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 3n0q_1_A DATA FIRST_RESID 2 DATA SEQUENCE HSNINTLIAN HRAGHALDQA FYTDAEVFQT DLQEIFYKEW LFAIPACELD DATA SEQUENCE KPGSYVTHQV GNYNVIIVRG ADNVIRAFHN ACRHRGSVIC KAKKGNNPKL DATA SEQUENCE VCPYHQWTYE LDGRLLWARD XGPDFEPSRH GLKTVHCREL AGLIYICLAD DATA SEQUENCE EAPDFERFAE VARPYLEVHD LSNAKVAHES SIVERGNWKL VWENNRECYH DATA SEQUENCE CGGNHPALCR TFPDDPSVTG IEGGETPSNL QAHFDRCEQA GXPSGFHLSG DATA SEQUENCE DGQFRVARXP LKEGAESYTX DGKTAVRRWL GRAAFADAGS LLKFHYPTTW DATA SEQUENCE NHFLSDHSIV FRVTPISPTE TEVTTKWLVH KDAVEGVDYD LQRLTEVWIA DATA SEQUENCE TNDEDREVVE FNQXGINSPA YEPGPYSPTQ ESGVLQFVEW YLSTLKRNSG DATA SEQUENCE P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 H HA 0.000 nan 4.556 nan 0.000 0.296 2 H C 0.000 175.295 175.328 -0.055 0.000 0.993 2 H CA 0.000 56.006 56.048 -0.070 0.000 1.023 2 H CB 0.000 29.683 29.762 -0.132 0.000 1.292 3 S N 0.721 116.216 115.700 -0.343 0.000 3.844 3 S HA -0.329 4.141 4.470 -0.000 0.000 0.256 3 S C 0.344 174.612 174.600 -0.555 0.000 1.740 3 S CA 2.402 60.401 58.200 -0.335 0.000 3.913 3 S CB -1.525 61.568 63.200 -0.179 0.000 0.658 3 S HN 1.065 nan 8.310 nan 0.000 0.463 4 N N -0.174 118.183 118.700 -0.572 0.000 2.825 4 N HA 0.676 5.416 4.740 -0.000 0.000 0.253 4 N C 0.013 175.423 175.510 -0.167 0.000 1.426 4 N CA -0.355 52.440 53.050 -0.425 0.000 0.851 4 N CB 0.102 38.482 38.487 -0.178 0.000 1.470 4 N HN 0.181 nan 8.380 nan 0.000 0.517 5 I N 0.290 120.878 120.570 0.030 0.000 2.286 5 I HA -0.093 4.076 4.170 -0.000 0.000 0.248 5 I C 1.143 177.284 176.117 0.041 0.000 1.115 5 I CA 1.366 62.727 61.300 0.102 0.000 1.392 5 I CB -0.545 37.507 38.000 0.086 0.000 1.065 5 I HN 0.557 nan 8.210 nan 0.000 0.418 6 N N -0.169 118.533 118.700 0.003 0.000 2.166 6 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 6 N C 1.798 177.311 175.510 0.006 0.000 1.019 6 N CA 1.906 54.955 53.050 -0.002 0.000 0.856 6 N CB -0.601 37.876 38.487 -0.017 0.000 0.993 6 N HN 0.380 nan 8.380 nan 0.000 0.426 7 T N 1.575 116.122 114.554 -0.012 0.000 2.777 7 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 7 T C 1.996 176.714 174.700 0.029 0.000 1.040 7 T CA 0.398 62.494 62.100 -0.007 0.000 1.141 7 T CB -0.302 68.541 68.868 -0.041 0.000 0.868 7 T HN 0.047 nan 8.240 nan 0.000 0.444 8 L N 1.018 122.263 121.223 0.035 0.000 2.012 8 L HA 0.005 4.345 4.340 -0.000 0.000 0.210 8 L C 2.171 179.158 176.870 0.195 0.000 1.073 8 L CA 1.565 56.437 54.840 0.054 0.000 0.748 8 L CB -0.558 41.440 42.059 -0.103 0.000 0.891 8 L HN 0.276 nan 8.230 nan 0.000 0.431 9 I N -0.798 119.884 120.570 0.188 0.000 2.226 9 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 9 I C 2.486 178.687 176.117 0.141 0.000 1.100 9 I CA 1.175 62.594 61.300 0.199 0.000 1.374 9 I CB -0.595 37.449 38.000 0.074 0.000 1.057 9 I HN 0.327 nan 8.210 nan 0.000 0.413 10 A N 0.527 123.400 122.820 0.088 0.000 2.067 10 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 10 A C 1.796 179.423 177.584 0.072 0.000 1.158 10 A CA 1.785 53.858 52.037 0.060 0.000 0.661 10 A CB -0.775 18.242 19.000 0.029 0.000 0.801 10 A HN 0.468 nan 8.150 nan 0.000 0.452 11 N N -1.272 117.487 118.700 0.098 0.000 2.336 11 N HA 0.064 4.804 4.740 -0.000 0.000 0.189 11 N C 0.271 175.845 175.510 0.107 0.000 1.113 11 N CA -0.068 53.031 53.050 0.080 0.000 0.858 11 N CB -0.139 38.389 38.487 0.068 0.000 0.970 11 N HN 0.653 nan 8.380 nan 0.000 0.471 12 H N 1.316 120.431 119.070 0.075 0.000 2.928 12 H HA 0.093 4.649 4.556 -0.000 0.000 0.338 12 H C 0.204 175.540 175.328 0.013 0.000 1.047 12 H CA 0.004 56.093 56.048 0.067 0.000 1.435 12 H CB 0.412 30.205 29.762 0.052 0.000 1.428 12 H HN -0.045 nan 8.280 nan 0.000 0.590 13 R N 4.143 124.232 120.500 -0.684 0.000 2.210 13 R HA 0.426 4.766 4.340 -0.000 0.000 0.338 13 R C -0.539 175.402 176.300 -0.598 0.000 1.062 13 R CA -0.471 55.296 56.100 -0.555 0.000 0.902 13 R CB 0.127 30.084 30.300 -0.572 0.000 1.050 13 R HN 0.820 nan 8.270 nan 0.000 0.461 14 A N 2.986 125.659 122.820 -0.245 0.000 2.565 14 A HA 0.307 4.626 4.320 -0.000 0.000 0.237 14 A C 1.361 179.042 177.584 0.161 0.000 1.053 14 A CA 0.878 52.915 52.037 0.000 0.000 0.755 14 A CB -0.173 18.857 19.000 0.050 0.000 0.980 14 A HN 1.142 nan 8.150 nan 0.000 0.506 15 G N 1.417 110.359 108.800 0.237 0.000 2.205 15 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.261 15 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.261 15 G C 0.179 175.174 174.900 0.158 0.000 0.980 15 G CA 1.009 46.251 45.100 0.237 0.000 0.632 15 G HN 1.185 nan 8.290 nan 0.000 0.533 16 H N 0.194 119.253 119.070 -0.018 0.000 2.615 16 H HA 0.789 5.344 4.556 -0.001 0.000 0.346 16 H C 0.859 176.093 175.328 -0.157 0.000 1.200 16 H CA 0.182 56.119 56.048 -0.186 0.000 1.264 16 H CB 1.256 30.905 29.762 -0.189 0.000 1.699 16 H HN 0.516 nan 8.280 nan 0.000 0.567 17 A N 1.147 123.785 122.820 -0.303 0.000 2.346 17 A HA 0.277 4.597 4.320 -0.000 0.000 0.255 17 A C -0.123 177.673 177.584 0.354 0.000 1.113 17 A CA -0.418 51.634 52.037 0.024 0.000 0.798 17 A CB -0.133 18.898 19.000 0.051 0.000 1.073 17 A HN 0.580 nan 8.150 nan 0.000 0.502 18 L N 0.892 122.373 121.223 0.431 0.000 2.417 18 L HA 0.134 4.474 4.340 -0.000 0.000 0.268 18 L C 0.969 178.100 176.870 0.434 0.000 1.158 18 L CA -0.447 54.539 54.840 0.244 0.000 0.819 18 L CB 0.344 42.184 42.059 -0.365 0.000 1.112 18 L HN 0.781 nan 8.230 nan 0.000 0.458 19 D N 1.920 122.601 120.400 0.469 0.000 2.515 19 D HA -0.137 4.502 4.640 -0.000 0.000 0.232 19 D C 0.857 177.421 176.300 0.439 0.000 1.157 19 D CA 0.330 54.576 54.000 0.410 0.000 0.871 19 D CB 0.924 41.918 40.800 0.324 0.000 1.200 19 D HN 0.634 nan 8.370 nan 0.000 0.466 20 Q N 2.911 123.005 119.800 0.491 0.000 2.133 20 Q HA -0.288 4.052 4.340 -0.000 0.000 0.208 20 Q C 1.871 178.001 176.000 0.217 0.000 0.991 20 Q CA 2.133 58.204 55.803 0.448 0.000 0.867 20 Q CB -0.206 28.769 28.738 0.396 0.000 0.911 20 Q HN 0.661 nan 8.270 nan 0.000 0.417 21 A N -0.001 122.870 122.820 0.086 0.000 1.948 21 A HA -0.201 4.118 4.320 -0.000 0.000 0.220 21 A C 1.693 179.193 177.584 -0.140 0.000 1.177 21 A CA 1.470 53.462 52.037 -0.075 0.000 0.636 21 A CB -0.983 17.901 19.000 -0.194 0.000 0.815 21 A HN 0.504 nan 8.150 nan 0.000 0.449 22 F N -1.725 118.146 119.950 -0.132 0.000 2.202 22 F HA -0.174 4.353 4.527 -0.001 0.000 0.301 22 F C 1.811 177.466 175.800 -0.242 0.000 1.082 22 F CA 1.545 59.397 58.000 -0.247 0.000 1.313 22 F CB -0.446 38.276 39.000 -0.463 0.000 1.024 22 F HN 0.353 nan 8.300 nan 0.000 0.495 23 Y N -1.649 118.766 120.300 0.192 0.000 2.449 23 Y HA 0.110 4.660 4.550 -0.000 0.000 0.254 23 Y C 2.099 178.024 175.900 0.042 0.000 1.140 23 Y CA 0.675 58.821 58.100 0.076 0.000 1.272 23 Y CB -0.636 37.825 38.460 0.001 0.000 1.114 23 Y HN 0.079 nan 8.280 nan 0.000 0.525 24 T N -4.782 109.866 114.554 0.155 0.000 2.980 24 T HA 0.142 4.492 4.350 -0.000 0.000 0.252 24 T C 0.102 174.829 174.700 0.045 0.000 0.962 24 T CA -0.115 62.034 62.100 0.082 0.000 0.932 24 T CB -0.261 68.649 68.868 0.070 0.000 1.188 24 T HN 0.006 nan 8.240 nan 0.000 0.500 25 D N 1.109 121.523 120.400 0.024 0.000 2.351 25 D HA 0.623 5.262 4.640 -0.000 0.000 0.251 25 D C 1.439 177.760 176.300 0.035 0.000 1.137 25 D CA 0.346 54.338 54.000 -0.013 0.000 0.879 25 D CB 1.389 42.110 40.800 -0.132 0.000 1.181 25 D HN 0.253 nan 8.370 nan 0.000 0.448 26 A N 3.737 126.584 122.820 0.045 0.000 1.902 26 A HA -0.175 4.144 4.320 -0.000 0.000 0.217 26 A C 1.850 179.517 177.584 0.139 0.000 1.181 26 A CA 1.287 53.382 52.037 0.096 0.000 0.623 26 A CB -0.497 18.540 19.000 0.062 0.000 0.818 26 A HN 0.794 nan 8.150 nan 0.000 0.443 27 E N -0.352 119.893 120.200 0.076 0.000 2.072 27 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 27 E C 1.986 178.606 176.600 0.033 0.000 0.985 27 E CA 1.253 57.702 56.400 0.082 0.000 0.801 27 E CB -0.254 29.537 29.700 0.152 0.000 0.750 27 E HN 0.403 nan 8.360 nan 0.000 0.452 28 V N 1.151 121.000 119.914 -0.109 0.000 2.407 28 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 28 V C 2.004 178.180 176.094 0.138 0.000 1.055 28 V CA 1.681 63.930 62.300 -0.086 0.000 1.049 28 V CB -0.516 31.164 31.823 -0.238 0.000 0.662 28 V HN 0.242 nan 8.190 nan 0.000 0.455 29 F N 0.831 120.821 119.950 0.065 0.000 2.134 29 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 29 F C 2.559 178.407 175.800 0.080 0.000 1.097 29 F CA 1.759 59.839 58.000 0.132 0.000 1.264 29 F CB -0.244 38.819 39.000 0.104 0.000 1.001 29 F HN 0.081 nan 8.300 nan 0.000 0.479 30 Q N -0.008 119.813 119.800 0.035 0.000 2.124 30 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 30 Q C 2.284 178.218 176.000 -0.109 0.000 0.977 30 Q CA 2.097 57.855 55.803 -0.075 0.000 0.850 30 Q CB -1.136 27.632 28.738 0.050 0.000 0.901 30 Q HN 0.400 nan 8.270 nan 0.000 0.429 31 T N 1.628 116.171 114.554 -0.018 0.000 2.746 31 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 31 T C 1.199 175.900 174.700 0.002 0.000 1.039 31 T CA 1.464 63.570 62.100 0.011 0.000 1.142 31 T CB -0.202 68.705 68.868 0.065 0.000 0.866 31 T HN 0.220 nan 8.240 nan 0.000 0.444 32 D N 1.021 121.447 120.400 0.043 0.000 2.117 32 D HA -0.016 4.624 4.640 -0.000 0.000 0.197 32 D C 2.155 178.394 176.300 -0.101 0.000 0.987 32 D CA 0.731 54.816 54.000 0.142 0.000 0.829 32 D CB -0.396 40.643 40.800 0.398 0.000 0.961 32 D HN 0.313 nan 8.370 nan 0.000 0.460 33 L N 0.401 121.362 121.223 -0.436 0.000 1.994 33 L HA -0.203 4.136 4.340 -0.000 0.000 0.208 33 L C 2.552 178.976 176.870 -0.743 0.000 1.071 33 L CA 1.263 55.663 54.840 -0.734 0.000 0.745 33 L CB -0.454 41.015 42.059 -0.983 0.000 0.892 33 L HN 0.030 nan 8.230 nan 0.000 0.431 34 Q N -0.595 118.965 119.800 -0.400 0.000 2.124 34 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 34 Q C 1.939 177.940 176.000 0.002 0.000 0.977 34 Q CA 1.118 56.868 55.803 -0.089 0.000 0.850 34 Q CB 0.108 28.860 28.738 0.023 0.000 0.901 34 Q HN 0.422 nan 8.270 nan 0.000 0.429 35 E N -0.688 119.495 120.200 -0.029 0.000 2.364 35 E HA 0.046 4.396 4.350 -0.000 0.000 0.196 35 E C 1.570 178.157 176.600 -0.022 0.000 0.990 35 E CA 0.407 56.801 56.400 -0.011 0.000 0.886 35 E CB 0.721 30.407 29.700 -0.023 0.000 0.866 35 E HN 0.298 nan 8.360 nan 0.000 0.493 36 I N -1.022 119.532 120.570 -0.028 0.000 3.632 36 I HA 0.033 4.202 4.170 -0.000 0.000 0.246 36 I C 1.872 177.901 176.117 -0.147 0.000 1.125 36 I CA 0.342 61.593 61.300 -0.082 0.000 1.519 36 I CB -1.196 36.757 38.000 -0.079 0.000 1.555 36 I HN -0.075 nan 8.210 nan 0.000 0.452 37 F N 0.781 120.662 119.950 -0.115 0.000 2.293 37 F HA -0.149 4.377 4.527 -0.000 0.000 0.300 37 F C 2.033 177.947 175.800 0.188 0.000 1.086 37 F CA 1.213 59.190 58.000 -0.038 0.000 1.375 37 F CB -0.318 38.564 39.000 -0.196 0.000 1.045 37 F HN 0.103 nan 8.300 nan 0.000 0.516 38 Y N -0.476 119.902 120.300 0.130 0.000 2.457 38 Y HA 0.170 4.720 4.550 -0.000 0.000 0.263 38 Y C 1.542 177.440 175.900 -0.003 0.000 1.164 38 Y CA -0.351 57.794 58.100 0.075 0.000 1.274 38 Y CB -0.619 37.930 38.460 0.147 0.000 1.097 38 Y HN 0.086 nan 8.280 nan 0.000 0.523 39 K N -0.712 119.761 120.400 0.121 0.000 2.424 39 K HA 0.108 4.428 4.320 -0.000 0.000 0.198 39 K C 0.368 176.942 176.600 -0.043 0.000 1.190 39 K CA 0.147 56.449 56.287 0.024 0.000 0.935 39 K CB 0.916 33.431 32.500 0.026 0.000 1.087 39 K HN -0.031 nan 8.250 nan 0.000 0.524 40 E N 0.079 120.282 120.200 0.004 0.000 2.254 40 E HA 0.130 4.479 4.350 -0.000 0.000 0.261 40 E C -0.667 175.969 176.600 0.060 0.000 1.051 40 E CA -0.567 55.870 56.400 0.062 0.000 0.902 40 E CB 0.485 30.294 29.700 0.181 0.000 1.168 40 E HN -0.003 nan 8.360 nan 0.000 0.423 41 W N 1.014 122.495 121.300 0.302 0.000 2.210 41 W HA 0.195 4.855 4.660 -0.000 0.000 0.330 41 W C 0.054 176.851 176.519 0.464 0.000 1.334 41 W CA -0.045 57.532 57.345 0.386 0.000 1.227 41 W CB 0.314 30.053 29.460 0.465 0.000 1.178 41 W HN 0.100 nan 8.180 nan 0.000 0.560 42 L N 4.815 126.453 121.223 0.692 0.000 2.385 42 L HA 0.381 4.721 4.340 -0.000 0.000 0.273 42 L C -0.466 176.619 176.870 0.359 0.000 0.990 42 L CA -1.321 53.823 54.840 0.507 0.000 0.821 42 L CB 1.011 43.290 42.059 0.366 0.000 1.279 42 L HN 0.214 nan 8.230 nan 0.000 0.412 43 F N 2.529 122.464 119.950 -0.026 0.000 2.504 43 F HA 0.444 4.971 4.527 -0.000 0.000 0.369 43 F C 0.601 176.264 175.800 -0.227 0.000 1.082 43 F CA 0.036 57.697 58.000 -0.564 0.000 1.216 43 F CB 1.229 39.949 39.000 -0.467 0.000 1.108 43 F HN 0.588 nan 8.300 nan 0.000 0.554 44 A N 6.685 128.946 122.820 -0.933 0.000 2.106 44 A HA 0.492 4.812 4.320 -0.000 0.000 0.218 44 A C 0.192 177.023 177.584 -1.254 0.000 1.718 44 A CA 0.893 52.398 52.037 -0.887 0.000 0.768 44 A CB -0.229 18.523 19.000 -0.413 0.000 1.321 44 A HN 0.804 nan 8.150 nan 0.000 0.567 45 I N -3.709 116.291 120.570 -0.951 0.000 3.006 45 I HA 0.543 4.713 4.170 -0.000 0.000 0.306 45 I C -3.152 172.875 176.117 -0.150 0.000 1.250 45 I CA -2.825 58.138 61.300 -0.562 0.000 0.996 45 I CB 2.424 40.236 38.000 -0.313 0.000 1.261 45 I HN -0.059 nan 8.210 nan 0.000 0.442 46 P HA 0.128 nan 4.420 nan 0.000 0.271 46 P C 0.496 177.815 177.300 0.031 0.000 1.216 46 P CA -0.075 63.091 63.100 0.111 0.000 0.771 46 P CB 1.320 33.077 31.700 0.096 0.000 0.864 47 A N 3.294 126.142 122.820 0.046 0.000 1.978 47 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 47 A C 2.181 179.770 177.584 0.008 0.000 1.170 47 A CA 1.942 53.991 52.037 0.020 0.000 0.636 47 A CB -1.782 17.235 19.000 0.028 0.000 0.810 47 A HN 0.761 nan 8.150 nan 0.000 0.448 48 C N -0.708 118.599 119.300 0.013 0.000 2.409 48 C HA -0.061 4.399 4.460 -0.000 0.000 0.284 48 C C 2.058 177.043 174.990 -0.007 0.000 1.354 48 C CA 0.907 59.926 