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 3aqm_1_A DATA FIRST_RESID 17 DATA SEQUENCE QVTVIPREQH AISRKDISEN ALKVMYRLNK AGYEAWLVGG GVRDLLLGKK DATA SEQUENCE PKDFDVTTNA TPEQVRKLFR NCRLVGRRFR LAHVMFGPEI IEVATFRGXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XNIFGSIEED AQRRDFTINS LYYSVADFTV DATA SEQUENCE RDYVGGMKDL KDGVIRLIGN PETRYREDPV RMLRAVRFAA KLGMRISPET DATA SEQUENCE AEPIPRLATL LNDIPPARLF EESLKLLQAG YGYETYKLLC EYHLFQPLFP DATA SEQUENCE TITRYFTENG DSPMERIIEQ VLKNTDTRIH NDMRVNPAFL FAAMFWYPLL DATA SEQUENCE ETAQKIAQES GLTYHDAFAL AMNDVLDEAC RSLAIPKRLT TLTRDIWQLQ DATA SEQUENCE LRMSRRQGKR AWKLLEHPKF RAAYDLLALR AEVERNAELQ RLVKWWGEFQ DATA SEQUENCE VSAPPDQKGM L 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 17 Q HA 0.000 nan 4.340 nan 0.000 0.214 17 Q C 0.000 176.016 176.000 0.027 0.000 1.003 17 Q CA 0.000 55.810 55.803 0.012 0.000 1.022 17 Q CB 0.000 28.746 28.738 0.013 0.000 1.108 18 V N 3.842 123.780 119.914 0.039 0.000 2.056 18 V HA 0.242 4.362 4.120 0.001 0.000 0.267 18 V C 0.856 176.995 176.094 0.074 0.000 1.535 18 V CA 1.218 63.549 62.300 0.051 0.000 1.475 18 V CB -0.127 31.725 31.823 0.048 0.000 1.441 18 V HN 0.707 nan 8.190 nan 0.000 0.500 19 T N 1.616 116.224 114.554 0.090 0.000 2.701 19 T HA -0.049 4.302 4.350 0.001 0.000 0.263 19 T C 0.925 175.706 174.700 0.135 0.000 1.040 19 T CA 1.351 63.545 62.100 0.157 0.000 1.147 19 T CB -0.050 68.928 68.868 0.184 0.000 0.865 19 T HN 0.436 nan 8.240 nan 0.000 0.426 20 V N 1.585 121.566 119.914 0.111 0.000 2.384 20 V HA 0.654 4.775 4.120 0.001 0.000 0.287 20 V C -0.887 175.266 176.094 0.098 0.000 1.020 20 V CA -1.424 60.937 62.300 0.102 0.000 0.850 20 V CB 1.147 33.038 31.823 0.113 0.000 0.987 20 V HN 0.566 nan 8.190 nan 0.000 0.436 21 I N 9.698 130.336 120.570 0.113 0.000 2.389 21 I HA 0.657 4.828 4.170 0.001 0.000 0.288 21 I C -2.410 173.819 176.117 0.187 0.000 0.999 21 I CA -2.450 58.929 61.300 0.133 0.000 1.129 21 I CB 2.583 40.667 38.000 0.139 0.000 1.288 21 I HN 0.485 nan 8.210 nan 0.000 0.444 22 P HA 0.175 nan 4.420 nan 0.000 0.277 22 P C 0.262 177.545 177.300 -0.028 0.000 1.240 22 P CA -0.305 62.847 63.100 0.088 0.000 0.798 22 P CB 0.973 32.695 31.700 0.037 0.000 0.979 23 R N 2.357 122.788 120.500 -0.115 0.000 2.189 23 R HA -0.265 4.076 4.340 0.001 0.000 0.252 23 R C 1.947 177.986 176.300 -0.435 0.000 1.134 23 R CA 2.487 58.323 56.100 -0.440 0.000 0.954 23 R CB -0.457 29.785 30.300 -0.098 0.000 0.890 23 R HN 0.632 nan 8.270 nan 0.000 0.443 24 E N 0.753 120.838 120.200 -0.192 0.000 2.153 24 E HA -0.258 4.093 4.350 0.001 0.000 0.194 24 E C 1.564 178.112 176.600 -0.087 0.000 0.988 24 E CA 1.831 58.159 56.400 -0.120 0.000 0.811 24 E CB -0.266 29.393 29.700 -0.067 0.000 0.746 24 E HN 0.797 nan 8.360 nan 0.000 0.466 25 Q N 0.856 120.617 119.800 -0.064 0.000 2.402 25 Q HA -0.005 4.336 4.340 0.001 0.000 0.206 25 Q C 0.811 176.853 176.000 0.071 0.000 0.919 25 Q CA 0.238 56.045 55.803 0.007 0.000 0.923 25 Q CB -0.551 28.205 28.738 0.031 0.000 1.048 25 Q HN 0.558 nan 8.270 nan 0.000 0.515 26 H N -0.136 118.979 119.070 0.076 0.000 2.668 26 H HA 0.576 5.133 4.556 0.001 0.000 0.303 26 H C -0.451 174.932 175.328 0.093 0.000 1.074 26 H CA -0.511 55.590 56.048 0.088 0.000 1.406 26 H CB 0.828 30.659 29.762 0.115 0.000 1.442 26 H HN 0.178 nan 8.280 nan 0.000 0.482 27 A N 6.033 129.009 122.820 0.262 0.000 2.453 27 A HA -0.153 4.168 4.320 0.001 0.000 0.293 27 A C 0.896 178.667 177.584 0.311 0.000 1.022 27 A CA 0.164 52.318 52.037 0.195 0.000 1.078 27 A CB -1.456 17.623 19.000 0.133 0.000 0.846 27 A HN 0.949 nan 8.150 nan 0.000 0.473 28 I N 3.487 124.188 120.570 0.219 0.000 3.574 28 I HA -0.149 4.022 4.170 0.001 0.000 0.322 28 I C 1.115 177.418 176.117 0.310 0.000 1.258 28 I CA 1.060 62.500 61.300 0.232 0.000 1.420 28 I CB 0.154 38.220 38.000 0.109 0.000 1.430 28 I HN 0.726 nan 8.210 nan 0.000 0.497 29 S N 8.201 124.206 115.700 0.509 0.000 3.483 29 S HA 0.249 4.720 4.470 0.001 0.000 0.274 29 S C 0.426 175.228 174.600 0.338 0.000 1.289 29 S CA -0.958 57.405 58.200 0.271 0.000 0.938 29 S CB -0.000 63.267 63.200 0.112 0.000 1.453 29 S HN 0.651 nan 8.310 nan 0.000 0.494 30 R N 3.103 123.743 120.500 0.233 0.000 2.446 30 R HA 0.152 4.493 4.340 0.001 0.000 0.325 30 R C 1.405 177.810 176.300 0.175 0.000 0.997 30 R CA -0.625 55.604 56.100 0.215 0.000 1.010 30 R CB 0.347 30.734 30.300 0.146 0.000 0.946 30 R HN 0.438 nan 8.270 nan 0.000 0.422 31 K N 3.195 123.742 120.400 0.244 0.000 2.137 31 K HA -0.328 3.993 4.320 0.001 0.000 0.216 31 K C 0.843 177.486 176.600 0.072 0.000 1.052 31 K CA 2.784 59.166 56.287 0.158 0.000 0.939 31 K CB -0.269 32.370 32.500 0.231 0.000 0.724 31 K HN 0.892 nan 8.250 nan 0.000 0.465 32 D N -0.457 119.997 120.400 0.090 0.000 2.384 32 D HA -0.140 4.501 4.640 0.001 0.000 0.222 32 D C 1.416 177.728 176.300 0.021 0.000 0.976 32 D CA 0.831 54.860 54.000 0.049 0.000 0.915 32 D CB -0.228 40.608 40.800 0.061 0.000 0.896 32 D HN 0.415 nan 8.370 nan 0.000 0.523 33 I N 0.070 120.660 120.570 0.033 0.000 3.858 33 I HA 0.097 4.268 4.170 0.001 0.000 0.325 33 I C -0.045 176.101 176.117 0.048 0.000 1.403 33 I CA -0.212 61.119 61.300 0.052 0.000 1.169 33 I CB -0.007 38.042 38.000 0.082 0.000 1.077 33 I HN -0.105 nan 8.210 nan 0.000 0.403 34 S N 1.619 117.253 115.700 -0.109 0.000 2.420 34 S HA 0.193 4.664 4.470 0.001 0.000 0.313 34 S C 0.135 174.361 174.600 -0.623 0.000 1.079 34 S CA -0.490 57.451 58.200 -0.432 0.000 1.104 34 S CB 0.930 63.932 63.200 -0.330 0.000 0.969 34 S HN 0.301 nan 8.310 nan 0.000 0.471 35 E N 2.426 121.978 120.200 -1.081 0.000 2.604 35 E HA -0.129 4.222 4.350 0.001 0.000 0.267 35 E C -0.193 176.119 176.600 -0.480 0.000 0.970 35 E CA 0.140 56.166 56.400 -0.623 0.000 0.956 35 E CB 0.247 29.571 29.700 -0.625 0.000 0.939 35 E HN 0.420 nan 8.360 nan 0.000 0.465 36 N N 2.526 121.091 118.700 -0.226 0.000 2.950 36 N HA 0.033 4.774 4.740 0.001 0.000 0.313 36 N C -0.406 175.072 175.510 -0.053 0.000 1.213 36 N CA 0.362 53.320 53.050 -0.152 0.000 1.184 36 N CB 0.263 38.702 38.487 -0.081 0.000 1.454 36 N HN 0.450 nan 8.380 nan 0.000 0.532 37 A N 0.940 123.626 122.820 -0.222 0.000 2.503 37 A HA 0.212 4.533 4.320 0.001 0.000 0.263 37 A C 1.508 179.004 177.584 -0.146 0.000 1.258 37 A CA -0.220 51.703 52.037 -0.190 0.000 0.936 37 A CB 0.064 18.888 19.000 -0.294 0.000 1.070 37 A HN 0.435 nan 8.150 nan 0.000 0.522 38 L N -0.703 120.382 121.223 -0.231 0.000 2.209 38 L HA -0.024 4.317 4.340 0.001 0.000 0.207 38 L C 2.006 178.570 176.870 -0.511 0.000 1.094 38 L CA 0.884 55.544 54.840 -0.301 0.000 0.790 38 L CB -0.483 41.325 42.059 -0.419 0.000 0.932 38 L HN 0.361 nan 8.230 nan 0.000 0.447 39 K N -0.121 120.020 120.400 -0.433 0.000 2.442 39 K HA -0.139 4.182 4.320 0.001 0.000 0.199 39 K C 1.860 178.456 176.600 -0.006 0.000 1.044 39 K CA 0.876 56.974 56.287 -0.315 0.000 0.941 39 K CB 0.020 32.422 32.500 -0.163 0.000 0.759 39 K HN 0.177 nan 8.250 nan 0.000 0.472 40 V N 0.364 120.343 119.914 0.109 0.000 3.125 40 V HA -0.041 4.080 4.120 0.001 0.000 0.249 40 V C 1.733 178.000 176.094 0.288 0.000 1.113 40 V CA 0.663 63.138 62.300 0.292 0.000 1.106 40 V CB -0.002 31.984 31.823 0.273 0.000 0.768 40 V HN 0.231 nan 8.190 nan 0.000 0.468 41 M N -1.229 118.492 119.600 0.203 0.000 2.193 41 M HA -0.048 4.433 4.480 0.001 0.000 0.265 41 M C 2.207 178.674 176.300 0.280 0.000 1.071 41 M CA 1.642 57.071 55.300 0.215 0.000 1.140 41 M CB -0.545 32.164 32.600 0.181 0.000 1.369 41 M HN 0.377 nan 8.290 nan 0.000 0.423 42 Y N 0.627 120.941 120.300 0.023 0.000 2.114 42 Y HA -0.231 4.320 4.550 0.001 0.000 0.282 42 Y C 2.580 178.472 175.900 -0.013 0.000 1.165 42 Y CA 1.518 59.613 58.100 -0.008 0.000 1.148 42 Y CB -1.058 37.392 38.460 -0.017 0.000 0.972 42 Y HN 0.197 nan 8.280 nan 0.000 0.504 43 R N -0.069 120.534 120.500 0.172 0.000 2.193 43 R HA -0.112 4.229 4.340 0.001 0.000 0.229 43 R C 1.990 178.324 176.300 0.058 0.000 1.110 43 R CA 0.710 56.817 56.100 0.013 0.000 0.988 43 R CB -0.258 29.919 30.300 -0.204 0.000 0.871 43 R HN 0.358 nan 8.270 nan 0.000 0.458 44 L N -0.522 120.807 121.223 0.176 0.000 2.071 44 L HA -0.074 4.267 4.340 0.001 0.000 0.201 44 L C 1.744 178.652 176.870 0.062 0.000 1.076 44 L CA 1.432 56.394 54.840 0.203 0.000 0.755 44 L CB -0.473 41.738 42.059 0.254 0.000 0.915 44 L HN 0.310 nan 8.230 nan 0.000 0.445 45 N N 0.231 118.951 118.700 0.034 0.000 2.069 45 N HA -0.200 4.541 4.740 0.001 0.000 0.191 45 N C 1.221 176.685 175.510 -0.077 0.000 1.031 45 N CA 1.027 54.053 53.050 -0.039 0.000 0.852 45 N CB -0.050 38.384 38.487 -0.090 0.000 1.018 45 N HN 0.244 nan 8.380 nan 0.000 0.423 46 K N 0.451 120.809 120.400 -0.069 0.000 2.616 46 K HA 0.043 4.364 4.320 0.001 0.000 0.192 46 K C 0.446 176.978 176.600 -0.113 0.000 1.031 46 K CA 0.173 56.411 56.287 -0.082 0.000 1.004 46 K CB 0.243 32.710 32.500 -0.055 0.000 0.810 46 K HN 0.218 nan 8.250 nan 0.000 0.497 47 A N -0.378 122.344 122.820 -0.163 0.000 2.609 47 A HA 0.423 4.744 4.320 0.001 0.000 0.286 47 A C 1.096 178.375 177.584 -0.509 0.000 1.138 47 A CA 0.271 52.133 52.037 -0.292 0.000 0.960 47 A CB 0.340 19.169 19.000 -0.285 0.000 1.208 47 A HN 0.305 nan 8.150 nan 0.000 0.541 48 G N -0.987 107.625 108.800 -0.314 0.000 2.299 48 G HA2 -0.318 3.643 3.960 0.001 0.000 0.237 48 G HA3 -0.318 3.643 3.960 0.001 0.000 0.237 48 G C 0.184 175.018 174.900 -0.109 0.000 1.027 48 G CA 0.490 45.439 45.100 -0.253 0.000 0.619 48 G HN 0.514 nan 8.290 nan 0.000 0.513 49 Y N 1.979 122.303 120.300 0.041 0.000 2.340 49 Y HA 0.588 5.139 4.550 0.001 0.000 0.327 49 Y C 0.941 176.869 175.900 0.047 0.000 1.321 49 Y CA -1.020 57.113 58.100 0.055 0.000 1.433 49 Y CB 0.327 38.813 38.460 0.045 0.000 1.373 49 Y HN 0.550 nan 8.280 nan 0.000 0.538 50 E N 0.407 120.768 120.200 0.267 0.000 2.244 50 E HA 0.864 5.215 4.350 0.001 0.000 0.266 50 E C -1.600 175.070 176.600 0.116 0.000 0.914 50 E CA -1.392 55.092 56.400 0.141 0.000 0.794 50 E CB 2.241 32.083 29.700 0.237 0.000 1.210 50 E HN 0.624 nan 8.360 nan 0.000 0.414 51 A N 2.252 125.020 122.820 -0.086 0.000 2.475 51 A HA 0.682 5.003 4.320 0.001 0.000 0.301 51 A C -1.920 175.549 177.584 -0.193 0.000 1.059 51 A CA -0.811 51.213 52.037 -0.022 0.000 0.710 51 A CB 0.716 19.731 19.000 0.024 0.000 1.288 51 A HN 0.667 nan 8.150 nan 0.000 0.408 52 W N 0.198 121.585 121.300 0.146 0.000 2.992 52 W HA 0.700 5.360 4.660 0.001 0.000 0.342 52 W C -0.964 175.626 176.519 0.119 0.000 1.176 52 W CA -0.686 56.779 57.345 0.199 0.000 1.118 52 W CB 1.496 31.172 29.460 0.361 0.000 1.457 52 W HN 0.509 nan 8.180 nan 0.000 0.573 53 L N 2.387 123.858 121.223 0.414 0.000 2.322 53 L HA 0.769 5.110 4.340 0.001 0.000 0.281 53 L C -0.283 176.607 176.870 0.034 0.000 1.014 53 L CA -0.915 54.038 54.840 0.188 0.000 0.815 53 L CB 1.216 43.373 42.059 0.163 0.000 1.247 53 L HN 0.303 nan 8.230 nan 0.000 0.421 54 V N 1.353 121.200 119.914 -0.113 0.000 3.102 54 V HA 0.981 5.102 4.120 0.001 0.000 0.312 54 V C 0.745 176.710 176.094 -0.216 0.000 1.135 54 V CA -0.183 61.937 62.300 -0.300 0.000 1.022 54 V CB 0.729 32.252 31.823 -0.500 0.000 1.056 54 V HN 0.971 nan 8.190 nan 0.000 0.436 55 G N 1.547 110.206 108.800 -0.235 0.000 2.700 55 G HA2 -0.182 3.779 3.960 0.001 0.000 0.350 55 G HA3 -0.182 3.779 3.960 0.001 0.000 0.350 55 G C 1.268 176.056 174.900 -0.186 0.000 1.250 55 G CA 1.986 46.973 45.100 -0.188 0.000 0.978 55 G HN 2.369 nan 8.290 nan 0.000 0.551 56 G N -0.041 108.661 108.800 -0.164 0.000 3.364 56 G HA2 -0.119 3.842 3.960 0.001 0.000 0.282 56 G HA3 -0.119 3.842 3.960 0.001 0.000 0.282 56 G C 2.061 176.827 174.900 -0.223 0.000 1.007 56 G CA 3.373 48.372 45.100 -0.169 0.000 0.817 56 G HN 2.026 nan 8.290 nan 0.000 1.152 57 G N 0.101 108.721 108.800 -0.299 0.000 2.453 57 G HA2 -0.050 3.911 3.960 0.001 0.000 0.215 57 G HA3 -0.050 3.911 3.960 0.001 0.000 0.215 57 G C 2.047 176.790 174.900 -0.260 0.000 1.201 57 G CA 3.060 47.921 45.100 -0.400 0.000 0.784 57 G HN 1.417 nan 8.290 nan 0.000 0.545 58 V N 0.123 119.918 119.914 -0.199 0.000 2.428 58 V HA -0.290 3.831 4.120 0.001 0.000 0.255 58 V C 2.515 178.534 176.094 -0.125 0.000 1.080 58 V CA 2.669 64.886 62.300 -0.138 0.000 1.083 58 V CB -0.797 30.975 31.823 -0.085 0.000 0.665 58 V HN 0.449 nan 8.190 nan 0.000 0.461 59 R N 0.497 120.909 120.500 -0.148 0.000 2.070 59 R HA -0.160 4.181 4.340 0.001 0.000 0.227 59 R C 2.285 178.514 176.300 -0.118 0.000 1.147 59 R CA 2.184 58.201 56.100 -0.138 0.000 0.924 59 R CB -0.707 29.482 30.300 -0.185 0.000 0.827 59 R HN 0.575 nan 8.270 nan 0.000 0.431 60 D N 0.880 121.200 120.400 -0.134 0.000 2.116 60 D HA -0.210 4.431 4.640 0.001 0.000 0.193 60 D C 2.105 178.356 176.300 -0.081 0.000 0.998 60 D CA 1.450 55.386 54.000 -0.106 0.000 0.836 60 D CB -0.231 40.494 40.800 -0.125 0.000 0.951 60 D HN 0.310 nan 8.370 nan 0.000 0.449 61 L N 0.403 121.566 121.223 -0.101 0.000 1.989 61 L HA -0.207 4.134 4.340 0.001 0.000 0.211 61 L C 2.750 179.610 176.870 -0.017 0.000 1.071 61 L CA 0.920 55.726 54.840 -0.058 0.000 0.749 61 L CB -0.489 41.522 42.059 -0.080 0.000 0.890 61 L HN 0.051 nan 8.230 nan 0.000 0.431 62 L N -0.734 120.473 121.223 -0.027 0.000 2.079 62 L HA -0.256 4.084 4.340 0.001 0.000 0.210 62 L C 2.498 179.378 176.870 0.015 0.000 1.081 62 L CA 1.126 55.971 54.840 0.008 0.000 0.752 62 L CB -0.399 41.651 42.059 -0.015 0.000 0.896 62 L HN 0.247 nan 8.230 nan 0.000 0.433 63 L N -1.173 120.044 121.223 -0.012 0.000 1.976 63 L HA -0.135 4.206 4.340 0.001 0.000 0.209 63 L C 1.894 178.768 176.870 0.006 0.000 1.071 63 L CA 1.753 