.671 61.337 62.100 -0.153 0.000 1.044 119 T CB 1.802 70.695 68.868 0.041 0.000 1.184 119 T HN -0.015 nan 8.240 nan 0.000 0.477 120 N N 4.198 122.770 118.700 -0.212 0.000 2.485 120 N HA 0.371 5.111 4.740 -0.000 0.000 0.243 120 N C -0.137 175.259 175.510 -0.190 0.000 0.987 120 N CA -0.717 52.195 53.050 -0.230 0.000 0.940 120 N CB 0.105 38.494 38.487 -0.163 0.000 1.122 120 N HN 0.683 nan 8.380 nan 0.000 0.509 121 L N 2.203 123.237 121.223 -0.315 0.000 2.559 121 L HA 0.131 4.471 4.340 -0.000 0.000 0.274 121 L C 0.388 177.201 176.870 -0.094 0.000 1.205 121 L CA 0.592 55.168 54.840 -0.440 0.000 0.907 121 L CB 0.013 41.517 42.059 -0.925 0.000 1.153 121 L HN 0.517 nan 8.230 nan 0.000 0.490 122 D N 0.835 121.299 120.400 0.106 0.000 2.599 122 D HA 0.695 5.335 4.640 -0.000 0.000 0.252 122 D C -0.933 175.584 176.300 0.361 0.000 1.232 122 D CA -0.029 54.104 54.000 0.222 0.000 0.819 122 D CB 2.191 43.050 40.800 0.097 0.000 1.401 122 D HN 0.567 nan 8.370 nan 0.000 0.429 123 S N -0.272 115.540 115.700 0.186 0.000 2.761 123 S HA 0.371 4.841 4.470 -0.000 0.000 0.290 123 S C 0.548 175.084 174.600 -0.106 0.000 1.222 123 S CA 0.078 58.281 58.200 0.005 0.000 0.954 123 S CB 0.707 63.799 63.200 -0.180 0.000 1.281 123 S HN 0.652 nan 8.310 nan 0.000 0.527 124 K N 0.638 120.873 120.400 -0.275 0.000 2.584 124 K HA -0.145 4.175 4.320 -0.000 0.000 0.159 124 K C 1.239 177.777 176.600 -0.102 0.000 0.671 124 K CA 2.115 58.277 56.287 -0.208 0.000 0.850 124 K CB -1.720 30.622 32.500 -0.263 0.000 0.276 124 K HN 1.328 nan 8.250 nan 0.000 1.055 125 G N -1.261 107.489 108.800 -0.084 0.000 3.453 125 G HA2 0.197 4.157 3.960 -0.000 0.000 0.165 125 G HA3 0.197 4.157 3.960 -0.000 0.000 0.165 125 G C -0.293 174.579 174.900 -0.047 0.000 1.220 125 G CA 0.466 45.533 45.100 -0.054 0.000 1.305 125 G HN 0.437 nan 8.290 nan 0.000 0.695 126 N N -1.121 117.557 118.700 -0.037 0.000 2.757 126 N HA -0.303 4.437 4.740 -0.000 0.000 0.164 126 N C 1.528 177.015 175.510 -0.038 0.000 0.240 126 N CA 3.539 56.571 53.050 -0.030 0.000 1.823 126 N CB -0.598 37.875 38.487 -0.024 0.000 1.236 126 N HN 1.653 nan 8.380 nan 0.000 0.414 127 L N -3.497 117.694 121.223 -0.055 0.000 1.854 127 L HA -0.193 4.147 4.340 -0.000 0.000 0.500 127 L C 1.526 178.339 176.870 -0.095 0.000 0.727 127 L CA 2.523 57.315 54.840 -0.081 0.000 3.096 127 L CB -1.864 40.157 42.059 -0.064 0.000 0.781 127 L HN 0.330 nan 8.230 nan 0.000 0.735 128 S N -0.251 115.415 115.700 -0.057 0.000 2.365 128 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 128 S C 1.749 176.328 174.600 -0.035 0.000 1.039 128 S CA 2.369 60.542 58.200 -0.044 0.000 1.033 128 S CB -0.378 62.823 63.200 0.001 0.000 0.887 128 S HN 0.686 nan 8.310 nan 0.000 0.447 129 S N 0.490 116.180 115.700 -0.017 0.000 2.419 129 S HA 0.084 4.554 4.470 -0.000 0.000 0.233 129 S C 1.763 176.391 174.600 0.046 0.000 1.016 129 S CA 0.751 58.963 58.200 0.021 0.000 0.974 129 S CB -0.165 63.033 63.200 -0.004 0.000 0.786 129 S HN 0.489 nan 8.310 nan 0.000 0.492 130 R N 0.385 120.837 120.500 -0.079 0.000 2.362 130 R HA 0.116 4.456 4.340 -0.000 0.000 0.227 130 R C 0.413 176.301 176.300 -0.686 0.000 0.905 130 R CA 0.157 56.132 56.100 -0.209 0.000 1.067 130 R CB 0.581 30.791 30.300 -0.150 0.000 1.078 130 R HN 0.215 nan 8.270 nan 0.000 0.516 131 T N -0.366 113.861 114.554 -0.544 0.000 2.779 131 T HA 0.430 4.780 4.350 -0.000 0.000 0.280 131 T C -0.738 173.676 174.700 -0.477 0.000 0.987 131 T CA -0.487 61.218 62.100 -0.659 0.000 0.966 131 T CB 0.693 69.314 68.868 -0.411 0.000 0.933 131 T HN 0.050 nan 8.240 nan 0.000 0.442 132 Y N 2.360 122.516 120.300 -0.241 0.000 2.487 132 Y HA 0.500 5.050 4.550 -0.000 0.000 0.337 132 Y C 1.352 177.031 175.900 -0.368 0.000 1.076 132 Y CA -1.210 56.782 58.100 -0.179 0.000 1.115 132 Y CB 1.849 40.240 38.460 -0.115 0.000 1.235 132 Y HN 0.702 nan 8.280 nan 0.000 0.468 133 H N 0.535 119.649 119.070 0.074 0.000 3.233 133 H HA 0.313 4.869 4.556 -0.000 0.000 0.263 133 H C -0.615 174.737 175.328 0.041 0.000 1.168 133 H CA 0.106 56.166 56.048 0.021 0.000 1.159 133 H CB 0.785 30.559 29.762 0.020 0.000 1.593 133 H HN 0.730 nan 8.280 nan 0.000 0.580 134 C N -0.219 119.171 119.300 0.151 0.000 3.224 134 C HA 0.582 5.042 4.460 -0.000 0.000 0.348 134 C C -1.602 173.447 174.990 0.098 0.000 1.242 134 C CA -1.451 57.610 59.018 0.071 0.000 1.180 134 C CB 0.590 28.322 27.740 -0.014 0.000 1.458 134 C HN 0.271 nan 8.230 nan 0.000 0.485 135 F N -0.623 119.275 119.950 -0.086 0.000 2.628 135 F HA 0.893 5.420 4.527 -0.000 0.000 0.309 135 F C -0.958 174.777 175.800 -0.108 0.000 1.108 135 F CA -0.644 57.258 58.000 -0.162 0.000 0.971 135 F CB 1.276 40.121 39.000 -0.257 0.000 1.279 135 F HN 0.865 nan 8.300 nan 0.000 0.441 136 E N 2.301 122.487 120.200 -0.024 0.000 2.288 136 E HA 0.490 4.840 4.350 -0.000 0.000 0.268 136 E C -2.105 174.600 176.600 0.176 0.000 0.885 136 E CA -0.615 55.823 56.400 0.064 0.000 0.767 136 E CB 1.504 31.331 29.700 0.212 0.000 1.220 136 E HN 0.671 nan 8.360 nan 0.000 0.427 137 W N 2.149 123.589 121.300 0.234 0.000 2.316 137 W HA 0.340 5.000 4.660 0.000 0.000 0.321 137 W C 0.643 177.069 176.519 -0.154 0.000 1.203 137 W CA -0.451 56.963 57.345 0.115 0.000 1.214 137 W CB 0.701 30.191 29.460 0.050 0.000 1.169 137 W HN 0.502 nan 8.180 nan 0.000 0.561 138 N N 4.274 122.881 118.700 -0.155 0.000 2.438 138 N HA -0.001 4.739 4.740 -0.000 0.000 0.267 138 N C -1.273 173.884 175.510 -0.588 0.000 1.222 138 N CA -0.806 51.601 53.050 -1.071 0.000 0.930 138 N CB 1.054 39.132 38.487 -0.681 0.000 1.083 138 N HN 0.122 nan 8.380 nan 0.000 0.476 139 P HA -0.019 nan 4.420 nan 0.000 0.241 139 P C 0.608 177.751 177.300 -0.262 0.000 1.191 139 P CA 0.807 63.714 63.100 -0.322 0.000 0.771 139 P CB 0.475 32.028 31.700 -0.244 0.000 0.929 140 I N -1.349 119.033 120.570 -0.313 0.000 3.366 140 I HA 0.094 4.264 4.170 -0.000 0.000 0.267 140 I C 1.089 177.114 176.117 -0.154 0.000 1.149 140 I CA 0.432 61.621 61.300 -0.186 0.000 1.436 140 I CB 0.502 38.422 38.000 -0.133 0.000 1.379 140 I HN -0.117 nan 8.210 nan 0.000 0.460 141 E N -0.365 119.736 120.200 -0.165 0.000 2.586 141 E HA 0.317 4.667 4.350 -0.000 0.000 0.232 141 E C -0.516 175.999 176.600 -0.141 0.000 0.854 141 E CA -0.590 55.736 56.400 -0.123 0.000 0.938 141 E CB 0.814 30.475 29.700 -0.065 0.000 1.518 141 E HN -0.198 nan 8.360 nan 0.000 0.400 142 S N 0.711 116.340 115.700 -0.119 0.000 3.170 142 S HA 0.387 4.857 4.470 -0.000 0.000 0.257 142 S C -0.839 173.753 174.600 -0.014 0.000 1.284 142 S CA -0.358 57.755 58.200 -0.146 0.000 0.973 142 S CB -0.448 62.597 63.200 -0.258 0.000 1.330 142 S HN 0.457 nan 8.310 nan 0.000 0.493 143 S N 2.760 118.534 115.700 0.124 0.000 2.776 143 S HA 0.846 5.316 4.470 -0.000 0.000 0.292 143 S C -1.033 173.821 174.600 0.424 0.000 1.187 143 S CA -0.791 57.581 58.200 0.287 0.000 0.834 143 S CB 1.312 64.688 63.200 0.294 0.000 1.199 143 S HN 0.466 nan 8.310 nan 0.000 0.514 144 I N 0.458 121.293 120.570 0.442 0.000 3.004 144 I HA 0.718 4.888 4.170 -0.000 0.000 0.305 144 I C -1.949 174.329 176.117 0.270 0.000 1.312 144 I CA -0.938 60.505 61.300 0.238 0.000 0.992 144 I CB 2.155 40.029 38.000 -0.209 0.000 1.282 144 I HN 0.748 nan 8.210 nan 0.000 0.449 145 V N 5.547 125.519 119.914 0.096 0.000 2.735 145 V HA 0.706 4.826 4.120 -0.000 0.000 0.310 145 V C -0.323 175.660 176.094 -0.186 0.000 1.061 145 V CA -0.750 61.423 62.300 -0.211 0.000 0.913 145 V CB 1.314 32.822 31.823 -0.526 0.000 1.005 145 V HN 0.554 nan 8.190 nan 0.000 0.428 146 V N 0.285 120.041 119.914 -0.264 0.000 2.881 146 V HA 1.058 5.178 4.120 -0.000 0.000 0.316 146 V C 0.380 176.325 176.094 -0.248 0.000 1.070 146 V CA -0.380 61.726 62.300 -0.324 0.000 0.976 146 V CB 1.652 32.978 31.823 -0.828 0.000 1.038 146 V HN 1.138 nan 8.190 nan 0.000 0.446 147 G N 1.896 110.630 108.800 -0.111 0.000 2.461 147 G HA2 0.654 4.614 3.960 -0.000 0.000 0.323 147 G HA3 0.654 4.614 3.960 -0.000 0.000 0.323 147 G C -0.808 174.182 174.900 0.150 0.000 1.229 147 G CA -0.637 44.465 45.100 0.002 0.000 0.941 147 G HN 1.124 nan 8.290 nan 0.000 0.477 148 N N -0.247 118.562 118.700 0.181 0.000 2.989 148 N HA 0.261 5.001 4.740 -0.000 0.000 0.338 148 N C 0.419 176.026 175.510 0.162 0.000 1.369 148 N CA -0.970 52.236 53.050 0.259 0.000 0.794 148 N CB 1.128 39.790 38.487 0.292 0.000 1.359 148 N HN 0.391 nan 8.380 nan 0.000 0.609 149 E N -1.348 118.884 120.200 0.053 0.000 2.502 149 E HA 0.009 4.359 4.350 -0.000 0.000 0.194 149 E C -0.338 176.388 176.600 0.210 0.000 1.062 149 E CA 0.423 56.809 56.400 -0.023 0.000 0.867 149 E CB -0.124 29.387 29.700 -0.315 0.000 0.888 149 E HN 0.550 nan 8.360 nan 0.000 0.510 150 D N -0.248 120.234 120.400 0.137 0.000 2.339 150 D HA 0.080 4.720 4.640 -0.000 0.000 0.217 150 D C 0.425 176.781 176.300 0.093 0.000 1.050 150 D CA 0.362 54.428 54.000 0.110 0.000 0.856 150 D CB 0.688 41.527 40.800 0.065 0.000 0.922 150 D HN 0.190 nan 8.370 nan 0.000 0.518 151 G N 1.659 110.528 108.800 0.115 0.000 2.385 151 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.294 151 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.294 151 G C -0.234 174.657 174.900 -0.014 0.000 1.070 151 G CA 0.165 45.295 45.100 0.050 0.000 1.172 151 G HN 0.352 nan 8.290 nan 0.000 0.516 152 E N -0.354 119.851 120.200 0.009 0.000 2.352 152 E HA 0.575 4.925 4.350 -0.000 0.000 0.280 152 E C -0.515 176.075 176.600 -0.017 0.000 0.930 152 E CA -1.052 55.344 56.400 -0.007 0.000 0.765 152 E CB 1.337 31.055 29.700 0.030 0.000 1.219 152 E HN 0.286 nan 8.360 nan 0.000 0.434 153 L N 3.412 124.607 121.223 -0.046 0.000 2.305 153 L HA 0.444 4.784 4.340 -0.000 0.000 0.284 153 L C -0.374 176.425 176.870 -0.118 0.000 1.013 153 L CA -0.609 54.137 54.840 -0.157 0.000 0.819 153 L CB 1.639 43.543 42.059 -0.258 0.000 1.227 153 L HN 0.451 nan 8.230 nan 0.000 0.417 154 Q N 2.987 122.700 119.800 -0.145 0.000 2.293 154 Q HA 0.539 4.879 4.340 -0.000 0.000 0.261 154 Q C -1.402 174.512 176.000 -0.145 0.000 0.960 154 Q CA -0.496 55.320 55.803 0.021 0.000 0.882 154 Q CB 2.425 31.301 28.738 0.230 0.000 1.275 154 Q HN 0.365 nan 8.270 nan 0.000 0.445 155 F N 1.880 121.717 119.950 -0.188 0.000 2.443 155 F HA 0.515 5.042 4.527 -0.000 0.000 0.335 155 F C -0.532 175.028 175.800 -0.400 0.000 1.104 155 F CA -0.572 57.339 58.000 -0.148 0.000 1.013 155 F CB 0.958 39.834 39.000 -0.206 0.000 1.136 155 F HN 0.398 nan 8.300 nan 0.000 0.470 156 F N 1.109 121.126 119.950 0.112 0.000 2.518 156 F HA 0.519 5.046 4.527 -0.000 0.000 0.323 156 F C 0.211 176.079 175.800 0.112 0.000 1.129 156 F CA -0.620 57.424 58.000 0.073 0.000 0.920 156 F CB 1.870 41.009 39.000 0.231 0.000 1.160 156 F HN 0.327 nan 8.300 nan 0.000 0.440 157 S N 2.770 118.496 115.700 0.043 0.000 2.690 157 S HA 0.682 5.152 4.470 -0.000 0.000 0.285 157 S C 0.604 175.317 174.600 0.188 0.000 1.135 157 S CA -0.418 57.844 58.200 0.102 0.000 1.020 157 S CB 1.386 64.633 63.200 0.079 0.000 1.159 157 S HN 0.497 nan 8.310 nan 0.000 0.534 158 I N -0.394 120.240 120.570 0.107 0.000 4.640 158 I HA 0.275 4.445 4.170 -0.000 0.000 0.246 158 I C 1.643 177.741 176.117 -0.031 0.000 0.683 158 I CA -0.765 60.475 61.300 -0.100 0.000 2.740 158 I CB -0.586 37.218 38.000 -0.327 0.000 1.472 158 I HN 0.379 nan 8.210 nan 0.000 0.518 159 R N 1.463 121.934 120.500 -0.048 0.000 2.320 159 R HA -0.359 3.981 4.340 -0.000 0.000 0.194 159 R C 1.368 177.607 176.300 -0.102 0.000 1.075 159 R CA 2.563 58.631 56.100 -0.053 0.000 0.442 159 R CB -1.052 29.224 30.300 -0.039 0.000 0.754 159 R HN 0.337 nan 8.270 nan 0.000 0.265 160 K N -1.976 118.306 120.400 -0.196 0.000 8.880 160 K HA -0.424 3.896 4.320 -0.000 0.000 0.492 160 K C 0.986 177.522 176.600 -0.106 0.000 0.399 160 K CA 2.595 58.747 56.287 -0.225 0.000 1.911 160 K CB -1.214 31.096 32.500 -0.317 0.000 0.814 160 K HN 0.637 nan 8.250 nan 0.000 1.000 161 N N -2.315 116.349 118.700 -0.060 0.000 2.629 161 N HA -0.247 4.493 4.740 -0.000 0.000 0.220 161 N C -0.487 175.012 175.510 -0.018 0.000 0.198 161 N CA 1.431 54.465 53.050 -0.027 0.000 4.104 161 N CB -1.087 37.385 38.487 -0.025 0.000 0.889 161 N HN 0.270 nan 8.380 nan 0.000 0.227 162 S N 1.982 117.669 115.700 -0.022 0.000 3.292 162 S HA -0.217 4.253 4.470 -0.000 0.000 0.360 162 S C -0.590 174.004 174.600 -0.011 0.000 0.930 162 S CA 1.697 59.888 58.200 -0.015 0.000 1.317 162 S CB -1.231 61.963 63.200 -0.011 0.000 0.920 162 S HN 0.635 nan 8.310 nan 0.000 0.540 163 E N 1.482 121.676 120.200 -0.010 0.000 5.927 163 E HA -0.265 4.085 4.350 -0.000 0.000 0.230 163 E C 0.167 176.763 176.600 -0.008 0.000 1.566 163 E CA 1.286 57.681 56.400 -0.008 0.000 1.286 163 E CB -1.790 27.907 29.700 -0.005 0.000 0.975 163 E HN 0.792 nan 8.360 nan 0.000 0.314 164 N N 0.895 119.591 118.700 -0.006 0.000 2.536 164 N HA -0.251 4.489 4.740 -0.000 0.000 0.241 164 N C -0.322 175.186 175.510 -0.003 0.000 1.254 164 N CA 2.106 55.154 53.050 -0.004 0.000 0.786 164 N CB -0.879 37.603 38.487 -0.008 0.000 1.197 164 N HN 0.754 nan 8.380 nan 0.000 0.579 165 T N -1.962 112.588 114.554 -0.006 0.000 2.738 165 T HA 0.296 4.646 4.350 -0.000 0.000 0.294 165 T C -1.500 173.207 174.700 0.012 0.000 0.914 165 T CA -1.693 60.401 62.100 -0.010 0.000 1.052 165 T CB 1.654 70.513 68.868 -0.014 0.000 0.897 165 T HN -0.126 nan 8.240 nan 0.000 0.522 166 P HA -0.272 nan 4.420 nan 0.000 0.228 166 P C 0.160 177.523 177.300 0.105 0.000 0.821 166 P CA 1.282 64.439 63.100 0.096 0.000 1.093 166 P CB -0.044 31.699 31.700 0.072 0.000 0.688 167 E N -3.304 117.014 120.200 0.197 0.000 7.468 167 E HA -0.157 4.193 4.350 -0.000 0.000 0.282 167 E C -1.280 175.501 176.600 0.302 0.000 0.816 167 E CA -0.373 56.175 56.400 0.247 0.000 1.479 167 E CB -1.077 28.692 29.700 0.114 0.000 0.915 167 E HN -0.082 nan 8.360 nan 0.000 0.264 168 F N 3.931 124.024 119.950 0.238 0.000 2.368 168 F HA 0.661 5.188 4.527 -0.000 0.000 0.315 168 F C 0.617 176.728 175.800 0.519 0.000 1.145 168 F CA 0.707 58.939 58.000 0.386 0.000 1.095 168 F CB 0.744 39.914 39.000 0.283 0.000 1.286 168 F HN 0.382 nan 8.300 nan 0.000 0.530 169 Y N -0.772 119.844 120.300 0.526 0.000 2.604 169 Y HA 0.458 5.008 4.550 -0.000 0.000 0.331 169 Y C -1.374 174.770 175.900 0.406 0.000 1.158 169 Y CA -2.272 56.096 58.100 0.446 0.000 1.056 169 Y CB 0.592 39.189 38.460 0.229 0.000 1.330 169 Y HN 0.485 nan 8.280 nan 0.000 0.457 170 F N 3.633 123.534 119.950 -0.081 0.000 2.572 170 F HA 0.208 4.735 4.527 -0.000 0.000 0.370 170 F C 0.940 176.318 175.800 -0.704 0.000 1.103 170 F CA 0.719 58.265 58.000 -0.756 0.000 1.286 170 F CB 1.185 39.927 39.000 -0.431 0.000 1.105 170 F HN 0.870 nan 8.300 nan 0.000 0.583 171 E N 2.253 121.487 120.200 -1.609 0.000 2.564 171 E HA 0.128 4.478 4.350 -0.000 0.000 0.203 171 E C -0.591 175.307 176.600 -1.171 0.000 0.867 171 E CA 0.849 56.562 56.400 -1.145 0.000 1.250 171 E CB 0.645 29.892 29.700 -0.756 0.000 1.215 171 E HN 0.656 nan 8.360 nan 0.000 0.566 172 S N -0.452 114.477 115.700 -1.284 0.000 2.636 172 S HA 0.576 5.046 4.470 -0.000 0.000 0.268 172 S C -0.689 173.755 174.600 -0.260 0.000 1.159 172 S CA -0.377 57.398 58.200 -0.708 0.000 0.815 172 S CB 1.602 64.565 63.200 -0.395 0.000 1.130 172 S HN 0.219 nan 8.310 nan 0.000 0.471 173 S N -0.282 115.469 115.700 0.085 0.000 2.685 173 S HA 0.893 5.363 4.470 -0.000 0.000 0.282 173 S C -1.464 173.228 174.600 0.153 0.000 1.159 173 S CA -0.857 57.485 58.200 0.237 0.000 0.833 173 S CB 1.017 64.397 63.200 0.299 0.000 1.151 173 S HN 0.862 nan 8.310 nan 0.000 0.485 174 I N 0.724 121.372 120.570 0.130 0.000 2.610 174 I HA 0.460 4.630 4.170 -0.000 0.000 0.289 174 I C -0.535 175.577 176.117 -0.008 0.000 1.163 174 I CA -0.567 60.763 61.300 0.050 0.000 1.044 174 I CB 2.174 40.210 38.000 0.059 0.000 1.251 174 I HN 0.481 nan 8.210 nan 0.000 0.424 175 R N 5.023 125.502 120.500 -0.035 0.000 2.490 175 R HA 0.466 4.806 4.340 -0.000 0.000 0.280 175 R C 0.356 176.545 176.300 -0.185 0.000 1.077 175 R CA -0.048 56.006 56.100 -0.076 0.000 1.065 175 R CB 0.825 31.096 30.300 -0.049 0.000 1.003 175 R HN 0.692 nan 8.270 nan 0.000 0.470 176 L N 0.264 121.323 121.223 -0.272 0.000 2.586 176 L HA 0.124 4.464 4.340 -0.000 0.000 0.204 176 L C 0.914 177.487 176.870 -0.495 0.000 1.053 176 L CA 0.231 54.696 54.840 -0.626 0.000 0.856 176 L CB -0.089 41.505 42.059 -0.775 0.000 1.192 176 L HN 0.585 nan 8.230 nan 0.000 0.484 177 S N -0.604 114.975 115.700 -0.202 0.000 2.652 177 S HA 0.290 4.760 4.470 -0.000 0.000 0.270 177 S C -0.578 174.007 174.600 -0.025 0.000 1.243 177 S CA -0.877 57.297 58.200 -0.043 0.000 0.999 177 S CB 1.182 64.389 63.200 0.011 0.000 0.973 177 S HN 0.062 nan 8.310 nan 0.000 0.544 178 D N 0.616 121.023 120.400 0.011 0.000 2.360 178 D HA 0.498 5.138 