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 2j25_1_A DATA FIRST_RESID 1 DATA SEQUENCE ARPcIPKSFG YSSVVcVcNA TYcDSFDPPT FPALGTFSRY ESTRSGRRME DATA SEQUENCE LSMGPIQANH TGTGLLLTLQ PEQKFQKVKG FGGAMTDAAA LNILALSPPA DATA SEQUENCE QNLLLKSYFS EEGIGYNIIR VPMASCDFSI RTYTYADTPD DFQLHNFSLP DATA SEQUENCE EEDTKLKIPL IHRALQLAQR PVSLLASPWT SPTWLKTNGA VNGKGSLKGQ DATA SEQUENCE PGDIYHQTWA RYFVKFLDAY AEHKLQFWAV TAENEPSAGL LSGYPFQCLG DATA SEQUENCE FTPEHQRDFI ARDLGPTLAN STHHNVRLLM LDDQRLLLPH WAKVVLTDPE DATA SEQUENCE AAKYVHGIAV HWYLDFLAPA KATLGETHRL FPNTMLFASE ACVGSKFWEQ DATA SEQUENCE SVRLGSWDRG MQYSHSIITN LLYHVVGWTD WNLALNPEGG PNWVRNFVDS DATA SEQUENCE PIIVDITKDT FYKQPMFYHL GHFSKFIPEG SQRVGLVASQ KNDLDAVALM DATA SEQUENCE HPDGSAVVVV LNRSSKDVPL TIKDPAVGFL ETISPGYSIH TYLWHRQ 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.554 177.584 -0.050 0.000 1.274 1 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 1 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 2 R N 1.062 121.493 120.500 -0.115 0.000 2.480 2 R HA 0.557 4.897 4.340 0.000 0.000 0.306 2 R C -2.876 173.362 176.300 -0.103 0.000 0.958 2 R CA -1.851 54.163 56.100 -0.142 0.000 0.861 2 R CB 2.436 32.514 30.300 -0.369 0.000 1.171 2 R HN 0.355 nan 8.270 nan 0.000 0.445 3 P HA 0.078 nan 4.420 nan 0.000 0.277 3 P C -0.432 176.913 177.300 0.076 0.000 1.271 3 P CA -0.617 62.494 63.100 0.018 0.000 0.795 3 P CB 0.737 32.459 31.700 0.036 0.000 1.101 4 c N 2.312 120.924 118.600 0.020 0.000 2.499 4 c HA 0.322 4.892 4.570 0.000 0.000 0.386 4 c C 0.558 174.677 174.090 0.048 0.000 1.293 4 c CA -0.719 55.629 56.329 0.031 0.000 1.884 4 c CB -1.894 40.584 42.510 -0.054 0.000 2.509 4 c HN 0.266 nan 8.230 nan 0.000 0.566 5 I N 9.314 129.926 120.570 0.070 0.000 2.329 5 I HA 0.249 4.419 4.170 0.000 0.000 0.295 5 I C -1.688 174.436 176.117 0.013 0.000 1.109 5 I CA -2.121 59.169 61.300 -0.016 0.000 1.297 5 I CB 0.176 38.103 38.000 -0.120 0.000 1.433 5 I HN 0.563 nan 8.210 nan 0.000 0.509 6 P HA 0.219 nan 4.420 nan 0.000 0.276 6 P C -0.554 176.769 177.300 0.038 0.000 1.230 6 P CA -0.344 62.776 63.100 0.033 0.000 0.776 6 P CB 1.448 33.154 31.700 0.010 0.000 0.888 7 K N 1.517 121.972 120.400 0.092 0.000 2.422 7 K HA 0.467 4.788 4.320 0.000 0.000 0.251 7 K C -0.850 175.791 176.600 0.069 0.000 0.933 7 K CA -0.676 55.638 56.287 0.044 0.000 0.798 7 K CB 1.709 34.259 32.500 0.083 0.000 1.238 7 K HN 0.330 nan 8.250 nan 0.000 0.428 8 S N 2.806 118.462 115.700 -0.073 0.000 2.489 8 S HA 0.503 4.974 4.470 0.000 0.000 0.291 8 S C -0.610 173.876 174.600 -0.189 0.000 1.151 8 S CA -0.554 57.633 58.200 -0.021 0.000 1.082 8 S CB 0.336 63.502 63.200 -0.057 0.000 1.019 8 S HN 0.543 nan 8.310 nan 0.000 0.492 9 F N 2.621 122.531 119.950 -0.067 0.000 2.764 9 F HA 0.408 4.935 4.527 0.000 0.000 0.310 9 F C 1.597 177.210 175.800 -0.312 0.000 1.124 9 F CA 0.111 58.041 58.000 -0.116 0.000 1.252 9 F CB 0.797 39.776 39.000 -0.035 0.000 1.010 9 F HN 0.893 nan 8.300 nan 0.000 0.518 10 G N -0.928 107.768 108.800 -0.173 0.000 2.195 10 G HA2 -0.290 3.670 3.960 0.000 0.000 0.224 10 G HA3 -0.290 3.670 3.960 0.000 0.000 0.224 10 G C 0.137 174.797 174.900 -0.401 0.000 0.990 10 G CA -0.350 44.547 45.100 -0.338 0.000 0.639 10 G HN 0.344 nan 8.290 nan 0.000 0.514 11 Y N 0.838 121.188 120.300 0.084 0.000 2.534 11 Y HA 0.459 5.009 4.550 0.000 0.000 0.338 11 Y C 2.241 178.178 175.900 0.060 0.000 1.279 11 Y CA 0.084 58.227 58.100 0.072 0.000 1.436 11 Y CB 0.558 39.066 38.460 0.080 0.000 1.573 11 Y HN 0.204 nan 8.280 nan 0.000 0.567 12 S N -1.195 114.660 115.700 0.259 0.000 2.500 12 S HA 0.011 4.481 4.470 0.000 0.000 0.239 12 S C 0.534 175.194 174.600 0.099 0.000 0.989 12 S CA 0.857 59.131 58.200 0.124 0.000 0.951 12 S CB -0.183 63.078 63.200 0.103 0.000 0.759 12 S HN 0.495 nan 8.310 nan 0.000 0.523 13 S N -0.809 114.998 115.700 0.179 0.000 2.703 13 S HA 0.568 5.038 4.470 0.000 0.000 0.273 13 S C -1.074 173.643 174.600 0.195 0.000 1.178 13 S CA -0.333 57.960 58.200 0.156 0.000 0.838 13 S CB 0.887 64.224 63.200 0.228 0.000 1.178 13 S HN 0.759 nan 8.310 nan 0.000 0.494 14 V N 1.210 121.228 119.914 0.173 0.000 2.716 14 V HA 0.907 5.027 4.120 0.000 0.000 0.304 14 V C 0.506 176.731 176.094 0.218 0.000 1.053 14 V CA -0.386 62.019 62.300 0.174 0.000 0.984 14 V CB 0.829 32.717 31.823 0.107 0.000 1.021 14 V HN 0.959 nan 8.190 nan 0.000 0.467 15 V N -0.085 119.964 119.914 0.226 0.000 3.109 15 V HA 0.627 4.747 4.120 0.000 0.000 0.317 15 V C 0.118 176.343 176.094 0.218 0.000 1.074 15 V CA -0.599 61.840 62.300 0.232 0.000 1.033 15 V CB 1.262 33.199 31.823 0.190 0.000 1.111 15 V HN 1.055 nan 8.190 nan 0.000 0.458 16 c N 2.256 120.989 118.600 0.222 0.000 2.255 16 c HA 0.606 5.176 4.570 0.000 0.000 0.326 16 c C 0.337 174.494 174.090 0.111 0.000 1.258 16 c CA -0.683 55.733 56.329 0.146 0.000 1.676 16 c CB -0.035 42.560 42.510 0.141 0.000 2.314 16 c HN 0.733 nan 8.230 nan 0.000 0.509 17 V N 3.422 123.400 119.914 0.106 0.000 2.470 17 V HA 0.225 4.345 4.120 0.000 0.000 0.276 17 V C 0.339 176.328 176.094 -0.176 0.000 1.040 17 V CA 0.092 62.403 62.300 0.018 0.000 1.008 17 V CB 0.213 32.086 31.823 0.084 0.000 0.990 17 V HN 1.042 nan 8.190 nan 0.000 0.477 18 c N 5.841 124.134 118.600 -0.512 0.000 2.507 18 c HA 0.755 5.325 4.570 0.000 0.000 0.319 18 c C 0.419 174.075 174.090 -0.723 0.000 1.208 18 c CA -0.688 55.225 56.329 -0.693 0.000 1.619 18 c CB 1.306 42.959 42.510 -1.428 0.000 2.230 18 c HN 1.107 nan 8.230 nan 0.000 0.492 19 N N 1.165 119.661 118.700 -0.339 0.000 3.614 19 N HA 0.537 5.277 4.740 0.000 0.000 0.341 19 N C 0.479 175.987 175.510 -0.005 0.000 1.567 19 N CA 0.029 52.982 53.050 -0.160 0.000 0.641 19 N CB -0.053 38.375 38.487 -0.099 0.000 2.734 19 N HN 0.432 nan 8.380 nan 0.000 0.604 20 A N -1.249 121.587 122.820 0.026 0.000 2.072 20 A HA 0.090 4.410 4.320 0.000 0.000 0.216 20 A C 1.550 179.165 177.584 0.051 0.000 1.156 20 A CA 1.996 54.066 52.037 0.054 0.000 0.701 20 A CB -1.075 17.949 19.000 0.039 0.000 0.816 20 A HN 0.843 nan 8.150 nan 0.000 0.458 21 T N -5.935 108.650 114.554 0.053 0.000 3.003 21 T HA 0.334 4.684 4.350 0.000 0.000 0.261 21 T C -0.159 174.600 174.700 0.098 0.000 1.003 21 T CA -0.115 62.022 62.100 0.062 0.000 0.917 21 T CB -0.120 68.784 68.868 0.060 0.000 1.084 21 T HN 0.293 nan 8.240 nan 0.000 0.522 22 Y N 0.277 120.543 120.300 -0.058 0.000 2.362 22 Y HA 0.579 5.129 4.550 0.000 0.000 0.326 22 Y C -1.530 174.292 175.900 -0.130 0.000 1.083 22 Y CA -1.381 56.671 58.100 -0.079 0.000 1.073 22 Y CB 1.609 40.020 38.460 -0.082 0.000 1.211 22 Y HN 0.328 nan 8.280 nan 0.000 0.433 23 c N 6.476 124.786 118.600 -0.483 0.000 2.985 23 c HA 0.396 4.966 4.570 0.000 0.000 0.314 23 c C -1.444 172.359 174.090 -0.479 0.000 1.215 23 c CA -0.787 55.346 56.329 -0.328 0.000 1.414 23 c CB 1.050 43.466 42.510 -0.156 0.000 1.842 23 c HN 0.905 nan 8.230 nan 0.000 0.477 24 D N 3.288 123.519 120.400 -0.281 0.000 2.383 24 D HA 0.371 5.011 4.640 0.000 0.000 0.252 24 D C -0.083 176.038 176.300 -0.298 0.000 1.166 24 D CA 0.300 54.141 54.000 -0.265 0.000 0.879 24 D CB 1.183 41.910 40.800 -0.122 0.000 1.164 24 D HN 0.699 nan 8.370 nan 0.000 0.462 25 S N 1.074 116.574 115.700 -0.335 0.000 2.667 25 S HA 0.712 5.183 4.470 0.000 0.000 0.292 25 S C -0.845 173.536 174.600 -0.364 0.000 1.126 25 S CA -0.973 57.056 58.200 -0.285 0.000 0.881 25 S CB 1.213 64.332 63.200 -0.135 0.000 1.132 25 S HN 0.376 nan 8.310 nan 0.000 0.492 26 F N 0.777 120.756 119.950 0.048 0.000 2.497 26 F HA 0.507 5.034 4.527 0.000 0.000 0.331 26 F C 0.619 176.455 175.800 0.061 0.000 1.060 26 F CA -0.728 57.317 58.000 0.076 0.000 0.989 26 F CB 0.969 40.022 39.000 0.089 0.000 1.245 26 F HN 0.498 nan 8.300 nan 0.000 0.486 27 D N 1.171 121.746 120.400 0.292 0.000 2.354 27 D HA 0.245 4.885 4.640 0.000 0.000 0.247 27 D C -2.290 174.123 176.300 0.189 0.000 1.138 27 D CA -1.252 52.859 54.000 0.186 0.000 0.958 27 D CB 0.249 41.137 40.800 0.147 0.000 1.144 27 D HN 0.087 nan 8.370 nan 0.000 0.458 28 P HA 0.064 nan 4.420 nan 0.000 0.263 28 P C -2.324 175.061 177.300 0.141 0.000 1.175 28 P CA -0.542 62.639 63.100 0.134 0.000 0.761 28 P CB -0.362 31.414 31.700 0.127 0.000 0.794 29 P HA 0.081 nan 4.420 nan 0.000 0.271 29 P C -0.745 176.600 177.300 0.076 0.000 1.216 29 P CA 0.115 63.271 63.100 0.093 0.000 0.771 29 P CB 0.489 32.199 31.700 0.016 0.000 0.864 30 T N 2.693 117.284 114.554 0.060 0.000 2.829 30 T HA 0.379 4.729 4.350 0.000 0.000 0.282 30 T C 0.027 174.712 174.700 -0.025 0.000 0.990 30 T CA -0.204 61.957 62.100 0.100 0.000 1.028 30 T CB 0.265 69.185 68.868 0.088 0.000 0.951 30 T HN 0.097 nan 8.240 nan 0.000 0.460 31 F N 4.638 124.591 119.950 0.004 0.000 2.566 31 F HA 0.269 4.796 4.527 0.000 0.000 0.349 31 F C -1.252 174.408 175.800 -0.235 0.000 1.245 31 F CA -2.370 55.585 58.000 -0.076 0.000 1.169 31 F CB -0.543 38.518 39.000 0.101 0.000 1.470 31 F HN 0.324 nan 8.300 nan 0.000 0.634 32 P HA 0.337 nan 4.420 nan 0.000 0.276 32 P C -0.489 176.672 177.300 -0.231 0.000 1.261 32 P CA -0.548 62.458 63.100 -0.156 0.000 0.800 32 P CB 0.950 32.578 31.700 -0.120 0.000 1.066 33 A N 0.964 123.728 122.820 -0.094 0.000 2.351 33 A HA 0.272 4.592 4.320 0.000 0.000 0.257 33 A C 0.272 177.867 177.584 0.018 0.000 1.087 33 A CA -0.512 51.508 52.037 -0.028 0.000 0.798 33 A CB -0.443 18.557 19.000 -0.001 0.000 1.033 33 A HN 0.649 nan 8.150 nan 0.000 0.488 34 L N 1.643 122.921 121.223 0.091 0.000 2.573 34 L HA 0.335 4.676 4.340 0.000 0.000 0.290 34 L C 1.451 178.369 176.870 0.080 0.000 1.247 34 L CA 2.254 57.172 54.840 0.131 0.000 0.876 34 L CB 0.205 42.340 42.059 0.128 0.000 1.123 34 L HN 1.652 nan 8.230 nan 0.000 0.505 35 G N 1.910 110.756 108.800 0.078 0.000 2.205 35 G HA2 -0.278 3.682 3.960 0.000 0.000 0.261 35 G HA3 -0.278 3.682 3.960 0.000 0.000 0.261 35 G C 0.473 175.396 174.900 0.038 0.000 0.980 35 G CA 0.378 45.503 45.100 0.040 0.000 0.632 35 G HN 0.838 nan 8.290 nan 0.000 0.533 36 T N 1.031 115.611 114.554 0.044 0.000 2.855 36 T HA 0.645 4.995 4.350 0.000 0.000 0.281 36 T C -0.469 174.289 174.700 0.096 0.000 1.007 36 T CA 0.039 62.136 62.100 -0.006 0.000 1.009 36 T CB 1.342 70.170 68.868 -0.066 0.000 0.983 36 T HN 0.880 nan 8.240 nan 0.000 0.455 37 F N 0.186 120.161 119.950 0.041 0.000 2.561 37 F HA 0.877 5.404 4.527 0.000 0.000 0.321 37 F C -0.284 175.566 175.800 0.084 0.000 1.065 37 F CA -1.080 56.998 58.000 0.131 0.000 0.934 37 F CB 1.141 40.217 39.000 0.126 0.000 1.215 37 F HN 0.330 nan 8.300 nan 0.000 0.471 38 S N 2.150 118.028 115.700 0.298 0.000 2.549 38 S HA 0.633 5.103 4.470 0.000 0.000 0.297 38 S C -0.906 173.842 174.600 0.246 0.000 1.115 38 S CA -0.857 57.390 58.200 0.079 0.000 1.059 38 S CB 1.437 64.633 63.200 -0.007 0.000 1.046 38 S HN 0.778 nan 8.310 nan 0.000 0.506 39 R N 1.794 122.275 120.500 -0.031 0.000 2.575 39 R HA 0.417 4.757 4.340 0.000 0.000 0.293 39 R C -2.103 173.940 176.300 -0.428 0.000 0.983 39 R CA -0.476 55.523 56.100 -0.167 0.000 0.887 39 R CB 0.920 31.206 30.300 -0.024 0.000 1.184 39 R HN 0.673 nan 8.270 nan 0.000 0.445 40 Y N 1.917 122.009 120.300 -0.348 0.000 2.328 40 Y HA 0.279 4.829 4.550 0.000 0.000 0.336 40 Y C -0.167 175.677 175.900 -0.094 0.000 0.960 40 Y CA -0.529 57.445 58.100 -0.210 0.000 1.134 40 Y CB 1.962 40.244 38.460 -0.298 0.000 1.166 40 Y HN 0.544 nan 8.280 nan 0.000 0.464 41 E N 2.183 122.432 120.200 0.082 0.000 2.187 41 E HA 0.661 5.011 4.350 0.000 0.000 0.268 41 E C -1.311 175.481 176.600 0.320 0.000 0.896 41 E CA -0.527 55.941 56.400 0.114 0.000 0.766 41 E CB 1.101 30.738 29.700 -0.106 0.000 1.142 41 E HN 0.566 nan 8.360 nan 0.000 0.408 42 S N 2.120 118.062 115.700 0.404 0.000 2.526 42 S HA 0.601 5.071 4.470 0.000 0.000 0.293 42 S C -0.974 173.860 174.600 0.389 0.000 1.092 42 S CA -0.797 57.650 58.200 0.410 0.000 0.980 42 S CB 1.810 65.344 63.200 0.557 0.000 1.048 42 S HN 0.649 nan 8.310 nan 0.000 0.483 43 T N -1.040 113.595 114.554 0.134 0.000 2.909 43 T HA 0.472 4.822 4.350 0.000 0.000 0.299 43 T C 0.749 174.881 174.700 -0.946 0.000 1.073 43 T CA -0.967 60.971 62.100 -0.269 0.000 0.999 43 T CB 1.726 70.527 68.868 -0.112 0.000 1.098 43 T HN 0.465 nan 8.240 nan 0.000 0.477 44 R N 1.379 120.930 120.500 -1.581 0.000 2.103 44 R HA -0.151 4.189 4.340 0.000 0.000 0.242 44 R C 2.164 178.109 176.300 -0.591 0.000 1.142 44 R CA 2.458 57.625 56.100 -1.554 0.000 0.960 44 R CB -0.907 28.590 30.300 -1.338 0.000 0.858 44 R HN 0.851 nan 8.270 nan 0.000 0.439 45 S N -1.537 113.936 115.700 -0.378 0.000 2.419 45 S HA -0.048 4.422 4.470 0.000 0.000 0.235 45 S C 1.475 175.995 174.600 -0.133 0.000 1.019 45 S CA 1.213 59.300 58.200 -0.189 0.000 0.982 45 S CB 0.050 63.179 63.200 -0.118 0.000 0.789 45 S HN 0.623 nan 8.310 nan 0.000 0.490 46 G N 0.201 108.916 108.800 -0.142 0.000 3.288 46 G HA2 -0.034 3.926 3.960 0.000 0.000 0.219 46 G HA3 -0.034 3.926 3.960 0.000 0.000 0.219 46 G C -0.091 174.788 174.900 -0.035 0.000 0.944 46 G CA -0.826 44.235 45.100 -0.064 0.000 0.854 46 G HN 0.392 nan 8.290 nan 0.000 0.632 47 R N 0.824 121.308 120.500 -0.028 0.000 2.491 47 R HA 0.534 4.874 4.340 0.000 0.000 0.283 47 R C -0.297 176.029 176.300 0.044 0.000 1.072 47 R CA -0.109 55.999 56.100 0.013 0.000 1.048 47 R CB 0.529 30.853 30.300 0.040 0.000 0.983 47 R HN -0.047 nan 8.270 nan 0.000 0.450 48 R N 3.966 124.462 120.500 -0.006 0.000 2.371 48 R HA 0.194 4.534 4.340 0.000 0.000 0.312 48 R C 0.064 176.424 176.300 0.100 0.000 0.980 48 R CA -0.551 55.488 56.100 -0.101 0.000 0.867 48 R CB 1.328 31.331 30.300 -0.495 0.000 1.163 48 R HN 0.769 nan 8.270 nan 0.000 0.492 49 M N 0.750 120.534 119.600 0.308 0.000 2.140 49 M HA -0.260 4.220 4.480 0.000 0.000 0.191 49 M C -0.157 176.405 176.300 0.436 0.000 0.454 49 M CA 1.195 56.744 55.300 0.416 0.000 0.403 49 M CB -1.270 31.705 32.600 0.624 0.000 1.031 49 M HN 0.500 nan 8.290 nan 0.000 0.937 50 E N 1.111 121.446 120.200 0.226 0.000 2.289 50 E HA 0.354 4.704 4.350 0.000 0.000 0.278 50 E C -0.491 176.081 176.600 -0.048 0.000 1.032 50 E CA -0.529 55.932 56.400 0.102 0.000 0.854 50 E CB 0.930 30.655 29.700 0.041 0.000 1.046 50 E HN 0.335 nan 8.360 nan 0.000 0.409 51 L N 4.291 125.430 121.223 -0.141 0.000 2.265 51 L HA 0.291 4.632 4.340 0.000 0.000 0.288 51 L C -0.550 176.155 176.870 -0.275 0.000 1.058 51 L CA 0.269 54.842 54.840 -0.445 0.000 0.809 51 L CB 0.861 42.634 42.059 -0.476 0.000 1.179 51 L HN 0.497 nan 8.230 nan 0.000 0.429 52 S N 4.888 120.415 115.700 -0.289 0.000 2.704 52 S HA 0.885 5.355 4.470 0.000 0.000 0.296 52 S C -0.546 173.905 174.600 -0.248 0.000 1.138 52 S CA -0.954 57.128 58.200 -0.197 0.000 0.875 52 S CB 1.644 64.775 63.200 -0.115 0.000 1.151 52 S HN 0.652 nan 8.310 nan 0.000 0.500 53 M N 0.041 119.472 119.600 -0.282 0.000 2.631 53 M HA 0.744 5.224 4.480 0.000 0.000 0.288 53 M C -0.075 175.815 176.300 -0.682 0.000 1.260 53 M CA -0.350 54.651 55.300 -0.497 0.000 0.842 53 M CB 2.715 35.099 32.600 -0.361 0.000 1.743 53 M HN 1.118 nan 8.290 nan 0.000 0.461 54 G N 0.560 108.549 108.800 -1.351 0.000 2.663 54 G HA2 0.805 4.765 3.960 0.000 0.000 0.299 54 G HA3 0.805 4.765 3.960 0.000 0.000 0.299 54 G C -3.380 171.171 174.900 -0.583 0.000 1.372 54 G CA -0.898 43.653 45.100 -0.916 0.000 0.781 54 G HN 0.348 nan 8.290 nan 0.000 0.491 55 P HA 0.544 nan 4.420 nan 0.000 0.292 55 P C -0.788 176.640 177.300 0.213 0.000 1.283 55 P CA -0.531 62.604 63.100 0.058 0.000 0.835 55 P CB 1.880 33.604 31.700 0.040 0.000 1.017 56 I N 3.287 123.934 120.570 0.128 0.000 2.307 56 I HA 0.172 4.342 4.170 0.000 0.000 0.289 56 I C 1.117 177.258 176.117 0.040 0.000 1.021 56 I CA -0.381 60.939 61.300 0.034 0.000 1.224 56 I CB 0.627 38.559 38.000 -0.113 0.000 1.376 56 I HN 0.248 nan 8.210 nan 0.000 0.470 57 Q N 5.628 125.475 119.800 0.078 0.000 2.221 57 Q HA 0.582 4.922 4.340 0.000 0.000 0.242 57 Q C 0.303 176.406 176.000 0.172 0.000 0.940 57 Q CA -0.781 55.079 55.803 0.095 0.000 0.896 57 Q CB 1.927 30.710 28.738 0.075 0.000 1.226 57 Q HN 0.677 nan 8.270 nan 0.000 0.463 58 A N 1.032 123.936 122.820 0.141 0.000 2.238 58 A HA 0.137 4.457 4.320 0.000 0.000 0.210 58 A C 0.817 178.528 177.584 0.211 0.000 1.179 58 A CA 0.799 52.953 52.037 0.196 0.000 0.827 58 A CB -0.836 18.230 19.000 0.110 0.000 0.856 58 A HN 0.877 nan 