56.588 54.840 -0.008 0.000 0.746 63 L CB -0.553 41.489 42.059 -0.028 0.000 0.890 63 L HN 0.481 nan 8.230 nan 0.000 0.432 64 G N -2.368 106.434 108.800 0.002 0.000 3.819 64 G HA2 -0.098 3.863 3.960 0.001 0.000 0.210 64 G HA3 -0.098 3.863 3.960 0.001 0.000 0.210 64 G C 0.118 175.021 174.900 0.006 0.000 1.018 64 G CA -0.502 44.606 45.100 0.013 0.000 0.882 64 G HN 0.078 nan 8.290 nan 0.000 0.377 65 K N 0.806 121.203 120.400 -0.005 0.000 2.443 65 K HA 0.105 4.426 4.320 0.001 0.000 0.268 65 K C 0.208 176.800 176.600 -0.014 0.000 0.971 65 K CA 0.457 56.740 56.287 -0.007 0.000 0.902 65 K CB 0.425 32.918 32.500 -0.012 0.000 0.950 65 K HN 0.191 nan 8.250 nan 0.000 0.525 66 K N 3.194 123.589 120.400 -0.008 0.000 2.284 66 K HA 0.127 4.448 4.320 0.001 0.000 0.287 66 K C -2.096 174.472 176.600 -0.054 0.000 1.081 66 K CA -1.844 54.439 56.287 -0.007 0.000 0.910 66 K CB 0.539 33.047 32.500 0.012 0.000 1.088 66 K HN 0.311 nan 8.250 nan 0.000 0.478 67 P HA -0.088 nan 4.420 nan 0.000 0.269 67 P C -0.672 176.484 177.300 -0.239 0.000 1.205 67 P CA 0.287 63.218 63.100 -0.283 0.000 0.780 67 P CB 0.619 31.949 31.700 -0.618 0.000 0.858 68 K N 0.544 120.800 120.400 -0.240 0.000 2.478 68 K HA 0.197 4.518 4.320 0.001 0.000 0.205 68 K C -0.350 176.153 176.600 -0.162 0.000 1.033 68 K CA -0.062 56.142 56.287 -0.140 0.000 1.091 68 K CB 0.390 32.856 32.500 -0.058 0.000 0.844 68 K HN 0.478 nan 8.250 nan 0.000 0.507 69 D N -0.656 119.552 120.400 -0.320 0.000 2.724 69 D HA 0.037 4.678 4.640 0.001 0.000 0.227 69 D C -1.699 174.349 176.300 -0.420 0.000 1.004 69 D CA -0.370 53.495 54.000 -0.226 0.000 0.838 69 D CB 0.583 41.305 40.800 -0.129 0.000 3.251 69 D HN -0.150 nan 8.370 nan 0.000 0.464 70 F N 2.031 121.914 119.950 -0.111 0.000 2.426 70 F HA 0.374 4.901 4.527 0.001 0.000 0.348 70 F C 0.401 176.130 175.800 -0.119 0.000 1.124 70 F CA -0.540 57.390 58.000 -0.116 0.000 1.008 70 F CB 1.445 40.369 39.000 -0.126 0.000 1.139 70 F HN -0.087 nan 8.300 nan 0.000 0.452 71 D N 3.870 124.287 120.400 0.028 0.000 2.425 71 D HA 0.339 4.980 4.640 0.001 0.000 0.240 71 D C -0.552 175.751 176.300 0.006 0.000 1.080 71 D CA -0.237 53.756 54.000 -0.011 0.000 0.836 71 D CB 2.713 43.486 40.800 -0.045 0.000 1.125 71 D HN 0.388 nan 8.370 nan 0.000 0.525 72 V N 0.604 120.519 119.914 0.002 0.000 2.837 72 V HA 0.797 4.918 4.120 0.001 0.000 0.310 72 V C -0.122 175.968 176.094 -0.007 0.000 1.059 72 V CA -0.157 62.158 62.300 0.026 0.000 1.004 72 V CB 1.836 33.668 31.823 0.015 0.000 1.045 72 V HN 0.556 nan 8.190 nan 0.000 0.465 73 T N 2.362 116.938 114.554 0.036 0.000 2.881 73 T HA 0.633 4.984 4.350 0.001 0.000 0.290 73 T C -0.562 174.010 174.700 -0.213 0.000 1.000 73 T CA 0.161 62.218 62.100 -0.071 0.000 0.978 73 T CB 1.548 70.467 68.868 0.086 0.000 0.997 73 T HN 1.306 nan 8.240 nan 0.000 0.443 74 T N 1.863 116.112 114.554 -0.509 0.000 2.864 74 T HA 0.509 4.860 4.350 0.001 0.000 0.289 74 T C 0.215 174.335 174.700 -0.966 0.000 1.082 74 T CA -0.692 61.080 62.100 -0.547 0.000 1.009 74 T CB 1.128 69.852 68.868 -0.239 0.000 1.234 74 T HN 0.820 nan 8.240 nan 0.000 0.526 75 N N 0.649 119.050 118.700 -0.499 0.000 2.328 75 N HA 0.468 5.209 4.740 0.001 0.000 0.247 75 N C -0.129 175.170 175.510 -0.352 0.000 1.165 75 N CA -0.801 52.122 53.050 -0.212 0.000 0.873 75 N CB 0.766 39.466 38.487 0.356 0.000 1.125 75 N HN 0.468 nan 8.380 nan 0.000 0.513 76 A N 0.832 123.329 122.820 -0.539 0.000 2.301 76 A HA 0.401 4.722 4.320 0.001 0.000 0.312 76 A C 0.506 177.746 177.584 -0.574 0.000 1.182 76 A CA -0.452 51.125 52.037 -0.766 0.000 0.826 76 A CB 0.513 18.975 19.000 -0.896 0.000 1.134 76 A HN 0.283 nan 8.150 nan 0.000 0.501 77 T N 4.207 118.463 114.554 -0.496 0.000 2.939 77 T HA 0.090 4.441 4.350 0.001 0.000 0.312 77 T C -1.752 172.767 174.700 -0.302 0.000 1.064 77 T CA 0.199 62.056 62.100 -0.405 0.000 1.136 77 T CB 0.110 68.888 68.868 -0.151 0.000 1.035 77 T HN 0.457 nan 8.240 nan 0.000 0.538 78 P HA -0.047 nan 4.420 nan 0.000 0.236 78 P C 1.190 178.439 177.300 -0.086 0.000 1.172 78 P CA 0.637 63.619 63.100 -0.197 0.000 0.759 78 P CB 0.213 31.791 31.700 -0.205 0.000 0.843 79 E N 0.147 120.319 120.200 -0.046 0.000 2.038 79 E HA -0.159 4.191 4.350 0.001 0.000 0.190 79 E C 1.772 178.377 176.600 0.009 0.000 0.967 79 E CA 0.654 57.060 56.400 0.010 0.000 0.816 79 E CB -0.425 29.301 29.700 0.044 0.000 0.784 79 E HN 0.148 nan 8.360 nan 0.000 0.456 80 Q N 0.509 120.297 119.800 -0.020 0.000 2.112 80 Q HA -0.181 4.160 4.340 0.001 0.000 0.206 80 Q C 2.413 178.467 176.000 0.090 0.000 0.987 80 Q CA 2.008 57.833 55.803 0.038 0.000 0.858 80 Q CB -0.235 28.470 28.738 -0.055 0.000 0.905 80 Q HN 0.232 nan 8.270 nan 0.000 0.420 81 V N 1.166 121.071 119.914 -0.015 0.000 2.392 81 V HA -0.277 3.844 4.120 0.001 0.000 0.249 81 V C 2.175 178.311 176.094 0.070 0.000 1.059 81 V CA 1.968 64.274 62.300 0.010 0.000 1.051 81 V CB -0.610 31.108 31.823 -0.174 0.000 0.658 81 V HN 0.316 nan 8.190 nan 0.000 0.455 82 R N -0.080 120.443 120.500 0.039 0.000 2.115 82 R HA -0.127 4.214 4.340 0.001 0.000 0.230 82 R C 2.417 178.803 176.300 0.143 0.000 1.111 82 R CA 1.276 57.417 56.100 0.070 0.000 0.976 82 R CB -0.255 30.069 30.300 0.040 0.000 0.870 82 R HN 0.497 nan 8.270 nan 0.000 0.445 83 K N 0.968 121.456 120.400 0.147 0.000 2.007 83 K HA -0.100 4.221 4.320 0.001 0.000 0.206 83 K C 1.862 178.568 176.600 0.178 0.000 1.047 83 K CA 0.894 57.266 56.287 0.141 0.000 0.937 83 K CB -0.049 32.523 32.500 0.121 0.000 0.718 83 K HN 0.005 nan 8.250 nan 0.000 0.438 84 L N 0.674 122.054 121.223 0.263 0.000 2.447 84 L HA -0.082 4.259 4.340 0.001 0.000 0.225 84 L C 0.101 177.023 176.870 0.086 0.000 1.148 84 L CA 1.242 56.214 54.840 0.219 0.000 0.808 84 L CB 0.046 42.322 42.059 0.361 0.000 0.928 84 L HN 0.112 nan 8.230 nan 0.000 0.448 85 F N -1.448 118.533 119.950 0.051 0.000 2.623 85 F HA 0.270 4.798 4.527 0.001 0.000 0.361 85 F C 1.430 177.254 175.800 0.039 0.000 1.469 85 F CA -0.632 57.396 58.000 0.046 0.000 1.126 85 F CB -0.144 38.888 39.000 0.054 0.000 1.221 85 F HN -0.048 nan 8.300 nan 0.000 0.536 86 R N -0.800 119.782 120.500 0.136 0.000 2.127 86 R HA 0.033 4.374 4.340 0.001 0.000 0.217 86 R C 1.058 177.398 176.300 0.067 0.000 1.074 86 R CA 1.153 57.309 56.100 0.094 0.000 0.991 86 R CB -0.282 30.054 30.300 0.061 0.000 0.895 86 R HN 0.244 nan 8.270 nan 0.000 0.450 87 N N 0.718 119.439 118.700 0.036 0.000 2.331 87 N HA -0.032 4.709 4.740 0.001 0.000 0.180 87 N C 0.243 175.776 175.510 0.038 0.000 1.019 87 N CA 0.844 53.902 53.050 0.014 0.000 0.881 87 N CB 0.004 38.473 38.487 -0.030 0.000 0.972 87 N HN 0.198 nan 8.380 nan 0.000 0.435 88 C N 1.355 120.709 119.300 0.090 0.000 2.580 88 C HA 0.215 4.676 4.460 0.001 0.000 0.371 88 C C 1.120 176.194 174.990 0.140 0.000 1.308 88 C CA -0.784 58.322 59.018 0.146 0.000 2.428 88 C CB 0.178 28.103 27.740 0.308 0.000 2.529 88 C HN 0.382 nan 8.230 nan 0.000 0.657 89 R N 2.218 122.803 120.500 0.142 0.000 3.657 89 R HA 0.325 4.666 4.340 0.001 0.000 0.220 89 R C -0.531 175.846 176.300 0.128 0.000 1.548 89 R CA -0.025 56.146 56.100 0.118 0.000 1.465 89 R CB -0.585 29.779 30.300 0.107 0.000 1.330 89 R HN 0.746 nan 8.270 nan 0.000 0.707 90 L N -1.099 120.196 121.223 0.120 0.000 2.261 90 L HA 0.404 4.744 4.340 0.001 0.000 0.289 90 L C -0.160 176.757 176.870 0.078 0.000 1.059 90 L CA -0.950 53.947 54.840 0.096 0.000 0.816 90 L CB 1.253 43.360 42.059 0.080 0.000 1.191 90 L HN -0.004 nan 8.230 nan 0.000 0.431 91 V N 5.362 125.330 119.914 0.091 0.000 2.302 91 V HA 0.162 4.283 4.120 0.001 0.000 0.244 91 V C 1.660 177.784 176.094 0.049 0.000 1.160 91 V CA 0.332 62.681 62.300 0.081 0.000 1.127 91 V CB -0.564 31.327 31.823 0.113 0.000 1.253 91 V HN 1.030 nan 8.190 nan 0.000 0.496 92 G N 4.189 113.004 108.800 0.026 0.000 2.196 92 G HA2 0.157 4.118 3.960 0.001 0.000 0.448 92 G HA3 0.157 4.118 3.960 0.001 0.000 0.448 92 G C 0.339 175.217 174.900 -0.036 0.000 1.369 92 G CA 0.016 45.115 45.100 -0.002 0.000 1.136 92 G HN 0.789 nan 8.290 nan 0.000 0.607 93 R N -3.277 117.211 120.500 -0.020 0.000 4.032 93 R HA -0.101 4.240 4.340 0.001 0.000 0.424 93 R C 0.498 176.774 176.300 -0.041 0.000 0.241 93 R CA 0.509 56.597 56.100 -0.020 0.000 1.347 93 R CB -0.510 29.776 30.300 -0.024 0.000 1.148 93 R HN 1.182 nan 8.270 nan 0.000 0.489 94 R N -0.194 120.301 120.500 -0.009 0.000 1.238 94 R HA -0.187 4.154 4.340 0.001 0.000 0.414 94 R C -1.008 175.316 176.300 0.040 0.000 1.344 94 R CA 0.828 56.926 56.100 -0.002 0.000 1.242 94 R CB -0.272 29.973 30.300 -0.093 0.000 3.546 94 R HN 0.411 nan 8.270 nan 0.000 0.491 95 F N 4.561 124.492 119.950 -0.032 0.000 2.410 95 F HA 0.319 4.847 4.527 0.002 0.000 0.334 95 F C 1.573 177.367 175.800 -0.010 0.000 1.134 95 F CA 0.914 58.907 58.000 -0.012 0.000 1.227 95 F CB 0.588 39.595 39.000 0.012 0.000 1.194 95 F HN 0.792 nan 8.300 nan 0.000 0.571 96 R N 0.975 120.650 120.500 -1.374 0.000 1.373 96 R HA -0.287 4.054 4.340 0.001 0.000 0.053 96 R C -0.245 175.774 176.300 -0.468 0.000 0.951 96 R CA 1.683 57.145 56.100 -1.063 0.000 1.972 96 R CB -1.626 28.174 30.300 -0.832 0.000 0.285 96 R HN 0.594 nan 8.270 nan 0.000 0.723 97 L N 1.971 123.007 121.223 -0.312 0.000 2.361 97 L HA 0.418 4.759 4.340 0.001 0.000 0.278 97 L C 0.162 176.917 176.870 -0.192 0.000 1.113 97 L CA -0.171 54.552 54.840 -0.196 0.000 0.849 97 L CB 1.141 43.115 42.059 -0.142 0.000 1.155 97 L HN 0.424 nan 8.230 nan 0.000 0.452 98 A N 4.468 127.207 122.820 -0.136 0.000 2.342 98 A HA 0.557 4.877 4.320 0.001 0.000 0.323 98 A C -0.993 176.619 177.584 0.046 0.000 1.125 98 A CA -0.473 51.499 52.037 -0.108 0.000 0.785 98 A CB 0.610 19.510 19.000 -0.167 0.000 1.221 98 A HN 0.814 nan 8.150 nan 0.000 0.463 99 H N 0.164 119.168 119.070 -0.109 0.000 2.529 99 H HA 0.658 5.215 4.556 0.001 0.000 0.348 99 H C -1.152 174.127 175.328 -0.081 0.000 1.152 99 H CA -0.876 55.116 56.048 -0.093 0.000 1.202 99 H CB 2.142 31.870 29.762 -0.055 0.000 1.562 99 H HN 0.414 nan 8.280 nan 0.000 0.515 100 V N 3.983 123.882 119.914 -0.025 0.000 2.760 100 V HA 0.208 4.328 4.120 0.001 0.000 0.309 100 V C -0.424 175.645 176.094 -0.041 0.000 1.077 100 V CA -0.664 61.637 62.300 0.001 0.000 0.910 100 V CB 2.254 34.078 31.823 0.002 0.000 1.008 100 V HN 0.690 nan 8.190 nan 0.000 0.424 101 M N 3.807 123.463 119.600 0.094 0.000 2.644 101 M HA 0.643 5.123 4.480 0.001 0.000 0.316 101 M C -1.212 175.366 176.300 0.463 0.000 1.200 101 M CA 0.070 55.442 55.300 0.121 0.000 0.944 101 M CB 2.058 34.719 32.600 0.102 0.000 1.691 101 M HN 0.590 nan 8.290 nan 0.000 0.471 102 F N 0.146 120.091 119.950 -0.008 0.000 1.928 102 F HA 0.576 5.104 4.527 0.001 0.000 0.221 102 F C 1.121 176.915 175.800 -0.011 0.000 1.265 102 F CA 0.456 58.449 58.000 -0.011 0.000 1.270 102 F CB -0.475 38.511 39.000 -0.025 0.000 1.955 102 F HN 0.673 nan 8.300 nan 0.000 0.147 103 G N -0.136 108.814 108.800 0.250 0.000 2.851 103 G HA2 0.308 4.269 3.960 0.001 0.000 0.208 103 G HA3 0.308 4.269 3.960 0.001 0.000 0.208 103 G C -2.010 172.934 174.900 0.073 0.000 1.894 103 G CA -0.042 45.128 45.100 0.117 0.000 0.732 103 G HN 0.126 nan 8.290 nan 0.000 0.802 104 P HA 0.302 nan 4.420 nan 0.000 0.254 104 P C -0.559 176.743 177.300 0.002 0.000 1.494 104 P CA 0.231 63.346 63.100 0.024 0.000 0.961 104 P CB 0.669 32.382 31.700 0.022 0.000 1.493 105 E N 0.985 121.184 120.200 -0.002 0.000 2.176 105 E HA 0.447 4.798 4.350 0.001 0.000 0.267 105 E C -1.041 175.435 176.600 -0.207 0.000 0.893 105 E CA -0.780 55.559 56.400 -0.102 0.000 0.761 105 E CB 0.851 30.472 29.700 -0.131 0.000 1.133 105 E HN -0.070 nan 8.360 nan 0.000 0.409 106 I N 4.424 124.855 120.570 -0.232 0.000 2.509 106 I HA 0.347 4.518 4.170 0.001 0.000 0.293 106 I C -0.729 175.186 176.117 -0.338 0.000 1.020 106 I CA -0.754 60.378 61.300 -0.279 0.000 1.088 106 I CB 1.654 39.505 38.000 -0.248 0.000 1.267 106 I HN 0.422 nan 8.210 nan 0.000 0.430 107 I N 4.316 124.665 120.570 -0.367 0.000 2.382 107 I HA 0.320 4.490 4.170 0.001 0.000 0.286 107 I C 0.190 176.159 176.117 -0.247 0.000 1.002 107 I CA -0.569 60.554 61.300 -0.295 0.000 1.135 107 I CB 1.198 39.015 38.000 -0.304 0.000 1.288 107 I HN 0.659 nan 8.210 nan 0.000 0.448 108 E N 4.805 124.887 120.200 -0.197 0.000 2.290 108 E HA 0.310 4.661 4.350 0.001 0.000 0.277 108 E C -0.882 175.677 176.600 -0.068 0.000 1.035 108 E CA -0.125 56.221 56.400 -0.091 0.000 0.873 108 E CB 1.464 31.141 29.700 -0.038 0.000 1.029 108 E HN 0.286 nan 8.360 nan 0.000 0.419 109 V N 3.696 123.571 119.914 -0.065 0.000 2.320 109 V HA 0.344 4.465 4.120 0.001 0.000 0.268 109 V C -0.221 175.780 176.094 -0.154 0.000 1.021 109 V CA -0.571 61.648 62.300 -0.134 0.000 0.813 109 V CB 1.064 32.749 31.823 -0.229 0.000 1.054 109 V HN 0.691 nan 8.190 nan 0.000 0.444 110 A N 3.112 125.848 122.820 -0.141 0.000 2.306 110 A HA 0.795 5.115 4.320 0.001 0.000 0.314 110 A C 0.456 177.893 177.584 -0.246 0.000 1.164 110 A CA -0.308 51.625 52.037 -0.174 0.000 0.822 110 A CB 0.749 19.686 19.000 -0.105 0.000 1.130 110 A HN 0.577 nan 8.150 nan 0.000 0.496 111 T N 2.080 116.456 114.554 -0.296 0.000 2.899 111 T HA 0.407 4.757 4.350 0.001 0.000 0.295 111 T C 0.298 174.889 174.700 -0.182 0.000 1.033 111 T CA 0.187 62.065 62.100 -0.370 0.000 1.084 111 T CB 0.084 68.679 68.868 -0.455 0.000 0.979 111 T HN 0.363 nan 8.240 nan 0.000 0.532 112 F N 1.514 121.440 119.950 -0.041 0.000 2.579 112 F HA 0.275 4.803 4.527 0.001 0.000 0.311 112 F C 1.574 177.467 175.800 0.154 0.000 1.272 112 F CA -0.307 57.736 58.000 0.071 0.000 1.335 112 F CB 0.524 39.579 39.000 