4.640 -0.000 0.000 0.242 178 D C 1.365 177.670 176.300 0.009 0.000 1.184 178 D CA 0.134 54.140 54.000 0.010 0.000 0.930 178 D CB 0.212 41.024 40.800 0.020 0.000 1.161 178 D HN 0.631 nan 8.370 nan 0.000 0.447 179 A N 1.090 123.915 122.820 0.008 0.000 1.851 179 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 179 A C 1.986 179.579 177.584 0.015 0.000 1.195 179 A CA 1.722 53.765 52.037 0.010 0.000 0.622 179 A CB -1.350 17.655 19.000 0.008 0.000 0.831 179 A HN 0.618 nan 8.150 nan 0.000 0.444 180 G N -0.674 108.133 108.800 0.013 0.000 3.302 180 G HA2 0.361 4.321 3.960 -0.000 0.000 0.220 180 G HA3 0.361 4.321 3.960 -0.000 0.000 0.220 180 G C 0.109 175.017 174.900 0.014 0.000 1.297 180 G CA 0.807 45.914 45.100 0.013 0.000 1.213 180 G HN 0.384 nan 8.290 nan 0.000 0.508 181 S N -0.873 114.839 115.700 0.019 0.000 2.533 181 S HA 0.534 5.004 4.470 -0.000 0.000 0.271 181 S C -0.668 173.954 174.600 0.036 0.000 1.143 181 S CA -0.898 57.313 58.200 0.018 0.000 0.891 181 S CB 1.359 64.566 63.200 0.011 0.000 1.105 181 S HN 0.392 nan 8.310 nan 0.000 0.468 182 K N 1.032 121.456 120.400 0.040 0.000 3.206 182 K HA 0.442 4.762 4.320 -0.000 0.000 0.180 182 K C -1.404 175.217 176.600 0.034 0.000 1.088 182 K CA -0.678 55.669 56.287 0.100 0.000 0.872 182 K CB -0.291 32.303 32.500 0.155 0.000 0.976 182 K HN 0.287 nan 8.250 nan 0.000 0.564 183 D N 0.717 121.092 120.400 -0.041 0.000 2.341 183 D HA 0.195 4.835 4.640 -0.000 0.000 0.245 183 D C -0.272 176.046 176.300 0.029 0.000 1.106 183 D CA -0.260 53.631 54.000 -0.182 0.000 0.905 183 D CB 0.492 41.227 40.800 -0.110 0.000 1.202 183 D HN 0.216 nan 8.370 nan 0.000 0.426 184 W N 0.281 121.540 121.300 -0.068 0.000 2.497 184 W HA 0.468 5.128 4.660 -0.000 0.000 0.359 184 W C -0.510 175.984 176.519 -0.042 0.000 1.131 184 W CA -1.305 55.990 57.345 -0.083 0.000 1.280 184 W CB 0.077 29.394 29.460 -0.238 0.000 1.319 184 W HN 0.001 nan 8.180 nan 0.000 0.626 185 V N 2.182 122.240 119.914 0.240 0.000 2.470 185 V HA 0.096 4.216 4.120 -0.000 0.000 0.276 185 V C 1.055 177.242 176.094 0.156 0.000 1.040 185 V CA 0.474 62.869 62.300 0.157 0.000 1.008 185 V CB 0.239 32.123 31.823 0.102 0.000 0.990 185 V HN 0.735 nan 8.190 nan 0.000 0.477 186 T N 0.317 114.938 114.554 0.111 0.000 2.985 186 T HA 0.251 4.601 4.350 -0.000 0.000 0.254 186 T C 0.432 174.912 174.700 -0.367 0.000 1.021 186 T CA 0.134 62.207 62.100 -0.045 0.000 0.957 186 T CB 0.089 68.933 68.868 -0.039 0.000 1.047 186 T HN 0.678 nan 8.240 nan 0.000 0.511 187 H N 0.059 119.168 119.070 0.066 0.000 2.954 187 H HA 0.562 5.118 4.556 -0.000 0.000 0.361 187 H C -1.381 173.961 175.328 0.024 0.000 1.122 187 H CA -0.865 55.205 56.048 0.038 0.000 1.217 187 H CB 2.107 31.889 29.762 0.033 0.000 1.776 187 H HN 0.155 nan 8.280 nan 0.000 0.533 188 I N 2.936 123.571 120.570 0.109 0.000 2.500 188 I HA 0.194 4.364 4.170 -0.000 0.000 0.286 188 I C -0.497 175.678 176.117 0.097 0.000 1.063 188 I CA -0.933 60.409 61.300 0.070 0.000 1.062 188 I CB 2.212 40.212 38.000 0.001 0.000 1.223 188 I HN 0.164 nan 8.210 nan 0.000 0.435 189 V N 3.638 123.625 119.914 0.122 0.000 2.384 189 V HA 0.412 4.532 4.120 -0.000 0.000 0.287 189 V C -0.941 175.312 176.094 0.265 0.000 1.020 189 V CA -0.555 61.847 62.300 0.169 0.000 0.850 189 V CB 1.783 33.681 31.823 0.124 0.000 0.987 189 V HN 0.664 nan 8.190 nan 0.000 0.436 190 W N 7.012 128.381 121.300 0.114 0.000 2.361 190 W HA 0.613 5.273 4.660 -0.000 0.000 0.314 190 W C -1.595 175.043 176.519 0.198 0.000 1.041 190 W CA -1.752 55.677 57.345 0.140 0.000 1.241 190 W CB 1.424 30.964 29.460 0.134 0.000 1.279 190 W HN 0.703 nan 8.180 nan 0.000 0.436 191 Y N 7.547 128.100 120.300 0.422 0.000 2.329 191 Y HA 0.301 4.851 4.550 -0.000 0.000 0.328 191 Y C 0.821 176.823 175.900 0.169 0.000 0.992 191 Y CA -0.381 57.840 58.100 0.202 0.000 1.151 191 Y CB 0.749 39.289 38.460 0.134 0.000 1.150 191 Y HN 0.681 nan 8.280 nan 0.000 0.450 192 E N 3.037 123.051 120.200 -0.311 0.000 3.242 192 E HA -0.397 3.953 4.350 -0.000 0.000 0.415 192 E C 0.181 176.758 176.600 -0.038 0.000 1.511 192 E CA 2.414 58.630 56.400 -0.306 0.000 1.206 192 E CB -1.026 28.359 29.700 -0.524 0.000 1.484 192 E HN 0.925 nan 8.360 nan 0.000 0.468 193 D N 0.527 120.907 120.400 -0.034 0.000 2.500 193 D HA 0.284 4.924 4.640 -0.000 0.000 0.217 193 D C -0.466 175.864 176.300 0.049 0.000 1.159 193 D CA 0.091 54.124 54.000 0.055 0.000 0.828 193 D CB 0.815 41.637 40.800 0.036 0.000 1.039 193 D HN 0.020 nan 8.370 nan 0.000 0.512 194 V N 1.236 121.166 119.914 0.026 0.000 2.686 194 V HA 0.491 4.611 4.120 -0.000 0.000 0.306 194 V C -1.412 174.725 176.094 0.072 0.000 1.065 194 V CA -0.964 61.321 62.300 -0.026 0.000 0.894 194 V CB 1.973 33.665 31.823 -0.219 0.000 1.004 194 V HN 0.229 nan 8.190 nan 0.000 0.424 195 L N 6.662 127.864 121.223 -0.035 0.000 2.346 195 L HA 0.871 5.211 4.340 -0.000 0.000 0.276 195 L C -1.005 175.849 176.870 -0.027 0.000 1.006 195 L CA -0.080 54.694 54.840 -0.110 0.000 0.817 195 L CB 2.022 43.833 42.059 -0.413 0.000 1.272 195 L HN 0.416 nan 8.230 nan 0.000 0.421 196 V N 4.353 124.277 119.914 0.017 0.000 2.588 196 V HA 0.966 5.086 4.120 -0.000 0.000 0.304 196 V C -0.229 175.898 176.094 0.055 0.000 1.042 196 V CA -0.093 62.232 62.300 0.043 0.000 0.877 196 V CB 1.291 33.138 31.823 0.041 0.000 0.996 196 V HN 1.050 nan 8.190 nan 0.000 0.425 197 A N 3.351 126.225 122.820 0.090 0.000 2.527 197 A HA 1.062 5.382 4.320 -0.000 0.000 0.293 197 A C -0.626 177.063 177.584 0.175 0.000 1.117 197 A CA -0.211 51.895 52.037 0.114 0.000 0.723 197 A CB 2.090 21.132 19.000 0.070 0.000 1.313 197 A HN 1.565 nan 8.150 nan 0.000 0.411 198 A N 0.269 123.205 122.820 0.194 0.000 2.469 198 A HA 0.843 5.163 4.320 -0.000 0.000 0.299 198 A C -1.048 176.669 177.584 0.222 0.000 1.098 198 A CA -0.490 51.670 52.037 0.205 0.000 0.737 198 A CB 0.988 20.076 19.000 0.148 0.000 1.312 198 A HN 0.884 nan 8.150 nan 0.000 0.414 199 L N 0.308 121.647 121.223 0.192 0.000 2.303 199 L HA 0.392 4.732 4.340 -0.000 0.000 0.266 199 L C 1.364 178.273 176.870 0.065 0.000 1.011 199 L CA -0.835 54.089 54.840 0.140 0.000 0.818 199 L CB 1.914 44.067 42.059 0.158 0.000 1.326 199 L HN 0.827 nan 8.230 nan 0.000 0.435 200 S N 0.891 116.575 115.700 -0.026 0.000 2.392 200 S HA -0.204 4.266 4.470 -0.000 0.000 0.232 200 S C 1.252 175.784 174.600 -0.113 0.000 1.041 200 S CA 2.152 60.261 58.200 -0.151 0.000 1.026 200 S CB -0.524 62.430 63.200 -0.411 0.000 0.845 200 S HN 0.858 nan 8.310 nan 0.000 0.465 201 N N 1.374 120.028 118.700 -0.078 0.000 2.434 201 N HA -0.001 4.739 4.740 -0.000 0.000 0.196 201 N C -0.156 175.325 175.510 -0.048 0.000 1.183 201 N CA 0.240 53.250 53.050 -0.066 0.000 0.849 201 N CB -0.879 37.576 38.487 -0.054 0.000 0.992 201 N HN 0.262 nan 8.380 nan 0.000 0.460 202 N N -0.911 117.774 118.700 -0.025 0.000 2.753 202 N HA -0.185 4.555 4.740 -0.000 0.000 0.251 202 N C -0.910 174.557 175.510 -0.072 0.000 1.097 202 N CA 1.157 54.185 53.050 -0.036 0.000 0.786 202 N CB -2.022 36.430 38.487 -0.059 0.000 1.137 202 N HN 0.710 nan 8.380 nan 0.000 0.566 203 S N -0.561 115.106 115.700 -0.055 0.000 2.580 203 S HA 0.561 5.031 4.470 -0.000 0.000 0.274 203 S C 0.401 174.905 174.600 -0.160 0.000 1.329 203 S CA -0.539 57.575 58.200 -0.143 0.000 1.036 203 S CB 2.431 65.561 63.200 -0.116 0.000 0.919 203 S HN 0.098 nan 8.310 nan 0.000 0.515 204 V N 2.678 122.378 119.914 -0.355 0.000 2.680 204 V HA 0.630 4.750 4.120 -0.000 0.000 0.309 204 V C -0.915 174.885 176.094 -0.490 0.000 1.052 204 V CA -0.773 61.375 62.300 -0.254 0.000 0.908 204 V CB 1.101 32.824 31.823 -0.167 0.000 1.001 204 V HN 0.891 nan 8.190 nan 0.000 0.431 205 F N 1.539 121.467 119.950 -0.037 0.000 2.561 205 F HA 0.818 5.345 4.527 -0.000 0.000 0.321 205 F C 0.372 176.156 175.800 -0.025 0.000 1.065 205 F CA -0.433 57.551 58.000 -0.027 0.000 0.934 205 F CB 2.429 41.422 39.000 -0.011 0.000 1.215 205 F HN 0.575 nan 8.300 nan 0.000 0.471 206 S N 3.427 119.232 115.700 0.175 0.000 2.556 206 S HA 0.915 5.385 4.470 -0.000 0.000 0.271 206 S C -1.058 173.602 174.600 0.100 0.000 1.135 206 S CA -0.839 57.421 58.200 0.100 0.000 0.858 206 S CB 2.281 65.514 63.200 0.055 0.000 1.114 206 S HN 0.743 nan 8.310 nan 0.000 0.468 207 M N 0.157 119.785 119.600 0.046 0.000 2.843 207 M HA 0.576 5.056 4.480 -0.000 0.000 0.273 207 M C -1.614 174.679 176.300 -0.013 0.000 1.286 207 M CA -0.499 54.814 55.300 0.023 0.000 0.807 207 M CB 1.064 33.666 32.600 0.003 0.000 1.684 207 M HN 0.515 nan 8.290 nan 0.000 0.458 208 T N 1.820 116.360 114.554 -0.023 0.000 2.801 208 T HA 0.551 4.901 4.350 -0.000 0.000 0.306 208 T C -0.422 174.247 174.700 -0.052 0.000 1.020 208 T CA -0.369 61.711 62.100 -0.032 0.000 0.948 208 T CB 0.653 69.504 68.868 -0.028 0.000 0.962 208 T HN 0.429 nan 8.240 nan 0.000 0.465 209 V N 3.551 123.424 119.914 -0.069 0.000 2.406 209 V HA 0.608 4.728 4.120 -0.000 0.000 0.272 209 V C 0.612 176.721 176.094 0.026 0.000 1.043 209 V CA 0.191 62.430 62.300 -0.102 0.000 0.915 209 V CB 1.132 32.800 31.823 -0.259 0.000 0.988 209 V HN 0.978 nan 8.190 nan 0.000 0.466 210 S N 4.517 120.227 115.700 0.017 0.000 4.703 210 S HA 0.311 4.781 4.470 -0.000 0.000 0.171 210 S C 1.254 175.884 174.600 0.050 0.000 1.296 210 S CA 0.598 58.833 58.200 0.058 0.000 1.062 210 S CB -0.064 63.166 63.200 0.049 0.000 2.076 210 S HN 0.886 nan 8.310 nan 0.000 0.699 211 A N 2.248 125.118 122.820 0.084 0.000 2.150 211 A HA 0.355 4.675 4.320 -0.000 0.000 0.220 211 A C 1.598 179.190 177.584 0.013 0.000 1.356 211 A CA 1.444 53.529 52.037 0.081 0.000 1.145 211 A CB -1.719 17.387 19.000 0.177 0.000 0.826 211 A HN 1.620 nan 8.150 nan 0.000 0.524 212 S N -0.663 115.026 115.700 -0.018 0.000 2.809 212 S HA -0.436 4.034 4.470 -0.000 0.000 0.362 212 S C 1.891 176.428 174.600 -0.105 0.000 1.564 212 S CA 2.354 60.504 58.200 -0.084 0.000 1.116 212 S CB -1.868 61.272 63.200 -0.100 0.000 0.900 212 S HN 1.279 nan 8.310 nan 0.000 0.480 213 S N 1.708 117.332 115.700 -0.127 0.000 2.420 213 S HA -0.147 4.323 4.470 -0.000 0.000 0.237 213 S C 0.610 175.084 174.600 -0.209 0.000 1.023 213 S CA 1.030 59.121 58.200 -0.182 0.000 0.991 213 S CB -0.769 62.291 63.200 -0.234 0.000 0.792 213 S HN 0.868 nan 8.310 nan 0.000 0.488 214 H N 1.711 120.742 119.070 -0.065 0.000 2.934 214 H HA 0.252 4.808 4.556 -0.000 0.000 0.273 214 H C -0.129 175.146 175.328 -0.088 0.000 1.121 214 H CA -0.417 55.593 56.048 -0.063 0.000 1.451 214 H CB 0.369 30.100 29.762 -0.051 0.000 1.469 214 H HN 0.291 nan 8.280 nan 0.000 0.476 215 Q N 5.440 125.257 119.800 0.029 0.000 2.371 215 Q HA 0.060 4.400 4.340 -0.000 0.000 0.254 215 Q C -2.005 173.982 176.000 -0.022 0.000 1.264 215 Q CA -1.109 54.679 55.803 -0.026 0.000 0.904 215 Q CB -0.115 28.611 28.738 -0.020 0.000 1.507 215 Q HN 0.499 nan 8.270 nan 0.000 0.495 216 P HA -0.036 nan 4.420 nan 0.000 0.266 216 P C -0.620 176.659 177.300 -0.035 0.000 1.215 216 P CA -0.069 62.997 63.100 -0.056 0.000 0.763 216 P CB 0.629 32.259 31.700 -0.117 0.000 0.806 217 V N 3.802 123.702 119.914 -0.023 0.000 2.521 217 V HA 0.109 4.229 4.120 -0.000 0.000 0.286 217 V C 1.208 177.311 176.094 0.014 0.000 1.034 217 V CA 0.232 62.529 62.300 -0.005 0.000 1.045 217 V CB 0.301 32.118 31.823 -0.010 0.000 0.974 217 V HN 0.776 nan 8.190 nan 0.000 0.480 218 S N 6.754 122.476 115.700 0.038 0.000 2.608 218 S HA 0.814 5.284 4.470 -0.000 0.000 0.291 218 S C -0.482 174.209 174.600 0.151 0.000 1.146 218 S CA -1.030 57.222 58.200 0.087 0.000 1.043 218 S CB 1.652 64.891 63.200 0.064 0.000 1.037 218 S HN 0.818 nan 8.310 nan 0.000 0.520 219 R N 1.978 122.605 120.500 0.213 0.000 2.538 219 R HA 0.435 4.775 4.340 -0.000 0.000 0.292 219 R C -1.031 175.376 176.300 0.178 0.000 1.008 219 R CA -0.801 55.426 56.100 0.213 0.000 0.896 219 R CB 1.330 31.767 30.300 0.228 0.000 1.187 219 R HN 0.701 nan 8.270 nan 0.000 0.440 220 M N 4.716 124.352 119.600 0.060 0.000 2.188 220 M HA 0.167 4.647 4.480 -0.000 0.000 0.354 220 M C 0.771 176.895 176.300 -0.293 0.000 1.342 220 M CA 0.047 55.130 55.300 -0.361 0.000 1.117 220 M CB 0.639 32.977 32.600 -0.437 0.000 1.670 220 M HN 0.880 nan 8.290 nan 0.000 0.466 221 I N 1.034 121.377 120.570 -0.378 0.000 4.018 221 I HA 0.325 4.495 4.170 -0.000 0.000 0.337 221 I C -0.008 175.899 176.117 -0.350 0.000 1.327 221 I CA -0.156 60.912 61.300 -0.386 0.000 1.100 221 I CB 0.317 38.100 38.000 -0.361 0.000 1.025 221 I HN 0.665 nan 8.210 nan 0.000 0.396 222 Q N 1.626 121.211 119.800 -0.358 0.000 2.327 222 Q HA 0.336 4.676 4.340 -0.000 0.000 0.265 222 Q C -1.258 174.562 176.000 -0.300 0.000 0.993 222 Q CA -0.726 54.895 55.803 -0.304 0.000 0.885 222 Q CB 1.875 30.446 28.738 -0.278 0.000 1.379 222 Q HN 0.202 nan 8.270 nan 0.000 0.408 223 N N 0.736 119.294 118.700 -0.236 0.000 2.344 223 N HA 0.154 4.894 4.740 -0.000 0.000 0.236 223 N C -0.402 175.003 175.510 -0.174 0.000 1.279 223 N CA 0.555 53.491 53.050 -0.191 0.000 0.882 223 N CB 0.508 38.903 38.487 -0.152 0.000 1.110 223 N HN 0.660 nan 8.380 nan 0.000 0.436 224 A N 0.372 123.115 122.820 -0.129 0.000 2.462 224 A HA 0.377 4.697 4.320 -0.000 0.000 0.243 224 A C 0.478 178.000 177.584 -0.104 0.000 1.076 224 A CA 0.232 52.210 52.037 -0.099 0.000 0.773 224 A CB 0.174 19.136 19.000 -0.062 0.000 1.010 224 A HN 0.482 nan 8.150 nan 0.000 0.493 225 S N -0.696 114.944 115.700 -0.100 0.000 2.579 225 S HA 0.441 4.911 4.470 -0.000 0.000 0.272 225 S C 1.048 175.598 174.600 -0.083 0.000 1.141 225 S CA -0.310 57.829 58.200 -0.102 0.000 0.843 225 S CB 1.196 64.317 63.200 -0.132 0.000 1.122 225 S HN 0.884 nan 8.310 nan 0.000 0.468 226 R N 1.822 122.277 120.500 -0.075 0.000 2.236 226 R HA 0.136 4.476 4.340 -0.000 0.000 0.208 226 R C -0.285 175.982 176.300 -0.055 0.000 1.036 226 R CA 0.273 56.336 56.100 -0.062 0.000 1.001 226 R CB -0.162 30.106 30.300 -0.054 0.000 0.896 226 R HN 0.394 nan 8.270 nan 0.000 0.464 227 R N 2.889 123.352 120.500 -0.062 0.000 2.357 227 R HA 0.099 4.439 4.340 -0.000 0.000 0.330 227 R C -0.206 176.072 176.300 -0.036 0.000 1.102 227 R CA -0.055 56.018 56.100 -0.044 0.000 0.974 227 R CB 0.481 30.749 30.300 -0.053 0.000 1.002 227 R HN 0.053 nan 8.270 nan 0.000 0.463 228 K N 3.915 124.301 120.400 -0.023 0.000 2.447 228 K HA 0.081 4.401 4.320 -0.000 0.000 0.281 228 K C 0.256 176.853 176.600 -0.005 0.000 1.031 228 K CA -0.053 56.229 56.287 -0.009 0.000 1.019 228 K CB 0.431 32.931 32.500 -0.001 0.000 0.918 228 K HN 0.503 nan 8.250 nan 0.000 0.476 229 I N 4.492 125.062 120.570 0.000 0.000 2.436 229 I HA -0.078 4.092 4.170 -0.000 0.000 0.289 229 I C 1.643 177.751 176.117 -0.015 0.000 1.083 229 I CA -0.026 61.237 61.300 -0.061 0.000 1.372 229 I CB 0.892 38.778 38.000 -0.189 0.000 1.408 229 I HN 0.656 nan 8.210 nan 0.000 0.516 230 T N 3.678 118.201 114.554 -0.050 0.000 2.698 230 T HA -0.090 4.260 4.350 -0.000 0.000 0.260 230 T C 0.330 175.041 174.700 0.018 0.000 1.044 230 T CA 1.098 63.183 62.100 -0.026 0.000 1.149 230 T CB -0.063 68.742 68.868 -0.106 0.000 0.864 230 T HN 0.654 nan 8.240 nan 0.000 0.419 231 D N -0.714 119.648 120.400 -0.063 0.000 2.837 231 D HA 0.490 5.130 4.640 -0.000 0.000 0.220 231 D C -2.057 174.182 176.300 -0.103 0.000 1.236 231 D CA -0.680 53.308 54.000 -0.021 0.000 0.838 231 D CB 1.506 42.320 40.800 0.023 0.000 1.647 231 D HN 0.015 nan 8.370 nan 0.000 0.486 232 L N 2.525 123.700 121.223 -0.079 0.000 2.409 232 L HA 0.704 5.044 4.340 -0.000 0.000 0.272 232 L C -1.261 175.602 176.870 -0.012 0.000 0.980 232 L CA -0.092 54.690 54.840 -0.096 0.000 0.826 232 L CB 1.421 43.357 42.059 -0.206 0.000 1.268 232 L HN 0.501 nan 8.230 nan 0.000 0.407 233 K N 3.936 124.322 120.400 -0.023 0.000 2.318 233 K HA 0.703 5.023 4.320 -0.000 0.000 0.265 233 K C -1.746 174.825 176.600 -0.049 0.000 1.055 233 K CA -0.748 55.529 56.287 -0.017 0.000 0.896 233 K CB 2.400 34.892 32.500 -0.014 0.000 1.479 233 K HN 0.648 nan 8.250 nan 0.000 0.449 234 I N 0.951 121.462 120.570 -0.099 0.000 2.586 234 I HA 0.374 4.544 4.170 -0.000 0.000 0.288 234 I C -1.848 174.052 176.117 -0.362 0.000 1.147 234 I CA -0.759 60.441 61.300 -0.167 0.000 1.047 234 I CB 1.558 39.497 38.000 -0.102 0.000 1.244 234 I HN 0.213 nan 8.210 nan 0.000 0.429 235 V N 6.509 126.271 119.914 -0.253 0.000 2.407 235 V HA 0.276 4.396 4.120 -0.000 0.000 0.291 235 V C -0.953 175.074 176.094 -0.112 0.000 1.018 235 V CA -0.476 61.677 62.300 -0.245 0.000 0.842 235 V CB 1.503 33.260 31.823 -0.110 0.000 0.996 235 V HN 0.982 nan 8.190 nan 0.000 0.426 236 D N 5.374 125.726 120.400 -0.080 0.000 3.025 236 D HA -0.301 4.339 4.640 -0.000 0.000 0.201 236 D C -0.105 176.463 176.300 0.447 0.000 1.267 236 D CA 0.741 54.924 54.000 0.305 0.000 0.736 236 D CB -1.367 39.523 40.800 0.149 0.000 