8.150 nan 0.000 0.488 59 N N -0.692 118.057 118.700 0.081 0.000 2.459 59 N HA 0.523 5.263 4.740 0.000 0.000 0.288 59 N C -0.646 174.700 175.510 -0.273 0.000 1.186 59 N CA -0.388 52.619 53.050 -0.073 0.000 0.917 59 N CB 0.445 38.901 38.487 -0.052 0.000 1.219 59 N HN 0.501 nan 8.380 nan 0.000 0.525 60 H N -0.045 118.687 119.070 -0.563 0.000 2.638 60 H HA 0.512 5.068 4.556 0.000 0.000 0.317 60 H C 0.935 176.066 175.328 -0.328 0.000 1.006 60 H CA 0.120 55.762 56.048 -0.676 0.000 1.222 60 H CB 1.219 30.321 29.762 -1.100 0.000 1.419 60 H HN 0.881 nan 8.280 nan 0.000 0.489 61 T N 3.023 117.417 114.554 -0.267 0.000 2.978 61 T HA 0.135 4.485 4.350 0.000 0.000 0.262 61 T C 1.262 175.739 174.700 -0.372 0.000 1.063 61 T CA 0.560 62.499 62.100 -0.268 0.000 1.140 61 T CB -0.083 nan 68.868 nan 0.000 0.886 61 T HN 0.617 nan 8.240 nan 0.000 0.470 62 G N 0.523 109.090 108.800 -0.389 0.000 2.667 62 G HA2 0.380 4.340 3.960 0.000 0.000 0.250 62 G HA3 0.380 4.340 3.960 0.000 0.000 0.250 62 G C 0.997 175.734 174.900 -0.272 0.000 1.212 62 G CA 0.633 45.635 45.100 -0.163 0.000 0.874 62 G HN 0.463 nan 8.290 nan 0.000 0.561 63 T N -2.382 112.126 114.554 -0.077 0.000 3.058 63 T HA 0.402 4.752 4.350 0.000 0.000 0.278 63 T C 1.095 175.807 174.700 0.021 0.000 0.974 63 T CA 0.795 62.867 62.100 -0.048 0.000 0.893 63 T CB 0.116 68.951 68.868 -0.054 0.000 1.138 63 T HN 0.797 nan 8.240 nan 0.000 0.529 64 G N 1.806 110.636 108.800 0.050 0.000 2.574 64 G HA2 0.551 4.511 3.960 0.000 0.000 0.248 64 G HA3 0.551 4.511 3.960 0.000 0.000 0.248 64 G C -0.345 174.590 174.900 0.058 0.000 1.422 64 G CA -0.891 44.236 45.100 0.044 0.000 1.051 64 G HN 0.449 nan 8.290 nan 0.000 0.560 65 L N -0.569 120.675 121.223 0.035 0.000 2.559 65 L HA 0.316 4.656 4.340 0.000 0.000 0.282 65 L C -0.404 176.477 176.870 0.018 0.000 1.232 65 L CA -0.104 54.751 54.840 0.025 0.000 0.885 65 L CB 0.599 42.666 42.059 0.013 0.000 1.131 65 L HN 0.263 nan 8.230 nan 0.000 0.498 66 L N 6.564 127.795 121.223 0.013 0.000 2.353 66 L HA 0.446 4.786 4.340 0.000 0.000 0.270 66 L C -1.069 175.795 176.870 -0.011 0.000 1.003 66 L CA -0.185 54.648 54.840 -0.013 0.000 0.862 66 L CB 0.827 42.883 42.059 -0.005 0.000 1.221 66 L HN 0.526 nan 8.230 nan 0.000 0.430 67 L N 4.705 125.914 121.223 -0.024 0.000 2.315 67 L HA 0.387 4.727 4.340 0.000 0.000 0.283 67 L C 0.056 176.914 176.870 -0.021 0.000 1.089 67 L CA -0.066 54.769 54.840 -0.009 0.000 0.833 67 L CB 0.618 42.677 42.059 -0.001 0.000 1.170 67 L HN 0.549 nan 8.230 nan 0.000 0.442 68 T N 4.279 118.831 114.554 -0.003 0.000 2.770 68 T HA 0.385 4.735 4.350 0.000 0.000 0.283 68 T C -0.099 174.616 174.700 0.025 0.000 0.988 68 T CA -0.507 61.584 62.100 -0.015 0.000 0.957 68 T CB 1.728 70.589 68.868 -0.011 0.000 0.930 68 T HN 0.245 nan 8.240 nan 0.000 0.443 69 L N 3.130 124.379 121.223 0.044 0.000 2.464 69 L HA 0.286 4.626 4.340 0.000 0.000 0.264 69 L C 0.156 177.066 176.870 0.067 0.000 1.199 69 L CA 0.577 55.474 54.840 0.094 0.000 0.818 69 L CB 0.436 42.601 42.059 0.177 0.000 1.102 69 L HN 0.601 nan 8.230 nan 0.000 0.473 70 Q N 4.616 124.463 119.800 0.079 0.000 3.662 70 Q HA 0.208 4.548 4.340 0.000 0.000 0.237 70 Q C -2.015 174.018 176.000 0.055 0.000 0.895 70 Q CA -1.317 54.523 55.803 0.061 0.000 0.767 70 Q CB 1.215 29.995 28.738 0.070 0.000 1.469 70 Q HN 0.526 nan 8.270 nan 0.000 0.424 71 P HA -0.201 nan 4.420 nan 0.000 0.220 71 P C 0.790 178.095 177.300 0.009 0.000 1.144 71 P CA 1.239 64.361 63.100 0.036 0.000 0.800 71 P CB 0.610 32.333 31.700 0.039 0.000 0.772 72 E N 0.129 120.329 120.200 0.000 0.000 2.016 72 E HA -0.085 4.265 4.350 0.000 0.000 0.190 72 E C 0.818 177.371 176.600 -0.078 0.000 0.985 72 E CA 0.732 57.116 56.400 -0.027 0.000 0.802 72 E CB -1.197 28.493 29.700 -0.016 0.000 0.762 72 E HN 0.226 nan 8.360 nan 0.000 0.448 73 Q N 1.738 121.488 119.800 -0.084 0.000 2.586 73 Q HA -0.059 4.281 4.340 0.000 0.000 0.312 73 Q C -0.662 175.081 176.000 -0.428 0.000 1.165 73 Q CA 1.030 56.698 55.803 -0.226 0.000 1.065 73 Q CB -0.284 28.424 28.738 -0.049 0.000 1.054 73 Q HN -0.029 nan 8.270 nan 0.000 0.408 74 K N 2.551 122.609 120.400 -0.570 0.000 2.292 74 K HA 0.505 4.825 4.320 0.000 0.000 0.257 74 K C -0.728 175.485 176.600 -0.645 0.000 0.940 74 K CA -0.420 55.605 56.287 -0.438 0.000 0.811 74 K CB 1.124 33.522 32.500 -0.170 0.000 1.120 74 K HN 0.303 nan 8.250 nan 0.000 0.428 75 F N 0.251 120.242 119.950 0.068 0.000 3.036 75 F HA 0.208 4.735 4.527 0.000 0.000 0.274 75 F C 0.670 176.521 175.800 0.085 0.000 1.474 75 F CA -0.857 57.199 58.000 0.092 0.000 0.987 75 F CB -0.028 39.024 39.000 0.087 0.000 1.877 75 F HN 0.353 nan 8.300 nan 0.000 0.421 76 Q N 2.175 122.172 119.800 0.328 0.000 2.421 76 Q HA 0.193 4.533 4.340 0.000 0.000 0.255 76 Q C -1.331 174.761 176.000 0.154 0.000 1.013 76 Q CA -0.006 55.912 55.803 0.191 0.000 0.895 76 Q CB 0.808 29.634 28.738 0.146 0.000 1.271 76 Q HN 0.513 nan 8.270 nan 0.000 0.460 77 K N 1.249 121.719 120.400 0.117 0.000 2.172 77 K HA 0.371 4.691 4.320 0.000 0.000 0.276 77 K C -0.689 175.964 176.600 0.088 0.000 1.013 77 K CA -0.680 55.665 56.287 0.097 0.000 0.913 77 K CB 1.677 34.224 32.500 0.078 0.000 1.055 77 K HN 0.415 nan 8.250 nan 0.000 0.461 78 V N 4.020 123.989 119.914 0.092 0.000 2.488 78 V HA -0.004 4.116 4.120 0.000 0.000 0.277 78 V C 1.173 177.284 176.094 0.027 0.000 1.046 78 V CA 0.047 62.401 62.300 0.089 0.000 0.986 78 V CB 1.162 33.087 31.823 0.170 0.000 0.989 78 V HN 0.730 nan 8.190 nan 0.000 0.475 79 K N 3.956 124.344 120.400 -0.021 0.000 2.067 79 K HA 0.321 4.641 4.320 0.000 0.000 0.203 79 K C 0.662 177.182 176.600 -0.134 0.000 1.048 79 K CA 1.469 57.699 56.287 -0.094 0.000 0.954 79 K CB -0.071 32.381 32.500 -0.081 0.000 0.737 79 K HN 0.979 nan 8.250 nan 0.000 0.444 80 G N -1.958 106.762 108.800 -0.132 0.000 2.356 80 G HA2 0.296 4.256 3.960 0.000 0.000 0.288 80 G HA3 0.296 4.256 3.960 0.000 0.000 0.288 80 G C -1.621 173.102 174.900 -0.295 0.000 1.302 80 G CA -0.906 44.139 45.100 -0.090 0.000 0.887 80 G HN 0.002 nan 8.290 nan 0.000 0.521 81 F N -0.105 119.823 119.950 -0.037 0.000 2.565 81 F HA 0.851 5.378 4.527 0.000 0.000 0.313 81 F C 0.809 176.297 175.800 -0.519 0.000 1.091 81 F CA 0.531 58.423 58.000 -0.181 0.000 0.915 81 F CB 2.529 41.416 39.000 -0.188 0.000 1.208 81 F HN 1.105 nan 8.300 nan 0.000 0.453 82 G N 0.026 108.474 108.800 -0.586 0.000 2.578 82 G HA2 0.646 4.606 3.960 0.000 0.000 0.302 82 G HA3 0.646 4.606 3.960 0.000 0.000 0.302 82 G C -1.295 173.223 174.900 -0.637 0.000 1.243 82 G CA -0.140 44.416 45.100 -0.907 0.000 0.843 82 G HN 1.022 nan 8.290 nan 0.000 0.486 83 G N -1.778 106.886 108.800 -0.227 0.000 2.663 83 G HA2 0.763 4.723 3.960 0.000 0.000 0.299 83 G HA3 0.763 4.723 3.960 0.000 0.000 0.299 83 G C -1.211 173.734 174.900 0.075 0.000 1.372 83 G CA 0.417 45.490 45.100 -0.045 0.000 0.781 83 G HN 1.678 nan 8.290 nan 0.000 0.491 84 A N -0.214 122.675 122.820 0.116 0.000 2.292 84 A HA 0.637 4.957 4.320 0.000 0.000 0.319 84 A C -0.107 177.514 177.584 0.062 0.000 1.206 84 A CA -0.611 51.530 52.037 0.173 0.000 0.835 84 A CB 1.256 20.489 19.000 0.389 0.000 1.164 84 A HN 0.717 nan 8.150 nan 0.000 0.505 85 M N 3.941 123.607 119.600 0.110 0.000 3.213 85 M HA 0.192 4.672 4.480 0.000 0.000 0.275 85 M C 0.672 176.996 176.300 0.040 0.000 1.424 85 M CA -0.055 55.291 55.300 0.077 0.000 1.561 85 M CB -0.899 31.772 32.600 0.119 0.000 1.109 85 M HN 0.763 nan 8.290 nan 0.000 0.552 86 T N -1.531 112.972 114.554 -0.085 0.000 2.816 86 T HA 0.291 4.641 4.350 0.000 0.000 0.282 86 T C 0.860 175.525 174.700 -0.058 0.000 0.993 86 T CA -0.759 61.254 62.100 -0.146 0.000 0.994 86 T CB 0.790 69.396 68.868 -0.436 0.000 1.025 86 T HN 0.448 nan 8.240 nan 0.000 0.529 87 D N 0.825 121.216 120.400 -0.015 0.000 2.190 87 D HA -0.081 4.560 4.640 0.000 0.000 0.200 87 D C 2.197 178.507 176.300 0.016 0.000 0.992 87 D CA 1.710 55.734 54.000 0.039 0.000 0.854 87 D CB -0.604 40.249 40.800 0.088 0.000 0.936 87 D HN 0.742 nan 8.370 nan 0.000 0.462 88 A N 0.522 123.340 122.820 -0.003 0.000 1.930 88 A HA 0.159 4.479 4.320 0.000 0.000 0.215 88 A C 2.251 179.821 177.584 -0.024 0.000 1.176 88 A CA 1.635 53.687 52.037 0.024 0.000 0.632 88 A CB -0.516 18.563 19.000 0.132 0.000 0.819 88 A HN 0.216 nan 8.150 nan 0.000 0.445 89 A N 0.219 122.987 122.820 -0.086 0.000 1.841 89 A HA 0.180 4.500 4.320 0.000 0.000 0.214 89 A C 2.536 180.107 177.584 -0.021 0.000 1.195 89 A CA 2.144 54.139 52.037 -0.070 0.000 0.611 89 A CB -1.312 17.628 19.000 -0.099 0.000 0.835 89 A HN 1.153 nan 8.150 nan 0.000 0.443 90 A N -0.673 122.144 122.820 -0.006 0.000 1.971 90 A HA -0.203 4.117 4.320 0.000 0.000 0.222 90 A C 2.229 179.816 177.584 0.005 0.000 1.182 90 A CA 1.876 53.920 52.037 0.012 0.000 0.649 90 A CB -0.644 18.372 19.000 0.027 0.000 0.818 90 A HN 0.552 nan 8.150 nan 0.000 0.458 91 L N -0.752 120.474 121.223 0.004 0.000 2.179 91 L HA -0.106 4.234 4.340 0.000 0.000 0.208 91 L C 2.235 179.107 176.870 0.003 0.000 1.096 91 L CA 0.970 55.814 54.840 0.007 0.000 0.779 91 L CB -0.270 41.797 42.059 0.013 0.000 0.922 91 L HN 0.429 nan 8.230 nan 0.000 0.443 92 N N 0.024 118.723 118.700 -0.001 0.000 2.173 92 N HA -0.102 4.638 4.740 0.000 0.000 0.184 92 N C 1.889 177.386 175.510 -0.022 0.000 1.025 92 N CA 1.460 54.508 53.050 -0.004 0.000 0.852 92 N CB -0.092 38.394 38.487 -0.002 0.000 0.998 92 N HN 0.312 nan 8.380 nan 0.000 0.427 93 I N 1.651 122.200 120.570 -0.035 0.000 2.145 93 I HA -0.273 3.897 4.170 0.000 0.000 0.244 93 I C 2.109 178.206 176.117 -0.034 0.000 1.075 93 I CA 1.223 62.489 61.300 -0.057 0.000 1.332 93 I CB -0.372 37.606 38.000 -0.036 0.000 1.033 93 I HN 0.058 nan 8.210 nan 0.000 0.410 94 L N 0.391 121.606 121.223 -0.014 0.000 2.465 94 L HA -0.085 4.255 4.340 0.000 0.000 0.224 94 L C 2.522 179.391 176.870 -0.002 0.000 1.145 94 L CA 0.559 55.395 54.840 -0.006 0.000 0.834 94 L CB -0.394 41.665 42.059 -0.001 0.000 0.944 94 L HN 0.255 nan 8.230 nan 0.000 0.451 95 A N -0.490 122.330 122.820 -0.001 0.000 2.123 95 A HA 0.160 4.480 4.320 0.000 0.000 0.214 95 A C 1.047 178.638 177.584 0.012 0.000 1.152 95 A CA 0.054 52.095 52.037 0.007 0.000 0.728 95 A CB -0.126 18.881 19.000 0.012 0.000 0.814 95 A HN 0.234 nan 8.150 nan 0.000 0.464 96 L N 0.973 122.200 121.223 0.007 0.000 2.453 96 L HA 0.243 4.583 4.340 0.000 0.000 0.261 96 L C 0.994 177.876 176.870 0.021 0.000 1.179 96 L CA -0.413 54.440 54.840 0.023 0.000 0.813 96 L CB 0.925 43.001 42.059 0.029 0.000 1.110 96 L HN 0.314 nan 8.230 nan 0.000 0.466 97 S N 0.627 116.346 115.700 0.031 0.000 2.562 97 S HA 0.151 4.621 4.470 0.000 0.000 0.281 97 S C -1.886 172.729 174.600 0.026 0.000 1.333 97 S CA -1.039 57.177 58.200 0.026 0.000 1.052 97 S CB 0.848 64.065 63.200 0.028 0.000 0.884 97 S HN 0.415 nan 8.310 nan 0.000 0.506 98 P HA -0.135 nan 4.420 nan 0.000 0.218 98 P C -1.501 175.814 177.300 0.025 0.000 1.154 98 P CA 1.644 64.754 63.100 0.017 0.000 0.872 98 P CB -1.185 30.523 31.700 0.013 0.000 0.790 99 P HA -0.148 nan 4.420 nan 0.000 0.216 99 P C 1.441 178.778 177.300 0.062 0.000 1.153 99 P CA 2.011 65.134 63.100 0.039 0.000 0.848 99 P CB -0.682 31.040 31.700 0.036 0.000 0.787 100 A N 0.015 122.885 122.820 0.083 0.000 1.908 100 A HA -0.279 4.041 4.320 0.000 0.000 0.218 100 A C 2.257 179.898 177.584 0.096 0.000 1.181 100 A CA 1.723 53.856 52.037 0.161 0.000 0.627 100 A CB -1.421 17.681 19.000 0.171 0.000 0.818 100 A HN 0.222 nan 8.150 nan 0.000 0.445 101 Q N -0.246 119.563 119.800 0.016 0.000 2.096 101 Q HA -0.188 4.153 4.340 0.000 0.000 0.204 101 Q C 1.733 177.712 176.000 -0.036 0.000 0.982 101 Q CA 1.494 57.269 55.803 -0.046 0.000 0.850 101 Q CB -0.331 28.396 28.738 -0.019 0.000 0.901 101 Q HN 0.683 nan 8.270 nan 0.000 0.422 102 N N 0.594 119.301 118.700 0.012 0.000 2.216 102 N HA -0.054 4.686 4.740 0.000 0.000 0.183 102 N C 1.968 177.502 175.510 0.040 0.000 1.017 102 N CA 0.796 53.862 53.050 0.027 0.000 0.861 102 N CB -0.060 38.446 38.487 0.032 0.000 0.986 102 N HN 0.239 nan 8.380 nan 0.000 0.428 103 L N 1.061 122.326 121.223 0.070 0.000 2.083 103 L HA -0.121 4.219 4.340 0.000 0.000 0.209 103 L C 2.486 179.421 176.870 0.107 0.000 1.083 103 L CA 0.747 55.661 54.840 0.123 0.000 0.752 103 L CB -0.489 41.694 42.059 0.208 0.000 0.899 103 L HN 0.139 nan 8.230 nan 0.000 0.433 104 L N -0.258 120.883 121.223 -0.136 0.000 2.017 104 L HA -0.243 4.097 4.340 0.000 0.000 0.208 104 L C 2.512 179.290 176.870 -0.154 0.000 1.073 104 L CA 1.450 55.976 54.840 -0.523 0.000 0.745 104 L CB -0.060 41.448 42.059 -0.920 0.000 0.894 104 L HN 0.190 nan 8.230 nan 0.000 0.432 105 L N -0.548 120.677 121.223 0.005 0.000 2.027 105 L HA -0.225 4.115 4.340 0.000 0.000 0.206 105 L C 2.619 179.648 176.870 0.266 0.000 1.074 105 L CA 1.297 56.272 54.840 0.225 0.000 0.745 105 L CB -0.450 41.711 42.059 0.169 0.000 0.898 105 L HN 0.190 nan 8.230 nan 0.000 0.433 106 K N -0.351 120.135 120.400 0.144 0.000 2.113 106 K HA -0.185 4.135 4.320 0.000 0.000 0.208 106 K C 2.352 179.018 176.600 0.109 0.000 1.047 106 K CA 1.576 57.943 56.287 0.132 0.000 0.928 106 K CB -0.144 32.405 32.500 0.082 0.000 0.716 106 K HN 0.087 nan 8.250 nan 0.000 0.446 107 S N -0.450 115.276 115.700 0.043 0.000 2.365 107 S HA -0.168 4.302 4.470 0.000 0.000 0.225 107 S C 1.727 176.330 174.600 0.004 0.000 1.039 107 S CA 1.360 59.562 58.200 0.003 0.000 1.033 107 S CB -0.257 62.836 63.200 -0.179 0.000 0.887 107 S HN 0.350 nan 8.310 nan 0.000 0.447 108 Y N -1.167 119.042 120.300 -0.152 0.000 2.243 108 Y HA 0.031 4.581 4.550 0.000 0.000 0.293 108 Y C 1.718 177.196 175.900 -0.703 0.000 1.124 108 Y CA 0.829 58.497 58.100 -0.721 0.000 1.159 108 Y CB 0.033 37.839 38.460 -1.090 0.000 1.008 108 Y HN 0.246 nan 8.280 nan 0.000 0.527 109 F N -1.824 118.192 119.950 0.110 0.000 2.694 109 F HA 0.123 4.650 4.527 0.000 0.000 0.292 109 F C 1.353 177.197 175.800 0.072 0.000 1.121 109 F CA -0.201 57.862 58.000 0.104 0.000 1.352 109 F CB -0.025 39.041 39.000 0.110 0.000 1.107 109 F HN -0.284 nan 8.300 nan 0.000 0.597 110 S N 0.348 116.183 115.700 0.226 0.000 2.603 110 S HA 0.059 4.529 4.470 0.000 0.000 0.268 110 S C 1.194 175.856 174.600 0.104 0.000 1.317 110 S CA -0.350 57.941 58.200 0.153 0.000 1.012 110 S CB 1.288 64.566 63.200 0.131 0.000 0.926 110 S HN 0.212 nan 8.310 nan 0.000 0.539 111 E N 1.472 121.725 120.200 0.088 0.000 2.338 111 E HA -0.075 4.275 4.350 0.000 0.000 0.197 111 E C 1.472 178.127 176.600 0.092 0.000 1.007 111 E CA 1.284 57.718 56.400 0.057 0.000 0.849 111 E CB -0.037 29.701 29.700 0.064 0.000 0.774 111 E HN 0.817 nan 8.360 nan 0.000 0.506 112 E N -1.027 119.253 120.200 0.133 0.000 2.427 112 E HA 0.083 4.433 4.350 0.000 0.000 0.196 112 E C 1.100 177.866 176.600 0.277 0.000 1.028 112 E CA 0.526 57.043 56.400 0.195 0.000 0.864 112 E CB 0.334 30.104 29.700 0.116 0.000 0.813 112 E HN 0.204 nan 8.360 nan 0.000 0.514 113 G N 1.418 110.337 108.800 0.199 0.000 2.945 113 G HA2 0.334 4.294 3.960 0.000 0.000 0.156 113 G HA3 0.334 4.294 3.960 0.000 0.000 0.156 113 G C 0.643 175.600 174.900 0.095 0.000 1.375 113 G CA -0.511 44.716 45.100 0.212 0.000 1.039 113 G HN 0.222 nan 8.290 nan 0.000 0.586 114 I N -2.330 118.189 120.570 -0.086 0.000 3.914 114 I HA 0.468 4.638 4.170 0.000 0.000 0.333 114 I C 1.170 177.143 176.117 -0.239 0.000 1.449 114 I CA 0.217 61.333 61.300 -0.306 0.000 1.135 114 I CB 0.204 37.898 38.000 -0.510 0.000 1.073 114 I HN 0.720 nan 8.210 nan 0.000 0.401 115 G N 1.480 110.210 108.800 -0.117 0.000 2.356 115 G HA2 -0.329 3.631 3.960 0.000 0.000 0.296 115 G HA3 -0.329 3.631 3.960 0.000 0.000 0.296 115 G C 0.067 175.039 174.900 0.121 0.000 1.022 115 G CA 0.039 45.136 45.100 -0.004 0.000 0.961 115 G HN 0.680 nan 8.290 nan 0.000 0.510 116 Y N 0.042 120.263 120.300 -0.132 0.000 2.890 116 Y HA -0.006 4.544 4.550 0.000 0.000 0.341 116 Y C 1.679 177.650 175.900 0.119 0.000 1.269 116 Y CA 0.643 58.679 58.100 -0.107 0.000 1.517 116 Y CB 0.509 38.665 38.460 -0.506 0.000 1.314 116 Y HN 0.519 nan 8.280 nan 0.000 0.622 117 N N 2.152 120.980 118.700 0.213 0.000 2.217 117 N HA 0.141 4.881 4.740 0.000 0.000 0.239 117 N C -1.094 174.460 175.510 0.074 0.000 1.330 117 N CA 0.180 53.326 53.050 0.160 0.000 0.838 117 N CB 0.345 38.882 38.487 0.082 0.000 1.287 