59.018 0.002 0.000 1.787 48 C CB -1.576 26.167 27.740 0.004 0.000 1.900 48 C HN 0.646 nan 8.230 nan 0.000 0.520 49 E N 0.843 121.034 120.200 -0.016 0.000 2.209 49 E HA -0.041 4.309 4.350 -0.000 0.000 0.196 49 E C 0.490 177.068 176.600 -0.036 0.000 0.993 49 E CA 0.692 57.072 56.400 -0.034 0.000 0.819 49 E CB -0.126 29.541 29.700 -0.056 0.000 0.745 49 E HN 0.725 nan 8.360 nan 0.000 0.477 50 L N 2.844 124.054 121.223 -0.022 0.000 2.397 50 L HA 0.075 4.415 4.340 -0.000 0.000 0.263 50 L C 0.943 177.812 176.870 -0.002 0.000 1.136 50 L CA -0.531 54.303 54.840 -0.010 0.000 1.019 50 L CB 0.299 42.363 42.059 0.007 0.000 1.352 50 L HN 0.081 nan 8.230 nan 0.000 0.420 51 D N 0.870 121.265 120.400 -0.008 0.000 2.317 51 D HA -0.043 4.597 4.640 -0.000 0.000 0.211 51 D C 0.382 176.685 176.300 0.006 0.000 0.966 51 D CA 0.608 54.606 54.000 -0.003 0.000 0.876 51 D CB 0.704 41.500 40.800 -0.007 0.000 0.927 51 D HN 0.339 nan 8.370 nan 0.000 0.519 52 K N -0.020 120.388 120.400 0.013 0.000 2.536 52 K HA 0.409 4.729 4.320 -0.000 0.000 0.269 52 K C -2.965 173.655 176.600 0.035 0.000 0.965 52 K CA -2.110 54.190 56.287 0.021 0.000 0.860 52 K CB 2.557 35.069 32.500 0.020 0.000 1.423 52 K HN -0.237 nan 8.250 nan 0.000 0.438 53 P HA -0.036 nan 4.420 nan 0.000 0.265 53 P C 0.544 177.883 177.300 0.066 0.000 1.193 53 P CA 1.070 64.201 63.100 0.052 0.000 0.765 53 P CB 0.393 32.120 31.700 0.044 0.000 0.823 54 G N 1.550 110.404 108.800 0.091 0.000 2.225 54 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.254 54 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.254 54 G C 0.412 175.414 174.900 0.170 0.000 0.988 54 G CA 0.009 45.183 45.100 0.124 0.000 0.625 54 G HN 0.587 nan 8.290 nan 0.000 0.527 55 S N 0.504 116.273 115.700 0.115 0.000 2.564 55 S HA 0.618 5.088 4.470 -0.000 0.000 0.278 55 S C -0.201 174.489 174.600 0.149 0.000 1.333 55 S CA 0.468 58.712 58.200 0.073 0.000 1.048 55 S CB 0.530 63.735 63.200 0.009 0.000 0.900 55 S HN 1.114 nan 8.310 nan 0.000 0.505 56 Y N 0.023 120.340 120.300 0.028 0.000 2.615 56 Y HA 0.796 5.346 4.550 -0.000 0.000 0.341 56 Y C -0.788 175.120 175.900 0.014 0.000 1.089 56 Y CA -1.504 56.613 58.100 0.029 0.000 1.049 56 Y CB 0.681 39.170 38.460 0.049 0.000 1.296 56 Y HN 0.464 nan 8.280 nan 0.000 0.470 57 V N -0.967 119.044 119.914 0.162 0.000 3.102 57 V HA 0.951 5.071 4.120 -0.000 0.000 0.312 57 V C -0.533 175.712 176.094 0.253 0.000 1.135 57 V CA -0.335 62.030 62.300 0.109 0.000 1.022 57 V CB 1.450 33.264 31.823 -0.015 0.000 1.056 57 V HN 1.303 nan 8.190 nan 0.000 0.436 58 T N -0.357 114.319 114.554 0.204 0.000 2.912 58 T HA 0.767 5.117 4.350 -0.000 0.000 0.288 58 T C -0.905 173.901 174.700 0.176 0.000 1.030 58 T CA -0.304 61.903 62.100 0.179 0.000 1.020 58 T CB 1.481 70.449 68.868 0.167 0.000 1.056 58 T HN 1.454 nan 8.240 nan 0.000 0.480 59 H N 0.644 119.732 119.070 0.030 0.000 3.017 59 H HA 0.492 5.048 4.556 -0.000 0.000 0.340 59 H C -1.153 174.197 175.328 0.037 0.000 1.014 59 H CA -0.439 55.615 56.048 0.010 0.000 1.341 59 H CB 1.939 31.685 29.762 -0.027 0.000 1.739 59 H HN 0.719 nan 8.280 nan 0.000 0.506 60 Q N 3.570 123.286 119.800 -0.140 0.000 2.279 60 Q HA 0.557 4.897 4.340 -0.000 0.000 0.256 60 Q C -1.372 174.431 176.000 -0.329 0.000 0.937 60 Q CA -0.481 55.229 55.803 -0.155 0.000 0.933 60 Q CB 0.986 29.704 28.738 -0.032 0.000 1.189 60 Q HN 0.474 nan 8.270 nan 0.000 0.417 61 V N 5.231 125.052 119.914 -0.156 0.000 2.419 61 V HA 0.647 4.767 4.120 -0.000 0.000 0.287 61 V C 0.771 176.974 176.094 0.182 0.000 1.017 61 V CA 0.076 62.355 62.300 -0.035 0.000 0.844 61 V CB 0.493 32.331 31.823 0.024 0.000 1.011 61 V HN 1.047 nan 8.190 nan 0.000 0.429 62 G N 5.480 114.350 108.800 0.116 0.000 2.629 62 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.313 62 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.313 62 G C 0.658 175.640 174.900 0.136 0.000 1.217 62 G CA 1.131 46.337 45.100 0.177 0.000 0.994 62 G HN 0.710 nan 8.290 nan 0.000 0.549 63 N N -0.111 118.657 118.700 0.114 0.000 2.336 63 N HA 0.285 5.025 4.740 -0.000 0.000 0.189 63 N C -0.064 175.339 175.510 -0.179 0.000 1.113 63 N CA -0.094 52.916 53.050 -0.067 0.000 0.858 63 N CB 0.198 38.608 38.487 -0.127 0.000 0.970 63 N HN 0.399 nan 8.380 nan 0.000 0.471 64 Y N 0.738 121.025 120.300 -0.022 0.000 2.301 64 Y HA 0.264 4.814 4.550 -0.000 0.000 0.325 64 Y C 0.414 176.304 175.900 -0.016 0.000 1.203 64 Y CA -0.637 57.444 58.100 -0.032 0.000 1.255 64 Y CB 0.691 39.112 38.460 -0.064 0.000 1.232 64 Y HN -0.054 nan 8.280 nan 0.000 0.501 65 N N 1.436 120.257 118.700 0.201 0.000 2.352 65 N HA 0.471 5.211 4.740 -0.000 0.000 0.291 65 N C -2.139 173.437 175.510 0.109 0.000 1.040 65 N CA -0.243 52.872 53.050 0.107 0.000 0.864 65 N CB 1.805 40.335 38.487 0.072 0.000 1.440 65 N HN 0.391 nan 8.380 nan 0.000 0.483 66 V N 4.600 124.545 119.914 0.053 0.000 2.495 66 V HA 0.500 4.620 4.120 -0.000 0.000 0.298 66 V C 0.344 176.471 176.094 0.054 0.000 1.031 66 V CA -0.740 61.561 62.300 0.002 0.000 0.871 66 V CB 1.662 33.450 31.823 -0.058 0.000 0.988 66 V HN 0.532 nan 8.190 nan 0.000 0.432 67 I N 5.675 126.278 120.570 0.055 0.000 2.371 67 I HA 0.397 4.567 4.170 -0.000 0.000 0.290 67 I C -0.407 175.762 176.117 0.087 0.000 1.028 67 I CA 0.004 61.363 61.300 0.098 0.000 1.345 67 I CB 0.928 38.987 38.000 0.098 0.000 1.407 67 I HN 0.422 nan 8.210 nan 0.000 0.501 68 I N 7.450 128.083 120.570 0.105 0.000 2.355 68 I HA 0.442 4.612 4.170 -0.000 0.000 0.288 68 I C -0.645 175.548 176.117 0.127 0.000 0.999 68 I CA -0.646 60.688 61.300 0.057 0.000 1.163 68 I CB 1.855 39.861 38.000 0.009 0.000 1.316 68 I HN 0.265 nan 8.210 nan 0.000 0.454 69 V N 7.148 127.138 119.914 0.125 0.000 2.760 69 V HA 0.469 4.589 4.120 -0.000 0.000 0.309 69 V C -0.618 175.554 176.094 0.130 0.000 1.077 69 V CA -0.626 61.782 62.300 0.180 0.000 0.910 69 V CB 2.445 34.408 31.823 0.233 0.000 1.008 69 V HN 0.805 nan 8.190 nan 0.000 0.424 70 R N 4.455 125.024 120.500 0.115 0.000 2.234 70 R HA 0.561 4.901 4.340 -0.000 0.000 0.324 70 R C 0.450 176.807 176.300 0.095 0.000 1.054 70 R CA 0.361 56.511 56.100 0.083 0.000 0.912 70 R CB 0.909 31.245 30.300 0.060 0.000 1.030 70 R HN 0.976 nan 8.270 nan 0.000 0.455 71 G N 1.748 110.601 108.800 0.088 0.000 2.651 71 G HA2 0.238 4.198 3.960 -0.000 0.000 0.260 71 G HA3 0.238 4.198 3.960 -0.000 0.000 0.260 71 G C 0.827 175.767 174.900 0.066 0.000 1.216 71 G CA 0.020 45.173 45.100 0.088 0.000 0.913 71 G HN 0.797 nan 8.290 nan 0.000 0.535 72 A N -0.049 122.808 122.820 0.061 0.000 2.024 72 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 72 A C 1.782 179.389 177.584 0.039 0.000 1.164 72 A CA 2.100 54.165 52.037 0.047 0.000 0.643 72 A CB -0.319 18.707 19.000 0.043 0.000 0.806 72 A HN 0.642 nan 8.150 nan 0.000 0.451 73 D N -2.315 118.110 120.400 0.041 0.000 2.319 73 D HA 0.055 4.695 4.640 -0.000 0.000 0.230 73 D C 0.438 176.756 176.300 0.030 0.000 1.094 73 D CA 0.246 54.266 54.000 0.034 0.000 0.856 73 D CB -0.745 40.075 40.800 0.034 0.000 0.915 73 D HN 0.300 nan 8.370 nan 0.000 0.517 74 N N -1.503 117.217 118.700 0.034 0.000 2.863 74 N HA -0.167 4.572 4.740 -0.000 0.000 0.245 74 N C -0.930 174.596 175.510 0.027 0.000 1.001 74 N CA 0.899 53.967 53.050 0.029 0.000 0.901 74 N CB -1.150 37.349 38.487 0.021 0.000 1.124 74 N HN 0.202 nan 8.380 nan 0.000 0.582 75 V N 1.614 121.546 119.914 0.031 0.000 2.498 75 V HA 0.285 4.405 4.120 -0.000 0.000 0.279 75 V C 1.023 177.134 176.094 0.028 0.000 1.048 75 V CA -0.379 61.935 62.300 0.024 0.000 0.967 75 V CB 1.191 33.029 31.823 0.024 0.000 0.988 75 V HN 0.094 nan 8.190 nan 0.000 0.473 76 I N 6.184 126.761 120.570 0.012 0.000 2.371 76 I HA 0.400 4.570 4.170 -0.000 0.000 0.290 76 I C 0.513 176.612 176.117 -0.030 0.000 1.028 76 I CA -0.021 61.282 61.300 0.006 0.000 1.345 76 I CB 0.518 38.518 38.000 -0.001 0.000 1.407 76 I HN 0.581 nan 8.210 nan 0.000 0.501 77 R N 4.452 124.921 120.500 -0.051 0.000 2.854 77 R HA 0.865 5.204 4.340 -0.000 0.000 0.271 77 R C -1.036 175.045 176.300 -0.366 0.000 0.996 77 R CA -0.911 55.061 56.100 -0.214 0.000 0.961 77 R CB 2.262 32.445 30.300 -0.194 0.000 1.182 77 R HN 0.684 nan 8.270 nan 0.000 0.479 78 A N 1.720 124.155 122.820 -0.641 0.000 2.401 78 A HA 0.839 5.159 4.320 -0.000 0.000 0.310 78 A C -1.393 175.572 177.584 -1.032 0.000 1.075 78 A CA -0.499 51.184 52.037 -0.589 0.000 0.746 78 A CB 0.848 19.661 19.000 -0.311 0.000 1.277 78 A HN 0.510 nan 8.150 nan 0.000 0.425 79 F N 0.142 119.999 119.950 -0.155 0.000 2.626 79 F HA 0.395 4.922 4.527 -0.000 0.000 0.311 79 F C 0.294 175.943 175.800 -0.251 0.000 1.088 79 F CA -0.634 57.253 58.000 -0.188 0.000 0.949 79 F CB 1.399 40.328 39.000 -0.118 0.000 1.322 79 F HN 0.520 nan 8.300 nan 0.000 0.461 80 H N 1.266 120.412 119.070 0.126 0.000 2.886 80 H HA 0.025 4.581 4.556 -0.000 0.000 0.329 80 H C -0.035 175.322 175.328 0.047 0.000 1.044 80 H CA 0.274 56.363 56.048 0.068 0.000 1.456 80 H CB 0.801 30.599 29.762 0.059 0.000 1.464 80 H HN 0.371 nan 8.280 nan 0.000 0.573 81 N N 2.403 121.184 118.700 0.135 0.000 3.178 81 N HA 0.168 4.908 4.740 -0.000 0.000 0.300 81 N C -1.256 174.280 175.510 0.043 0.000 1.242 81 N CA -0.114 52.969 53.050 0.055 0.000 1.192 81 N CB -0.464 38.053 38.487 0.050 0.000 1.463 81 N HN 0.644 nan 8.380 nan 0.000 0.539 82 A N 1.594 124.429 122.820 0.024 0.000 2.550 82 A HA 0.248 4.568 4.320 -0.000 0.000 0.282 82 A C -0.199 177.378 177.584 -0.010 0.000 1.071 82 A CA -0.768 51.279 52.037 0.016 0.000 0.838 82 A CB -0.136 18.885 19.000 0.035 0.000 1.361 82 A HN 0.460 nan 8.150 nan 0.000 0.408 83 C N 3.001 122.302 119.300 0.001 0.000 2.657 83 C HA 0.246 4.706 4.460 -0.000 0.000 0.420 83 C C 1.579 176.628 174.990 0.099 0.000 1.323 83 C CA -0.120 58.934 59.018 0.061 0.000 1.894 83 C CB -0.222 27.565 27.740 0.077 0.000 2.681 83 C HN 0.828 nan 8.230 nan 0.000 0.613 84 R N 2.476 123.146 120.500 0.283 0.000 2.323 84 R HA -0.002 4.338 4.340 -0.000 0.000 0.198 84 R C 1.713 178.155 176.300 0.237 0.000 0.988 84 R CA 0.623 56.934 56.100 0.352 0.000 1.041 84 R CB -0.865 29.805 30.300 0.616 0.000 0.926 84 R HN 0.894 nan 8.270 nan 0.000 0.476 85 H N 0.750 119.553 119.070 -0.444 0.000 2.298 85 H HA 0.114 4.670 4.556 -0.000 0.000 0.318 85 H C 0.718 175.843 175.328 -0.337 0.000 1.064 85 H CA 0.859 56.391 56.048 -0.859 0.000 1.415 85 H CB 0.515 29.123 29.762 -1.924 0.000 1.453 85 H HN -0.027 nan 8.280 nan 0.000 0.546 86 R N -0.943 119.230 120.500 -0.545 0.000 2.508 86 R HA 0.172 4.512 4.340 -0.000 0.000 0.300 86 R C 0.524 176.741 176.300 -0.140 0.000 0.970 86 R CA 0.465 56.325 56.100 -0.400 0.000 1.102 86 R CB 1.735 31.697 30.300 -0.563 0.000 1.246 86 R HN 0.706 nan 8.270 nan 0.000 0.539 87 G N 0.685 109.434 108.800 -0.085 0.000 2.179 87 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 87 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 87 G C 0.138 175.037 174.900 -0.001 0.000 0.990 87 G CA 0.185 45.268 45.100 -0.028 0.000 0.646 87 G HN 0.289 nan 8.290 nan 0.000 0.517 88 S N -0.247 115.470 115.700 0.028 0.000 2.568 88 S HA 0.417 4.887 4.470 -0.000 0.000 0.282 88 S C 1.199 175.807 174.600 0.013 0.000 1.338 88 S CA 0.192 58.410 58.200 0.031 0.000 1.045 88 S CB 0.830 64.079 63.200 0.082 0.000 0.873 88 S HN 1.056 nan 8.310 nan 0.000 0.516 89 V N 6.466 126.378 119.914 -0.003 0.000 2.694 89 V HA -0.019 4.101 4.120 -0.000 0.000 0.306 89 V C 1.318 177.412 176.094 0.001 0.000 1.054 89 V CA 0.774 63.073 62.300 -0.002 0.000 1.161 89 V CB 0.295 32.114 31.823 -0.005 0.000 0.916 89 V HN 0.870 nan 8.190 nan 0.000 0.490 90 I N 2.726 123.290 120.570 -0.010 0.000 2.556 90 I HA 0.043 4.213 4.170 -0.000 0.000 0.251 90 I C 0.761 176.856 176.117 -0.036 0.000 1.105 90 I CA 0.805 62.098 61.300 -0.012 0.000 1.436 90 I CB 0.199 38.167 38.000 -0.052 0.000 1.139 90 I HN 0.508 nan 8.210 nan 0.000 0.438 91 C N 2.502 121.759 119.300 -0.071 0.000 2.223 91 C HA 0.219 4.678 4.460 -0.000 0.000 0.324 91 C C 1.657 176.667 174.990 0.034 0.000 1.196 91 C CA -0.837 58.134 59.018 -0.078 0.000 1.628 91 C CB 0.003 27.579 27.740 -0.274 0.000 2.229 91 C HN 0.347 nan 8.230 nan 0.000 0.486 92 K N 1.738 122.171 120.400 0.056 0.000 2.228 92 K HA 0.050 4.370 4.320 -0.000 0.000 0.202 92 K C 1.088 177.740 176.600 0.086 0.000 1.051 92 K CA 0.633 56.953 56.287 0.054 0.000 0.960 92 K CB 0.126 32.646 32.500 0.033 0.000 0.743 92 K HN 0.730 nan 8.250 nan 0.000 0.458 93 A N 1.533 124.439 122.820 0.144 0.000 2.322 93 A HA 0.144 4.464 4.320 -0.000 0.000 0.269 93 A C 0.772 178.451 177.584 0.157 0.000 1.094 93 A CA -0.388 51.730 52.037 0.135 0.000 0.807 93 A CB 0.581 19.662 19.000 0.135 0.000 1.047 93 A HN -0.042 nan 8.150 nan 0.000 0.487 94 K N 0.263 120.708 120.400 0.075 0.000 2.283 94 K HA -0.064 4.256 4.320 -0.000 0.000 0.202 94 K C 0.382 176.982 176.600 -0.000 0.000 1.048 94 K CA 1.542 57.861 56.287 0.054 0.000 0.948 94 K CB -0.342 32.167 32.500 0.015 0.000 0.742 94 K HN 0.817 nan 8.250 nan 0.000 0.458 95 K N -2.065 118.271 120.400 -0.106 0.000 2.597 95 K HA 0.565 4.885 4.320 -0.000 0.000 0.282 95 K C -0.419 175.831 176.600 -0.583 0.000 0.975 95 K CA -0.770 55.288 56.287 -0.381 0.000 0.867 95 K CB 1.902 34.260 32.500 -0.238 0.000 1.465 95 K HN -0.026 nan 8.250 nan 0.000 0.417 96 G N 0.527 108.721 108.800 -1.010 0.000 2.321 96 G HA2 0.236 4.196 3.960 -0.000 0.000 0.296 96 G HA3 0.236 4.196 3.960 -0.000 0.000 0.296 96 G C -2.065 172.544 174.900 -0.484 0.000 1.287 96 G CA -0.704 44.009 45.100 -0.645 0.000 0.846 96 G HN 0.674 nan 8.290 nan 0.000 0.508 97 N N 0.278 118.961 118.700 -0.029 0.000 2.336 97 N HA 0.417 5.157 4.740 -0.000 0.000 0.290 97 N C -1.345 174.294 175.510 0.214 0.000 1.058 