0.883 236 D HN 0.697 nan 8.370 nan 0.000 0.388 237 Y N -2.703 117.725 120.300 0.213 0.000 4.272 237 Y HA -0.283 4.267 4.550 -0.000 0.000 0.232 237 Y C 0.247 176.196 175.900 0.082 0.000 1.149 237 Y CA 0.765 58.972 58.100 0.179 0.000 1.961 237 Y CB -2.308 36.256 38.460 0.173 0.000 1.611 237 Y HN 0.584 nan 8.280 nan 0.000 0.682 238 K N -0.242 120.252 120.400 0.158 0.000 2.507 238 K HA 0.700 5.020 4.320 -0.000 0.000 0.252 238 K C -0.538 176.065 176.600 0.005 0.000 0.943 238 K CA -0.900 55.426 56.287 0.065 0.000 0.808 238 K CB 2.767 35.293 32.500 0.043 0.000 1.142 238 K HN -0.119 nan 8.250 nan 0.000 0.426 239 V N 3.582 123.493 119.914 -0.006 0.000 2.461 239 V HA 0.237 4.357 4.120 -0.000 0.000 0.275 239 V C -0.266 175.809 176.094 -0.032 0.000 1.047 239 V CA -0.672 61.611 62.300 -0.029 0.000 0.955 239 V CB 1.403 33.202 31.823 -0.040 0.000 0.988 239 V HN 0.449 nan 8.190 nan 0.000 0.471 240 V N 6.983 126.873 119.914 -0.039 0.000 2.409 240 V HA 0.495 4.615 4.120 -0.000 0.000 0.291 240 V C -0.226 175.839 176.094 -0.049 0.000 1.020 240 V CA -0.487 61.791 62.300 -0.036 0.000 0.848 240 V CB 1.479 33.281 31.823 -0.036 0.000 0.990 240 V HN 0.636 nan 8.190 nan 0.000 0.430 241 L N 4.337 125.536 121.223 -0.040 0.000 2.331 241 L HA 0.803 5.143 4.340 -0.000 0.000 0.275 241 L C 0.455 177.268 176.870 -0.094 0.000 1.022 241 L CA -0.495 54.307 54.840 -0.062 0.000 0.812 241 L CB 2.084 44.137 42.059 -0.011 0.000 1.257 241 L HN 0.700 nan 8.230 nan 0.000 0.435 242 T N -2.136 112.340 114.554 -0.130 0.000 2.952 242 T HA 0.667 5.017 4.350 -0.000 0.000 0.286 242 T C -0.248 174.365 174.700 -0.145 0.000 1.024 242 T CA -0.586 61.398 62.100 -0.193 0.000 1.029 242 T CB 2.048 70.756 68.868 -0.267 0.000 1.094 242 T HN 0.605 nan 8.240 nan 0.000 0.515 243 C N 0.460 119.663 119.300 -0.161 0.000 3.327 243 C HA 0.722 5.182 4.460 -0.000 0.000 0.366 243 C C -2.483 172.454 174.990 -0.087 0.000 2.438 243 C CA -1.587 57.388 59.018 -0.071 0.000 1.438 243 C CB 1.522 29.280 27.740 0.031 0.000 2.876 243 C HN 0.731 nan 8.230 nan 0.000 0.483 244 P HA 0.296 nan 4.420 nan 0.000 0.277 244 P C 0.262 177.589 177.300 0.045 0.000 1.354 244 P CA 1.335 64.434 63.100 -0.002 0.000 0.891 244 P CB -0.073 31.641 31.700 0.024 0.000 1.058 245 G N 1.480 110.242 108.800 -0.063 0.000 2.179 245 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 245 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 245 G C -0.298 174.393 174.900 -0.349 0.000 0.977 245 G CA -0.210 44.797 45.100 -0.154 0.000 0.641 245 G HN 0.428 nan 8.290 nan 0.000 0.533 246 Y N -1.258 118.902 120.300 -0.234 0.000 2.576 246 Y HA 0.632 5.182 4.550 -0.000 0.000 0.346 246 Y C 0.127 175.748 175.900 -0.464 0.000 1.018 246 Y CA -1.050 56.841 58.100 -0.349 0.000 1.050 246 Y CB 2.474 40.674 38.460 -0.433 0.000 1.280 246 Y HN 0.239 nan 8.280 nan 0.000 0.474 247 V N 2.061 121.783 119.914 -0.321 0.000 2.531 247 V HA 0.439 4.559 4.120 -0.000 0.000 0.301 247 V C -0.825 175.048 176.094 -0.368 0.000 1.034 247 V CA -0.929 61.186 62.300 -0.308 0.000 0.865 247 V CB 1.293 33.021 31.823 -0.158 0.000 0.995 247 V HN 0.713 nan 8.190 nan 0.000 0.424 248 H N 3.506 122.558 119.070 -0.029 0.000 2.492 248 H HA 0.596 5.152 4.556 -0.000 0.000 0.345 248 H C -0.387 174.908 175.328 -0.055 0.000 1.136 248 H CA -0.833 55.190 56.048 -0.043 0.000 1.202 248 H CB 2.648 32.364 29.762 -0.078 0.000 1.524 248 H HN 0.785 nan 8.280 nan 0.000 0.506 249 K N 2.385 122.826 120.400 0.068 0.000 2.259 249 K HA 0.629 4.949 4.320 -0.000 0.000 0.252 249 K C -1.230 175.366 176.600 -0.008 0.000 0.936 249 K CA -0.636 55.659 56.287 0.014 0.000 0.810 249 K CB 1.378 33.877 32.500 -0.001 0.000 1.143 249 K HN 0.447 nan 8.250 nan 0.000 0.427 250 I N 2.534 123.087 120.570 -0.028 0.000 2.439 250 I HA 0.144 4.314 4.170 -0.000 0.000 0.285 250 I C -0.963 175.139 176.117 -0.024 0.000 1.021 250 I CA -0.923 60.342 61.300 -0.058 0.000 1.091 250 I CB 1.864 39.794 38.000 -0.117 0.000 1.242 250 I HN 0.711 nan 8.210 nan 0.000 0.439 251 D N 6.313 126.712 120.400 -0.001 0.000 2.344 251 D HA 0.212 4.852 4.640 -0.000 0.000 0.253 251 D C 0.945 177.302 176.300 0.095 0.000 1.255 251 D CA 0.122 54.156 54.000 0.056 0.000 0.894 251 D CB 1.196 42.033 40.800 0.062 0.000 1.067 251 D HN 0.412 nan 8.370 nan 0.000 0.492 252 L N 3.653 124.956 121.223 0.133 0.000 2.056 252 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 252 L C 2.460 179.494 176.870 0.274 0.000 1.078 252 L CA 0.783 55.755 54.840 0.220 0.000 0.749 252 L CB -0.327 41.838 42.059 0.176 0.000 0.901 252 L HN 0.400 nan 8.230 nan 0.000 0.433 253 K N 0.581 121.122 120.400 0.235 0.000 2.189 253 K HA -0.261 4.059 4.320 -0.000 0.000 0.207 253 K C 1.355 178.042 176.600 0.144 0.000 1.046 253 K CA 2.014 58.417 56.287 0.192 0.000 0.928 253 K CB -0.068 32.523 32.500 0.151 0.000 0.720 253 K HN 0.563 nan 8.250 nan 0.000 0.458 254 N N -2.704 116.093 118.700 0.162 0.000 2.036 254 N HA -0.110 4.630 4.740 -0.000 0.000 0.228 254 N C -0.988 174.656 175.510 0.224 0.000 1.368 254 N CA -0.249 52.882 53.050 0.135 0.000 0.846 254 N CB 0.369 38.908 38.487 0.086 0.000 1.145 254 N HN 0.042 nan 8.380 nan 0.000 0.502 255 Y N 1.678 121.988 120.300 0.016 0.000 2.861 255 Y HA -0.176 4.374 4.550 -0.000 0.000 0.091 255 Y C -0.708 175.187 175.900 -0.008 0.000 1.957 255 Y CA 0.440 58.540 58.100 -0.000 0.000 1.092 255 Y CB -1.650 36.807 38.460 -0.005 0.000 1.742 255 Y HN 0.455 nan 8.280 nan 0.000 0.314 256 S N 1.570 117.285 115.700 0.025 0.000 2.570 256 S HA 0.794 5.264 4.470 -0.000 0.000 0.286 256 S C -0.830 173.748 174.600 -0.036 0.000 1.143 256 S CA -1.027 57.171 58.200 -0.003 0.000 0.921 256 S CB 1.029 64.245 63.200 0.026 0.000 1.108 256 S HN 0.427 nan 8.310 nan 0.000 0.456 257 I N 2.598 123.136 120.570 -0.053 0.000 2.392 257 I HA 0.679 4.849 4.170 -0.000 0.000 0.295 257 I C -0.002 176.102 176.117 -0.022 0.000 0.985 257 I CA -0.466 60.800 61.300 -0.056 0.000 1.221 257 I CB 1.949 39.889 38.000 -0.100 0.000 1.366 257 I HN 0.802 nan 8.210 nan 0.000 0.467 258 S N 3.316 119.016 115.700 0.001 0.000 2.619 258 S HA 0.814 5.284 4.470 -0.000 0.000 0.280 258 S C -0.654 173.980 174.600 0.056 0.000 1.150 258 S CA -0.810 57.400 58.200 0.016 0.000 0.978 258 S CB 1.541 64.734 63.200 -0.010 0.000 1.041 258 S HN 0.671 nan 8.310 nan 0.000 0.485 259 S N 2.111 117.867 115.700 0.092 0.000 2.549 259 S HA 0.838 5.308 4.470 -0.000 0.000 0.280 259 S C -1.263 173.393 174.600 0.094 0.000 1.109 259 S CA -0.870 57.410 58.200 0.133 0.000 0.905 259 S CB 1.613 65.073 63.200 0.434 0.000 1.081 259 S HN 0.893 nan 8.310 nan 0.000 0.477 260 L N 1.272 122.514 121.223 0.031 0.000 2.401 260 L HA 0.636 4.976 4.340 -0.000 0.000 0.266 260 L C -0.414 176.396 176.870 -0.100 0.000 0.991 260 L CA -0.516 54.319 54.840 -0.009 0.000 0.818 260 L CB 1.762 43.801 42.059 -0.033 0.000 1.321 260 L HN 0.836 nan 8.230 nan 0.000 0.413 261 K N 1.519 121.791 120.400 -0.212 0.000 2.188 261 K HA 0.326 4.646 4.320 -0.000 0.000 0.246 261 K C 0.029 176.479 176.600 -0.250 0.000 1.026 261 K CA 0.601 56.608 56.287 -0.466 0.000 0.871 261 K CB 0.460 32.714 32.500 -0.411 0.000 1.042 261 K HN 0.777 nan 8.250 nan 0.000 0.509 262 T N -0.743 113.677 114.554 -0.224 0.000 3.009 262 T HA 0.160 4.510 4.350 -0.000 0.000 0.267 262 T C 1.087 175.833 174.700 0.076 0.000 0.942 262 T CA 0.191 62.297 62.100 0.010 0.000 0.883 262 T CB 0.714 69.582 68.868 0.001 0.000 1.192 262 T HN 0.888 nan 8.240 nan 0.000 0.524 263 G N 1.803 110.580 108.800 -0.038 0.000 3.163 263 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.227 263 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.227 263 G C 1.469 176.389 174.900 0.033 0.000 1.300 263 G CA 1.420 46.514 45.100 -0.010 0.000 0.867 263 G HN 0.583 nan 8.290 nan 0.000 0.533 264 S N 0.082 115.855 115.700 0.123 0.000 2.387 264 S HA -0.115 4.355 4.470 -0.000 0.000 0.230 264 S C 2.027 176.695 174.600 0.112 0.000 1.035 264 S CA 1.935 60.223 58.200 0.147 0.000 1.014 264 S CB -0.271 63.108 63.200 0.298 0.000 0.836 264 S HN 2.053 nan 8.310 nan 0.000 0.466 265 L N 0.279 121.554 121.223 0.087 0.000 5.075 265 L HA -0.237 4.103 4.340 -0.000 0.000 0.446 265 L C 0.113 177.005 176.870 0.036 0.000 1.069 265 L CA 2.172 57.028 54.840 0.026 0.000 0.993 265 L CB -2.020 40.041 42.059 0.003 0.000 1.846 265 L HN 0.682 nan 8.230 nan 0.000 0.798 266 E N 1.659 121.912 120.200 0.090 0.000 2.115 266 E HA 0.250 4.600 4.350 -0.000 0.000 0.282 266 E C 0.486 177.178 176.600 0.153 0.000 0.987 266 E CA -0.309 56.133 56.400 0.069 0.000 0.797 266 E CB 0.462 30.183 29.700 0.035 0.000 1.086 266 E HN 0.472 nan 8.360 nan 0.000 0.397 267 N N 4.370 123.088 118.700 0.029 0.000 2.167 267 N HA -0.132 4.608 4.740 -0.000 0.000 0.258 267 N C -0.743 174.800 175.510 0.054 0.000 1.241 267 N CA 0.699 53.722 53.050 -0.045 0.000 0.829 267 N CB 0.040 38.477 38.487 -0.084 0.000 1.072 267 N HN 0.411 nan 8.380 nan 0.000 0.466 268 F N -2.318 117.503 119.950 -0.216 0.000 2.688 268 F HA 0.426 4.953 4.527 -0.000 0.000 0.308 268 F C -1.166 174.515 175.800 -0.197 0.000 1.117 268 F CA -1.398 56.427 58.000 -0.292 0.000 0.976 268 F CB 0.484 39.390 39.000 -0.158 0.000 1.291 268 F HN 0.382 nan 8.300 nan 0.000 0.439 269 H N 2.474 121.636 119.070 0.153 0.000 2.547 269 H HA 0.595 5.151 4.556 -0.000 0.000 0.362 269 H C -0.215 175.137 175.328 0.039 0.000 1.181 269 H CA -1.008 55.070 56.048 0.051 0.000 1.376 269 H CB 0.999 30.786 29.762 0.041 0.000 1.488 269 H HN 0.929 nan 8.280 nan 0.000 0.583 270 I N 0.388 121.042 120.570 0.139 0.000 2.377 270 I HA 0.454 4.624 4.170 -0.000 0.000 0.293 270 I C -1.171 174.977 176.117 0.052 0.000 0.987 270 I CA -0.554 60.785 61.300 0.065 0.000 1.185 270 I CB 0.601 38.609 38.000 0.013 0.000 1.341 270 I HN 0.482 nan 8.210 nan 0.000 0.455 271 I N 8.889 129.478 120.570 0.032 0.000 2.390 271 I HA 0.431 4.601 4.170 -0.000 0.000 0.283 271 I C -2.238 173.885 176.117 0.010 0.000 1.016 271 I CA -2.015 59.297 61.300 0.019 0.000 1.151 271 I CB 1.402 39.407 38.000 0.009 0.000 1.293 271 I HN 0.449 nan 8.210 nan 0.000 0.458 272 P HA 0.129 nan 4.420 nan 0.000 0.271 272 P C -0.646 176.656 177.300 0.004 0.000 1.220 272 P CA -0.092 63.001 63.100 -0.012 0.000 0.768 272 P CB 0.945 32.619 31.700 -0.044 0.000 0.848 273 L N 4.216 125.453 121.223 0.022 0.000 2.353 273 L HA 0.241 4.581 4.340 -0.000 0.000 0.269 273 L C 1.430 178.358 176.870 0.096 0.000 1.085 273 L CA -0.320 54.575 54.840 0.090 0.000 0.938 273 L CB -0.294 41.809 42.059 0.072 0.000 1.312 273 L HN 0.252 nan 8.230 nan 0.000 0.429 274 N N 0.140 118.809 118.700 -0.051 0.000 2.459 274 N HA -0.088 4.652 4.740 -0.000 0.000 0.181 274 N C 0.895 176.203 175.510 -0.336 0.000 1.046 274 N CA 0.877 53.785 53.050 -0.237 0.000 0.904 274 N CB 0.157 38.422 38.487 -0.370 0.000 0.964 274 N HN 0.525 nan 8.380 nan 0.000 0.444 275 H N 0.466 119.475 119.070 -0.102 0.000 2.660 275 H HA 0.202 4.758 4.556 -0.000 0.000 0.310 275 H C 0.609 175.886 175.328 -0.085 0.000 1.080 275 H CA 0.043 55.921 56.048 -0.282 0.000 1.145 275 H CB 0.509 29.770 29.762 -0.836 0.000 1.432 275 H HN 0.156 nan 8.280 nan 0.000 0.542 276 E N 0.529 120.794 120.200 0.108 0.000 2.364 276 E HA -0.018 4.332 4.350 -0.000 0.000 0.196 276 E C 0.620 177.274 176.600 0.090 0.000 0.990 276 E CA -0.152 56.334 56.400 0.143 0.000 0.886 276 E CB 0.451 30.239 29.700 0.146 0.000 0.866 276 E HN 0.170 nan 8.360 nan 0.000 0.493 277 K N 1.131 121.568 120.400 0.062 0.000 3.490 277 K HA -0.209 4.111 4.320 -0.000 0.000 0.273 277 K C -0.011 176.619 176.600 0.050 0.000 0.916 277 K CA 0.752 57.067 56.287 0.048 0.000 0.718 277 K CB -0.658 31.869 32.500 0.046 0.000 1.477 277 K HN -0.028 nan 8.250 nan 0.000 0.452 278 E N -0.884 119.346 120.200 0.050 0.000 2.448 278 E HA -0.009 4.341 4.350 -0.000 0.000 0.124 278 E C -1.005 175.623 176.600 0.048 0.000 0.823 278 E CA 0.508 56.940 56.400 0.053 0.000 1.382 278 E CB -0.041 29.700 29.700 0.068 0.000 1.148 278 E HN 0.232 nan 8.360 nan 0.000 0.513 279 S N 1.275 116.997 115.700 0.038 0.000 3.292 279 S HA -0.155 4.315 4.470 -0.000 0.000 0.360 279 S C 0.063 174.682 174.600 0.030 0.000 0.930 279 S CA 1.463 59.679 58.200 0.027 0.000 1.317 279 S CB -1.016 62.198 63.200 0.023 0.000 0.920 279 S HN 0.257 nan 8.310 nan 0.000 0.540 280 T N 1.868 116.444 114.554 0.037 0.000 2.885 280 T HA 0.815 5.165 4.350 -0.000 0.000 0.285 280 T C 0.402 175.120 174.700 0.030 0.000 1.019 280 T CA -0.769 61.357 62.100 0.043 0.000 1.010 280 T CB 1.656 70.559 68.868 0.060 0.000 1.022 280 T HN 0.564 nan 8.240 nan 0.000 0.466 281 I N -0.975 119.614 120.570 0.032 0.000 3.145 281 I HA 0.857 5.027 4.170 -0.000 0.000 0.313 281 I C -1.788 174.348 176.117 0.032 0.000 1.122 281 I CA -1.621 59.693 61.300 0.023 0.000 0.987 281 I CB 1.833 39.842 38.000 0.015 0.000 1.236 281 I HN 0.413 nan 8.210 nan 0.000 0.453 282 L N 3.440 124.673 121.223 0.018 0.000 2.377 282 L HA 0.545 4.885 4.340 -0.000 0.000 0.270 282 L C -0.925 175.948 176.870 0.005 0.000 0.991 282 L CA -0.270 54.574 54.840 0.006 0.000 0.851 282 L CB 1.357 43.403 42.059 -0.023 0.000 1.218 282 L HN 0.550 nan 8.230 nan 0.000 0.420 283 L N 5.150 126.373 121.223 -0.001 0.000 2.380 283 L HA 0.478 4.818 4.340 -0.000 0.000 0.273 283 L C -0.021 176.805 176.870 -0.073 0.000 1.138 283 L CA 0.185 55.036 54.840 0.019 0.000 0.832 283 L CB 0.979 43.062 42.059 0.040 0.000 1.124 283 L HN 0.589 nan 8.230 nan 0.000 0.454 284 M N 3.382 123.052 119.600 0.117 0.000 2.284 284 M HA 0.297 4.777 4.480 -0.000 0.000 0.281 284 M C -0.919 175.367 176.300 -0.023 0.000 1.083 284 M CA -0.183 55.066 55.300 -0.084 0.000 0.965 284 M CB 2.284 34.843 32.600 -0.068 0.000 1.717 284 M HN 0.748 nan 8.290 nan 0.000 0.479 285 S N 2.971 118.382 115.700 -0.481 0.000 2.806 285 S HA 0.591 5.061 4.470 -0.000 0.000 0.315 285 S C 0.515 174.948 174.600 -0.278 0.000 1.127 285 S CA -0.785 57.139 58.200 -0.460 0.000 0.918 285 S CB 1.363 63.869 63.200 -1.156 0.000 1.240 285 S HN 0.727 nan 8.310 nan 0.000 0.552 286 N N 0.944 119.520 118.700 -0.206 0.000 2.058 286 N HA -0.078 4.662 4.740 -0.000 0.000 0.191 286 N C 1.316 176.698 175.510 -0.213 0.000 1.037 286 N CA 1.326 54.261 53.050 -0.191 0.000 0.848 286 N CB -0.560 37.825 38.487 -0.170 0.000 1.021 286 N HN 0.443 nan 8.380 nan 0.000 0.422 287 K N 0.261 120.523 120.400 -0.230 0.000 1.973 287 K HA 0.004 4.324 4.320 -0.000 0.000 0.210 287 K C 1.379 177.880 176.600 -0.164 0.000 1.045 287 K CA 1.191 57.378 56.287 -0.167 0.000 0.937 287 K CB -0.507 31.906 32.500 -0.144 0.000 0.721 287 K HN 0.481 nan 8.250 nan 0.000 0.438 288 T N -4.213 110.172 114.554 -0.282 0.000 2.590 288 T HA 0.711 5.061 4.350 -0.000 0.000 0.282 288 T C -0.940 173.506 174.700 -0.423 0.000 0.989 288 T CA -0.453 61.504 62.100 -0.239 0.000 1.091 288 T CB 1.405 70.213 68.868 -0.099 0.000 1.460 288 T HN 0.168 nan 8.240 nan 0.000 0.499 289 S N -0.513 114.971 115.700 -0.358 0.000 2.622 289 S HA 0.690 5.160 4.470 -0.000 0.000 0.275 289 S C -1.995 172.388 174.600 -0.362 0.000 1.112 289 S CA -1.138 56.747 58.200 -0.525 0.000 0.837 289 S CB 0.694 63.707 63.200 -0.311 0.000 1.082 289 S HN 1.848 nan 8.310 nan 0.000 0.456 290 Y N -1.775 118.523 120.300 -0.003 0.000 2.814 290 Y HA 0.695 5.245 4.550 -0.000 0.000 0.348 290 Y C -1.153 174.754 175.900 0.011 0.000 1.245 290 Y CA -1.422 56.677 58.100 -0.002 0.000 1.086 290 Y CB 0.205 38.669 38.460 0.006 0.000 1.373 290 Y HN 0.751 nan 8.280 nan 0.000 0.451 291 K N 1.082 121.623 120.400 0.235 0.000 2.218 291 K HA 0.684 5.004 4.320 -0.000 0.000 0.276 291 K C -1.400 175.312 176.600 0.185 0.000 1.022 291 K CA -0.711 55.666 56.287 0.149 0.000 0.946 291 K CB 1.475 34.024 32.500 0.082 0.000 1.000 291 K HN 0.523 nan 8.250 nan 0.000 0.468 292 V N 5.165 125.163 119.914 0.140 0.000 2.482 292 V HA 0.257 4.377 4.120 -0.000 0.000 0.295 292 V C -0.363 175.777 176.094 0.077 0.000 1.026 292 V CA -0.921 61.449 62.300 0.116 0.000 0.856 292 V CB 1.266 33.159 31.823 0.116 0.000 1.001 292 V HN 0.622 nan 8.190 nan 0.000 0.424 293 L N 5.290 126.562 121.223 0.083 0.000 2.380 293 L HA 0.387 4.727 4.340 -0.000 0.000 0.273 293 L C 0.449 177.327 176.870 0.014 0.000 1.138 293 L CA -0.226 54.652 54.840 0.063 0.000 0.832 293 L CB 0.624 42.747 42.059 0.106 0.000 1.124 293 L HN 0.547 nan 8.230 nan 0.000 0.454 294 L N 2.840 124.069 121.223 0.010 0.000 3.036 294 L HA 0.240 4.580 4.340 -0.000 0.000 0.237 294 L C 0.993 177.853 176.870 -0.017 0.000 1.319 294 L CA -0.018 54.817 54.840 -0.009 0.000 1.112 294 L CB -0.286 41.774 42.059 0.001 0.000 1.480 294 L HN 0.709 nan 8.230 nan 0.000 0.506 295 E N 0.504 120.682 120.200 -0.037 0.000 2.816 295 E HA -0.061 4.289 4.350 -0.000 0.000 0.260 295 E C 0.268 176.830 176.600 -0.064 0.000 1.414 295 E CA -0.220 56.156 56.400 -0.040 0.000 1.074 295 E CB 0.846 30.522 29.700 -0.040 0.000 1.123 295 E HN 0.240 nan 8.360 nan 0.000 0.664 296 D N 0.397 120.765 120.400 -0.053 0.000 2.092 296 D HA -0.121 4.519 4.640 -0.000 0.000 0.193 296 D C -0.060 176.186 176.300 -0.089 0.000 0.994 296 D CA 1.296 55.267 54.000 -0.048 0.000 0.828 296 D CB -0.049 40.735 40.800 -0.027 0.000 0.963 296 D HN 0.255 nan 8.370 nan 0.000 0.450 297 E N 0.979 121.086 120.200 -0.155 0.000 2.290 297 E HA 0.161 4.511 4.350 -0.000 0.000 0.277 297 E C 0.330 176.687 176.600 -0.405 0.000 1.035 297 E CA -0.198 56.043 56.400 -0.266 0.000 0.873 297 E CB 1.031 30.521 29.700 -0.349 0.000 1.029 297 E HN 0.251 nan 8.360 nan 0.000 0.419 298 L N 3.932 125.000 121.223 -0.257 0.000 2.426 298 L HA 0.096 4.436 4.340 -0.000 0.000 0.271 298 L C 0.392 177.105 176.870 -0.262 0.000 1.169 298 L CA 0.259 54.979 54.840 -0.199 0.000 0.836 298 L CB 0.148 42.163 42.059 -0.072 0.000 1.112 298 L HN 0.333 nan 8.230 nan 0.000 0.465 299 H N 1.760 120.829 119.070 -0.002 0.000 2.609 299 H HA 0.353 4.909 4.556 -0.000 0.000 0.344 299 H C -0.851 174.466 175.328 -0.019 0.000 1.040 299 H CA -0.630 55.410 56.048 -0.014 0.000 1.216 299 H CB 2.129 31.887 29.762 -0.006 0.000 1.529 299 H HN 0.169 nan 8.280 nan 0.000 0.519 300 V N 3.434 123.395 119.914 0.079 0.000 2.364 300 V HA 0.220 4.340 4.120 -0.000 0.000 0.272 300 V C 0.816 176.898 176.094 -0.019 0.000 1.036 300 V CA -0.263 62.022 62.300 -0.024 0.000 0.880 300 V CB 1.318 32.997 31.823 -0.240 0.000 0.991 300 V HN 0.733 nan 8.190 nan 0.000 0.460 301 T N 3.583 118.151 114.554 0.024 0.000 2.918 301 T HA 0.676 5.026 4.350 -0.000 0.000 0.286 301 T C 0.903 175.629 174.700 0.043 0.000 1.026 301 T CA 0.333 62.439 62.100 0.011 0.000 1.031 301 T CB 1.892 70.770 68.868 0.016 0.000 1.046 301 T HN 0.714 nan 8.240 nan 0.000 0.479 302 A N 2.636 125.474 122.820 0.029 0.000 1.843 302 A HA 0.154 4.474 4.320 -0.000 0.000 0.213 302 A C 1.816 179.428 177.584 0.046 0.000 1.239 302 A CA 1.655 53.730 52.037 0.063 0.000 0.606 302 A CB -1.081 17.937 19.000 0.030 0.000 0.903 302 A HN 1.040 nan 8.150 nan 0.000 0.455 303 D N -0.673 119.730 120.400 0.005 0.000 3.192 303 D HA -0.450 4.190 4.640 -0.000 0.000 0.543 303 D C 1.077 177.343 176.300 -0.057 0.000 1.080 303 D CA 2.800 56.782 54.000 -0.030 0.000 1.545 303 D CB -0.646 40.133 40.800 -0.036 0.000 0.300 303 D HN 0.597 nan 8.370 nan 0.000 0.628 304 N N -0.120 118.550 118.700 -0.051 0.000 2.924 304 N HA -0.308 4.432 4.740 -0.000 0.000 0.210 304 N C 1.540 176.955 175.510 -0.158 0.000 0.902 304 N CA 2.390 55.388 53.050 -0.086 0.000 1.061 304 N CB -1.624 36.816 38.487 -0.079 0.000 0.985 304 N HN 0.922 nan 8.380 nan 0.000 0.600 305 I N -2.902 117.544 120.570 -0.207 0.000 3.295 305 I HA -0.403 3.767 4.170 -0.000 0.000 0.232 305 I C 0.965 176.787 176.117 -0.492 0.000 0.537 305 I CA 2.089 63.194 61.300 -0.323 0.000 1.362 305 I CB -2.087 35.771 38.000 -0.237 0.000 1.069 305 I HN 0.312 nan 8.210 nan 0.000 0.357 306 I N 0.822 121.189 120.570 -0.338 0.000 3.136 306 I HA 0.165 4.335 4.170 -0.000 0.000 0.262 306 I C 2.827 178.801 176.117 -0.239 0.000 1.132 306 I CA 1.025 62.169 61.300 -0.260 0.000 1.450 306 I CB -0.350 37.577 38.000 -0.122 0.000 1.315 306 I HN 0.251 nan 8.210 nan 0.000 0.460 307 A N 2.071 124.783 122.820 -0.180 0.000 1.940 307 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 307 A C -0.060 177.466 177.584 -0.097 0.000 1.176 307 A CA 1.619 53.588 52.037 -0.114 0.000 0.631 307 A CB -1.955 16.992 19.000 -0.089 0.000 0.814 307 A HN 0.258 nan 8.150 nan 0.000 0.446 308 P HA -0.242 nan 4.420 nan 0.000 0.214 308 P C 1.187 178.494 177.300 0.012 0.000 1.169 308 P CA 1.766 64.794 63.100 -0.120 0.000 0.908 308 P CB -0.456 31.094 31.700 -0.251 0.000 0.791 309 Y N -0.753 119.539 120.300 -0.014 0.000 2.097 309 Y HA -0.156 4.394 4.550 -0.000 0.000 0.282 309 Y C 2.878 178.764 175.900 -0.023 0.000 1.152 309 Y CA 0.118 58.210 58.100 -0.012 0.000 1.136 309 Y CB -1.072 37.377 38.460 -0.019 0.000 0.975 309 Y HN -0.173 nan 8.280 nan 0.000 0.498 310 L N 0.089 121.367 121.223 0.091 0.000 2.012 310 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 310 L C 2.672 179.582 176.870 0.067 0.000 1.073 310 L CA 1.445 56.277 54.840 -0.014 0.000 0.748 310 L CB -0.350 41.647 42.059 -0.104 0.000 0.891 310 L HN 0.300 nan 8.230 nan 0.000 0.431 311 E N 0.328 120.580 120.200 0.087 0.000 2.274 311 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 311 E C 1.975 178.627 176.600 0.086 0.000 0.996 311 E CA 0.828 57.298 56.400 0.118 0.000 0.840 311 E CB 0.289 30.020 29.700 0.053 0.000 0.772 311 E HN 0.337 nan 8.360 nan 0.000 0.491 312 K N 1.606 122.061 120.400 0.092 0.000 1.985 312 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 312 K C 2.109 178.788 176.600 0.131 0.000 1.047 312 K CA 1.997 58.342 56.287 0.097 0.000 0.932 312 K CB -0.254 32.315 32.500 0.115 0.000 0.716 312 K HN -0.141 nan 8.250 nan 0.000 0.439 313 K N -0.566 119.925 120.400 0.153 0.000 2.032 313 K HA -0.115 4.205 4.320 -0.000 0.000 0.209 313 K C 1.953 178.742 176.600 0.315 0.000 1.048 313 K CA 1.587 57.995 56.287 0.200 0.000 0.927 313 K CB -0.516 32.077 32.500 0.154 0.000 0.712 313 K HN 0.271 nan 8.250 nan 0.000 0.441 314 F N 1.580 121.586 119.950 0.094 0.000 2.269 314 F HA -0.074 4.453 4.527 -0.000 0.000 0.301 314 F C 1.795 177.744 175.800 0.249 0.000 1.082 314 F CA 1.383 59.461 58.000 0.130 0.000 1.360 314 F CB -0.256 38.750 39.000 0.010 0.000 1.041 314 F HN -0.026 nan 8.300 nan 0.000 0.512 315 K N 0.443 120.906 120.400 0.104 0.000 2.116 315 K HA -0.116 4.204 4.320 -0.000 0.000 0.203 315 K C 2.269 178.948 176.600 0.132 0.000 1.052 315 K CA 0.996 57.287 56.287 0.007 0.000 0.952 315 K CB -0.149 32.320 32.500 -0.051 0.000 0.729 315 K HN 0.140 nan 8.250 nan 0.000 0.446 316 K N -0.556 119.958 120.400 0.190 0.000 2.057 316 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 316 K C 1.528 178.279 176.600 0.251 0.000 1.049 316 K CA 1.595 57.991 56.287 0.182 0.000 0.931 316 K CB -0.270 32.337 32.500 0.178 0.000 0.714 316 K HN 0.311 nan 8.250 nan 0.000 0.440 317 W N 0.981 122.397 121.300 0.193 0.000 2.560 317 W HA -0.101 4.559 4.660 -0.000 0.000 0.252 317 W C 1.652 178.349 176.519 0.298 0.000 1.242 317 W CA 0.999 58.498 57.345 0.255 0.000 1.242 317 W CB 0.001 29.676 29.460 0.358 0.000 1.136 317 W HN -0.028 nan 8.180 nan 0.000 0.625 318 S N -0.222 115.704 115.700 0.378 0.000 2.660 318 S HA -0.030 4.440 4.470 -0.000 0.000 0.228 318 S C 0.332 174.921 174.600 -0.018 0.000 0.966 318 S CA 0.874 59.189 58.200 0.192 0.000 0.940 318 S CB -0.681 62.487 63.200 -0.054 0.000 0.773 318 S HN 0.103 nan 8.310 nan 0.000 0.535 319 T N 0.972 115.498 114.554 -0.047 0.000 2.963 319 T HA 0.630 4.980 4.350 -0.000 0.000 0.343 319 T C 0.053 174.619 174.700 -0.223 0.000 1.146 319 T CA -0.526 61.512 62.100 -0.103 0.000 1.016 319 T CB 0.605 69.437 68.868 -0.060 0.000 1.046 319 T HN 0.344 nan 8.240 nan 0.000 0.496 320 I N 2.003 122.417 120.570 -0.260 0.000 1.942 320 I HA 0.043 4.213 4.170 -0.000 0.000 0.288 320 I C -1.108 174.802 176.117 -0.345 0.000 0.941 320 I CA 0.215 61.257 61.300 -0.430 0.000 0.440 320 I CB -0.582 36.965 38.000 -0.755 0.000 3.757 320 I HN 0.828 nan 8.210 nan 0.000 0.842 321 W N 2.997 124.123 121.300 -0.289 0.000 0.404 321 W HA 0.132 4.792 4.660 -0.000 0.000 0.132 321 W C -0.252 176.307 176.519 0.066 0.000 0.585 321 W CA 0.270 57.581 57.345 -0.056 0.000 0.215 321 W CB -1.114 28.357 29.460 0.019 0.000 0.665 321 W HN 0.424 nan 8.180 nan 0.000 0.316 322 N N 2.979 121.669 118.700 -0.017 0.000 1.830 322 N HA -0.230 4.510 4.740 -0.000 0.000 0.306 322 N C 0.265 175.659 175.510 -0.193 0.000 1.266 322 N CA 1.996 54.989 53.050 -0.096 0.000 0.920 322 N CB -0.219 38.249 38.487 -0.031 0.000 1.234 322 N HN 0.512 nan 8.380 nan 0.000 0.498 323 E N 0.814 120.794 120.200 -0.366 0.000 3.386 323 E HA -0.274 4.076 4.350 -0.000 0.000 0.389 323 E C -0.831 175.659 176.600 -0.182 0.000 0.345 323 E CA 1.190 57.357 56.400 -0.389 0.000 1.274 323 E CB -0.472 29.107 29.700 -0.201 0.000 0.474 323 E HN 0.568 nan 8.360 nan 0.000 0.368 324 F N 1.289 120.947 119.950 -0.487 0.000 2.183 324 F HA -0.184 4.343 4.527 -0.000 0.000 0.318 324 F C 1.039 176.779 175.800 -0.101 0.000 1.021 324 F CA 0.438 58.300 58.000 -0.231 0.000 0.912 324 F CB -0.488 38.444 39.000 -0.113 0.000 4.134 324 F HN 0.619 nan 8.300 nan 0.000 0.138 325 N N 1.175 120.163 118.700 0.479 0.000 2.362 325 N HA 0.033 4.773 4.740 -0.000 0.000 0.211 325 N C 0.656 176.482 175.510 0.526 0.000 1.170 325 N CA 0.172 53.594 53.050 0.620 0.000 0.828 325 N CB -0.159 38.573 38.487 0.408 0.000 1.034 325 N HN 0.358 nan 8.380 nan 0.000 0.475 326 N N 0.128 119.092 118.700 0.439 0.000 2.586 326 N HA -0.165 4.575 4.740 -0.000 0.000 0.191 326 N C -0.379 175.070 175.510 -0.102 0.000 1.085 326 N CA 1.302 54.431 53.050 0.133 0.000 0.921 326 N CB 0.054 38.587 38.487 0.077 0.000 0.954 326 N HN 0.378 nan 8.380 nan 0.000 0.448 327 Y N -0.696 119.920 120.300 0.527 0.000 2.829 327 Y HA 0.397 4.947 4.550 -0.000 0.000 0.322 327 Y C -0.476 175.397 175.900 -0.043 0.000 1.357 327 Y CA -1.159 57.031 58.100 0.150 0.000 1.081 327 Y CB 1.069 39.527 38.460 -0.003 0.000 1.339 327 Y HN -0.309 nan 8.280 nan 0.000 0.469 328 E N 1.209 121.389 120.200 -0.033 0.000 2.518 328 E HA 0.327 4.677 4.350 -0.000 0.000 0.240 328 E C -1.312 175.145 176.600 -0.238 0.000 0.996 328 E CA -0.554 55.783 56.400 -0.105 0.000 0.768 328 E CB 0.637 30.342 29.700 0.008 0.000 1.329 328 E HN 0.557 nan 8.360 nan 0.000 0.408 329 T N 0.378 114.655 114.554 -0.462 0.000 2.902 329 T HA 0.750 5.100 4.350 -0.000 0.000 0.283 329 T C -0.152 174.450 174.700 -0.163 0.000 1.009 329 T CA -0.705 61.175 62.100 -0.367 0.000 1.051 329 T CB 1.770 70.326 68.868 -0.520 0.000 0.999 329 T HN 0.208 nan 8.240 nan 0.000 0.474 330 T N 2.277 116.669 114.554 -0.269 0.000 2.993 330 T HA 0.490 4.840 4.350 -0.000 0.000 0.312 330 T C -1.240 173.140 174.700 -0.534 0.000 1.115 330 T CA -0.834 61.082 62.100 -0.307 0.000 1.027 330 T CB 1.269 70.024 68.868 -0.188 0.000 1.116 330 T HN 0.851 nan 8.240 nan 0.000 0.464 331 L N 5.838 126.644 121.223 -0.695 0.000 2.319 331 L HA 0.747 5.087 4.340 -0.000 0.000 0.280 331 L C -0.891 175.781 176.870 -0.330 0.000 1.099 331 L CA -0.088 54.362 54.840 -0.649 0.000 0.828 331 L CB 0.772 42.377 42.059 -0.757 0.000 1.150 331 L HN 0.471 nan 8.230 nan 0.000 0.442 332 V N 7.062 126.852 119.914 -0.206 0.000 2.398 332 V HA 0.390 4.510 4.120 -0.000 0.000 0.286 332 V C 0.216 176.225 176.094 -0.141 0.000 1.026 332 V CA -0.404 61.806 62.300 -0.151 0.000 0.868 332 V CB 1.513 33.297 31.823 -0.065 0.000 0.982 332 V HN 0.624 nan 8.190 nan 0.000 0.443 333 I N 4.886 125.348 120.570 -0.179 0.000 2.321 333 I HA 0.350 4.520 4.170 -0.000 0.000 0.291 333 I C 0.897 176.828 176.117 -0.310 0.000 0.998 333 I CA -0.364 60.838 61.300 -0.164 0.000 1.227 333 I CB 0.916 38.854 38.000 -0.104 0.000 1.368 333 I HN 0.691 nan 8.210 nan 0.000 0.466 334 H N 4.735 123.628 119.070 -0.294 0.000 2.622 334 H HA 0.356 4.912 4.556 -0.000 0.000 0.269 334 H C 0.684 175.663 175.328 -0.582 0.000 0.977 334 H CA 0.157 55.832 56.048 -0.621 0.000 1.179 334 H CB 1.198 30.181 29.762 -1.298 0.000 1.458 334 H HN 0.737 nan 8.280 nan 0.000 0.531 335 G N 0.601 109.224 108.800 -0.294 0.000 2.429 335 G HA2 0.408 4.368 3.960 -0.000 0.000 0.300 335 G HA3 0.408 4.368 3.960 -0.000 0.000 0.300 335 G C -1.720 173.044 174.900 -0.226 0.000 1.598 335 G CA -0.769 44.180 45.100 -0.252 0.000 0.863 335 G HN 0.047 nan 8.290 nan 0.000 0.614 336 I N 0.810 121.247 120.570 -0.221 0.000 2.619 336 I HA 0.765 4.935 4.170 -0.000 0.000 0.292 336 I C -0.090 175.989 176.117 -0.062 0.000 1.100 336 I CA -0.842 60.355 61.300 -0.171 0.000 1.043 336 I CB 2.556 40.398 38.000 -0.262 0.000 1.239 336 I HN 0.583 nan 8.210 nan 0.000 0.420 337 S N 5.763 121.480 115.700 0.027 0.000 2.533 337 S HA 0.646 5.116 4.470 -0.000 0.000 0.271 337 S C -1.111 173.654 174.600 0.275 0.000 1.143 337 S CA -0.630 57.658 58.200 0.147 0.000 0.891 337 S CB 1.047 64.364 63.200 0.195 0.000 1.105 337 S HN 0.515 nan 8.310 nan 0.000 0.468 338 L N 3.105 124.480 121.223 0.255 0.000 2.436 338 L HA 0.382 4.722 4.340 -0.000 0.000 0.265 338 L C 0.944 177.999 176.870 0.307 0.000 1.168 338 L CA -0.511 54.487 54.840 0.263 0.000 0.815 338 L CB 1.059 43.205 42.059 0.145 0.000 1.109 338 L HN 0.707 nan 8.230 nan 0.000 0.462 339 S N 2.394 118.124 115.700 0.050 0.000 2.559 339 S HA -0.022 4.448 4.470 -0.000 0.000 0.282 339 S C -1.566 172.871 174.600 -0.273 0.000 1.336 339 S CA -0.849 56.989 58.200 -0.602 0.000 1.037 339 S CB 0.499 63.436 63.200 -0.439 0.000 0.853 339 S HN 0.496 nan 8.310 nan 0.000 0.523 340 P HA -0.130 nan 4.420 nan 0.000 0.215 340 P C 0.781 178.064 177.300 -0.027 0.000 1.153 340 P CA 1.217 64.239 63.100 -0.129 0.000 0.853 340 P CB -0.092 31.512 31.700 -0.161 0.000 0.788 341 D N -1.957 118.446 120.400 0.005 0.000 2.363 341 D HA 0.063 4.703 4.640 -0.000 0.000 0.220 341 D C 1.395 177.817 176.300 0.202 0.000 0.994 341 D CA 0.841 54.960 54.000 0.197 0.000 0.890 341 D CB -1.177 39.853 40.800 0.383 0.000 0.906 341 D HN 0.214 nan 8.370 nan 0.000 0.530 342 G N -0.519 108.339 108.800 0.097 0.000 2.143 342 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.248 342 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.248 342 G C 0.471 175.476 174.900 0.176 0.000 0.991 342 G CA 0.523 45.671 45.100 0.081 0.000 0.689 342 G HN 0.447 nan 8.290 nan 0.000 0.522 343 Y N 1.019 121.503 120.300 0.306 0.000 2.510 343 Y HA 0.370 4.920 4.550 -0.000 0.000 0.273 343 Y C 1.686 177.889 175.900 0.506 0.000 1.119 343 Y CA 1.028 59.384 58.100 0.427 0.000 1.286 343 Y CB 0.717 39.258 38.460 0.135 0.000 1.061 343 Y HN 0.367 nan 8.280 nan 0.000 0.542 344 S N -0.347 115.622 115.700 0.449 0.000 2.671 344 S HA 0.577 5.047 4.470 -0.000 0.000 0.299 344 S C -1.245 173.591 174.600 0.393 0.000 1.116 344 S CA -0.814 57.642 58.200 0.426 0.000 0.912 344 S CB 2.572 66.043 63.200 0.452 0.000 1.130 344 S HN 0.071 nan 8.310 nan 0.000 0.501 345 I N 0.715 121.525 120.570 0.399 0.000 2.608 345 I HA 0.703 4.873 4.170 -0.000 0.000 0.295 345 I C -1.063 175.253 176.117 0.332 0.000 1.049 345 I CA -0.921 60.588 61.300 0.348 0.000 1.063 345 I CB 1.624 39.727 38.000 0.172 0.000 1.248 345 I HN 0.852 nan 8.210 nan 0.000 0.424 346 A N 8.204 131.167 122.820 0.237 0.000 2.303 346 A HA 0.777 5.097 4.320 -0.000 0.000 0.320 346 A C -0.967 176.501 177.584 -0.193 0.000 1.192 346 A CA -0.458 51.480 52.037 -0.166 0.000 0.821 346 A CB 0.674 19.455 19.000 -0.364 0.000 1.188 346 A HN 0.632 nan 8.150 nan 0.000 0.492 347 I N 3.277 123.686 120.570 -0.268 0.000 2.439 347 I HA 0.256 4.426 4.170 -0.000 0.000 0.285 347 I C -0.687 175.363 176.117 -0.111 0.000 1.021 347 I CA -0.849 60.358 61.300 -0.155 0.000 1.091 347 I CB 2.078 40.016 38.000 -0.103 0.000 1.242 347 I HN 0.333 nan 8.210 nan 0.000 0.439 348 V N 7.612 127.451 119.914 -0.125 0.000 2.461 348 V HA 0.311 4.431 4.120 -0.000 0.000 0.275 348 V C -0.515 175.601 176.094 0.036 0.000 1.047 348 V CA -0.195 62.052 62.300 -0.089 0.000 0.955 348 V CB 0.322 32.046 31.823 -0.165 0.000 0.988 348 V HN 0.679 nan 8.190 nan 0.000 0.471 349 Y N 1.893 122.163 120.300 -0.049 0.000 2.655 349 Y HA 0.885 5.435 4.550 -0.000 0.000 0.336 349 Y C -1.244 174.740 175.900 0.140 0.000 1.154 349 Y CA -1.339 56.757 58.100 -0.007 0.000 1.055 349 Y CB 2.050 40.453 38.460 -0.093 0.000 1.295 349 Y HN 0.505 nan 8.280 nan 0.000 0.465 350 D N 0.904 121.426 120.400 0.203 0.000 2.596 350 D HA 0.576 5.216 4.640 -0.000 0.000 0.234 350 D C -1.606 174.694 176.300 -0.001 0.000 1.181 350 D CA -0.511 53.579 54.000 0.151 0.000 0.856 350 D CB 2.381 43.468 40.800 0.478 0.000 1.498 350 D HN 0.750 nan 8.370 nan 0.000 0.446 351 M N 2.091 121.578 119.600 -0.187 0.000 2.213 351 M HA 0.406 4.886 4.480 -0.000 0.000 0.286 351 M C -0.853 175.118 176.300 -0.548 0.000 1.008 351 M CA -0.452 54.480 55.300 -0.614 0.000 0.937 351 M CB 2.225 34.105 32.600 -1.200 0.000 1.600 351 M HN 0.324 nan 8.290 nan 0.000 0.450 352 E N 1.050 120.998 120.200 -0.420 0.000 2.431 352 E HA 0.667 5.017 4.350 -0.000 0.000 0.240 352 E C -0.784 175.781 176.600 -0.058 0.000 0.867 352 E CA -1.015 55.339 56.400 -0.077 0.000 0.888 352 E CB 2.273 32.005 29.700 0.052 0.000 1.739 352 E HN 0.482 nan 8.360 nan 0.000 0.413 353 R N -0.271 120.258 120.500 0.048 0.000 3.474 353 R HA 0.424 4.764 4.340 -0.000 0.000 0.224 353 R C 0.996 177.316 176.300 0.033 0.000 1.554 353 R CA -0.123 55.994 56.100 0.027 0.000 0.952 353 R CB 0.353 30.692 30.300 0.065 0.000 1.691 353 R HN 0.344 nan 8.270 nan 0.000 0.512 354 V N 0.079 120.053 119.914 0.100 0.000 2.230 354 V HA -0.186 