0.092 0.000 1.191 112 F HN 0.453 nan 8.300 nan 0.000 0.575 113 R N -0.089 120.652 120.500 0.401 0.000 2.799 113 R HA 0.861 5.202 4.340 0.001 0.000 0.270 113 R C -0.994 175.424 176.300 0.196 0.000 1.010 113 R CA -1.176 55.102 56.100 0.297 0.000 0.916 113 R CB 1.759 32.185 30.300 0.211 0.000 1.228 113 R HN 0.753 nan 8.270 nan 0.000 0.469 139 I N 2.553 122.882 120.570 -0.402 0.000 2.055 139 I HA -0.141 4.030 4.170 0.001 0.000 0.228 139 I C 0.919 176.912 176.117 -0.207 0.000 1.050 139 I CA 1.521 62.636 61.300 -0.307 0.000 1.326 139 I CB -0.473 37.331 38.000 -0.326 0.000 1.077 139 I HN 0.020 nan 8.210 nan 0.000 0.392 140 F N 0.230 120.247 119.950 0.112 0.000 2.373 140 F HA 0.635 5.163 4.527 0.001 0.000 0.302 140 F C 0.716 176.572 175.800 0.093 0.000 1.247 140 F CA -0.127 57.945 58.000 0.121 0.000 1.169 140 F CB -0.283 38.808 39.000 0.152 0.000 1.309 140 F HN 0.205 nan 8.300 nan 0.000 0.537 141 G N -0.543 108.485 108.800 0.380 0.000 2.539 141 G HA2 0.286 4.247 3.960 0.001 0.000 0.138 141 G HA3 0.286 4.247 3.960 0.001 0.000 0.138 141 G C -1.097 173.850 174.900 0.079 0.000 1.148 141 G CA -0.550 44.673 45.100 0.206 0.000 1.057 141 G HN 0.744 nan 8.290 nan 0.000 0.511 142 S N -0.041 115.623 115.700 -0.060 0.000 2.580 142 S HA 0.135 4.606 4.470 0.001 0.000 0.261 142 S C 1.608 175.842 174.600 -0.610 0.000 1.366 142 S CA -0.137 57.922 58.200 -0.235 0.000 0.996 142 S CB 0.684 63.779 63.200 -0.175 0.000 0.902 142 S HN 0.518 nan 8.310 nan 0.000 0.566 143 I N 1.183 121.258 120.570 -0.824 0.000 2.676 143 I HA -0.078 4.093 4.170 0.001 0.000 0.259 143 I C 2.045 177.771 176.117 -0.651 0.000 1.194 143 I CA 1.548 62.106 61.300 -1.236 0.000 1.473 143 I CB -0.585 36.807 38.000 -1.013 0.000 1.096 143 I HN 0.853 nan 8.210 nan 0.000 0.443 144 E N 0.694 120.715 120.200 -0.299 0.000 2.158 144 E HA -0.193 4.158 4.350 0.001 0.000 0.191 144 E C 1.866 178.377 176.600 -0.149 0.000 0.982 144 E CA 0.637 56.957 56.400 -0.133 0.000 0.823 144 E CB 0.038 29.520 29.700 -0.364 0.000 0.766 144 E HN 0.490 nan 8.360 nan 0.000 0.468 145 E N 0.534 120.631 120.200 -0.171 0.000 2.077 145 E HA -0.213 4.138 4.350 0.001 0.000 0.193 145 E C 1.647 178.222 176.600 -0.041 0.000 0.989 145 E CA 1.471 57.817 56.400 -0.090 0.000 0.800 145 E CB -0.075 29.590 29.700 -0.058 0.000 0.746 145 E HN 0.330 nan 8.360 nan 0.000 0.452 146 D N 0.328 120.691 120.400 -0.063 0.000 2.117 146 D HA -0.106 4.535 4.640 0.001 0.000 0.198 146 D C 1.872 178.236 176.300 0.106 0.000 0.982 146 D CA 1.331 55.376 54.000 0.074 0.000 0.828 146 D CB -0.005 40.911 40.800 0.192 0.000 0.967 146 D HN 0.129 nan 8.370 nan 0.000 0.464 147 A N -0.084 122.754 122.820 0.031 0.000 2.139 147 A HA -0.222 4.099 4.320 0.001 0.000 0.221 147 A C 1.957 179.596 177.584 0.092 0.000 1.159 147 A CA 1.375 53.477 52.037 0.109 0.000 0.662 147 A CB -0.385 18.626 19.000 0.018 0.000 0.796 147 A HN 0.329 nan 8.150 nan 0.000 0.463 148 Q N -0.931 118.897 119.800 0.046 0.000 2.297 148 Q HA 0.044 4.385 4.340 0.001 0.000 0.203 148 Q C 1.696 177.706 176.000 0.017 0.000 0.931 148 Q CA 0.335 56.150 55.803 0.021 0.000 0.885 148 Q CB -0.210 28.526 28.738 -0.004 0.000 0.991 148 Q HN 0.625 nan 8.270 nan 0.000 0.498 149 R N 0.992 121.513 120.500 0.036 0.000 2.280 149 R HA 0.079 4.420 4.340 0.001 0.000 0.207 149 R C 0.825 177.141 176.300 0.027 0.000 1.043 149 R CA 0.140 56.259 56.100 0.032 0.000 1.006 149 R CB -0.116 30.219 30.300 0.058 0.000 0.885 149 R HN 0.143 nan 8.270 nan 0.000 0.467 150 R N 1.162 121.688 120.500 0.042 0.000 2.582 150 R HA -0.001 4.339 4.340 0.001 0.000 0.271 150 R C 0.491 176.775 176.300 -0.027 0.000 1.078 150 R CA -0.387 55.736 56.100 0.038 0.000 1.127 150 R CB 0.684 31.027 30.300 0.072 0.000 1.038 150 R HN -0.046 nan 8.270 nan 0.000 0.500 151 D N 1.669 122.051 120.400 -0.032 0.000 2.088 151 D HA -0.104 4.537 4.640 0.001 0.000 0.196 151 D C 0.315 176.343 176.300 -0.453 0.000 0.983 151 D CA 1.635 55.486 54.000 -0.249 0.000 0.846 151 D CB -0.080 40.675 40.800 -0.075 0.000 0.992 151 D HN 0.248 nan 8.370 nan 0.000 0.448 152 F N -0.202 119.736 119.950 -0.020 0.000 2.509 152 F HA 0.220 4.748 4.527 0.002 0.000 0.334 152 F C 2.015 177.783 175.800 -0.054 0.000 1.060 152 F CA -0.745 57.230 58.000 -0.041 0.000 0.997 152 F CB 0.754 39.712 39.000 -0.070 0.000 1.271 152 F HN -0.156 nan 8.300 nan 0.000 0.488 153 T N -0.736 113.907 114.554 0.148 0.000 2.564 153 T HA -0.222 4.129 4.350 0.001 0.000 0.259 153 T C 1.961 176.679 174.700 0.031 0.000 1.087 153 T CA 1.758 63.900 62.100 0.071 0.000 1.184 153 T CB -0.905 68.001 68.868 0.063 0.000 0.864 153 T HN 0.634 nan 8.240 nan 0.000 0.403 154 I N 1.074 121.640 120.570 -0.006 0.000 2.185 154 I HA -0.240 3.931 4.170 0.001 0.000 0.246 154 I C 1.886 177.933 176.117 -0.117 0.000 1.088 154 I CA 2.174 63.431 61.300 -0.072 0.000 1.347 154 I CB -1.041 36.885 38.000 -0.123 0.000 1.041 154 I HN 0.274 nan 8.210 nan 0.000 0.415 155 N N 0.441 119.053 118.700 -0.147 0.000 2.567 155 N HA -0.031 4.710 4.740 0.001 0.000 0.195 155 N C 0.823 176.274 175.510 -0.097 0.000 1.242 155 N CA 0.292 53.237 53.050 -0.174 0.000 0.884 155 N CB 0.112 38.474 38.487 -0.209 0.000 1.007 155 N HN 0.324 nan 8.380 nan 0.000 0.450 156 S N 0.460 116.128 115.700 -0.053 0.000 2.941 156 S HA 0.298 4.769 4.470 0.001 0.000 0.251 156 S C -0.268 174.350 174.600 0.030 0.000 1.029 156 S CA -0.458 57.737 58.200 -0.009 0.000 1.062 156 S CB 0.155 63.407 63.200 0.086 0.000 0.977 156 S HN 0.134 nan 8.310 nan 0.000 0.552 157 L N 2.525 123.714 121.223 -0.057 0.000 2.292 157 L HA 0.517 4.858 4.340 0.001 0.000 0.284 157 L C -0.940 175.901 176.870 -0.048 0.000 1.065 157 L CA -0.714 54.132 54.840 0.010 0.000 0.806 157 L CB 0.723 42.773 42.059 -0.015 0.000 1.175 157 L HN 0.259 nan 8.230 nan 0.000 0.431 158 Y N 2.359 122.580 120.300 -0.132 0.000 2.361 158 Y HA 0.396 4.947 4.550 0.001 0.000 0.332 158 Y C -0.460 175.579 175.900 0.232 0.000 1.101 158 Y CA -0.615 57.465 58.100 -0.034 0.000 1.137 158 Y CB 1.198 39.403 38.460 -0.424 0.000 1.207 158 Y HN 0.345 nan 8.280 nan 0.000 0.463 159 Y N 1.176 121.744 120.300 0.447 0.000 2.425 159 Y HA 0.604 5.154 4.550 0.001 0.000 0.344 159 Y C -0.700 175.459 175.900 0.433 0.000 0.969 159 Y CA -0.588 57.749 58.100 0.394 0.000 1.052 159 Y CB 1.766 40.307 38.460 0.134 0.000 1.215 159 Y HN 0.581 nan 8.280 nan 0.000 0.451 160 S N 3.958 119.632 115.700 -0.043 0.000 2.500 160 S HA 0.390 4.861 4.470 0.001 0.000 0.301 160 S C 0.346 174.704 174.600 -0.403 0.000 1.092 160 S CA -0.513 57.423 58.200 -0.440 0.000 1.030 160 S CB 1.208 63.695 63.200 -1.188 0.000 1.031 160 S HN 0.767 nan 8.310 nan 0.000 0.483 161 V N 3.235 123.034 119.914 -0.192 0.000 2.951 161 V HA 0.203 4.324 4.120 0.001 0.000 0.255 161 V C 2.313 178.093 176.094 -0.523 0.000 1.088 161 V CA 1.298 63.429 62.300 -0.281 0.000 1.109 161 V CB -1.448 30.330 31.823 -0.075 0.000 0.724 161 V HN 0.821 nan 8.190 nan 0.000 0.471 162 A N 2.108 124.722 122.820 -0.344 0.000 1.933 162 A HA -0.198 4.123 4.320 0.001 0.000 0.218 162 A C 1.932 179.503 177.584 -0.022 0.000 1.175 162 A CA 1.997 53.909 52.037 -0.208 0.000 0.628 162 A CB -0.505 18.368 19.000 -0.212 0.000 0.814 162 A HN 0.774 nan 8.150 nan 0.000 0.444 163 D N -3.807 116.573 120.400 -0.034 0.000 2.500 163 D HA 0.146 4.787 4.640 0.001 0.000 0.217 163 D C 0.015 176.544 176.300 0.381 0.000 1.159 163 D CA -0.223 53.899 54.000 0.202 0.000 0.828 163 D CB -0.456 40.388 40.800 0.073 0.000 1.039 163 D HN 0.239 nan 8.370 nan 0.000 0.512 164 F N 1.184 121.029 119.950 -0.175 0.000 3.048 164 F HA -0.247 4.281 4.527 0.001 0.000 0.287 164 F C 0.806 176.501 175.800 -0.174 0.000 0.796 164 F CA 0.991 58.870 58.000 -0.200 0.000 1.111 164 F CB -2.819 36.174 39.000 -0.012 0.000 1.320 164 F HN 0.171 nan 8.300 nan 0.000 0.430 165 T N -2.515 112.020 114.554 -0.032 0.000 2.944 165 T HA 0.761 5.112 4.350 0.001 0.000 0.284 165 T C -0.345 174.370 174.700 0.025 0.000 1.010 165 T CA -0.244 61.908 62.100 0.087 0.000 1.025 165 T CB 2.457 71.409 68.868 0.139 0.000 1.079 165 T HN 0.711 nan 8.240 nan 0.000 0.516 166 V N 2.258 122.240 119.914 0.113 0.000 2.487 166 V HA 0.699 4.819 4.120 0.001 0.000 0.298 166 V C -1.046 175.084 176.094 0.060 0.000 1.028 166 V CA -1.016 61.344 62.300 0.101 0.000 0.860 166 V CB 1.567 33.405 31.823 0.026 0.000 0.991 166 V HN 0.927 nan 8.190 nan 0.000 0.427 167 R N 4.117 124.589 120.500 -0.047 0.000 2.254 167 R HA 0.443 4.784 4.340 0.001 0.000 0.318 167 R C -0.869 175.256 176.300 -0.291 0.000 1.031 167 R CA -0.426 55.503 56.100 -0.286 0.000 0.905 167 R CB 0.946 30.780 30.300 -0.776 0.000 1.050 167 R HN 0.890 nan 8.270 nan 0.000 0.456 168 D N 2.489 122.808 120.400 -0.135 0.000 2.458 168 D HA 0.134 4.775 4.640 0.001 0.000 0.258 168 D C -0.553 175.826 176.300 0.131 0.000 1.134 168 D CA -0.367 53.622 54.000 -0.019 0.000 0.915 168 D CB 0.251 41.074 40.800 0.038 0.000 1.028 168 D HN 0.294 nan 8.370 nan 0.000 0.508 169 Y N 2.237 122.502 120.300 -0.057 0.000 2.718 169 Y HA 0.368 4.919 4.550 0.001 0.000 0.322 169 Y C 0.059 175.932 175.900 -0.045 0.000 1.122 169 Y CA -0.531 57.518 58.100 -0.084 0.000 1.348 169 Y CB -0.255 38.107 38.460 -0.164 0.000 1.174 169 Y HN 0.098 nan 8.280 nan 0.000 0.523 170 V N -2.555 117.435 119.914 0.126 0.000 3.279 170 V HA 0.388 4.509 4.120 0.001 0.000 0.296 170 V C 1.246 177.375 176.094 0.059 0.000 1.470 170 V CA -0.610 61.735 62.300 0.076 0.000 1.065 170 V CB 1.312 33.176 31.823 0.068 0.000 1.124 170 V HN 0.170 nan 8.190 nan 0.000 0.461 171 G N -0.035 108.792 108.800 0.046 0.000 2.485 171 G HA2 0.011 3.972 3.960 0.001 0.000 0.221 171 G HA3 0.011 3.972 3.960 0.001 0.000 0.221 171 G C 1.393 176.316 174.900 0.039 0.000 1.115 171 G CA 1.632 46.756 45.100 0.040 0.000 0.751 171 G HN 1.661 nan 8.290 nan 0.000 0.567 172 G N 1.343 110.167 108.800 0.039 0.000 3.465 172 G HA2 -0.515 3.445 3.960 0.001 0.000 0.274 172 G HA3 -0.515 3.445 3.960 0.001 0.000 0.274 172 G C 1.655 176.567 174.900 0.020 0.000 0.930 172 G CA 1.935 47.051 45.100 0.027 0.000 0.808 172 G HN 0.249 nan 8.290 nan 0.000 1.233 173 M N 0.357 119.972 119.600 0.025 0.000 2.471 173 M HA -0.181 4.300 4.480 0.001 0.000 0.260 173 M C 2.411 178.727 176.300 0.027 0.000 1.065 173 M CA 2.549 57.866 55.300 0.028 0.000 1.075 173 M CB -1.471 31.154 32.600 0.041 0.000 1.258 173 M HN 0.572 nan 8.290 nan 0.000 0.457 174 K N 0.145 120.564 120.400 0.031 0.000 2.059 174 K HA -0.230 4.091 4.320 0.001 0.000 0.212 174 K C 1.577 178.192 176.600 0.024 0.000 1.050 174 K CA 2.041 58.345 56.287 0.029 0.000 0.927 174 K CB -0.310 32.208 32.500 0.030 0.000 0.714 174 K HN 0.365 nan 8.250 nan 0.000 0.447 175 D N 0.896 121.311 120.400 0.025 0.000 2.123 175 D HA -0.189 4.452 4.640 0.001 0.000 0.196 175 D C 1.935 178.241 176.300 0.010 0.000 0.992 175 D CA 0.849 54.863 54.000 0.023 0.000 0.833 175 D CB -0.205 40.613 40.800 0.030 0.000 0.954 175 D HN 0.157 nan 8.370 nan 0.000 0.455 176 L N 1.609 122.834 121.223 0.002 0.000 2.079 176 L HA -0.159 4.182 4.340 0.001 0.000 0.210 176 L C 2.098 178.965 176.870 -0.004 0.000 1.081 176 L CA 1.756 56.588 54.840 -0.013 0.000 0.752 176 L CB -0.615 41.433 42.059 -0.018 0.000 0.896 176 L HN -0.115 nan 8.230 nan 0.000 0.433 177 K N -0.591 119.815 120.400 0.009 0.000 1.985 177 K HA -0.181 4.140 4.320 0.001 0.000 0.210 177 K C 1.645 178.253 176.600 0.012 0.000 1.047 177 K CA 1.900 58.196 56.287 0.014 0.000 0.932 177 K CB -0.249 32.264 32.500 0.022 0.000 0.716 177 K HN 0.391 nan 8.250 nan 0.000 0.439 178 D N -0.365 120.043 120.400 0.014 0.000 2.310 178 D HA -0.038 4.603 4.640 0.001 0.000 0.212 178 D C 0.567 176.874 176.300 0.012 0.000 0.965 178 D CA 1.290 55.299 54.000 0.015 0.000 0.879 178 D CB -0.021 40.791 40.800 0.020 0.000 0.921 178 D HN 0.584 nan 8.370 nan 0.000 0.510 179 G N 0.705 109.508 108.800 0.005 0.000 2.470 179 G HA2 -0.180 3.781 3.960 0.001 0.000 0.286 179 G HA3 -0.180 3.781 3.960 0.001 0.000 0.286 179 G C -0.287 174.617 174.900 0.007 0.000 1.115 179 G CA -0.125 44.974 45.100 -0.002 0.000 1.122 179 G HN 0.225 nan 8.290 nan 0.000 0.522 180 V N 1.771 121.691 119.914 0.011 0.000 2.525 180 V HA 0.576 4.697 4.120 0.001 0.000 0.299 180 V C 0.220 176.340 176.094 0.042 0.000 1.034 180 V CA -0.983 61.336 62.300 0.032 0.000 0.863 180 V CB 1.817 33.665 31.823 0.042 0.000 0.999 180 V HN 0.405 nan 8.190 nan 0.000 0.423 181 I N 5.302 125.910 120.570 0.063 0.000 2.301 181 I HA 0.471 4.642 4.170 0.001 0.000 0.292 181 I C 0.355 176.605 176.117 0.221 0.000 1.046 181 I CA 0.310 61.676 61.300 0.109 0.000 1.282 181 I CB 0.585 38.620 38.000 0.057 0.000 1.409 181 I HN 0.493 nan 8.210 nan 0.000 0.484 182 R N 6.613 127.267 120.500 0.257 0.000 2.480 182 R HA 0.548 4.889 4.340 0.001 0.000 0.306 182 R C -1.192 175.201 176.300 0.155 0.000 0.958 182 R CA -0.844 55.373 56.100 0.195 0.000 0.861 182 R CB 1.414 31.780 30.300 0.109 0.000 1.171 182 R HN 0.580 nan 8.270 nan 0.000 0.445 183 L N 4.504 125.741 121.223 0.024 0.000 2.417 183 L HA 0.108 4.449 4.340 0.001 0.000 0.268 183 L C 1.213 177.989 176.870 -0.158 0.000 1.158 183 L CA -0.128 54.548 54.840 -0.273 0.000 0.819 183 L CB 0.838 42.715 42.059 -0.304 0.000 1.112 183 L HN 0.793 nan 8.230 nan 0.000 0.458 184 I N 2.580 123.023 120.570 -0.212 0.000 2.054 184 I HA -0.131 4.040 4.170 0.001 0.000 0.231 184 I C 1.701 177.779 176.117 -0.065 0.000 1.052 184 I CA 2.142 63.378 61.300 -0.106 0.000 1.320 184 I CB -0.448 37.492 38.000 -0.101 0.000 1.063 184 I HN 0.825 nan 8.210 nan 0.000 0.393 185 G N -0.949 107.807 108.800 -0.074 0.000 3.078 185 G HA2 -0.099 3.862 3.960 