97 N CA -0.497 52.625 53.050 0.119 0.000 0.865 97 N CB 1.862 40.374 38.487 0.042 0.000 1.581 97 N HN 0.881 nan 8.380 nan 0.000 0.480 98 N N 2.008 120.852 118.700 0.240 0.000 2.324 98 N HA 0.383 5.123 4.740 -0.000 0.000 0.285 98 N C -2.530 173.050 175.510 0.116 0.000 1.076 98 N CA -1.345 51.801 53.050 0.161 0.000 0.864 98 N CB 2.838 41.415 38.487 0.150 0.000 1.632 98 N HN 0.167 nan 8.380 nan 0.000 0.478 99 P HA 0.010 nan 4.420 nan 0.000 0.229 99 P C -0.427 176.911 177.300 0.064 0.000 1.160 99 P CA 1.065 64.205 63.100 0.067 0.000 0.777 99 P CB 0.371 32.101 31.700 0.049 0.000 0.814 100 K N -0.289 120.150 120.400 0.066 0.000 2.480 100 K HA 0.480 4.800 4.320 -0.000 0.000 0.258 100 K C -0.501 176.138 176.600 0.065 0.000 0.990 100 K CA -0.985 55.343 56.287 0.070 0.000 0.857 100 K CB 1.846 34.392 32.500 0.076 0.000 1.384 100 K HN -0.063 nan 8.250 nan 0.000 0.446 101 L N 1.819 123.090 121.223 0.079 0.000 2.259 101 L HA 0.360 4.700 4.340 -0.000 0.000 0.288 101 L C -0.507 176.488 176.870 0.208 0.000 1.051 101 L CA -0.920 53.959 54.840 0.065 0.000 0.824 101 L CB 1.081 43.126 42.059 -0.023 0.000 1.206 101 L HN 0.082 nan 8.230 nan 0.000 0.429 102 V N 2.581 122.590 119.914 0.158 0.000 2.378 102 V HA 0.164 4.284 4.120 -0.000 0.000 0.288 102 V C 0.164 176.376 176.094 0.196 0.000 1.016 102 V CA -0.733 61.692 62.300 0.208 0.000 0.840 102 V CB 1.752 33.672 31.823 0.161 0.000 0.994 102 V HN 0.865 nan 8.190 nan 0.000 0.431 103 C N 9.031 128.493 119.300 0.271 0.000 2.648 103 C HA 0.271 4.731 4.460 -0.000 0.000 0.419 103 C C -0.269 174.813 174.990 0.154 0.000 1.352 103 C CA -0.849 58.295 59.018 0.209 0.000 1.816 103 C CB 0.493 28.385 27.740 0.253 0.000 2.598 103 C HN 0.808 nan 8.230 nan 0.000 0.598 104 P HA -0.054 nan 4.420 nan 0.000 0.245 104 P C 0.925 178.264 177.300 0.065 0.000 1.206 104 P CA 0.901 64.044 63.100 0.070 0.000 0.781 104 P CB -0.023 31.692 31.700 0.026 0.000 0.994 105 Y N 1.818 122.037 120.300 -0.135 0.000 2.138 105 Y HA -0.074 4.476 4.550 -0.000 0.000 0.286 105 Y C 1.324 176.902 175.900 -0.536 0.000 1.115 105 Y CA 1.448 59.319 58.100 -0.383 0.000 1.105 105 Y CB -0.733 37.465 38.460 -0.437 0.000 1.004 105 Y HN 0.091 nan 8.280 nan 0.000 0.494 106 H N -1.285 117.852 119.070 0.112 0.000 2.767 106 H HA 0.298 4.854 4.556 -0.000 0.000 0.260 106 H C -0.147 175.225 175.328 0.073 0.000 1.172 106 H CA 0.215 56.263 56.048 -0.001 0.000 1.048 106 H CB 0.514 30.161 29.762 -0.192 0.000 1.697 106 H HN 0.021 nan 8.280 nan 0.000 0.606 107 Q N -1.643 118.287 119.800 0.218 0.000 2.493 107 Q HA -0.168 4.172 4.340 -0.000 0.000 0.260 107 Q C -0.912 175.284 176.000 0.327 0.000 0.905 107 Q CA 0.416 56.391 55.803 0.287 0.000 1.140 107 Q CB -2.074 26.880 28.738 0.359 0.000 1.435 107 Q HN 0.494 nan 8.270 nan 0.000 0.581 108 W N 0.722 121.985 121.300 -0.061 0.000 2.257 108 W HA 0.308 4.968 4.660 -0.000 0.000 0.337 108 W C 0.591 177.028 176.519 -0.138 0.000 1.321 108 W CA 0.318 57.523 57.345 -0.232 0.000 1.267 108 W CB 0.503 29.805 29.460 -0.263 0.000 1.187 108 W HN -0.103 nan 8.180 nan 0.000 0.565 109 T N 4.759 119.305 114.554 -0.014 0.000 2.809 109 T HA 0.413 4.763 4.350 -0.000 0.000 0.284 109 T C -1.214 173.418 174.700 -0.114 0.000 0.992 109 T CA -0.461 61.688 62.100 0.082 0.000 0.957 109 T CB 0.381 69.406 68.868 0.263 0.000 0.942 109 T HN 0.007 nan 8.240 nan 0.000 0.439 110 Y N 1.104 121.460 120.300 0.094 0.000 2.409 110 Y HA 0.559 5.109 4.550 -0.000 0.000 0.339 110 Y C 0.625 176.515 175.900 -0.016 0.000 1.033 110 Y CA -1.382 56.730 58.100 0.021 0.000 1.094 110 Y CB 1.045 39.480 38.460 -0.042 0.000 1.210 110 Y HN 0.480 nan 8.280 nan 0.000 0.456 111 E N 1.449 121.721 120.200 0.121 0.000 2.408 111 E HA 0.097 4.447 4.350 -0.000 0.000 0.259 111 E C 0.329 176.940 176.600 0.018 0.000 1.110 111 E CA 0.201 56.639 56.400 0.065 0.000 0.929 111 E CB 0.595 30.329 29.700 0.057 0.000 0.971 111 E HN 0.717 nan 8.360 nan 0.000 0.438 112 L N 1.798 123.046 121.223 0.042 0.000 2.633 112 L HA -0.037 4.303 4.340 -0.000 0.000 0.235 112 L C 0.837 177.794 176.870 0.144 0.000 1.163 112 L CA 0.808 55.686 54.840 0.065 0.000 0.859 112 L CB -0.610 41.511 42.059 0.103 0.000 0.973 112 L HN 0.535 nan 8.230 nan 0.000 0.451 113 D N -1.057 119.409 120.400 0.111 0.000 2.340 113 D HA 0.094 4.734 4.640 -0.000 0.000 0.217 113 D C 1.419 177.784 176.300 0.108 0.000 1.081 113 D CA 0.592 54.734 54.000 0.237 0.000 0.842 113 D CB 0.486 41.386 40.800 0.166 0.000 0.934 113 D HN 0.173 nan 8.370 nan 0.000 0.511 114 G N 0.432 109.030 108.800 -0.338 0.000 2.217 114 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.246 114 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.246 114 G C 0.345 175.237 174.900 -0.014 0.000 0.990 114 G CA -0.195 44.609 45.100 -0.493 0.000 0.627 114 G HN 0.429 nan 8.290 nan 0.000 0.522 115 R N -0.004 120.536 120.500 0.067 0.000 2.537 115 R HA 0.398 4.737 4.340 -0.000 0.000 0.280 115 R C 0.204 176.593 176.300 0.149 0.000 1.058 115 R CA -0.561 55.607 56.100 0.112 0.000 1.057 115 R CB 0.732 31.073 30.300 0.069 0.000 0.973 115 R HN 0.229 nan 8.270 nan 0.000 0.438 116 L N 5.000 126.296 121.223 0.121 0.000 2.385 116 L HA 0.048 4.388 4.340 -0.000 0.000 0.281 116 L C 0.518 177.340 176.870 -0.080 0.000 1.106 116 L CA 0.677 55.468 54.840 -0.081 0.000 0.856 116 L CB 0.480 42.476 42.059 -0.106 0.000 1.186 116 L HN 0.700 nan 8.230 nan 0.000 0.453 117 L N 4.325 125.504 121.223 -0.074 0.000 2.354 117 L HA 0.186 4.526 4.340 -0.000 0.000 0.212 117 L C -0.350 176.568 176.870 0.080 0.000 1.091 117 L CA 0.012 54.857 54.840 0.008 0.000 0.828 117 L CB 0.024 42.107 42.059 0.039 0.000 0.973 117 L HN 0.664 nan 8.230 nan 0.000 0.461 118 W N 0.173 121.331 121.300 -0.237 0.000 3.624 118 W HA 0.587 5.247 4.660 -0.000 0.000 0.312 118 W C -1.734 174.534 176.519 -0.419 0.000 1.203 118 W CA -0.913 56.279 57.345 -0.254 0.000 1.225 118 W CB 1.232 30.594 29.460 -0.163 0.000 1.321 118 W HN -0.226 nan 8.180 nan 0.000 0.506 119 A N 5.599 127.663 122.820 -1.260 0.000 2.414 119 A HA 0.649 4.969 4.320 -0.000 0.000 0.286 119 A C -1.227 175.453 177.584 -1.508 0.000 1.073 119 A CA -0.953 50.047 52.037 -1.728 0.000 0.727 119 A CB 1.325 18.937 19.000 -2.313 0.000 1.215 119 A HN 0.691 nan 8.150 nan 0.000 0.430 120 R N 2.533 122.175 120.500 -1.430 0.000 2.442 120 R HA 0.344 4.684 4.340 -0.000 0.000 0.291 120 R C -0.099 175.894 176.300 -0.512 0.000 1.069 120 R CA 0.525 56.135 56.100 -0.818 0.000 1.022 120 R CB 0.201 30.192 30.300 -0.516 0.000 0.976 120 R HN 0.920 nan 8.270 nan 0.000 0.443 124 P HA 0.061 nan 4.420 nan 0.000 0.220 124 P C 0.324 177.642 177.300 0.030 0.000 1.148 124 P CA 1.051 64.159 63.100 0.013 0.000 0.803 124 P CB 0.345 32.048 31.700 0.004 0.000 0.782 125 D N -1.261 119.167 120.400 0.047 0.000 2.339 125 D HA 0.042 4.682 4.640 -0.000 0.000 0.217 125 D C 0.367 176.713 176.300 0.077 0.000 1.050 125 D CA -0.170 53.859 54.000 0.049 0.000 0.856 125 D CB -0.458 40.370 40.800 0.046 0.000 0.922 125 D HN 0.173 nan 8.370 nan 0.000 0.518 126 F N 2.164 122.075 119.950 -0.065 0.000 2.529 126 F HA 0.102 4.628 4.527 -0.000 0.000 0.365 126 F C 0.414 176.172 175.800 -0.070 0.000 1.102 126 F CA -0.215 57.728 58.000 -0.095 0.000 1.271 126 F CB 0.587 39.467 39.000 -0.200 0.000 1.120 126 F HN -0.286 nan 8.300 nan 0.000 0.579 127 E N 8.465 128.187 120.200 -0.796 0.000 2.183 127 E HA 0.189 4.539 4.350 -0.000 0.000 0.250 127 E C -1.827 174.340 176.600 -0.723 0.000 0.901 127 E CA -1.841 54.232 56.400 -0.546 0.000 0.741 127 E CB 1.041 30.601 29.700 -0.234 0.000 1.182 127 E HN 0.427 nan 8.360 nan 0.000 0.425 128 P HA -0.226 nan 4.420 nan 0.000 0.218 128 P C 1.422 178.640 177.300 -0.138 0.000 1.148 128 P CA 1.158 64.024 63.100 -0.390 0.000 0.822 128 P CB 0.172 31.768 31.700 -0.174 0.000 0.784 129 S N -0.548 115.077 115.700 -0.125 0.000 2.440 129 S HA -0.121 4.349 4.470 -0.000 0.000 0.238 129 S C 1.787 176.349 174.600 -0.063 0.000 1.010 129 S CA 0.782 58.944 58.200 -0.063 0.000 0.972 129 S CB -0.789 62.373 63.200 -0.062 0.000 0.774 129 S HN 0.029 nan 8.310 nan 0.000 0.501 130 R N 0.356 120.787 120.500 -0.115 0.000 2.359 130 R HA 0.222 4.562 4.340 -0.000 0.000 0.231 130 R C -0.182 175.879 176.300 -0.398 0.000 0.913 130 R CA 0.280 56.243 56.100 -0.228 0.000 1.075 130 R CB -0.277 29.846 30.300 -0.296 0.000 1.087 130 R HN 0.644 nan 8.270 nan 0.000 0.515 131 H N -1.313 117.760 119.070 0.005 0.000 2.562 131 H HA 0.310 4.866 4.556 -0.000 0.000 0.249 131 H C 0.609 176.111 175.328 0.290 0.000 1.195 131 H CA -0.162 56.000 56.048 0.190 0.000 0.938 131 H CB 0.822 30.771 29.762 0.311 0.000 1.891 131 H HN 0.104 nan 8.280 nan 0.000 0.595 132 G N 0.409 109.360 108.800 0.252 0.000 2.539 132 G HA2 0.331 4.290 3.960 -0.000 0.000 0.258 132 G HA3 0.331 4.290 3.960 -0.000 0.000 0.258 132 G C 0.048 175.070 174.900 0.203 0.000 1.202 132 G CA -0.724 44.538 45.100 0.269 0.000 0.851 132 G HN 0.275 nan 8.290 nan 0.000 0.556 133 L N 0.724 121.983 121.223 0.061 0.000 2.490 133 L HA 0.088 4.428 4.340 -0.000 0.000 0.274 133 L C 0.917 177.857 176.870 0.117 0.000 1.201 133 L CA 0.151 54.945 54.840 -0.077 0.000 0.869 133 L CB 0.391 42.205 42.059 -0.407 0.000 1.123 133 L HN 0.434 nan 8.230 nan 0.000 0.484 134 K N 1.721 122.218 120.400 0.162 0.000 2.350 134 K HA 0.161 4.481 4.320 -0.000 0.000 0.279 134 K C 0.230 177.003 176.600 0.288 0.000 1.027 134 K CA -0.276 56.142 56.287 0.217 0.000 0.969 134 K CB 0.683 33.306 32.500 0.205 0.000 0.954 134 K HN 0.640 nan 8.250 nan 0.000 0.474 135 T N -1.614 113.033 114.554 0.155 0.000 2.922 135 T HA 0.435 4.785 4.350 -0.000 0.000 0.285 135 T C 0.016 174.577 174.700 -0.231 0.000 1.005 135 T CA -0.934 61.148 62.100 -0.031 0.000 1.061 135 T CB 1.170 69.989 68.868 -0.081 0.000 1.007 135 T HN 0.158 nan 8.240 nan 0.000 0.502 136 V N 2.718 122.383 119.914 -0.415 0.000 2.540 136 V HA 0.322 4.441 4.120 -0.000 0.000 0.302 136 V C 0.088 175.963 176.094 -0.365 0.000 1.035 136 V CA -1.113 60.920 62.300 -0.444 0.000 0.873 136 V CB 1.410 32.939 31.823 -0.490 0.000 0.992 136 V HN 0.922 nan 8.190 nan 0.000 0.428 137 H N 1.970 120.934 119.070 -0.176 0.000 2.928 137 H HA 0.211 4.767 4.556 -0.000 0.000 0.338 137 H C -0.132 175.214 175.328 0.030 0.000 1.047 137 H CA 0.325 56.328 56.048 -0.076 0.000 1.435 137 H CB 1.075 30.754 29.762 -0.138 0.000 1.428 137 H HN 0.698 nan 8.280 nan 0.000 0.590 138 C N 5.295 124.720 119.300 0.208 0.000 2.608 138 C HA 0.472 4.932 4.460 -0.000 0.000 0.325 138 C C -0.925 174.072 174.990 0.013 0.000 1.147 138 C CA -0.698 58.390 59.018 0.116 0.000 1.359 138 C CB 0.909 28.626 27.740 -0.037 0.000 1.912 138 C HN 0.795 nan 8.230 nan 0.000 0.466 139 R N 3.135 123.558 120.500 -0.128 0.000 2.725 139 R HA 0.521 4.861 4.340 -0.000 0.000 0.277 139 R C -1.157 175.024 176.300 -0.198 0.000 0.987 139 R CA -0.506 55.361 56.100 -0.389 0.000 0.901 139 R CB 2.026 31.578 30.300 -1.246 0.000 1.207 139 R HN 0.883 nan 8.270 nan 0.000 0.463 140 E N 2.173 122.297 120.200 -0.127 0.000 2.145 140 E HA 0.326 4.676 4.350 -0.000 0.000 0.270 140 E C -1.262 175.342 176.600 0.007 0.000 0.906 140 E CA -0.772 55.620 56.400 -0.013 0.000 0.761 140 E CB 1.137 30.830 29.700 -0.011 0.000 1.116 140 E HN 0.212 nan 8.360 nan 0.000 0.408 141 L N 4.683 125.952 121.223 0.077 0.000 2.345 141 L HA 0.518 4.858 4.340 -0.000 0.000 0.274 141 L C -0.136 176.716 176.870 -0.030 0.000 0.999 141 L CA 0.119 54.960 54.840 0.003 0.000 0.849 141 L CB 0.933 42.968 42.059 -0.041 0.000 1.220 141 L HN 0.727 nan 8.230 nan 0.000 0.422 142 A N 3.952 126.732 122.820 -0.067 0.000 2.596 142 A HA 0.100 4.420 4.320 -0.000 0.000 0.300 142 A C 1.516 179.087 177.584 -0.021 0.000 1.495 142 A CA 1.452 53.449 52.037 -0.068 0.000 0.769 142 A CB -2.106 16.819 19.000 -0.124 0.000 1.047 142 A HN 2.489 nan 8.150 nan 0.000 0.436 143 G N -3.043 105.765 108.800 0.013 0.000 2.157 143 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.239 143 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.239 143 G C -0.066 174.890 174.900 0.094 0.000 0.982 143 G CA 0.332 45.457 45.100 0.043 0.000 0.650 143 G HN 1.495 nan 8.290 nan 0.000 0.527 144 L N 1.254 122.561 121.223 0.140 0.000 2.362 144 L HA 0.613 4.953 4.340 -0.000 0.000 0.275 144 L C 0.018 177.059 176.870 0.284 0.000 0.998 144 L CA -1.366 53.630 54.840 0.260 0.000 0.820 144 L CB 1.678 43.915 42.059 0.296 0.000 1.270 144 L HN -0.107 nan 8.230 nan 0.000 0.415 145 I N 2.906 123.595 120.570 0.199 0.000 2.331 145 I HA 0.298 4.468 4.170 -0.000 0.000 0.292 145 I C -0.423 175.730 176.117 0.061 0.000 0.998 145 I CA -0.350 61.014 61.300 0.106 0.000 1.267 145 I CB 0.729 38.722 38.000 -0.012 0.000 1.386 145 I HN 0.405 nan 8.210 nan 0.000 0.476 146 Y N 6.223 126.580 120.300 0.095 0.000 2.446 146 Y HA 0.648 5.198 4.550 -0.000 0.000 0.338 146 Y C 0.527 176.575 175.900 0.247 0.000 1.055 146 Y CA -0.727 57.494 58.100 0.202 0.000 1.101 146 Y CB 2.006 40.583 38.460 0.195 0.000 1.221 146 Y HN 0.456 nan 8.280 nan 0.000 0.460 147 I N -0.501 120.352 120.570 0.471 0.000 3.002 147 I HA 0.842 5.012 4.170 -0.000 0.000 0.310 147 I C -1.330 174.921 176.117 0.223 0.000 1.087 147 I CA -0.946 60.559 61.300 0.342 0.000 1.017 147 I CB 2.344 40.414 38.000 0.117 0.000 1.226 147 I HN 0.617 nan 8.210 nan 0.000 0.443 148 C N 3.934 123.158 119.300 -0.126 0.000 2.642 148 C HA 0.517 4.977 4.460 -0.000 0.000 0.344 148 C C 0.744 175.612 174.990 -0.203 0.000 1.110 148 C CA -0.494 58.296 59.018 -0.381 0.000 1.298 148 C CB 0.980 27.998 27.740 -1.203 0.000 1.827 148 C HN 0.959 nan 8.230 nan 0.000 0.467 149 L N 3.897 125.008 121.223 -0.186 0.000 2.558 149 L HA 0.262 4.602 4.340 -0.000 0.000 0.225 149 L C 1.680 178.447 176.870 -0.173 0.000 1.128 