3.934 4.120 -0.000 0.000 0.156 354 V C 1.400 177.558 176.094 0.106 0.000 0.794 354 V CA 1.753 64.127 62.300 0.124 0.000 1.101 354 V CB -1.051 30.909 31.823 0.227 0.000 0.693 354 V HN 0.863 nan 8.190 nan 0.000 0.483 355 A N -0.253 122.653 122.820 0.144 0.000 2.308 355 A HA 0.519 4.839 4.320 -0.000 0.000 0.217 355 A C 0.717 178.523 177.584 0.370 0.000 1.216 355 A CA 0.197 52.322 52.037 0.146 0.000 0.864 355 A CB -0.875 18.193 19.000 0.113 0.000 0.902 355 A HN 1.667 nan 8.150 nan 0.000 0.499 356 F N -1.927 118.037 119.950 0.024 0.000 2.180 356 F HA -0.281 4.246 4.527 -0.000 0.000 0.318 356 F C -0.413 175.382 175.800 -0.009 0.000 0.861 356 F CA 0.754 58.770 58.000 0.028 0.000 0.913 356 F CB -0.505 38.524 39.000 0.049 0.000 4.122 356 F HN 0.054 nan 8.300 nan 0.000 0.149 357 K N 3.722 123.810 120.400 -0.521 0.000 3.253 357 K HA 0.209 4.529 4.320 -0.000 0.000 0.174 357 K C 0.459 176.731 176.600 -0.547 0.000 1.071 357 K CA -0.167 55.767 56.287 -0.590 0.000 0.836 357 K CB -0.171 32.222 32.500 -0.178 0.000 0.922 357 K HN 0.707 nan 8.250 nan 0.000 0.565 358 Y N -1.613 117.743 120.300 -1.574 0.000 2.657 358 Y HA -0.495 4.055 4.550 -0.000 0.000 0.497 358 Y C 0.143 175.846 175.900 -0.328 0.000 0.810 358 Y CA 1.739 59.312 58.100 -0.879 0.000 3.462 358 Y CB -1.743 36.465 38.460 -0.420 0.000 0.723 358 Y HN 0.415 nan 8.280 nan 0.000 0.563 359 K N 0.755 121.156 120.400 0.002 0.000 6.402 359 K HA -0.123 4.197 4.320 -0.000 0.000 0.650 359 K C -0.398 176.135 176.600 -0.112 0.000 1.670 359 K CA 1.138 57.382 56.287 -0.072 0.000 1.619 359 K CB -1.400 31.070 32.500 -0.051 0.000 1.825 359 K HN 0.632 nan 8.250 nan 0.000 0.338 360 I N 3.170 123.637 120.570 -0.172 0.000 2.919 360 I HA -0.191 3.979 4.170 -0.000 0.000 0.303 360 I C 2.118 178.156 176.117 -0.131 0.000 1.221 360 I CA 0.629 61.823 61.300 -0.176 0.000 1.444 360 I CB -0.076 37.814 38.000 -0.184 0.000 1.331 360 I HN 0.870 nan 8.210 nan 0.000 0.572 361 A N 4.625 127.366 122.820 -0.132 0.000 2.268 361 A HA -0.368 3.952 4.320 -0.000 0.000 0.292 361 A C 1.414 178.924 177.584 -0.123 0.000 4.069 361 A CA 2.513 54.470 52.037 -0.134 0.000 1.021 361 A CB -1.490 17.420 19.000 -0.151 0.000 0.480 361 A HN 0.743 nan 8.150 nan 0.000 0.425 362 S N 0.925 116.556 115.700 -0.114 0.000 2.416 362 S HA 0.460 4.930 4.470 -0.000 0.000 0.302 362 S C -0.396 174.141 174.600 -0.105 0.000 1.120 362 S CA 0.945 59.082 58.200 -0.105 0.000 1.067 362 S CB -0.055 63.093 63.200 -0.086 0.000 1.057 362 S HN 1.220 nan 8.310 nan 0.000 0.518 363 E N 3.588 123.716 120.200 -0.121 0.000 6.778 363 E HA 0.045 4.395 4.350 -0.000 0.000 0.254 363 E C -1.204 175.309 176.600 -0.146 0.000 0.954 363 E CA 0.095 56.423 56.400 -0.119 0.000 1.438 363 E CB -1.097 28.544 29.700 -0.098 0.000 0.922 363 E HN 0.611 nan 8.360 nan 0.000 0.430 364 Q N 2.157 121.841 119.800 -0.193 0.000 3.675 364 Q HA 0.330 4.670 4.340 -0.000 0.000 0.113 364 Q C -1.976 173.713 176.000 -0.518 0.000 0.945 364 Q CA 0.607 56.226 55.803 -0.307 0.000 1.318 364 Q CB -0.886 27.692 28.738 -0.267 0.000 1.040 364 Q HN 1.076 nan 8.270 nan 0.000 0.596 365 S N 2.745 118.097 115.700 -0.580 0.000 2.638 365 S HA 0.996 5.466 4.470 -0.000 0.000 0.302 365 S C -0.604 173.459 174.600 -0.896 0.000 1.096 365 S CA -0.605 57.194 58.200 -0.668 0.000 0.953 365 S CB 1.412 64.430 63.200 -0.302 0.000 1.107 365 S HN 0.482 nan 8.310 nan 0.000 0.503 366 F N -0.078 119.807 119.950 -0.108 0.000 2.664 366 F HA 0.589 5.116 4.527 -0.000 0.000 0.329 366 F C 0.325 175.985 175.800 -0.234 0.000 1.090 366 F CA -1.144 56.763 58.000 -0.155 0.000 0.978 366 F CB 1.796 40.749 39.000 -0.079 0.000 1.378 366 F HN 0.498 nan 8.300 nan 0.000 0.495 367 N N 1.278 119.855 118.700 -0.205 0.000 2.249 367 N HA 0.515 5.255 4.740 -0.000 0.000 0.296 367 N C -1.583 173.750 175.510 -0.295 0.000 1.051 367 N CA -0.420 52.430 53.050 -0.333 0.000 0.815 367 N CB 2.747 40.879 38.487 -0.591 0.000 1.487 367 N HN 0.390 nan 8.380 nan 0.000 0.475 368 I N 1.550 122.008 120.570 -0.188 0.000 2.321 368 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 368 I C 0.371 176.262 176.117 -0.376 0.000 0.998 368 I CA -0.425 60.675 61.300 -0.334 0.000 1.227 368 I CB 1.474 39.160 38.000 -0.523 0.000 1.368 368 I HN 0.340 nan 8.210 nan 0.000 0.466 369 M N 6.620 126.063 119.600 -0.263 0.000 2.318 369 M HA 0.505 4.985 4.480 -0.000 0.000 0.347 369 M C -1.803 174.213 176.300 -0.474 0.000 1.175 369 M CA -0.149 55.053 55.300 -0.163 0.000 1.075 369 M CB 1.160 33.779 32.600 0.032 0.000 1.614 369 M HN 0.406 nan 8.290 nan 0.000 0.456 370 F N 3.471 123.463 119.950 0.070 0.000 2.477 370 F HA 0.728 5.255 4.527 0.000 0.000 0.335 370 F C -0.096 175.766 175.800 0.103 0.000 1.130 370 F CA -0.599 57.465 58.000 0.106 0.000 0.948 370 F CB 1.881 40.965 39.000 0.139 0.000 1.154 370 F HN 0.661 nan 8.300 nan 0.000 0.439 371 A N 4.380 127.380 122.820 0.300 0.000 2.475 371 A HA 0.881 5.201 4.320 -0.000 0.000 0.301 371 A C -3.045 174.665 177.584 0.211 0.000 1.059 371 A CA -1.915 50.255 52.037 0.221 0.000 0.710 371 A CB 2.039 21.219 19.000 0.300 0.000 1.288 371 A HN 0.341 nan 8.150 nan 0.000 0.408 372 P HA 0.315 nan 4.420 nan 0.000 0.286 372 P C 0.050 177.372 177.300 0.036 0.000 1.269 372 P CA -0.168 62.895 63.100 -0.062 0.000 0.787 372 P CB 1.037 32.367 31.700 -0.616 0.000 0.920 373 L N 2.335 123.633 121.223 0.126 0.000 2.567 373 L HA 0.130 4.470 4.340 -0.000 0.000 0.225 373 L C 0.258 176.844 176.870 -0.473 0.000 1.119 373 L CA 0.662 55.382 54.840 -0.200 0.000 0.871 373 L CB -0.398 41.455 42.059 -0.344 0.000 1.036 373 L HN 0.382 nan 8.230 nan 0.000 0.459 374 Y N -3.468 117.004 120.300 0.288 0.000 2.715 374 Y HA 0.274 4.824 4.550 -0.000 0.000 0.331 374 Y C 0.969 177.056 175.900 0.312 0.000 1.197 374 Y CA -1.001 57.250 58.100 0.251 0.000 1.079 374 Y CB 0.790 39.486 38.460 0.393 0.000 1.298 374 Y HN -0.199 nan 8.280 nan 0.000 0.477 375 H N -1.117 118.251 119.070 0.496 0.000 2.520 375 H HA 0.126 4.682 4.556 -0.000 0.000 0.279 375 H C 0.305 175.926 175.328 0.487 0.000 0.990 375 H CA 0.851 57.123 56.048 0.374 0.000 1.288 375 H CB 0.652 30.556 29.762 0.237 0.000 1.446 375 H HN 0.581 nan 8.280 nan 0.000 0.538 376 T N -1.699 113.208 114.554 0.590 0.000 2.887 376 T HA 0.346 4.696 4.350 -0.000 0.000 0.292 376 T C -1.210 173.587 174.700 0.162 0.000 1.087 376 T CA -1.017 61.311 62.100 0.379 0.000 1.009 376 T CB 2.649 71.615 68.868 0.163 0.000 1.203 376 T HN 0.378 nan 8.240 nan 0.000 0.518 377 W N 0.360 121.352 121.300 -0.514 0.000 3.039 377 W HA 0.743 5.402 4.660 -0.000 0.000 0.354 377 W C -1.571 174.399 176.519 -0.915 0.000 1.206 377 W CA -0.664 55.971 57.345 -1.184 0.000 1.134 377 W CB 0.466 28.932 29.460 -1.658 0.000 1.493 377 W HN 1.118 nan 8.180 nan 0.000 0.591 378 T N -1.453 112.457 114.554 -1.074 0.000 2.883 378 T HA 0.583 4.933 4.350 -0.000 0.000 0.301 378 T C -0.834 173.527 174.700 -0.566 0.000 1.158 378 T CA -0.819 60.789 62.100 -0.819 0.000 1.007 378 T CB 2.000 70.603 68.868 -0.442 0.000 1.186 378 T HN 0.413 nan 8.240 nan 0.000 0.499 379 I N 2.700 122.868 120.570 -0.669 0.000 2.389 379 I HA 0.247 4.417 4.170 -0.000 0.000 0.295 379 I C 0.881 176.886 176.117 -0.186 0.000 1.117 379 I CA -0.024 60.919 61.300 -0.596 0.000 1.317 379 I CB 0.466 37.917 38.000 -0.915 0.000 1.431 379 I HN 0.670 nan 8.210 nan 0.000 0.521 380 S N 4.484 120.289 115.700 0.174 0.000 2.610 380 S HA 0.189 4.659 4.470 -0.000 0.000 0.273 380 S C 1.177 175.980 174.600 0.339 0.000 1.274 380 S CA -0.599 57.750 58.200 0.249 0.000 1.023 380 S CB 0.905 64.296 63.200 0.320 0.000 0.962 380 S HN 0.641 nan 8.310 nan 0.000 0.523 381 E N 2.256 122.579 120.200 0.205 0.000 2.418 381 E HA -0.040 4.310 4.350 -0.000 0.000 0.197 381 E C 1.545 178.230 176.600 0.141 0.000 1.026 381 E CA 0.426 56.938 56.400 0.186 0.000 0.862 381 E CB 0.091 29.852 29.700 0.102 0.000 0.799 381 E HN 0.535 nan 8.360 nan 0.000 0.518 382 R N 0.437 121.018 120.500 0.134 0.000 2.275 382 R HA 0.142 4.482 4.340 -0.000 0.000 0.199 382 R C 0.610 176.913 176.300 0.005 0.000 0.989 382 R CA 0.301 56.438 56.100 0.063 0.000 1.016 382 R CB 0.365 30.711 30.300 0.077 0.000 0.918 382 R HN -0.031 nan 8.270 nan 0.000 0.473 383 A N 0.412 123.235 122.820 0.005 0.000 2.430 383 A HA 0.681 5.001 4.320 -0.000 0.000 0.300 383 A C -0.580 176.619 177.584 -0.642 0.000 1.124 383 A CA -0.666 51.222 52.037 -0.248 0.000 0.766 383 A CB 1.603 20.456 19.000 -0.245 0.000 1.328 383 A HN -0.026 nan 8.150 nan 0.000 0.424 384 V N -2.234 117.117 119.914 -0.939 0.000 3.181 384 V HA 0.938 5.058 4.120 -0.000 0.000 0.308 384 V C 0.907 176.323 176.094 -1.129 0.000 1.214 384 V CA -0.151 61.314 62.300 -1.392 0.000 1.053 384 V CB 0.530 32.012 31.823 -0.568 0.000 1.069 384 V HN 2.701 nan 8.190 nan 0.000 0.441 385 G N 0.351 108.636 108.800 -0.859 0.000 2.652 385 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.318 385 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.318 385 G C 0.494 175.388 174.900 -0.010 0.000 1.295 385 G CA 0.909 45.893 45.100 -0.193 0.000 0.999 385 G HN 1.301 nan 8.290 nan 0.000 0.548 386 L N 1.597 122.851 121.223 0.051 0.000 2.275 386 L HA 0.200 4.540 4.340 -0.000 0.000 0.215 386 L C 3.392 180.382 176.870 0.201 0.000 1.119 386 L CA 1.905 56.865 54.840 0.199 0.000 0.790 386 L CB -0.704 41.449 42.059 0.157 0.000 0.919 386 L HN 0.780 nan 8.230 nan 0.000 0.443 387 A N -0.132 122.705 122.820 0.028 0.000 1.903 387 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 387 A C 2.041 179.665 177.584 0.066 0.000 1.191 387 A CA 1.860 53.889 52.037 -0.014 0.000 0.638 387 A CB -0.875 18.001 19.000 -0.206 0.000 0.823 387 A HN 0.516 nan 8.150 nan 0.000 0.451 388 W N -1.559 119.821 121.300 0.134 0.000 2.333 388 W HA -0.181 4.479 4.660 -0.000 0.000 0.316 388 W C 2.247 178.889 176.519 0.206 0.000 1.215 388 W CA 1.176 58.602 57.345 0.137 0.000 1.278 388 W CB -1.697 27.891 29.460 0.213 0.000 1.154 388 W HN 0.556 nan 8.180 nan 0.000 0.486 389 Y N 1.624 122.238 120.300 0.522 0.000 2.151 389 Y HA -0.339 4.211 4.550 -0.000 0.000 0.284 389 Y C 2.576 178.657 175.900 0.303 0.000 1.166 389 Y CA 2.475 60.884 58.100 0.516 0.000 1.163 389 Y CB -0.790 37.932 38.460 0.437 0.000 0.974 389 Y HN 0.105 nan 8.280 nan 0.000 0.511 390 Q N -1.239 118.659 119.800 0.163 0.000 2.030 390 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 390 Q C 2.224 178.181 176.000 -0.072 0.000 0.986 390 Q CA 2.594 58.402 55.803 0.007 0.000 0.843 390 Q CB -0.499 28.346 28.738 0.178 0.000 0.904 390 Q HN 0.375 nan 8.270 nan 0.000 0.420 391 T N 0.161 114.627 114.554 -0.147 0.000 2.759 391 T HA -0.210 4.140 4.350 -0.000 0.000 0.269 391 T C 1.398 175.665 174.700 -0.722 0.000 1.042 391 T CA 1.394 63.236 62.100 -0.430 0.000 1.140 391 T CB -0.442 68.040 68.868 -0.644 0.000 0.864 391 T HN 0.358 nan 8.240 nan 0.000 0.455 392 Y N 2.156 121.981 120.300 -0.792 0.000 2.128 392 Y HA -0.181 4.369 4.550 -0.000 0.000 0.284 392 Y C 2.507 178.278 175.900 -0.215 0.000 1.154 392 Y CA 1.344 59.193 58.100 -0.419 0.000 1.149 392 Y CB -0.533 38.044 38.460 0.194 0.000 0.976 392 Y HN 0.088 nan 8.280 nan 0.000 0.505 393 Q N 0.267 119.806 119.800 -0.434 0.000 2.046 393 Q HA -0.135 4.205 4.340 -0.000 0.000 0.200 393 Q C 2.549 178.403 176.000 -0.243 0.000 0.975 393 Q CA 1.955 57.482 55.803 -0.459 0.000 0.836 393 Q CB -0.519 27.944 28.738 -0.458 0.000 0.896 393 Q HN 0.621 nan 8.270 nan 0.000 0.428 394 I N -0.330 120.160 120.570 -0.134 0.000 2.335 394 I HA -0.257 3.913 4.170 -0.000 0.000 0.251 394 I C 0.952 177.033 176.117 -0.059 0.000 1.129 394 I CA 0.991 62.276 61.300 -0.025 0.000 1.402 394 I CB -0.172 37.903 38.000 0.124 0.000 1.069 394 I HN 0.103 nan 8.210 nan 0.000 0.424 395 Y N 2.166 122.334 120.300 -0.219 0.000 2.627 395 Y HA 0.097 4.647 4.550 -0.000 0.000 0.339 395 Y C 0.666 176.522 175.900 -0.074 0.000 1.137 395 Y CA -0.537 57.482 58.100 -0.136 0.000 1.361 395 Y CB -1.082 37.220 38.460 -0.263 0.000 1.180 395 Y HN 0.210 nan 8.280 nan 0.000 0.512 396 N N 0.584 119.248 118.700 -0.059 0.000 2.708 396 N HA -0.323 4.417 4.740 -0.000 0.000 0.249 396 N C 0.436 175.890 175.510 -0.092 0.000 1.097 396 N CA 1.371 54.376 53.050 -0.076 0.000 0.710 396 N CB -1.366 37.105 38.487 -0.027 0.000 1.032 396 N HN 0.587 nan 8.380 nan 0.000 0.551 397 Q N -2.810 116.837 119.800 -0.255 0.000 2.424 397 Q HA -0.165 4.175 4.340 -0.000 0.000 0.234 397 Q C -0.772 175.345 176.000 0.196 0.000 0.748 397 Q CA 1.200 56.772 55.803 -0.385 0.000 1.286 397 Q CB -1.372 27.241 28.738 -0.209 0.000 1.494 397 Q HN 0.506 nan 8.270 nan 0.000 0.683 398 S N 0.534 116.425 115.700 0.318 0.000 2.525 398 S HA 0.215 4.685 4.470 -0.000 0.000 0.285 398 S C 0.293 175.302 174.600 0.681 0.000 1.283 398 S CA -0.265 58.209 58.200 0.455 0.000 1.072 398 S CB 0.305 63.783 63.200 0.464 0.000 0.867 398 S HN 0.279 nan 8.310 nan 0.000 0.492 399 L N 6.543 128.028 121.223 0.437 0.000 2.483 399 L HA 0.202 4.542 4.340 -0.000 0.000 0.275 399 L C -1.356 175.437 176.870 -0.128 0.000 1.220 399 L CA -0.866 54.123 54.840 0.249 0.000 0.833 399 L CB -0.082 42.041 42.059 0.107 0.000 1.102 399 L HN 0.443 nan 8.230 nan 0.000 0.490 400 P HA 0.077 nan 4.420 nan 0.000 0.293 400 P C 0.095 176.940 177.300 -0.759 0.000 1.298 400 P CA -0.471 61.740 63.100 -1.482 0.000 0.757 400 P CB 0.698 31.097 31.700 -2.168 0.000 1.262 401 K N -0.741 119.227 120.400 -0.720 0.000 1.978 401 K HA -0.044 4.276 4.320 -0.000 0.000 0.214 401 K C 0.056 176.458 176.600 -0.330 0.000 1.049 401 K CA 1.093 57.124 56.287 -0.426 0.000 0.939 401 K CB -1.019 31.263 32.500 -0.364 0.000 0.721 401 K HN 0.370 nan 8.250 nan 0.000 0.441 402 L N 0.002 120.996 121.223 -0.381 0.000 2.728 402 L HA -0.143 4.197 4.340 -0.000 0.000 0.527 402 L C -2.274 174.493 176.870 -0.171 0.000 1.002 402 L CA -0.854 53.794 54.840 -0.319 0.000 1.273 402 L CB -1.260 40.655 42.059 -0.240 0.000 1.435 402 L HN 0.234 nan 8.230 nan 0.000 0.711 403 P HA 0.069 nan 4.420 nan 0.000 0.266 403 P C -0.056 177.280 177.300 0.060 0.000 1.193 403 P CA -0.146 62.955 63.100 0.002 0.000 0.770 403 P CB 0.520 32.279 31.700 0.098 0.000 0.836 404 E N 3.150 123.370 120.200 0.033 0.000 2.608 404 E HA -0.149 4.201 4.350 -0.000 0.000 0.259 404 E C 0.359 176.993 176.600 0.057 0.000 0.951 404 E CA 0.692 57.112 56.400 0.034 0.000 0.945 404 E CB -0.511 29.199 29.700 0.017 0.000 0.916 404 E HN 0.333 nan 8.360 nan 0.000 0.477 405 N N 2.110 120.840 118.700 0.050 0.000 2.778 405 N HA -0.294 4.446 4.740 -0.000 0.000 0.249 405 N C -0.660 174.878 175.510 0.047 0.000 1.069 405 N CA 0.955 54.026 53.050 0.035 0.000 0.831 405 N CB -1.977 36.513 38.487 0.005 0.000 1.142 405 N HN 0.507 nan 8.380 nan 0.000 0.573 406 F N 1.925 121.853 119.950 -0.036 0.000 2.571 406 F HA 0.101 4.628 4.527 -0.000 0.000 0.390 406 F C 1.000 176.780 175.800 -0.032 0.000 1.043 406 F CA 0.355 58.332 58.000 -0.039 0.000 1.164 406 F CB 0.384 39.350 39.000 -0.056 0.000 1.049 406 F HN 0.035 nan 8.300 nan 0.000 0.552 407 S N 5.870 121.300 115.700 -0.450 0.000 2.537 407 S HA 0.307 4.777 4.470 -0.000 0.000 0.301 407 S C 0.755 175.119 174.600 -0.394 0.000 1.092 407 S CA -1.030 57.013 58.200 -0.261 0.000 1.048 407 S CB 1.682 64.767 63.200 -0.192 0.000 1.053 407 S HN 0.855 nan 8.310 nan 0.000 0.501 408 M N 3.289 122.823 119.600 -0.110 0.000 2.346 408 M HA -0.020 4.460 4.480 -0.000 0.000 0.263 408 M C 0.231 176.470 176.300 -0.102 0.000 1.064 408 M CA 1.634 56.909 55.300 -0.041 0.000 1.083 408 M CB -0.837 31.770 32.600 0.012 0.000 1.399 408 M HN 0.810 nan 8.290 nan 0.000 0.435 409 N N -0.316 118.302 118.700 -0.136 0.000 2.806 409 N HA 0.279 5.019 4.740 -0.000 0.000 0.315 409 N C -1.250 174.177 175.510 -0.138 0.000 1.738 409 N CA -0.450 52.541 53.050 -0.098 0.000 0.993 409 N CB 0.302 38.759 38.487 -0.050 0.000 1.324 409 N HN 0.059 nan 8.380 nan 0.000 0.493 410 K N 0.708 120.972 120.400 -0.228 0.000 2.324 410 K HA 0.329 4.649 4.320 -0.000 0.000 0.253 410 K C -0.405 176.121 176.600 -0.123 0.000 0.932 410 K CA -0.863 55.297 56.287 -0.213 0.000 0.799 410 K CB 2.228 34.515 32.500 -0.355 0.000 1.154 410 K HN 0.146 nan 8.250 nan 0.000 0.425 411 K N 1.582 121.961 120.400 -0.035 0.000 2.414 411 K HA 0.059 4.379 4.320 -0.000 0.000 0.272 411 K C -0.029 176.635 176.600 0.106 0.000 0.993 411 K CA -0.489 55.843 56.287 0.075 0.000 0.964 411 K CB 0.270 32.812 32.500 0.070 0.000 0.925 411 K HN 0.181 nan 8.250 nan 0.000 0.487 412 L N 3.687 125.051 121.223 0.236 0.000 2.485 412 L HA -0.018 4.322 4.340 -0.000 0.000 0.275 412 L C 0.846 177.842 176.870 0.211 0.000 1.207 412 L CA 0.694 55.673 54.840 0.231 0.000 0.855 412 L CB -0.309 41.900 42.059 0.250 0.000 1.114 412 L HN 0.668 nan 8.230 nan 0.000 0.485 413 L N 2.666 123.967 121.223 0.131 0.000 3.976 413 L HA -0.372 