117 N HN 0.321 nan 8.380 nan 0.000 0.498 118 I N 1.126 121.743 120.570 0.078 0.000 2.730 118 I HA 0.521 4.691 4.170 0.000 0.000 0.298 118 I C -0.736 175.467 176.117 0.144 0.000 1.089 118 I CA -0.796 60.536 61.300 0.054 0.000 1.041 118 I CB 2.403 40.417 38.000 0.023 0.000 1.235 118 I HN -0.129 nan 8.210 nan 0.000 0.423 119 I N 4.134 124.801 120.570 0.161 0.000 2.512 119 I HA 0.362 4.532 4.170 0.000 0.000 0.287 119 I C -0.145 176.095 176.117 0.205 0.000 1.069 119 I CA -0.558 60.857 61.300 0.191 0.000 1.056 119 I CB 2.481 40.589 38.000 0.180 0.000 1.229 119 I HN 0.512 nan 8.210 nan 0.000 0.429 120 R N 5.164 125.797 120.500 0.220 0.000 2.357 120 R HA 0.641 4.981 4.340 0.000 0.000 0.296 120 R C -1.362 175.114 176.300 0.293 0.000 1.052 120 R CA -0.337 55.926 56.100 0.272 0.000 0.988 120 R CB 1.187 31.653 30.300 0.277 0.000 1.025 120 R HN 0.442 nan 8.270 nan 0.000 0.469 121 V N 7.265 127.382 119.914 0.338 0.000 2.350 121 V HA 0.344 4.464 4.120 0.000 0.000 0.285 121 V C -2.233 174.035 176.094 0.290 0.000 1.014 121 V CA -2.162 60.336 62.300 0.331 0.000 0.831 121 V CB 1.472 33.555 31.823 0.433 0.000 1.000 121 V HN 0.838 nan 8.190 nan 0.000 0.433 122 P HA 0.322 nan 4.420 nan 0.000 0.275 122 P C -0.422 176.966 177.300 0.146 0.000 1.228 122 P CA -0.306 62.955 63.100 0.269 0.000 0.786 122 P CB 0.515 32.178 31.700 -0.062 0.000 0.927 123 M N 2.792 122.404 119.600 0.021 0.000 2.435 123 M HA 0.474 4.954 4.480 0.000 0.000 0.344 123 M C 0.492 176.660 176.300 -0.220 0.000 1.329 123 M CA 0.254 55.481 55.300 -0.122 0.000 1.320 123 M CB -0.621 31.642 32.600 -0.561 0.000 1.309 123 M HN 0.605 nan 8.290 nan 0.000 0.451 124 A N 1.343 123.946 122.820 -0.363 0.000 6.197 124 A HA -0.133 4.187 4.320 0.000 0.000 0.231 124 A C 0.268 177.473 177.584 -0.632 0.000 2.326 124 A CA 0.063 51.627 52.037 -0.789 0.000 0.698 124 A CB -1.667 16.678 19.000 -1.090 0.000 0.901 124 A HN 0.893 nan 8.150 nan 0.000 0.349 125 S N -0.315 114.718 115.700 -1.110 0.000 2.585 125 S HA 0.592 5.062 4.470 0.000 0.000 0.273 125 S C 0.623 174.992 174.600 -0.384 0.000 1.339 125 S CA 0.478 58.221 58.200 -0.762 0.000 1.028 125 S CB 0.441 63.121 63.200 -0.867 0.000 0.906 125 S HN 2.616 nan 8.310 nan 0.000 0.528 126 C N 0.603 119.710 119.300 -0.321 0.000 3.275 126 C HA 0.620 5.080 4.460 0.000 0.000 0.373 126 C C 1.353 176.335 174.990 -0.013 0.000 1.934 126 C CA 0.023 58.810 59.018 -0.386 0.000 1.228 126 C CB 0.532 27.375 27.740 -1.495 0.000 2.317 126 C HN 0.884 nan 8.230 nan 0.000 0.437 127 D N 0.831 121.145 120.400 -0.142 0.000 2.182 127 D HA -0.149 4.491 4.640 0.000 0.000 0.201 127 D C 0.640 176.655 176.300 -0.476 0.000 0.986 127 D CA 1.343 55.064 54.000 -0.465 0.000 0.847 127 D CB -0.451 39.645 40.800 -1.173 0.000 0.942 127 D HN 0.595 nan 8.370 nan 0.000 0.467 128 F N 1.402 121.207 119.950 -0.241 0.000 2.733 128 F HA 0.287 4.814 4.527 0.000 0.000 0.344 128 F C 0.384 176.105 175.800 -0.132 0.000 1.179 128 F CA -0.087 57.765 58.000 -0.247 0.000 1.316 128 F CB 0.045 38.754 39.000 -0.486 0.000 1.577 128 F HN -0.243 nan 8.300 nan 0.000 0.591 129 S N 0.381 116.141 115.700 0.100 0.000 2.627 129 S HA 0.451 4.922 4.470 0.000 0.000 0.283 129 S C 0.718 175.420 174.600 0.171 0.000 1.127 129 S CA -0.781 57.501 58.200 0.137 0.000 0.863 129 S CB 1.855 65.136 63.200 0.134 0.000 1.121 129 S HN 0.396 nan 8.310 nan 0.000 0.479 130 I N -0.694 119.934 120.570 0.097 0.000 3.875 130 I HA 0.408 4.578 4.170 0.000 0.000 0.329 130 I C 0.110 176.215 176.117 -0.020 0.000 1.295 130 I CA -0.128 61.211 61.300 0.065 0.000 1.129 130 I CB -0.280 37.740 38.000 0.033 0.000 1.008 130 I HN 0.605 nan 8.210 nan 0.000 0.413 131 R N 0.219 120.661 120.500 -0.097 0.000 2.725 131 R HA 0.324 4.664 4.340 0.000 0.000 0.254 131 R C -0.880 175.289 176.300 -0.217 0.000 1.076 131 R CA -0.439 55.532 56.100 -0.215 0.000 0.940 131 R CB 0.032 30.277 30.300 -0.092 0.000 1.260 131 R HN 0.115 nan 8.270 nan 0.000 0.466 132 T N 0.353 114.637 114.554 -0.450 0.000 2.780 132 T HA 0.603 4.953 4.350 0.000 0.000 0.294 132 T C -0.408 174.239 174.700 -0.089 0.000 0.949 132 T CA -0.380 61.479 62.100 -0.401 0.000 1.074 132 T CB 0.322 68.852 68.868 -0.563 0.000 0.910 132 T HN 0.700 nan 8.240 nan 0.000 0.501 133 Y N -0.390 119.797 120.300 -0.188 0.000 2.565 133 Y HA 0.670 5.220 4.550 0.000 0.000 0.330 133 Y C -0.547 175.268 175.900 -0.141 0.000 1.150 133 Y CA -1.108 56.913 58.100 -0.132 0.000 1.055 133 Y CB 0.798 39.192 38.460 -0.110 0.000 1.337 133 Y HN 0.914 nan 8.280 nan 0.000 0.457 134 T N -1.879 112.648 114.554 -0.046 0.000 2.858 134 T HA 0.425 4.775 4.350 0.000 0.000 0.285 134 T C -0.434 174.296 174.700 0.050 0.000 1.052 134 T CA -0.671 61.352 62.100 -0.130 0.000 1.009 134 T CB 1.169 70.008 68.868 -0.048 0.000 1.241 134 T HN 0.789 nan 8.240 nan 0.000 0.542 135 Y N -0.070 120.317 120.300 0.144 0.000 2.490 135 Y HA 0.501 5.051 4.550 0.000 0.000 0.281 135 Y C 1.406 177.126 175.900 -0.300 0.000 1.174 135 Y CA -0.263 57.654 58.100 -0.305 0.000 1.295 135 Y CB 0.471 38.268 38.460 -1.105 0.000 1.062 135 Y HN 0.817 nan 8.280 nan 0.000 0.522 136 A N -0.197 122.781 122.820 0.263 0.000 3.005 136 A HA 0.261 4.581 4.320 0.000 0.000 0.308 136 A C -0.469 177.380 177.584 0.442 0.000 1.173 136 A CA -0.513 51.752 52.037 0.380 0.000 0.796 136 A CB -0.037 19.328 19.000 0.607 0.000 1.325 136 A HN 0.139 nan 8.150 nan 0.000 0.467 137 D N 0.611 121.202 120.400 0.318 0.000 2.333 137 D HA 0.020 4.660 4.640 0.000 0.000 0.208 137 D C 0.427 176.919 176.300 0.318 0.000 0.984 137 D CA 0.971 55.150 54.000 0.299 0.000 0.873 137 D CB 0.389 41.291 40.800 0.170 0.000 0.935 137 D HN 0.488 nan 8.370 nan 0.000 0.521 138 T N 3.878 118.575 114.554 0.239 0.000 2.829 138 T HA 0.141 4.491 4.350 0.000 0.000 0.293 138 T C -2.396 172.188 174.700 -0.193 0.000 0.970 138 T CA -0.948 61.188 62.100 0.061 0.000 1.168 138 T CB 1.096 69.992 68.868 0.047 0.000 0.911 138 T HN 0.001 nan 8.240 nan 0.000 0.535 139 P HA 0.240 nan 4.420 nan 0.000 0.275 139 P C -0.138 176.435 177.300 -1.212 0.000 1.228 139 P CA -0.253 62.279 63.100 -0.945 0.000 0.786 139 P CB 0.360 31.884 31.700 -0.294 0.000 0.927 140 D N -0.320 118.804 120.400 -2.126 0.000 2.699 140 D HA -0.187 4.453 4.640 0.000 0.000 0.239 140 D C -0.330 175.388 176.300 -0.970 0.000 1.136 140 D CA 0.999 54.173 54.000 -1.377 0.000 0.668 140 D CB -1.707 38.875 40.800 -0.364 0.000 1.060 140 D HN 0.464 nan 8.370 nan 0.000 0.429 141 D N -0.757 118.866 120.400 -1.296 0.000 2.970 141 D HA 0.179 4.819 4.640 0.000 0.000 0.282 141 D C 1.058 177.299 176.300 -0.098 0.000 1.291 141 D CA -0.620 53.138 54.000 -0.403 0.000 0.967 141 D CB -0.608 40.121 40.800 -0.118 0.000 1.017 141 D HN 0.073 nan 8.370 nan 0.000 0.512 142 F N 0.222 120.199 119.950 0.045 0.000 2.250 142 F HA -0.140 4.387 4.527 0.000 0.000 0.301 142 F C 2.316 178.211 175.800 0.159 0.000 1.077 142 F CA 0.759 58.915 58.000 0.260 0.000 1.348 142 F CB -0.032 39.046 39.000 0.129 0.000 1.040 142 F HN 0.255 nan 8.300 nan 0.000 0.509 143 Q N 0.135 120.021 119.800 0.144 0.000 2.389 143 Q HA 0.080 4.420 4.340 0.000 0.000 0.204 143 Q C 0.631 176.549 176.000 -0.138 0.000 0.944 143 Q CA 0.516 56.261 55.803 -0.096 0.000 0.908 143 Q CB -0.043 28.450 28.738 -0.407 0.000 1.002 143 Q HN 0.428 nan 8.270 nan 0.000 0.493 144 L N 0.500 121.744 121.223 0.034 0.000 3.533 144 L HA -0.326 4.014 4.340 0.000 0.000 0.477 144 L C 0.131 177.076 176.870 0.125 0.000 1.306 144 L CA 0.326 55.276 54.840 0.183 0.000 0.850 144 L CB -1.945 40.258 42.059 0.240 0.000 1.654 144 L HN 0.442 nan 8.230 nan 0.000 0.863 145 H N -0.920 118.261 119.070 0.184 0.000 2.448 145 H HA -0.003 4.553 4.556 0.000 0.000 0.292 145 H C 1.799 177.224 175.328 0.162 0.000 1.035 145 H CA 1.565 57.698 56.048 0.141 0.000 1.349 145 H CB 0.207 30.026 29.762 0.096 0.000 1.425 145 H HN 0.498 nan 8.280 nan 0.000 0.539 146 N N 0.217 119.089 118.700 0.286 0.000 2.467 146 N HA -0.023 4.717 4.740 0.000 0.000 0.184 146 N C -0.298 175.370 175.510 0.264 0.000 1.106 146 N CA -0.155 53.032 53.050 0.229 0.000 0.892 146 N CB 0.081 38.670 38.487 0.170 0.000 0.969 146 N HN 0.165 nan 8.380 nan 0.000 0.454 147 F N 2.058 122.109 119.950 0.169 0.000 2.604 147 F HA -0.041 4.487 4.527 0.000 0.000 0.393 147 F C 0.514 176.372 175.800 0.098 0.000 1.043 147 F CA 0.011 58.101 58.000 0.149 0.000 1.227 147 F CB 0.209 39.262 39.000 0.087 0.000 1.016 147 F HN -0.019 nan 8.300 nan 0.000 0.556 148 S N 5.662 121.246 115.700 -0.194 0.000 2.587 148 S HA 0.540 5.011 4.470 0.000 0.000 0.269 148 S C -1.288 173.199 174.600 -0.189 0.000 1.154 148 S CA -1.335 56.823 58.200 -0.070 0.000 0.824 148 S CB 1.089 64.322 63.200 0.055 0.000 1.118 148 S HN 0.654 nan 8.310 nan 0.000 0.462 149 L N 1.906 123.061 121.223 -0.113 0.000 2.281 149 L HA 0.451 4.791 4.340 0.000 0.000 0.285 149 L C -2.129 174.754 176.870 0.022 0.000 1.074 149 L CA -1.751 53.043 54.840 -0.076 0.000 0.817 149 L CB 0.413 42.377 42.059 -0.157 0.000 1.168 149 L HN 0.523 nan 8.230 nan 0.000 0.434 150 P HA 0.039 nan 4.420 nan 0.000 0.282 150 P C 0.518 177.788 177.300 -0.051 0.000 1.286 150 P CA -0.464 62.619 63.100 -0.029 0.000 0.777 150 P CB 0.730 32.315 31.700 -0.192 0.000 1.184 151 E N -0.446 119.696 120.200 -0.098 0.000 2.208 151 E HA -0.194 4.156 4.350 0.000 0.000 0.193 151 E C 1.472 178.035 176.600 -0.061 0.000 0.988 151 E CA 0.777 57.133 56.400 -0.073 0.000 0.828 151 E CB -0.063 29.590 29.700 -0.077 0.000 0.763 151 E HN 0.349 nan 8.360 nan 0.000 0.478 152 E N 0.831 120.981 120.200 -0.084 0.000 2.136 152 E HA -0.236 4.114 4.350 0.000 0.000 0.202 152 E C 1.304 177.938 176.600 0.057 0.000 1.019 152 E CA 2.088 58.481 56.400 -0.011 0.000 0.819 152 E CB -0.040 29.666 29.700 0.011 0.000 0.739 152 E HN 0.366 nan 8.360 nan 0.000 0.458 153 D N -1.800 118.640 120.400 0.066 0.000 2.197 153 D HA -0.055 4.585 4.640 0.000 0.000 0.212 153 D C 1.947 178.156 176.300 -0.151 0.000 0.963 153 D CA 1.712 55.728 54.000 0.026 0.000 0.864 153 D CB -0.136 40.697 40.800 0.054 0.000 1.009 153 D HN 0.270 nan 8.370 nan 0.000 0.479 154 T N -1.632 112.828 114.554 -0.157 0.000 2.985 154 T HA 0.055 4.405 4.350 0.000 0.000 0.266 154 T C 1.624 176.276 174.700 -0.079 0.000 1.076 154 T CA 0.597 62.589 62.100 -0.181 0.000 1.135 154 T CB 0.139 68.955 68.868 -0.087 0.000 0.890 154 T HN -0.085 nan 8.240 nan 0.000 0.480 155 K N 0.122 120.492 120.400 -0.049 0.000 2.350 155 K HA 0.403 4.723 4.320 0.000 0.000 0.196 155 K C 1.902 178.494 176.600 -0.014 0.000 1.084 155 K CA 0.165 56.438 56.287 -0.024 0.000 0.967 155 K CB 0.280 32.767 32.500 -0.022 0.000 0.950 155 K HN 0.358 nan 8.250 nan 0.000 0.512 156 L N 0.344 121.561 121.223 -0.011 0.000 2.471 156 L HA 0.083 4.423 4.340 0.000 0.000 0.186 156 L C 2.220 179.098 176.870 0.014 0.000 1.191 156 L CA 0.463 55.307 54.840 0.006 0.000 0.835 156 L CB -0.475 41.593 42.059 0.015 0.000 1.092 156 L HN -0.110 nan 8.230 nan 0.000 0.495 157 K N 0.654 121.075 120.400 0.035 0.000 1.985 157 K HA -0.090 4.230 4.320 0.000 0.000 0.210 157 K C 2.055 178.665 176.600 0.018 0.000 1.047 157 K CA 1.501 57.827 56.287 0.066 0.000 0.932 157 K CB -0.216 32.382 32.500 0.163 0.000 0.716 157 K HN 0.150 nan 8.250 nan 0.000 0.439 158 I N 0.947 121.482 120.570 -0.059 0.000 2.163 158 I HA -0.213 3.957 4.170 0.000 0.000 0.243 158 I C -1.030 175.037 176.117 -0.083 0.000 1.085 158 I CA 1.154 62.349 61.300 -0.175 0.000 1.347 158 I CB -0.993 36.757 38.000 -0.415 0.000 1.044 158 I HN 0.109 nan 8.210 nan 0.000 0.408 159 P HA -0.185 nan 4.420 nan 0.000 0.214 159 P C 1.927 179.260 177.300 0.056 0.000 1.163 159 P CA 1.602 64.761 63.100 0.098 0.000 0.889 159 P CB -0.023 31.704 31.700 0.045 0.000 0.790 160 L N -1.490 119.737 121.223 0.008 0.000 2.046 160 L HA -0.166 4.174 4.340 0.000 0.000 0.208 160 L C 2.532 179.358 176.870 -0.074 0.000 1.077 160 L CA 1.361 56.191 54.840 -0.015 0.000 0.747 160 L CB -0.886 41.173 42.059 -0.000 0.000 0.896 160 L HN -0.086 nan 8.230 nan 0.000 0.432 161 I N -0.833 119.677 120.570 -0.100 0.000 2.163 161 I HA -0.353 3.817 4.170 0.000 0.000 0.243 161 I C 2.485 178.475 176.117 -0.211 0.000 1.085 161 I CA 1.589 62.781 61.300 -0.181 0.000 1.347 161 I CB -0.632 37.269 38.000 -0.164 0.000 1.044 161 I HN 0.297 nan 8.210 nan 0.000 0.408 162 H N 0.530 119.551 119.070 -0.082 0.000 2.289 162 H HA -0.208 4.348 4.556 0.000 0.000 0.294 162 H C 2.537 177.806 175.328 -0.099 0.000 1.095 162 H CA 1.929 57.931 56.048 -0.078 0.000 1.256 162 H CB -0.103 29.630 29.762 -0.047 0.000 1.359 162 H HN 0.207 nan 8.280 nan 0.000 0.487 163 R N 0.208 120.730 120.500 0.037 0.000 2.096 163 R HA -0.086 4.254 4.340 0.000 0.000 0.235 163 R C 2.615 178.855 176.300 -0.100 0.000 1.127 163 R CA 0.835 56.926 56.100 -0.014 0.000 0.968 163 R CB -0.223 30.075 30.300 -0.003 0.000 0.861 163 R HN 0.311 nan 8.270 nan 0.000 0.440 164 A N 1.500 124.169 122.820 -0.252 0.000 1.865 164 A HA -0.169 4.151 4.320 0.000 0.000 0.217 164 A C 2.165 179.502 177.584 -0.412 0.000 1.191 164 A CA 1.355 53.029 52.037 -0.604 0.000 0.623 164 A CB -0.650 17.612 19.000 -1.230 0.000 0.826 164 A HN 0.173 nan 8.150 nan 0.000 0.444 165 L N -1.322 119.741 121.223 -0.266 0.000 2.017 165 L HA -0.246 4.094 4.340 0.000 0.000 0.208 165 L C 2.890 179.737 176.870 -0.039 0.000 1.073 165 L CA 1.888 56.656 54.840 -0.121 0.000 0.745 165 L CB -0.993 41.021 42.059 -0.076 0.000 0.894 165 L HN 0.539 nan 8.230 nan 0.000 0.432 166 Q N 0.088 119.876 119.800 -0.021 0.000 2.133 166 Q HA -0.232 4.108 4.340 0.000 0.000 0.208 166 Q C 2.262 178.273 176.000 0.017 0.000 0.991 166 Q CA 1.539 57.345 55.803 0.005 0.000 0.867 166 Q CB 0.035 28.777 28.738 0.007 0.000 0.911 166 Q HN 0.458 nan 8.270 nan 0.000 0.417 167 L N -0.360 120.873 121.223 0.016 0.000 2.341 167 L HA 0.143 4.483 4.340 0.000 0.000 0.214 167 L C 0.862 177.792 176.870 0.101 0.000 1.115 167 L CA 0.315 55.192 54.840 0.062 0.000 0.820 167 L CB -0.661 41.450 42.059 0.085 0.000 0.944 167 L HN 0.106 nan 8.230 nan 0.000 0.452 168 A N -0.193 122.686 122.820 0.099 0.000 2.401 168 A HA 0.073 4.393 4.320 0.000 0.000 0.259 168 A C 1.187 178.833 177.584 0.105 0.000 1.103 168 A CA -0.142 51.985 52.037 0.149 0.000 0.789 168 A CB 0.668 19.762 19.000 0.156 0.000 1.035 168 A HN 0.313 nan 8.150 nan 0.000 0.491 169 Q N 1.147 121.011 119.800 0.107 0.000 2.212 169 Q HA -0.014 4.326 4.340 0.000 0.000 0.199 169 Q C 0.440 176.486 176.000 0.077 0.000 0.950 169 Q CA 0.674 56.527 55.803 0.084 0.000 0.863 169 Q CB 0.123 28.911 28.738 0.082 0.000 0.944 169 Q HN 0.806 nan 8.270 nan 0.000 0.465 170 R N 1.720 122.271 120.500 0.084 0.000 2.531 170 R HA 0.263 4.603 4.340 0.000 0.000 0.273 170 R C -2.286 174.050 176.300 0.059 0.000 1.070 170 R CA -1.757 54.384 56.100 0.068 0.000 1.112 170 R CB 0.050 30.392 30.300 0.070 0.000 1.049 170 R HN 0.117 nan 8.270 nan 0.000 0.508 171 P HA 0.030 nan 4.420 nan 0.000 0.271 171 P C -0.637 176.669 177.300 0.009 0.000 1.226 171 P CA -0.018 63.093 63.100 0.018 0.000 0.765 171 P CB 0.785 32.488 31.700 0.005 0.000 0.835 172 V N 3.395 123.315 119.914 0.011 0.000 2.472 172 V HA 0.241 4.361 4.120 0.000 0.000 0.290 172 V C 0.571 176.646 176.094 -0.033 0.000 1.037 172 V CA -0.189 62.120 62.300 0.016 0.000 0.908 172 V CB 1.533 33.382 31.823 0.042 0.000 0.985 172 V HN 0.538 nan 8.190 nan 0.000 0.454 173 S N 5.476 121.139 115.700 -0.062 0.000 2.462 173 S HA 0.668 5.138 4.470 0.000 0.000 0.294 173 S C -0.442 174.188 174.600 0.050 0.000 1.144 173 S CA -0.548 57.620 58.200 -0.053 0.000 1.088 173 S CB 1.017 64.025 63.200 -0.320 0.000 1.009 173 S HN 0.481 nan 8.310 nan 0.000 0.484 174 L N 3.277 124.526 121.223 0.043 0.000 2.307 174 L HA 0.603 4.943 4.340 0.000 0.000 0.282 174 L C -0.633 176.460 176.870 0.371 0.000 1.051 174 L CA -0.861 53.963 54.840 -0.027 0.000 0.804 174 L CB 0.947 42.555 42.059 -0.751 0.000 1.197 174 L HN 0.431 nan 8.230 nan 0.000 0.431 175 L N 3.096 124.594 121.223 0.459 0.000 2.386 175 L HA 0.870 5.210 4.340 0.000 0.000 0.271 175 L C -0.636 176.491 176.870 0.429 0.000 0.993 175 L CA -0.212 54.884 54.840 0.427 0.000 0.819 175 L CB 1.740 43.991 42.059 0.320 0.000 1.294 175 L HN 0.650 nan 8.230 nan 0.000 0.414 176 A N 2.961 125.886 122.820 0.175 0.000 2.350 176 A HA 0.902 5.222 4.320 0.000 0.000 0.324 176 A C -0.824 176.700 177.584 -0.100 