149 L CA 0.530 55.210 54.840 -0.267 0.000 0.868 149 L CB -0.425 41.362 42.059 -0.454 0.000 1.006 149 L HN 0.835 nan 8.230 nan 0.000 0.454 150 A N -0.174 122.597 122.820 -0.081 0.000 2.386 150 A HA 0.067 4.387 4.320 -0.000 0.000 0.248 150 A C 0.778 178.401 177.584 0.065 0.000 1.082 150 A CA -0.398 51.627 52.037 -0.020 0.000 0.789 150 A CB 0.303 19.274 19.000 -0.049 0.000 1.025 150 A HN 0.118 nan 8.150 nan 0.000 0.490 151 D N 0.468 120.903 120.400 0.058 0.000 2.104 151 D HA -0.092 4.548 4.640 -0.000 0.000 0.194 151 D C 0.182 176.603 176.300 0.201 0.000 0.994 151 D CA 1.562 55.620 54.000 0.098 0.000 0.830 151 D CB 0.114 40.947 40.800 0.054 0.000 0.959 151 D HN 0.742 nan 8.370 nan 0.000 0.452 152 E N -0.003 120.248 120.200 0.086 0.000 2.129 152 E HA 0.553 4.903 4.350 -0.000 0.000 0.268 152 E C -0.816 175.700 176.600 -0.140 0.000 0.900 152 E CA -0.541 55.866 56.400 0.011 0.000 0.755 152 E CB 2.017 31.726 29.700 0.015 0.000 1.117 152 E HN 0.048 nan 8.360 nan 0.000 0.410 153 A N 4.684 127.263 122.820 -0.401 0.000 2.371 153 A HA 0.454 4.774 4.320 -0.000 0.000 0.257 153 A C -1.978 175.530 177.584 -0.127 0.000 1.089 153 A CA -1.130 50.612 52.037 -0.491 0.000 0.794 153 A CB -0.116 18.362 19.000 -0.869 0.000 1.029 153 A HN 0.407 nan 8.150 nan 0.000 0.488 154 P HA 0.171 nan 4.420 nan 0.000 0.274 154 P C -0.520 177.041 177.300 0.435 0.000 1.260 154 P CA -0.394 62.818 63.100 0.186 0.000 0.793 154 P CB 0.209 32.031 31.700 0.203 0.000 1.048 155 D N -0.666 119.930 120.400 0.326 0.000 2.493 155 D HA -0.086 4.554 4.640 -0.000 0.000 0.240 155 D C 0.093 176.620 176.300 0.378 0.000 1.142 155 D CA 0.259 54.440 54.000 0.301 0.000 0.872 155 D CB -0.017 40.894 40.800 0.185 0.000 1.173 155 D HN 0.240 nan 8.370 nan 0.000 0.467 156 F N 2.558 122.536 119.950 0.046 0.000 2.678 156 F HA 0.169 4.696 4.527 -0.000 0.000 0.291 156 F C 1.817 177.496 175.800 -0.202 0.000 1.123 156 F CA 0.039 57.861 58.000 -0.296 0.000 1.395 156 F CB 0.403 38.949 39.000 -0.758 0.000 1.121 156 F HN 0.368 nan 8.300 nan 0.000 0.592 157 E N 0.527 120.701 120.200 -0.042 0.000 2.152 157 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 157 E C 2.220 178.723 176.600 -0.162 0.000 0.983 157 E CA 0.708 57.041 56.400 -0.112 0.000 0.818 157 E CB -0.268 29.420 29.700 -0.021 0.000 0.758 157 E HN 0.440 nan 8.360 nan 0.000 0.467 158 R N -0.126 120.334 120.500 -0.068 0.000 2.073 158 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 158 R C 2.304 178.549 176.300 -0.091 0.000 1.134 158 R CA 1.352 57.445 56.100 -0.011 0.000 0.952 158 R CB -0.487 29.883 30.300 0.115 0.000 0.850 158 R HN 0.136 nan 8.270 nan 0.000 0.433 159 F N 1.578 121.267 119.950 -0.435 0.000 2.065 159 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 159 F C 2.203 177.443 175.800 -0.933 0.000 1.112 159 F CA 1.430 58.819 58.000 -1.020 0.000 1.212 159 F CB -0.855 37.425 39.000 -1.199 0.000 0.975 159 F HN 0.006 nan 8.300 nan 0.000 0.476 160 A N 0.275 122.398 122.820 -1.163 0.000 1.908 160 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 160 A C 2.154 179.370 177.584 -0.613 0.000 1.181 160 A CA 1.853 53.276 52.037 -1.022 0.000 0.627 160 A CB -0.860 17.735 19.000 -0.675 0.000 0.818 160 A HN 0.486 nan 8.150 nan 0.000 0.445 161 E N -0.263 119.690 120.200 -0.412 0.000 2.153 161 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 161 E C 2.194 178.640 176.600 -0.256 0.000 0.988 161 E CA 1.255 57.497 56.400 -0.263 0.000 0.811 161 E CB -0.442 29.158 29.700 -0.166 0.000 0.746 161 E HN 0.426 nan 8.360 nan 0.000 0.466 162 V N 1.056 120.782 119.914 -0.313 0.000 2.346 162 V HA -0.143 3.977 4.120 -0.000 0.000 0.244 162 V C 2.336 178.267 176.094 -0.273 0.000 1.037 162 V CA 1.729 63.853 62.300 -0.294 0.000 1.029 162 V CB -0.627 30.998 31.823 -0.330 0.000 0.663 162 V HN 0.232 nan 8.190 nan 0.000 0.454 163 A N -0.513 122.011 122.820 -0.494 0.000 1.970 163 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 163 A C 2.352 179.752 177.584 -0.308 0.000 1.170 163 A CA 1.293 53.039 52.037 -0.485 0.000 0.645 163 A CB -0.485 18.009 19.000 -0.844 0.000 0.816 163 A HN 0.418 nan 8.150 nan 0.000 0.447 164 R N -0.056 120.238 120.500 -0.342 0.000 2.096 164 R HA -0.135 4.204 4.340 -0.000 0.000 0.240 164 R C -0.932 175.272 176.300 -0.160 0.000 1.139 164 R CA 2.060 58.007 56.100 -0.256 0.000 0.952 164 R CB -1.077 29.078 30.300 -0.242 0.000 0.854 164 R HN 0.368 nan 8.270 nan 0.000 0.436 165 P HA -0.109 nan 4.420 nan 0.000 0.219 165 P C 0.428 177.623 177.300 -0.174 0.000 1.150 165 P CA 1.224 64.229 63.100 -0.158 0.000 0.814 165 P CB -0.062 31.516 31.700 -0.203 0.000 0.787 166 Y N -0.724 119.456 120.300 -0.201 0.000 2.200 166 Y HA -0.087 4.462 4.550 -0.000 0.000 0.290 166 Y C 2.283 178.070 175.900 -0.189 0.000 1.137 166 Y CA 1.062 59.056 58.100 -0.177 0.000 1.163 166 Y CB -1.345 37.000 38.460 -0.192 0.000 0.988 166 Y HN -0.164 nan 8.280 nan 0.000 0.518 167 L N -0.364 120.798 121.223 -0.102 0.000 2.156 167 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 167 L C 2.078 178.866 176.870 -0.138 0.000 1.095 167 L CA 1.197 55.886 54.840 -0.251 0.000 0.770 167 L CB -0.429 41.434 42.059 -0.327 0.000 0.914 167 L HN 0.246 nan 8.230 nan 0.000 0.439 168 E N -0.289 119.836 120.200 -0.124 0.000 2.265 168 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 168 E C 2.233 178.760 176.600 -0.121 0.000 0.996 168 E CA 0.837 57.172 56.400 -0.108 0.000 0.832 168 E CB 0.010 29.643 29.700 -0.111 0.000 0.756 168 E HN 0.279 nan 8.360 nan 0.000 0.491 169 V N 1.218 121.028 119.914 -0.173 0.000 2.453 169 V HA -0.251 3.869 4.120 -0.000 0.000 0.252 169 V C 1.683 177.520 176.094 -0.428 0.000 1.068 169 V CA 1.699 63.809 62.300 -0.317 0.000 1.070 169 V CB -0.519 31.056 31.823 -0.413 0.000 0.664 169 V HN 0.408 nan 8.190 nan 0.000 0.461 170 H N -1.267 117.760 119.070 -0.072 0.000 2.551 170 H HA 0.129 4.685 4.556 -0.000 0.000 0.271 170 H C 0.919 176.261 175.328 0.025 0.000 0.984 170 H CA 0.496 56.542 56.048 -0.004 0.000 1.164 170 H CB 0.100 29.863 29.762 0.001 0.000 1.437 170 H HN 0.431 nan 8.280 nan 0.000 0.550 171 D N 0.914 121.339 120.400 0.042 0.000 2.689 171 D HA -0.191 4.449 4.640 -0.000 0.000 0.237 171 D C 0.932 177.265 176.300 0.056 0.000 1.148 171 D CA 0.104 54.128 54.000 0.041 0.000 0.656 171 D CB -1.385 39.453 40.800 0.064 0.000 1.050 171 D HN 0.377 nan 8.370 nan 0.000 0.426 172 L N -0.489 120.768 121.223 0.057 0.000 2.376 172 L HA -0.048 4.292 4.340 -0.000 0.000 0.219 172 L C 2.356 179.249 176.870 0.037 0.000 1.133 172 L CA 0.962 55.845 54.840 0.073 0.000 0.816 172 L CB -0.238 41.876 42.059 0.091 0.000 0.933 172 L HN 0.075 nan 8.230 nan 0.000 0.449 173 S N -0.015 115.695 115.700 0.016 0.000 2.447 173 S HA -0.051 4.419 4.470 -0.000 0.000 0.233 173 S C 1.298 175.887 174.600 -0.019 0.000 1.006 173 S CA 0.807 59.009 58.200 0.002 0.000 0.957 173 S CB -0.160 63.039 63.200 -0.002 0.000 0.773 173 S HN 0.462 nan 8.310 nan 0.000 0.507 174 N N 1.136 119.814 118.700 -0.037 0.000 2.279 174 N HA 0.332 5.072 4.740 -0.000 0.000 0.226 174 N C -0.001 175.391 175.510 -0.196 0.000 1.126 174 N CA -0.004 52.975 53.050 -0.118 0.000 0.846 174 N CB 0.550 38.964 38.487 -0.123 0.000 1.050 174 N HN 0.285 nan 8.380 nan 0.000 0.502 175 A N 1.239 124.012 122.820 -0.077 0.000 2.246 175 A HA 0.542 4.862 4.320 -0.000 0.000 0.291 175 A C 0.476 178.038 177.584 -0.037 0.000 1.103 175 A CA -0.318 51.692 52.037 -0.045 0.000 0.844 175 A CB 0.739 19.761 19.000 0.037 0.000 1.136 175 A HN 0.277 nan 8.150 nan 0.000 0.500 176 K N -0.855 119.543 120.400 -0.003 0.000 2.443 176 K HA 0.641 4.961 4.320 -0.000 0.000 0.251 176 K C -1.642 174.981 176.600 0.038 0.000 0.972 176 K CA -0.810 55.488 56.287 0.018 0.000 0.833 176 K CB 1.738 34.257 32.500 0.030 0.000 1.317 176 K HN 0.224 nan 8.250 nan 0.000 0.441 177 V N 2.544 122.481 119.914 0.039 0.000 2.397 177 V HA 0.101 4.221 4.120 -0.000 0.000 0.262 177 V C 1.214 177.358 176.094 0.083 0.000 1.047 177 V CA 0.252 62.586 62.300 0.056 0.000 1.003 177 V CB 0.047 31.887 31.823 0.028 0.000 1.037 177 V HN 1.005 nan 8.190 nan 0.000 0.480 178 A N 4.030 126.912 122.820 0.103 0.000 1.968 178 A HA 0.014 4.333 4.320 -0.000 0.000 0.217 178 A C 0.895 178.593 177.584 0.190 0.000 1.169 178 A CA 1.147 53.258 52.037 0.124 0.000 0.638 178 A CB -0.145 18.840 19.000 -0.025 0.000 0.812 178 A HN 0.892 nan 8.150 nan 0.000 0.446 179 H N -1.822 117.292 119.070 0.073 0.000 3.085 179 H HA 0.541 5.097 4.556 -0.000 0.000 0.356 179 H C -1.405 174.046 175.328 0.205 0.000 1.178 179 H CA -0.554 55.514 56.048 0.033 0.000 1.214 179 H CB 1.124 30.735 29.762 -0.252 0.000 1.881 179 H HN 0.251 nan 8.280 nan 0.000 0.538 180 E N 2.996 122.955 120.200 -0.402 0.000 2.238 180 E HA 0.554 4.904 4.350 -0.000 0.000 0.267 180 E C -1.355 175.045 176.600 -0.333 0.000 0.887 180 E CA -0.794 55.486 56.400 -0.201 0.000 0.769 180 E CB 1.743 31.357 29.700 -0.144 0.000 1.187 180 E HN 0.405 nan 8.360 nan 0.000 0.416 181 S N 2.398 118.089 115.700 -0.014 0.000 2.571 181 S HA 0.452 4.922 4.470 -0.000 0.000 0.284 181 S C -1.509 173.107 174.600 0.025 0.000 1.128 181 S CA -0.567 57.660 58.200 0.046 0.000 0.970 181 S CB 1.631 65.004 63.200 0.288 0.000 1.039 181 S HN 0.388 nan 8.310 nan 0.000 0.485 182 S N 5.174 120.883 115.700 0.016 0.000 2.561 182 S HA 0.758 5.227 4.470 -0.000 0.000 0.303 182 S C -0.600 174.023 174.600 0.039 0.000 1.110 182 S CA -0.813 57.395 58.200 0.014 0.000 1.034 182 S CB 0.286 63.485 63.200 -0.002 0.000 1.010 182 S HN 0.814 nan 8.310 nan 0.000 0.482 183 I N 1.544 122.144 120.570 0.051 0.000 2.689 183 I HA 0.760 4.929 4.170 -0.000 0.000 0.299 183 I C -1.199 174.947 176.117 0.048 0.000 1.059 183 I CA -1.280 60.055 61.300 0.058 0.000 1.055 183 I CB 2.131 40.182 38.000 0.084 0.000 1.243 183 I HN 0.287 nan 8.210 nan 0.000 0.425 184 V N 4.223 124.159 119.914 0.036 0.000 2.370 184 V HA 0.316 4.436 4.120 -0.000 0.000 0.279 184 V C 0.057 176.165 176.094 0.023 0.000 1.029 184 V CA -0.378 61.939 62.300 0.028 0.000 0.870 184 V CB 1.062 32.894 31.823 0.014 0.000 0.984 184 V HN 0.744 nan 8.190 nan 0.000 0.451 185 E N 4.378 124.594 120.200 0.028 0.000 2.197 185 E HA 0.367 4.717 4.350 -0.000 0.000 0.281 185 E C -0.221 176.372 176.600 -0.011 0.000 0.995 185 E CA -0.642 55.766 56.400 0.014 0.000 0.808 185 E CB 1.506 31.226 29.700 0.033 0.000 1.093 185 E HN 0.466 nan 8.360 nan 0.000 0.394 186 R N 2.083 122.554 120.500 -0.047 0.000 4.792 186 R HA 0.202 4.542 4.340 -0.000 0.000 0.205 186 R C 0.002 176.252 176.300 -0.083 0.000 1.875 186 R CA -0.304 55.753 56.100 -0.072 0.000 1.588 186 R CB 0.143 30.380 30.300 -0.105 0.000 1.401 186 R HN 0.411 nan 8.270 nan 0.000 0.834 187 G N -0.048 108.725 108.800 -0.045 0.000 2.659 187 G HA2 0.063 4.022 3.960 -0.000 0.000 0.296 187 G HA3 0.063 4.022 3.960 -0.000 0.000 0.296 187 G C -1.068 173.848 174.900 0.026 0.000 1.369 187 G CA -0.687 44.388 45.100 -0.042 0.000 0.937 187 G HN 0.246 nan 8.290 nan 0.000 0.485 188 N N 1.049 119.776 118.700 0.045 0.000 2.353 188 N HA -0.070 4.670 4.740 -0.000 0.000 0.248 188 N C 1.707 177.317 175.510 0.168 0.000 1.240 188 N CA 0.127 53.267 53.050 0.151 0.000 0.862 188 N CB 0.578 39.177 38.487 0.187 0.000 1.086 188 N HN 0.747 nan 8.380 nan 0.000 0.453 189 W N 5.131 126.567 121.300 0.227 0.000 2.350 189 W HA -0.152 4.508 4.660 0.000 0.000 0.289 189 W C 0.850 177.565 176.519 0.327 0.000 1.215 189 W CA 0.561 58.064 57.345 0.263 0.000 1.236 189 W CB -0.585 29.076 29.460 0.335 0.000 1.130 189 W HN 0.536 nan 8.180 nan 0.000 0.541 190 K N 0.819 120.883 120.400 -0.561 0.000 2.155 190 K HA -0.047 4.273 4.320 -0.000 0.000 0.203 190 K C 2.288 178.836 176.600 -0.088 0.000 1.052 190 K CA 1.386 57.406 56.287 -0.444 0.000 0.948 190 K CB -0.335 31.810 32.500 -0.592 0.000 0.728 190 K HN 0.216 nan 8.250 nan 0.000 0.448 191 L N 0.623 121.808 121.223 -0.064 0.000 2.156 191 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 191 L C 2.265 179.074 176.870 -0.102 0.000 1.095 191 L CA 0.613 55.380 54.840 -0.121 0.000 0.770 191 L CB -0.423 41.509 42.059 -0.211 0.000 0.914 191 L HN -0.045 nan 8.230 nan 0.000 0.439 192 V N -1.093 118.786 119.914 -0.058 0.000 2.332 192 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 192 V C 2.118 178.082 176.094 -0.218 0.000 1.055 192 V CA 2.035 64.282 62.300 -0.088 0.000 1.038 192 V CB -0.637 31.184 31.823 -0.004 0.000 0.651 192 V HN 0.494 nan 8.190 nan 0.000 0.450 193 W N 0.334 121.476 121.300 -0.264 0.000 2.379 193 W HA -0.096 4.564 4.660 -0.001 0.000 0.307 193 W C 2.609 178.750 176.519 -0.630 0.000 1.200 193 W CA 1.301 58.286 57.345 -0.600 0.000 1.297 193 W CB -0.152 28.510 29.460 -1.330 0.000 1.140 193 W HN 0.214 nan 8.180 nan 0.000 0.507 194 E N -0.070 119.982 120.200 -0.248 0.000 2.085 194 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 194 E C 1.704 178.265 176.600 -0.066 0.000 0.994 194 E CA 1.540 57.872 56.400 -0.114 0.000 0.801 194 E CB -0.483 29.229 29.700 0.020 0.000 0.743 194 E HN 0.272 nan 8.360 nan 0.000 0.453 195 N N 1.170 119.813 118.700 -0.095 0.000 2.120 195 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 195 N C 1.614 177.088 175.510 -0.060 0.000 1.024 195 N CA 1.300 54.305 53.050 -0.076 0.000 0.852 195 N CB -0.136 38.248 38.487 -0.171 0.000 1.003 195 N HN 0.103 nan 8.380 nan 0.000 0.424 196 N N 0.212 118.745 118.700 -0.279 0.000 2.309 196 N HA -0.102 4.637 4.740 -0.000 0.000 0.182 196 N C 0.502 175.860 175.510 -0.255 0.000 1.018 196 N CA 0.674 53.416 53.050 -0.514 0.000 0.876 196 N CB 0.052 37.834 38.487 -1.176 0.000 0.972 196 N HN 0.246 nan 8.380 nan 0.000 0.434 197 R N 0.863 121.300 120.500 -0.105 0.000 2.391 197 R HA 0.059 4.399 4.340 -0.000 0.000 0.249 