3.968 4.340 -0.000 0.000 0.418 413 L C 0.882 177.763 176.870 0.018 0.000 1.177 413 L CA 0.773 55.663 54.840 0.082 0.000 0.968 413 L CB -1.895 40.234 42.059 0.117 0.000 1.933 413 L HN 1.011 nan 8.230 nan 0.000 0.976 414 N N -1.058 117.648 118.700 0.010 0.000 2.741 414 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 414 N C 1.078 176.510 175.510 -0.130 0.000 1.112 414 N CA 1.237 54.262 53.050 -0.041 0.000 0.750 414 N CB -0.560 37.909 38.487 -0.029 0.000 1.119 414 N HN 0.853 nan 8.380 nan 0.000 0.561 415 G N -0.370 108.283 108.800 -0.246 0.000 2.358 415 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.224 415 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.224 415 G C 0.142 174.498 174.900 -0.906 0.000 1.073 415 G CA 0.205 44.939 45.100 -0.610 0.000 0.635 415 G HN 0.596 nan 8.290 nan 0.000 0.509 416 N N 1.281 119.747 118.700 -0.391 0.000 2.526 416 N HA 0.230 4.970 4.740 -0.000 0.000 0.302 416 N C -0.419 175.053 175.510 -0.062 0.000 1.232 416 N CA -0.091 52.836 53.050 -0.205 0.000 1.127 416 N CB -0.367 38.075 38.487 -0.076 0.000 1.476 416 N HN 0.526 nan 8.380 nan 0.000 0.498 417 Y N 2.202 122.586 120.300 0.140 0.000 2.350 417 Y HA 0.234 4.784 4.550 -0.000 0.000 0.340 417 Y C -1.419 174.672 175.900 0.319 0.000 1.006 417 Y CA -2.552 55.689 58.100 0.236 0.000 1.166 417 Y CB 0.958 39.615 38.460 0.327 0.000 1.168 417 Y HN 0.419 nan 8.280 nan 0.000 0.502 418 P HA 0.013 nan 4.420 nan 0.000 0.231 418 P C 0.665 178.302 177.300 0.562 0.000 1.756 418 P CA 0.268 63.626 63.100 0.430 0.000 0.990 418 P CB -0.745 31.148 31.700 0.320 0.000 1.973 419 I N -1.129 119.691 120.570 0.417 0.000 3.001 419 I HA -0.142 4.028 4.170 -0.000 0.000 0.268 419 I C 1.679 177.871 176.117 0.125 0.000 1.267 419 I CA 0.754 62.168 61.300 0.191 0.000 1.472 419 I CB -0.919 37.096 38.000 0.025 0.000 1.089 419 I HN -0.031 nan 8.210 nan 0.000 0.468 420 S N 1.715 117.501 115.700 0.144 0.000 2.442 420 S HA 0.040 4.510 4.470 -0.000 0.000 0.236 420 S C 1.049 175.738 174.600 0.149 0.000 1.007 420 S CA 0.354 58.613 58.200 0.099 0.000 0.965 420 S CB -0.923 62.331 63.200 0.090 0.000 0.773 420 S HN 0.448 nan 8.310 nan 0.000 0.504 421 L N 2.711 124.084 121.223 0.249 0.000 2.476 421 L HA 0.191 4.531 4.340 -0.000 0.000 0.264 421 L C 0.358 177.393 176.870 0.275 0.000 1.224 421 L CA -0.484 54.505 54.840 0.249 0.000 0.821 421 L CB -0.024 42.216 42.059 0.302 0.000 1.101 421 L HN 0.351 nan 8.230 nan 0.000 0.488 422 D N -0.767 119.752 120.400 0.199 0.000 2.372 422 D HA -0.054 4.586 4.640 -0.000 0.000 0.243 422 D C 0.805 177.261 176.300 0.260 0.000 1.121 422 D CA -0.434 53.688 54.000 0.202 0.000 0.898 422 D CB 0.534 41.406 40.800 0.120 0.000 1.202 422 D HN 0.342 nan 8.370 nan 0.000 0.428 423 F N 0.772 120.764 119.950 0.070 0.000 2.147 423 F HA -0.219 4.308 4.527 -0.000 0.000 0.301 423 F C 2.158 177.953 175.800 -0.008 0.000 1.084 423 F CA 1.689 59.650 58.000 -0.064 0.000 1.268 423 F CB -0.412 38.681 39.000 0.155 0.000 1.009 423 F HN 0.409 nan 8.300 nan 0.000 0.486 424 Q N -0.343 119.469 119.800 0.020 0.000 2.172 424 Q HA -0.068 4.272 4.340 -0.000 0.000 0.200 424 Q C 2.388 178.328 176.000 -0.100 0.000 0.964 424 Q CA 1.647 57.366 55.803 -0.141 0.000 0.855 424 Q CB -0.357 28.340 28.738 -0.069 0.000 0.918 424 Q HN 0.310 nan 8.270 nan 0.000 0.444 425 S N -0.739 114.963 115.700 0.004 0.000 2.383 425 S HA -0.122 4.348 4.470 -0.000 0.000 0.227 425 S C 1.473 176.100 174.600 0.046 0.000 1.026 425 S CA 0.881 59.098 58.200 0.027 0.000 0.981 425 S CB -0.410 62.834 63.200 0.074 0.000 0.818 425 S HN 0.534 nan 8.310 nan 0.000 0.472 426 Y N 2.241 122.503 120.300 -0.063 0.000 2.224 426 Y HA -0.043 4.507 4.550 -0.000 0.000 0.289 426 Y C 1.735 177.578 175.900 -0.094 0.000 1.146 426 Y CA 1.172 59.236 58.100 -0.059 0.000 1.182 426 Y CB -0.303 38.071 38.460 -0.142 0.000 0.983 426 Y HN 0.150 nan 8.280 nan 0.000 0.524 427 L N -0.215 120.915 121.223 -0.155 0.000 2.072 427 L HA -0.200 4.140 4.340 -0.000 0.000 0.205 427 L C 2.172 178.986 176.870 -0.093 0.000 1.079 427 L CA 1.048 55.799 54.840 -0.148 0.000 0.752 427 L CB -0.686 41.234 42.059 -0.232 0.000 0.906 427 L HN 0.179 nan 8.230 nan 0.000 0.436 428 N N 0.747 119.378 118.700 -0.116 0.000 2.069 428 N HA -0.191 4.549 4.740 -0.000 0.000 0.191 428 N C 1.956 177.436 175.510 -0.051 0.000 1.031 428 N CA 1.677 54.679 53.050 -0.078 0.000 0.852 428 N CB -0.491 37.954 38.487 -0.069 0.000 1.018 428 N HN 0.321 nan 8.380 nan 0.000 0.423 429 A N 1.440 124.221 122.820 -0.065 0.000 1.903 429 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 429 A C 2.424 179.970 177.584 -0.064 0.000 1.191 429 A CA 1.335 53.337 52.037 -0.059 0.000 0.638 429 A CB -0.899 18.059 19.000 -0.071 0.000 0.823 429 A HN 0.260 nan 8.150 nan 0.000 0.451 430 L N -1.640 119.515 121.223 -0.113 0.000 2.044 430 L HA -0.157 4.183 4.340 -0.000 0.000 0.205 430 L C 2.768 179.666 176.870 0.047 0.000 1.075 430 L CA 1.019 55.838 54.840 -0.034 0.000 0.747 430 L CB -0.447 41.609 42.059 -0.005 0.000 0.903 430 L HN 0.304 nan 8.230 nan 0.000 0.435 431 M N -0.233 119.401 119.600 0.057 0.000 2.279 431 M HA -0.172 4.308 4.480 -0.000 0.000 0.264 431 M C 2.069 178.401 176.300 0.054 0.000 1.062 431 M CA 1.586 56.927 55.300 0.068 0.000 1.099 431 M CB -0.831 31.815 32.600 0.075 0.000 1.394 431 M HN 0.175 nan 8.290 nan 0.000 0.426 432 K N 0.195 120.616 120.400 0.034 0.000 2.305 432 K HA 0.028 4.348 4.320 -0.000 0.000 0.199 432 K C 0.920 177.545 176.600 0.042 0.000 1.047 432 K CA 0.258 56.566 56.287 0.035 0.000 0.976 432 K CB -0.050 32.461 32.500 0.018 0.000 0.765 432 K HN 0.410 nan 8.250 nan 0.000 0.474 433 S N 1.303 117.029 115.700 0.044 0.000 2.558 433 S HA -0.112 4.358 4.470 -0.000 0.000 0.287 433 S C 1.131 175.763 174.600 0.053 0.000 1.321 433 S CA -0.042 58.190 58.200 0.053 0.000 1.048 433 S CB 1.224 64.467 63.200 0.071 0.000 0.844 433 S HN 0.336 nan 8.310 nan 0.000 0.512 434 E N 1.398 121.627 120.200 0.048 0.000 2.150 434 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 434 E C 1.678 178.306 176.600 0.047 0.000 0.985 434 E CA 1.324 57.739 56.400 0.024 0.000 0.814 434 E CB -0.097 29.613 29.700 0.017 0.000 0.752 434 E HN 0.873 nan 8.360 nan 0.000 0.466 435 E N 0.608 120.889 120.200 0.135 0.000 2.107 435 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 435 E C 2.016 178.729 176.600 0.189 0.000 0.982 435 E CA 0.728 57.289 56.400 0.268 0.000 0.809 435 E CB -0.585 29.270 29.700 0.258 0.000 0.756 435 E HN 0.270 nan 8.360 nan 0.000 0.459 436 M N 1.536 121.202 119.600 0.110 0.000 2.082 436 M HA -0.142 4.338 4.480 -0.000 0.000 0.258 436 M C 2.321 178.631 176.300 0.017 0.000 1.069 436 M CA 1.628 56.963 55.300 0.059 0.000 1.102 436 M CB -0.283 32.345 32.600 0.047 0.000 1.336 436 M HN -0.052 nan 8.290 nan 0.000 0.404 437 R N -0.261 120.236 120.500 -0.005 0.000 2.097 437 R HA -0.165 4.175 4.340 -0.000 0.000 0.236 437 R C 2.176 178.293 176.300 -0.306 0.000 1.135 437 R CA 2.350 58.380 56.100 -0.118 0.000 0.934 437 R CB -0.700 29.524 30.300 -0.126 0.000 0.846 437 R HN 0.475 nan 8.270 nan 0.000 0.431 438 I N 0.320 120.712 120.570 -0.297 0.000 2.286 438 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 438 I C 2.245 178.239 176.117 -0.204 0.000 1.115 438 I CA 1.230 62.274 61.300 -0.427 0.000 1.392 438 I CB -0.263 37.212 38.000 -0.874 0.000 1.065 438 I HN 0.192 nan 8.210 nan 0.000 0.418 439 I N 0.080 120.646 120.570 -0.006 0.000 2.252 439 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 439 I C 2.668 178.768 176.117 -0.029 0.000 1.102 439 I CA 1.457 62.797 61.300 0.066 0.000 1.385 439 I CB -0.227 37.844 38.000 0.117 0.000 1.064 439 I HN 0.178 nan 8.210 nan 0.000 0.414 440 M N -0.359 119.221 119.600 -0.034 0.000 2.073 440 M HA -0.270 4.210 4.480 -0.000 0.000 0.258 440 M C 2.420 178.735 176.300 0.025 0.000 1.070 440 M CA 2.180 57.491 55.300 0.019 0.000 1.103 440 M CB -0.524 32.160 32.600 0.139 0.000 1.321 440 M HN 0.275 nan 8.290 nan 0.000 0.405 441 F N 1.160 120.995 119.950 -0.192 0.000 2.075 441 F HA -0.202 4.324 4.527 -0.000 0.000 0.297 441 F C 1.857 177.589 175.800 -0.115 0.000 1.113 441 F CA 1.627 59.538 58.000 -0.148 0.000 1.218 441 F CB -0.589 38.150 39.000 -0.434 0.000 0.984 441 F HN -0.007 nan 8.300 nan 0.000 0.472 442 L N 0.527 121.417 121.223 -0.555 0.000 2.127 442 L HA -0.261 4.079 4.340 -0.000 0.000 0.211 442 L C 2.153 178.773 176.870 -0.416 0.000 1.089 442 L CA 1.164 55.644 54.840 -0.601 0.000 0.757 442 L CB -0.947 40.981 42.059 -0.219 0.000 0.899 442 L HN 0.210 nan 8.230 nan 0.000 0.434 443 N N 0.057 118.604 118.700 -0.255 0.000 2.334 443 N HA -0.171 4.569 4.740 -0.000 0.000 0.187 443 N C 1.597 176.964 175.510 -0.237 0.000 1.016 443 N CA 1.281 54.232 53.050 -0.165 0.000 0.879 443 N CB -0.110 38.337 38.487 -0.066 0.000 0.965 443 N HN 0.436 nan 8.380 nan 0.000 0.438 444 M N -0.986 118.397 119.600 -0.361 0.000 2.561 444 M HA 0.049 4.529 4.480 -0.000 0.000 0.238 444 M C 0.946 177.118 176.300 -0.214 0.000 1.131 444 M CA 0.576 55.650 55.300 -0.376 0.000 1.046 444 M CB 0.292 32.673 32.600 -0.366 0.000 1.532 444 M HN -0.047 nan 8.290 nan 0.000 0.497 445 T N 0.550 114.940 114.554 -0.274 0.000 3.038 445 T HA 0.272 4.622 4.350 -0.000 0.000 0.244 445 T C 0.837 175.515 174.700 -0.036 0.000 1.016 445 T CA -0.009 62.003 62.100 -0.147 0.000 1.098 445 T CB 0.266 68.925 68.868 -0.348 0.000 0.954 445 T HN 0.387 nan 8.240 nan 0.000 0.469 446 I N -0.354 120.168 120.570 -0.080 0.000 2.713 446 I HA 0.426 4.596 4.170 -0.000 0.000 0.300 446 I C 0.733 176.845 176.117 -0.008 0.000 1.009 446 I CA -0.662 60.620 61.300 -0.029 0.000 1.305 446 I CB 0.917 38.895 38.000 -0.036 0.000 1.430 446 I HN -0.204 nan 8.210 nan 0.000 0.546 447 D N 2.329 122.735 120.400 0.010 0.000 2.178 447 D HA -0.074 4.566 4.640 -0.000 0.000 0.201 447 D C 0.091 176.390 176.300 -0.002 0.000 0.980 447 D CA 1.621 55.629 54.000 0.013 0.000 0.842 447 D CB 0.187 40.998 40.800 0.020 0.000 0.948 447 D HN 0.547 nan 8.370 nan 0.000 0.472 448 K N 1.059 121.457 120.400 -0.004 0.000 2.646 448 K HA 0.321 4.641 4.320 -0.000 0.000 0.210 448 K C -2.718 173.891 176.600 0.014 0.000 1.020 448 K CA -1.571 54.715 56.287 -0.001 0.000 1.040 448 K CB 2.078 34.583 32.500 0.009 0.000 1.253 448 K HN -0.162 nan 8.250 nan 0.000 0.532 449 P HA -0.144 nan 4.420 nan 0.000 0.261 449 P C -0.173 177.227 177.300 0.168 0.000 1.165 449 P CA 0.612 63.763 63.100 0.085 0.000 0.759 449 P CB 0.522 32.292 31.700 0.116 0.000 0.772 450 S N 2.609 118.379 115.700 0.116 0.000 2.578 450 S HA 0.619 5.089 4.470 -0.000 0.000 0.301 450 S C 0.367 174.963 174.600 -0.006 0.000 1.091 450 S CA -0.758 57.497 58.200 0.092 0.000 1.032 450 S CB 0.790 64.018 63.200 0.047 0.000 1.064 450 S HN 0.370 nan 8.310 nan 0.000 0.508 451 I N 0.966 121.502 120.570 -0.057 0.000 3.833 451 I HA 0.340 4.510 4.170 -0.000 0.000 0.328 451 I C 0.851 176.989 176.117 0.033 0.000 1.554 451 I CA -0.415 60.808 61.300 -0.129 0.000 1.116 451 I CB -0.088 37.665 38.000 -0.411 0.000 1.182 451 I HN 0.517 nan 8.210 nan 0.000 0.459 452 L N 0.412 121.653 121.223 0.030 0.000 1.989 452 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 452 L C 2.630 179.527 176.870 0.045 0.000 1.071 452 L CA 1.705 56.564 54.840 0.032 0.000 0.749 452 L CB -0.631 41.440 42.059 0.021 0.000 0.890 452 L HN 0.350 nan 8.230 nan 0.000 0.431 453 S N -0.288 115.446 115.700 0.056 0.000 2.387 453 S HA -0.228 4.242 4.470 -0.000 0.000 0.230 453 S C 1.740 176.402 174.600 0.103 0.000 1.035 453 S CA 1.629 59.876 58.200 0.078 0.000 1.014 453 S CB -0.457 62.779 63.200 0.061 0.000 0.836 453 S HN 0.372 nan 8.310 nan 0.000 0.466 454 F N 2.202 122.121 119.950 -0.051 0.000 2.084 454 F HA -0.014 4.513 4.527 -0.000 0.000 0.296 454 F C 1.799 177.563 175.800 -0.060 0.000 1.111 454 F CA 1.217 59.165 58.000 -0.086 0.000 1.224 454 F CB -0.519 38.383 39.000 -0.164 0.000 0.991 454 F HN 0.075 nan 8.300 nan 0.000 0.471 455 L N 0.159 121.290 121.223 -0.153 0.000 2.127 455 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 455 L C 2.571 179.374 176.870 -0.111 0.000 1.089 455 L CA 1.725 56.448 54.840 -0.195 0.000 0.757 455 L CB -0.799 41.239 42.059 -0.036 0.000 0.899 455 L HN 0.302 nan 8.230 nan 0.000 0.434 456 E N 0.386 120.553 120.200 -0.055 0.000 2.031 456 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 456 E C 2.258 178.791 176.600 -0.111 0.000 0.994 456 E CA 1.224 57.636 56.400 0.020 0.000 0.800 456 E CB -0.006 29.746 29.700 0.087 0.000 0.752 456 E HN 0.442 nan 8.360 nan 0.000 0.447 457 A N 1.300 123.900 122.820 -0.368 0.000 1.884 457 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 457 A C 2.149 179.632 177.584 -0.167 0.000 1.197 457 A CA 1.600 53.218 52.037 -0.698 0.000 0.637 457 A CB -0.891 17.748 19.000 -0.601 0.000 0.827 457 A HN 0.321 nan 8.150 nan 0.000 0.450 458 L N -2.056 119.052 121.223 -0.192 0.000 2.043 458 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 458 L C 2.375 179.412 176.870 0.279 0.000 1.075 458 L CA 2.303 57.179 54.840 0.060 0.000 0.752 458 L CB -1.072 40.874 42.059 -0.188 0.000 0.891 458 L HN 0.639 nan 8.230 nan 0.000 0.432 459 Y N -0.034 120.287 120.300 0.035 0.000 2.243 459 Y HA -0.107 4.443 4.550 -0.000 0.000 0.293 459 Y C 2.422 178.337 175.900 0.024 0.000 1.124 459 Y CA 1.217 59.332 58.100 0.026 0.000 1.159 459 Y CB -0.004 38.454 38.460 -0.003 0.000 1.008 459 Y HN 0.174 nan 8.280 nan 0.000 0.527 460 E N -0.476 119.720 120.200 -0.007 0.000 2.209 460 E HA -0.272 4.078 4.350 -0.000 0.000 0.196 460 E C 1.895 178.454 176.600 -0.068 0.000 0.993 460 E CA 1.386 57.761 56.400 -0.042 0.000 0.819 460 E CB -0.744 29.041 29.700 0.141 0.000 0.745 460 E HN 0.645 nan 8.360 nan 0.000 0.477 461 Y N 1.150 121.382 120.300 -0.114 0.000 2.133 461 Y HA -0.170 4.380 4.550 -0.000 0.000 0.287 461 Y C 2.349 178.167 175.900 -0.137 0.000 1.134 461 Y CA 1.631 59.609 58.100 -0.203 0.000 1.133 461 Y CB -0.390 37.909 38.460 -0.267 0.000 0.987 461 Y HN 0.016 nan 8.280 nan 0.000 0.502 462 A N 0.673 123.460 122.820 -0.056 0.000 1.845 462 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 462 A C 2.332 179.708 177.584 -0.348 0.000 1.195 462 A CA 1.923 53.774 52.037 -0.309 0.000 0.616 462 A CB -1.322 17.242 19.000 -0.726 0.000 0.832 462 A HN 0.566 nan 8.150 nan 0.000 0.443 463 I N 0.131 120.436 120.570 -0.442 0.000 2.182 463 I HA -0.378 3.792 4.170 -0.000 0.000 0.248 463 I C 2.381 178.330 176.117 -0.279 0.000 1.073 463 I CA 2.121 63.181 61.300 -0.400 0.000 1.335 463 I CB -0.385 37.271 38.000 -0.573 0.000 1.031 463 I HN 0.489 nan 8.210 nan 0.000 0.420 464 N N 1.249 119.769 118.700 -0.300 0.000 2.289 464 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 464 N C 0.792 176.148 175.510 -0.257 0.000 1.016 464 N CA 1.410 54.298 53.050 -0.270 0.000 0.872 464 N CB 0.033 38.315 38.487 -0.341 0.000 0.973 464 N HN 0.264 nan 8.380 nan 0.000 0.433 465 K N 0.114 120.352 120.400 -0.269 0.000 3.174 465 K HA 0.143 4.463 4.320 -0.000 0.000 0.207 465 K C 0.594 177.147 176.600 -0.078 0.000 1.190 465 K CA -0.191 55.989 56.287 -0.178 0.000 1.054 465 K CB 0.740 33.118 32.500 -0.204 0.000 1.154 465 K HN 0.052 nan 8.250 nan 0.000 0.495 466 K N 0.648 120.991 120.400 -0.095 0.000 2.103 466 K HA -0.106 4.214 4.320 -0.000 0.000 0.204 466 K C 1.774 178.376 176.600 0.003 0.000 1.052 466 K CA 1.663 57.918 56.287 -0.053 0.000 0.945 466 K CB 0.203 32.669 32.500 -0.056 0.000 0.722 466 K HN 0.236 nan 8.250 nan 0.000 0.443 467 S N 0.332 116.026 115.700 -0.010 0.000 2.442 467 S HA -0.113 4.357 4.470 -0.000 0.000 0.236 467 S C 1.174 175.792 174.600 0.029 0.000 1.007 467 S CA 0.981 59.186 58.200 0.008 0.000 0.965 467 S CB -0.120 63.071 63.200 -0.015 0.000 0.773 467 S HN 0.353 nan 8.310 nan 0.000 0.504 468 E N 0.457 120.683 120.200 0.044 0.000 2.444 468 E HA 0.280 4.630 4.350 -0.000 0.000 0.191 468 E C -0.666 176.098 176.600 0.273 0.000 1.041 468 E CA -0.144 56.326 56.400 0.117 0.000 0.883 468 E CB 0.106 29.831 29.700 0.042 0.000 1.024 468 E HN 0.525 nan 8.360 nan 0.000 0.470 469 L N 1.464 122.759 121.223 0.120 0.000 2.353 469 L HA 0.207 4.547 4.340 -0.000 0.000 0.269 469 L C 0.929 177.763 176.870 -0.060 0.000 1.085 469 L CA -0.160 54.674 54.840 -0.011 0.000 0.938 469 L CB 0.594 42.545 42.059 -0.179 0.000 1.312 469 L HN 0.042 nan 8.230 nan 0.000 0.429 470 T N -2.877 111.676 114.554 -0.001 0.000 3.040 470 T HA 0.087 4.437 4.350 -0.000 0.000 0.266 470 T C 0.574 175.244 174.700 -0.050 0.000 1.005 470 T CA -0.393 61.693 62.100 -0.023 0.000 0.906 470 T CB 0.063 68.951 68.868 0.033 0.000 1.082 470 T HN 0.351 nan 8.240 nan 0.000 0.531 471 N N 1.100 119.765 118.700 -0.059 0.000 2.438 471 N HA 0.205 4.945 4.740 -0.000 0.000 0.282 471 N C 0.726 176.151 175.510 -0.142 0.000 1.037 471 