0.000 1.118 176 A CA -0.477 51.529 52.037 -0.053 0.000 0.783 176 A CB 1.273 19.937 19.000 -0.560 0.000 1.236 176 A HN 0.702 nan 8.150 nan 0.000 0.457 177 S N 2.920 118.604 115.700 -0.026 0.000 2.557 177 S HA 0.739 5.209 4.470 0.000 0.000 0.291 177 S C -2.951 171.652 174.600 0.005 0.000 1.116 177 S CA -1.020 57.149 58.200 -0.052 0.000 0.992 177 S CB 2.081 65.228 63.200 -0.089 0.000 1.028 177 S HN 0.649 nan 8.310 nan 0.000 0.484 178 P HA 0.267 nan 4.420 nan 0.000 0.286 178 P C 0.042 177.418 177.300 0.127 0.000 1.261 178 P CA -0.637 62.482 63.100 0.031 0.000 0.821 178 P CB 1.201 32.860 31.700 -0.068 0.000 1.013 179 W N 0.577 121.864 121.300 -0.023 0.000 2.846 179 W HA 0.052 4.712 4.660 0.000 0.000 0.273 179 W C 0.832 177.340 176.519 -0.019 0.000 1.081 179 W CA 0.724 58.082 57.345 0.021 0.000 1.692 179 W CB 0.269 29.772 29.460 0.071 0.000 1.106 179 W HN 0.243 nan 8.180 nan 0.000 0.577 180 T N 0.099 114.732 114.554 0.132 0.000 2.916 180 T HA 0.363 4.713 4.350 0.000 0.000 0.292 180 T C -0.082 174.393 174.700 -0.375 0.000 1.064 180 T CA -0.402 61.621 62.100 -0.128 0.000 1.011 180 T CB 1.561 70.359 68.868 -0.117 0.000 1.152 180 T HN -0.047 nan 8.240 nan 0.000 0.510 181 S N 2.732 117.937 115.700 -0.825 0.000 2.693 181 S HA 0.656 5.126 4.470 0.000 0.000 0.276 181 S C -2.745 171.424 174.600 -0.719 0.000 1.192 181 S CA -1.278 56.142 58.200 -1.300 0.000 0.994 181 S CB 0.393 62.415 63.200 -1.963 0.000 1.012 181 S HN 0.553 nan 8.310 nan 0.000 0.550 182 P HA -0.025 nan 4.420 nan 0.000 0.265 182 P C 1.208 178.139 177.300 -0.614 0.000 1.167 182 P CA 0.518 63.282 63.100 -0.559 0.000 0.760 182 P CB 0.186 31.310 31.700 -0.960 0.000 0.783 183 T N 0.009 114.369 114.554 -0.323 0.000 3.035 183 T HA -0.103 4.247 4.350 0.000 0.000 0.268 183 T C 1.385 175.990 174.700 -0.158 0.000 1.109 183 T CA 0.486 62.454 62.100 -0.220 0.000 1.119 183 T CB -0.701 68.118 68.868 -0.081 0.000 0.900 183 T HN 0.567 nan 8.240 nan 0.000 0.503 184 W N 0.958 122.199 121.300 -0.100 0.000 2.519 184 W HA 0.205 4.865 4.660 0.000 0.000 0.266 184 W C 1.120 177.607 176.519 -0.053 0.000 1.253 184 W CA -0.235 57.069 57.345 -0.067 0.000 1.274 184 W CB -0.920 28.504 29.460 -0.061 0.000 1.114 184 W HN 0.249 nan 8.180 nan 0.000 0.596 185 L N 0.948 121.869 121.223 -0.505 0.000 2.599 185 L HA 0.100 4.440 4.340 0.000 0.000 0.230 185 L C 0.852 177.483 176.870 -0.398 0.000 1.141 185 L CA 0.875 55.490 54.840 -0.375 0.000 0.877 185 L CB -0.422 41.227 42.059 -0.682 0.000 1.009 185 L HN -0.210 nan 8.230 nan 0.000 0.447 186 K N -0.699 119.487 120.400 -0.357 0.000 2.118 186 K HA 0.199 4.519 4.320 0.000 0.000 0.254 186 K C 1.245 177.690 176.600 -0.258 0.000 0.961 186 K CA 0.039 56.116 56.287 -0.350 0.000 0.876 186 K CB 1.754 34.058 32.500 -0.328 0.000 1.077 186 K HN -0.100 nan 8.250 nan 0.000 0.440 187 T N -1.742 112.661 114.554 -0.252 0.000 2.915 187 T HA -0.129 4.221 4.350 0.000 0.000 0.269 187 T C 1.102 175.726 174.700 -0.127 0.000 1.071 187 T CA 1.338 63.325 62.100 -0.189 0.000 1.132 187 T CB -0.177 68.590 68.868 -0.168 0.000 0.878 187 T HN 0.656 nan 8.240 nan 0.000 0.479 188 N N 1.021 119.649 118.700 -0.120 0.000 2.236 188 N HA 0.182 4.922 4.740 0.000 0.000 0.196 188 N C 1.418 176.892 175.510 -0.060 0.000 1.114 188 N CA 0.470 53.474 53.050 -0.077 0.000 0.859 188 N CB -0.521 37.926 38.487 -0.067 0.000 0.982 188 N HN 0.602 nan 8.380 nan 0.000 0.493 189 G N 0.074 108.828 108.800 -0.076 0.000 2.390 189 G HA2 -0.027 3.933 3.960 0.000 0.000 0.299 189 G HA3 -0.027 3.933 3.960 0.000 0.000 0.299 189 G C 0.005 174.884 174.900 -0.035 0.000 1.002 189 G CA 0.585 45.659 45.100 -0.045 0.000 0.979 189 G HN 0.890 nan 8.290 nan 0.000 0.513 190 A N -1.618 121.168 122.820 -0.056 0.000 2.539 190 A HA 0.856 5.176 4.320 0.000 0.000 0.296 190 A C 1.111 178.668 177.584 -0.045 0.000 1.073 190 A CA 0.215 52.233 52.037 -0.031 0.000 0.700 190 A CB 1.135 20.131 19.000 -0.006 0.000 1.296 190 A HN 1.466 nan 8.150 nan 0.000 0.405 191 V N -0.656 119.247 119.914 -0.017 0.000 2.667 191 V HA 0.014 4.134 4.120 0.000 0.000 0.252 191 V C 0.833 176.969 176.094 0.070 0.000 1.065 191 V CA 1.860 64.156 62.300 -0.007 0.000 1.083 191 V CB -1.566 30.257 31.823 -0.000 0.000 0.692 191 V HN 0.921 nan 8.190 nan 0.000 0.468 192 N N 0.710 119.477 118.700 0.112 0.000 3.040 192 N HA 0.605 5.345 4.740 0.000 0.000 0.339 192 N C 0.633 176.191 175.510 0.080 0.000 1.387 192 N CA 0.213 53.351 53.050 0.147 0.000 0.745 192 N CB -0.018 38.583 38.487 0.190 0.000 1.237 192 N HN 0.876 nan 8.380 nan 0.000 0.565 193 G N -0.446 108.410 108.800 0.094 0.000 2.916 193 G HA2 -0.246 3.714 3.960 0.000 0.000 0.533 193 G HA3 -0.246 3.714 3.960 0.000 0.000 0.533 193 G C -0.606 174.305 174.900 0.019 0.000 1.516 193 G CA 0.057 45.191 45.100 0.056 0.000 0.944 193 G HN 0.916 nan 8.290 nan 0.000 0.555 194 K N 0.445 120.842 120.400 -0.004 0.000 2.451 194 K HA 0.524 4.844 4.320 0.000 0.000 0.280 194 K C 0.626 177.184 176.600 -0.071 0.000 1.020 194 K CA 0.667 56.928 56.287 -0.044 0.000 1.008 194 K CB -0.071 32.408 32.500 -0.035 0.000 0.917 194 K HN 2.156 nan 8.250 nan 0.000 0.478 195 G N 1.799 110.533 108.800 -0.110 0.000 2.368 195 G HA2 0.196 4.156 3.960 0.000 0.000 0.301 195 G HA3 0.196 4.156 3.960 0.000 0.000 0.301 195 G C -1.235 173.529 174.900 -0.227 0.000 1.640 195 G CA -0.314 44.698 45.100 -0.147 0.000 0.941 195 G HN 0.742 nan 8.290 nan 0.000 0.695 196 S N 0.117 115.657 115.700 -0.266 0.000 2.837 196 S HA 0.852 5.322 4.470 0.000 0.000 0.314 196 S C 0.186 174.510 174.600 -0.461 0.000 1.098 196 S CA -1.006 56.944 58.200 -0.415 0.000 0.903 196 S CB 0.963 63.968 63.200 -0.324 0.000 1.310 196 S HN 0.835 nan 8.310 nan 0.000 0.581 197 L N 1.427 122.293 121.223 -0.595 0.000 2.467 197 L HA 0.310 4.650 4.340 0.000 0.000 0.270 197 L C 0.575 177.245 176.870 -0.334 0.000 1.205 197 L CA -0.353 54.141 54.840 -0.577 0.000 0.828 197 L CB 0.293 41.806 42.059 -0.909 0.000 1.101 197 L HN 0.646 nan 8.230 nan 0.000 0.479 198 K N 1.281 121.419 120.400 -0.437 0.000 2.180 198 K HA 0.382 4.702 4.320 0.000 0.000 0.251 198 K C 0.800 177.326 176.600 -0.124 0.000 1.014 198 K CA 0.223 56.198 56.287 -0.519 0.000 0.913 198 K CB 0.385 32.100 32.500 -1.308 0.000 1.008 198 K HN 0.791 nan 8.250 nan 0.000 0.490 199 G N 0.908 109.679 108.800 -0.047 0.000 2.594 199 G HA2 -0.319 3.641 3.960 0.000 0.000 0.297 199 G HA3 -0.319 3.641 3.960 0.000 0.000 0.297 199 G C -0.790 174.175 174.900 0.109 0.000 1.273 199 G CA 0.836 46.014 45.100 0.129 0.000 0.974 199 G HN 0.634 nan 8.290 nan 0.000 0.552 200 Q N -1.334 118.478 119.800 0.021 0.000 2.648 200 Q HA 0.677 5.017 4.340 0.000 0.000 0.300 200 Q C -3.103 172.503 176.000 -0.656 0.000 0.954 200 Q CA -1.712 53.881 55.803 -0.350 0.000 0.757 200 Q CB 0.024 28.593 28.738 -0.281 0.000 1.482 200 Q HN 0.523 nan 8.270 nan 0.000 0.437 201 P HA 0.106 nan 4.420 nan 0.000 0.264 201 P C 0.643 177.854 177.300 -0.149 0.000 1.173 201 P CA 2.190 65.025 63.100 -0.443 0.000 0.761 201 P CB 0.230 31.862 31.700 -0.112 0.000 0.794 202 G N 1.519 110.330 108.800 0.017 0.000 2.317 202 G HA2 -0.215 3.745 3.960 0.000 0.000 0.227 202 G HA3 -0.215 3.745 3.960 0.000 0.000 0.227 202 G C 0.223 175.175 174.900 0.088 0.000 1.042 202 G CA 0.371 45.499 45.100 0.046 0.000 0.623 202 G HN 0.734 nan 8.290 nan 0.000 0.509 203 D N 0.328 120.797 120.400 0.116 0.000 2.414 203 D HA 0.426 5.066 4.640 0.000 0.000 0.259 203 D C 1.792 178.193 176.300 0.168 0.000 1.269 203 D CA -0.201 53.881 54.000 0.136 0.000 1.028 203 D CB 0.162 41.069 40.800 0.178 0.000 1.093 203 D HN 0.276 nan 8.370 nan 0.000 0.545 204 I N -0.892 119.685 120.570 0.012 0.000 2.439 204 I HA -0.226 3.944 4.170 0.000 0.000 0.251 204 I C 1.531 177.705 176.117 0.095 0.000 1.139 204 I CA 0.753 62.007 61.300 -0.077 0.000 1.438 204 I CB -0.062 37.682 38.000 -0.426 0.000 1.085 204 I HN 0.335 nan 8.210 nan 0.000 0.427 205 Y N 0.067 120.570 120.300 0.338 0.000 2.114 205 Y HA -0.304 4.246 4.550 0.000 0.000 0.284 205 Y C 2.574 178.623 175.900 0.248 0.000 1.143 205 Y CA 1.981 60.282 58.100 0.334 0.000 1.135 205 Y CB -0.722 37.856 38.460 0.197 0.000 0.980 205 Y HN 0.232 nan 8.280 nan 0.000 0.499 206 H N -0.756 118.563 119.070 0.415 0.000 2.326 206 H HA -0.141 4.415 4.556 0.000 0.000 0.301 206 H C 2.179 177.807 175.328 0.499 0.000 1.081 206 H CA 1.530 57.858 56.048 0.467 0.000 1.334 206 H CB -0.211 29.826 29.762 0.460 0.000 1.385 206 H HN 0.206 nan 8.280 nan 0.000 0.504 207 Q N 0.080 120.151 119.800 0.451 0.000 2.077 207 Q HA -0.141 4.199 4.340 0.000 0.000 0.206 207 Q C 2.286 178.489 176.000 0.337 0.000 0.989 207 Q CA 1.947 57.938 55.803 0.313 0.000 0.853 207 Q CB -0.639 28.221 28.738 0.205 0.000 0.907 207 Q HN 0.506 nan 8.270 nan 0.000 0.418 208 T N 0.596 115.386 114.554 0.393 0.000 2.652 208 T HA -0.185 4.165 4.350 0.000 0.000 0.267 208 T C 1.273 176.269 174.700 0.493 0.000 1.039 208 T CA 1.197 63.553 62.100 0.427 0.000 1.153 208 T CB -0.527 68.645 68.868 0.507 0.000 0.863 208 T HN 0.517 nan 8.240 nan 0.000 0.428 209 W N 1.710 123.161 121.300 0.252 0.000 2.338 209 W HA -0.181 4.480 4.660 0.000 0.000 0.304 209 W C 2.624 179.458 176.519 0.525 0.000 1.212 209 W CA 0.904 58.404 57.345 0.258 0.000 1.264 209 W CB -0.267 29.231 29.460 0.063 0.000 1.142 209 W HN 0.312 nan 8.180 nan 0.000 0.512 210 A N 0.821 123.949 122.820 0.513 0.000 1.908 210 A HA -0.279 4.041 4.320 0.000 0.000 0.218 210 A C 1.938 179.632 177.584 0.183 0.000 1.181 210 A CA 2.076 54.254 52.037 0.234 0.000 0.627 210 A CB -1.056 18.008 19.000 0.107 0.000 0.818 210 A HN 0.418 nan 8.150 nan 0.000 0.445 211 R N -2.322 118.308 120.500 0.218 0.000 2.148 211 R HA -0.126 4.214 4.340 0.000 0.000 0.227 211 R C 1.950 178.317 176.300 0.112 0.000 1.103 211 R CA 1.357 57.540 56.100 0.139 0.000 0.983 211 R CB -0.429 29.957 30.300 0.143 0.000 0.874 211 R HN 0.674 nan 8.270 nan 0.000 0.451 212 Y N 0.055 120.384 120.300 0.047 0.000 2.128 212 Y HA -0.288 4.262 4.550 0.000 0.000 0.284 212 Y C 1.523 177.354 175.900 -0.114 0.000 1.154 212 Y CA 1.965 60.051 58.100 -0.022 0.000 1.149 212 Y CB -0.314 38.120 38.460 -0.043 0.000 0.976 212 Y HN -0.015 nan 8.280 nan 0.000 0.505 213 F N -0.762 119.142 119.950 -0.077 0.000 2.091 213 F HA -0.319 4.208 4.527 0.000 0.000 0.299 213 F C 2.418 178.169 175.800 -0.083 0.000 1.103 213 F CA 1.907 59.840 58.000 -0.112 0.000 1.228 213 F CB -1.208 37.661 39.000 -0.219 0.000 0.984 213 F HN -0.106 nan 8.300 nan 0.000 0.477 214 V N -0.065 119.905 119.914 0.093 0.000 2.295 214 V HA -0.269 3.851 4.120 0.000 0.000 0.246 214 V C 2.442 178.477 176.094 -0.098 0.000 1.049 214 V CA 1.630 63.953 62.300 0.039 0.000 1.024 214 V CB -0.537 31.325 31.823 0.065 0.000 0.648 214 V HN 0.212 nan 8.190 nan 0.000 0.447 215 K N -0.297 119.921 120.400 -0.304 0.000 2.063 215 K HA -0.197 4.124 4.320 0.000 0.000 0.208 215 K C 2.040 178.283 176.600 -0.595 0.000 1.048 215 K CA 1.752 57.635 56.287 -0.673 0.000 0.928 215 K CB -0.863 30.761 32.500 -1.460 0.000 0.713 215 K HN 0.525 nan 8.250 nan 0.000 0.442 216 F N 1.764 121.407 119.950 -0.511 0.000 2.069 216 F HA -0.180 4.347 4.527 0.000 0.000 0.298 216 F C 2.076 177.781 175.800 -0.158 0.000 1.113 216 F CA 1.265 59.173 58.000 -0.153 0.000 1.214 216 F CB -0.441 38.454 39.000 -0.175 0.000 0.978 216 F HN -0.112 nan 8.300 nan 0.000 0.474 217 L N 0.174 121.200 121.223 -0.328 0.000 2.017 217 L HA -0.250 4.090 4.340 0.000 0.000 0.208 217 L C 2.307 178.945 176.870 -0.387 0.000 1.073 217 L CA 1.611 56.133 54.840 -0.530 0.000 0.745 217 L CB -0.851 40.761 42.059 -0.745 0.000 0.894 217 L HN 0.115 nan 8.230 nan 0.000 0.432 218 D N 0.012 120.319 120.400 -0.155 0.000 2.116 218 D HA -0.232 4.408 4.640 0.000 0.000 0.193 218 D C 2.164 178.470 176.300 0.010 0.000 0.998 218 D CA 1.704 55.744 54.000 0.067 0.000 0.836 218 D CB -0.091 40.729 40.800 0.033 0.000 0.951 218 D HN 0.389 nan 8.370 nan 0.000 0.449 219 A N -0.210 122.584 122.820 -0.043 0.000 1.930 219 A HA -0.178 4.142 4.320 0.000 0.000 0.217 219 A C 1.972 179.600 177.584 0.073 0.000 1.175 219 A CA 0.970 53.024 52.037 0.030 0.000 0.627 219 A CB -0.863 18.170 19.000 0.054 0.000 0.815 219 A HN 0.234 nan 8.150 nan 0.000 0.443 220 Y N -0.345 119.846 120.300 -0.181 0.000 2.516 220 Y HA 0.121 4.671 4.550 0.000 0.000 0.291 220 Y C 2.635 178.560 175.900 0.041 0.000 1.131 220 Y CA 0.342 58.396 58.100 -0.077 0.000 1.281 220 Y CB -0.174 38.210 38.460 -0.128 0.000 1.013 220 Y HN 0.349 nan 8.280 nan 0.000 0.554 221 A N -0.091 122.814 122.820 0.142 0.000 1.930 221 A HA -0.127 4.193 4.320 0.000 0.000 0.215 221 A C 2.000 179.628 177.584 0.073 0.000 1.176 221 A CA 1.331 53.444 52.037 0.127 0.000 0.632 221 A CB -0.385 18.722 19.000 0.178 0.000 0.819 221 A HN 0.456 nan 8.150 nan 0.000 0.445 222 E N -0.324 119.892 120.200 0.027 0.000 2.160 222 E HA -0.171 4.179 4.350 0.000 0.000 0.195 222 E C 0.729 177.218 176.600 -0.185 0.000 0.991 222 E CA 1.085 57.428 56.400 -0.095 0.000 0.810 222 E CB -0.263 29.340 29.700 -0.163 0.000 0.742 222 E HN 0.716 nan 8.360 nan 0.000 0.466 223 H N 0.692 119.742 119.070 -0.034 0.000 2.610 223 H HA 0.164 4.720 4.556 0.000 0.000 0.302 223 H C -0.219 175.177 175.328 0.112 0.000 1.063 223 H CA 0.109 56.161 56.048 0.006 0.000 1.159 223 H CB -0.019 29.685 29.762 -0.097 0.000 1.427 223 H HN 0.058 nan 8.280 nan 0.000 0.553 224 K N 0.837 121.326 120.400 0.147 0.000 3.148 224 K HA -0.178 4.142 4.320 0.000 0.000 0.267 224 K C -0.744 175.950 176.600 0.157 0.000 0.996 224 K CA 0.332 56.706 56.287 0.145 0.000 0.737 224 K CB -1.436 31.140 32.500 0.128 0.000 1.308 224 K HN 0.347 nan 8.250 nan 0.000 0.470 225 L N 0.677 121.966 121.223 0.110 0.000 2.385 225 L HA 0.359 4.699 4.340 0.000 0.000 0.273 225 L C -0.145 176.744 176.870 0.031 0.000 0.990 225 L CA -0.996 53.859 54.840 0.024 0.000 0.821 225 L CB 1.995 44.051 42.059 -0.005 0.000 1.279 225 L HN 0.017 nan 8.230 nan 0.000 0.412 226 Q N 1.367 121.138 119.800 -0.048 0.000 2.266 226 Q HA 0.598 4.938 4.340 0.000 0.000 0.261 226 Q C -1.436 174.496 176.000 -0.114 0.000 0.985 226 Q CA -0.264 55.549 55.803 0.016 0.000 0.873 226 Q CB 1.925 30.684 28.738 0.035 0.000 1.306 226 Q HN 0.281 nan 8.270 nan 0.000 0.447 227 F N 1.317 121.272 119.950 0.008 0.000 2.422 227 F HA 0.237 4.764 4.527 0.000 0.000 0.333 227 F C 0.512 176.355 175.800 0.071 0.000 1.095 227 F CA -0.540 57.481 58.000 0.035 0.000 1.038 227 F CB 0.928 39.922 39.000 -0.009 0.000 1.156 227 F HN 0.773 nan 8.300 nan 0.000 0.483 228 W N 3.369 124.716 121.300 0.078 0.000 2.494 228 W HA 0.496 5.156 4.660 0.000 0.000 0.286 228 W C -0.313 176.206 176.519 0.000 0.000 1.218 228 W CA 0.864 58.211 57.345 0.004 0.000 1.313 228 W CB 0.066 29.500 29.460 -0.044 0.000 1.105 228 W HN 0.455 nan 8.180 nan 0.000 0.561 229 A N 0.388 122.961 122.820 -0.412 0.000 2.608 229 A HA 0.556 4.876 4.320 0.000 0.000 0.292 229 A C -1.248 176.146 177.584 -0.318 0.000 1.066 229 A CA -0.241 51.357 52.037 -0.731 0.000 0.676 229 A CB 0.658 18.634 19.000 -1.707 0.000 1.277 229 A HN 0.572 nan 8.150 nan 0.000 0.413 230 V N -1.210 118.529 119.914 -0.292 0.000 2.960 230 V HA 0.963 5.083 4.120 0.000 0.000 0.315 230 V C -0.025 175.960 176.094 -0.181 0.000 1.087 230 V CA -0.079 62.117 62.300 -0.173 0.000 0.982 230 V CB 1.546 33.340 31.823 -0.048 0.000 1.039 230 V HN 1.591 nan 8.190 nan 0.000 0.437 231 T N -0.088 114.398 114.554 -0.113 0.000 2.829 231 T HA 0.684 5.034 4.350 0.000 0.000 0.282 231 T C 1.163 175.829 174.700 -0.058 0.000 0.990 231 T CA 0.025 62.047 62.100 -0.130 0.000 1.028 231 T CB 1.498 70.273 68.868 -0.156 0.000 0.951 231 T HN 1.619 nan 8.240 nan 0.000 0.460 232 A N 1.603 124.341 122.820 -0.138 0.000 2.093 232 A HA 0.100 4.420 4.320 0.000 0.000 0.222 232 A C 0.907 178.448 177.584 -0.072 0.000 1.162 232 A CA 1.805 53.754 52.037 -0.147 0.000 0.655 232 A CB -0.854 18.026 19.000 -0.200 0.000 0.805 232 A HN 1.142 nan 8.150 nan 0.000 0.461 233 E N -2.193 117.923 120.200 -0.140 0.000 2.972 233 E HA 0.161 4.511 4.350 0.000 0.000 0.311 233 E C -1.092 175.316 176.600 -0.319 0.000 1.132 233 E CA -0.074 56.224 56.400 -0.170 0.000 0.912 233 E CB -0.469 29.050 29.700 -0.301 0.000 1.174 233 E HN 0.305 nan 8.360 nan 0.000 0.462 234 N N 3.054 121.486 118.700 -0.447 0.000 2.497 234 N HA 0.206 4.946 4.740 0.000 0.000 0.268 