197 R C -0.444 175.876 176.300 0.034 0.000 0.957 197 R CA 0.164 56.255 56.100 -0.014 0.000 1.093 197 R CB 0.203 30.491 30.300 -0.021 0.000 1.156 197 R HN 0.491 nan 8.270 nan 0.000 0.526 198 E N -2.244 117.992 120.200 0.059 0.000 2.413 198 E HA 0.211 4.561 4.350 -0.000 0.000 0.277 198 E C -0.735 175.878 176.600 0.022 0.000 0.958 198 E CA -0.814 55.637 56.400 0.085 0.000 0.779 198 E CB 1.080 30.861 29.700 0.136 0.000 1.278 198 E HN -0.117 nan 8.360 nan 0.000 0.456 199 C N 1.795 121.098 119.300 0.005 0.000 3.115 199 C HA 0.265 4.725 4.460 -0.000 0.000 0.277 199 C C 0.689 175.649 174.990 -0.050 0.000 1.460 199 C CA -0.401 58.551 59.018 -0.111 0.000 1.789 199 C CB -1.497 26.285 27.740 0.069 0.000 2.674 199 C HN 0.806 nan 8.230 nan 0.000 0.582 200 Y N 2.217 122.453 120.300 -0.106 0.000 2.256 200 Y HA -0.183 4.367 4.550 -0.000 0.000 0.288 200 Y C 2.527 178.403 175.900 -0.040 0.000 1.155 200 Y CA 2.308 60.388 58.100 -0.034 0.000 1.203 200 Y CB -0.578 37.906 38.460 0.040 0.000 0.980 200 Y HN 0.667 nan 8.280 nan 0.000 0.530 201 H N -3.442 115.642 119.070 0.023 0.000 2.539 201 H HA 0.060 4.616 4.556 -0.000 0.000 0.267 201 H C 2.014 177.263 175.328 -0.132 0.000 0.982 201 H CA 0.769 56.743 56.048 -0.122 0.000 1.146 201 H CB -0.996 28.690 29.762 -0.127 0.000 1.382 201 H HN 0.336 nan 8.280 nan 0.000 0.577 202 C N 1.372 120.512 119.300 -0.266 0.000 2.453 202 C HA -0.023 4.436 4.460 -0.000 0.000 0.277 202 C C 3.227 178.187 174.990 -0.049 0.000 1.262 202 C CA 1.258 60.210 59.018 -0.109 0.000 1.718 202 C CB -1.163 26.579 27.740 0.004 0.000 2.031 202 C HN 0.796 nan 8.230 nan 0.000 0.480 203 G N 0.262 109.041 108.800 -0.035 0.000 2.469 203 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.220 203 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.220 203 G C 1.692 176.566 174.900 -0.043 0.000 1.136 203 G CA 1.276 46.363 45.100 -0.022 0.000 0.759 203 G HN 0.611 nan 8.290 nan 0.000 0.562 204 G N -0.804 107.953 108.800 -0.072 0.000 2.777 204 G HA2 0.038 3.998 3.960 -0.000 0.000 0.211 204 G HA3 0.038 3.998 3.960 -0.000 0.000 0.211 204 G C 1.355 176.191 174.900 -0.106 0.000 1.149 204 G CA 0.470 45.520 45.100 -0.083 0.000 0.785 204 G HN 0.440 nan 8.290 nan 0.000 0.536 205 N N -0.645 117.957 118.700 -0.162 0.000 2.166 205 N HA 0.041 4.781 4.740 -0.000 0.000 0.222 205 N C -0.510 174.830 175.510 -0.283 0.000 1.282 205 N CA -0.016 52.878 53.050 -0.260 0.000 0.890 205 N CB 0.760 39.024 38.487 -0.372 0.000 1.114 205 N HN 0.194 nan 8.380 nan 0.000 0.494 206 H N 0.559 119.626 119.070 -0.006 0.000 2.340 206 H HA 0.320 4.876 4.556 0.000 0.000 0.233 206 H C -1.706 173.592 175.328 -0.051 0.000 1.435 206 H CA -1.615 54.403 56.048 -0.050 0.000 1.389 206 H CB 1.384 31.090 29.762 -0.094 0.000 1.491 206 H HN 0.023 nan 8.280 nan 0.000 0.518 207 P HA -0.169 nan 4.420 nan 0.000 0.215 207 P C 1.591 178.904 177.300 0.022 0.000 1.157 207 P CA 1.790 64.910 63.100 0.033 0.000 0.874 207 P CB 0.397 32.109 31.700 0.019 0.000 0.790 208 A N -1.035 121.786 122.820 0.001 0.000 1.897 208 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 208 A C 2.173 179.725 177.584 -0.054 0.000 1.181 208 A CA 1.285 53.310 52.037 -0.021 0.000 0.620 208 A CB -1.592 17.388 19.000 -0.035 0.000 0.821 208 A HN 0.147 nan 8.150 nan 0.000 0.443 209 L N -0.221 120.913 121.223 -0.148 0.000 2.046 209 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 209 L C 2.276 179.139 176.870 -0.011 0.000 1.077 209 L CA 1.944 56.642 54.840 -0.236 0.000 0.747 209 L CB -0.700 41.015 42.059 -0.573 0.000 0.896 209 L HN 0.445 nan 8.230 nan 0.000 0.432 210 C N -0.288 119.035 119.300 0.038 0.000 2.430 210 C HA -0.071 4.389 4.460 -0.000 0.000 0.288 210 C C 2.649 177.686 174.990 0.079 0.000 1.448 210 C CA 0.332 59.402 59.018 0.087 0.000 1.784 210 C CB -1.465 26.318 27.740 0.071 0.000 1.776 210 C HN 0.472 nan 8.230 nan 0.000 0.547 211 R N 0.626 121.168 120.500 0.069 0.000 2.148 211 R HA -0.101 4.239 4.340 -0.000 0.000 0.227 211 R C 1.999 178.359 176.300 0.101 0.000 1.103 211 R CA 1.972 58.115 56.100 0.072 0.000 0.983 211 R CB -0.341 29.997 30.300 0.064 0.000 0.874 211 R HN 0.771 nan 8.270 nan 0.000 0.451 212 T N -4.143 110.507 114.554 0.159 0.000 2.980 212 T HA 0.120 4.470 4.350 -0.000 0.000 0.252 212 T C 0.130 175.002 174.700 0.287 0.000 0.962 212 T CA -0.415 61.812 62.100 0.212 0.000 0.932 212 T CB 0.153 69.190 68.868 0.282 0.000 1.188 212 T HN -0.017 nan 8.240 nan 0.000 0.500 213 F N 5.258 125.292 119.950 0.138 0.000 2.385 213 F HA 0.594 5.121 4.527 -0.000 0.000 0.360 213 F C -2.633 173.210 175.800 0.072 0.000 1.122 213 F CA -3.037 55.052 58.000 0.150 0.000 1.090 213 F CB 1.468 40.509 39.000 0.069 0.000 1.150 213 F HN -0.123 nan 8.300 nan 0.000 0.472 214 P HA 0.116 nan 4.420 nan 0.000 0.275 214 P C -0.474 176.608 177.300 -0.363 0.000 1.227 214 P CA -0.076 62.833 63.100 -0.318 0.000 0.781 214 P CB 0.875 32.407 31.700 -0.281 0.000 0.906 215 D N -0.066 120.256 120.400 -0.130 0.000 2.336 215 D HA -0.011 4.629 4.640 -0.000 0.000 0.228 215 D C -0.043 176.224 176.300 -0.054 0.000 1.120 215 D CA -0.219 53.750 54.000 -0.051 0.000 0.839 215 D CB -0.700 40.112 40.800 0.019 0.000 0.932 215 D HN 0.164 nan 8.370 nan 0.000 0.509 216 D N 1.727 122.068 120.400 -0.099 0.000 2.581 216 D HA -0.052 4.588 4.640 -0.000 0.000 0.238 216 D C -1.452 174.815 176.300 -0.055 0.000 1.145 216 D CA -1.156 52.797 54.000 -0.079 0.000 0.866 216 D CB 1.391 42.129 40.800 -0.104 0.000 1.151 216 D HN -0.019 nan 8.370 nan 0.000 0.500 217 P HA -0.049 nan 4.420 nan 0.000 0.223 217 P C 0.952 178.250 177.300 -0.003 0.000 1.151 217 P CA 0.578 63.672 63.100 -0.010 0.000 0.787 217 P CB 0.269 31.954 31.700 -0.025 0.000 0.788 218 S N -0.987 114.698 115.700 -0.025 0.000 2.453 218 S HA -0.057 4.413 4.470 -0.000 0.000 0.231 218 S C 1.869 176.477 174.600 0.013 0.000 1.005 218 S CA 0.785 58.968 58.200 -0.029 0.000 0.949 218 S CB -0.912 62.253 63.200 -0.059 0.000 0.774 218 S HN 0.006 nan 8.310 nan 0.000 0.510 219 V N 2.315 122.234 119.914 0.008 0.000 2.256 219 V HA -0.136 3.984 4.120 -0.000 0.000 0.240 219 V C 2.852 179.043 176.094 0.161 0.000 1.036 219 V CA 2.098 64.428 62.300 0.049 0.000 1.008 219 V CB -1.460 30.301 31.823 -0.104 0.000 0.648 219 V HN 0.660 nan 8.190 nan 0.000 0.453 220 T N -1.116 113.529 114.554 0.152 0.000 2.812 220 T HA 0.097 4.447 4.350 -0.000 0.000 0.264 220 T C 1.219 176.052 174.700 0.220 0.000 1.042 220 T CA 0.930 63.176 62.100 0.242 0.000 1.140 220 T CB -0.633 68.383 68.868 0.246 0.000 0.870 220 T HN 0.539 nan 8.240 nan 0.000 0.445 221 G N 1.229 110.120 108.800 0.153 0.000 2.508 221 G HA2 0.529 4.489 3.960 -0.000 0.000 0.278 221 G HA3 0.529 4.489 3.960 -0.000 0.000 0.278 221 G C -0.588 174.416 174.900 0.174 0.000 1.389 221 G CA -0.756 44.426 45.100 0.137 0.000 1.050 221 G HN 0.353 nan 8.290 nan 0.000 0.522 222 I N 1.037 121.687 120.570 0.135 0.000 2.437 222 I HA 0.324 4.493 4.170 -0.000 0.000 0.279 222 I C -0.384 175.753 176.117 0.032 0.000 1.028 222 I CA -0.421 60.964 61.300 0.141 0.000 1.142 222 I CB 0.796 38.922 38.000 0.209 0.000 1.266 222 I HN 0.477 nan 8.210 nan 0.000 0.461 223 E N 3.399 123.564 120.200 -0.059 0.000 2.195 223 E HA 0.443 4.793 4.350 -0.000 0.000 0.271 223 E C 0.835 177.379 176.600 -0.093 0.000 0.923 223 E CA -0.602 55.755 56.400 -0.072 0.000 0.790 223 E CB 2.466 32.113 29.700 -0.088 0.000 1.155 223 E HN 0.679 nan 8.360 nan 0.000 0.402 224 G N 2.392 111.159 108.800 -0.054 0.000 2.572 224 G HA2 -0.019 3.940 3.960 -0.000 0.000 0.216 224 G HA3 -0.019 3.940 3.960 -0.000 0.000 0.216 224 G C 0.768 175.635 174.900 -0.055 0.000 1.133 224 G CA 0.339 45.413 45.100 -0.044 0.000 0.791 224 G HN 0.512 nan 8.290 nan 0.000 0.538 225 G N -0.341 108.420 108.800 -0.065 0.000 2.684 225 G HA2 0.347 4.307 3.960 -0.000 0.000 0.255 225 G HA3 0.347 4.307 3.960 -0.000 0.000 0.255 225 G C -0.142 174.723 174.900 -0.059 0.000 1.219 225 G CA -0.510 44.557 45.100 -0.054 0.000 0.901 225 G HN 0.294 nan 8.290 nan 0.000 0.548 226 E N -0.893 119.284 120.200 -0.040 0.000 2.418 226 E HA 0.073 4.423 4.350 -0.000 0.000 0.261 226 E C 0.106 176.678 176.600 -0.045 0.000 1.070 226 E CA -0.024 56.358 56.400 -0.030 0.000 0.931 226 E CB 0.306 29.996 29.700 -0.017 0.000 0.954 226 E HN 0.298 nan 8.360 nan 0.000 0.439 227 T N 5.818 120.353 114.554 -0.031 0.000 2.853 227 T HA 0.123 4.473 4.350 -0.000 0.000 0.298 227 T C -2.211 172.448 174.700 -0.069 0.000 0.978 227 T CA -1.073 60.998 62.100 -0.049 0.000 1.152 227 T CB 0.461 69.335 68.868 0.009 0.000 0.914 227 T HN 0.375 nan 8.240 nan 0.000 0.539 228 P HA 0.052 nan 4.420 nan 0.000 0.265 228 P C 0.907 178.145 177.300 -0.103 0.000 1.187 228 P CA -0.105 62.942 63.100 -0.088 0.000 0.766 228 P CB 0.469 32.112 31.700 -0.094 0.000 0.820 229 S N 2.095 117.749 115.700 -0.076 0.000 2.423 229 S HA -0.186 4.284 4.470 -0.000 0.000 0.231 229 S C 1.523 176.070 174.600 -0.088 0.000 1.014 229 S CA 1.012 59.170 58.200 -0.070 0.000 0.965 229 S CB -0.945 62.229 63.200 -0.043 0.000 0.785 229 S HN 0.611 nan 8.310 nan 0.000 0.495 230 N N 2.236 120.881 118.700 -0.092 0.000 2.166 230 N HA -0.114 4.626 4.740 -0.000 0.000 0.186 230 N C 1.605 177.030 175.510 -0.141 0.000 1.019 230 N CA 1.210 54.205 53.050 -0.091 0.000 0.856 230 N CB -0.719 37.720 38.487 -0.080 0.000 0.993 230 N HN 0.364 nan 8.380 nan 0.000 0.426 231 L N 0.992 122.077 121.223 -0.229 0.000 2.027 231 L HA -0.078 4.262 4.340 -0.000 0.000 0.206 231 L C 2.902 179.337 176.870 -0.724 0.000 1.074 231 L CA 1.462 56.028 54.840 -0.457 0.000 0.745 231 L CB -1.280 40.484 42.059 -0.492 0.000 0.898 231 L HN 0.224 nan 8.230 nan 0.000 0.433 232 Q N -0.462 119.065 119.800 -0.455 0.000 2.079 232 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 232 Q C 2.226 178.174 176.000 -0.086 0.000 0.974 232 Q CA 1.866 57.510 55.803 -0.266 0.000 0.840 232 Q CB -0.320 28.374 28.738 -0.072 0.000 0.898 232 Q HN 0.438 nan 8.270 nan 0.000 0.430 233 A N -0.714 122.067 122.820 -0.065 0.000 1.933 233 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 233 A C 1.973 179.588 177.584 0.051 0.000 1.175 233 A CA 1.880 53.918 52.037 0.002 0.000 0.628 233 A CB -0.989 18.007 19.000 -0.006 0.000 0.814 233 A HN 0.652 nan 8.150 nan 0.000 0.444 234 H N -1.284 117.756 119.070 -0.049 0.000 2.321 234 H HA -0.104 4.452 4.556 -0.000 0.000 0.300 234 H C 1.665 177.127 175.328 0.223 0.000 1.087 234 H CA 2.020 58.100 56.048 0.054 0.000 1.319 234 H CB -0.288 29.491 29.762 0.029 0.000 1.379 234 H HN 0.397 nan 8.280 nan 0.000 0.501 235 F N 1.117 121.129 119.950 0.104 0.000 2.091 235 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 235 F C 2.342 178.142 175.800 0.001 0.000 1.103 235 F CA 1.441 59.477 58.000 0.060 0.000 1.228 235 F CB -0.964 38.103 39.000 0.111 0.000 0.984 235 F HN 0.301 nan 8.300 nan 0.000 0.477 236 D N -0.438 120.086 120.400 0.207 0.000 2.117 236 D HA -0.146 4.494 4.640 -0.000 0.000 0.198 236 D C 2.427 178.768 176.300 0.068 0.000 0.982 236 D CA 0.877 54.943 54.000 0.111 0.000 0.828 236 D CB -0.419 40.430 40.800 0.083 0.000 0.967 236 D HN 0.211 nan 8.370 nan 0.000 0.464 237 R N 0.390 120.915 120.500 0.042 0.000 2.083 237 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 237 R C 2.249 178.633 176.300 0.140 0.000 1.137 237 R CA 1.637 57.760 56.100 0.037 0.000 0.951 237 R CB -0.356 29.918 30.300 -0.043 0.000 0.851 237 R HN 0.169 nan 8.270 nan 0.000 0.434 238 C N 0.577 119.927 119.300 0.083 0.000 2.476 238 C HA 0.014 4.474 4.460 -0.000 0.000 0.278 238 C C 2.331 177.335 174.990 0.023 0.000 1.274 238 C CA 0.573 59.643 59.018 0.086 0.000 1.713 238 C CB -0.709 27.005 27.740 -0.044 0.000 2.039 238 C HN 0.578 nan 8.230 nan 0.000 0.484 239 E N 0.390 120.598 120.200 0.014 0.000 2.110 239 E HA -0.281 4.069 4.350 -0.000 0.000 0.193 239 E C 2.156 178.755 176.600 -0.002 0.000 0.988 239 E CA 0.952 57.341 56.400 -0.020 0.000 0.804 239 E CB -0.366 29.323 29.700 -0.018 0.000 0.745 239 E HN 0.680 nan 8.360 nan 0.000 0.458 240 Q N 0.487 120.307 119.800 0.033 0.000 2.181 240 Q HA -0.138 4.202 4.340 -0.000 0.000 0.205 240 Q C 1.638 177.663 176.000 0.040 0.000 0.980 240 Q CA 1.428 57.253 55.803 0.036 0.000 0.862 240 Q CB -0.013 28.754 28.738 0.049 0.000 0.905 240 Q HN 0.200 nan 8.270 nan 0.000 0.429 241 A N -0.269 122.588 122.820 0.062 0.000 2.307 241 A HA 0.460 4.779 4.320 -0.000 0.000 0.218 241 A C 0.766 178.333 177.584 -0.029 0.000 1.228 241 A CA 0.650 52.719 52.037 0.054 0.000 0.857 241 A CB -0.236 18.850 19.000 0.142 0.000 0.897 241 A HN 0.550 nan 8.150 nan 0.000 0.495 245 S N -0.995 114.504 115.700 -0.335 0.000 2.658 245 S HA 0.325 4.795 4.470 -0.000 0.000 0.277 245 S C 0.831 175.246 174.600 -0.309 0.000 1.078 245 S CA 0.294 58.455 58.200 -0.066 0.000 1.124 245 S CB 0.614 63.835 63.200 0.035 0.000 1.016 245 S HN 0.778 nan 8.310 nan 0.000 0.543 246 G N 1.746 110.312 108.800 -0.391 0.000 2.484 246 G HA2 0.310 4.270 3.960 -0.000 0.000 0.235 246 G HA3 0.310 4.270 3.960 -0.000 0.000 0.235 246 G C -0.449 174.275 174.900 -0.293 0.000 1.282 246 G CA -0.113 44.619 45.100 -0.614 0.000 0.857 246 G HN 0.287 nan 8.290 nan 0.000 0.571 247 F N 1.543 121.228 119.950 -0.442 0.000 2.538 247 F HA 0.355 4.882 4.527 -0.000 0.000 0.371 247 F C 0.439 176.230 175.800 -0.014 0.000 1.087 247 F CA 0.093 58.022 58.000 -0.119 0.000 1.250 247 F CB 0.547 39.585 39.000 0.063 0.000 1.110 247 F HN 0.560 nan 8.300 nan 0.000 0.570 248 H N 6.179 124.866 119.070 -0.639 0.000 2.924 248 H HA 0.490 5.046 4.556 -0.000 0.000 0.333 248 H C -1.941 172.939 175.328 -0.748 0.000 0.979 248 H CA -0.962 54.803 56.048 -0.472 0.000 1.326 248 H CB 1.288 30.890 29.762 -0.268 0.000 1.600 248 H HN 0.712 nan 8.280 nan 0.000 