0.001 0.000 0.163 185 G HA3 -0.099 3.862 3.960 0.001 0.000 0.163 185 G C -0.115 174.775 174.900 -0.016 0.000 1.894 185 G CA 0.205 45.281 45.100 -0.039 0.000 0.951 185 G HN 0.356 nan 8.290 nan 0.000 0.446 186 N N 0.857 119.555 118.700 -0.003 0.000 2.501 186 N HA 0.374 5.115 4.740 0.001 0.000 0.245 186 N C -1.678 173.869 175.510 0.063 0.000 0.974 186 N CA -2.057 51.010 53.050 0.028 0.000 0.941 186 N CB 1.987 40.490 38.487 0.027 0.000 1.122 186 N HN -0.139 nan 8.380 nan 0.000 0.507 187 P HA -0.281 nan 4.420 nan 0.000 0.214 187 P C 0.946 178.490 177.300 0.406 0.000 1.164 187 P CA 1.626 64.897 63.100 0.286 0.000 0.942 187 P CB 0.212 32.105 31.700 0.322 0.000 0.791 188 E N -1.058 119.275 120.200 0.222 0.000 2.113 188 E HA -0.257 4.093 4.350 0.001 0.000 0.210 188 E C 1.766 178.460 176.600 0.158 0.000 1.040 188 E CA 2.932 59.419 56.400 0.145 0.000 0.847 188 E CB -1.042 28.695 29.700 0.062 0.000 0.755 188 E HN 0.205 nan 8.360 nan 0.000 0.459 189 T N 0.624 115.243 114.554 0.108 0.000 2.737 189 T HA -0.084 4.267 4.350 0.001 0.000 0.265 189 T C 1.785 176.523 174.700 0.064 0.000 1.038 189 T CA 1.202 63.344 62.100 0.070 0.000 1.144 189 T CB -0.171 68.718 68.868 0.036 0.000 0.866 189 T HN 0.105 nan 8.240 nan 0.000 0.434 190 R N 0.599 121.122 120.500 0.039 0.000 2.070 190 R HA -0.014 4.327 4.340 0.001 0.000 0.233 190 R C 2.248 178.528 176.300 -0.032 0.000 1.137 190 R CA 1.395 57.465 56.100 -0.051 0.000 0.945 190 R CB -1.247 28.945 30.300 -0.180 0.000 0.845 190 R HN 0.492 nan 8.270 nan 0.000 0.430 191 Y N 1.206 121.502 120.300 -0.006 0.000 2.114 191 Y HA -0.234 4.317 4.550 0.001 0.000 0.282 191 Y C 2.736 178.645 175.900 0.016 0.000 1.165 191 Y CA 1.728 59.835 58.100 0.012 0.000 1.148 191 Y CB -0.351 38.124 38.460 0.025 0.000 0.972 191 Y HN 0.059 nan 8.280 nan 0.000 0.504 192 R N -0.113 120.501 120.500 0.189 0.000 2.091 192 R HA -0.220 4.121 4.340 0.001 0.000 0.238 192 R C 2.252 178.593 176.300 0.068 0.000 1.136 192 R CA 1.705 57.868 56.100 0.105 0.000 0.959 192 R CB -0.432 29.914 30.300 0.077 0.000 0.856 192 R HN 0.463 nan 8.270 nan 0.000 0.437 193 E N 0.467 120.697 120.200 0.050 0.000 2.085 193 E HA -0.194 4.157 4.350 0.001 0.000 0.194 193 E C -0.180 176.436 176.600 0.026 0.000 0.994 193 E CA 1.144 57.560 56.400 0.027 0.000 0.801 193 E CB 0.187 29.893 29.700 0.009 0.000 0.743 193 E HN 0.049 nan 8.360 nan 0.000 0.453 194 D N -1.506 118.909 120.400 0.025 0.000 2.328 194 D HA 0.166 4.807 4.640 0.001 0.000 0.243 194 D C -2.288 174.039 176.300 0.045 0.000 1.324 194 D CA -2.009 52.007 54.000 0.026 0.000 0.966 194 D CB 1.488 42.292 40.800 0.006 0.000 1.324 194 D HN -0.176 nan 8.370 nan 0.000 0.549 195 P HA -0.152 nan 4.420 nan 0.000 0.218 195 P C 1.597 178.968 177.300 0.119 0.000 1.146 195 P CA 0.635 63.809 63.100 0.124 0.000 0.813 195 P CB 0.433 32.191 31.700 0.096 0.000 0.778 196 V N 0.066 120.024 119.914 0.074 0.000 2.380 196 V HA -0.288 3.833 4.120 0.001 0.000 0.251 196 V C 2.316 178.454 176.094 0.072 0.000 1.063 196 V CA 1.736 64.074 62.300 0.064 0.000 1.055 196 V CB -1.160 30.688 31.823 0.043 0.000 0.657 196 V HN 0.154 nan 8.190 nan 0.000 0.455 197 R N -0.712 119.813 120.500 0.042 0.000 2.185 197 R HA -0.214 4.126 4.340 0.001 0.000 0.247 197 R C 2.265 178.626 176.300 0.101 0.000 1.159 197 R CA 1.866 57.972 56.100 0.009 0.000 0.988 197 R CB -0.470 29.694 30.300 -0.225 0.000 0.871 197 R HN 0.469 nan 8.270 nan 0.000 0.458 198 M N 0.324 120.054 119.600 0.216 0.000 2.117 198 M HA -0.159 4.322 4.480 0.001 0.000 0.262 198 M C 1.995 178.418 176.300 0.205 0.000 1.065 198 M CA 1.598 57.136 55.300 0.396 0.000 1.114 198 M CB 0.012 32.842 32.600 0.384 0.000 1.361 198 M HN 0.111 nan 8.290 nan 0.000 0.408 199 L N -0.866 120.429 121.223 0.119 0.000 2.027 199 L HA -0.204 4.137 4.340 0.001 0.000 0.206 199 L C 2.525 179.369 176.870 -0.043 0.000 1.074 199 L CA 1.292 56.154 54.840 0.037 0.000 0.745 199 L CB -0.639 41.435 42.059 0.027 0.000 0.898 199 L HN 0.229 nan 8.230 nan 0.000 0.433 200 R N 0.106 120.586 120.500 -0.033 0.000 2.073 200 R HA -0.148 4.192 4.340 0.001 0.000 0.234 200 R C 2.435 178.604 176.300 -0.219 0.000 1.134 200 R CA 1.349 57.317 56.100 -0.219 0.000 0.952 200 R CB -0.703 29.582 30.300 -0.025 0.000 0.850 200 R HN 0.358 nan 8.270 nan 0.000 0.433 201 A N 0.824 123.758 122.820 0.190 0.000 1.917 201 A HA -0.174 4.147 4.320 0.001 0.000 0.219 201 A C 2.323 179.888 177.584 -0.032 0.000 1.182 201 A CA 1.884 54.057 52.037 0.228 0.000 0.633 201 A CB -0.686 18.627 19.000 0.521 0.000 0.819 201 A HN 0.238 nan 8.150 nan 0.000 0.448 202 V N -0.137 119.723 119.914 -0.091 0.000 2.649 202 V HA -0.131 3.990 4.120 0.001 0.000 0.248 202 V C 2.534 178.512 176.094 -0.193 0.000 1.054 202 V CA 2.151 64.331 62.300 -0.201 0.000 1.073 202 V CB -0.608 31.055 31.823 -0.266 0.000 0.699 202 V HN 0.740 nan 8.190 nan 0.000 0.463 203 R N -0.707 119.652 120.500 -0.236 0.000 2.070 203 R HA -0.175 4.166 4.340 0.001 0.000 0.232 203 R C 2.160 178.292 176.300 -0.280 0.000 1.138 203 R CA 2.521 58.453 56.100 -0.280 0.000 0.936 203 R CB -0.699 29.362 30.300 -0.399 0.000 0.839 203 R HN 0.417 nan 8.270 nan 0.000 0.429 204 F N 1.222 121.012 119.950 -0.266 0.000 2.126 204 F HA -0.095 4.432 4.527 0.001 0.000 0.299 204 F C 2.635 178.273 175.800 -0.270 0.000 1.096 204 F CA 1.229 59.041 58.000 -0.313 0.000 1.255 204 F CB -1.066 37.656 39.000 -0.463 0.000 0.997 204 F HN 0.262 nan 8.300 nan 0.000 0.479 205 A N -0.265 122.523 122.820 -0.053 0.000 1.948 205 A HA -0.104 4.217 4.320 0.001 0.000 0.220 205 A C 2.388 179.920 177.584 -0.087 0.000 1.177 205 A CA 2.138 54.132 52.037 -0.071 0.000 0.636 205 A CB -1.157 17.792 19.000 -0.085 0.000 0.815 205 A HN 0.333 nan 8.150 nan 0.000 0.449 206 A N -0.786 121.966 122.820 -0.114 0.000 1.997 206 A HA 0.102 4.423 4.320 0.001 0.000 0.212 206 A C 2.022 179.488 177.584 -0.197 0.000 1.178 206 A CA 1.401 53.375 52.037 -0.106 0.000 0.698 206 A CB -0.278 18.677 19.000 -0.075 0.000 0.842 206 A HN 0.542 nan 8.150 nan 0.000 0.458 207 K N -0.092 120.118 120.400 -0.317 0.000 1.985 207 K HA -0.042 4.279 4.320 0.001 0.000 0.210 207 K C 0.311 176.550 176.600 -0.602 0.000 1.047 207 K CA 0.852 56.685 56.287 -0.757 0.000 0.932 207 K CB -0.415 31.793 32.500 -0.487 0.000 0.716 207 K HN 0.426 nan 8.250 nan 0.000 0.439 208 L N -0.207 120.849 121.223 -0.279 0.000 2.468 208 L HA 0.231 4.572 4.340 0.001 0.000 0.254 208 L C 1.168 177.964 176.870 -0.124 0.000 1.171 208 L CA -0.243 54.493 54.840 -0.172 0.000 0.809 208 L CB 0.759 42.745 42.059 -0.122 0.000 1.155 208 L HN 0.263 nan 8.230 nan 0.000 0.473 209 G N 1.493 110.251 108.800 -0.069 0.000 3.678 209 G HA2 0.294 4.254 3.960 0.001 0.000 0.287 209 G HA3 0.294 4.254 3.960 0.001 0.000 0.287 209 G C 0.164 175.051 174.900 -0.022 0.000 1.280 209 G CA -0.343 44.737 45.100 -0.034 0.000 1.118 209 G HN 0.428 nan 8.290 nan 0.000 0.563 210 M N -0.667 118.914 119.600 -0.032 0.000 2.762 210 M HA 0.661 5.142 4.480 0.001 0.000 0.306 210 M C -0.149 176.149 176.300 -0.004 0.000 1.223 210 M CA -1.098 54.193 55.300 -0.015 0.000 0.896 210 M CB 1.394 33.982 32.600 -0.021 0.000 1.684 210 M HN 0.097 nan 8.290 nan 0.000 0.491 211 R N 0.757 121.266 120.500 0.015 0.000 2.500 211 R HA 0.683 5.024 4.340 0.001 0.000 0.275 211 R C -1.066 175.265 176.300 0.052 0.000 1.051 211 R CA -0.708 55.413 56.100 0.036 0.000 1.088 211 R CB 0.106 30.431 30.300 0.043 0.000 1.063 211 R HN 0.565 nan 8.270 nan 0.000 0.511 212 I N 1.093 121.710 120.570 0.078 0.000 2.529 212 I HA 0.068 4.239 4.170 0.001 0.000 0.284 212 I C 0.831 177.024 176.117 0.126 0.000 1.082 212 I CA -0.102 61.265 61.300 0.111 0.000 1.406 212 I CB 1.172 39.254 38.000 0.138 0.000 1.405 212 I HN 0.665 nan 8.210 nan 0.000 0.548 213 S N 6.135 121.917 115.700 0.137 0.000 2.552 213 S HA 0.148 4.619 4.470 0.001 0.000 0.289 213 S C -1.457 173.214 174.600 0.119 0.000 1.304 213 S CA -0.790 57.481 58.200 0.118 0.000 1.063 213 S CB 0.566 63.838 63.200 0.121 0.000 0.848 213 S HN 0.464 nan 8.310 nan 0.000 0.499 214 P HA -0.174 nan 4.420 nan 0.000 0.212 214 P C 1.046 178.393 177.300 0.078 0.000 1.178 214 P CA 1.789 64.934 63.100 0.076 0.000 0.915 214 P CB -0.060 31.672 31.700 0.053 0.000 0.788 215 E N -1.385 118.858 120.200 0.072 0.000 2.333 215 E HA -0.105 4.246 4.350 0.001 0.000 0.198 215 E C 1.296 177.958 176.600 0.103 0.000 1.007 215 E CA 1.407 57.849 56.400 0.070 0.000 0.845 215 E CB -1.677 28.057 29.700 0.057 0.000 0.766 215 E HN 0.193 nan 8.360 nan 0.000 0.507 216 T N -0.786 113.851 114.554 0.139 0.000 3.060 216 T HA 0.359 4.710 4.350 0.001 0.000 0.249 216 T C 1.488 176.335 174.700 0.244 0.000 1.079 216 T CA 0.486 62.716 62.100 0.217 0.000 1.013 216 T CB 0.315 69.315 68.868 0.220 0.000 0.975 216 T HN 0.382 nan 8.240 nan 0.000 0.518 217 A N 0.788 123.717 122.820 0.182 0.000 2.055 217 A HA 0.215 4.536 4.320 0.001 0.000 0.205 217 A C 2.126 179.783 177.584 0.121 0.000 1.235 217 A CA 0.147 52.318 52.037 0.222 0.000 0.822 217 A CB -0.130 19.026 19.000 0.260 0.000 0.903 217 A HN 0.256 nan 8.150 nan 0.000 0.473 218 E N 0.906 121.137 120.200 0.053 0.000 2.035 218 E HA -0.207 4.144 4.350 0.001 0.000 0.204 218 E C -0.662 175.910 176.600 -0.047 0.000 1.025 218 E CA 2.394 58.792 56.400 -0.002 0.000 0.835 218 E CB -1.283 28.416 29.700 -0.003 0.000 0.764 218 E HN 0.348 nan 8.360 nan 0.000 0.457 219 P HA -0.168 nan 4.420 nan 0.000 0.217 219 P C 1.637 178.796 177.300 -0.236 0.000 1.151 219 P CA 1.485 64.464 63.100 -0.203 0.000 0.849 219 P CB -0.208 31.289 31.700 -0.339 0.000 0.787 220 I N -0.359 120.076 120.570 -0.226 0.000 2.068 220 I HA -0.246 3.925 4.170 0.001 0.000 0.238 220 I C -0.419 175.715 176.117 0.028 0.000 1.046 220 I CA 2.260 63.508 61.300 -0.087 0.000 1.306 220 I CB -2.297 35.795 38.000 0.153 0.000 1.023 220 I HN 0.011 nan 8.210 nan 0.000 0.399 221 P HA -0.203 nan 4.420 nan 0.000 0.218 221 P C 1.376 178.672 177.300 -0.007 0.000 1.152 221 P CA 1.775 64.921 63.100 0.077 0.000 0.857 221 P CB -0.127 31.583 31.700 0.015 0.000 0.787 222 R N -0.788 119.688 120.500 -0.040 0.000 2.056 222 R HA 0.025 4.366 4.340 0.001 0.000 0.227 222 R C 2.308 178.589 176.300 -0.033 0.000 1.149 222 R CA 1.154 57.224 56.100 -0.050 0.000 0.937 222 R CB -1.366 28.899 30.300 -0.058 0.000 0.835 222 R HN 0.197 nan 8.270 nan 0.000 0.430 223 L N 1.346 122.539 121.223 -0.050 0.000 2.549 223 L HA -0.077 4.264 4.340 0.001 0.000 0.230 223 L C 2.538 179.418 176.870 0.017 0.000 1.162 223 L CA 0.569 55.392 54.840 -0.029 0.000 0.834 223 L CB -0.583 41.430 42.059 -0.077 0.000 0.947 223 L HN 0.272 nan 8.230 nan 0.000 0.452 224 A N 0.402 123.244 122.820 0.037 0.000 1.881 224 A HA -0.346 3.974 4.320 0.001 0.000 0.219 224 A C 2.411 180.037 177.584 0.070 0.000 1.215 224 A CA 2.879 54.966 52.037 0.083 0.000 0.648 224 A CB -1.292 17.782 19.000 0.123 0.000 0.832 224 A HN 0.448 nan 8.150 nan 0.000 0.455 225 T N 0.315 114.900 114.554 0.052 0.000 2.755 225 T HA -0.246 4.105 4.350 0.001 0.000 0.266 225 T C 1.638 176.362 174.700 0.038 0.000 1.041 225 T CA 1.517 63.641 62.100 0.041 0.000 1.147 225 T CB -0.586 68.296 68.868 0.024 0.000 0.847 225 T HN 0.369 nan 8.240 nan 0.000 0.478 226 L N 0.146 121.394 121.223 0.041 0.000 2.351 226 L HA -0.090 4.251 4.340 0.001 0.000 0.220 226 L C 2.166 179.065 176.870 0.048 0.000 1.127 226 L CA 0.905 55.772 54.840 0.045 0.000 0.786 226 L CB -0.393 41.700 42.059 0.057 0.000 0.914 226 L HN 0.373 nan 8.230 nan 0.000 0.443 227 L N -1.082 120.172 121.223 0.051 0.000 2.156 227 L HA -0.171 4.170 4.340 0.001 0.000 0.208 227 L C 2.040 178.925 176.870 0.024 0.000 1.095 227 L CA 0.670 55.536 54.840 0.043 0.000 0.770 227 L CB -0.641 41.445 42.059 0.045 0.000 0.914 227 L HN 0.337 nan 8.230 nan 0.000 0.439 228 N N 0.322 119.034 118.700 0.019 0.000 2.503 228 N HA -0.181 4.560 4.740 0.001 0.000 0.189 228 N C 0.764 176.278 175.510 0.008 0.000 1.048 228 N CA 1.109 54.164 53.050 0.008 0.000 0.905 228 N CB -0.205 38.288 38.487 0.010 0.000 0.951 228 N HN 0.425 nan 8.380 nan 0.000 0.446 229 D N 0.442 120.851 120.400 0.015 0.000 2.340 229 D HA 0.137 4.778 4.640 0.001 0.000 0.220 229 D C 0.608 176.917 176.300 0.015 0.000 1.039 229 D CA 0.116 54.125 54.000 0.014 0.000 0.866 229 D CB 0.668 41.479 40.800 0.019 0.000 0.913 229 D HN 0.293 nan 8.370 nan 0.000 0.523 230 I N 1.785 122.365 120.570 0.015 0.000 2.396 230 I HA 0.179 4.349 4.170 0.001 0.000 0.292 230 I C -2.139 173.984 176.117 0.011 0.000 0.999 230 I CA -2.188 59.122 61.300 0.017 0.000 1.310 230 I CB 1.064 39.079 38.000 0.024 0.000 1.404 230 I HN -0.412 nan 8.210 nan 0.000 0.496 231 P HA -0.020 nan 4.420 nan 0.000 0.261 231 P C -2.078 175.229 177.300 0.012 0.000 1.173 231 P CA -0.566 62.541 63.100 0.011 0.000 0.760 231 P CB 0.017 31.727 31.700 0.017 0.000 0.783 232 P HA -0.216 nan 4.420 nan 0.000 0.219 232 P C 1.232 178.550 177.300 0.031 0.000 1.146 232 P CA 1.618 64.714 63.100 -0.006 0.000 0.808 232 P CB -0.174 31.503 31.700 -0.038 0.000 0.779 233 A N 0.003 122.839 122.820 0.026 0.000 1.917 233 A HA -0.248 4.073 4.320 0.001 0.000 0.219 233 A C 2.298 179.958 177.584 0.126 0.000 1.182 233 A CA 1.584 53.654 52.037 0.055 0.000 0.633 233 A CB -0.895 18.124 19.000 0.032 0.000 0.819 233 A HN 0.074 nan 8.150 nan 0.000 0.448 234 R N -0.908 119.645 120.500 0.088 0.000 2.062 234 R HA 0.099 4.440 4.340 0.001 0.000 0.226 234 R C 2.077 178.428 176.300 0.086 0.000 1.125 234 R CA 1.024 57.175 56.100 0.085 0.000 0.966 234 R CB -0.634 29.698 30.300 0.053 0.000 0.861 234 R HN 0.522 nan 8.270 nan 0.000 0.433 235 L N 0.381 121.644 121.223 0.066 0.000 2.351 