234 N C -0.738 174.401 175.510 -0.619 0.000 1.171 234 N CA 0.310 52.943 53.050 -0.695 0.000 0.948 234 N CB 0.574 38.205 38.487 -1.427 0.000 1.069 234 N HN 0.645 nan 8.380 nan 0.000 0.460 235 E N 1.517 121.340 120.200 -0.629 0.000 2.131 235 E HA -0.192 4.158 4.350 0.000 0.000 0.166 235 E C -1.669 174.688 176.600 -0.405 0.000 1.514 235 E CA -0.048 56.023 56.400 -0.550 0.000 0.646 235 E CB -0.147 29.300 29.700 -0.422 0.000 1.051 235 E HN 0.665 nan 8.360 nan 0.000 0.315 236 P HA -0.250 nan 4.420 nan 0.000 0.218 236 P C 1.420 178.665 177.300 -0.091 0.000 1.148 236 P CA 1.803 64.834 63.100 -0.115 0.000 0.822 236 P CB 0.059 31.755 31.700 -0.008 0.000 0.784 237 S N 0.001 115.573 115.700 -0.212 0.000 2.419 237 S HA -0.061 4.409 4.470 0.000 0.000 0.233 237 S C 2.159 176.628 174.600 -0.218 0.000 1.016 237 S CA 1.042 59.169 58.200 -0.121 0.000 0.974 237 S CB -1.233 61.870 63.200 -0.161 0.000 0.786 237 S HN 0.138 nan 8.310 nan 0.000 0.492 238 A N 1.544 124.133 122.820 -0.385 0.000 1.969 238 A HA 0.297 4.617 4.320 0.000 0.000 0.218 238 A C 2.277 179.459 177.584 -0.669 0.000 1.169 238 A CA 1.172 52.770 52.037 -0.730 0.000 0.635 238 A CB -1.490 16.838 19.000 -1.120 0.000 0.810 238 A HN 0.680 nan 8.150 nan 0.000 0.445 239 G N -0.599 107.977 108.800 -0.373 0.000 2.776 239 G HA2 0.132 4.092 3.960 0.000 0.000 0.209 239 G HA3 0.132 4.092 3.960 0.000 0.000 0.209 239 G C 1.133 175.936 174.900 -0.162 0.000 1.145 239 G CA 0.630 45.593 45.100 -0.228 0.000 0.791 239 G HN 0.469 nan 8.290 nan 0.000 0.530 240 L N -0.099 121.034 121.223 -0.150 0.000 2.607 240 L HA 0.369 4.709 4.340 0.000 0.000 0.228 240 L C 0.378 177.204 176.870 -0.073 0.000 1.123 240 L CA -0.109 54.682 54.840 -0.083 0.000 0.890 240 L CB 0.018 42.059 42.059 -0.031 0.000 1.103 240 L HN 0.037 nan 8.230 nan 0.000 0.468 241 L N 0.733 121.894 121.223 -0.103 0.000 2.264 241 L HA 0.433 4.773 4.340 0.000 0.000 0.289 241 L C 0.979 177.853 176.870 0.006 0.000 1.044 241 L CA -0.386 54.430 54.840 -0.041 0.000 0.807 241 L CB 1.035 43.074 42.059 -0.033 0.000 1.192 241 L HN 0.115 nan 8.230 nan 0.000 0.425 242 S N 2.206 117.910 115.700 0.007 0.000 2.737 242 S HA 0.301 4.771 4.470 0.000 0.000 0.315 242 S C 1.350 175.967 174.600 0.028 0.000 1.236 242 S CA 0.438 58.645 58.200 0.012 0.000 1.093 242 S CB -0.278 nan 63.200 nan 0.000 0.832 242 S HN 1.082 nan 8.310 nan 0.000 0.507 243 G N 1.433 110.251 108.800 0.029 0.000 2.221 243 G HA2 -0.227 3.733 3.960 0.000 0.000 0.265 243 G HA3 -0.227 3.733 3.960 0.000 0.000 0.265 243 G C -0.036 174.873 174.900 0.016 0.000 1.041 243 G CA 0.326 45.439 45.100 0.021 0.000 0.807 243 G HN 1.260 nan 8.290 nan 0.000 0.502 244 Y N 1.207 121.441 120.300 -0.109 0.000 2.526 244 Y HA 0.363 4.913 4.550 0.000 0.000 0.330 244 Y C -0.420 175.347 175.900 -0.223 0.000 1.156 244 Y CA -0.873 57.109 58.100 -0.196 0.000 1.419 244 Y CB 1.171 39.513 38.460 -0.198 0.000 1.250 244 Y HN 0.096 nan 8.280 nan 0.000 0.540 245 P HA -0.020 nan 4.420 nan 0.000 0.230 245 P C -0.754 176.342 177.300 -0.341 0.000 1.168 245 P CA 0.876 63.689 63.100 -0.478 0.000 0.793 245 P CB 0.101 31.526 31.700 -0.458 0.000 0.851 246 F N -1.892 117.854 119.950 -0.339 0.000 2.613 246 F HA 0.680 5.207 4.527 0.000 0.000 0.342 246 F C 0.167 176.149 175.800 0.304 0.000 1.066 246 F CA -2.153 55.833 58.000 -0.024 0.000 1.002 246 F CB -0.474 38.434 39.000 -0.154 0.000 1.319 246 F HN -0.459 nan 8.300 nan 0.000 0.495 247 Q N 1.066 121.255 119.800 0.649 0.000 2.339 247 Q HA 0.328 4.668 4.340 0.000 0.000 0.308 247 Q C -0.289 176.027 176.000 0.525 0.000 1.097 247 Q CA 0.458 56.555 55.803 0.490 0.000 1.007 247 Q CB 0.004 28.973 28.738 0.385 0.000 1.051 247 Q HN 0.849 nan 8.270 nan 0.000 0.381 248 C N 0.523 119.987 119.300 0.273 0.000 3.320 248 C HA 0.888 5.348 4.460 0.000 0.000 0.335 248 C C -1.711 173.265 174.990 -0.022 0.000 1.430 248 C CA -1.268 57.827 59.018 0.128 0.000 1.271 248 C CB 0.941 28.734 27.740 0.088 0.000 1.609 248 C HN 0.768 nan 8.230 nan 0.000 0.457 249 L N 1.687 122.862 121.223 -0.081 0.000 2.753 249 L HA 0.669 5.009 4.340 0.000 0.000 0.259 249 L C 0.105 176.918 176.870 -0.095 0.000 0.958 249 L CA 0.483 55.227 54.840 -0.160 0.000 0.955 249 L CB 0.987 42.946 42.059 -0.168 0.000 1.317 249 L HN 1.440 nan 8.230 nan 0.000 0.436 250 G N 3.344 112.016 108.800 -0.213 0.000 2.378 250 G HA2 0.450 4.410 3.960 0.000 0.000 0.255 250 G HA3 0.450 4.410 3.960 0.000 0.000 0.255 250 G C -1.076 173.639 174.900 -0.308 0.000 1.270 250 G CA 0.071 45.079 45.100 -0.155 0.000 0.876 250 G HN 0.370 nan 8.290 nan 0.000 0.521 251 F N 0.486 120.363 119.950 -0.121 0.000 2.547 251 F HA 0.409 4.936 4.527 0.000 0.000 0.316 251 F C 0.899 176.759 175.800 0.101 0.000 1.121 251 F CA -0.852 57.081 58.000 -0.112 0.000 0.911 251 F CB 2.199 41.141 39.000 -0.098 0.000 1.179 251 F HN 0.631 nan 8.300 nan 0.000 0.443 252 T N -0.133 114.543 114.554 0.203 0.000 2.816 252 T HA 0.292 4.642 4.350 0.000 0.000 0.282 252 T C -2.093 172.432 174.700 -0.291 0.000 0.993 252 T CA -1.715 60.412 62.100 0.045 0.000 0.994 252 T CB 1.385 70.257 68.868 0.006 0.000 1.025 252 T HN 0.251 nan 8.240 nan 0.000 0.529 253 P HA -0.096 nan 4.420 nan 0.000 0.215 253 P C 1.278 178.220 177.300 -0.596 0.000 1.157 253 P CA 1.182 63.411 63.100 -1.452 0.000 0.874 253 P CB 0.013 30.856 31.700 -1.427 0.000 0.790 254 E N -1.850 118.148 120.200 -0.337 0.000 2.077 254 E HA -0.215 4.135 4.350 0.000 0.000 0.193 254 E C 2.107 178.704 176.600 -0.005 0.000 0.989 254 E CA 1.165 57.472 56.400 -0.154 0.000 0.800 254 E CB -1.156 28.479 29.700 -0.108 0.000 0.746 254 E HN 0.493 nan 8.360 nan 0.000 0.452 255 H N -0.027 119.008 119.070 -0.058 0.000 2.321 255 H HA -0.175 4.381 4.556 0.000 0.000 0.300 255 H C 2.273 177.772 175.328 0.286 0.000 1.087 255 H CA 1.604 57.708 56.048 0.094 0.000 1.319 255 H CB 0.230 30.040 29.762 0.079 0.000 1.379 255 H HN 0.173 nan 8.280 nan 0.000 0.501 256 Q N 0.767 120.779 119.800 0.353 0.000 2.084 256 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 256 Q C 2.556 178.645 176.000 0.148 0.000 0.978 256 Q CA 1.631 57.587 55.803 0.255 0.000 0.844 256 Q CB -0.137 28.643 28.738 0.071 0.000 0.898 256 Q HN 0.374 nan 8.270 nan 0.000 0.426 257 R N 0.084 120.590 120.500 0.011 0.000 2.112 257 R HA -0.212 4.128 4.340 0.000 0.000 0.242 257 R C 1.261 177.579 176.300 0.030 0.000 1.137 257 R CA 2.202 58.284 56.100 -0.030 0.000 0.944 257 R CB -0.331 29.916 30.300 -0.089 0.000 0.857 257 R HN 0.429 nan 8.270 nan 0.000 0.435 258 D N -0.443 120.013 120.400 0.093 0.000 2.194 258 D HA -0.129 4.511 4.640 0.000 0.000 0.204 258 D C 1.626 178.019 176.300 0.156 0.000 0.964 258 D CA 0.726 54.778 54.000 0.087 0.000 0.846 258 D CB -0.265 40.566 40.800 0.051 0.000 0.962 258 D HN 0.233 nan 8.370 nan 0.000 0.490 259 F N 1.920 121.980 119.950 0.182 0.000 2.186 259 F HA -0.076 4.451 4.527 0.000 0.000 0.299 259 F C 2.052 177.882 175.800 0.050 0.000 1.090 259 F CA 0.890 59.036 58.000 0.244 0.000 1.307 259 F CB -0.311 38.999 39.000 0.517 0.000 1.019 259 F HN -0.171 nan 8.300 nan 0.000 0.489 260 I N 0.120 120.546 120.570 -0.240 0.000 2.202 260 I HA -0.253 3.917 4.170 0.000 0.000 0.242 260 I C 2.705 178.624 176.117 -0.331 0.000 1.091 260 I CA 1.128 62.186 61.300 -0.403 0.000 1.368 260 I CB -1.078 36.797 38.000 -0.208 0.000 1.058 260 I HN 0.223 nan 8.210 nan 0.000 0.410 261 A N 1.084 123.826 122.820 -0.130 0.000 1.845 261 A HA -0.174 4.146 4.320 0.000 0.000 0.215 261 A C 2.426 179.953 177.584 -0.095 0.000 1.195 261 A CA 1.427 53.446 52.037 -0.030 0.000 0.616 261 A CB -0.433 18.576 19.000 0.014 0.000 0.832 261 A HN 0.253 nan 8.150 nan 0.000 0.443 262 R N -0.308 120.136 120.500 -0.094 0.000 2.062 262 R HA 0.001 4.341 4.340 0.000 0.000 0.226 262 R C 1.167 177.391 176.300 -0.127 0.000 1.125 262 R CA 1.549 57.608 56.100 -0.069 0.000 0.966 262 R CB -0.530 29.761 30.300 -0.015 0.000 0.861 262 R HN 0.638 nan 8.270 nan 0.000 0.433 263 D N -0.056 120.218 120.400 -0.210 0.000 3.032 263 D HA -0.036 4.604 4.640 0.000 0.000 0.280 263 D C 1.927 177.960 176.300 -0.446 0.000 1.381 263 D CA -0.036 53.837 54.000 -0.213 0.000 1.068 263 D CB -0.420 40.413 40.800 0.056 0.000 1.148 263 D HN -0.079 nan 8.370 nan 0.000 0.401 264 L N 2.083 122.798 121.223 -0.846 0.000 2.042 264 L HA -0.014 4.326 4.340 0.000 0.000 0.210 264 L C 2.175 178.616 176.870 -0.714 0.000 1.076 264 L CA 2.110 56.435 54.840 -0.858 0.000 0.749 264 L CB -1.038 40.266 42.059 -1.258 0.000 0.893 264 L HN 0.107 nan 8.230 nan 0.000 0.432 265 G N -0.388 107.889 108.800 -0.871 0.000 2.587 265 G HA2 -0.232 3.728 3.960 0.000 0.000 0.217 265 G HA3 -0.232 3.728 3.960 0.000 0.000 0.217 265 G C -0.619 173.543 174.900 -1.230 0.000 1.240 265 G CA 1.004 45.265 45.100 -1.399 0.000 0.794 265 G HN 0.360 nan 8.290 nan 0.000 0.580 266 P HA -0.140 nan 4.420 nan 0.000 0.213 266 P C 2.390 179.571 177.300 -0.198 0.000 1.170 266 P CA 2.833 65.728 63.100 -0.342 0.000 0.902 266 P CB -0.635 30.943 31.700 -0.203 0.000 0.789 267 T N -1.731 112.698 114.554 -0.209 0.000 2.684 267 T HA -0.178 4.172 4.350 0.000 0.000 0.267 267 T C 1.926 176.572 174.700 -0.089 0.000 1.036 267 T CA 1.205 63.236 62.100 -0.115 0.000 1.148 267 T CB -1.425 67.388 68.868 -0.093 0.000 0.863 267 T HN -0.009 nan 8.240 nan 0.000 0.436 268 L N 1.207 122.338 121.223 -0.152 0.000 1.970 268 L HA -0.108 4.232 4.340 0.000 0.000 0.212 268 L C 3.345 180.223 176.870 0.013 0.000 1.071 268 L CA 1.578 56.371 54.840 -0.078 0.000 0.751 268 L CB -0.936 41.032 42.059 -0.152 0.000 0.889 268 L HN 0.394 nan 8.230 nan 0.000 0.432 269 A N 0.003 122.828 122.820 0.007 0.000 1.873 269 A HA -0.305 4.015 4.320 0.000 0.000 0.218 269 A C 1.964 179.593 177.584 0.074 0.000 1.193 269 A CA 2.345 54.441 52.037 0.099 0.000 0.629 269 A CB -0.861 18.239 19.000 0.167 0.000 0.826 269 A HN 0.502 nan 8.150 nan 0.000 0.447 270 N N -0.017 118.699 118.700 0.026 0.000 2.626 270 N HA -0.044 4.696 4.740 0.000 0.000 0.193 270 N C 0.581 176.108 175.510 0.029 0.000 1.213 270 N CA 0.873 53.933 53.050 0.017 0.000 0.914 270 N CB -0.397 38.089 38.487 -0.002 0.000 0.994 270 N HN 0.639 nan 8.380 nan 0.000 0.447 271 S N -2.450 113.283 115.700 0.054 0.000 2.767 271 S HA 0.246 4.716 4.470 0.000 0.000 0.300 271 S C 1.267 175.874 174.600 0.012 0.000 1.123 271 S CA -0.092 58.120 58.200 0.019 0.000 0.992 271 S CB 0.845 64.062 63.200 0.028 0.000 1.138 271 S HN 0.188 nan 8.310 nan 0.000 0.550 272 T N -1.628 112.810 114.554 -0.192 0.000 3.160 272 T HA 0.090 4.440 4.350 0.000 0.000 0.257 272 T C 0.369 174.780 174.700 -0.481 0.000 1.147 272 T CA 0.484 62.406 62.100 -0.297 0.000 1.064 272 T CB -0.669 67.973 68.868 -0.377 0.000 0.949 272 T HN 0.724 nan 8.240 nan 0.000 0.526 273 H N 0.774 119.773 119.070 -0.119 0.000 2.472 273 H HA 0.212 4.768 4.556 0.000 0.000 0.287 273 H C 1.252 176.487 175.328 -0.154 0.000 1.112 273 H CA 0.168 56.127 56.048 -0.149 0.000 1.021 273 H CB -0.307 29.421 29.762 -0.056 0.000 1.635 273 H HN 0.773 nan 8.280 nan 0.000 0.559 274 H N -0.678 118.417 119.070 0.042 0.000 2.456 274 H HA -0.035 4.521 4.556 0.000 0.000 0.296 274 H C 1.381 176.713 175.328 0.007 0.000 1.079 274 H CA 0.958 57.016 56.048 0.017 0.000 1.322 274 H CB 0.024 29.788 29.762 0.002 0.000 1.388 274 H HN 0.075 nan 8.280 nan 0.000 0.538 275 N N 0.984 119.597 118.700 -0.145 0.000 2.396 275 N HA -0.039 4.701 4.740 0.000 0.000 0.180 275 N C -0.001 175.477 175.510 -0.055 0.000 1.028 275 N CA 0.520 53.551 53.050 -0.031 0.000 0.893 275 N CB 0.076 38.510 38.487 -0.089 0.000 0.967 275 N HN 0.192 nan 8.380 nan 0.000 0.440 276 V N 3.371 123.253 119.914 -0.053 0.000 2.617 276 V HA -0.064 4.056 4.120 0.000 0.000 0.304 276 V C 0.800 176.783 176.094 -0.185 0.000 1.040 276 V CA 0.112 62.355 62.300 -0.096 0.000 1.149 276 V CB 0.371 32.167 31.823 -0.045 0.000 0.914 276 V HN 0.135 nan 8.190 nan 0.000 0.487 277 R N 3.684 123.967 120.500 -0.362 0.000 2.357 277 R HA 0.437 4.777 4.340 0.000 0.000 0.296 277 R C -0.529 175.566 176.300 -0.342 0.000 1.052 277 R CA -0.874 54.985 56.100 -0.402 0.000 0.988 277 R CB 0.902 30.799 30.300 -0.671 0.000 1.025 277 R HN 0.507 nan 8.270 nan 0.000 0.469 278 L N 4.010 125.108 121.223 -0.208 0.000 2.275 278 L HA 0.390 4.730 4.340 0.000 0.000 0.288 278 L C -0.870 175.884 176.870 -0.193 0.000 1.046 278 L CA -0.131 54.581 54.840 -0.214 0.000 0.805 278 L CB 0.775 42.721 42.059 -0.189 0.000 1.193 278 L HN 0.447 nan 8.230 nan 0.000 0.426 279 L N 6.088 127.168 121.223 -0.237 0.000 2.317 279 L HA 0.578 4.918 4.340 0.000 0.000 0.281 279 L C 0.274 177.041 176.870 -0.172 0.000 1.024 279 L CA -0.683 54.035 54.840 -0.204 0.000 0.810 279 L CB 1.635 43.544 42.059 -0.250 0.000 1.240 279 L HN 0.757 nan 8.230 nan 0.000 0.427 280 M N 1.441 120.958 119.600 -0.140 0.000 2.705 280 M HA 0.510 4.990 4.480 0.000 0.000 0.272 280 M C 0.914 177.128 176.300 -0.143 0.000 1.172 280 M CA -0.427 54.804 55.300 -0.115 0.000 0.901 280 M CB 1.685 34.251 32.600 -0.058 0.000 1.516 280 M HN 0.620 nan 8.290 nan 0.000 0.530 281 L N -0.396 120.734 121.223 -0.155 0.000 3.911 281 L HA -0.388 3.952 4.340 0.000 0.000 0.053 281 L C 0.195 176.770 176.870 -0.491 0.000 4.160 281 L CA 2.378 56.957 54.840 -0.434 0.000 0.837 281 L CB -1.396 40.448 42.059 -0.359 0.000 3.418 281 L HN 1.189 nan 8.230 nan 0.000 0.897 282 D N 0.944 121.126 120.400 -0.364 0.000 2.697 282 D HA -0.133 4.507 4.640 0.000 0.000 0.238 282 D C -0.495 175.365 176.300 -0.733 0.000 1.152 282 D CA 1.591 55.379 54.000 -0.353 0.000 0.666 282 D CB -0.459 40.175 40.800 -0.276 0.000 1.037 282 D HN 0.558 nan 8.370 nan 0.000 0.423 283 D N -0.807 119.142 120.400 -0.752 0.000 2.752 283 D HA 0.286 4.926 4.640 0.000 0.000 0.313 283 D C -0.436 175.531 176.300 -0.555 0.000 1.225 283 D CA -0.486 52.986 54.000 -0.880 0.000 0.976 283 D CB 0.760 41.071 40.800 -0.815 0.000 1.443 283 D HN -0.045 nan 8.370 nan 0.000 0.515 284 Q N 0.574 120.130 119.800 -0.408 0.000 2.326 284 Q HA -0.009 4.331 4.340 0.000 0.000 0.314 284 Q C 1.056 176.946 176.000 -0.183 0.000 1.091 284 Q CA 0.664 56.349 55.803 -0.198 0.000 0.974 284 Q CB 0.480 29.117 28.738 -0.168 0.000 1.220 284 Q HN 0.430 nan 8.270 nan 0.000 0.398 285 R N 2.926 123.368 120.500 -0.097 0.000 2.189 285 R HA -0.109 4.231 4.340 0.000 0.000 0.223 285 R C 1.645 177.894 176.300 -0.085 0.000 1.092 285 R CA 1.530 57.582 56.100 -0.081 0.000 0.989 285 R CB -0.753 29.525 30.300 -0.036 0.000 0.876 285 R HN 0.725 nan 8.270 nan 0.000 0.457 286 L N -0.289 120.872 121.223 -0.104 0.000 2.187 286 L HA -0.027 4.313 4.340 0.000 0.000 0.213 286 L C 1.619 178.472 176.870 -0.029 0.000 1.100 286 L CA 1.349 56.142 54.840 -0.078 0.000 0.765 286 L CB -0.396 41.602 42.059 -0.102 0.000 0.904 286 L HN 0.175 nan 8.230 nan 0.000 0.437 287 L N 0.392 121.579 121.223 -0.060 0.000 2.551 287 L HA 0.084 4.424 4.340 0.000 0.000 0.228 287 L C 0.812 177.763 176.870 0.136 0.000 1.153 287 L CA 0.138 54.996 54.840 0.030 0.000 0.851 287 L CB -0.355 41.563 42.059 -0.234 0.000 0.959 287 L HN 0.270 nan 8.230 nan 0.000 0.451 288 L N 0.772 122.030 121.223 0.058 0.000 2.343 288 L HA 0.257 4.597 4.340 0.000 0.000 0.275 288 L C -1.270 175.664 176.870 0.107 0.000 1.056 288 L CA -1.514 53.386 54.840 0.099 0.000 0.804 288 L CB 1.051 43.138 42.059 0.047 0.000 1.203 288 L HN -0.197 nan 8.230 nan 0.000 0.440 289 P HA -0.060 nan 4.420 nan 0.000 0.255 289 P C 0.910 178.345 177.300 0.223 0.000 1.248 289 P CA 0.596 63.802 63.100 0.177 0.000 0.807 289 P CB 0.158 31.963 31.700 0.175 0.000 1.150 290 H N -0.150 119.001 119.070 0.135 0.000 2.265 290 H HA -0.169 4.388 4.556 0.000 0.000 0.295 290 H C 1.582 176.981 175.328 0.118 0.000 1.084 290 H CA 2.039 58.157 56.048 0.117 0.000 1.261 290 H CB -1.135 28.690 29.762 0.105 0.000 1.360 290 H HN -0.024 nan 8.280 nan 0.000 0.487 291 W N 0.706 121.871 121.300 -0.224 0.000 2.305 291 W HA -0.256 4.404 4.660 0.000 0.000 0.308 291 W C 2.966 179.334 176.519 -0.252 0.000 1.226 291 W CA 2.786 59.958 57.345 -0.288 0.000 1.253 291 W CB -0.874 28.481 29.460 -0.176 0.000 1.146 291 W HN 0.421 nan 8.180 nan 0.000 0.507 292 A N -0.392 122.447 122.820 0.032 0.000 1.930 292 A HA -0.169 4.151 4.320 0.000 0.000 0.217 292 A C 2.038 179.454 177.584 -0.280 0.000 1.175 292 A CA 1.526 53.452 52.037 -0.184 0.000 0.627 292 A CB -0.548 18.356 