0.520 249 L N 5.042 125.782 121.223 -0.805 0.000 2.313 249 L HA 0.466 4.805 4.340 -0.000 0.000 0.283 249 L C -0.271 176.202 176.870 -0.662 0.000 1.013 249 L CA -0.346 54.124 54.840 -0.616 0.000 0.816 249 L CB 1.341 43.254 42.059 -0.244 0.000 1.236 249 L HN 0.778 nan 8.230 nan 0.000 0.419 250 S N 2.760 118.007 115.700 -0.756 0.000 2.573 250 S HA 0.234 4.704 4.470 -0.000 0.000 0.277 250 S C 1.349 175.734 174.600 -0.359 0.000 1.346 250 S CA -0.029 57.746 58.200 -0.708 0.000 1.034 250 S CB 0.945 63.311 63.200 -1.390 0.000 0.879 250 S HN 0.955 nan 8.310 nan 0.000 0.528 251 G N 1.464 110.139 108.800 -0.209 0.000 2.442 251 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 251 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 251 G C 0.952 175.822 174.900 -0.049 0.000 1.141 251 G CA 0.970 46.010 45.100 -0.099 0.000 0.763 251 G HN 0.949 nan 8.290 nan 0.000 0.554 252 D N -0.803 119.577 120.400 -0.033 0.000 2.340 252 D HA 0.212 4.852 4.640 -0.000 0.000 0.220 252 D C 1.733 178.130 176.300 0.161 0.000 1.039 252 D CA 0.744 54.778 54.000 0.057 0.000 0.866 252 D CB -0.495 40.361 40.800 0.093 0.000 0.913 252 D HN 0.535 nan 8.370 nan 0.000 0.523 253 G N 0.690 109.518 108.800 0.047 0.000 2.179 253 G HA2 -0.428 3.531 3.960 -0.000 0.000 0.260 253 G HA3 -0.428 3.531 3.960 -0.000 0.000 0.260 253 G C 0.896 175.825 174.900 0.048 0.000 0.977 253 G CA 0.548 45.721 45.100 0.121 0.000 0.641 253 G HN 0.498 nan 8.290 nan 0.000 0.533 254 Q N -0.589 119.150 119.800 -0.102 0.000 2.119 254 Q HA 0.230 4.569 4.340 -0.000 0.000 0.201 254 Q C 0.988 176.693 176.000 -0.490 0.000 0.972 254 Q CA 1.518 57.061 55.803 -0.433 0.000 0.847 254 Q CB -0.031 28.608 28.738 -0.166 0.000 0.903 254 Q HN 1.080 nan 8.270 nan 0.000 0.433 255 F N -1.844 117.840 119.950 -0.443 0.000 2.626 255 F HA 0.726 5.252 4.527 -0.000 0.000 0.311 255 F C -1.098 174.229 175.800 -0.788 0.000 1.088 255 F CA -1.405 56.217 58.000 -0.630 0.000 0.949 255 F CB 1.379 40.088 39.000 -0.486 0.000 1.322 255 F HN -0.324 nan 8.300 nan 0.000 0.461 256 R N 2.320 122.228 120.500 -0.987 0.000 2.535 256 R HA 0.666 5.006 4.340 -0.000 0.000 0.274 256 R C -2.191 173.718 176.300 -0.652 0.000 1.090 256 R CA -0.629 54.903 56.100 -0.947 0.000 0.930 256 R CB 2.130 31.625 30.300 -1.342 0.000 1.223 256 R HN 1.065 nan 8.270 nan 0.000 0.441 257 V N 0.279 119.859 119.914 -0.557 0.000 2.680 257 V HA 1.037 5.157 4.120 -0.000 0.000 0.309 257 V C -0.689 175.113 176.094 -0.486 0.000 1.052 257 V CA -0.658 61.313 62.300 -0.549 0.000 0.908 257 V CB 1.658 32.944 31.823 -0.894 0.000 1.001 257 V HN 0.968 nan 8.190 nan 0.000 0.431 258 A N 3.557 126.258 122.820 -0.197 0.000 2.565 258 A HA 0.793 5.113 4.320 -0.000 0.000 0.298 258 A C -0.696 177.015 177.584 0.213 0.000 1.062 258 A CA -0.788 51.264 52.037 0.026 0.000 0.723 258 A CB 1.780 20.922 19.000 0.237 0.000 1.282 258 A HN 1.079 nan 8.150 nan 0.000 0.400 262 L N 0.553 121.692 121.223 -0.140 0.000 2.472 262 L HA 0.472 4.812 4.340 -0.000 0.000 0.256 262 L C 1.125 177.963 176.870 -0.052 0.000 1.111 262 L CA -1.075 53.743 54.840 -0.036 0.000 0.800 262 L CB 0.353 42.422 42.059 0.017 0.000 1.286 262 L HN 0.325 nan 8.230 nan 0.000 0.479 263 K N 0.537 120.930 120.400 -0.012 0.000 2.336 263 K HA 0.103 4.423 4.320 -0.000 0.000 0.262 263 K C 0.119 176.714 176.600 -0.007 0.000 0.992 263 K CA 0.106 56.384 56.287 -0.015 0.000 0.927 263 K CB 0.189 32.696 32.500 0.013 0.000 0.956 263 K HN 0.642 nan 8.250 nan 0.000 0.495 264 E N 0.844 121.038 120.200 -0.010 0.000 2.868 264 E HA 0.052 4.402 4.350 -0.000 0.000 0.246 264 E C 1.072 177.680 176.600 0.012 0.000 0.962 264 E CA 0.708 57.107 56.400 -0.003 0.000 0.955 264 E CB -1.070 28.628 29.700 -0.003 0.000 0.903 264 E HN 0.776 nan 8.360 nan 0.000 0.524 265 G N 0.948 109.757 108.800 0.016 0.000 2.317 265 G HA2 0.097 4.057 3.960 -0.000 0.000 0.227 265 G HA3 0.097 4.057 3.960 -0.000 0.000 0.227 265 G C 0.926 175.849 174.900 0.038 0.000 1.042 265 G CA 0.476 45.593 45.100 0.028 0.000 0.623 265 G HN 2.113 nan 8.290 nan 0.000 0.509 266 A N 0.417 123.257 122.820 0.035 0.000 2.440 266 A HA 0.668 4.988 4.320 -0.000 0.000 0.251 266 A C 0.955 178.553 177.584 0.024 0.000 1.089 266 A CA 1.179 53.240 52.037 0.039 0.000 0.779 266 A CB 0.291 19.322 19.000 0.051 0.000 1.022 266 A HN 0.539 nan 8.150 nan 0.000 0.492 267 E N 0.746 120.957 120.200 0.018 0.000 2.290 267 E HA 0.175 4.524 4.350 -0.000 0.000 0.199 267 E C 0.312 176.857 176.600 -0.093 0.000 0.912 267 E CA 0.558 56.949 56.400 -0.014 0.000 0.924 267 E CB 0.510 30.216 29.700 0.010 0.000 0.901 267 E HN 0.519 nan 8.360 nan 0.000 0.487 268 S N -0.996 114.662 115.700 -0.070 0.000 2.625 268 S HA 0.337 4.807 4.470 -0.000 0.000 0.271 268 S C -1.807 172.795 174.600 0.003 0.000 1.161 268 S CA -0.721 57.414 58.200 -0.110 0.000 0.820 268 S CB 0.522 63.744 63.200 0.038 0.000 1.137 268 S HN 0.080 nan 8.310 nan 0.000 0.470 269 Y N 2.757 123.184 120.300 0.213 0.000 2.568 269 Y HA 0.347 4.897 4.550 -0.000 0.000 0.338 269 Y C 1.246 177.289 175.900 0.238 0.000 1.245 269 Y CA -0.242 57.993 58.100 0.227 0.000 1.667 269 Y CB -0.601 38.057 38.460 0.330 0.000 1.568 269 Y HN 0.626 nan 8.280 nan 0.000 0.471 273 G N 0.749 109.604 108.800 0.092 0.000 2.205 273 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.261 273 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.261 273 G C 0.198 175.149 174.900 0.085 0.000 0.980 273 G CA 0.686 45.840 45.100 0.091 0.000 0.632 273 G HN 0.568 nan 8.290 nan 0.000 0.533 274 K N 1.411 121.867 120.400 0.094 0.000 2.098 274 K HA 0.498 4.817 4.320 -0.000 0.000 0.257 274 K C 1.065 177.735 176.600 0.117 0.000 0.999 274 K CA 0.108 56.456 56.287 0.102 0.000 0.924 274 K CB 0.564 33.128 32.500 0.107 0.000 1.028 274 K HN 0.362 nan 8.250 nan 0.000 0.466 275 T N -1.195 113.432 114.554 0.122 0.000 2.933 275 T HA 0.007 4.357 4.350 -0.000 0.000 0.306 275 T C 1.126 175.938 174.700 0.186 0.000 1.045 275 T CA -0.086 62.095 62.100 0.134 0.000 1.143 275 T CB 0.963 69.927 68.868 0.159 0.000 1.003 275 T HN 0.629 nan 8.240 nan 0.000 0.540 276 A N 3.264 126.213 122.820 0.215 0.000 1.970 276 A HA 0.386 4.706 4.320 -0.000 0.000 0.216 276 A C 0.974 178.676 177.584 0.197 0.000 1.170 276 A CA 0.340 52.479 52.037 0.170 0.000 0.645 276 A CB 0.039 19.076 19.000 0.063 0.000 0.816 276 A HN 0.786 nan 8.150 nan 0.000 0.447 277 V N -0.483 119.575 119.914 0.241 0.000 2.448 277 V HA 0.343 4.463 4.120 -0.000 0.000 0.295 277 V C 1.079 177.405 176.094 0.386 0.000 1.025 277 V CA -0.661 61.808 62.300 0.283 0.000 0.859 277 V CB 1.418 33.363 31.823 0.205 0.000 0.988 277 V HN 0.518 nan 8.190 nan 0.000 0.431 278 R N 1.958 122.643 120.500 0.307 0.000 2.115 278 R HA 0.039 4.379 4.340 -0.000 0.000 0.226 278 R C 1.077 177.463 176.300 0.143 0.000 1.100 278 R CA 0.675 56.917 56.100 0.237 0.000 0.980 278 R CB 0.219 30.602 30.300 0.138 0.000 0.875 278 R HN 0.585 nan 8.270 nan 0.000 0.445 279 R N 0.780 121.384 120.500 0.173 0.000 2.215 279 R HA 0.073 4.413 4.340 -0.000 0.000 0.337 279 R C -1.467 174.986 176.300 0.255 0.000 1.010 279 R CA -0.486 55.654 56.100 0.067 0.000 0.871 279 R CB 0.161 30.474 30.300 0.021 0.000 1.134 279 R HN -0.012 nan 8.270 nan 0.000 0.477 280 W N 4.652 125.964 121.300 0.019 0.000 2.202 280 W HA 0.205 4.865 4.660 -0.000 0.000 0.332 280 W C -0.083 176.499 176.519 0.106 0.000 1.263 280 W CA -1.154 56.232 57.345 0.070 0.000 1.223 280 W CB 0.142 29.631 29.460 0.050 0.000 1.128 280 W HN 0.356 nan 8.180 nan 0.000 0.573 281 L N 3.793 125.250 121.223 0.389 0.000 2.312 281 L HA 0.555 4.895 4.340 -0.000 0.000 0.287 281 L C 0.606 177.634 176.870 0.263 0.000 1.091 281 L CA 0.827 55.868 54.840 0.334 0.000 0.846 281 L CB -0.602 41.627 42.059 0.284 0.000 1.219 281 L HN 0.680 nan 8.230 nan 0.000 0.439 282 G N 4.687 113.619 108.800 0.220 0.000 2.526 282 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.250 282 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.250 282 G C 0.035 174.973 174.900 0.064 0.000 1.289 282 G CA -0.126 45.022 45.100 0.081 0.000 0.947 282 G HN 0.981 nan 8.290 nan 0.000 0.517 283 R N -0.152 120.322 120.500 -0.045 0.000 2.466 283 R HA 0.660 4.999 4.340 -0.000 0.000 0.279 283 R C 0.977 177.250 176.300 -0.044 0.000 0.976 283 R CA 0.829 56.911 56.100 -0.030 0.000 1.081 283 R CB 0.105 30.363 30.300 -0.069 0.000 1.215 283 R HN 1.713 nan 8.270 nan 0.000 0.546 284 A N 1.011 123.808 122.820 -0.038 0.000 2.584 284 A HA 0.257 4.577 4.320 -0.000 0.000 0.239 284 A C 1.321 178.901 177.584 -0.007 0.000 1.043 284 A CA 0.601 52.568 52.037 -0.117 0.000 0.756 284 A CB 0.242 19.140 19.000 -0.169 0.000 0.963 284 A HN 0.607 nan 8.150 nan 0.000 0.511 285 A N 2.775 125.413 122.820 -0.305 0.000 2.119 285 A HA 0.437 4.757 4.320 -0.000 0.000 0.216 285 A C 0.443 178.056 177.584 0.049 0.000 1.152 285 A CA 1.232 53.165 52.037 -0.173 0.000 0.708 285 A CB -0.366 18.501 19.000 -0.222 0.000 0.805 285 A HN 1.466 nan 8.150 nan 0.000 0.460 286 F N -6.132 113.981 119.950 0.271 0.000 2.686 286 F HA 0.688 5.215 4.527 -0.000 0.000 0.311 286 F C 0.736 176.645 175.800 0.181 0.000 1.128 286 F CA -0.966 57.209 58.000 0.292 0.000 0.946 286 F CB 0.844 39.940 39.000 0.160 0.000 1.336 286 F HN -0.106 nan 8.300 nan 0.000 0.457 287 A N -0.160 122.928 122.820 0.446 0.000 1.968 287 A HA -0.012 4.307 4.320 -0.000 0.000 0.217 287 A C 0.859 178.467 177.584 0.041 0.000 1.169 287 A CA 1.437 53.479 52.037 0.008 0.000 0.638 287 A CB -0.906 18.238 19.000 0.239 0.000 0.812 287 A HN 0.732 nan 8.150 nan 0.000 0.446 288 D N -0.132 120.433 120.400 0.275 0.000 3.110 288 D HA 0.427 5.067 4.640 -0.000 0.000 0.254 288 D C 0.631 177.193 176.300 0.436 0.000 1.283 288 D CA 0.372 54.514 54.000 0.238 0.000 0.944 288 D CB 0.185 41.079 40.800 0.157 0.000 1.066 288 D HN 0.187 nan 8.370 nan 0.000 0.496 289 A N 0.434 123.453 122.820 0.331 0.000 2.238 289 A HA 0.486 4.805 4.320 -0.000 0.000 0.208 289 A C 1.463 179.314 177.584 0.446 0.000 1.177 289 A CA 0.369 52.621 52.037 0.360 0.000 0.804 289 A CB -0.680 18.325 19.000 0.009 0.000 0.823 289 A HN 0.736 nan 8.150 nan 0.000 0.482 290 G N -0.760 108.202 108.800 0.271 0.000 2.601 290 G HA2 -0.086 3.873 3.960 -0.000 0.000 0.252 290 G HA3 -0.086 3.873 3.960 -0.000 0.000 0.252 290 G C 0.094 175.084 174.900 0.151 0.000 1.294 290 G CA 0.081 45.262 45.100 0.136 0.000 0.912 290 G HN 1.440 nan 8.290 nan 0.000 0.574 291 S N -1.116 114.715 115.700 0.219 0.000 2.519 291 S HA 0.547 5.017 4.470 -0.000 0.000 0.309 291 S C -0.250 174.540 174.600 0.316 0.000 1.100 291 S CA -0.289 58.073 58.200 0.269 0.000 1.059 291 S CB 1.246 64.718 63.200 0.453 0.000 1.008 291 S HN 1.652 nan 8.310 nan 0.000 0.478 292 L N 7.012 128.412 121.223 0.295 0.000 2.456 292 L HA 0.414 4.754 4.340 -0.000 0.000 0.277 292 L C -0.931 176.086 176.870 0.244 0.000 1.124 292 L CA 0.389 55.403 54.840 0.290 0.000 0.880 292 L CB -0.301 41.933 42.059 0.292 0.000 1.192 292 L HN 0.628 nan 8.230 nan 0.000 0.463 293 L N 6.166 127.485 121.223 0.159 0.000 2.292 293 L HA 0.476 4.816 4.340 -0.000 0.000 0.284 293 L C 0.120 176.999 176.870 0.015 0.000 1.065 293 L CA -0.381 54.478 54.840 0.032 0.000 0.806 293 L CB 0.787 42.899 42.059 0.089 0.000 1.175 293 L HN 0.620 nan 8.230 nan 0.000 0.431 294 K N 4.367 124.788 120.400 0.035 0.000 2.507 294 K HA 0.479 4.799 4.320 -0.000 0.000 0.251 294 K C -1.501 175.178 176.600 0.131 0.000 0.943 294 K CA -0.558 55.744 56.287 0.024 0.000 0.794 294 K CB 1.730 34.325 32.500 0.158 0.000 1.188 294 K HN 0.396 nan 8.250 nan 0.000 0.428 295 F N 1.467 121.448 119.950 0.051 0.000 2.538 295 F HA 0.581 5.108 4.527 -0.000 0.000 0.325 295 F C -1.039 174.731 175.800 -0.051 0.000 1.066 295 F CA -0.865 57.174 58.000 0.064 0.000 0.946 295 F CB 1.463 40.473 39.000 0.017 0.000 1.199 295 F HN 0.505 nan 8.300 nan 0.000 0.473 296 H N 3.010 122.193 119.070 0.189 0.000 3.240 296 H HA 0.276 4.832 4.556 -0.000 0.000 0.326 296 H C -1.850 173.461 175.328 -0.029 0.000 1.015 296 H CA -0.567 55.434 56.048 -0.079 0.000 1.504 296 H CB 0.727 30.365 29.762 -0.206 0.000 1.754 296 H HN 0.684 nan 8.280 nan 0.000 0.505 297 Y N 5.586 125.582 120.300 -0.506 0.000 2.346 297 Y HA 0.166 4.716 4.550 -0.000 0.000 0.330 297 Y C -1.449 174.176 175.900 -0.459 0.000 1.178 297 Y CA -2.247 55.378 58.100 -0.792 0.000 1.331 297 Y CB 0.506 37.861 38.460 -1.842 0.000 1.253 297 Y HN 0.485 nan 8.280 nan 0.000 0.529 298 P HA 0.071 nan 4.420 nan 0.000 0.268 298 P C 0.625 178.386 177.300 0.768 0.000 1.329 298 P CA 0.468 63.698 63.100 0.215 0.000 0.899 298 P CB 0.327 31.870 31.700 -0.262 0.000 1.378 299 T N -5.434 109.570 114.554 0.750 0.000 2.969 299 T HA 0.162 4.512 4.350 -0.000 0.000 0.250 299 T C 0.525 175.636 174.700 0.686 0.000 1.021 299 T CA 0.234 62.786 62.100 0.754 0.000 1.003 299 T CB -0.105 69.109 68.868 0.576 0.000 1.040 299 T HN -0.003 nan 8.240 nan 0.000 0.492 300 T N 1.436 116.462 114.554 0.787 0.000 2.971 300 T HA 0.579 4.929 4.350 -0.000 0.000 0.304 300 T C -2.145 172.899 174.700 0.574 0.000 1.038 300 T CA -0.976 61.388 62.100 0.441 0.000 1.007 300 T CB 1.098 70.094 68.868 0.213 0.000 1.055 300 T HN 0.538 nan 8.240 nan 0.000 0.451 301 W N 4.028 125.435 121.300 0.178 0.000 2.820 301 W HA 0.852 5.512 4.660 0.000 0.000 0.350 301 W C -0.967 175.494 176.519 -0.097 0.000 1.116 301 W CA -0.823 56.552 57.345 0.050 0.000 1.146 301 W CB 1.060 30.470 29.460 -0.084 0.000 1.433 301 W HN 0.561 nan 8.180 nan 0.000 0.561 302 N N 0.657 119.372 118.700 0.025 0.000 2.598 302 N HA 0.203 4.943 4.740 -0.000 0.000 0.263 302 N C -2.003 173.261 175.510 -0.411 0.000 1.254 302 N CA -0.840 52.070 53.050 -0.234 0.000 0.863 302 N CB 2.065 40.291 38.487 -0.436 0.000 1.586 302 N HN 0.599 nan 