N CA -0.108 52.910 53.050 -0.054 0.000 0.942 471 N CB 2.030 40.531 38.487 0.023 0.000 1.136 471 N HN 0.154 nan 8.380 nan 0.000 0.481 472 S N 3.301 118.891 115.700 -0.184 0.000 2.368 472 S HA -0.073 4.397 4.470 -0.000 0.000 0.224 472 S C 1.632 176.020 174.600 -0.354 0.000 1.029 472 S CA 1.014 59.023 58.200 -0.318 0.000 0.988 472 S CB -0.402 62.556 63.200 -0.405 0.000 0.838 472 S HN 0.620 nan 8.310 nan 0.000 0.462 473 F N 2.423 122.287 119.950 -0.142 0.000 2.095 473 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 473 F C 2.428 178.142 175.800 -0.143 0.000 1.104 473 F CA 1.217 59.150 58.000 -0.112 0.000 1.232 473 F CB -0.651 38.367 39.000 0.030 0.000 0.987 473 F HN 0.095 nan 8.300 nan 0.000 0.475 474 D N 0.264 120.689 120.400 0.041 0.000 2.092 474 D HA -0.163 4.477 4.640 -0.000 0.000 0.193 474 D C 2.354 178.501 176.300 -0.254 0.000 0.994 474 D CA 1.017 54.946 54.000 -0.119 0.000 0.828 474 D CB -0.617 40.008 40.800 -0.291 0.000 0.963 474 D HN 0.000 nan 8.370 nan 0.000 0.450 475 L N 1.013 122.040 121.223 -0.328 0.000 1.971 475 L HA -0.164 4.176 4.340 -0.000 0.000 0.215 475 L C 2.451 179.091 176.870 -0.384 0.000 1.072 475 L CA 1.732 56.312 54.840 -0.433 0.000 0.758 475 L CB -1.557 40.160 42.059 -0.572 0.000 0.889 475 L HN -0.002 nan 8.230 nan 0.000 0.433 476 A N -1.617 120.912 122.820 -0.486 0.000 1.978 476 A HA -0.287 4.033 4.320 -0.000 0.000 0.220 476 A C 2.610 179.878 177.584 -0.527 0.000 1.170 476 A CA 1.797 53.323 52.037 -0.852 0.000 0.636 476 A CB -1.221 16.821 19.000 -1.596 0.000 0.810 476 A HN 0.631 nan 8.150 nan 0.000 0.448 477 C N -1.058 118.089 119.300 -0.256 0.000 2.508 477 C HA -0.024 4.436 4.460 -0.000 0.000 0.280 477 C C 2.742 177.730 174.990 -0.004 0.000 1.262 477 C CA 1.399 60.391 59.018 -0.044 0.000 1.706 477 C CB -1.262 26.542 27.740 0.106 0.000 2.078 477 C HN 0.740 nan 8.230 nan 0.000 0.480 478 V N 1.770 121.633 119.914 -0.085 0.000 2.407 478 V HA -0.137 3.983 4.120 -0.000 0.000 0.248 478 V C 2.274 178.396 176.094 0.046 0.000 1.055 478 V CA 2.498 64.775 62.300 -0.039 0.000 1.049 478 V CB -0.876 30.814 31.823 -0.221 0.000 0.662 478 V HN 0.688 nan 8.190 nan 0.000 0.455 479 L N 0.559 121.785 121.223 0.004 0.000 2.013 479 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 479 L C 2.868 179.780 176.870 0.070 0.000 1.073 479 L CA 2.265 57.142 54.840 0.061 0.000 0.753 479 L CB -0.886 41.208 42.059 0.058 0.000 0.890 479 L HN 0.392 nan 8.230 nan 0.000 0.432 480 S N -0.138 115.612 115.700 0.083 0.000 2.356 480 S HA -0.140 4.330 4.470 -0.000 0.000 0.223 480 S C 1.949 176.581 174.600 0.055 0.000 1.032 480 S CA 1.287 59.562 58.200 0.125 0.000 1.005 480 S CB -0.258 63.053 63.200 0.184 0.000 0.867 480 S HN 0.276 nan 8.310 nan 0.000 0.449 481 I N 1.844 122.437 120.570 0.039 0.000 2.118 481 I HA -0.279 3.891 4.170 -0.000 0.000 0.241 481 I C 2.791 178.788 176.117 -0.199 0.000 1.070 481 I CA 1.369 62.657 61.300 -0.020 0.000 1.327 481 I CB -0.908 37.135 38.000 0.071 0.000 1.034 481 I HN 0.279 nan 8.210 nan 0.000 0.405 482 A N 0.947 123.589 122.820 -0.296 0.000 1.917 482 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 482 A C 2.553 180.001 177.584 -0.227 0.000 1.182 482 A CA 2.272 54.024 52.037 -0.476 0.000 0.633 482 A CB -0.807 18.048 19.000 -0.241 0.000 0.819 482 A HN 0.496 nan 8.150 nan 0.000 0.448 483 A N -0.621 122.142 122.820 -0.094 0.000 1.898 483 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 483 A C 2.122 179.678 177.584 -0.047 0.000 1.181 483 A CA 1.474 53.486 52.037 -0.041 0.000 0.620 483 A CB -0.512 18.496 19.000 0.014 0.000 0.819 483 A HN 0.473 nan 8.150 nan 0.000 0.442 484 I N -0.272 120.271 120.570 -0.046 0.000 2.394 484 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 484 I C 1.797 177.881 176.117 -0.054 0.000 1.136 484 I CA 0.863 62.146 61.300 -0.028 0.000 1.425 484 I CB -0.011 37.990 38.000 0.002 0.000 1.079 484 I HN 0.257 nan 8.210 nan 0.000 0.425 485 L N 0.124 121.278 121.223 -0.116 0.000 2.610 485 L HA -0.019 4.321 4.340 -0.000 0.000 0.232 485 L C 0.556 177.367 176.870 -0.099 0.000 1.149 485 L CA 0.266 55.032 54.840 -0.124 0.000 0.872 485 L CB -0.416 41.509 42.059 -0.224 0.000 0.992 485 L HN 0.173 nan 8.230 nan 0.000 0.447 486 K N 0.934 121.283 120.400 -0.086 0.000 3.148 486 K HA -0.190 4.130 4.320 -0.000 0.000 0.267 486 K C -0.063 176.501 176.600 -0.059 0.000 0.996 486 K CA 0.548 56.803 56.287 -0.055 0.000 0.737 486 K CB -0.976 31.506 32.500 -0.029 0.000 1.308 486 K HN 0.321 nan 8.250 nan 0.000 0.470 487 R N 0.962 121.401 120.500 -0.102 0.000 2.589 487 R HA 0.142 4.482 4.340 -0.000 0.000 0.293 487 R C -0.614 175.666 176.300 -0.033 0.000 0.963 487 R CA -1.062 54.993 56.100 -0.075 0.000 0.905 487 R CB 0.969 31.179 30.300 -0.150 0.000 1.144 487 R HN 0.125 nan 8.270 nan 0.000 0.459 488 E N 1.339 121.546 120.200 0.011 0.000 3.471 488 E HA -0.101 4.248 4.350 -0.000 0.000 0.240 488 E C -0.634 175.991 176.600 0.043 0.000 0.916 488 E CA 0.495 56.911 56.400 0.026 0.000 0.943 488 E CB -0.272 29.450 29.700 0.037 0.000 0.889 488 E HN 0.507 nan 8.360 nan 0.000 0.575 489 A N 4.614 127.451 122.820 0.028 0.000 2.301 489 A HA 0.555 4.875 4.320 -0.000 0.000 0.312 489 A C -1.989 175.619 177.584 0.040 0.000 1.182 489 A CA -1.649 50.417 52.037 0.049 0.000 0.826 489 A CB 0.347 19.371 19.000 0.040 0.000 1.134 489 A HN 0.398 nan 8.150 nan 0.000 0.501 490 P HA 0.318 nan 4.420 nan 0.000 0.269 490 P C -0.893 176.354 177.300 -0.089 0.000 1.215 490 P CA 0.110 63.178 63.100 -0.054 0.000 0.780 490 P CB 0.345 32.044 31.700 -0.001 0.000 0.898 491 I N 2.235 122.662 120.570 -0.239 0.000 2.330 491 I HA 0.302 4.472 4.170 -0.000 0.000 0.289 491 I C -0.475 175.482 176.117 -0.266 0.000 1.001 491 I CA -0.441 60.770 61.300 -0.148 0.000 1.193 491 I CB 0.425 38.362 38.000 -0.105 0.000 1.345 491 I HN 0.285 nan 8.210 nan 0.000 0.461 492 Y N 4.399 124.702 120.300 0.006 0.000 2.446 492 Y HA 0.410 4.960 4.550 -0.000 0.000 0.345 492 Y C 0.403 176.308 175.900 0.007 0.000 0.984 492 Y CA -0.865 57.234 58.100 -0.002 0.000 1.058 492 Y CB 1.834 40.284 38.460 -0.017 0.000 1.220 492 Y HN 0.418 nan 8.280 nan 0.000 0.455 493 N N 2.041 120.847 118.700 0.178 0.000 2.990 493 N HA 0.404 5.144 4.740 -0.000 0.000 0.288 493 N C -0.344 175.214 175.510 0.080 0.000 1.624 493 N CA -0.110 53.001 53.050 0.102 0.000 0.961 493 N CB 1.113 39.636 38.487 0.061 0.000 1.259 493 N HN 0.960 nan 8.380 nan 0.000 0.489 494 G N -0.885 107.963 108.800 0.080 0.000 2.753 494 G HA2 0.556 4.516 3.960 -0.000 0.000 0.303 494 G HA3 0.556 4.516 3.960 -0.000 0.000 0.303 494 G C -1.169 173.762 174.900 0.053 0.000 1.242 494 G CA -0.340 44.788 45.100 0.047 0.000 0.810 494 G HN 0.123 nan 8.290 nan 0.000 0.515 495 T N -1.223 113.347 114.554 0.026 0.000 2.901 495 T HA 0.636 4.986 4.350 -0.000 0.000 0.293 495 T C -1.471 173.233 174.700 0.007 0.000 1.084 495 T CA -0.592 61.542 62.100 0.056 0.000 1.008 495 T CB 2.196 71.093 68.868 0.048 0.000 1.170 495 T HN 0.627 nan 8.240 nan 0.000 0.509 496 L N 2.277 123.560 121.223 0.099 0.000 2.298 496 L HA 0.665 5.005 4.340 -0.000 0.000 0.284 496 L C -0.991 175.931 176.870 0.086 0.000 1.013 496 L CA -1.147 53.689 54.840 -0.007 0.000 0.824 496 L CB 0.816 42.918 42.059 0.072 0.000 1.221 496 L HN 0.729 nan 8.230 nan 0.000 0.418 497 L N 5.896 127.084 121.223 -0.059 0.000 2.275 497 L HA 0.695 5.035 4.340 -0.000 0.000 0.288 497 L C -0.785 176.112 176.870 0.046 0.000 1.046 497 L CA 0.096 54.945 54.840 0.016 0.000 0.805 497 L CB 1.094 43.143 42.059 -0.017 0.000 1.193 497 L HN 0.820 nan 8.230 nan 0.000 0.426 498 M N 5.860 125.563 119.600 0.171 0.000 2.326 498 M HA 0.511 4.991 4.480 -0.000 0.000 0.292 498 M C -1.486 174.897 176.300 0.138 0.000 1.081 498 M CA -0.521 54.927 55.300 0.246 0.000 0.919 498 M CB 1.512 34.346 32.600 0.389 0.000 1.634 498 M HN 0.782 nan 8.290 nan 0.000 0.451 499 K N 2.721 123.174 120.400 0.089 0.000 2.400 499 K HA 0.675 4.995 4.320 -0.000 0.000 0.246 499 K C -1.514 175.070 176.600 -0.028 0.000 0.995 499 K CA -0.998 55.302 56.287 0.021 0.000 0.840 499 K CB 2.200 34.709 32.500 0.015 0.000 1.293 499 K HN 0.736 nan 8.250 nan 0.000 0.445 500 N N 0.386 119.054 118.700 -0.055 0.000 2.308 500 N HA -0.005 4.735 4.740 -0.000 0.000 0.283 500 N C 0.041 175.448 175.510 -0.173 0.000 1.105 500 N CA -0.401 52.569 53.050 -0.133 0.000 0.840 500 N CB 2.342 40.739 38.487 -0.151 0.000 1.633 500 N HN 0.646 nan 8.380 nan 0.000 0.476 501 S N 1.220 116.760 115.700 -0.268 0.000 2.511 501 S HA -0.245 4.225 4.470 -0.000 0.000 0.282 501 S C 0.746 175.276 174.600 -0.117 0.000 1.179 501 S CA 2.526 60.573 58.200 -0.255 0.000 1.125 501 S CB -0.662 62.309 63.200 -0.382 0.000 1.035 501 S HN 0.606 nan 8.310 nan 0.000 0.452 502 F N -0.530 119.422 119.950 0.003 0.000 2.749 502 F HA 0.771 5.298 4.527 -0.000 0.000 0.380 502 F C -0.721 175.081 175.800 0.004 0.000 1.365 502 F CA -1.467 56.538 58.000 0.008 0.000 1.186 502 F CB -0.044 38.966 39.000 0.017 0.000 1.080 502 F HN 0.010 nan 8.300 nan 0.000 0.513 503 L N 2.359 123.737 121.223 0.257 0.000 2.830 503 L HA 0.370 4.710 4.340 -0.000 0.000 0.259 503 L C -1.461 175.445 176.870 0.060 0.000 0.926 503 L CA -0.724 54.217 54.840 0.167 0.000 0.993 503 L CB 2.123 44.296 42.059 0.190 0.000 1.589 503 L HN 0.590 nan 8.230 nan 0.000 0.460 504 E N 3.212 123.440 120.200 0.047 0.000 2.293 504 E HA 0.831 5.181 4.350 -0.000 0.000 0.270 504 E C -1.384 175.223 176.600 0.012 0.000 0.879 504 E CA -0.796 55.617 56.400 0.023 0.000 0.756 504 E CB 3.156 32.872 29.700 0.026 0.000 1.208 504 E HN 0.374 nan 8.360 nan 0.000 0.428 505 E N 1.686 121.878 120.200 -0.013 0.000 2.321 505 E HA 0.228 4.578 4.350 -0.000 0.000 0.281 505 E C -1.236 175.258 176.600 -0.177 0.000 0.910 505 E CA -0.718 55.619 56.400 -0.105 0.000 0.770 505 E CB 2.264 31.888 29.700 -0.127 0.000 1.225 505 E HN 0.694 nan 8.360 nan 0.000 0.417 506 T N 0.370 114.777 114.554 -0.245 0.000 2.943 506 T HA 0.763 5.113 4.350 -0.000 0.000 0.284 506 T C -0.837 173.631 174.700 -0.387 0.000 1.015 506 T CA -0.273 61.734 62.100 -0.155 0.000 1.042 506 T CB 0.440 69.282 68.868 -0.042 0.000 1.055 506 T HN 0.294 nan 8.240 nan 0.000 0.500 507 F N 1.553 121.570 119.950 0.112 0.000 2.581 507 F HA 0.443 4.970 4.527 -0.000 0.000 0.311 507 F C 0.277 176.167 175.800 0.150 0.000 1.113 507 F CA -1.244 56.835 58.000 0.132 0.000 0.935 507 F CB 1.940 41.065 39.000 0.208 0.000 1.232 507 F HN 0.473 nan 8.300 nan 0.000 0.445 508 N N 2.914 121.780 118.700 0.278 0.000 2.530 508 N HA 0.246 4.986 4.740 -0.000 0.000 0.273 508 N C 1.128 176.829 175.510 0.318 0.000 1.173 508 N CA -0.109 53.074 53.050 0.221 0.000 0.967 508 N CB 1.357 39.926 38.487 0.138 0.000 1.109 508 N HN 0.684 nan 8.380 nan 0.000 0.453 509 L N 1.528 122.907 121.223 0.259 0.000 2.127 509 L HA -0.210 4.130 4.340 -0.000 0.000 0.211 509 L C 1.810 178.862 176.870 0.302 0.000 1.089 509 L CA 1.221 56.233 54.840 0.287 0.000 0.757 509 L CB -0.183 41.957 42.059 0.135 0.000 0.899 509 L HN 0.548 nan 8.230 nan 0.000 0.434 510 E N 0.403 120.726 120.200 0.205 0.000 2.026 510 E HA -0.259 4.091 4.350 -0.000 0.000 0.206 510 E C 2.169 178.869 176.600 0.166 0.000 1.028 510 E CA 2.113 58.608 56.400 0.159 0.000 0.845 510 E CB -0.266 29.496 29.700 0.104 0.000 0.772 510 E HN 0.477 nan 8.360 nan 0.000 0.462 511 S N 0.051 115.823 115.700 0.120 0.000 2.520 511 S HA -0.178 4.292 4.470 -0.000 0.000 0.249 511 S C 1.497 176.034 174.600 -0.106 0.000 0.983 511 S CA 0.781 58.988 58.200 0.012 0.000 0.958 511 S CB -0.630 62.568 63.200 -0.003 0.000 0.750 511 S HN 0.182 nan 8.310 nan 0.000 0.527 512 F N 2.789 122.776 119.950 0.060 0.000 2.722 512 F HA 0.025 4.552 4.527 -0.000 0.000 0.298 512 F C 2.335 178.152 175.800 0.029 0.000 1.175 512 F CA 1.037 59.055 58.000 0.031 0.000 1.462 512 F CB -0.532 38.477 39.000 0.015 0.000 1.111 512 F HN 0.390 nan 8.300 nan 0.000 0.592 513 T N -4.511 110.128 114.554 0.141 0.000 2.975 513 T HA 0.366 4.716 4.350 -0.000 0.000 0.257 513 T C 2.065 176.794 174.700 0.048 0.000 1.003 513 T CA 0.440 62.595 62.100 0.092 0.000 0.932 513 T CB -0.115 68.802 68.868 0.082 0.000 1.087 513 T HN 0.081 nan 8.240 nan 0.000 0.512 514 A N 2.047 124.885 122.820 0.030 0.000 1.873 514 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 514 A C 1.141 178.729 177.584 0.007 0.000 1.193 514 A CA 1.531 53.575 52.037 0.012 0.000 0.629 514 A CB -0.435 18.564 19.000 -0.000 0.000 0.826 514 A HN 0.541 nan 8.150 nan 0.000 0.447 515 D N -2.641 117.760 120.400 0.001 0.000 2.780 515 D HA 0.312 4.952 4.640 -0.000 0.000 0.242 515 D C -2.245 174.065 176.300 0.016 0.000 1.135 515 D CA -1.676 52.327 54.000 0.004 0.000 0.859 515 D CB 1.956 42.752 40.800 -0.005 0.000 1.530 515 D HN -0.035 nan 8.370 nan 0.000 0.493 516 P HA -0.064 nan 4.420 nan 0.000 0.221 516 P C 0.731 178.056 177.300 0.041 0.000 1.150 516 P CA 0.943 64.064 63.100 0.036 0.000 0.800 516 P CB 0.939 32.657 31.700 0.031 0.000 0.787 517 E N -0.156 120.061 120.200 0.029 0.000 2.127 517 E HA 0.013 4.363 4.350 -0.000 0.000 0.191 517 E C 0.983 177.602 176.600 0.032 0.000 0.964 517 E CA 0.881 57.298 56.400 0.029 0.000 0.832 517 E CB 0.025 29.735 29.700 0.017 0.000 0.790 517 E HN 0.305 nan 8.360 nan 0.000 0.465 518 T N -2.545 112.020 114.554 0.018 0.000 2.906 518 T HA 0.634 4.984 4.350 -0.000 0.000 0.295 518 T C -0.983 173.705 174.700 -0.019 0.000 1.075 518 T CA -0.915 61.197 62.100 0.019 0.000 1.005 518 T CB 1.723 70.596 68.868 0.009 0.000 1.136 518 T HN -0.076 nan 8.240 nan 0.000 0.498 519 V N 1.076 120.974 119.914 -0.028 0.000 2.735 519 V HA 0.739 4.859 4.120 -0.000 0.000 0.310 519 V C -0.556 175.578 176.094 0.067 0.000 1.061 519 V CA -0.266 61.959 62.300 -0.124 0.000 0.913 519 V CB 2.225 33.733 31.823 -0.527 0.000 1.005 519 V HN 1.215 nan 8.190 nan 0.000 0.428 520 T N 4.673 119.270 114.554 0.072 0.000 2.824 520 T HA 0.516 4.866 4.350 -0.000 0.000 0.280 520 T C -0.038 174.806 174.700 0.241 0.000 0.995 520 T CA 0.018 62.188 62.100 0.116 0.000 1.009 520 T CB 1.290 70.158 68.868 -0.000 0.000 0.955 520 T HN 1.093 nan 8.240 nan 0.000 0.452 521 S N 1.761 117.534 115.700 0.122 0.000 2.652 521 S HA 0.214 4.684 4.470 -0.000 0.000 0.270 521 S C 1.727 176.241 174.600 -0.143 0.000 1.243 521 S CA -0.315 57.745 58.200 -0.234 0.000 0.999 521 S CB 1.074 64.019 63.200 -0.426 0.000 0.973 521 S HN 0.676 nan 8.310 nan 0.000 0.544 522 T N 0.994 115.428 114.554 -0.199 0.000 2.721 522 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 522 T C 1.395 176.050 174.700 -0.076 0.000 1.038 522 T CA 2.338 64.376 62.100 -0.104 0.000 1.145 522 T CB -1.335 67.467 68.868 -0.110 0.000 0.858 522 T HN 0.900 nan 8.240 nan 0.000 0.459 523 T N -0.445 114.058 114.554 -0.085 0.000 3.188 523 T HA 0.214 4.564 4.350 -0.000 0.000 0.250 523 T C 0.824 175.492 174.700 -0.054 0.000 1.077 523 T CA 0.474 62.545 62.100 -0.048 0.000 0.967 523 T CB -0.405 68.450 68.868 -0.021 0.000 1.006 523 T HN 0.500 nan 8.240 nan 0.000 0.552 524 N N 1.459 120.117 118.700 -0.071 0.000 2.818 524 N HA -0.160 4.580 4.740 -0.000 0.000 0.250 524 N C -1.362 174.063 175.510 -0.142 0.000 1.108 524 N CA 0.366 53.366 53.050 -0.084 0.000 0.745 524 N CB -1.821 36.628 38.487 -0.064 0.000 1.104 524 N HN 0.489 nan 8.380 nan 0.000 0.557 525 N N 0.217 118.803 118.700 -0.191 0.000 2.419 525 N HA 0.207 4.947 4.740 -0.000 0.000 0.277 525 N C -0.434 174.690 175.510 -0.644 0.000 1.006 525 N CA -0.103 52.679 53.050 -0.446 0.000 0.923 525 N CB 1.645 39.830 38.487 -0.503 0.000 1.140 525 N HN 0.293 nan 8.380 nan 0.000 0.488 526 T N 1.697 115.867 114.554 -0.640 0.000 2.799 526 T HA 0.541 4.891 4.350 -0.000 0.000 0.286 526 T C -0.937 173.415 174.700 -0.580 0.000 0.973 526 T CA -0.510 61.316 62.100 -0.457 0.000 1.035 526 T CB 0.250 68.993 68.868 -0.209 0.000 0.932 526 T HN 0.377 nan 8.240 nan 0.000 0.469 527 W N 3.222 124.589 121.300 0.112 0.000 2.736 527 W HA 0.603 5.263 4.660 -0.000 0.000 0.355 527 W C 0.309 176.857 176.519 0.048 0.000 1.102 527 W CA -1.261 56.143 57.345 0.098 0.000 1.164 527 W CB 1.177 30.734 29.460 0.161 0.000 1.422 527 W HN 0.494 nan 8.180 nan 0.000 0.572 528 K N 1.109 121.686 120.400 0.295 0.000 2.102 528 K HA 0.550 4.870 4.320 -0.000 0.000 0.244 528 K C -0.070 176.619 176.600 0.150 0.000 1.021 528 K CA -0.763 55.623 56.287 0.164 0.000 0.913 528 K CB 0.631 33.209 32.500 0.129 0.000 1.062 528 K HN 0.334 nan 8.250 nan 0.000 0.485 529 R N -0.442 120.119 120.500 0.101 0.000 2.758 529 R HA 0.191 4.531 4.340 -0.000 0.000 0.265 529 R C 0.969 177.322 176.300 0.090 0.000 1.016 529 R CA -0.621 55.538 56.100 0.098 0.000 1.040 529 R CB 1.088 31.445 30.300 0.094 0.000 1.152 529 R HN 0.773 nan 8.270 nan 0.000 0.503 530 C N 0.477 119.834 119.300 0.095 0.000 2.446 530 C HA 0.071 4.531 