19.000 -0.160 0.000 0.815 292 A HN 0.197 nan 8.150 nan 0.000 0.443 293 K N -0.160 120.252 120.400 0.019 0.000 2.001 293 K HA -0.141 4.179 4.320 0.000 0.000 0.214 293 K C 1.978 178.563 176.600 -0.026 0.000 1.050 293 K CA 1.737 58.115 56.287 0.153 0.000 0.934 293 K CB -0.767 31.855 32.500 0.203 0.000 0.718 293 K HN 0.350 nan 8.250 nan 0.000 0.443 294 V N 1.332 121.140 119.914 -0.177 0.000 2.343 294 V HA -0.198 3.922 4.120 0.000 0.000 0.247 294 V C 2.466 178.432 176.094 -0.213 0.000 1.051 294 V CA 1.543 63.701 62.300 -0.236 0.000 1.036 294 V CB -0.428 31.125 31.823 -0.450 0.000 0.654 294 V HN 0.053 nan 8.190 nan 0.000 0.451 295 V N -0.525 119.243 119.914 -0.244 0.000 2.407 295 V HA -0.087 4.033 4.120 0.000 0.000 0.245 295 V C 2.115 178.094 176.094 -0.192 0.000 1.041 295 V CA 1.534 63.716 62.300 -0.196 0.000 1.040 295 V CB -0.343 31.382 31.823 -0.165 0.000 0.671 295 V HN 0.423 nan 8.190 nan 0.000 0.455 296 L N 0.404 121.444 121.223 -0.307 0.000 2.307 296 L HA -0.023 4.317 4.340 0.000 0.000 0.211 296 L C 2.505 179.331 176.870 -0.073 0.000 1.099 296 L CA 1.375 56.009 54.840 -0.344 0.000 0.816 296 L CB -0.766 40.728 42.059 -0.942 0.000 0.952 296 L HN 0.490 nan 8.230 nan 0.000 0.455 297 T N -3.822 110.748 114.554 0.027 0.000 3.163 297 T HA -0.092 4.258 4.350 0.000 0.000 0.260 297 T C 0.624 175.340 174.700 0.028 0.000 1.156 297 T CA 0.061 62.225 62.100 0.105 0.000 1.072 297 T CB -0.411 68.536 68.868 0.131 0.000 0.937 297 T HN 0.091 nan 8.240 nan 0.000 0.528 298 D N 2.416 122.807 120.400 -0.015 0.000 2.359 298 D HA 0.232 4.872 4.640 0.000 0.000 0.230 298 D C -1.411 174.875 176.300 -0.023 0.000 1.118 298 D CA -2.772 51.216 54.000 -0.020 0.000 0.844 298 D CB 2.007 42.788 40.800 -0.033 0.000 1.059 298 D HN -0.009 nan 8.370 nan 0.000 0.493 299 P HA -0.179 nan 4.420 nan 0.000 0.216 299 P C 1.102 178.371 177.300 -0.052 0.000 1.153 299 P CA 1.613 64.694 63.100 -0.032 0.000 0.858 299 P CB 0.168 31.851 31.700 -0.029 0.000 0.789 300 E N 0.005 120.187 120.200 -0.031 0.000 2.208 300 E HA 0.008 4.359 4.350 0.000 0.000 0.193 300 E C 2.118 178.750 176.600 0.053 0.000 0.988 300 E CA 1.275 57.668 56.400 -0.012 0.000 0.828 300 E CB -1.173 28.537 29.700 0.015 0.000 0.763 300 E HN 0.355 nan 8.360 nan 0.000 0.478 301 A N 0.829 123.666 122.820 0.028 0.000 1.843 301 A HA 0.416 4.736 4.320 0.000 0.000 0.213 301 A C 2.824 180.425 177.584 0.030 0.000 1.202 301 A CA 1.951 54.015 52.037 0.046 0.000 0.607 301 A CB -0.743 18.244 19.000 -0.020 0.000 0.847 301 A HN 0.986 nan 8.150 nan 0.000 0.445 302 A N 0.993 123.788 122.820 -0.041 0.000 2.070 302 A HA -0.149 4.171 4.320 0.000 0.000 0.220 302 A C 1.971 179.502 177.584 -0.088 0.000 1.159 302 A CA 1.792 53.788 52.037 -0.069 0.000 0.656 302 A CB -0.656 18.300 19.000 -0.074 0.000 0.800 302 A HN 0.717 nan 8.150 nan 0.000 0.453 303 K N -1.738 118.566 120.400 -0.159 0.000 2.281 303 K HA -0.162 4.158 4.320 0.000 0.000 0.203 303 K C 1.153 177.541 176.600 -0.353 0.000 1.046 303 K CA 1.778 57.889 56.287 -0.293 0.000 0.938 303 K CB -0.466 31.765 32.500 -0.448 0.000 0.737 303 K HN 0.603 nan 8.250 nan 0.000 0.458 304 Y N 0.838 121.091 120.300 -0.079 0.000 2.458 304 Y HA 0.181 4.731 4.550 0.000 0.000 0.254 304 Y C 0.240 176.079 175.900 -0.101 0.000 1.120 304 Y CA -0.763 57.278 58.100 -0.098 0.000 1.282 304 Y CB 1.249 39.627 38.460 -0.136 0.000 1.109 304 Y HN -0.210 nan 8.280 nan 0.000 0.526 305 V N 0.817 120.749 119.914 0.030 0.000 2.333 305 V HA 0.025 4.145 4.120 0.000 0.000 0.274 305 V C 0.566 176.658 176.094 -0.004 0.000 1.028 305 V CA -0.384 61.904 62.300 -0.019 0.000 0.851 305 V CB 0.782 32.562 31.823 -0.072 0.000 1.000 305 V HN 0.307 nan 8.190 nan 0.000 0.456 306 H N 3.729 122.744 119.070 -0.092 0.000 2.547 306 H HA 0.403 4.959 4.556 0.000 0.000 0.272 306 H C 0.727 176.019 175.328 -0.060 0.000 0.989 306 H CA 0.850 56.853 56.048 -0.075 0.000 1.214 306 H CB 0.401 30.101 29.762 -0.103 0.000 1.389 306 H HN 0.793 nan 8.280 nan 0.000 0.577 307 G N -0.735 107.947 108.800 -0.196 0.000 2.328 307 G HA2 0.315 4.275 3.960 0.000 0.000 0.295 307 G HA3 0.315 4.275 3.960 0.000 0.000 0.295 307 G C -1.710 173.113 174.900 -0.129 0.000 1.413 307 G CA -0.655 44.322 45.100 -0.205 0.000 0.817 307 G HN 0.126 nan 8.290 nan 0.000 0.546 308 I N 1.260 121.779 120.570 -0.085 0.000 2.389 308 I HA 0.574 4.744 4.170 0.000 0.000 0.288 308 I C 0.672 176.766 176.117 -0.037 0.000 0.999 308 I CA -0.774 60.483 61.300 -0.071 0.000 1.129 308 I CB 1.837 39.805 38.000 -0.054 0.000 1.288 308 I HN 0.716 nan 8.210 nan 0.000 0.444 309 A N 6.771 129.555 122.820 -0.060 0.000 2.331 309 A HA 0.748 5.068 4.320 0.000 0.000 0.283 309 A C -0.255 177.292 177.584 -0.060 0.000 1.142 309 A CA -0.381 51.654 52.037 -0.004 0.000 0.812 309 A CB 0.868 19.855 19.000 -0.022 0.000 1.074 309 A HN 0.637 nan 8.150 nan 0.000 0.497 310 V N 0.453 120.345 119.914 -0.036 0.000 3.040 310 V HA 0.686 4.806 4.120 0.000 0.000 0.312 310 V C -0.538 175.598 176.094 0.070 0.000 1.115 310 V CA -0.807 61.473 62.300 -0.034 0.000 0.998 310 V CB 1.446 33.243 31.823 -0.044 0.000 1.042 310 V HN 0.968 nan 8.190 nan 0.000 0.433 311 H N 1.138 120.107 119.070 -0.168 0.000 2.710 311 H HA 0.400 4.956 4.556 0.000 0.000 0.361 311 H C -0.857 174.534 175.328 0.105 0.000 1.175 311 H CA -0.492 55.470 56.048 -0.143 0.000 1.206 311 H CB 2.264 31.924 29.762 -0.170 0.000 1.750 311 H HN 0.786 nan 8.280 nan 0.000 0.553 312 W N -0.050 121.256 121.300 0.010 0.000 2.915 312 W HA 0.094 4.754 4.660 0.000 0.000 0.276 312 W C 1.816 178.408 176.519 0.121 0.000 1.215 312 W CA -0.314 57.035 57.345 0.006 0.000 1.514 312 W CB -0.690 28.730 29.460 -0.065 0.000 1.017 312 W HN 0.739 nan 8.180 nan 0.000 0.598 313 Y N 0.812 121.242 120.300 0.216 0.000 1.997 313 Y HA -0.260 4.290 4.550 0.000 0.000 0.265 313 Y C 0.895 176.888 175.900 0.154 0.000 1.193 313 Y CA 1.094 59.308 58.100 0.191 0.000 1.106 313 Y CB -0.315 38.248 38.460 0.171 0.000 0.940 313 Y HN -0.439 nan 8.280 nan 0.000 0.494 314 L N 1.318 122.599 121.223 0.096 0.000 2.360 314 L HA 0.152 4.492 4.340 0.000 0.000 0.265 314 L C -0.751 175.860 176.870 -0.432 0.000 1.066 314 L CA -0.330 54.258 54.840 -0.420 0.000 0.929 314 L CB 0.700 42.564 42.059 -0.326 0.000 1.306 314 L HN 0.231 nan 8.230 nan 0.000 0.434 315 D N 0.858 120.990 120.400 -0.448 0.000 2.504 315 D HA -0.021 4.619 4.640 0.000 0.000 0.276 315 D C 1.801 177.962 176.300 -0.232 0.000 1.073 315 D CA 0.410 54.265 54.000 -0.241 0.000 0.905 315 D CB 0.161 40.894 40.800 -0.112 0.000 1.350 315 D HN 0.397 nan 8.370 nan 0.000 0.496 316 F N 1.623 121.560 119.950 -0.021 0.000 2.184 316 F HA -0.157 4.370 4.527 -0.000 0.000 0.301 316 F C 1.352 177.147 175.800 -0.009 0.000 1.076 316 F CA 0.689 58.680 58.000 -0.014 0.000 1.295 316 F CB -1.207 37.786 39.000 -0.011 0.000 1.026 316 F HN -0.061 nan 8.300 nan 0.000 0.494 317 L N -0.972 119.959 121.223 -0.488 0.000 2.653 317 L HA 0.689 5.029 4.340 0.000 0.000 0.232 317 L C 0.121 176.893 176.870 -0.163 0.000 1.169 317 L CA -0.540 54.164 54.840 -0.226 0.000 0.951 317 L CB -0.943 40.955 42.059 -0.270 0.000 1.181 317 L HN 0.232 nan 8.230 nan 0.000 0.460 318 A N 0.062 122.792 122.820 -0.151 0.000 2.511 318 A HA 0.719 5.039 4.320 0.000 0.000 0.292 318 A C -3.024 174.500 177.584 -0.100 0.000 1.045 318 A CA -0.684 51.289 52.037 -0.107 0.000 0.870 318 A CB 1.172 20.102 19.000 -0.116 0.000 1.361 318 A HN -0.009 nan 8.150 nan 0.000 0.396 319 P HA 0.424 nan 4.420 nan 0.000 0.276 319 P C 0.956 178.143 177.300 -0.188 0.000 1.252 319 P CA 0.306 63.343 63.100 -0.104 0.000 0.802 319 P CB 1.390 33.048 31.700 -0.070 0.000 1.035 320 A N 1.870 124.509 122.820 -0.303 0.000 1.873 320 A HA -0.175 4.145 4.320 0.000 0.000 0.215 320 A C 2.265 179.437 177.584 -0.688 0.000 1.186 320 A CA 1.756 53.468 52.037 -0.541 0.000 0.616 320 A CB -1.198 17.324 19.000 -0.796 0.000 0.823 320 A HN 0.615 nan 8.150 nan 0.000 0.442 321 K N -0.267 119.728 120.400 -0.675 0.000 2.001 321 K HA -0.183 4.137 4.320 0.000 0.000 0.214 321 K C 2.117 178.630 176.600 -0.146 0.000 1.050 321 K CA 1.585 57.658 56.287 -0.356 0.000 0.934 321 K CB -0.376 32.078 32.500 -0.077 0.000 0.718 321 K HN 0.364 nan 8.250 nan 0.000 0.443 322 A N 0.194 122.950 122.820 -0.108 0.000 2.019 322 A HA -0.133 4.187 4.320 0.000 0.000 0.219 322 A C 2.022 179.587 177.584 -0.031 0.000 1.164 322 A CA 2.169 54.181 52.037 -0.042 0.000 0.644 322 A CB -0.659 18.322 19.000 -0.033 0.000 0.805 322 A HN 0.707 nan 8.150 nan 0.000 0.449 323 T N -2.402 112.110 114.554 -0.071 0.000 3.395 323 T HA 0.163 4.513 4.350 0.000 0.000 0.230 323 T C 1.790 176.487 174.700 -0.004 0.000 0.958 323 T CA 0.736 62.816 62.100 -0.033 0.000 1.377 323 T CB -0.759 68.075 68.868 -0.057 0.000 1.124 323 T HN 0.160 nan 8.240 nan 0.000 0.425 324 L N 1.371 122.567 121.223 -0.046 0.000 2.093 324 L HA 0.226 4.566 4.340 0.000 0.000 0.208 324 L C 3.124 180.088 176.870 0.157 0.000 1.085 324 L CA 1.305 56.172 54.840 0.044 0.000 0.755 324 L CB -1.143 40.936 42.059 0.032 0.000 0.904 324 L HN 0.554 nan 8.230 nan 0.000 0.435 325 G N 0.084 108.946 108.800 0.103 0.000 2.433 325 G HA2 -0.306 3.654 3.960 0.000 0.000 0.216 325 G HA3 -0.306 3.654 3.960 0.000 0.000 0.216 325 G C 1.486 176.521 174.900 0.226 0.000 1.186 325 G CA 0.861 46.136 45.100 0.292 0.000 0.779 325 G HN 0.326 nan 8.290 nan 0.000 0.543 326 E N 0.437 120.713 120.200 0.126 0.000 2.110 326 E HA -0.078 4.272 4.350 0.000 0.000 0.193 326 E C 2.569 179.235 176.600 0.110 0.000 0.988 326 E CA 1.677 58.134 56.400 0.096 0.000 0.804 326 E CB -0.610 29.129 29.700 0.065 0.000 0.745 326 E HN 0.334 nan 8.360 nan 0.000 0.458 327 T N -0.235 114.412 114.554 0.155 0.000 2.788 327 T HA -0.166 4.184 4.350 0.000 0.000 0.268 327 T C 1.637 176.477 174.700 0.233 0.000 1.044 327 T CA 1.374 63.606 62.100 0.221 0.000 1.139 327 T CB -0.471 68.512 68.868 0.191 0.000 0.867 327 T HN 0.405 nan 8.240 nan 0.000 0.454 328 H N 1.051 120.182 119.070 0.103 0.000 2.357 328 H HA 0.031 4.587 4.556 0.000 0.000 0.301 328 H C 2.649 177.951 175.328 -0.044 0.000 1.082 328 H CA 1.376 57.432 56.048 0.013 0.000 1.342 328 H CB 0.064 29.752 29.762 -0.124 0.000 1.389 328 H HN 0.150 nan 8.280 nan 0.000 0.511 329 R N 0.546 120.992 120.500 -0.090 0.000 2.122 329 R HA -0.155 4.185 4.340 0.000 0.000 0.236 329 R C 2.798 178.943 176.300 -0.259 0.000 1.129 329 R CA 1.951 57.955 56.100 -0.160 0.000 0.925 329 R CB -0.498 29.776 30.300 -0.042 0.000 0.850 329 R HN 0.320 nan 8.270 nan 0.000 0.431 330 L N -1.250 119.816 121.223 -0.261 0.000 2.131 330 L HA -0.060 4.280 4.340 0.000 0.000 0.210 330 L C 0.339 176.631 176.870 -0.964 0.000 1.092 330 L CA 0.901 55.371 54.840 -0.617 0.000 0.759 330 L CB 0.042 41.723 42.059 -0.631 0.000 0.903 330 L HN 0.141 nan 8.230 nan 0.000 0.435 331 F N -1.874 118.014 119.950 -0.104 0.000 2.710 331 F HA 0.289 4.816 4.527 0.000 0.000 0.345 331 F C -1.865 173.855 175.800 -0.133 0.000 1.362 331 F CA -1.446 56.498 58.000 -0.093 0.000 1.175 331 F CB 0.524 39.499 39.000 -0.042 0.000 1.561 331 F HN -0.217 nan 8.300 nan 0.000 0.593 332 P HA -0.099 nan 4.420 nan 0.000 0.218 332 P C 0.438 177.734 177.300 -0.007 0.000 1.149 332 P CA 1.491 64.417 63.100 -0.289 0.000 0.817 332 P CB 0.197 31.722 31.700 -0.292 0.000 0.785 333 N N -2.230 116.485 118.700 0.025 0.000 2.268 333 N HA 0.051 4.791 4.740 0.000 0.000 0.204 333 N C -0.515 175.015 175.510 0.033 0.000 1.124 333 N CA 0.299 53.374 53.050 0.042 0.000 0.838 333 N CB -0.007 38.499 38.487 0.031 0.000 0.994 333 N HN -0.044 nan 8.380 nan 0.000 0.489 334 T N 1.923 116.509 114.554 0.053 0.000 2.821 334 T HA 0.275 4.625 4.350 0.000 0.000 0.307 334 T C 0.089 174.790 174.700 0.003 0.000 1.034 334 T CA -0.816 61.278 62.100 -0.010 0.000 0.953 334 T CB 0.353 69.216 68.868 -0.008 0.000 0.968 334 T HN 0.106 nan 8.240 nan 0.000 0.462 335 M N 3.331 122.882 119.600 -0.081 0.000 2.252 335 M HA 0.404 4.884 4.480 0.000 0.000 0.333 335 M C -0.799 175.497 176.300 -0.006 0.000 1.111 335 M CA 0.211 55.494 55.300 -0.027 0.000 1.140 335 M CB -0.216 32.341 32.600 -0.071 0.000 1.538 335 M HN 0.319 nan 8.290 nan 0.000 0.448 336 L N 3.621 124.864 121.223 0.033 0.000 2.307 336 L HA 0.677 5.017 4.340 0.000 0.000 0.282 336 L C -0.975 175.882 176.870 -0.022 0.000 1.051 336 L CA -0.249 54.601 54.840 0.015 0.000 0.804 336 L CB 1.070 43.148 42.059 0.032 0.000 1.197 336 L HN 0.826 nan 8.230 nan 0.000 0.431 337 F N 2.367 122.181 119.950 -0.227 0.000 2.578 337 F HA 0.701 5.228 4.527 0.000 0.000 0.311 337 F C -0.561 174.989 175.800 -0.416 0.000 1.094 337 F CA -0.708 57.080 58.000 -0.353 0.000 0.923 337 F CB 1.617 40.505 39.000 -0.186 0.000 1.230 337 F HN 0.397 nan 8.300 nan 0.000 0.450 338 A N 3.307 125.315 122.820 -1.354 0.000 2.366 338 A HA 0.454 4.774 4.320 0.000 0.000 0.322 338 A C 0.405 177.406 177.584 -0.971 0.000 1.397 338 A CA 0.161 51.574 52.037 -1.040 0.000 0.984 338 A CB -0.047 18.225 19.000 -1.213 0.000 1.149 338 A HN 0.933 nan 8.150 nan 0.000 0.540 339 S N 1.397 116.901 115.700 -0.327 0.000 2.501 339 S HA 0.084 4.554 4.470 0.000 0.000 0.220 339 S C 0.538 174.911 174.600 -0.379 0.000 0.997 339 S CA 0.660 58.821 58.200 -0.064 0.000 0.919 339 S CB 0.079 63.351 63.200 0.121 0.000 0.778 339 S HN 0.747 nan 8.310 nan 0.000 0.523 340 E N 0.951 120.722 120.200 -0.715 0.000 3.132 340 E HA 0.519 4.869 4.350 0.000 0.000 0.241 340 E C -0.810 175.295 176.600 -0.824 0.000 1.196 340 E CA -0.380 55.494 56.400 -0.877 0.000 0.869 340 E CB 0.746 29.532 29.700 -1.523 0.000 1.387 340 E HN 0.384 nan 8.360 nan 0.000 0.393 341 A N 3.005 125.282 122.820 -0.905 0.000 3.029 341 A HA 0.179 4.499 4.320 0.000 0.000 0.251 341 A C 0.147 177.441 177.584 -0.483 0.000 1.749 341 A CA -0.252 50.911 52.037 -1.456 0.000 1.386 341 A CB -0.976 17.074 19.000 -1.583 0.000 1.043 341 A HN 0.542 nan 8.150 nan 0.000 0.638 342 C N 0.430 119.655 119.300 -0.125 0.000 2.779 342 C HA 0.890 5.350 4.460 0.000 0.000 0.314 342 C C 0.376 175.535 174.990 0.283 0.000 1.231 342 C CA 0.324 59.416 59.018 0.124 0.000 1.652 342 C CB 1.044 28.862 27.740 0.129 0.000 2.198 342 C HN 1.055 nan 8.230 nan 0.000 0.483 343 V N 0.040 120.171 119.914 0.362 0.000 5.814 343 V HA 0.882 5.002 4.120 0.000 0.000 0.316 343 V C 0.787 177.108 176.094 0.377 0.000 1.698 343 V CA -0.050 62.507 62.300 0.429 0.000 0.748 343 V CB -0.535 31.470 31.823 0.304 0.000 1.374 343 V HN 2.421 nan 8.190 nan 0.000 0.419 344 G N 0.212 109.170 108.800 0.264 0.000 2.470 344 G HA2 0.136 4.096 3.960 0.000 0.000 0.286 344 G HA3 0.136 4.096 3.960 0.000 0.000 0.286 344 G C -0.285 174.673 174.900 0.098 0.000 1.115 344 G CA 0.645 45.843 45.100 0.162 0.000 1.122 344 G HN 1.236 nan 8.290 nan 0.000 0.522 345 S N -0.885 114.825 115.700 0.016 0.000 2.688 345 S HA 0.928 5.398 4.470 0.000 0.000 0.275 345 S C 0.031 174.474 174.600 -0.262 0.000 1.175 345 S CA -0.081 58.074 58.200 -0.075 0.000 0.818 345 S CB 2.173 65.375 63.200 0.003 0.000 1.157 345 S HN 0.788 nan 8.310 nan 0.000 0.482 346 K N -1.447 118.742 120.400 -0.352 0.000 2.547 346 K HA 0.520 4.840 4.320 0.000 0.000 0.270 346 K C 0.494 176.885 176.600 -0.348 0.000 0.857 346 K CA 0.091 56.049 56.287 -0.547 0.000 0.668 346 K CB -0.797 30.949 32.500 -1.257 0.000 1.337 346 K HN 0.406 nan 8.250 nan 0.000 0.330 347 F N -0.291 119.501 119.950 -0.263 0.000 2.387 347 F HA 0.120 4.647 4.527 0.000 0.000 0.294 347 F C 1.345 177.201 175.800 0.093 0.000 1.093 347 F CA 1.527 59.557 58.000 0.050 0.000 1.420 347 F CB -0.417 38.743 39.000 0.266 0.000 1.086 347 F HN 0.649 nan 8.300 nan 0.000 0.531 348 W N 0.583 121.881 121.300 -0.004 0.000 2.870 348 W HA 0.458 5.118 4.660 0.000 0.000 0.358 348 W C -0.243 176.287 176.519 0.018 0.000 1.043 348 W CA -0.110 57.240 57.345 0.008 0.000 1.692 348 W CB -0.435 29.028 29.460 0.005 0.000 1.100 348 W HN 0.117 nan 8.180 nan 0.000 0.557 349 E N 2.140 122.090 120.200 -0.417 0.000 2.214 349 E HA 0.233 4.584 4.350 0.000 0.000 0.274 349 E C -0.315 176.204 176.600 -0.135 0.000 0.977 349 E CA -0.894 55.350 56.400 -0.260 0.000 0.827 349 E CB 1.242 30.694 29.700 -0.414 0.000 1.130 349 E HN 0.096 nan 8.360 nan 0.000 0.394 350 Q N 0.466 120.230 119.800 -0.060 0.000 2.471 350 Q HA 0.152 4.492 4.340 0.000 0.000 0.223 350 Q C 0.944 176.909 176.000 -0.058 0.000 1.045 350 Q CA -0.325 