8.380 nan 0.000 0.491 303 H N 1.038 119.859 119.070 -0.415 0.000 2.823 303 H HA 0.339 4.895 4.556 -0.000 0.000 0.332 303 H C -1.049 173.977 175.328 -0.502 0.000 0.980 303 H CA -0.246 55.672 56.048 -0.217 0.000 1.286 303 H CB 1.128 30.955 29.762 0.109 0.000 1.541 303 H HN 0.384 nan 8.280 nan 0.000 0.521 304 F N 3.940 123.828 119.950 -0.104 0.000 2.388 304 F HA 0.337 4.864 4.527 -0.000 0.000 0.358 304 F C 0.264 175.926 175.800 -0.231 0.000 1.122 304 F CA -0.558 57.201 58.000 -0.403 0.000 1.056 304 F CB 0.907 39.285 39.000 -1.037 0.000 1.155 304 F HN 0.190 nan 8.300 nan 0.000 0.461 305 L N 1.316 122.511 121.223 -0.047 0.000 2.347 305 L HA 0.430 4.770 4.340 -0.000 0.000 0.268 305 L C 1.540 178.418 176.870 0.014 0.000 1.019 305 L CA -0.597 54.204 54.840 -0.064 0.000 0.806 305 L CB 1.344 43.211 42.059 -0.319 0.000 1.339 305 L HN 0.652 nan 8.230 nan 0.000 0.463 306 S N -0.619 114.975 115.700 -0.177 0.000 2.370 306 S HA -0.203 4.267 4.470 -0.000 0.000 0.226 306 S C 1.123 175.430 174.600 -0.487 0.000 1.033 306 S CA 1.492 59.450 58.200 -0.403 0.000 1.011 306 S CB -0.430 62.300 63.200 -0.783 0.000 0.852 306 S HN 0.876 nan 8.310 nan 0.000 0.457 307 D N 1.269 121.387 120.400 -0.470 0.000 2.394 307 D HA -0.011 4.629 4.640 -0.000 0.000 0.226 307 D C 0.937 177.305 176.300 0.113 0.000 0.990 307 D CA 0.608 54.428 54.000 -0.300 0.000 0.902 307 D CB -0.418 40.232 40.800 -0.250 0.000 1.038 307 D HN 0.752 nan 8.370 nan 0.000 0.499 308 H N -1.290 117.791 119.070 0.018 0.000 2.966 308 H HA 0.674 5.230 4.556 -0.000 0.000 0.330 308 H C -1.465 173.902 175.328 0.066 0.000 1.292 308 H CA -0.757 55.333 56.048 0.071 0.000 1.127 308 H CB 1.508 31.307 29.762 0.062 0.000 1.863 308 H HN -0.144 nan 8.280 nan 0.000 0.543 309 S N 0.146 115.894 115.700 0.080 0.000 2.570 309 S HA 0.615 5.085 4.470 -0.000 0.000 0.286 309 S C -0.520 173.979 174.600 -0.168 0.000 1.099 309 S CA -0.715 57.414 58.200 -0.117 0.000 0.913 309 S CB 1.465 64.660 63.200 -0.008 0.000 1.085 309 S HN 0.479 nan 8.310 nan 0.000 0.480 310 I N 1.995 122.310 120.570 -0.424 0.000 2.478 310 I HA 0.487 4.657 4.170 -0.000 0.000 0.287 310 I C -0.713 174.987 176.117 -0.695 0.000 1.042 310 I CA -0.993 59.916 61.300 -0.650 0.000 1.067 310 I CB 1.837 39.331 38.000 -0.842 0.000 1.233 310 I HN 0.419 nan 8.210 nan 0.000 0.431 311 V N 2.612 122.102 119.914 -0.705 0.000 2.495 311 V HA 0.672 4.792 4.120 -0.000 0.000 0.298 311 V C -1.013 174.723 176.094 -0.596 0.000 1.031 311 V CA -0.491 61.497 62.300 -0.520 0.000 0.871 311 V CB 1.446 33.073 31.823 -0.327 0.000 0.988 311 V HN 0.448 nan 8.190 nan 0.000 0.432 312 F N 3.203 122.786 119.950 -0.611 0.000 2.532 312 F HA 0.816 5.342 4.527 -0.000 0.000 0.321 312 F C 0.259 175.774 175.800 -0.475 0.000 1.089 312 F CA -0.775 56.765 58.000 -0.767 0.000 0.926 312 F CB 2.201 40.225 39.000 -1.627 0.000 1.168 312 F HN 0.636 nan 8.300 nan 0.000 0.459 313 R N 1.824 122.217 120.500 -0.179 0.000 2.538 313 R HA 0.724 5.064 4.340 -0.000 0.000 0.292 313 R C -2.242 174.032 176.300 -0.043 0.000 1.008 313 R CA -0.551 55.555 56.100 0.009 0.000 0.896 313 R CB 1.873 32.176 30.300 0.006 0.000 1.187 313 R HN 0.570 nan 8.270 nan 0.000 0.440 314 V N 3.707 123.665 119.914 0.073 0.000 2.370 314 V HA 0.417 4.537 4.120 -0.000 0.000 0.283 314 V C -0.358 175.894 176.094 0.262 0.000 1.023 314 V CA -0.385 61.998 62.300 0.138 0.000 0.857 314 V CB 1.696 33.629 31.823 0.182 0.000 0.985 314 V HN 0.788 nan 8.190 nan 0.000 0.443 315 T N 7.624 122.266 114.554 0.148 0.000 2.847 315 T HA 0.419 4.769 4.350 -0.000 0.000 0.291 315 T C -2.760 171.912 174.700 -0.046 0.000 0.998 315 T CA -1.204 60.922 62.100 0.044 0.000 0.967 315 T CB 1.996 70.913 68.868 0.082 0.000 0.954 315 T HN 0.431 nan 8.240 nan 0.000 0.441 316 P HA 0.357 nan 4.420 nan 0.000 0.271 316 P C 0.048 177.388 177.300 0.066 0.000 1.216 316 P CA -0.240 62.815 63.100 -0.075 0.000 0.776 316 P CB 1.313 32.785 31.700 -0.380 0.000 0.881 317 I N 0.322 120.974 120.570 0.137 0.000 3.673 317 I HA 0.044 4.214 4.170 -0.000 0.000 0.281 317 I C 1.143 177.245 176.117 -0.026 0.000 1.182 317 I CA 0.589 61.935 61.300 0.077 0.000 1.391 317 I CB 0.415 38.423 38.000 0.013 0.000 1.383 317 I HN 0.459 nan 8.210 nan 0.000 0.456 318 S N -0.636 114.863 115.700 -0.335 0.000 2.656 318 S HA 0.424 4.894 4.470 -0.000 0.000 0.273 318 S C -2.470 171.442 174.600 -1.147 0.000 1.168 318 S CA -1.000 56.652 58.200 -0.913 0.000 0.817 318 S CB 1.291 64.249 63.200 -0.404 0.000 1.146 318 S HN -0.262 nan 8.310 nan 0.000 0.475 319 P HA -0.012 nan 4.420 nan 0.000 0.218 319 P C 0.959 178.188 177.300 -0.118 0.000 1.146 319 P CA 1.884 64.739 63.100 -0.407 0.000 0.813 319 P CB -0.199 31.390 31.700 -0.184 0.000 0.778 320 T N -5.062 109.400 114.554 -0.153 0.000 3.252 320 T HA 0.333 4.683 4.350 -0.000 0.000 0.286 320 T C -0.008 174.652 174.700 -0.066 0.000 1.013 320 T CA -0.427 61.629 62.100 -0.072 0.000 0.914 320 T CB -0.237 68.586 68.868 -0.076 0.000 1.131 320 T HN -0.018 nan 8.240 nan 0.000 0.529 321 E N 0.679 120.839 120.200 -0.066 0.000 2.290 321 E HA 0.562 4.912 4.350 -0.000 0.000 0.274 321 E C -1.379 175.242 176.600 0.035 0.000 0.889 321 E CA -0.844 55.538 56.400 -0.029 0.000 0.760 321 E CB 2.341 32.006 29.700 -0.059 0.000 1.206 321 E HN 0.165 nan 8.360 nan 0.000 0.419 322 T N 1.457 116.049 114.554 0.062 0.000 2.991 322 T HA 0.174 4.524 4.350 -0.000 0.000 0.303 322 T C -1.043 173.702 174.700 0.075 0.000 1.015 322 T CA -0.770 61.394 62.100 0.107 0.000 1.007 322 T CB 1.633 70.606 68.868 0.176 0.000 1.034 322 T HN 0.465 nan 8.240 nan 0.000 0.446 323 E N 2.675 122.916 120.200 0.068 0.000 2.259 323 E HA 0.477 4.827 4.350 -0.000 0.000 0.281 323 E C -1.093 175.539 176.600 0.054 0.000 1.027 323 E CA -0.568 55.865 56.400 0.054 0.000 0.838 323 E CB 0.765 30.494 29.700 0.049 0.000 1.066 323 E HN 0.326 nan 8.360 nan 0.000 0.401 324 V N 4.423 124.363 119.914 0.043 0.000 2.378 324 V HA 0.260 4.380 4.120 -0.000 0.000 0.288 324 V C -0.251 175.832 176.094 -0.018 0.000 1.016 324 V CA -0.684 61.622 62.300 0.011 0.000 0.840 324 V CB 1.729 33.592 31.823 0.066 0.000 0.994 324 V HN 0.717 nan 8.190 nan 0.000 0.431 325 T N 3.609 118.116 114.554 -0.078 0.000 2.770 325 T HA 0.494 4.844 4.350 -0.000 0.000 0.283 325 T C 0.008 174.557 174.700 -0.251 0.000 0.988 325 T CA -0.274 61.756 62.100 -0.116 0.000 0.957 325 T CB 1.222 70.026 68.868 -0.107 0.000 0.930 325 T HN 0.676 nan 8.240 nan 0.000 0.443 326 T N 4.556 118.922 114.554 -0.313 0.000 2.807 326 T HA 0.514 4.864 4.350 -0.000 0.000 0.279 326 T C -0.367 174.024 174.700 -0.515 0.000 0.993 326 T CA -0.872 60.797 62.100 -0.718 0.000 0.970 326 T CB 1.167 69.494 68.868 -0.902 0.000 0.950 326 T HN 0.361 nan 8.240 nan 0.000 0.441 327 K N 1.894 121.914 120.400 -0.632 0.000 2.426 327 K HA 0.330 4.650 4.320 -0.000 0.000 0.254 327 K C -0.976 175.438 176.600 -0.311 0.000 0.936 327 K CA -0.721 55.415 56.287 -0.251 0.000 0.801 327 K CB 2.034 34.447 32.500 -0.144 0.000 1.139 327 K HN 0.531 nan 8.250 nan 0.000 0.424 328 W N 5.554 126.770 121.300 -0.140 0.000 2.331 328 W HA 0.316 4.975 4.660 -0.000 0.000 0.306 328 W C -0.406 176.081 176.519 -0.054 0.000 1.162 328 W CA -0.672 56.626 57.345 -0.078 0.000 1.232 328 W CB 0.717 30.153 29.460 -0.041 0.000 1.235 328 W HN 0.263 nan 8.180 nan 0.000 0.479 329 L N 5.098 126.403 121.223 0.138 0.000 2.296 329 L HA 0.567 4.907 4.340 -0.000 0.000 0.286 329 L C 0.330 177.270 176.870 0.117 0.000 1.023 329 L CA -0.951 53.948 54.840 0.099 0.000 0.812 329 L CB 1.141 43.247 42.059 0.078 0.000 1.223 329 L HN 0.130 nan 8.230 nan 0.000 0.421 330 V N -1.407 118.542 119.914 0.057 0.000 3.126 330 V HA 0.475 4.595 4.120 -0.000 0.000 0.314 330 V C -0.110 176.047 176.094 0.105 0.000 1.138 330 V CA -0.946 61.385 62.300 0.053 0.000 1.034 330 V CB 1.780 33.496 31.823 -0.178 0.000 1.075 330 V HN 0.738 nan 8.190 nan 0.000 0.442 331 H N 2.074 121.198 119.070 0.089 0.000 3.001 331 H HA 0.097 4.653 4.556 -0.000 0.000 0.334 331 H C 1.313 176.697 175.328 0.093 0.000 1.034 331 H CA 1.197 57.306 56.048 0.102 0.000 1.420 331 H CB 1.457 31.292 29.762 0.122 0.000 1.405 331 H HN 0.950 nan 8.280 nan 0.000 0.593 332 K N 3.212 123.432 120.400 -0.300 0.000 2.211 332 K HA -0.134 4.186 4.320 -0.000 0.000 0.204 332 K C 0.219 176.882 176.600 0.105 0.000 1.047 332 K CA 1.760 57.998 56.287 -0.082 0.000 0.935 332 K CB 0.285 32.694 32.500 -0.152 0.000 0.728 332 K HN 0.433 nan 8.250 nan 0.000 0.452 333 D N 1.075 121.670 120.400 0.324 0.000 2.349 333 D HA 0.124 4.764 4.640 -0.000 0.000 0.214 333 D C -0.041 176.418 176.300 0.265 0.000 1.063 333 D CA 0.179 54.358 54.000 0.297 0.000 0.847 333 D CB 0.499 41.483 40.800 0.307 0.000 0.933 333 D HN 0.361 nan 8.370 nan 0.000 0.513 334 A N 0.913 123.927 122.820 0.324 0.000 2.454 334 A HA 0.350 4.670 4.320 -0.000 0.000 0.260 334 A C 0.223 178.019 177.584 0.353 0.000 1.106 334 A CA -0.188 52.045 52.037 0.325 0.000 0.780 334 A CB 0.571 19.791 19.000 0.366 0.000 1.044 334 A HN -0.026 nan 8.150 nan 0.000 0.498 335 V N 3.770 123.809 119.914 0.207 0.000 2.394 335 V HA 0.194 4.314 4.120 -0.000 0.000 0.282 335 V C 0.555 176.499 176.094 -0.249 0.000 1.031 335 V CA -0.752 61.575 62.300 0.047 0.000 0.881 335 V CB 1.439 33.269 31.823 0.013 0.000 0.982 335 V HN 0.967 nan 8.190 nan 0.000 0.451 336 E N 2.966 122.889 120.200 -0.462 0.000 2.415 336 E HA 0.231 4.581 4.350 -0.000 0.000 0.263 336 E C 1.184 177.532 176.600 -0.419 0.000 0.995 336 E CA 1.253 57.137 56.400 -0.860 0.000 0.915 336 E CB 0.973 30.339 29.700 -0.556 0.000 0.951 336 E HN 1.043 nan 8.360 nan 0.000 0.449 337 G N 2.604 111.172 108.800 -0.387 0.000 2.194 337 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.236 337 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.236 337 G C 0.661 175.483 174.900 -0.129 0.000 0.987 337 G CA 0.258 45.242 45.100 -0.195 0.000 0.635 337 G HN 0.465 nan 8.290 nan 0.000 0.520 338 V N -0.275 119.559 119.914 -0.134 0.000 3.054 338 V HA 0.213 4.333 4.120 -0.000 0.000 0.227 338 V C 1.805 177.894 176.094 -0.009 0.000 1.252 338 V CA 1.519 63.787 62.300 -0.054 0.000 1.279 338 V CB 0.168 31.971 31.823 -0.033 0.000 1.118 338 V HN 0.176 nan 8.190 nan 0.000 0.504 339 D N -0.559 119.850 120.400 0.016 0.000 2.355 339 D HA 0.152 4.792 4.640 -0.000 0.000 0.206 339 D C 0.008 176.461 176.300 0.255 0.000 1.010 339 D CA 0.783 54.869 54.000 0.145 0.000 0.875 339 D CB 0.870 41.803 40.800 0.223 0.000 0.966 339 D HN 0.609 nan 8.370 nan 0.000 0.512 340 Y N -0.772 119.553 120.300 0.042 0.000 2.656 340 Y HA 0.512 5.062 4.550 -0.000 0.000 0.334 340 Y C -1.873 174.024 175.900 -0.004 0.000 1.179 340 Y CA -1.607 56.509 58.100 0.027 0.000 1.050 340 Y CB 0.936 39.411 38.460 0.025 0.000 1.308 340 Y HN -0.332 nan 8.280 nan 0.000 0.456 341 D N 1.416 121.861 120.400 0.075 0.000 2.375 341 D HA 0.310 4.950 4.640 -0.000 0.000 0.247 341 D C 0.261 176.582 176.300 0.035 0.000 1.061 341 D CA -0.672 53.307 54.000 -0.036 0.000 0.834 341 D CB 1.896 42.686 40.800 -0.016 0.000 1.247 341 D HN 0.677 nan 8.370 nan 0.000 0.489 342 L N 3.552 124.750 121.223 -0.040 0.000 2.042 342 L HA -0.123 4.216 4.340 -0.000 0.000 0.210 342 L C 2.101 178.867 176.870 -0.173 0.000 1.076 342 L CA 1.937 56.739 54.840 -0.064 0.000 0.749 342 L CB -0.776 41.209 42.059 -0.124 0.000 0.893 342 L HN 0.762 nan 8.230 nan 0.000 0.432 343 Q N -0.658 119.059 119.800 -0.138 0.000 2.050 343 Q HA -0.289 4.051 4.340 -0.000 0.000 0.202 343 Q C 2.469 178.412 176.000 -0.095 0.000 0.980 343 Q CA 1.915 57.635 55.803 -0.137 0.000 0.840 343 Q CB -0.192 28.492 28.738 -0.089 0.000 0.898 343 Q HN 0.494 nan 8.270 nan 0.000 0.424 344 R N -0.023 120.451 120.500 -0.042 0.000 2.091 344 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 344 R C 2.354 178.655 176.300 0.001 0.000 1.136 344 R CA 1.434 57.536 56.100 0.002 0.000 0.959 344 R CB -0.360 29.960 30.300 0.034 0.000 0.856 344 R HN 0.370 nan 8.270 nan 0.000 0.437 345 L N 0.210 121.404 121.223 -0.048 0.000 2.093 345 L HA -0.093 4.246 4.340 -0.000 0.000 0.208 345 L C 1.990 178.763 176.870 -0.162 0.000 1.085 345 L CA 2.472 57.232 54.840 -0.134 0.000 0.755 345 L CB -0.383 41.557 42.059 -0.197 0.000 0.904 345 L HN 0.455 nan 8.230 nan 0.000 0.435 346 T N -4.203 110.161 114.554 -0.317 0.000 2.990 346 T HA 0.022 4.372 4.350 -0.000 0.000 0.250 346 T C 1.533 176.180 174.700 -0.088 0.000 1.041 346 T CA 0.319 62.100 62.100 -0.531 0.000 1.010 346 T CB -0.350 67.838 68.868 -1.133 0.000 1.003 346 T HN 0.614 nan 8.240 nan 0.000 0.499 347 E N 1.635 121.809 120.200 -0.044 0.000 2.110 347 E HA -0.107 4.242 4.350 -0.000 0.000 0.193 347 E C 1.875 178.528 176.600 0.089 0.000 0.988 347 E CA 1.155 57.562 56.400 0.011 0.000 0.804 347 E CB -0.721 28.974 29.700 -0.008 0.000 0.745 347 E HN 0.376 nan 8.360 nan 0.000 0.458 348 V N 0.313 120.305 119.914 0.129 0.000 2.270 348 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 348 V C 1.912 178.003 176.094 -0.007 0.000 1.043 348 V CA 2.083 64.405 62.300 0.037 0.000 1.014 348 V CB -0.715 31.127 31.823 0.031 0.000 0.645 348 V HN 0.374 nan 8.190 nan 0.000 0.447 349 W N -0.498 120.953 121.300 0.250 0.000 2.518 349 W HA 0.090 4.750 4.660 -0.000 0.000 0.273 349 W C 2.256 178.971 176.519 0.326 0.000 1.247 349 W CA 0.508 58.011 57.345 0.262 0.000 1.288 349 W CB -0.175 29.455 29.460 0.283 0.000 1.107 349 W HN 0.154 nan 8.180 nan 0.000 0.586 350 I N -0.041 120.855 120.570 0.542 0.000 2.179 350 I HA -0.339 3.831 4.170 -0.000 0.000 0.242 350 I C 2.549 178.799 176.117 0.223 0.000 1.088 350 I CA 1.516 63.037 61.300 0.368 0.000 1.357 350 I CB -0.811 37.311 38.000 0.204 0.000 1.051 350 I HN -0.047 nan 8.210 nan 0.000 0.409 351 A N 0.264 123.165 122.820 