235 L HA -0.208 4.133 4.340 0.001 0.000 0.220 235 L C 2.162 179.077 176.870 0.075 0.000 1.127 235 L CA 1.100 55.963 54.840 0.038 0.000 0.786 235 L CB -0.356 41.700 42.059 -0.006 0.000 0.914 235 L HN 0.149 nan 8.230 nan 0.000 0.443 236 F N 0.614 120.558 119.950 -0.010 0.000 2.059 236 F HA -0.151 4.377 4.527 0.002 0.000 0.289 236 F C 2.551 178.393 175.800 0.069 0.000 1.128 236 F CA 1.167 59.186 58.000 0.032 0.000 1.181 236 F CB 0.001 39.016 39.000 0.026 0.000 1.012 236 F HN -0.056 nan 8.300 nan 0.000 0.473 237 E N 0.647 120.873 120.200 0.045 0.000 2.082 237 E HA -0.296 4.054 4.350 0.001 0.000 0.215 237 E C 1.916 178.445 176.600 -0.119 0.000 1.048 237 E CA 1.898 58.264 56.400 -0.057 0.000 0.869 237 E CB -0.932 28.804 29.700 0.059 0.000 0.773 237 E HN 0.521 nan 8.360 nan 0.000 0.466 238 E N 0.299 120.471 120.200 -0.048 0.000 2.401 238 E HA -0.091 4.260 4.350 0.001 0.000 0.199 238 E C 2.026 178.599 176.600 -0.046 0.000 1.023 238 E CA 0.917 57.291 56.400 -0.044 0.000 0.859 238 E CB -0.107 29.586 29.700 -0.012 0.000 0.780 238 E HN 0.314 nan 8.360 nan 0.000 0.523 239 S N -0.465 115.195 115.700 -0.067 0.000 2.439 239 S HA 0.043 4.514 4.470 0.001 0.000 0.224 239 S C 2.088 176.682 174.600 -0.009 0.000 1.029 239 S CA 0.019 58.231 58.200 0.020 0.000 0.946 239 S CB -0.255 62.995 63.200 0.083 0.000 0.797 239 S HN 0.154 nan 8.310 nan 0.000 0.504 240 L N 1.074 122.194 121.223 -0.173 0.000 2.156 240 L HA 0.110 4.451 4.340 0.001 0.000 0.208 240 L C 2.494 179.301 176.870 -0.105 0.000 1.095 240 L CA 0.990 55.721 54.840 -0.183 0.000 0.770 240 L CB -0.379 41.493 42.059 -0.311 0.000 0.914 240 L HN 0.265 nan 8.230 nan 0.000 0.439 241 K N 0.112 120.455 120.400 -0.095 0.000 2.442 241 K HA -0.070 4.251 4.320 0.001 0.000 0.198 241 K C 1.816 178.385 176.600 -0.052 0.000 1.042 241 K CA 0.853 57.097 56.287 -0.071 0.000 0.958 241 K CB 0.052 32.504 32.500 -0.080 0.000 0.766 241 K HN 0.360 nan 8.250 nan 0.000 0.474 242 L N -0.183 121.025 121.223 -0.025 0.000 2.185 242 L HA -0.007 4.334 4.340 0.001 0.000 0.198 242 L C 2.134 179.027 176.870 0.038 0.000 1.079 242 L CA 0.590 55.436 54.840 0.011 0.000 0.780 242 L CB -0.288 41.805 42.059 0.057 0.000 0.955 242 L HN 0.058 nan 8.230 nan 0.000 0.462 243 L N -0.983 120.264 121.223 0.039 0.000 2.202 243 L HA -0.022 4.319 4.340 0.001 0.000 0.205 243 L C 2.409 179.254 176.870 -0.042 0.000 1.083 243 L CA 0.382 55.232 54.840 0.017 0.000 0.790 243 L CB -0.259 41.816 42.059 0.027 0.000 0.942 243 L HN 0.232 nan 8.230 nan 0.000 0.452 244 Q N 0.922 120.679 119.800 -0.071 0.000 1.858 244 Q HA -0.010 4.330 4.340 0.001 0.000 0.224 244 Q C 2.086 178.030 176.000 -0.093 0.000 0.980 244 Q CA 1.836 57.582 55.803 -0.095 0.000 0.868 244 Q CB -0.700 27.976 28.738 -0.103 0.000 0.920 244 Q HN 0.320 nan 8.270 nan 0.000 0.427 245 A N -0.616 122.159 122.820 -0.075 0.000 2.254 245 A HA -0.279 4.042 4.320 0.001 0.000 0.244 245 A C 1.468 178.960 177.584 -0.152 0.000 1.274 245 A CA 2.208 54.207 52.037 -0.063 0.000 0.836 245 A CB -1.752 17.251 19.000 0.006 0.000 0.831 245 A HN 1.144 nan 8.150 nan 0.000 0.486 246 G N -4.954 103.692 108.800 -0.258 0.000 2.176 246 G HA2 -0.269 3.692 3.960 0.001 0.000 0.232 246 G HA3 -0.269 3.692 3.960 0.001 0.000 0.232 246 G C 0.206 174.650 174.900 -0.761 0.000 0.986 246 G CA 0.647 45.386 45.100 -0.602 0.000 0.643 246 G HN 0.988 nan 8.290 nan 0.000 0.522 247 Y N -0.187 120.054 120.300 -0.098 0.000 2.779 247 Y HA 0.403 4.953 4.550 0.001 0.000 0.251 247 Y C 2.257 178.166 175.900 0.016 0.000 1.145 247 Y CA 0.070 58.160 58.100 -0.016 0.000 1.201 247 Y CB 0.289 38.751 38.460 0.002 0.000 1.281 247 Y HN 0.196 nan 8.280 nan 0.000 0.563 248 G N 0.029 108.888 108.800 0.098 0.000 2.517 248 G HA2 -0.381 3.580 3.960 0.001 0.000 0.222 248 G HA3 -0.381 3.580 3.960 0.001 0.000 0.222 248 G C 1.460 176.444 174.900 0.139 0.000 1.109 248 G CA 1.378 46.535 45.100 0.094 0.000 0.746 248 G HN 0.565 nan 8.290 nan 0.000 0.576 249 Y N 0.941 121.277 120.300 0.059 0.000 2.133 249 Y HA -0.069 4.482 4.550 0.002 0.000 0.287 249 Y C 2.903 178.884 175.900 0.134 0.000 1.134 249 Y CA 1.818 59.967 58.100 0.081 0.000 1.133 249 Y CB 0.110 38.602 38.460 0.053 0.000 0.987 249 Y HN 0.130 nan 8.280 nan 0.000 0.502 250 E N -0.227 119.997 120.200 0.040 0.000 2.077 250 E HA -0.168 4.183 4.350 0.001 0.000 0.193 250 E C 2.153 178.704 176.600 -0.082 0.000 0.989 250 E CA 1.865 58.224 56.400 -0.068 0.000 0.800 250 E CB -0.734 29.014 29.700 0.079 0.000 0.746 250 E HN 0.489 nan 8.360 nan 0.000 0.452 251 T N 0.603 115.163 114.554 0.010 0.000 2.929 251 T HA -0.168 4.183 4.350 0.001 0.000 0.271 251 T C 1.598 176.318 174.700 0.033 0.000 1.085 251 T CA 1.120 63.226 62.100 0.009 0.000 1.125 251 T CB -0.302 68.595 68.868 0.049 0.000 0.874 251 T HN 0.258 nan 8.240 nan 0.000 0.494 252 Y N 1.430 121.655 120.300 -0.125 0.000 2.365 252 Y HA 0.208 4.759 4.550 0.001 0.000 0.293 252 Y C 2.146 177.903 175.900 -0.238 0.000 1.119 252 Y CA 0.678 58.694 58.100 -0.140 0.000 1.203 252 Y CB -0.040 38.319 38.460 -0.167 0.000 1.026 252 Y HN -0.045 nan 8.280 nan 0.000 0.549 253 K N 0.094 120.280 120.400 -0.358 0.000 2.097 253 K HA -0.135 4.186 4.320 0.001 0.000 0.206 253 K C 1.902 178.325 176.600 -0.295 0.000 1.049 253 K CA 1.679 57.711 56.287 -0.424 0.000 0.933 253 K CB -0.159 32.118 32.500 -0.370 0.000 0.717 253 K HN 0.377 nan 8.250 nan 0.000 0.442 254 L N 0.386 121.496 121.223 -0.189 0.000 2.102 254 L HA -0.085 4.256 4.340 0.001 0.000 0.202 254 L C 2.200 179.026 176.870 -0.074 0.000 1.076 254 L CA 0.643 55.421 54.840 -0.104 0.000 0.761 254 L CB -0.332 41.630 42.059 -0.162 0.000 0.921 254 L HN 0.168 nan 8.230 nan 0.000 0.444 255 L N -0.866 120.312 121.223 -0.074 0.000 2.349 255 L HA -0.278 4.063 4.340 0.001 0.000 0.220 255 L C 2.429 179.318 176.870 0.032 0.000 1.130 255 L CA 0.788 55.657 54.840 0.049 0.000 0.791 255 L CB -0.414 41.771 42.059 0.211 0.000 0.918 255 L HN 0.470 nan 8.230 nan 0.000 0.444 256 C N -0.904 118.258 119.300 -0.229 0.000 2.518 256 C HA -0.064 4.397 4.460 0.001 0.000 0.283 256 C C 2.458 177.242 174.990 -0.344 0.000 1.351 256 C CA -0.016 58.778 59.018 -0.373 0.000 1.745 256 C CB -0.156 27.114 27.740 -0.783 0.000 2.107 256 C HN 0.460 nan 8.230 nan 0.000 0.502 257 E N -1.114 118.949 120.200 -0.228 0.000 2.512 257 E HA -0.064 4.286 4.350 0.001 0.000 0.195 257 E C -0.129 176.364 176.600 -0.179 0.000 1.083 257 E CA 0.705 56.979 56.400 -0.209 0.000 0.873 257 E CB 0.077 29.731 29.700 -0.077 0.000 0.897 257 E HN 0.821 nan 8.360 nan 0.000 0.514 258 Y N -1.305 118.833 120.300 -0.271 0.000 2.768 258 Y HA 0.124 4.675 4.550 0.001 0.000 0.249 258 Y C -0.440 175.483 175.900 0.037 0.000 1.146 258 Y CA -0.540 57.518 58.100 -0.071 0.000 1.171 258 Y CB 0.319 38.782 38.460 0.004 0.000 1.249 258 Y HN 0.172 nan 8.280 nan 0.000 0.567 259 H N -1.172 117.978 119.070 0.134 0.000 2.684 259 H HA -0.251 4.306 4.556 0.002 0.000 0.309 259 H C 0.944 176.379 175.328 0.179 0.000 1.102 259 H CA 1.159 57.287 56.048 0.133 0.000 1.147 259 H CB -1.719 28.090 29.762 0.080 0.000 1.391 259 H HN 0.499 nan 8.280 nan 0.000 0.398 260 L N -1.358 120.021 121.223 0.259 0.000 2.592 260 L HA 0.058 4.399 4.340 0.001 0.000 0.227 260 L C 1.944 178.976 176.870 0.271 0.000 1.127 260 L CA 0.121 55.099 54.840 0.231 0.000 0.884 260 L CB -0.072 42.099 42.059 0.185 0.000 1.065 260 L HN 0.307 nan 8.230 nan 0.000 0.457 261 F N 0.545 120.597 119.950 0.170 0.000 2.219 261 F HA -0.158 4.370 4.527 0.002 0.000 0.294 261 F C 2.516 178.504 175.800 0.313 0.000 1.086 261 F CA 1.297 59.459 58.000 0.270 0.000 1.330 261 F CB 0.125 39.249 39.000 0.206 0.000 1.047 261 F HN 0.030 nan 8.300 nan 0.000 0.495 262 Q N 1.181 121.230 119.800 0.414 0.000 2.012 262 Q HA -0.227 4.114 4.340 0.001 0.000 0.211 262 Q C -0.744 175.340 176.000 0.139 0.000 1.009 262 Q CA 3.140 59.123 55.803 0.300 0.000 0.866 262 Q CB -1.698 27.204 28.738 0.273 0.000 0.945 262 Q HN 0.207 nan 8.270 nan 0.000 0.414 263 P HA -0.185 nan 4.420 nan 0.000 0.216 263 P C 0.988 178.258 177.300 -0.050 0.000 1.154 263 P CA 1.527 64.649 63.100 0.037 0.000 0.865 263 P CB -0.101 31.630 31.700 0.052 0.000 0.789 264 L N -3.159 117.990 121.223 -0.123 0.000 2.049 264 L HA -0.015 4.326 4.340 0.001 0.000 0.203 264 L C 0.929 177.425 176.870 -0.624 0.000 1.074 264 L CA 1.047 55.654 54.840 -0.388 0.000 0.749 264 L CB -0.558 41.227 42.059 -0.456 0.000 0.907 264 L HN -0.128 nan 8.230 nan 0.000 0.439 265 F N -0.574 119.181 119.950 -0.324 0.000 2.434 265 F HA 0.296 4.824 4.527 0.002 0.000 0.316 265 F C -1.733 174.010 175.800 -0.095 0.000 1.222 265 F CA -1.884 55.948 58.000 -0.281 0.000 1.207 265 F CB 0.041 38.632 39.000 -0.681 0.000 1.466 265 F HN -0.162 nan 8.300 nan 0.000 0.545 266 P HA -0.151 nan 4.420 nan 0.000 0.213 266 P C 1.739 179.143 177.300 0.173 0.000 1.170 266 P CA 1.896 65.076 63.100 0.133 0.000 0.898 266 P CB 0.035 31.788 31.700 0.088 0.000 0.787 267 T N -0.731 113.944 114.554 0.200 0.000 2.837 267 T HA -0.196 4.155 4.350 0.001 0.000 0.266 267 T C 1.620 176.434 174.700 0.190 0.000 1.077 267 T CA 1.200 63.446 62.100 0.244 0.000 1.133 267 T CB -0.824 68.259 68.868 0.359 0.000 0.830 267 T HN 0.125 nan 8.240 nan 0.000 0.512 268 I N -0.236 120.396 120.570 0.104 0.000 2.685 268 I HA -0.047 4.124 4.170 0.001 0.000 0.251 268 I C 2.658 178.670 176.117 -0.175 0.000 1.102 268 I CA 0.562 61.826 61.300 -0.059 0.000 1.442 268 I CB -0.639 37.315 38.000 -0.076 0.000 1.194 268 I HN 0.106 nan 8.210 nan 0.000 0.448 269 T N 1.167 115.752 114.554 0.052 0.000 2.594 269 T HA -0.346 4.005 4.350 0.001 0.000 0.266 269 T C 1.971 176.665 174.700 -0.009 0.000 1.070 269 T CA 2.271 64.451 62.100 0.132 0.000 1.166 269 T CB -0.495 68.605 68.868 0.387 0.000 0.862 269 T HN 0.266 nan 8.240 nan 0.000 0.436 270 R N -0.259 120.287 120.500 0.075 0.000 2.178 270 R HA -0.204 4.137 4.340 0.001 0.000 0.257 270 R C 1.598 177.793 176.300 -0.175 0.000 1.163 270 R CA 1.968 58.059 56.100 -0.015 0.000 0.981 270 R CB -0.391 29.916 30.300 0.012 0.000 0.878 270 R HN 0.583 nan 8.270 nan 0.000 0.454 271 Y N -1.215 118.973 120.300 -0.187 0.000 2.457 271 Y HA 0.164 4.715 4.550 0.001 0.000 0.263 271 Y C 0.009 175.848 175.900 -0.101 0.000 1.164 271 Y CA -1.048 56.962 58.100 -0.148 0.000 1.274 271 Y CB 0.312 38.679 38.460 -0.154 0.000 1.097 271 Y HN -0.131 nan 8.280 nan 0.000 0.523 272 F N 1.087 121.118 119.950 0.135 0.000 2.553 272 F HA 0.140 4.668 4.527 0.001 0.000 0.356 272 F C 1.044 176.861 175.800 0.029 0.000 1.142 272 F CA -0.694 57.348 58.000 0.069 0.000 1.322 272 F CB 0.369 39.394 39.000 0.041 0.000 1.126 272 F HN -0.181 nan 8.300 nan 0.000 0.599 273 T N -0.967 113.721 114.554 0.223 0.000 2.770 273 T HA 0.289 4.640 4.350 0.001 0.000 0.283 273 T C 0.689 175.432 174.700 0.072 0.000 0.988 273 T CA -0.784 61.379 62.100 0.104 0.000 0.957 273 T CB 1.007 69.912 68.868 0.061 0.000 0.930 273 T HN 0.684 nan 8.240 nan 0.000 0.443 274 E N 2.398 122.625 120.200 0.045 0.000 2.253 274 E HA -0.321 4.030 4.350 0.001 0.000 0.202 274 E C 1.881 178.482 176.600 0.002 0.000 1.014 274 E CA 1.352 57.760 56.400 0.014 0.000 0.823 274 E CB -0.138 29.566 29.700 0.007 0.000 0.736 274 E HN 0.853 nan 8.360 nan 0.000 0.478 275 N N -0.187 118.520 118.700 0.010 0.000 2.005 275 N HA -0.246 4.495 4.740 0.001 0.000 0.199 275 N C 1.478 176.988 175.510 -0.000 0.000 1.054 275 N CA 1.972 55.025 53.050 0.004 0.000 0.864 275 N CB -0.043 38.449 38.487 0.008 0.000 1.063 275 N HN 0.253 nan 8.380 nan 0.000 0.428 276 G N -0.786 108.020 108.800 0.010 0.000 2.229 276 G HA2 -0.140 3.820 3.960 0.001 0.000 0.189 276 G HA3 -0.140 3.820 3.960 0.001 0.000 0.189 276 G C 0.030 174.942 174.900 0.019 0.000 1.000 276 G CA 0.291 45.392 45.100 0.003 0.000 0.663 276 G HN 0.477 nan 8.290 nan 0.000 0.493 277 D N 0.991 121.401 120.400 0.017 0.000 2.501 277 D HA 0.326 4.967 4.640 0.001 0.000 0.226 277 D C 1.057 177.357 176.300 0.000 0.000 1.198 277 D CA 0.607 54.614 54.000 0.012 0.000 0.830 277 D CB 0.635 41.437 40.800 0.003 0.000 1.014 277 D HN 0.329 nan 8.370 nan 0.000 0.496 278 S N 1.509 117.216 115.700 0.011 0.000 2.558 278 S HA 0.009 4.480 4.470 0.001 0.000 0.287 278 S C -1.107 173.443 174.600 -0.084 0.000 1.321 278 S CA -0.719 57.464 58.200 -0.028 0.000 1.048 278 S CB 1.136 64.346 63.200 0.016 0.000 0.844 278 S HN 0.054 nan 8.310 nan 0.000 0.512 279 P HA -0.110 nan 4.420 nan 0.000 0.223 279 P C 1.610 178.695 177.300 -0.357 0.000 1.151 279 P CA 0.810 63.734 63.100 -0.293 0.000 0.787 279 P CB -0.005 31.426 31.700 -0.449 0.000 0.788 280 M N 0.520 119.886 119.600 -0.390 0.000 2.123 280 M HA -0.117 4.364 4.480 0.001 0.000 0.263 280 M C 1.925 178.272 176.300 0.078 0.000 1.069 280 M CA 1.845 57.114 55.300 -0.052 0.000 1.133 280 M CB -0.720 31.873 32.600 -0.012 0.000 1.356 280 M HN -0.121 nan 8.290 nan 0.000 0.415 281 E N 0.032 120.280 120.200 0.080 0.000 2.070 281 E HA -0.258 4.093 4.350 0.001 0.000 0.197 281 E C 1.970 178.628 176.600 0.098 0.000 1.004 281 E CA 1.772 58.268 56.400 0.160 0.000 0.805 281 E CB -0.151 29.657 29.700 0.180 0.000 0.744 281 E HN 0.531 nan 8.360 nan 0.000 0.451 282 R N 0.427 120.962 120.500 0.058 0.000 2.081 282 R HA -0.100 4.240 4.340 0.001 0.000 0.235 282 R C 2.446 178.774 176.300 0.046 0.000 1.131 282 R CA 0.900 57.028 56.100 0.047 0.000 0.960 282 R CB -0.331 29.986 30.300 0.028 0.000 0.856 282 R HN 0.167 nan 8.270 nan 0.000 0.436 283 I N 1.152 121.775 120.570 0.089 0.000 2.118 283 I HA -0.301 3.870 4.170 0.001 0.000 0.241 283 I C 2.093 178.210 176.117 0.001 0.000 1.070 283 I CA 1.857 63.221 61.300 0.107 