55.459 55.803 -0.031 0.000 0.956 350 Q CB 0.266 29.013 28.738 0.015 0.000 1.249 350 Q HN 0.398 nan 8.270 nan 0.000 0.549 351 S N -0.542 115.150 115.700 -0.014 0.000 2.389 351 S HA -0.111 4.359 4.470 0.000 0.000 0.229 351 S C 0.667 175.257 174.600 -0.017 0.000 1.048 351 S CA 1.353 59.560 58.200 0.012 0.000 1.117 351 S CB -0.114 63.115 63.200 0.048 0.000 1.020 351 S HN 0.464 nan 8.310 nan 0.000 0.430 352 V N 2.289 122.182 119.914 -0.036 0.000 2.370 352 V HA 0.392 4.512 4.120 0.000 0.000 0.283 352 V C 0.028 176.027 176.094 -0.158 0.000 1.023 352 V CA -0.458 61.800 62.300 -0.071 0.000 0.857 352 V CB 1.322 33.120 31.823 -0.042 0.000 0.985 352 V HN 0.219 nan 8.190 nan 0.000 0.443 353 R N 4.759 125.105 120.500 -0.257 0.000 2.272 353 R HA 0.453 4.793 4.340 0.000 0.000 0.323 353 R C -0.783 175.316 176.300 -0.334 0.000 1.002 353 R CA -0.621 55.147 56.100 -0.553 0.000 0.900 353 R CB 1.222 31.050 30.300 -0.788 0.000 1.151 353 R HN 0.639 nan 8.270 nan 0.000 0.507 354 L N 2.977 124.100 121.223 -0.167 0.000 2.678 354 L HA 0.033 4.373 4.340 0.000 0.000 0.276 354 L C 1.163 178.106 176.870 0.122 0.000 1.142 354 L CA 0.694 55.431 54.840 -0.171 0.000 0.961 354 L CB 0.359 41.963 42.059 -0.758 0.000 1.291 354 L HN 1.027 nan 8.230 nan 0.000 0.476 355 G N 1.944 110.800 108.800 0.094 0.000 2.131 355 G HA2 -0.255 3.705 3.960 0.000 0.000 0.201 355 G HA3 -0.255 3.705 3.960 0.000 0.000 0.201 355 G C 0.292 175.331 174.900 0.232 0.000 1.000 355 G CA 0.135 45.360 45.100 0.208 0.000 0.680 355 G HN 0.655 nan 8.290 nan 0.000 0.514 356 S N 0.016 115.785 115.700 0.115 0.000 2.465 356 S HA 0.253 4.723 4.470 0.000 0.000 0.280 356 S C 1.215 175.905 174.600 0.151 0.000 1.232 356 S CA 0.462 58.720 58.200 0.096 0.000 1.066 356 S CB 0.077 63.232 63.200 -0.074 0.000 0.929 356 S HN 0.555 nan 8.310 nan 0.000 0.494 357 W N 4.520 125.837 121.300 0.028 0.000 2.436 357 W HA -0.091 4.569 4.660 0.000 0.000 0.284 357 W C 1.140 177.650 176.519 -0.015 0.000 1.225 357 W CA 1.274 58.642 57.345 0.037 0.000 1.271 357 W CB -0.298 29.186 29.460 0.040 0.000 1.114 357 W HN 0.879 nan 8.180 nan 0.000 0.559 358 D N 0.054 120.505 120.400 0.084 0.000 2.123 358 D HA -0.200 4.440 4.640 0.000 0.000 0.196 358 D C 2.276 178.521 176.300 -0.091 0.000 0.992 358 D CA 1.915 55.921 54.000 0.009 0.000 0.833 358 D CB 0.046 40.878 40.800 0.052 0.000 0.954 358 D HN 0.072 nan 8.370 nan 0.000 0.455 359 R N -0.449 119.995 120.500 -0.093 0.000 2.090 359 R HA 0.070 4.410 4.340 0.000 0.000 0.228 359 R C 2.499 178.713 176.300 -0.144 0.000 1.110 359 R CA 0.992 57.061 56.100 -0.050 0.000 0.973 359 R CB -0.461 29.830 30.300 -0.015 0.000 0.869 359 R HN 0.159 nan 8.270 nan 0.000 0.440 360 G N 1.484 110.033 108.800 -0.417 0.000 2.491 360 G HA2 -0.302 3.658 3.960 0.000 0.000 0.218 360 G HA3 -0.302 3.658 3.960 0.000 0.000 0.218 360 G C 1.469 175.650 174.900 -1.199 0.000 1.180 360 G CA 0.976 45.515 45.100 -0.935 0.000 0.774 360 G HN 0.156 nan 8.290 nan 0.000 0.562 361 M N -0.051 118.979 119.600 -0.950 0.000 2.213 361 M HA -0.090 4.390 4.480 0.000 0.000 0.263 361 M C 2.789 179.037 176.300 -0.086 0.000 1.062 361 M CA 1.249 56.311 55.300 -0.397 0.000 1.105 361 M CB -0.343 32.168 32.600 -0.149 0.000 1.385 361 M HN 0.333 nan 8.290 nan 0.000 0.417 362 Q N -0.712 119.052 119.800 -0.060 0.000 2.084 362 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 362 Q C 1.856 177.859 176.000 0.005 0.000 0.978 362 Q CA 1.564 57.378 55.803 0.018 0.000 0.844 362 Q CB -0.225 28.535 28.738 0.036 0.000 0.898 362 Q HN 0.478 nan 8.270 nan 0.000 0.426 363 Y N 0.955 121.207 120.300 -0.080 0.000 2.097 363 Y HA -0.284 4.266 4.550 0.000 0.000 0.282 363 Y C 2.893 178.768 175.900 -0.043 0.000 1.152 363 Y CA 1.802 59.906 58.100 0.007 0.000 1.136 363 Y CB -0.364 38.155 38.460 0.098 0.000 0.975 363 Y HN 0.188 nan 8.280 nan 0.000 0.498 364 S N -1.328 114.516 115.700 0.241 0.000 2.357 364 S HA -0.238 4.233 4.470 0.000 0.000 0.221 364 S C 2.040 176.690 174.600 0.084 0.000 1.031 364 S CA 1.290 59.660 58.200 0.282 0.000 0.982 364 S CB -1.019 62.548 63.200 0.613 0.000 0.853 364 S HN 0.625 nan 8.310 nan 0.000 0.458 365 H N 1.314 120.391 119.070 0.011 0.000 2.352 365 H HA -0.070 4.486 4.556 0.000 0.000 0.299 365 H C 2.319 177.528 175.328 -0.198 0.000 1.097 365 H CA 1.758 57.774 56.048 -0.053 0.000 1.311 365 H CB -0.485 29.252 29.762 -0.043 0.000 1.377 365 H HN 0.508 nan 8.280 nan 0.000 0.504 366 S N 0.001 115.413 115.700 -0.481 0.000 2.359 366 S HA -0.123 4.347 4.470 0.000 0.000 0.224 366 S C 2.409 176.612 174.600 -0.662 0.000 1.035 366 S CA 1.309 58.981 58.200 -0.879 0.000 1.018 366 S CB -0.325 61.920 63.200 -1.592 0.000 0.876 366 S HN 0.420 nan 8.310 nan 0.000 0.448 367 I N 0.897 121.159 120.570 -0.514 0.000 2.226 367 I HA -0.177 3.993 4.170 0.000 0.000 0.245 367 I C 2.023 177.895 176.117 -0.409 0.000 1.100 367 I CA 1.128 62.104 61.300 -0.540 0.000 1.374 367 I CB -0.266 36.994 38.000 -1.233 0.000 1.057 367 I HN 0.333 nan 8.210 nan 0.000 0.413 368 I N -0.293 120.082 120.570 -0.325 0.000 2.163 368 I HA -0.288 3.882 4.170 0.000 0.000 0.240 368 I C 2.513 178.560 176.117 -0.117 0.000 1.081 368 I CA 1.543 62.770 61.300 -0.121 0.000 1.353 368 I CB -0.664 37.340 38.000 0.007 0.000 1.054 368 I HN 0.153 nan 8.210 nan 0.000 0.407 369 T N 0.625 115.043 114.554 -0.228 0.000 2.653 369 T HA -0.246 4.104 4.350 0.000 0.000 0.268 369 T C 1.758 176.490 174.700 0.053 0.000 1.035 369 T CA 1.874 63.892 62.100 -0.135 0.000 1.154 369 T CB -0.562 68.106 68.868 -0.332 0.000 0.862 369 T HN 0.367 nan 8.240 nan 0.000 0.441 370 N N 0.673 119.417 118.700 0.074 0.000 2.021 370 N HA -0.102 4.638 4.740 0.000 0.000 0.198 370 N C 1.938 177.599 175.510 0.252 0.000 1.041 370 N CA 1.374 54.597 53.050 0.288 0.000 0.862 370 N CB -0.342 38.573 38.487 0.713 0.000 1.048 370 N HN 0.324 nan 8.380 nan 0.000 0.427 371 L N 1.175 122.541 121.223 0.238 0.000 2.083 371 L HA -0.119 4.221 4.340 0.000 0.000 0.209 371 L C 2.212 179.023 176.870 -0.099 0.000 1.083 371 L CA 0.677 55.609 54.840 0.154 0.000 0.752 371 L CB -0.288 41.855 42.059 0.139 0.000 0.899 371 L HN 0.211 nan 8.230 nan 0.000 0.433 372 L N -1.552 119.557 121.223 -0.190 0.000 2.465 372 L HA -0.154 4.186 4.340 0.000 0.000 0.224 372 L C 0.493 176.866 176.870 -0.829 0.000 1.145 372 L CA 0.777 55.324 54.840 -0.489 0.000 0.834 372 L CB -0.112 41.675 42.059 -0.453 0.000 0.944 372 L HN 0.276 nan 8.230 nan 0.000 0.451 373 Y N -1.102 118.985 120.300 -0.356 0.000 2.617 373 Y HA 0.237 4.787 4.550 0.000 0.000 0.328 373 Y C 0.366 176.043 175.900 -0.371 0.000 0.946 373 Y CA -0.722 57.098 58.100 -0.467 0.000 1.241 373 Y CB -0.263 38.101 38.460 -0.160 0.000 1.226 373 Y HN 0.156 nan 8.280 nan 0.000 0.582 374 H N -2.823 116.197 119.070 -0.084 0.000 3.415 374 H HA -0.157 4.399 4.556 0.000 0.000 0.213 374 H C 0.128 175.403 175.328 -0.089 0.000 1.091 374 H CA 0.571 56.524 56.048 -0.159 0.000 1.182 374 H CB -1.642 27.851 29.762 -0.447 0.000 1.160 374 H HN 0.149 nan 8.280 nan 0.000 0.319 375 V N 2.564 122.489 119.914 0.018 0.000 2.637 375 V HA 0.045 4.165 4.120 0.000 0.000 0.296 375 V C 2.032 177.966 176.094 -0.268 0.000 1.046 375 V CA 0.727 62.934 62.300 -0.155 0.000 1.066 375 V CB 1.568 33.251 31.823 -0.233 0.000 0.968 375 V HN 0.343 nan 8.190 nan 0.000 0.483 376 V N 1.751 121.451 119.914 -0.356 0.000 3.471 376 V HA 0.620 4.740 4.120 0.000 0.000 0.258 376 V C 0.730 176.545 176.094 -0.465 0.000 1.192 376 V CA 1.058 63.221 62.300 -0.228 0.000 1.116 376 V CB -0.104 31.711 31.823 -0.014 0.000 0.792 376 V HN 0.945 nan 8.190 nan 0.000 0.459 377 G N -1.811 106.278 108.800 -1.185 0.000 2.608 377 G HA2 0.518 4.478 3.960 0.000 0.000 0.291 377 G HA3 0.518 4.478 3.960 0.000 0.000 0.291 377 G C -2.154 171.286 174.900 -2.434 0.000 1.425 377 G CA -0.755 43.512 45.100 -1.388 0.000 0.787 377 G HN 0.184 nan 8.290 nan 0.000 0.484 378 W N 0.091 120.665 121.300 -1.211 0.000 3.138 378 W HA 0.526 5.186 4.660 0.000 0.000 0.331 378 W C -0.999 175.130 176.519 -0.650 0.000 1.166 378 W CA -0.663 56.090 57.345 -0.987 0.000 1.212 378 W CB 2.737 31.784 29.460 -0.689 0.000 1.399 378 W HN 0.464 nan 8.180 nan 0.000 0.514 379 T N 2.001 116.335 114.554 -0.366 0.000 2.833 379 T HA 0.072 4.422 4.350 0.000 0.000 0.297 379 T C -0.251 174.327 174.700 -0.204 0.000 1.015 379 T CA -0.352 61.646 62.100 -0.170 0.000 0.963 379 T CB 1.230 70.102 68.868 0.006 0.000 0.955 379 T HN 0.211 nan 8.240 nan 0.000 0.449 380 D N 1.474 121.814 120.400 -0.101 0.000 2.362 380 D HA 0.057 4.697 4.640 0.000 0.000 0.238 380 D C 0.654 177.037 176.300 0.139 0.000 1.212 380 D CA -0.336 53.691 54.000 0.046 0.000 0.902 380 D CB 0.798 41.722 40.800 0.207 0.000 1.180 380 D HN 0.555 nan 8.370 nan 0.000 0.445 381 W N 1.314 122.566 121.300 -0.081 0.000 1.592 381 W HA 0.033 4.693 4.660 0.000 0.000 0.624 381 W C 0.451 176.885 176.519 -0.142 0.000 1.311 381 W CA -0.568 56.694 57.345 -0.138 0.000 1.187 381 W CB -0.062 29.287 29.460 -0.185 0.000 3.278 381 W HN 0.275 nan 8.180 nan 0.000 0.762 382 N N 2.624 121.057 118.700 -0.445 0.000 2.483 382 N HA -0.021 4.719 4.740 0.000 0.000 0.264 382 N C 0.851 176.245 175.510 -0.193 0.000 1.197 382 N CA 0.095 52.809 53.050 -0.560 0.000 0.927 382 N CB 1.346 39.315 38.487 -0.863 0.000 1.065 382 N HN 0.345 nan 8.380 nan 0.000 0.461 383 L N 0.991 122.145 121.223 -0.115 0.000 2.042 383 L HA -0.143 4.197 4.340 0.000 0.000 0.210 383 L C 1.018 177.971 176.870 0.139 0.000 1.076 383 L CA 1.119 55.954 54.840 -0.008 0.000 0.749 383 L CB -0.135 41.927 42.059 0.005 0.000 0.893 383 L HN 0.618 nan 8.230 nan 0.000 0.432 384 A N -0.929 121.900 122.820 0.014 0.000 2.520 384 A HA 0.731 5.051 4.320 0.000 0.000 0.298 384 A C -1.072 176.481 177.584 -0.052 0.000 1.051 384 A CA -0.508 51.537 52.037 0.013 0.000 0.690 384 A CB 1.489 20.494 19.000 0.009 0.000 1.281 384 A HN 0.022 nan 8.150 nan 0.000 0.402 385 L N 1.081 122.291 121.223 -0.020 0.000 2.283 385 L HA 0.503 4.843 4.340 0.000 0.000 0.259 385 L C 0.150 177.041 176.870 0.034 0.000 1.027 385 L CA -1.275 53.561 54.840 -0.006 0.000 0.828 385 L CB 2.079 44.133 42.059 -0.007 0.000 1.380 385 L HN 0.976 nan 8.230 nan 0.000 0.425 386 N N -0.150 118.579 118.700 0.049 0.000 2.327 386 N HA 0.240 4.981 4.740 0.000 0.000 0.257 386 N C -2.360 173.186 175.510 0.060 0.000 1.281 386 N CA -1.480 51.606 53.050 0.059 0.000 0.942 386 N CB -0.195 38.326 38.487 0.056 0.000 1.199 386 N HN 0.173 nan 8.380 nan 0.000 0.532 387 P HA -0.049 nan 4.420 nan 0.000 0.222 387 P C 0.331 177.650 177.300 0.032 0.000 1.147 387 P CA 1.203 64.328 63.100 0.041 0.000 0.790 387 P CB 0.170 31.903 31.700 0.055 0.000 0.780 388 E N -1.379 118.848 120.200 0.044 0.000 2.427 388 E HA 0.159 4.509 4.350 0.000 0.000 0.196 388 E C 1.533 178.161 176.600 0.047 0.000 1.028 388 E CA 0.850 57.274 56.400 0.041 0.000 0.864 388 E CB -0.838 28.884 29.700 0.038 0.000 0.813 388 E HN 0.187 nan 8.360 nan 0.000 0.514 389 G N -0.753 108.084 108.800 0.061 0.000 2.144 389 G HA2 -0.168 3.792 3.960 0.000 0.000 0.218 389 G HA3 -0.168 3.792 3.960 0.000 0.000 0.218 389 G C 0.538 175.536 174.900 0.162 0.000 0.988 389 G CA -0.087 45.073 45.100 0.101 0.000 0.659 389 G HN 0.571 nan 8.290 nan 0.000 0.522 390 G N -0.467 108.395 108.800 0.103 0.000 2.887 390 G HA2 0.847 4.807 3.960 0.000 0.000 0.277 390 G HA3 0.847 4.807 3.960 0.000 0.000 0.277 390 G C -2.847 172.113 174.900 0.100 0.000 1.346 390 G CA -0.978 44.174 45.100 0.085 0.000 1.058 390 G HN 0.209 nan 8.290 nan 0.000 0.535 391 P HA 0.195 nan 4.420 nan 0.000 0.290 391 P C -1.180 176.071 177.300 -0.081 0.000 1.276 391 P CA -0.500 62.609 63.100 0.015 0.000 0.808 391 P CB 1.594 33.311 31.700 0.028 0.000 0.966 392 N N 3.339 121.911 118.700 -0.214 0.000 2.410 392 N HA 0.102 4.842 4.740 0.000 0.000 0.287 392 N C 0.887 176.236 175.510 -0.269 0.000 1.044 392 N CA -0.688 52.064 53.050 -0.496 0.000 0.881 392 N CB 1.232 39.212 38.487 -0.846 0.000 1.405 392 N HN 0.541 nan 8.380 nan 0.000 0.490 393 W N 4.313 125.458 121.300 -0.257 0.000 2.937 393 W HA 0.105 4.765 4.660 0.000 0.000 0.245 393 W C -0.445 176.014 176.519 -0.101 0.000 1.306 393 W CA -0.011 57.253 57.345 -0.136 0.000 1.470 393 W CB -0.434 28.973 29.460 -0.089 0.000 1.132 393 W HN 0.178 nan 8.180 nan 0.000 0.675 394 V N 0.986 120.418 119.914 -0.802 0.000 2.784 394 V HA 0.288 4.408 4.120 0.000 0.000 0.231 394 V C 0.382 176.280 176.094 -0.327 0.000 1.128 394 V CA 0.772 62.675 62.300 -0.661 0.000 1.178 394 V CB -0.278 31.090 31.823 -0.758 0.000 0.943 394 V HN 0.009 nan 8.190 nan 0.000 0.500 395 R N 1.067 121.364 120.500 -0.338 0.000 2.647 395 R HA 0.198 4.538 4.340 0.000 0.000 0.260 395 R C -1.668 174.515 176.300 -0.195 0.000 1.154 395 R CA -0.461 55.526 56.100 -0.188 0.000 1.029 395 R CB 0.999 31.250 30.300 -0.083 0.000 1.262 395 R HN 0.520 nan 8.270 nan 0.000 0.437 396 N N 3.477 122.098 118.700 -0.132 0.000 2.452 396 N HA 0.077 4.817 4.740 0.000 0.000 0.266 396 N C -0.194 175.346 175.510 0.051 0.000 1.175 396 N CA 0.099 53.118 53.050 -0.052 0.000 0.945 396 N CB 0.664 39.151 38.487 0.000 0.000 1.063 396 N HN 0.243 nan 8.380 nan 0.000 0.472 397 F N -0.740 119.300 119.950 0.151 0.000 2.699 397 F HA 0.061 4.589 4.527 0.000 0.000 0.295 397 F C 1.187 177.130 175.800 0.238 0.000 1.052 397 F CA -0.641 57.473 58.000 0.191 0.000 1.239 397 F CB 0.409 39.567 39.000 0.264 0.000 1.018 397 F HN 0.400 nan 8.300 nan 0.000 0.627 398 V N -1.232 118.873 119.914 0.318 0.000 2.973 398 V HA 0.549 4.669 4.120 0.000 0.000 0.314 398 V C -0.279 175.914 176.094 0.166 0.000 1.066 398 V CA -0.693 61.776 62.300 0.282 0.000 1.021 398 V CB 1.553 33.572 31.823 0.325 0.000 1.076 398 V HN 0.102 nan 8.190 nan 0.000 0.462 399 D N 0.561 121.045 120.400 0.140 0.000 2.466 399 D HA 0.615 5.255 4.640 0.000 0.000 0.262 399 D C -0.513 175.820 176.300 0.054 0.000 1.177 399 D CA 0.058 54.102 54.000 0.074 0.000 1.035 399 D CB 1.971 42.803 40.800 0.053 0.000 1.105 399 D HN 0.939 nan 8.370 nan 0.000 0.551 400 S N -0.926 114.788 115.700 0.024 0.000 2.541 400 S HA 0.444 4.914 4.470 0.000 0.000 0.271 400 S C -2.356 172.267 174.600 0.039 0.000 1.133 400 S CA -1.191 57.024 58.200 0.025 0.000 0.876 400 S CB 1.766 64.955 63.200 -0.019 0.000 1.105 400 S HN 0.087 nan 8.310 nan 0.000 0.470 401 P HA 0.120 nan 4.420 nan 0.000 0.221 401 P C -0.318 177.061 177.300 0.132 0.000 1.145 401 P CA 1.113 64.277 63.100 0.106 0.000 0.795 401 P CB 0.037 31.872 31.700 0.225 0.000 0.775 402 I N -0.468 120.180 120.570 0.130 0.000 2.498 402 I HA 0.266 4.436 4.170 0.000 0.000 0.290 402 I C -0.580 175.593 176.117 0.093 0.000 1.032 402 I CA -1.009 60.341 61.300 0.082 0.000 1.073 402 I CB 2.409 40.401 38.000 -0.014 0.000 1.251 402 I HN -0.312 nan 8.210 nan 0.000 0.426 403 I N 6.523 127.179 120.570 0.143 0.000 2.465 403 I HA 0.369 4.539 4.170 0.000 0.000 0.291 403 I C -0.162 176.056 176.117 0.169 0.000 1.014 403 I CA -0.867 60.521 61.300 0.147 0.000 1.093 403 I CB 1.949 40.047 38.000 0.163 0.000 1.267 403 I HN 0.103 nan 8.210 nan 0.000 0.431 404 V N 4.978 124.957 119.914 0.108 0.000 2.350 404 V HA 0.252 4.372 4.120 0.000 0.000 0.276 404 V C 0.058 176.203 176.094 0.085 0.000 1.028 404 V CA -0.557 61.792 62.300 0.082 0.000 0.860 404 V CB 1.618 33.464 31.823 0.038 0.000 0.990 404 V HN 0.623 nan 8.190 nan 0.000 0.453 405 D N 4.898 125.332 120.400 0.057 0.000 2.500 405 D HA 0.205 4.845 4.640 0.000 0.000 0.219 405 D C 1.372 177.705 176.300 0.055 0.000 1.137 405 D CA -0.410 53.647 54.000 0.095 0.000 0.946 405 D CB 0.809 41.709 40.800 0.167 0.000 1.022 405 D HN 0.596 nan 8.370 nan 0.000 0.518 406 I N 0.936 121.539 120.570 0.055 0.000 2.248 406 I HA -0.261 3.909 4.170 0.000 0.000 0.248 406 I C 1.938 178.079 176.117 0.040 0.000 1.107 406 I CA 1.699 63.024 61.300 0.042 0.000 1.373 406 I CB -0.942 37.080 38.000 0.038 0.000 1.055 406 I HN 0.242 nan 8.210 nan 0.000 0.418 407 T N -0.688 113.896 114.554 0.049 0.000 2.881 407 T HA -0.107 4.243 4.350 0.000 0.000 0.270 407 T C 1.612 176.337 174.700 0.042 0.000 1.068 407 T CA 1.373 63.501 62.100 0.046 0.000 1.131 407 T CB -0.357 68.544 68.868 0.054 0.000 0.871 407 T HN 0.515 nan 8.240 nan 0.000 0.479 408 K N 0.563 120.989 120.400 0.044 0.000 2.372 408 K HA 0.177 4.497 4.320 0.000 0.000 0.200 408 K C 0.382 176.987 176.600 0.009 0.000 1.022 