0.134 0.000 1.873 351 A HA -0.177 4.143 4.320 -0.000 0.000 0.215 351 A C 2.372 179.991 177.584 0.058 0.000 1.186 351 A CA 2.294 54.376 52.037 0.074 0.000 0.616 351 A CB -1.075 17.944 19.000 0.031 0.000 0.823 351 A HN 0.373 nan 8.150 nan 0.000 0.442 352 T N 0.937 115.459 114.554 -0.053 0.000 2.720 352 T HA -0.151 4.198 4.350 -0.000 0.000 0.268 352 T C 1.832 176.549 174.700 0.028 0.000 1.037 352 T CA 1.529 63.492 62.100 -0.229 0.000 1.144 352 T CB -0.446 67.906 68.868 -0.861 0.000 0.864 352 T HN 0.475 nan 8.240 nan 0.000 0.444 353 N N 1.159 120.000 118.700 0.235 0.000 2.104 353 N HA -0.107 4.633 4.740 -0.000 0.000 0.190 353 N C 1.708 177.345 175.510 0.212 0.000 1.024 353 N CA 1.338 54.577 53.050 0.316 0.000 0.853 353 N CB -0.594 38.131 38.487 0.397 0.000 1.008 353 N HN 0.484 nan 8.380 nan 0.000 0.424 354 D N 0.500 121.005 120.400 0.175 0.000 2.144 354 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 354 D C 1.564 177.935 176.300 0.119 0.000 0.984 354 D CA 0.962 55.041 54.000 0.132 0.000 0.834 354 D CB 0.171 41.038 40.800 0.112 0.000 0.955 354 D HN 0.334 nan 8.370 nan 0.000 0.465 355 E N -0.062 120.224 120.200 0.142 0.000 2.077 355 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 355 E C 1.622 178.294 176.600 0.119 0.000 0.989 355 E CA 1.109 57.593 56.400 0.140 0.000 0.800 355 E CB 0.039 29.883 29.700 0.239 0.000 0.746 355 E HN 0.354 nan 8.360 nan 0.000 0.452 356 D N 0.250 120.766 120.400 0.193 0.000 2.117 356 D HA -0.161 4.478 4.640 -0.000 0.000 0.197 356 D C 1.949 178.263 176.300 0.024 0.000 0.987 356 D CA 0.869 54.919 54.000 0.084 0.000 0.829 356 D CB -0.201 40.676 40.800 0.128 0.000 0.961 356 D HN 0.064 nan 8.370 nan 0.000 0.460 357 R N 1.092 121.634 120.500 0.071 0.000 2.091 357 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 357 R C 2.074 178.390 176.300 0.026 0.000 1.136 357 R CA 1.519 57.647 56.100 0.047 0.000 0.959 357 R CB -0.090 30.250 30.300 0.067 0.000 0.856 357 R HN 0.128 nan 8.270 nan 0.000 0.437 358 E N 0.127 120.363 120.200 0.060 0.000 2.051 358 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 358 E C 1.981 178.670 176.600 0.148 0.000 0.991 358 E CA 2.025 58.499 56.400 0.124 0.000 0.799 358 E CB 0.025 29.810 29.700 0.141 0.000 0.748 358 E HN 0.386 nan 8.360 nan 0.000 0.449 359 V N -1.219 118.712 119.914 0.028 0.000 2.358 359 V HA -0.170 3.950 4.120 -0.000 0.000 0.246 359 V C 2.433 178.499 176.094 -0.046 0.000 1.047 359 V CA 1.401 63.684 62.300 -0.028 0.000 1.035 359 V CB -0.878 30.832 31.823 -0.188 0.000 0.658 359 V HN 0.053 nan 8.190 nan 0.000 0.452 360 V N 0.803 120.669 119.914 -0.079 0.000 2.343 360 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 360 V C 2.802 178.835 176.094 -0.103 0.000 1.051 360 V CA 2.539 64.781 62.300 -0.097 0.000 1.036 360 V CB -0.780 30.994 31.823 -0.082 0.000 0.654 360 V HN 0.624 nan 8.190 nan 0.000 0.451 361 E N -0.706 119.430 120.200 -0.107 0.000 2.072 361 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 361 E C 2.038 178.437 176.600 -0.335 0.000 0.985 361 E CA 1.328 57.590 56.400 -0.229 0.000 0.801 361 E CB -0.163 29.364 29.700 -0.288 0.000 0.750 361 E HN 0.610 nan 8.360 nan 0.000 0.452 362 F N 0.940 120.843 119.950 -0.078 0.000 2.456 362 F HA -0.049 4.478 4.527 -0.000 0.000 0.298 362 F C 2.138 177.880 175.800 -0.097 0.000 1.104 362 F CA 0.553 58.507 58.000 -0.076 0.000 1.435 362 F CB -0.180 38.780 39.000 -0.067 0.000 1.078 362 F HN -0.015 nan 8.300 nan 0.000 0.546 363 N N 0.394 119.097 118.700 0.005 0.000 2.080 363 N HA -0.148 4.592 4.740 -0.000 0.000 0.189 363 N C 1.147 176.554 175.510 -0.172 0.000 1.036 363 N CA 0.608 53.606 53.050 -0.087 0.000 0.846 363 N CB -0.274 38.135 38.487 -0.130 0.000 1.015 363 N HN 0.187 nan 8.380 nan 0.000 0.423 367 I N 2.192 122.629 120.570 -0.221 0.000 2.335 367 I HA -0.149 4.021 4.170 -0.000 0.000 0.251 367 I C 2.249 178.275 176.117 -0.153 0.000 1.129 367 I CA 0.984 62.006 61.300 -0.464 0.000 1.402 367 I CB -0.093 37.507 38.000 -0.667 0.000 1.069 367 I HN 0.086 nan 8.210 nan 0.000 0.424 368 N N 0.503 119.159 118.700 -0.074 0.000 2.348 368 N HA -0.116 4.624 4.740 -0.000 0.000 0.185 368 N C 1.046 176.581 175.510 0.042 0.000 1.019 368 N CA 0.569 53.616 53.050 -0.006 0.000 0.880 368 N CB -0.349 38.127 38.487 -0.018 0.000 0.965 368 N HN 0.190 nan 8.380 nan 0.000 0.437 369 S N 1.069 116.807 115.700 0.062 0.000 2.549 369 S HA 0.155 4.625 4.470 -0.000 0.000 0.279 369 S C -1.575 173.102 174.600 0.128 0.000 1.321 369 S CA -1.386 56.867 58.200 0.087 0.000 1.054 369 S CB 1.141 64.395 63.200 0.091 0.000 0.899 369 S HN -0.049 nan 8.310 nan 0.000 0.497 370 P HA 0.013 nan 4.420 nan 0.000 0.223 370 P C 0.820 178.177 177.300 0.095 0.000 1.144 370 P CA 0.911 64.069 63.100 0.096 0.000 0.783 370 P CB 0.004 31.742 31.700 0.063 0.000 0.771 371 A N -1.725 121.153 122.820 0.097 0.000 2.167 371 A HA -0.088 4.232 4.320 -0.000 0.000 0.214 371 A C 0.808 178.454 177.584 0.104 0.000 1.151 371 A CA -0.059 52.026 52.037 0.080 0.000 0.735 371 A CB -1.383 17.657 19.000 0.067 0.000 0.802 371 A HN 0.184 nan 8.150 nan 0.000 0.467 372 Y N 1.325 121.651 120.300 0.045 0.000 2.610 372 Y HA 0.344 4.893 4.550 -0.000 0.000 0.332 372 Y C 0.155 176.092 175.900 0.062 0.000 1.201 372 Y CA -0.028 58.105 58.100 0.055 0.000 1.465 372 Y CB 0.223 38.725 38.460 0.070 0.000 1.283 372 Y HN 0.373 nan 8.280 nan 0.000 0.563 373 E N 8.375 128.162 120.200 -0.688 0.000 2.263 373 E HA 0.388 4.738 4.350 -0.000 0.000 0.268 373 E C -2.884 173.271 176.600 -0.742 0.000 0.884 373 E CA -2.664 53.340 56.400 -0.661 0.000 0.766 373 E CB 1.483 31.031 29.700 -0.252 0.000 1.196 373 E HN 0.459 nan 8.360 nan 0.000 0.416 374 P HA 0.140 nan 4.420 nan 0.000 0.267 374 P C -0.071 177.213 177.300 -0.026 0.000 1.205 374 P CA -0.020 62.956 63.100 -0.206 0.000 0.765 374 P CB 1.077 32.792 31.700 0.026 0.000 0.828 375 G N 4.069 112.856 108.800 -0.022 0.000 2.543 375 G HA2 0.516 4.476 3.960 -0.000 0.000 0.290 375 G HA3 0.516 4.476 3.960 -0.000 0.000 0.290 375 G C -2.602 172.112 174.900 -0.309 0.000 1.310 375 G CA -1.434 43.632 45.100 -0.058 0.000 1.025 375 G HN 0.352 nan 8.290 nan 0.000 0.502 376 P HA 0.232 nan 4.420 nan 0.000 0.284 376 P C -1.208 175.906 177.300 -0.311 0.000 1.253 376 P CA -0.506 62.212 63.100 -0.637 0.000 0.800 376 P CB 0.705 32.096 31.700 -0.514 0.000 0.961 377 Y N 0.066 120.305 120.300 -0.102 0.000 2.411 377 Y HA 0.095 4.645 4.550 0.000 0.000 0.333 377 Y C 1.782 177.639 175.900 -0.071 0.000 1.186 377 Y CA 0.146 58.230 58.100 -0.026 0.000 1.381 377 Y CB 0.223 38.693 38.460 0.017 0.000 1.273 377 Y HN 0.286 nan 8.280 nan 0.000 0.546 378 S N 4.888 120.630 115.700 0.069 0.000 2.555 378 S HA 0.041 4.511 4.470 -0.000 0.000 0.293 378 S C -1.570 172.995 174.600 -0.060 0.000 1.248 378 S CA -1.143 56.995 58.200 -0.104 0.000 1.096 378 S CB 0.396 63.341 63.200 -0.424 0.000 0.881 378 S HN 0.447 nan 8.310 nan 0.000 0.498 379 P HA -0.055 nan 4.420 nan 0.000 0.216 379 P C 1.211 178.485 177.300 -0.044 0.000 1.150 379 P CA 1.284 64.371 63.100 -0.021 0.000 0.837 379 P CB 0.086 31.775 31.700 -0.017 0.000 0.786 380 T N -1.421 113.085 114.554 -0.079 0.000 3.010 380 T HA -0.010 4.340 4.350 -0.000 0.000 0.252 380 T C 1.635 176.272 174.700 -0.106 0.000 1.047 380 T CA 0.820 62.872 62.100 -0.079 0.000 1.140 380 T CB -0.316 68.507 68.868 -0.074 0.000 0.885 380 T HN 0.090 nan 8.240 nan 0.000 0.464 381 Q N 0.849 120.528 119.800 -0.201 0.000 2.398 381 Q HA 0.142 4.482 4.340 -0.000 0.000 0.204 381 Q C 0.693 176.604 176.000 -0.148 0.000 0.932 381 Q CA 0.762 56.417 55.803 -0.247 0.000 0.916 381 Q CB 0.352 28.709 28.738 -0.636 0.000 1.024 381 Q HN 0.600 nan 8.270 nan 0.000 0.504 382 E N -0.125 120.005 120.200 -0.116 0.000 2.968 382 E HA 0.063 4.413 4.350 -0.000 0.000 0.202 382 E C 0.992 177.556 176.600 -0.060 0.000 0.979 382 E CA 0.068 56.438 56.400 -0.049 0.000 1.192 382 E CB 0.692 30.402 29.700 0.018 0.000 1.059 382 E HN 0.173 nan 8.360 nan 0.000 0.470 383 S N -0.348 115.334 115.700 -0.029 0.000 2.400 383 S HA -0.165 4.305 4.470 -0.000 0.000 0.232 383 S C 2.008 176.617 174.600 0.015 0.000 1.025 383 S CA 1.326 59.525 58.200 -0.002 0.000 0.993 383 S CB -0.394 62.814 63.200 0.013 0.000 0.808 383 S HN 0.357 nan 8.310 nan 0.000 0.478 384 G N 1.071 109.889 108.800 0.030 0.000 2.421 384 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.217 384 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.217 384 G C 1.397 176.300 174.900 0.005 0.000 1.143 384 G CA 0.834 45.974 45.100 0.067 0.000 0.784 384 G HN 0.507 nan 8.290 nan 0.000 0.541 385 V N 0.895 120.746 119.914 -0.105 0.000 2.379 385 V HA -0.080 4.040 4.120 -0.000 0.000 0.245 385 V C 2.857 178.753 176.094 -0.329 0.000 1.044 385 V CA 1.193 63.342 62.300 -0.251 0.000 1.036 385 V CB -0.539 30.974 31.823 -0.517 0.000 0.664 385 V HN 0.302 nan 8.190 nan 0.000 0.453 386 L N -0.069 120.954 121.223 -0.334 0.000 2.012 386 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 386 L C 2.773 179.627 176.870 -0.026 0.000 1.073 386 L CA 1.867 56.624 54.840 -0.138 0.000 0.748 386 L CB -0.665 41.388 42.059 -0.010 0.000 0.891 386 L HN 0.355 nan 8.230 nan 0.000 0.431 387 Q N -0.163 119.649 119.800 0.020 0.000 2.084 387 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 387 Q C 2.271 178.325 176.000 0.090 0.000 0.978 387 Q CA 1.994 57.850 55.803 0.089 0.000 0.844 387 Q CB -0.315 28.516 28.738 0.155 0.000 0.898 387 Q HN 0.465 nan 8.270 nan 0.000 0.426 388 F N 0.670 120.555 119.950 -0.107 0.000 2.102 388 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 388 F C 2.101 177.810 175.800 -0.151 0.000 1.105 388 F CA 1.411 59.228 58.000 -0.305 0.000 1.239 388 F CB -0.477 38.228 39.000 -0.492 0.000 0.991 388 F HN -0.110 nan 8.300 nan 0.000 0.474 389 V N 0.477 120.210 119.914 -0.300 0.000 2.407 389 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 389 V C 2.380 178.301 176.094 -0.288 0.000 1.055 389 V CA 2.154 64.256 62.300 -0.329 0.000 1.049 389 V CB -0.757 31.029 31.823 -0.063 0.000 0.662 389 V HN 0.364 nan 8.190 nan 0.000 0.455 390 E N -0.491 119.615 120.200 -0.157 0.000 2.072 390 E HA -0.269 4.081 4.350 -0.000 0.000 0.191 390 E C 1.861 178.372 176.600 -0.148 0.000 0.985 390 E CA 1.792 58.120 56.400 -0.120 0.000 0.801 390 E CB -0.477 29.211 29.700 -0.021 0.000 0.750 390 E HN 0.657 nan 8.360 nan 0.000 0.452 391 W N 0.003 121.150 121.300 -0.254 0.000 2.335 391 W HA -0.291 4.368 4.660 -0.001 0.000 0.311 391 W C 2.096 178.434 176.519 -0.301 0.000 1.213 391 W CA 2.334 59.543 57.345 -0.227 0.000 1.274 391 W CB -0.942 28.434 29.460 -0.140 0.000 1.148 391 W HN 0.254 nan 8.180 nan 0.000 0.498 392 Y N 0.794 120.681 120.300 -0.688 0.000 2.070 392 Y HA -0.279 4.271 4.550 -0.000 0.000 0.280 392 Y C 2.279 177.787 175.900 -0.653 0.000 1.148 392 Y CA 2.703 60.301 58.100 -0.836 0.000 1.125 392 Y CB -1.035 36.944 38.460 -0.802 0.000 0.975 392 Y HN -0.007 nan 8.280 nan 0.000 0.492 393 L N -0.034 120.746 121.223 -0.739 0.000 2.046 393 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 393 L C 2.763 179.320 176.870 -0.520 0.000 1.077 393 L CA 1.706 56.137 54.840 -0.682 0.000 0.747 393 L CB -0.942 40.828 42.059 -0.482 0.000 0.896 393 L HN 0.404 nan 8.230 nan 0.000 0.432 394 S N -1.624 113.804 115.700 -0.452 0.000 2.383 394 S HA -0.169 4.300 4.470 -0.000 0.000 0.227 394 S C 1.935 176.284 174.600 -0.417 0.000 1.026 394 S CA 1.605 59.593 58.200 -0.352 0.000 0.981 394 S CB -0.769 62.279 63.200 -0.253 0.000 0.818 394 S HN 0.347 nan 8.310 nan 0.000 0.472 395 T N 2.597 116.758 114.554 -0.655 0.000 2.777 395 T HA 0.101 4.450 4.350 -0.000 0.000 0.266 395 T C 1.669 176.087 174.700 -0.470 0.000 1.040 395 T CA 1.162 62.877 62.100 -0.641 0.000 1.141 395 T CB -0.556 67.634 68.868 -1.131 0.000 0.868 395 T HN 0.215 nan 8.240 nan 0.000 0.444 396 L N 1.289 122.179 121.223 -0.556 0.000 2.042 396 L HA -0.003 4.336 4.340 -0.000 0.000 0.210 396 L C 2.331 179.046 176.870 -0.258 0.000 1.076 396 L CA 1.801 56.401 54.840 -0.400 0.000 0.749 396 L CB -0.506 41.216 42.059 -0.561 0.000 0.893 396 L HN 0.102 nan 8.230 nan 0.000 0.432 397 K N -1.084 119.159 120.400 -0.262 0.000 2.025 397 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 397 K C 2.376 178.896 176.600 -0.132 0.000 1.049 397 K CA 1.423 57.610 56.287 -0.167 0.000 0.933 397 K CB -0.090 32.316 32.500 -0.158 0.000 0.714 397 K HN 0.202 nan 8.250 nan 0.000 0.438 398 R N 0.605 121.013 120.500 -0.153 0.000 2.070 398 R HA -0.128 4.212 4.340 -0.000 0.000 0.233 398 R C 1.837 178.083 176.300 -0.089 0.000 1.137 398 R CA 2.026 58.059 56.100 -0.112 0.000 0.945 398 R CB -0.147 30.078 30.300 -0.123 0.000 0.845 398 R HN 0.189 nan 8.270 nan 0.000 0.430 399 N N -0.058 118.577 118.700 -0.109 0.000 2.244 399 N HA -0.084 4.655 4.740 -0.000 0.000 0.183 399 N C 1.706 177.185 175.510 -0.052 0.000 1.016 399 N CA 1.428 54.434 53.050 -0.072 0.000 0.866 399 N CB -0.205 38.233 38.487 -0.080 0.000 0.980 399 N HN 0.129 nan 8.380 nan 0.000 0.430 400 S N -0.354 115.308 115.700 -0.064 0.000 2.406 400 S HA 0.075 4.544 4.470 -0.000 0.000 0.228 400 S C 1.296 175.877 174.600 -0.033 0.000 1.020 400 S CA 0.679 58.854 58.200 -0.042 0.000 0.965 400 S CB -0.388 62.783 63.200 -0.047 0.000 0.798 400 S HN 0.476 nan 8.310 nan 0.000 0.488 401 G N 2.224 110.999 108.800 -0.042 0.000 2.553 401 G HA2 0.444 4.404 3.960 -0.000 0.000 0.278 401 G HA3 0.444 4.404 3.960 -0.000 0.000 0.278 401 G C -2.155 172.732 174.900 -0.022 0.000 1.349 401 G CA -0.708 44.373 45.100 -0.032 0.000 1.037 401 G HN 0.264 nan 8.290 nan 0.000 0.508 402 P HA 0.000 nan 4.420 nan 0.000 0.216 402 P CA 0.000 63.093 63.100 -0.011 0.000 0.800 402 P CB 0.000 31.695 31.700 -0.009 0.000 0.726