0.000 1.327 283 I CB -0.446 37.736 38.000 0.304 0.000 1.034 283 I HN 0.193 nan 8.210 nan 0.000 0.405 284 I N 0.091 120.640 120.570 -0.035 0.000 2.315 284 I HA -0.276 3.895 4.170 0.001 0.000 0.248 284 I C 2.400 178.366 176.117 -0.250 0.000 1.117 284 I CA 1.106 62.291 61.300 -0.191 0.000 1.404 284 I CB -0.529 37.290 38.000 -0.302 0.000 1.071 284 I HN 0.258 nan 8.210 nan 0.000 0.419 285 E N 0.578 120.699 120.200 -0.132 0.000 2.031 285 E HA -0.296 4.055 4.350 0.001 0.000 0.193 285 E C 2.166 178.757 176.600 -0.016 0.000 0.994 285 E CA 1.448 57.851 56.400 0.005 0.000 0.800 285 E CB -0.141 29.649 29.700 0.150 0.000 0.752 285 E HN 0.347 nan 8.360 nan 0.000 0.447 286 Q N 1.005 120.780 119.800 -0.041 0.000 2.002 286 Q HA -0.144 4.197 4.340 0.001 0.000 0.204 286 Q C 2.150 178.112 176.000 -0.063 0.000 0.988 286 Q CA 1.367 57.135 55.803 -0.059 0.000 0.843 286 Q CB -0.676 28.041 28.738 -0.036 0.000 0.908 286 Q HN 0.186 nan 8.270 nan 0.000 0.420 287 V N -0.029 119.837 119.914 -0.080 0.000 2.660 287 V HA -0.220 3.901 4.120 0.001 0.000 0.257 287 V C 1.854 177.893 176.094 -0.090 0.000 1.088 287 V CA 1.686 63.924 62.300 -0.105 0.000 1.106 287 V CB -0.232 31.473 31.823 -0.198 0.000 0.686 287 V HN 0.435 nan 8.190 nan 0.000 0.481 288 L N -1.071 120.103 121.223 -0.082 0.000 2.202 288 L HA -0.004 4.337 4.340 0.001 0.000 0.205 288 L C 2.583 179.454 176.870 0.001 0.000 1.083 288 L CA 1.074 55.889 54.840 -0.041 0.000 0.790 288 L CB -0.410 41.633 42.059 -0.026 0.000 0.942 288 L HN 0.218 nan 8.230 nan 0.000 0.452 289 K N 0.393 120.779 120.400 -0.024 0.000 2.026 289 K HA -0.143 4.178 4.320 0.001 0.000 0.208 289 K C 1.717 178.287 176.600 -0.049 0.000 1.048 289 K CA 1.707 57.952 56.287 -0.071 0.000 0.929 289 K CB -0.289 32.102 32.500 -0.182 0.000 0.713 289 K HN 0.402 nan 8.250 nan 0.000 0.439 290 N N 0.056 118.731 118.700 -0.041 0.000 2.106 290 N HA -0.122 4.618 4.740 0.001 0.000 0.188 290 N C 1.713 177.212 175.510 -0.018 0.000 1.029 290 N CA 1.256 54.293 53.050 -0.020 0.000 0.848 290 N CB -0.096 38.393 38.487 0.003 0.000 1.007 290 N HN 0.049 nan 8.380 nan 0.000 0.423 291 T N 0.599 115.142 114.554 -0.018 0.000 2.929 291 T HA -0.099 4.252 4.350 0.001 0.000 0.271 291 T C 0.920 175.569 174.700 -0.085 0.000 1.085 291 T CA 1.048 63.130 62.100 -0.031 0.000 1.125 291 T CB -0.182 68.663 68.868 -0.037 0.000 0.874 291 T HN 0.181 nan 8.240 nan 0.000 0.494 292 D N 0.352 120.697 120.400 -0.091 0.000 2.123 292 D HA -0.019 4.621 4.640 0.001 0.000 0.200 292 D C 2.345 178.547 176.300 -0.163 0.000 0.976 292 D CA 1.037 54.936 54.000 -0.169 0.000 0.831 292 D CB -0.380 40.365 40.800 -0.090 0.000 0.974 292 D HN 0.301 nan 8.370 nan 0.000 0.469 293 T N 0.949 115.469 114.554 -0.055 0.000 2.674 293 T HA -0.122 4.229 4.350 0.001 0.000 0.265 293 T C 1.960 176.652 174.700 -0.014 0.000 1.039 293 T CA 0.882 62.981 62.100 -0.001 0.000 1.150 293 T CB -0.029 68.837 68.868 -0.003 0.000 0.864 293 T HN 0.124 nan 8.240 nan 0.000 0.427 294 R N 0.636 121.113 120.500 -0.039 0.000 2.122 294 R HA -0.122 4.219 4.340 0.001 0.000 0.236 294 R C 2.401 178.667 176.300 -0.056 0.000 1.129 294 R CA 1.679 57.755 56.100 -0.041 0.000 0.925 294 R CB -0.809 29.464 30.300 -0.045 0.000 0.850 294 R HN 0.346 nan 8.270 nan 0.000 0.431 295 I N 0.378 120.879 120.570 -0.115 0.000 2.399 295 I HA -0.247 3.923 4.170 0.001 0.000 0.254 295 I C 2.099 178.143 176.117 -0.120 0.000 1.146 295 I CA 1.597 62.806 61.300 -0.153 0.000 1.412 295 I CB -1.479 36.367 38.000 -0.256 0.000 1.076 295 I HN 0.221 nan 8.210 nan 0.000 0.432 296 H N 0.989 119.993 119.070 -0.110 0.000 2.482 296 H HA 0.094 4.651 4.556 0.002 0.000 0.286 296 H C 0.909 176.199 175.328 -0.064 0.000 1.017 296 H CA 0.630 56.616 56.048 -0.103 0.000 1.322 296 H CB 0.032 29.727 29.762 -0.112 0.000 1.426 296 H HN 0.302 nan 8.280 nan 0.000 0.546 297 N N 1.131 119.871 118.700 0.067 0.000 2.376 297 N HA 0.005 4.745 4.740 0.001 0.000 0.249 297 N C -0.132 175.383 175.510 0.008 0.000 1.140 297 N CA -0.007 53.059 53.050 0.027 0.000 0.870 297 N CB 0.227 38.723 38.487 0.014 0.000 1.124 297 N HN 0.146 nan 8.380 nan 0.000 0.505 298 D N -0.358 120.046 120.400 0.008 0.000 3.028 298 D HA -0.227 4.414 4.640 0.001 0.000 0.211 298 D C -0.257 176.033 176.300 -0.017 0.000 1.136 298 D CA 0.891 54.888 54.000 -0.005 0.000 0.987 298 D CB -0.608 40.191 40.800 -0.001 0.000 1.128 298 D HN 0.417 nan 8.370 nan 0.000 0.406 299 M N 1.715 121.302 119.600 -0.022 0.000 2.307 299 M HA 0.021 4.502 4.480 0.001 0.000 0.346 299 M C 1.007 177.285 176.300 -0.036 0.000 1.552 299 M CA 0.272 55.555 55.300 -0.029 0.000 1.116 299 M CB 0.525 33.106 32.600 -0.031 0.000 1.889 299 M HN -0.018 nan 8.290 nan 0.000 0.460 300 R N 2.180 122.660 120.500 -0.033 0.000 2.619 300 R HA 0.237 4.578 4.340 0.001 0.000 0.268 300 R C -0.870 175.404 176.300 -0.043 0.000 0.990 300 R CA -0.232 55.847 56.100 -0.034 0.000 1.092 300 R CB 0.297 30.580 30.300 -0.028 0.000 0.935 300 R HN 0.541 nan 8.270 nan 0.000 0.415 301 V N 1.970 121.859 119.914 -0.041 0.000 2.960 301 V HA 0.298 4.419 4.120 0.001 0.000 0.315 301 V C -0.850 175.227 176.094 -0.028 0.000 1.087 301 V CA -1.148 61.128 62.300 -0.040 0.000 0.982 301 V CB 2.240 34.041 31.823 -0.036 0.000 1.039 301 V HN 0.923 nan 8.190 nan 0.000 0.437 302 N N 4.358 123.049 118.700 -0.014 0.000 2.434 302 N HA 0.441 5.182 4.740 0.001 0.000 0.272 302 N C -2.084 173.441 175.510 0.024 0.000 1.040 302 N CA -1.478 51.579 53.050 0.012 0.000 0.956 302 N CB 2.274 40.767 38.487 0.010 0.000 1.108 302 N HN 0.454 nan 8.380 nan 0.000 0.481 303 P HA 0.110 nan 4.420 nan 0.000 0.222 303 P C 0.668 177.912 177.300 -0.095 0.000 1.157 303 P CA 0.480 63.533 63.100 -0.079 0.000 0.816 303 P CB 0.352 32.063 31.700 0.019 0.000 0.813 304 A N -0.930 121.912 122.820 0.037 0.000 2.014 304 A HA -0.115 4.206 4.320 0.001 0.000 0.218 304 A C 1.982 179.587 177.584 0.036 0.000 1.163 304 A CA 0.810 52.889 52.037 0.070 0.000 0.652 304 A CB -1.687 17.340 19.000 0.045 0.000 0.808 304 A HN 0.090 nan 8.150 nan 0.000 0.449 305 F N 0.448 120.321 119.950 -0.129 0.000 2.102 305 F HA -0.137 4.391 4.527 0.001 0.000 0.298 305 F C 1.800 177.524 175.800 -0.126 0.000 1.105 305 F CA 1.504 59.418 58.000 -0.144 0.000 1.239 305 F CB -0.630 38.289 39.000 -0.135 0.000 0.991 305 F HN 0.199 nan 8.300 nan 0.000 0.474 306 L N -0.122 120.975 121.223 -0.209 0.000 1.997 306 L HA -0.284 4.057 4.340 0.001 0.000 0.216 306 L C 2.299 179.043 176.870 -0.209 0.000 1.074 306 L CA 2.128 56.755 54.840 -0.354 0.000 0.763 306 L CB -1.300 40.505 42.059 -0.423 0.000 0.890 306 L HN 0.121 nan 8.230 nan 0.000 0.434 307 F N -0.094 119.899 119.950 0.071 0.000 2.102 307 F HA -0.079 4.449 4.527 0.002 0.000 0.298 307 F C 2.570 178.524 175.800 0.256 0.000 1.105 307 F CA 1.003 59.166 58.000 0.273 0.000 1.239 307 F CB -1.659 37.500 39.000 0.265 0.000 0.991 307 F HN 0.184 nan 8.300 nan 0.000 0.474 308 A N -0.347 122.537 122.820 0.107 0.000 2.186 308 A HA 0.051 4.372 4.320 0.001 0.000 0.219 308 A C 2.277 179.988 177.584 0.212 0.000 1.159 308 A CA 1.555 53.532 52.037 -0.100 0.000 0.680 308 A CB -1.041 17.571 19.000 -0.646 0.000 0.787 308 A HN 0.321 nan 8.150 nan 0.000 0.467 309 A N -1.035 121.773 122.820 -0.021 0.000 1.901 309 A HA 0.231 4.551 4.320 0.001 0.000 0.210 309 A C 2.115 179.739 177.584 0.067 0.000 1.208 309 A CA 1.159 53.113 52.037 -0.139 0.000 0.644 309 A CB -0.340 18.358 19.000 -0.504 0.000 0.863 309 A HN 0.434 nan 8.150 nan 0.000 0.454 310 M N -1.306 118.347 119.600 0.088 0.000 2.064 310 M HA -0.007 4.474 4.480 0.001 0.000 0.260 310 M C 1.364 177.688 176.300 0.041 0.000 1.073 310 M CA 1.570 56.874 55.300 0.006 0.000 1.124 310 M CB -0.395 32.137 32.600 -0.113 0.000 1.326 310 M HN 0.411 nan 8.290 nan 0.000 0.410 311 F N -0.730 119.388 119.950 0.281 0.000 2.805 311 F HA -0.158 4.370 4.527 0.001 0.000 0.301 311 F C 1.814 177.710 175.800 0.160 0.000 1.196 311 F CA 0.419 58.564 58.000 0.242 0.000 1.439 311 F CB -0.658 38.574 39.000 0.388 0.000 1.117 311 F HN 0.410 nan 8.300 nan 0.000 0.581 312 W N -0.027 121.355 121.300 0.137 0.000 2.352 312 W HA -0.321 4.340 4.660 0.001 0.000 0.322 312 W C 1.602 177.884 176.519 -0.395 0.000 1.208 312 W CA 1.806 59.060 57.345 -0.152 0.000 1.286 312 W CB -0.816 28.496 29.460 -0.248 0.000 1.167 312 W HN 0.080 nan 8.180 nan 0.000 0.469 313 Y N 0.598 120.715 120.300 -0.306 0.000 2.181 313 Y HA -0.129 4.422 4.550 0.001 0.000 0.288 313 Y C -0.412 175.136 175.900 -0.587 0.000 1.146 313 Y CA 1.703 59.498 58.100 -0.509 0.000 1.164 313 Y CB -2.342 35.975 38.460 -0.238 0.000 0.982 313 Y HN -0.014 nan 8.280 nan 0.000 0.515 314 P HA -0.164 nan 4.420 nan 0.000 0.218 314 P C 1.748 178.715 177.300 -0.556 0.000 1.149 314 P CA 1.139 63.788 63.100 -0.752 0.000 0.817 314 P CB -0.021 31.299 31.700 -0.632 0.000 0.785 315 L N -0.871 120.005 121.223 -0.577 0.000 2.044 315 L HA -0.061 4.280 4.340 0.001 0.000 0.205 315 L C 1.970 178.324 176.870 -0.860 0.000 1.075 315 L CA 1.766 56.153 54.840 -0.755 0.000 0.747 315 L CB -1.605 39.788 42.059 -1.111 0.000 0.903 315 L HN -0.134 nan 8.230 nan 0.000 0.435 316 L N -0.199 120.425 121.223 -1.000 0.000 2.265 316 L HA -0.161 4.179 4.340 0.001 0.000 0.215 316 L C 2.362 178.955 176.870 -0.462 0.000 1.117 316 L CA 1.742 56.068 54.840 -0.857 0.000 0.782 316 L CB -0.787 40.679 42.059 -0.988 0.000 0.914 316 L HN 0.486 nan 8.230 nan 0.000 0.441 317 E N -1.376 118.595 120.200 -0.383 0.000 2.051 317 E HA -0.116 4.235 4.350 0.001 0.000 0.189 317 E C 1.960 178.472 176.600 -0.148 0.000 0.979 317 E CA 1.505 57.794 56.400 -0.184 0.000 0.803 317 E CB -0.138 29.517 29.700 -0.074 0.000 0.761 317 E HN 0.361 nan 8.360 nan 0.000 0.451 318 T N 0.343 114.777 114.554 -0.201 0.000 3.007 318 T HA 0.012 4.363 4.350 0.001 0.000 0.270 318 T C 1.482 176.074 174.700 -0.179 0.000 1.107 318 T CA 0.770 62.781 62.100 -0.148 0.000 1.118 318 T CB -0.147 68.625 68.868 -0.160 0.000 0.889 318 T HN 0.288 nan 8.240 nan 0.000 0.506 319 A N 1.595 124.256 122.820 -0.264 0.000 1.835 319 A HA -0.081 4.240 4.320 0.001 0.000 0.213 319 A C 2.242 179.766 177.584 -0.101 0.000 1.210 319 A CA 1.439 53.362 52.037 -0.189 0.000 0.605 319 A CB -0.823 18.014 19.000 -0.273 0.000 0.860 319 A HN 0.506 nan 8.150 nan 0.000 0.447 320 Q N -0.285 119.421 119.800 -0.158 0.000 2.181 320 Q HA -0.258 4.083 4.340 0.001 0.000 0.205 320 Q C 2.085 178.021 176.000 -0.107 0.000 0.980 320 Q CA 2.065 57.765 55.803 -0.171 0.000 0.862 320 Q CB -0.150 28.488 28.738 -0.167 0.000 0.905 320 Q HN 0.540 nan 8.270 nan 0.000 0.429 321 K N 0.939 121.290 120.400 -0.082 0.000 2.025 321 K HA -0.134 4.187 4.320 0.001 0.000 0.207 321 K C 1.856 178.431 176.600 -0.041 0.000 1.049 321 K CA 1.504 57.760 56.287 -0.052 0.000 0.933 321 K CB -0.320 32.158 32.500 -0.036 0.000 0.714 321 K HN 0.423 nan 8.250 nan 0.000 0.438 322 I N 1.183 121.730 120.570 -0.039 0.000 2.830 322 I HA -0.161 4.010 4.170 0.001 0.000 0.263 322 I C 2.317 178.430 176.117 -0.006 0.000 1.230 322 I CA 0.498 61.786 61.300 -0.019 0.000 1.480 322 I CB -0.159 37.832 38.000 -0.015 0.000 1.095 322 I HN 0.200 nan 8.210 nan 0.000 0.455 323 A N 1.396 124.205 122.820 -0.019 0.000 1.832 323 A HA -0.238 4.083 4.320 0.001 0.000 0.214 323 A C 2.286 179.857 177.584 -0.022 0.000 1.200 323 A CA 1.625 53.653 52.037 -0.016 0.000 0.610 323 A CB -0.733 18.217 19.000 -0.083 0.000 0.842 323 A HN 0.541 nan 8.150 nan 0.000 0.444 324 Q N -0.640 119.136 119.800 -0.040 0.000 2.119 324 Q HA -0.143 4.197 4.340 0.001 0.000 0.201 324 Q C 1.696 177.684 176.000 -0.019 0.000 0.972 324 Q CA 1.497 57.281 55.803 -0.031 0.000 0.847 324 Q CB -0.435 28.279 28.738 -0.040 0.000 0.903 324 Q HN 0.792 nan 8.270 nan 0.000 0.433 325 E N 0.685 120.873 120.200 -0.019 0.000 2.511 325 E HA -0.040 4.311 4.350 0.001 0.000 0.196 325 E C 0.233 176.830 176.600 -0.006 0.000 1.066 325 E CA 0.420 56.812 56.400 -0.013 0.000 0.871 325 E CB 0.339 30.030 29.700 -0.015 0.000 0.863 325 E HN 0.251 nan 8.360 nan 0.000 0.520 326 S N -0.943 114.757 115.700 -0.001 0.000 2.968 326 S HA 0.202 4.673 4.470 0.001 0.000 0.243 326 S C 0.518 175.126 174.600 0.013 0.000 0.799 326 S CA 0.274 58.478 58.200 0.006 0.000 1.101 326 S CB 0.264 63.470 63.200 0.009 0.000 1.313 326 S HN 0.374 nan 8.310 nan 0.000 0.521 327 G N 2.274 111.080 108.800 0.010 0.000 2.374 327 G HA2 -0.250 3.711 3.960 0.001 0.000 0.296 327 G HA3 -0.250 3.711 3.960 0.001 0.000 0.296 327 G C 0.155 175.072 174.900 0.029 0.000 0.801 327 G CA 1.222 46.331 45.100 0.015 0.000 0.926 327 G HN 0.616 nan 8.290 nan 0.000 0.488 328 L N -0.438 120.809 121.223 0.040 0.000 2.448 328 L HA 0.548 4.889 4.340 0.001 0.000 0.258 328 L C 1.445 178.367 176.870 0.086 0.000 1.104 328 L CA -0.539 54.336 54.840 0.059 0.000 0.800 328 L CB 0.872 42.969 42.059 0.062 0.000 1.241 328 L HN 0.293 nan 8.230 nan 0.000 0.472 329 T N -1.886 112.730 114.554 0.105 0.000 2.907 329 T HA 0.020 4.371 4.350 0.001 0.000 0.298 329 T C 0.785 175.618 174.700 0.222 0.000 1.017 329 T CA -0.288 61.898 62.100 0.142 0.000 1.118 329 T CB 0.671 69.615 68.868 0.126 0.000 0.948 329 T HN 0.458 nan 8.240 nan 0.000 0.531 330 Y N 2.368 122.719 120.300 0.085 0.000 2.081 330 Y HA -0.276 4.274 4.550 0.001 0.000 0.280 330 Y C 2.577 178.554 175.900 0.128 0.000 1.163 330 Y CA 2.139 60.299 58.100 0.100 0.000 1.135 330 Y CB -1.027 37.494 38.460 0.101 0.000 0.970 330 Y HN 0.994 nan 8.280 nan 0.000 0.498 331 H N -0.155 118.907 119.070 -0.013 0.000 2.426 331 H HA -0.153 4.403 4.556 0.001 0.000 0.298 331 H C 1.126 176.436 175.328 -0.031 0.000 1.107 331 H CA 1.980 57.938 56.048 -0.150 0.000 1.298 331 H CB -0.026 29.669 29.762 -0.112 0.000 1.377 331 H HN 0.442 nan 8.280 nan 0.000 0.519 332 D N -0.269 120.177 120.400 0.077 0.000 2.271 332 D HA 0.055 4.696 4.640 0.001 0.000 0.206 332 D C 2.171 178.509 176.300 0.063 0.000 0.967 332 D CA 0.766 54.800 54.000 0.057 0.000 0.867 332 D CB -0.008 40.857 40.800 0.108 0.000 0.960 332 D HN 0.441 nan 8.370 nan 0.000 0.509 333 A N 0.716 123.612 122.820 0.127 0.000 1.873 333 A HA -0.121 4.200 4.320 0.001 0.000 0.215 333 A C 2.055 179.722 177.584 0.139 0.000 1.186 333 A CA 0.731 52.851 52.037 0.139 0.000 0.616 333 A CB -1.024 18.097 19.000 0.201 0.000 0.823 333 A HN 0.251 nan 8.150 nan 0.000 0.442 334 F N 0.878 120.814 119.950 -0.023 0.000 2.102 334 F HA -0.125 4.403 4.527 0.001 0.000 0.298 334 F C 2.550 178.251 175.800 -0.165 0.000 1.105 334 F CA 1.303 59.231 58.000 -0.121 0.000 1.239 334 F CB -0.103 38.710 39.000 -0.310 0.000 0.991 334 F HN 0.273 nan 8.300 nan 0.000 0.474 335 A N 0.150 123.063 122.820 0.155 0.000 2.024 335 A HA -0.200 4.121 4.320 0.001 0.000 0.220 335 A C 1.977 179.601 177.584 0.067 0.000 1.164 335 A CA 1.769 53.842 52.037 0.060 0.000 0.643 335 A CB -0.974 17.968 19.000 -0.097 0.000 0.806 335 A HN 0.530 nan 8.150 nan 0.000 0.451 336 L N -0.837 120.412 121.223 0.045 0.000 2.049 336 L HA 0.080 4.421 4.340 0.001 0.000 0.203 336 L C 2.847 179.708 176.870 -0.015 0.000 1.074 336 L CA 1.670 56.521 54.840 0.018 0.000 0.749 336 L CB -0.636 41.433 42.059 0.016 0.000 0.907 336 L HN 0.324 nan 8.230 nan 0.000 0.439 337 A N -0.519 122.264 122.820 -0.061 0.000 2.009 337 A HA -0.322 3.999 4.320 0.001 0.000 0.222 337 A C 2.271 179.751 177.584 -0.173 0.000 1.175 337 A CA 2.434 54.379 52.037 -0.153 0.000 0.651 337 A CB -0.680 18.147 19.000 -0.288 0.000 0.815 337 A HN 0.534 nan 8.150 nan 0.000 0.459 338 M N -1.007 118.522 119.600 -0.118 0.000 2.065 338 M HA -0.235 4.246 4.480 0.001 0.000 0.259 338 M C 1.986 178.288 176.300 0.003 0.000 1.069 338 M CA 2.255 57.526 55.300 -0.050 0.000 1.110 338 M CB -0.906 31.782 32.600 0.147 0.000 1.328 338 M HN 0.510 nan 8.290 nan 0.000 0.405 339 N N 0.634 119.343 118.700 0.015 0.000 2.104 339 N HA -0.178 4.563 4.740 0.001 0.000 0.190 339 N C 1.279 176.777 175.510 -0.020 0.000 1.024 339 N CA 1.537 54.592 53.050 0.008 0.000 0.853 339 N CB -0.276 38.217 38.487 0.009 0.000 1.008 339 N HN 0.252 nan 8.380 nan 0.000 0.424 340 D N -0.170 120.208 120.400 -0.037 0.000 2.087 340 D HA -0.100 4.541 4.640 0.001 0.000 0.192 340 D C 1.983 178.255 176.300 -0.047 0.000 0.993 340 D CA 0.875 54.849 54.000 -0.042 0.000 0.828 340 D CB -0.451 40.318 40.800 -0.051 0.000 0.968 340 D HN -0.003 nan 8.370 nan 0.000 0.448 341 V N 0.561 120.430 119.914 -0.075 0.000 2.407 341 V HA -0.213 3.908 4.120 0.001 0.000 0.248 341 V C 2.512 178.552 176.094 -0.089 0.000 1.055 341 V CA 1.020 63.282 62.300 -0.064 0.000 1.049 341 V CB -0.401 31.358 31.823 -0.106 0.000 0.662 341 V HN 0.122 nan 8.190 nan 0.000 0.455 342 L N 0.980 122.154 121.223 -0.082 0.000 1.976 342 L HA -0.173 4.168 4.340 0.001 0.000 0.209 342 L C 2.322 179.117 176.870 -0.126 0.000 1.071 342 L CA 2.228 56.994 54.840 -0.124 0.000 0.746 342 L CB -0.918 41.115 42.059 -0.044 0.000 0.890 342 L HN 0.501 nan 8.230 nan 0.000 0.432 343 D N -1.372 118.982 120.400 -0.076 0.000 2.392 343 D HA -0.159 4.482 4.640 0.001 0.000 0.228 343 D C 1.523 177.788 176.300 -0.060 0.000 1.003 343 D CA 0.378 54.337 54.000 -0.068 0.000 0.917 343 D CB 0.047 40.821 40.800 -0.044 0.000 0.890 343 D HN 0.497 nan 8.370 nan 0.000 0.532 344 E N 1.239 121.407 120.200 -0.054 0.000 2.024 344 E HA -0.022 4.329 4.350 0.001 0.000 0.190 344 E C 2.282 178.862 176.600 -0.035 0.000 0.974 344 E CA 0.633 57.021 56.400 -0.020 0.000 0.810 344 E CB -0.112 29.601 29.700 0.021 0.000 0.775 344 E HN 0.221 nan 8.360 nan 0.000 0.453 345 A N 1.112 123.894 122.820 -0.065 0.000 1.883 345 A HA -0.227 4.094 4.320 0.001 0.000 0.217 345 A C 2.543 180.031 177.584 -0.161 0.000 1.186 345 A CA 1.630 53.608 52.037 -0.099 0.000 0.624 345 A CB -1.225 17.579 19.000 -0.327 0.000 0.822 345 A HN 0.428 nan 8.150 nan 0.000 0.444 346 C N -1.062 118.125 119.300 -0.190 0.000 2.401 346 C HA -0.112 4.349 4.460 0.001 0.000 0.286 346 C C 2.843 177.760 174.990 -0.122 0.000 1.332 346 C CA 1.299 60.212 59.018 -0.175 0.000 1.795 346 C CB -1.582 26.065 27.740 -0.154 0.000 1.922 346 C HN 0.614 nan 8.230 nan 0.000 0.520 347 R N -0.679 119.766 120.500 -0.091 0.000 2.090 347 R HA -0.072 4.268 4.340 0.001 0.000 0.228 347 R C 2.466 178.727 176.300 -0.065 0.000 1.110 347 R CA 1.580 57.641 56.100 -0.064 0.000 0.973 347 R CB -0.163 30.113 30.300 -0.042 0.000 0.869 347 R HN 0.443 nan 8.270 nan 0.000 0.440 348 S N -0.375 115.276 115.700 -0.083 0.000 2.384 348 S HA 0.171 4.641 4.470 0.001 0.000 0.217 348 S C 0.126 174.661 174.600 -0.108 0.000 1.041 348 S CA 0.295 58.438 58.200 -0.095 0.000 0.948 348 S CB 0.330 63.456 63.200 -0.123 0.000 0.872 348 S HN 0.003 nan 8.310 nan 0.000 0.512 349 L N 2.214 123.351 121.223 -0.144 0.000 2.265 349 L HA 0.534 4.875 4.340 0.001 0.000 0.289 349 L C 0.090 176.888 176.870 -0.121 0.000 1.033 349 L CA -0.432 54.352 54.840 -0.092 0.000 0.814 349 L CB 0.069 42.065 42.059 -0.105 0.000 1.203 349 L HN 0.127 nan 8.230 nan 0.000 0.423 350 A N 6.244 129.009 122.820 -0.091 0.000 2.545 350 A HA 0.392 4.712 4.320 0.001 0.000 0.297 350 A C 0.366 177.686 177.584 -0.440 0.000 1.340 350 A CA -0.148 51.777 52.037 -0.186 0.000 1.016 350 A CB -0.577 18.353 19.000 -0.116 0.000 1.122 350 A HN 0.666 nan 8.150 nan 0.000 0.537 351 I N 3.986 124.267 120.570 -0.481 0.000 2.365 351 I HA 0.201 4.372 4.170 0.001 0.000 0.291 351 I C -1.992 173.827 176.117 -0.497 0.000 1.004 351 I CA -1.991 58.875 61.300 -0.724 0.000 1.311 351 I CB 1.519 39.233 38.000 -0.476 0.000 1.401 351 I HN 0.408 nan 8.210 nan 0.000 0.491 352 P HA 0.013 nan 4.420 nan 0.000 0.264 352 P C 0.474 177.681 177.300 -0.154 0.000 1.193 352 P CA -0.104 62.841 63.100 -0.258 0.000 0.763 352 P CB 0.539 32.129 31.700 -0.183 0.000 0.810 353 K N 3.300 123.635 120.400 -0.108 0.000 2.286 353 K HA -0.239 4.082 4.320 0.001 0.000 0.203 353 K C 1.902 178.476 176.600 -0.043 0.000 1.045 353 K CA 1.182 57.428 56.287 -0.069 0.000 0.935 353 K CB 0.026 32.496 32.500 -0.050 0.000 0.737 353 K HN 0.341 nan 8.250 nan 0.000 0.460 354 R N 0.481 120.960 120.500 -0.036 0.000 2.082 354 R HA -0.148 4.193 4.340 0.001 0.000 0.228 354 R C 2.019 178.319 176.300 -0.000 0.000 1.140 354 R CA 1.405 57.500 56.100 -0.009 0.000 0.920 354 R CB -0.378 29.924 30.300 0.004 0.000 0.828 354 R HN 0.092 nan 8.270 nan 0.000 0.430 355 L N 1.654 122.883 121.223 0.010 0.000 2.081 355 L HA -0.179 4.162 4.340 0.001 0.000 0.212 355 L C 2.763 179.636 176.870 0.006 0.000 1.080 355 L CA 2.521 57.387 54.840 0.042 0.000 0.754 355 L CB -1.887 40.248 42.059 0.127 0.000 0.893 355 L HN 0.595 nan 8.230 nan 0.000 0.433 356 T N -3.736 110.799 114.554 -0.032 0.000 2.684 356 T HA -0.204 4.146 4.350 0.001 0.000 0.267 356 T C 1.846 176.523 174.700 -0.038 0.000 1.036 356 T CA 1.903 63.970 62.100 -0.055 0.000 1.148 356 T CB -0.954 67.874 68.868 -0.068 0.000 0.863 356 T HN 0.286 nan 8.240 nan 0.000 0.436 357 T N 3.160 117.706 114.554 -0.014 0.000 2.607 357 T HA -0.096 4.255 4.350 0.001 0.000 0.267 357 T C 1.891 176.594 174.700 0.004 0.000 1.049 357 T CA 1.616 63.722 62.100 0.009 0.000 1.162 357 T CB -0.794 68.086 68.868 0.019 0.000 0.863 357 T HN 0.186 nan 8.240 nan 0.000 0.424 358 L N 1.267 122.488 121.223 -0.003 0.000 1.978 358 L HA -0.180 4.160 4.340 0.001 0.000 0.218 358 L C 2.903 179.715 176.870 -0.097 0.000 1.075 358 L CA 1.964 56.796 54.840 -0.013 0.000 0.767 358 L CB -1.916 40.139 42.059 -0.005 0.000 0.890 358 L HN 0.289 nan 8.230 nan 0.000 0.434 359 T N -0.681 113.768 114.554 -0.173 0.000 2.564 359 T HA -0.355 3.996 4.350 0.001 0.000 0.264 359 T C 2.002 176.405 174.700 -0.495 0.000 1.100 359 T CA 2.167 63.999 62.100 -0.447 0.000 1.171 359 T CB -0.397 68.161 68.868 -0.517 0.000 0.863 359 T HN 0.256 nan 8.240 nan 0.000 0.430 360 R N 0.887 121.281 120.500 -0.177 0.000 2.134 360 R HA -0.155 4.185 4.340 0.001 0.000 0.248 360 R C 2.373 178.759 176.300 0.142 0.000 1.143 360 R CA 1.996 58.196 56.100 0.167 0.000 0.957 360 R CB -0.480 29.927 30.300 0.178 0.000 0.867 360 R HN 0.461 nan 8.270 nan 0.000 0.441 361 D N 0.428 120.848 120.400 0.033 0.000 2.097 361 D HA -0.142 4.499 4.640 0.001 0.000 0.195 361 D C 1.931 178.181 176.300 -0.083 0.000 0.989 361 D CA 1.201 55.201 54.000 -0.000 0.000 0.827 361 D CB -0.274 40.536 40.800 0.016 0.000 0.966 361 D HN 0.262 nan 8.370 nan 0.000 0.456 362 I N -0.015 120.470 120.570 -0.142 0.000 2.315 362 I HA -0.263 3.908 4.170 0.001 0.000 0.251 362 I C 2.280 178.362 176.117 -0.058 0.000 1.125 362 I CA 0.865 62.061 61.300 -0.173 0.000 1.392 362 I CB -0.233 37.632 38.000 -0.225 0.000 1.065 362 I HN 0.105 nan 8.210 nan 0.000 0.424 363 W N 1.092 122.406 121.300 0.023 0.000 2.452 363 W HA -0.063 4.598 4.660 0.001 0.000 0.313 363 W C 2.749 179.284 176.519 0.026 0.000 1.176 363 W CA 0.303 57.726 57.345 0.130 0.000 1.350 363 W CB -1.205 28.486 29.460 0.385 0.000 1.148 363 W HN 0.160 nan 8.180 nan 0.000 0.498 364 Q N 0.588 120.514 119.800 0.210 0.000 2.047 364 Q HA -0.234 4.107 4.340 0.001 0.000 0.211 364 Q C 2.197 178.174 176.000 -0.039 0.000 1.005 364 Q CA 2.078 57.879 55.803 -0.004 0.000 0.866 364 Q CB -1.294 27.462 28.738 0.030 0.000 0.938 364 Q HN 0.386 nan 8.270 nan 0.000 0.414 365 L N 1.006 122.201 121.223 -0.046 0.000 2.263 365 L HA -0.223 4.118 4.340 0.001 0.000 0.216 365 L C 2.313 179.138 176.870 -0.075 0.000 1.111 365 L CA 0.930 55.723 54.840 -0.078 0.000 0.773 365 L CB -0.705 41.251 42.059 -0.172 0.000 0.906 365 L HN 0.232 nan 8.230 nan 0.000 0.439 366 Q N 0.055 119.820 119.800 -0.059 0.000 2.364 366 Q HA -0.059 4.282 4.340 0.001 0.000 0.207 366 Q C 2.133 178.149 176.000 0.026 0.000 0.970 366 Q CA 1.113 56.882 55.803 -0.056 0.000 0.888 366 Q CB -0.023 28.667 28.738 -0.080 0.000 0.951 366 Q HN 0.595 nan 8.270 nan 0.000 0.469 367 L N -0.255 120.956 121.223 -0.021 0.000 2.117 367 L HA -0.028 4.313 4.340 0.001 0.000 0.200 367 L C 2.454 179.347 176.870 0.038 0.000 1.110 367 L CA 0.332 55.154 54.840 -0.029 0.000 0.774 367 L CB -0.529 41.442 42.059 -0.147 0.000 0.934 367 L HN 0.063 nan 8.230 nan 0.000 0.456 368 R N 0.505 121.030 120.500 0.043 0.000 2.162 368 R HA -0.265 4.076 4.340 0.001 0.000 0.245 368 R C 2.072 178.487 176.300 0.192 0.000 1.129 368 R CA 1.890 58.052 56.100 0.104 0.000 0.940 368 R CB -1.122 29.248 30.300 0.117 0.000 0.875 368 R HN 0.385 nan 8.270 nan 0.000 0.437 369 M N 1.394 121.114 119.600 0.201 0.000 2.610 369 M HA -0.160 4.321 4.480 0.001 0.000 0.257 369 M C 2.159 178.723 176.300 0.440 0.000 1.070 369 M CA 1.782 57.298 55.300 0.360 0.000 1.047 369 M CB -0.331 32.231 32.600 -0.063 0.000 1.386 369 M HN 0.346 nan 8.290 nan 0.000 0.493 370 S N -0.436 115.403 115.700 0.231 0.000 2.510 370 S HA 0.024 4.495 4.470 0.001 0.000 0.230 370 S C 1.093 175.743 174.600 0.084 0.000 1.066 370 S CA -0.451 57.849 58.200 0.166 0.000 0.941 370 S CB -0.286 62.992 63.200 0.131 0.000 0.829 370 S HN 0.456 nan 8.310 nan 0.000 0.530 371 R N 2.992 123.536 120.500 0.073 0.000 2.770 371 R HA 0.010 4.351 4.340 0.001 0.000 0.361 371 R C -0.583 175.687 176.300 -0.051 0.000 0.860 371 R CA -0.131 55.978 56.100 0.016 0.000 1.071 371 R CB 0.025 30.341 30.300 0.026 0.000 0.907 371 R HN 0.074 nan 8.270 nan 0.000 0.403 372 R N 3.955 124.378 120.500 -0.128 0.000 3.147 372 R HA -0.104 4.236 4.340 0.001 0.000 0.230 372 R C -0.088 176.067 176.300 -0.241 0.000 1.549 372 R CA 0.603 56.537 56.100 -0.276 0.000 1.025 372 R CB -0.759 29.381 30.300 -0.268 0.000 1.180 372 R HN 0.704 nan 8.270 nan 0.000 0.575 373 Q N -0.650 119.010 119.800 -0.234 0.000 2.471 373 Q HA 0.385 4.726 4.340 0.001 0.000 0.223 373 Q C 0.985 176.877 176.000 -0.180 0.000 1.045 373 Q CA 0.249 55.964 55.803 -0.147 0.000 0.956 373 Q CB 0.883 29.590 28.738 -0.051 0.000 1.249 373 Q HN 0.631 nan 8.270 nan 0.000 0.549 374 G N -0.109 108.643 108.800 -0.080 0.000 3.175 374 G HA2 0.084 4.045 3.960 0.001 0.000 0.153 374 G HA3 0.084 4.045 3.960 0.001 0.000 0.153 374 G C -0.313 174.610 174.900 0.038 0.000 1.216 374 G CA -0.541 44.533 45.100 -0.043 0.000 0.943 374 G HN 0.626 nan 8.290 nan 0.000 0.611 375 K N 0.650 121.126 120.400 0.127 0.000 2.642 375 K HA -0.124 4.196 4.320 0.001 0.000 0.194 375 K C 1.298 178.084 176.600 0.310 0.000 1.039 375 K CA 0.703 57.159 56.287 0.281 0.000 0.947 375 K CB -0.297 32.325 32.500 0.204 0.000 0.784 375 K HN 0.657 nan 8.250 nan 0.000 0.491 376 R N -0.946 119.676 120.500 0.202 0.000 2.397 376 R HA 0.368 4.709 4.340 0.001 0.000 0.241 376 R C 1.647 178.085 176.300 0.229 0.000 0.914 376 R CA 0.406 56.625 56.100 0.198 0.000 1.071 376 R CB 0.119 30.493 30.300 0.124 0.000 1.116 376 R HN 0.107 nan 8.270 nan 0.000 0.524 377 A N 1.064 124.006 122.820 0.203 0.000 1.975 377 A HA -0.003 4.318 4.320 0.001 0.000 0.215 377 A C 1.196 178.957 177.584 0.295 0.000 1.170 377 A CA 0.225 52.377 52.037 0.191 0.000 0.656 377 A CB -0.646 18.287 19.000 -0.112 0.000 0.821 377 A HN 0.432 nan 8.150 nan 0.000 0.449 378 W N 0.754 122.219 121.300 0.275 0.000 2.318 378 W HA -0.219 4.442 4.660 0.001 0.000 0.313 378 W C 2.233 178.841 176.519 0.149 0.000 1.221 378 W CA 1.783 59.256 57.345 0.214 0.000 1.266 378 W CB -0.272 29.267 29.460 0.131 0.000 1.150 378 W HN 0.308 nan 8.180 nan 0.000 0.496 379 K N 0.006 120.630 120.400 0.373 0.000 2.127 379 K HA -0.258 4.063 4.320 0.001 0.000 0.208 