4.460 -0.000 0.000 0.277 530 C C 1.821 176.863 174.990 0.086 0.000 1.275 530 C CA 1.500 60.565 59.018 0.078 0.000 1.727 530 C CB -1.390 26.391 27.740 0.068 0.000 2.010 530 C HN 1.073 nan 8.230 nan 0.000 0.486 531 G N -0.688 108.181 108.800 0.115 0.000 2.267 531 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.257 531 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.257 531 G C 0.901 175.917 174.900 0.193 0.000 0.998 531 G CA 0.800 46.007 45.100 0.177 0.000 0.620 531 G HN 0.661 nan 8.290 nan 0.000 0.529 532 V N -0.435 119.540 119.914 0.101 0.000 2.922 532 V HA 0.170 4.290 4.120 -0.000 0.000 0.242 532 V C 2.462 178.595 176.094 0.064 0.000 1.094 532 V CA 2.422 64.747 62.300 0.043 0.000 1.106 532 V CB 0.512 32.343 31.823 0.013 0.000 0.799 532 V HN 0.360 nan 8.190 nan 0.000 0.474 533 T N -1.022 113.571 114.554 0.066 0.000 3.023 533 T HA 0.266 4.616 4.350 -0.000 0.000 0.249 533 T C 1.269 176.037 174.700 0.114 0.000 1.050 533 T CA 0.434 62.578 62.100 0.072 0.000 1.088 533 T CB 0.188 69.070 68.868 0.024 0.000 0.946 533 T HN 0.248 nan 8.240 nan 0.000 0.480 534 L N -0.773 120.524 121.223 0.122 0.000 5.174 534 L HA -0.165 4.175 4.340 -0.000 0.000 0.420 534 L C -0.244 176.742 176.870 0.192 0.000 0.973 534 L CA -0.220 54.709 54.840 0.148 0.000 1.381 534 L CB -1.605 40.546 42.059 0.153 0.000 1.819 534 L HN 0.231 nan 8.230 nan 0.000 0.645 535 L N 1.704 123.034 121.223 0.178 0.000 2.506 535 L HA 0.153 4.493 4.340 -0.000 0.000 0.281 535 L C -1.464 175.499 176.870 0.155 0.000 1.228 535 L CA -0.723 54.249 54.840 0.220 0.000 0.850 535 L CB -0.427 41.757 42.059 0.209 0.000 1.110 535 L HN -0.233 nan 8.230 nan 0.000 0.496 536 P HA -0.031 nan 4.420 nan 0.000 0.260 536 P C 0.255 177.586 177.300 0.053 0.000 1.185 536 P CA 0.155 63.246 63.100 -0.016 0.000 0.763 536 P CB 0.071 31.575 31.700 -0.327 0.000 0.776 537 I N 5.897 126.524 120.570 0.095 0.000 2.577 537 I HA 0.017 4.187 4.170 -0.000 0.000 0.299 537 I C -0.554 175.575 176.117 0.021 0.000 1.157 537 I CA 0.590 61.937 61.300 0.078 0.000 1.418 537 I CB -0.833 37.228 38.000 0.102 0.000 1.467 537 I HN 0.295 nan 8.210 nan 0.000 0.624 538 L N 6.669 127.876 121.223 -0.028 0.000 2.367 538 L HA 0.056 4.396 4.340 -0.000 0.000 0.263 538 L C 0.423 177.262 176.870 -0.051 0.000 1.533 538 L CA -0.081 54.688 54.840 -0.117 0.000 0.761 538 L CB 1.136 42.976 42.059 -0.366 0.000 0.943 538 L HN 0.472 nan 8.230 nan 0.000 0.526 539 T N -1.200 113.340 114.554 -0.023 0.000 3.523 539 T HA 0.175 4.525 4.350 -0.000 0.000 0.216 539 T C 1.129 175.772 174.700 -0.095 0.000 0.922 539 T CA 1.704 63.785 62.100 -0.032 0.000 1.558 539 T CB 0.519 69.383 68.868 -0.007 0.000 1.424 539 T HN 0.437 nan 8.240 nan 0.000 0.452 540 T N -0.007 114.483 114.554 -0.106 0.000 3.491 540 T HA 0.245 4.595 4.350 -0.000 0.000 0.284 540 T C 0.028 174.735 174.700 0.012 0.000 0.905 540 T CA 0.005 62.022 62.100 -0.138 0.000 1.017 540 T CB 0.166 68.919 68.868 -0.192 0.000 1.202 540 T HN 0.825 nan 8.240 nan 0.000 0.518 541 H N 0.035 119.091 119.070 -0.025 0.000 2.948 541 H HA 0.728 5.284 4.556 -0.000 0.000 0.315 541 H C -1.942 173.392 175.328 0.009 0.000 1.360 541 H CA -1.061 54.991 56.048 0.007 0.000 1.125 541 H CB 1.611 31.383 29.762 0.016 0.000 1.844 541 H HN 0.167 nan 8.280 nan 0.000 0.529 542 V N -0.704 119.389 119.914 0.299 0.000 2.888 542 V HA 0.525 4.645 4.120 -0.000 0.000 0.309 542 V C -0.501 175.696 176.094 0.171 0.000 1.114 542 V CA -1.155 61.242 62.300 0.162 0.000 0.940 542 V CB 1.953 33.839 31.823 0.104 0.000 1.021 542 V HN 0.732 nan 8.190 nan 0.000 0.426 543 K N 3.238 123.707 120.400 0.115 0.000 2.090 543 K HA 0.730 5.050 4.320 -0.000 0.000 0.249 543 K C -1.056 175.577 176.600 0.054 0.000 0.995 543 K CA -0.694 55.645 56.287 0.088 0.000 0.914 543 K CB 2.179 34.725 32.500 0.077 0.000 1.057 543 K HN 0.650 nan 8.250 nan 0.000 0.462 544 I N 0.968 121.560 120.570 0.038 0.000 2.533 544 I HA 0.090 4.260 4.170 -0.000 0.000 0.290 544 I C -0.235 175.884 176.117 0.003 0.000 1.056 544 I CA -0.955 60.353 61.300 0.013 0.000 1.057 544 I CB 2.020 40.027 38.000 0.011 0.000 1.240 544 I HN 0.656 nan 8.210 nan 0.000 0.423 545 C N 8.584 127.870 119.300 -0.024 0.000 2.566 545 C HA 0.267 4.727 4.460 -0.000 0.000 0.393 545 C C -1.143 173.810 174.990 -0.061 0.000 1.309 545 C CA -1.099 57.895 59.018 -0.040 0.000 1.801 545 C CB 0.174 27.877 27.740 -0.062 0.000 2.493 545 C HN 0.583 nan 8.230 nan 0.000 0.575 546 P HA -0.048 nan 4.420 nan 0.000 0.226 546 P C 1.283 178.553 177.300 -0.050 0.000 1.153 546 P CA 0.919 64.012 63.100 -0.011 0.000 0.777 546 P CB 0.106 31.824 31.700 0.029 0.000 0.794 547 V N 0.082 119.853 119.914 -0.238 0.000 2.391 547 V HA -0.106 4.014 4.120 -0.000 0.000 0.237 547 V C 2.528 178.388 176.094 -0.390 0.000 1.046 547 V CA 2.129 64.062 62.300 -0.612 0.000 1.053 547 V CB -1.473 29.851 31.823 -0.831 0.000 0.704 547 V HN 0.193 nan 8.190 nan 0.000 0.475 548 S N -0.677 114.839 115.700 -0.307 0.000 2.428 548 S HA -0.169 4.301 4.470 -0.000 0.000 0.230 548 S C 1.372 175.835 174.600 -0.227 0.000 1.014 548 S CA 1.219 59.247 58.200 -0.287 0.000 0.957 548 S CB -0.196 62.741 63.200 -0.438 0.000 0.784 548 S HN 0.444 nan 8.310 nan 0.000 0.499 549 K N -0.828 119.467 120.400 -0.174 0.000 3.547 549 K HA -0.161 4.159 4.320 -0.000 0.000 0.309 549 K C 0.008 176.527 176.600 -0.134 0.000 1.324 549 K CA 1.127 57.347 56.287 -0.112 0.000 0.988 549 K CB -2.036 30.425 32.500 -0.066 0.000 1.261 549 K HN 0.587 nan 8.250 nan 0.000 0.444 550 Q N 1.027 120.682 119.800 -0.241 0.000 2.283 550 Q HA 0.076 4.416 4.340 -0.000 0.000 0.301 550 Q C -0.612 175.322 176.000 -0.110 0.000 1.063 550 Q CA 1.054 56.706 55.803 -0.251 0.000 0.952 550 Q CB 0.496 28.906 28.738 -0.546 0.000 1.166 550 Q HN 0.144 nan 8.270 nan 0.000 0.381 551 R N 1.672 122.145 120.500 -0.046 0.000 2.346 551 R HA 0.538 4.878 4.340 -0.000 0.000 0.311 551 R C -1.110 175.206 176.300 0.027 0.000 0.983 551 R CA -0.566 55.537 56.100 0.005 0.000 0.880 551 R CB 1.346 31.664 30.300 0.030 0.000 1.100 551 R HN 0.353 nan 8.270 nan 0.000 0.453 552 V N 4.895 124.830 119.914 0.036 0.000 2.513 552 V HA 0.338 4.458 4.120 -0.000 0.000 0.299 552 V C 0.497 176.605 176.094 0.022 0.000 1.035 552 V CA -0.905 61.417 62.300 0.037 0.000 0.889 552 V CB 1.849 33.699 31.823 0.044 0.000 0.988 552 V HN 0.676 nan 8.190 nan 0.000 0.440 553 I N 3.410 123.977 120.570 -0.005 0.000 2.662 553 I HA -0.002 4.168 4.170 -0.000 0.000 0.285 553 I C 0.401 176.474 176.117 -0.072 0.000 1.161 553 I CA 0.432 61.708 61.300 -0.040 0.000 1.415 553 I CB 0.185 38.136 38.000 -0.082 0.000 1.385 553 I HN 0.622 nan 8.210 nan 0.000 0.552 554 D N 7.370 127.722 120.400 -0.080 0.000 2.422 554 D HA 0.093 4.733 4.640 -0.000 0.000 0.227 554 D C 0.870 177.086 176.300 -0.141 0.000 1.190 554 D CA 0.071 54.005 54.000 -0.110 0.000 0.905 554 D CB 0.721 41.425 40.800 -0.160 0.000 1.034 554 D HN 0.487 nan 8.370 nan 0.000 0.507 555 I N 3.407 123.900 120.570 -0.129 0.000 2.315 555 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 555 I C 1.796 177.866 176.117 -0.079 0.000 1.117 555 I CA 0.889 62.114 61.300 -0.124 0.000 1.404 555 I CB 0.261 38.156 38.000 -0.176 0.000 1.071 555 I HN 0.274 nan 8.210 nan 0.000 0.419 556 K N 0.275 120.626 120.400 -0.080 0.000 2.360 556 K HA -0.108 4.212 4.320 -0.000 0.000 0.201 556 K C 1.306 177.856 176.600 -0.083 0.000 1.046 556 K CA 0.710 56.959 56.287 -0.063 0.000 0.940 556 K CB -0.029 32.444 32.500 -0.045 0.000 0.748 556 K HN 0.297 nan 8.250 nan 0.000 0.465 557 R N 0.692 121.104 120.500 -0.147 0.000 2.468 557 R HA 0.068 4.408 4.340 -0.000 0.000 0.280 557 R C -0.265 175.946 176.300 -0.148 0.000 0.963 557 R CA 0.159 56.145 56.100 -0.190 0.000 1.083 557 R CB 0.268 30.308 30.300 -0.433 0.000 1.200 557 R HN 0.042 nan 8.270 nan 0.000 0.541 558 D N 0.953 121.302 120.400 -0.085 0.000 2.485 558 D HA 0.110 4.750 4.640 -0.000 0.000 0.256 558 D C 0.074 176.360 176.300 -0.024 0.000 1.141 558 D CA -0.252 53.724 54.000 -0.040 0.000 0.942 558 D CB 0.736 41.569 40.800 0.055 0.000 1.003 558 D HN -0.161 nan 8.370 nan 0.000 0.507 559 D N 1.569 121.941 120.400 -0.046 0.000 2.219 559 D HA -0.059 4.581 4.640 -0.000 0.000 0.205 559 D C 1.971 178.241 176.300 -0.050 0.000 0.970 559 D CA 0.641 54.618 54.000 -0.038 0.000 0.851 559 D CB 0.450 41.227 40.800 -0.039 0.000 0.943 559 D HN 0.438 nan 8.370 nan 0.000 0.488 560 L N -0.117 121.065 121.223 -0.070 0.000 2.162 560 L HA 0.035 4.375 4.340 -0.000 0.000 0.205 560 L C 0.502 177.313 176.870 -0.098 0.000 1.086 560 L CA 0.482 55.279 54.840 -0.071 0.000 0.778 560 L CB 0.021 42.040 42.059 -0.067 0.000 0.928 560 L HN -0.106 nan 8.230 nan 0.000 0.446 561 N N 0.905 119.480 118.700 -0.208 0.000 2.426 561 N HA 0.039 4.779 4.740 -0.000 0.000 0.257 561 N C -0.785 174.357 175.510 -0.614 0.000 1.002 561 N CA -0.145 52.656 53.050 -0.415 0.000 0.942 561 N CB 1.273 39.266 38.487 -0.823 0.000 1.112 561 N HN -0.060 nan 8.380 nan 0.000 0.499 562 D N 2.828 123.102 120.400 -0.209 0.000 2.545 562 D HA -0.015 4.625 4.640 -0.000 0.000 0.227 562 D C -0.493 175.746 176.300 -0.103 0.000 1.150 562 D CA -0.055 53.892 54.000 -0.089 0.000 1.046 562 D CB -0.593 40.253 40.800 0.076 0.000 1.098 562 D HN 0.326 nan 8.370 nan 0.000 0.502 563 Y N 0.731 120.929 120.300 -0.170 0.000 2.526 563 Y HA 0.327 4.877 4.550 -0.000 0.000 0.330 563 Y C 1.699 177.618 175.900 0.033 0.000 1.156 563 Y CA -0.290 57.708 58.100 -0.170 0.000 1.419 563 Y CB 0.902 39.210 38.460 -0.252 0.000 1.250 563 Y HN 0.249 nan 8.280 nan 0.000 0.540 564 G N 3.585 112.528 108.800 0.237 0.000 2.537 564 G HA2 0.002 3.962 3.960 -0.000 0.000 0.273 564 G HA3 0.002 3.962 3.960 -0.000 0.000 0.273 564 G C 0.860 175.844 174.900 0.141 0.000 1.189 564 G CA -0.479 44.719 45.100 0.164 0.000 0.881 564 G HN 1.097 nan 8.290 nan 0.000 0.535 565 W N 1.412 122.804 121.300 0.153 0.000 2.255 565 W HA -0.319 4.341 4.660 -0.000 0.000 0.318 565 W C 1.423 178.069 176.519 0.213 0.000 1.277 565 W CA 1.472 58.912 57.345 0.158 0.000 1.286 565 W CB -0.826 28.702 29.460 0.114 0.000 1.132 565 W HN 0.393 nan 8.180 nan 0.000 0.504 566 F N 2.163 121.622 119.950 -0.819 0.000 2.074 566 F HA -0.068 4.459 4.527 -0.000 0.000 0.290 566 F C 3.042 178.764 175.800 -0.130 0.000 1.118 566 F CA 3.076 60.534 58.000 -0.903 0.000 1.199 566 F CB -1.074 36.994 39.000 -1.552 0.000 1.012 566 F HN -0.222 nan 8.300 nan 0.000 0.472 567 T N 0.773 115.337 114.554 0.016 0.000 2.737 567 T HA -0.258 4.092 4.350 -0.000 0.000 0.269 567 T C 2.207 176.859 174.700 -0.080 0.000 1.040 567 T CA 1.876 63.986 62.100 0.017 0.000 1.142 567 T CB -0.347 68.611 68.868 0.150 0.000 0.861 567 T HN 0.272 nan 8.240 nan 0.000 0.456 568 R N -0.230 120.274 120.500 0.007 0.000 2.052 568 R HA 0.018 4.358 4.340 -0.000 0.000 0.226 568 R C 2.694 179.002 176.300 0.013 0.000 1.145 568 R CA 1.479 57.565 56.100 -0.022 0.000 0.952 568 R CB -0.961 29.398 30.300 0.098 0.000 0.847 568 R HN 0.409 nan 8.270 nan 0.000 0.431 569 G N 1.864 110.756 108.800 0.154 0.000 2.545 569 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.222 569 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.222 569 G C 1.480 176.353 174.900 -0.044 0.000 1.126 569 G CA 1.096 46.287 45.100 0.152 0.000 0.754 569 G HN 0.252 nan 8.290 nan 0.000 0.583 570 L N -0.508 120.715 121.223 -0.001 0.000 2.007 570 L HA 0.051 4.391 4.340 -0.000 0.000 0.205 570 L C 2.913 179.824 176.870 0.068 0.000 1.073 570 L CA 0.733 55.600 54.840 0.045 0.000 0.744 570 L CB -0.489 41.562 42.059 -0.013 0.000 0.898 570 L HN 0.189 nan 8.230 nan 0.000 0.435 571 L N -0.571 120.613 121.223 -0.065 0.000 2.265 571 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 571 L C 2.415 179.232 176.870 -0.088 0.000 1.117 571 L CA 0.953 55.730 54.840 -0.106 0.000 0.782 571 L CB -0.383 41.493 42.059 -0.305 0.000 0.914 571 L HN 0.313 nan 8.230 nan 0.000 0.441 572 E N -0.128 120.010 120.200 -0.103 0.000 2.021 572 E HA -0.206 4.144 4.350 -0.000 0.000 0.189 572 E C 2.175 178.675 176.600 -0.167 0.000 0.980 572 E CA 0.600 56.934 56.400 -0.110 0.000 0.803 572 E CB -0.048 29.598 29.700 -0.091 0.000 0.766 572 E HN 0.168 nan 8.360 nan 0.000 0.449 573 R N 0.649 120.981 120.500 -0.281 0.000 2.139 573 R HA -0.140 4.200 4.340 -0.000 0.000 0.243 573 R C 0.805 176.660 176.300 -0.741 0.000 1.145 573 R CA 1.461 57.206 56.100 -0.593 0.000 0.976 573 R CB -0.299 29.461 30.300 -0.900 0.000 0.866 573 R HN 0.115 nan 8.270 nan 0.000 0.449 574 F N -0.532 119.363 119.950 -0.092 0.000 2.855 574 F HA 0.309 4.836 4.527 -0.000 0.000 0.317 574 F C 1.018 176.782 175.800 -0.060 0.000 1.169 574 F CA -0.496 57.457 58.000 -0.077 0.000 1.299 574 F CB 0.022 38.972 39.000 -0.083 0.000 0.962 574 F HN 0.050 nan 8.300 nan 0.000 0.506 575 N N 1.058 119.771 118.700 0.023 0.000 2.289 575 N HA -0.154 4.586 4.740 -0.000 0.000 0.184 575 N C 1.278 176.806 175.510 0.030 0.000 1.016 575 N CA 1.731 54.785 53.050 0.007 0.000 0.872 575 N CB 0.188 38.655 38.487 -0.034 0.000 0.973 575 N HN 0.433 nan 8.380 nan 0.000 0.433 576 E N -1.341 118.880 120.200 0.035 0.000 2.536 576 E HA 0.208 4.558 4.350 -0.000 0.000 0.220 576 E C -0.377 176.257 176.600 0.057 0.000 0.876 576 E CA -0.193 56.231 56.400 0.040 0.000 1.190 576 E CB 1.239 30.953 29.700 0.024 0.000 1.191 576 E HN 0.246 nan 8.360 nan 0.000 0.557 577 I N 1.461 122.083 120.570 0.087 0.000 2.441 577 I HA 0.230 4.400 4.170 -0.000 0.000 0.295 577 I C -0.287 175.905 176.117 0.126 0.000 0.994 577 I CA -0.643 60.717 61.300 0.101 0.000 1.144 577 I CB 1.626 39.680 38.000 0.091 0.000 1.314 577 I HN -0.113 nan 8.210 nan 0.000 0.445 578 S N 5.391 121.134 115.700 0.072 0.000 2.531 578 S HA 0.108 4.578 4.470 -0.000 0.000 0.279 578 S C 1.240 175.819 174.600 -0.034 0.000 1.305 578 S CA -0.310 57.924 58.200 0.057 0.000 1.058 578 S CB 1.193 64.433 63.200 0.067 0.000 0.899 578 S HN 0.587 nan 8.310 nan 0.000 0.493 579 V N 3.838 123.632 119.914 -0.199 0.000 2.626 579 V HA -0.038 4.082 4.120 -0.000 0.000 0.252 579 V C 1.579 177.396 176.094 -0.462 0.000 1.067 579 V CA 1.124 63.086 62.300 -0.564 0.000 1.081 579 V CB -1.747 29.454 31.823 -1.036 0.000 0.686 579 V HN 0.919 nan 8.190 nan 0.000 0.468 580 Y N 0.217 120.397 120.300 -0.200 0.000 2.184 580 Y HA 0.009 4.559 4.550 -0.000 0.000 0.290 580 Y C 2.549 178.384 175.900 -0.107 0.000 1.129 580 Y CA 1.815 59.827 58.100 -0.146 0.000 1.144 580 Y CB -0.585 37.797 38.460 -0.129 0.000 0.995 580 Y HN 0.344 nan 8.280 nan 0.000 0.513 581 C N -2.629 116.720 119.300 0.080 0.000 3.730 581 C HA 0.562 5.022 4.460 -0.000 0.000 0.397 581 C C 1.826 176.908 174.990 0.154 0.000 1.468 581 C CA 0.073 59.138 59.018 0.077 0.000 1.931 581 C CB 0.324 28.054 27.740 -0.016 0.000 2.773 581 C HN 0.750 nan 8.230 nan 0.000 0.692 582 G N 2.222 111.077 108.800 0.091 0.000 2.148 582 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.254 582 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.254 582 G C 0.118 175.030 174.900 0.020 0.000 0.981 582 G CA 0.727 45.880 45.100 0.087 0.000 0.670 582 G HN 0.634 nan 8.290 nan 0.000 0.528 583 T N -0.469 114.099 114.554 0.022 0.000 2.828 583 T HA 0.575 4.925 4.350 -0.000 0.000 0.290 583 T C 0.747 175.456 174.700 0.016 0.000 1.019 583 T CA 0.362 62.464 62.100 0.003 0.000 1.031 583 T CB 1.530 70.397 68.868 -0.002 0.000 1.001 583 T HN 1.179 nan 8.240 nan 0.000 0.531 584 T N 0.424 114.990 114.554 0.020 0.000 2.856 584 T HA 0.501 4.851 4.350 -0.000 0.000 0.292 584 T C 0.259 174.981 174.700 0.037 0.000 0.980 584 T CA -1.036 61.084 62.100 0.034 0.000 1.091 584 T CB 0.041 68.934 68.868 0.042 0.000 0.936 584 T HN 0.539 nan 8.240 nan 0.000 0.503 585 L N 2.394 123.643 121.223 0.043 0.000 2.426 585 L HA 0.323 4.662 4.340 -0.000 0.000 0.271 585 L C 0.826 177.723 176.870 0.046 0.000 1.169 585 L CA -0.300 54.565 54.840 0.042 0.000 0.836 585 L CB 0.228 42.317 42.059 0.050 0.000 1.112 585 L HN 0.705 nan 8.230 nan 0.000 0.465 586 E N 1.563 121.787 120.200 0.041 0.000 2.175 586 E HA 0.308 4.658 4.350 -0.000 0.000 0.278 586 E C -0.981 175.644 176.600 0.041 0.000 0.969 586 E CA -0.836 55.590 56.400 0.042 0.000 0.796 586 E CB 2.029 31.751 29.700 0.037 0.000 1.104 586 E HN 0.279 nan 8.360 nan 0.000 0.395 587 V N 4.372 124.310 119.914 0.040 0.000 2.450 587 V HA 0.044 4.164 4.120 -0.000 0.000 0.281 587 V C 0.303 176.389 176.094 -0.014 0.000 1.019 587 V CA 0.049 62.360 62.300 0.019 0.000 1.062 587 V CB -0.924 30.900 31.823 0.001 0.000 0.979 587 V HN 0.658 nan 8.190 nan 0.000 0.477 588 M N 0.000 119.589 119.600 -0.019 0.000 2.572 588 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 588 M CA 0.000 55.286 55.300 -0.024 0.000 0.988 588 M CB 0.000 32.603 32.600 0.005 0.000 1.302 588 M HN 0.000 nan 8.290 nan 0.000 0.411