379 K C 1.741 178.481 176.600 0.233 0.000 1.047 379 K CA 1.744 58.179 56.287 0.248 0.000 0.927 379 K CB -0.406 32.222 32.500 0.212 0.000 0.716 379 K HN 0.125 nan 8.250 nan 0.000 0.450 380 L N 0.839 122.234 121.223 0.286 0.000 2.049 380 L HA -0.114 4.227 4.340 0.001 0.000 0.203 380 L C 2.195 179.185 176.870 0.199 0.000 1.074 380 L CA 0.894 55.918 54.840 0.307 0.000 0.749 380 L CB -0.808 41.502 42.059 0.418 0.000 0.907 380 L HN 0.229 nan 8.230 nan 0.000 0.439 381 L N 0.202 121.485 121.223 0.100 0.000 2.211 381 L HA -0.284 4.057 4.340 0.001 0.000 0.216 381 L C 2.352 179.076 176.870 -0.243 0.000 1.092 381 L CA 1.854 56.483 54.840 -0.352 0.000 0.767 381 L CB -0.802 41.110 42.059 -0.244 0.000 0.894 381 L HN 0.537 nan 8.230 nan 0.000 0.437 382 E N -1.836 118.367 120.200 0.005 0.000 2.318 382 E HA -0.122 4.229 4.350 0.001 0.000 0.193 382 E C 0.671 177.330 176.600 0.099 0.000 0.998 382 E CA -0.295 56.129 56.400 0.039 0.000 0.859 382 E CB 0.090 29.830 29.700 0.067 0.000 0.812 382 E HN 0.412 nan 8.360 nan 0.000 0.492 383 H N 2.225 121.340 119.070 0.075 0.000 3.140 383 H HA -0.041 4.516 4.556 0.001 0.000 0.316 383 H C -1.566 173.813 175.328 0.085 0.000 0.986 383 H CA -0.774 55.328 56.048 0.089 0.000 1.397 383 H CB 1.294 31.126 29.762 0.116 0.000 1.377 383 H HN 0.147 nan 8.280 nan 0.000 0.585 384 P HA -0.156 nan 4.420 nan 0.000 0.222 384 P C 0.779 178.223 177.300 0.240 0.000 1.142 384 P CA 1.101 64.309 63.100 0.180 0.000 0.788 384 P CB 0.495 32.237 31.700 0.070 0.000 0.767 385 K N -1.561 119.094 120.400 0.425 0.000 2.353 385 K HA 0.122 4.443 4.320 0.001 0.000 0.195 385 K C 1.533 178.119 176.600 -0.023 0.000 1.031 385 K CA -0.409 55.930 56.287 0.087 0.000 1.079 385 K CB -0.918 31.538 32.500 -0.074 0.000 0.857 385 K HN 0.097 nan 8.250 nan 0.000 0.535 386 F N 2.352 122.266 119.950 -0.061 0.000 2.111 386 F HA -0.328 4.200 4.527 0.001 0.000 0.300 386 F C 2.088 177.817 175.800 -0.120 0.000 1.088 386 F CA 1.682 59.610 58.000 -0.120 0.000 1.243 386 F CB 0.181 39.141 39.000 -0.067 0.000 0.996 386 F HN -0.063 nan 8.300 nan 0.000 0.483 387 R N 1.032 121.487 120.500 -0.075 0.000 2.080 387 R HA -0.157 4.183 4.340 0.001 0.000 0.236 387 R C 2.399 178.490 176.300 -0.348 0.000 1.137 387 R CA 1.581 57.564 56.100 -0.195 0.000 0.943 387 R CB -1.484 28.763 30.300 -0.089 0.000 0.846 387 R HN 0.471 nan 8.270 nan 0.000 0.431 388 A N 0.450 123.061 122.820 -0.348 0.000 1.834 388 A HA -0.119 4.202 4.320 0.001 0.000 0.216 388 A C 2.360 179.750 177.584 -0.323 0.000 1.203 388 A CA 2.486 54.243 52.037 -0.468 0.000 0.621 388 A CB -1.306 17.541 19.000 -0.255 0.000 0.841 388 A HN 0.415 nan 8.150 nan 0.000 0.446 389 A N -1.400 121.248 122.820 -0.288 0.000 1.929 389 A HA -0.301 4.020 4.320 0.001 0.000 0.221 389 A C 2.161 179.506 177.584 -0.397 0.000 1.211 389 A CA 2.458 54.306 52.037 -0.314 0.000 0.657 389 A CB -1.187 17.598 19.000 -0.358 0.000 0.827 389 A HN 0.920 nan 8.150 nan 0.000 0.462 390 Y N 1.019 120.881 120.300 -0.730 0.000 2.049 390 Y HA -0.234 4.316 4.550 0.001 0.000 0.277 390 Y C 1.964 177.636 175.900 -0.379 0.000 1.143 390 Y CA 2.219 59.892 58.100 -0.712 0.000 1.115 390 Y CB -0.495 37.398 38.460 -0.945 0.000 0.975 390 Y HN 0.381 nan 8.280 nan 0.000 0.487 391 D N 0.008 120.190 120.400 -0.363 0.000 2.354 391 D HA -0.149 4.492 4.640 0.001 0.000 0.216 391 D C 1.967 178.244 176.300 -0.040 0.000 0.970 391 D CA 1.070 54.906 54.000 -0.274 0.000 0.905 391 D CB -0.186 40.417 40.800 -0.327 0.000 0.903 391 D HN 0.385 nan 8.370 nan 0.000 0.508 392 L N -0.018 121.178 121.223 -0.045 0.000 2.307 392 L HA 0.066 4.407 4.340 0.001 0.000 0.211 392 L C 1.720 178.412 176.870 -0.297 0.000 1.099 392 L CA 0.802 55.582 54.840 -0.099 0.000 0.816 392 L CB -0.118 41.848 42.059 -0.155 0.000 0.952 392 L HN -0.084 nan 8.230 nan 0.000 0.455 393 L N -0.507 120.502 121.223 -0.356 0.000 2.341 393 L HA 0.245 4.585 4.340 0.001 0.000 0.214 393 L C 2.370 179.051 176.870 -0.315 0.000 1.115 393 L CA 1.476 56.116 54.840 -0.332 0.000 0.820 393 L CB -0.635 41.216 42.059 -0.345 0.000 0.944 393 L HN 0.217 nan 8.230 nan 0.000 0.452 394 A N -0.622 121.940 122.820 -0.429 0.000 1.898 394 A HA -0.129 4.192 4.320 0.001 0.000 0.216 394 A C 2.029 179.518 177.584 -0.157 0.000 1.181 394 A CA 1.788 53.619 52.037 -0.344 0.000 0.620 394 A CB -0.630 18.144 19.000 -0.376 0.000 0.819 394 A HN 0.363 nan 8.150 nan 0.000 0.442 395 L N -0.605 120.541 121.223 -0.128 0.000 2.007 395 L HA -0.021 4.320 4.340 0.001 0.000 0.205 395 L C 2.522 179.380 176.870 -0.020 0.000 1.073 395 L CA 1.748 56.553 54.840 -0.059 0.000 0.744 395 L CB -1.067 40.956 42.059 -0.061 0.000 0.898 395 L HN 0.309 nan 8.230 nan 0.000 0.435 396 R N -0.653 119.812 120.500 -0.059 0.000 2.140 396 R HA -0.256 4.085 4.340 0.001 0.000 0.250 396 R C 2.107 178.463 176.300 0.093 0.000 1.150 396 R CA 1.704 57.829 56.100 0.041 0.000 0.966 396 R CB -0.548 29.717 30.300 -0.059 0.000 0.869 396 R HN 0.437 nan 8.270 nan 0.000 0.445 397 A N 0.173 123.010 122.820 0.028 0.000 2.016 397 A HA -0.135 4.186 4.320 0.001 0.000 0.217 397 A C 1.934 179.544 177.584 0.044 0.000 1.162 397 A CA 1.223 53.287 52.037 0.046 0.000 0.662 397 A CB -0.162 18.853 19.000 0.025 0.000 0.812 397 A HN 0.267 nan 8.150 nan 0.000 0.450 398 E N 0.372 120.587 120.200 0.025 0.000 2.047 398 E HA -0.137 4.214 4.350 0.001 0.000 0.191 398 E C 1.941 178.564 176.600 0.038 0.000 0.987 398 E CA 2.087 58.501 56.400 0.023 0.000 0.799 398 E CB -0.367 29.335 29.700 0.004 0.000 0.752 398 E HN 0.494 nan 8.360 nan 0.000 0.449 399 V N -1.234 118.717 119.914 0.062 0.000 2.488 399 V HA 0.011 4.132 4.120 0.001 0.000 0.246 399 V C 1.543 177.674 176.094 0.061 0.000 1.046 399 V CA 1.711 64.050 62.300 0.065 0.000 1.053 399 V CB -0.576 31.307 31.823 0.100 0.000 0.679 399 V HN 0.150 nan 8.190 nan 0.000 0.458 400 E N 0.038 120.296 120.200 0.095 0.000 2.502 400 E HA 0.126 4.476 4.350 0.001 0.000 0.194 400 E C 0.692 177.327 176.600 0.058 0.000 1.062 400 E CA -0.213 56.235 56.400 0.080 0.000 0.867 400 E CB -0.191 29.593 29.700 0.140 0.000 0.888 400 E HN 0.495 nan 8.360 nan 0.000 0.510 401 R N 1.610 122.141 120.500 0.051 0.000 3.424 401 R HA -0.221 4.120 4.340 0.001 0.000 0.247 401 R C -0.376 175.951 176.300 0.045 0.000 1.000 401 R CA 0.400 56.524 56.100 0.041 0.000 0.672 401 R CB -1.926 28.390 30.300 0.028 0.000 1.042 401 R HN 0.312 nan 8.270 nan 0.000 0.470 402 N N -0.739 117.996 118.700 0.059 0.000 2.422 402 N HA 0.274 5.015 4.740 0.001 0.000 0.264 402 N C 1.031 176.578 175.510 0.060 0.000 1.063 402 N CA 0.341 53.428 53.050 0.062 0.000 0.959 402 N CB 1.082 39.620 38.487 0.083 0.000 1.087 402 N HN 0.247 nan 8.380 nan 0.000 0.483 403 A N 3.533 126.384 122.820 0.052 0.000 1.968 403 A HA -0.129 4.191 4.320 0.001 0.000 0.217 403 A C 1.932 179.551 177.584 0.059 0.000 1.169 403 A CA 0.844 52.912 52.037 0.052 0.000 0.638 403 A CB -0.409 18.617 19.000 0.043 0.000 0.812 403 A HN 0.901 nan 8.150 nan 0.000 0.446 404 E N 0.076 120.311 120.200 0.059 0.000 2.051 404 E HA -0.165 4.185 4.350 0.001 0.000 0.192 404 E C 1.959 178.605 176.600 0.076 0.000 0.991 404 E CA 1.048 57.484 56.400 0.060 0.000 0.799 404 E CB -0.181 29.554 29.700 0.057 0.000 0.748 404 E HN 0.612 nan 8.360 nan 0.000 0.449 405 L N 0.457 121.732 121.223 0.087 0.000 2.005 405 L HA -0.187 4.153 4.340 0.001 0.000 0.207 405 L C 2.759 179.691 176.870 0.102 0.000 1.072 405 L CA 1.302 56.202 54.840 0.100 0.000 0.744 405 L CB -0.404 41.716 42.059 0.102 0.000 0.895 405 L HN 0.254 nan 8.230 nan 0.000 0.433 406 Q N -0.320 119.532 119.800 0.087 0.000 2.522 406 Q HA -0.253 4.088 4.340 0.001 0.000 0.216 406 Q C 2.087 178.159 176.000 0.120 0.000 0.986 406 Q CA 1.054 56.910 55.803 0.088 0.000 0.901 406 Q CB 0.046 28.825 28.738 0.069 0.000 0.954 406 Q HN 0.300 nan 8.270 nan 0.000 0.502 407 R N -0.691 119.885 120.500 0.126 0.000 2.112 407 R HA -0.022 4.319 4.340 0.001 0.000 0.216 407 R C 1.794 178.230 176.300 0.227 0.000 1.080 407 R CA 0.326 56.514 56.100 0.146 0.000 0.996 407 R CB 0.067 30.424 30.300 0.095 0.000 0.902 407 R HN 0.271 nan 8.270 nan 0.000 0.449 408 L N 1.084 122.445 121.223 0.230 0.000 2.191 408 L HA -0.114 4.227 4.340 0.001 0.000 0.212 408 L C 2.221 179.436 176.870 0.575 0.000 1.103 408 L CA 1.236 56.298 54.840 0.371 0.000 0.769 408 L CB -0.434 41.815 42.059 0.316 0.000 0.908 408 L HN 0.167 nan 8.230 nan 0.000 0.438 409 V N -0.430 119.711 119.914 0.379 0.000 2.446 409 V HA -0.188 3.932 4.120 0.001 0.000 0.244 409 V C 2.418 178.757 176.094 0.408 0.000 1.039 409 V CA 1.271 63.798 62.300 0.379 0.000 1.045 409 V CB -0.371 31.534 31.823 0.137 0.000 0.681 409 V HN 0.355 nan 8.190 nan 0.000 0.459 410 K N -1.169 119.412 120.400 0.302 0.000 2.283 410 K HA -0.213 4.108 4.320 0.001 0.000 0.202 410 K C 1.825 178.585 176.600 0.267 0.000 1.048 410 K CA 1.337 57.768 56.287 0.240 0.000 0.948 410 K CB -0.164 32.443 32.500 0.178 0.000 0.742 410 K HN 0.573 nan 8.250 nan 0.000 0.458 411 W N -0.437 120.962 121.300 0.164 0.000 2.587 411 W HA 0.017 4.678 4.660 0.001 0.000 0.307 411 W C 0.974 177.585 176.519 0.154 0.000 1.138 411 W CA 0.857 58.252 57.345 0.084 0.000 1.450 411 W CB -0.558 28.887 29.460 -0.024 0.000 1.149 411 W HN 0.026 nan 8.180 nan 0.000 0.512 412 W N 1.130 122.646 121.300 0.360 0.000 2.480 412 W HA -0.012 4.648 4.660 0.001 0.000 0.257 412 W C 2.406 178.935 176.519 0.017 0.000 1.235 412 W CA 1.421 58.884 57.345 0.196 0.000 1.218 412 W CB -0.851 28.913 29.460 0.506 0.000 1.131 412 W HN 0.060 nan 8.180 nan 0.000 0.606 413 G N 0.420 109.392 108.800 0.285 0.000 2.453 413 G HA2 -0.246 3.715 3.960 0.001 0.000 0.215 413 G HA3 -0.246 3.715 3.960 0.001 0.000 0.215 413 G C 1.257 176.142 174.900 -0.025 0.000 1.201 413 G CA 1.195 46.379 45.100 0.139 0.000 0.784 413 G HN 0.290 nan 8.290 nan 0.000 0.545 414 E N -0.357 119.786 120.200 -0.094 0.000 2.006 414 E HA -0.089 4.262 4.350 0.001 0.000 0.192 414 E C 2.108 178.551 176.600 -0.262 0.000 0.993 414 E CA 0.770 57.069 56.400 -0.170 0.000 0.808 414 E CB -0.330 29.255 29.700 -0.191 0.000 0.764 414 E HN 0.326 nan 8.360 nan 0.000 0.449 415 F N 2.280 121.845 119.950 -0.641 0.000 2.380 415 F HA -0.220 4.308 4.527 0.001 0.000 0.299 415 F C 2.171 177.689 175.800 -0.469 0.000 1.064 415 F CA 1.714 59.277 58.000 -0.729 0.000 1.432 415 F CB -0.027 38.147 39.000 -1.377 0.000 1.089 415 F HN 0.053 nan 8.300 nan 0.000 0.562 416 Q N -0.772 118.792 119.800 -0.393 0.000 2.378 416 Q HA 0.089 4.430 4.340 0.001 0.000 0.216 416 Q C 1.235 177.030 176.000 -0.341 0.000 0.892 416 Q CA 1.039 56.597 55.803 -0.409 0.000 0.931 416 Q CB -0.204 28.428 28.738 -0.178 0.000 1.086 416 Q HN 0.326 nan 8.270 nan 0.000 0.528 417 V N -3.103 116.650 119.914 -0.268 0.000 3.645 417 V HA 0.275 4.396 4.120 0.001 0.000 0.275 417 V C 0.929 176.908 176.094 -0.190 0.000 1.356 417 V CA -0.363 61.821 62.300 -0.192 0.000 1.051 417 V CB 0.533 32.280 31.823 -0.127 0.000 0.828 417 V HN 0.112 nan 8.190 nan 0.000 0.441 418 S N 1.031 116.584 115.700 -0.245 0.000 2.612 418 S HA 0.635 5.106 4.470 0.001 0.000 0.253 418 S C 0.433 174.928 174.600 -0.175 0.000 1.346 418 S CA 0.412 58.494 58.200 -0.197 0.000 0.976 418 S CB 0.654 63.723 63.200 -0.219 0.000 0.949 418 S HN 1.003 nan 8.310 nan 0.000 0.584 419 A N 0.789 123.547 122.820 -0.105 0.000 2.340 419 A HA 0.652 4.973 4.320 0.001 0.000 0.331 419 A C -2.016 175.566 177.584 -0.003 0.000 1.140 419 A CA -1.828 50.176 52.037 -0.056 0.000 0.801 419 A CB 0.342 19.323 19.000 -0.031 0.000 1.234 419 A HN 0.475 nan 8.150 nan 0.000 0.469 420 P HA -0.196 nan 4.420 nan 0.000 0.219 420 P C -1.505 175.908 177.300 0.189 0.000 1.153 420 P CA 2.004 65.237 63.100 0.221 0.000 0.865 420 P CB -0.652 31.131 31.700 0.140 0.000 0.788 421 P HA -0.131 nan 4.420 nan 0.000 0.213 421 P C 1.182 178.535 177.300 0.088 0.000 1.170 421 P CA 1.503 64.650 63.100 0.078 0.000 0.889 421 P CB -0.428 31.295 31.700 0.039 0.000 0.782 422 D N -0.344 120.089 120.400 0.054 0.000 2.117 422 D HA -0.173 4.468 4.640 0.001 0.000 0.197 422 D C 1.969 178.311 176.300 0.070 0.000 0.987 422 D CA 1.072 55.097 54.000 0.041 0.000 0.829 422 D CB -0.681 40.118 40.800 -0.001 0.000 0.961 422 D HN 0.323 nan 8.370 nan 0.000 0.460 423 Q N 0.462 120.304 119.800 0.071 0.000 2.297 423 Q HA -0.129 4.212 4.340 0.001 0.000 0.208 423 Q C 2.019 178.194 176.000 0.292 0.000 0.981 423 Q CA 0.892 56.757 55.803 0.103 0.000 0.876 423 Q CB 0.092 28.728 28.738 -0.170 0.000 0.921 423 Q HN 0.263 nan 8.270 nan 0.000 0.446 424 K N -0.141 120.449 120.400 0.316 0.000 1.974 424 K HA -0.102 4.219 4.320 0.001 0.000 0.211 424 K C 2.112 178.832 176.600 0.200 0.000 1.039 424 K CA 1.150 57.636 56.287 0.331 0.000 0.947 424 K CB -0.474 32.157 32.500 0.217 0.000 0.735 424 K HN 0.254 nan 8.250 nan 0.000 0.441 425 G N 1.470 110.349 108.800 0.131 0.000 2.556 425 G HA2 -0.340 3.620 3.960 0.001 0.000 0.220 425 G HA3 -0.340 3.620 3.960 0.001 0.000 0.220 425 G C 1.484 176.434 174.900 0.083 0.000 1.156 425 G CA 1.459 46.613 45.100 0.089 0.000 0.766 425 G HN 0.255 nan 8.290 nan 0.000 0.583 426 M N -0.285 119.367 119.600 0.086 0.000 2.143 426 M HA -0.006 4.474 4.480 0.001 0.000 0.258 426 M C 1.450 177.795 176.300 0.075 0.000 1.071 426 M CA 0.823 56.174 55.300 0.085 0.000 1.088 426 M CB -0.388 32.233 32.600 0.036 0.000 1.360 426 M HN 0.121 nan 8.290 nan 0.000 0.404 427 L N 0.000 121.246 121.223 0.038 0.000 2.949 427 L HA 0.000 4.341 4.340 0.001 0.000 0.249 427 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 427 L CB 0.000 42.067 42.059 0.013 0.000 0.961 427 L HN 0.000 nan 8.230 nan 0.000 0.502