408 K CA 0.308 56.614 56.287 0.031 0.000 1.125 408 K CB 0.225 32.754 32.500 0.048 0.000 0.855 408 K HN 0.228 nan 8.250 nan 0.000 0.524 409 D N 2.005 122.415 120.400 0.016 0.000 2.733 409 D HA -0.178 4.462 4.640 0.000 0.000 0.232 409 D C -0.748 175.553 176.300 0.002 0.000 1.161 409 D CA 1.399 55.411 54.000 0.020 0.000 0.653 409 D CB -0.770 40.044 40.800 0.022 0.000 1.052 409 D HN 0.404 nan 8.370 nan 0.000 0.424 410 T N -1.778 112.744 114.554 -0.053 0.000 2.907 410 T HA 0.717 5.067 4.350 0.000 0.000 0.292 410 T C -0.233 174.322 174.700 -0.242 0.000 1.043 410 T CA -0.882 61.106 62.100 -0.186 0.000 1.003 410 T CB 1.545 70.233 68.868 -0.301 0.000 1.084 410 T HN 0.335 nan 8.240 nan 0.000 0.483 411 F N -0.122 119.580 119.950 -0.412 0.000 2.588 411 F HA 0.833 5.360 4.527 0.000 0.000 0.314 411 F C -1.848 173.663 175.800 -0.481 0.000 1.069 411 F CA -1.775 55.962 58.000 -0.437 0.000 0.931 411 F CB 1.229 40.101 39.000 -0.214 0.000 1.260 411 F HN 0.599 nan 8.300 nan 0.000 0.465 412 Y N 0.708 121.065 120.300 0.095 0.000 2.393 412 Y HA 0.546 5.096 4.550 0.000 0.000 0.341 412 Y C -0.574 175.332 175.900 0.010 0.000 0.988 412 Y CA -1.083 57.013 58.100 -0.008 0.000 1.078 412 Y CB 2.221 40.664 38.460 -0.028 0.000 1.203 412 Y HN 0.462 nan 8.280 nan 0.000 0.453 413 K N 3.537 124.003 120.400 0.109 0.000 2.292 413 K HA 0.235 4.556 4.320 0.000 0.000 0.270 413 K C -0.500 176.202 176.600 0.169 0.000 1.062 413 K CA -0.747 55.515 56.287 -0.042 0.000 0.916 413 K CB 0.824 33.043 32.500 -0.469 0.000 1.166 413 K HN 0.509 nan 8.250 nan 0.000 0.458 414 Q N 2.630 122.519 119.800 0.148 0.000 2.432 414 Q HA -0.005 4.335 4.340 0.000 0.000 0.264 414 Q C -1.615 174.582 176.000 0.328 0.000 1.035 414 Q CA -1.273 54.639 55.803 0.183 0.000 0.908 414 Q CB 0.186 28.969 28.738 0.075 0.000 1.280 414 Q HN 0.314 nan 8.270 nan 0.000 0.455 415 P HA -0.258 nan 4.420 nan 0.000 0.220 415 P C 1.329 178.812 177.300 0.305 0.000 1.155 415 P CA 1.841 65.178 63.100 0.394 0.000 0.880 415 P CB -0.008 31.798 31.700 0.177 0.000 0.790 416 M N -2.594 117.021 119.600 0.025 0.000 2.088 416 M HA -0.236 4.244 4.480 0.000 0.000 0.256 416 M C 2.133 178.444 176.300 0.018 0.000 1.071 416 M CA 2.084 57.287 55.300 -0.160 0.000 1.097 416 M CB -1.147 31.173 32.600 -0.466 0.000 1.315 416 M HN -0.092 nan 8.290 nan 0.000 0.406 417 F N 0.223 120.112 119.950 -0.102 0.000 2.120 417 F HA -0.311 4.216 4.527 0.000 0.000 0.300 417 F C 1.861 177.537 175.800 -0.206 0.000 1.095 417 F CA 1.750 59.627 58.000 -0.204 0.000 1.249 417 F CB -0.355 38.378 39.000 -0.445 0.000 0.995 417 F HN 0.050 nan 8.300 nan 0.000 0.480 418 Y N -0.893 119.674 120.300 0.444 0.000 2.337 418 Y HA -0.142 4.408 4.550 0.000 0.000 0.293 418 Y C 2.685 178.752 175.900 0.279 0.000 1.123 418 Y CA 1.515 59.834 58.100 0.365 0.000 1.201 418 Y CB -0.966 37.763 38.460 0.448 0.000 1.011 418 Y HN 0.162 nan 8.280 nan 0.000 0.545 419 H N -0.384 118.845 119.070 0.265 0.000 2.421 419 H HA -0.124 4.433 4.556 0.000 0.000 0.298 419 H C 2.090 177.615 175.328 0.329 0.000 1.087 419 H CA 1.604 57.789 56.048 0.228 0.000 1.330 419 H CB -0.106 29.708 29.762 0.087 0.000 1.388 419 H HN 0.353 nan 8.280 nan 0.000 0.526 420 L N -0.246 121.151 121.223 0.289 0.000 2.072 420 L HA -0.053 4.287 4.340 0.000 0.000 0.205 420 L C 2.917 179.805 176.870 0.030 0.000 1.079 420 L CA 1.083 56.047 54.840 0.207 0.000 0.752 420 L CB -0.526 41.628 42.059 0.158 0.000 0.906 420 L HN 0.251 nan 8.230 nan 0.000 0.436 421 G N -1.574 107.131 108.800 -0.158 0.000 2.450 421 G HA2 -0.272 3.688 3.960 0.000 0.000 0.220 421 G HA3 -0.272 3.688 3.960 0.000 0.000 0.220 421 G C 1.407 176.110 174.900 -0.328 0.000 1.130 421 G CA 0.546 45.447 45.100 -0.333 0.000 0.760 421 G HN 0.434 nan 8.290 nan 0.000 0.557 422 H N -0.955 118.012 119.070 -0.172 0.000 2.543 422 H HA 0.011 4.567 4.556 0.000 0.000 0.286 422 H C 1.654 176.675 175.328 -0.511 0.000 1.037 422 H CA 1.059 56.953 56.048 -0.257 0.000 1.250 422 H CB 0.137 29.675 29.762 -0.373 0.000 1.373 422 H HN 0.506 nan 8.280 nan 0.000 0.580 423 F N -0.568 119.239 119.950 -0.238 0.000 2.536 423 F HA -0.045 4.482 4.527 0.000 0.000 0.278 423 F C 2.750 178.046 175.800 -0.839 0.000 0.945 423 F CA 0.541 58.226 58.000 -0.524 0.000 1.244 423 F CB -0.596 37.923 39.000 -0.802 0.000 1.118 423 F HN -0.038 nan 8.300 nan 0.000 0.725 424 S N 0.606 115.841 115.700 -0.776 0.000 2.419 424 S HA -0.264 4.206 4.470 0.000 0.000 0.235 424 S C 1.889 176.219 174.600 -0.451 0.000 1.019 424 S CA 1.651 59.451 58.200 -0.667 0.000 0.982 424 S CB -0.587 62.492 63.200 -0.202 0.000 0.789 424 S HN 0.429 nan 8.310 nan 0.000 0.490 425 K N 0.232 120.208 120.400 -0.706 0.000 2.186 425 K HA 0.136 4.456 4.320 0.000 0.000 0.202 425 K C 0.530 176.541 176.600 -0.982 0.000 1.052 425 K CA 0.857 56.548 56.287 -0.992 0.000 0.965 425 K CB -0.064 31.483 32.500 -1.589 0.000 0.746 425 K HN 0.548 nan 8.250 nan 0.000 0.457 426 F N 0.218 119.988 119.950 -0.300 0.000 2.688 426 F HA 0.349 4.876 4.527 0.000 0.000 0.310 426 F C 0.017 175.756 175.800 -0.102 0.000 1.098 426 F CA -0.578 57.294 58.000 -0.214 0.000 1.228 426 F CB 0.798 39.632 39.000 -0.275 0.000 1.042 426 F HN -0.188 nan 8.300 nan 0.000 0.557 427 I N 3.491 124.068 120.570 0.012 0.000 2.668 427 I HA 0.245 4.415 4.170 0.000 0.000 0.276 427 I C -2.486 173.681 176.117 0.083 0.000 1.139 427 I CA -1.940 59.410 61.300 0.084 0.000 1.133 427 I CB 0.809 38.928 38.000 0.198 0.000 1.327 427 I HN -0.217 nan 8.210 nan 0.000 0.520 428 P HA 0.037 nan 4.420 nan 0.000 0.272 428 P C -0.127 177.164 177.300 -0.014 0.000 1.240 428 P CA -0.236 62.838 63.100 -0.043 0.000 0.791 428 P CB 0.822 32.422 31.700 -0.166 0.000 0.978 429 E N 0.072 120.274 120.200 0.002 0.000 2.608 429 E HA 0.135 4.485 4.350 0.000 0.000 0.259 429 E C 1.087 177.670 176.600 -0.029 0.000 0.951 429 E CA 1.188 57.580 56.400 -0.013 0.000 0.945 429 E CB -0.744 28.930 29.700 -0.042 0.000 0.916 429 E HN 0.772 nan 8.360 nan 0.000 0.477 430 G N 3.026 111.822 108.800 -0.006 0.000 2.279 430 G HA2 -0.271 3.689 3.960 0.000 0.000 0.223 430 G HA3 -0.271 3.689 3.960 0.000 0.000 0.223 430 G C 0.160 175.064 174.900 0.008 0.000 1.015 430 G CA 0.029 45.129 45.100 0.000 0.000 0.621 430 G HN 0.649 nan 8.290 nan 0.000 0.506 431 S N 0.807 116.503 115.700 -0.007 0.000 2.558 431 S HA 0.378 4.849 4.470 0.000 0.000 0.293 431 S C 0.205 174.846 174.600 0.069 0.000 1.292 431 S CA 0.582 58.792 58.200 0.017 0.000 1.063 431 S CB 1.480 64.702 63.200 0.036 0.000 0.831 431 S HN 0.711 nan 8.310 nan 0.000 0.499 432 Q N 1.761 121.607 119.800 0.076 0.000 2.293 432 Q HA 0.314 4.654 4.340 0.000 0.000 0.261 432 Q C -0.285 175.795 176.000 0.132 0.000 0.960 432 Q CA -0.774 55.090 55.803 0.102 0.000 0.882 432 Q CB 0.915 29.701 28.738 0.080 0.000 1.275 432 Q HN 0.584 nan 8.270 nan 0.000 0.445 433 R N 3.205 123.815 120.500 0.182 0.000 2.401 433 R HA 0.217 4.557 4.340 0.000 0.000 0.299 433 R C -0.406 176.090 176.300 0.326 0.000 1.064 433 R CA -0.014 56.217 56.100 0.218 0.000 1.000 433 R CB 0.219 30.640 30.300 0.201 0.000 0.973 433 R HN 0.552 nan 8.270 nan 0.000 0.438 434 V N 1.557 121.626 119.914 0.258 0.000 3.234 434 V HA 0.757 4.877 4.120 0.000 0.000 0.317 434 V C 0.542 176.854 176.094 0.363 0.000 1.147 434 V CA -0.719 61.750 62.300 0.282 0.000 1.037 434 V CB 1.225 33.125 31.823 0.128 0.000 1.148 434 V HN 0.786 nan 8.190 nan 0.000 0.455 435 G N -0.123 108.889 108.800 0.352 0.000 2.569 435 G HA2 0.516 4.476 3.960 0.000 0.000 0.249 435 G HA3 0.516 4.476 3.960 0.000 0.000 0.249 435 G C -1.024 173.971 174.900 0.157 0.000 1.216 435 G CA -0.127 45.166 45.100 0.321 0.000 0.845 435 G HN 1.293 nan 8.290 nan 0.000 0.568 436 L N 1.805 123.090 121.223 0.103 0.000 2.680 436 L HA 0.365 4.705 4.340 0.000 0.000 0.260 436 L C -0.724 176.174 176.870 0.045 0.000 0.975 436 L CA -0.471 54.411 54.840 0.070 0.000 0.920 436 L CB 1.878 43.975 42.059 0.063 0.000 1.234 436 L HN 0.305 nan 8.230 nan 0.000 0.429 437 V N 4.565 124.506 119.914 0.045 0.000 2.368 437 V HA 0.719 4.839 4.120 0.000 0.000 0.266 437 V C 0.992 177.102 176.094 0.025 0.000 1.045 437 V CA -0.123 62.198 62.300 0.035 0.000 0.899 437 V CB 0.978 32.824 31.823 0.039 0.000 1.006 437 V HN 0.883 nan 8.190 nan 0.000 0.470 438 A N 4.011 126.844 122.820 0.021 0.000 2.425 438 A HA 0.415 4.735 4.320 0.000 0.000 0.249 438 A C 1.412 179.009 177.584 0.022 0.000 1.084 438 A CA 0.346 52.395 52.037 0.019 0.000 0.781 438 A CB 0.475 19.486 19.000 0.018 0.000 1.019 438 A HN 1.128 nan 8.150 nan 0.000 0.490 439 S N 0.851 116.565 115.700 0.022 0.000 2.527 439 S HA 0.132 4.602 4.470 0.000 0.000 0.222 439 S C 0.476 175.092 174.600 0.027 0.000 0.985 439 S CA 0.704 58.920 58.200 0.028 0.000 0.921 439 S CB -0.396 62.824 63.200 0.034 0.000 0.772 439 S HN 0.979 nan 8.310 nan 0.000 0.529 440 Q N -0.685 119.129 119.800 0.024 0.000 2.578 440 Q HA 0.476 4.816 4.340 0.000 0.000 0.284 440 Q C -1.522 174.490 176.000 0.020 0.000 0.960 440 Q CA -1.192 54.624 55.803 0.022 0.000 0.809 440 Q CB 0.722 29.474 28.738 0.022 0.000 1.462 440 Q HN 0.025 nan 8.270 nan 0.000 0.392 441 K N 1.073 121.485 120.400 0.019 0.000 2.485 441 K HA 0.146 4.466 4.320 0.000 0.000 0.277 441 K C -0.774 175.836 176.600 0.016 0.000 0.990 441 K CA 1.002 57.300 56.287 0.019 0.000 0.994 441 K CB 0.290 32.801 32.500 0.019 0.000 0.906 441 K HN 0.794 nan 8.250 nan 0.000 0.488 442 N N 0.238 118.948 118.700 0.017 0.000 3.020 442 N HA 0.228 4.968 4.740 0.000 0.000 0.248 442 N C -1.177 174.341 175.510 0.014 0.000 1.480 442 N CA -0.815 52.242 53.050 0.013 0.000 0.874 442 N CB 1.067 39.562 38.487 0.014 0.000 1.433 442 N HN 0.289 nan 8.380 nan 0.000 0.530 443 D N -0.359 120.045 120.400 0.006 0.000 2.369 443 D HA 0.235 4.875 4.640 0.000 0.000 0.211 443 D C 0.184 176.490 176.300 0.010 0.000 1.077 443 D CA 0.132 54.134 54.000 0.002 0.000 0.842 443 D CB 0.256 41.047 40.800 -0.016 0.000 0.947 443 D HN 0.365 nan 8.370 nan 0.000 0.509 444 L N 0.336 121.570 121.223 0.019 0.000 2.488 444 L HA 0.335 4.675 4.340 0.000 0.000 0.249 444 L C 0.334 177.242 176.870 0.065 0.000 1.151 444 L CA -0.370 54.490 54.840 0.034 0.000 0.806 444 L CB 0.700 42.776 42.059 0.028 0.000 1.261 444 L HN -0.261 nan 8.230 nan 0.000 0.484 445 D N 0.497 120.950 120.400 0.090 0.000 2.696 445 D HA 0.592 5.232 4.640 0.000 0.000 0.251 445 D C -1.095 175.269 176.300 0.106 0.000 1.188 445 D CA -0.120 53.949 54.000 0.115 0.000 0.876 445 D CB 2.334 43.251 40.800 0.195 0.000 1.334 445 D HN 0.573 nan 8.370 nan 0.000 0.540 446 A N 1.634 124.504 122.820 0.083 0.000 2.422 446 A HA 0.701 5.021 4.320 0.000 0.000 0.302 446 A C -1.340 176.288 177.584 0.073 0.000 1.041 446 A CA -0.762 51.326 52.037 0.086 0.000 0.708 446 A CB 2.114 21.155 19.000 0.068 0.000 1.257 446 A HN 0.328 nan 8.150 nan 0.000 0.414 447 V N 1.119 121.093 119.914 0.099 0.000 2.888 447 V HA 0.850 4.971 4.120 0.000 0.000 0.309 447 V C -0.482 175.670 176.094 0.097 0.000 1.114 447 V CA 0.155 62.506 62.300 0.084 0.000 0.940 447 V CB 1.941 33.825 31.823 0.103 0.000 1.021 447 V HN 1.947 nan 8.190 nan 0.000 0.426 448 A N 5.981 128.850 122.820 0.081 0.000 2.355 448 A HA 1.011 5.331 4.320 0.000 0.000 0.324 448 A C -1.526 176.105 177.584 0.078 0.000 1.117 448 A CA -0.556 51.525 52.037 0.073 0.000 0.785 448 A CB 1.544 20.593 19.000 0.082 0.000 1.254 448 A HN 0.910 nan 8.150 nan 0.000 0.453 449 L N 0.788 122.037 121.223 0.043 0.000 2.469 449 L HA 0.586 4.926 4.340 0.000 0.000 0.256 449 L C -0.457 176.420 176.870 0.011 0.000 1.006 449 L CA -0.045 54.833 54.840 0.063 0.000 0.832 449 L CB 2.213 44.333 42.059 0.102 0.000 1.421 449 L HN 0.744 nan 8.230 nan 0.000 0.410 450 M N 1.638 121.262 119.600 0.039 0.000 2.078 450 M HA 0.312 4.792 4.480 0.000 0.000 0.320 450 M C -0.781 175.564 176.300 0.075 0.000 0.969 450 M CA -0.699 54.617 55.300 0.026 0.000 0.929 450 M CB 1.060 33.674 32.600 0.025 0.000 1.504 450 M HN 0.573 nan 8.290 nan 0.000 0.419 451 H N 5.408 124.463 119.070 -0.025 0.000 3.038 451 H HA 0.029 4.585 4.556 0.000 0.000 0.338 451 H C -1.902 173.435 175.328 0.014 0.000 1.041 451 H CA -0.160 55.891 56.048 0.004 0.000 1.394 451 H CB 0.938 30.692 29.762 -0.012 0.000 1.357 451 H HN 0.411 nan 8.280 nan 0.000 0.600 452 P HA -0.180 nan 4.420 nan 0.000 0.218 452 P C 0.720 178.156 177.300 0.227 0.000 1.146 452 P CA 1.833 65.018 63.100 0.141 0.000 0.820 452 P CB 0.068 31.796 31.700 0.046 0.000 0.778 453 D N -1.918 118.737 120.400 0.425 0.000 2.352 453 D HA 0.060 4.700 4.640 0.000 0.000 0.232 453 D C 1.404 177.723 176.300 0.032 0.000 1.055 453 D CA 0.639 54.732 54.000 0.155 0.000 0.891 453 D CB -1.024 39.819 40.800 0.071 0.000 0.897 453 D HN 0.242 nan 8.370 nan 0.000 0.529 454 G N -0.414 108.425 108.800 0.065 0.000 2.195 454 G HA2 -0.276 3.684 3.960 0.000 0.000 0.246 454 G HA3 -0.276 3.684 3.960 0.000 0.000 0.246 454 G C 0.436 175.315 174.900 -0.036 0.000 0.984 454 G CA 0.418 45.523 45.100 0.008 0.000 0.633 454 G HN 0.878 nan 8.290 nan 0.000 0.525 455 S N -0.105 115.552 115.700 -0.072 0.000 2.707 455 S HA 0.879 5.349 4.470 0.000 0.000 0.276 455 S C 0.301 174.787 174.600 -0.190 0.000 1.179 455 S CA 0.556 58.673 58.200 -0.139 0.000 0.992 455 S CB 2.123 65.232 63.200 -0.152 0.000 1.030 455 S HN 1.916 nan 8.310 nan 0.000 0.554 456 A N 0.075 122.616 122.820 -0.465 0.000 2.325 456 A HA 0.789 5.109 4.320 0.000 0.000 0.333 456 A C -0.613 176.597 177.584 -0.624 0.000 1.155 456 A CA -0.799 50.813 52.037 -0.709 0.000 0.814 456 A CB 1.286 19.401 19.000 -1.475 0.000 1.206 456 A HN 1.650 nan 8.150 nan 0.000 0.482 457 V N 2.715 122.394 119.914 -0.392 0.000 2.668 457 V HA 0.672 4.792 4.120 0.000 0.000 0.304 457 V C -1.544 174.485 176.094 -0.108 0.000 1.071 457 V CA -0.349 61.821 62.300 -0.218 0.000 0.894 457 V CB 1.784 33.566 31.823 -0.068 0.000 1.008 457 V HN 0.828 nan 8.190 nan 0.000 0.425 458 V N 6.893 126.808 119.914 0.002 0.000 2.483 458 V HA 0.547 4.667 4.120 0.000 0.000 0.297 458 V C -0.303 175.874 176.094 0.138 0.000 1.027 458 V CA -0.610 61.760 62.300 0.117 0.000 0.855 458 V CB 1.949 33.912 31.823 0.234 0.000 0.995 458 V HN 0.752 nan 8.190 nan 0.000 0.424 459 V N 5.269 125.225 119.914 0.070 0.000 2.427 459 V HA 0.585 4.705 4.120 0.000 0.000 0.286 459 V C -0.196 175.956 176.094 0.097 0.000 1.034 459 V CA -0.585 61.715 62.300 0.001 0.000 0.893 459 V CB 1.693 33.377 31.823 -0.231 0.000 0.982 459 V HN 0.605 nan 8.190 nan 0.000 0.452 460 V N 5.848 125.829 119.914 0.113 0.000 2.483 460 V HA 0.481 4.601 4.120 0.000 0.000 0.297 460 V C -0.633 175.495 176.094 0.055 0.000 1.027 460 V CA -0.519 61.853 62.300 0.119 0.000 0.855 460 V CB 1.629 33.569 31.823 0.195 0.000 0.995 460 V HN 0.688 nan 8.190 nan 0.000 0.424 461 L N 4.528 125.796 121.223 0.076 0.000 2.298 461 L HA 0.644 4.984 4.340 0.000 0.000 0.284 461 L C -0.308 176.607 176.870 0.075 0.000 1.013 461 L CA -0.016 54.879 54.840 0.090 0.000 0.824 461 L CB 1.474 43.633 42.059 0.168 0.000 1.221 461 L HN 0.620 nan 8.230 nan 0.000 0.418 462 N N 4.203 122.936 118.700 0.056 0.000 2.589 462 N HA 0.277 5.017 4.740 0.000 0.000 0.232 462 N C 0.463 176.009 175.510 0.060 0.000 1.015 462 N CA -0.080 52.980 53.050 0.016 0.000 0.931 462 N CB 0.691 39.149 38.487 -0.049 0.000 1.150 462 N HN 0.659 nan 8.380 nan 0.000 0.512 463 R N 0.514 121.041 120.500 0.045 0.000 2.313 463 R HA 0.042 4.382 4.340 0.000 0.000 0.199 463 R C 0.660 176.899 176.300 -0.103 0.000 0.958 463 R CA 0.128 56.266 56.100 0.063 0.000 1.047 463 R CB 0.141 30.460 30.300 0.031 0.000 0.955 463 R HN 0.563 nan 8.270 nan 0.000 0.481 464 S N -1.023 114.534 115.700 -0.238 0.000 2.738 464 S HA 0.133 4.603 4.470 0.000 0.000 0.284 464 S C 1.197 175.327 174.600 -0.784 0.000 1.146 464 S CA -0.339 57.642 58.200 -0.365 0.000 0.997 464 S CB 1.739 64.832 63.200 -0.179 0.000 1.081 464 S HN 0.079 nan 8.310 nan 0.000 0.553 465 S N -0.397 114.952 115.700 -0.585 0.000 2.458 465 S HA 0.186 4.656 4.470 0.000 0.000 0.223 465 S C 0.887 175.365 174.600 -0.202 0.000 1.019 465 S CA 0.507 58.422 58.200 -0.474 0.000 0.937 465 S CB -1.058 62.120 63.200 -0.036 0.000 0.788 465 S HN 1.186 nan 8.310 nan 0.000 0.511 466 K N 1.975 122.284 120.400 -0.151 0.000 2.249 466 K HA 0.379 4.699 4.320 0.000 0.000 0.280 466 K C -0.619 175.935 176.600 -0.077 0.000 1.033 466 K CA -0.368 55.872 56.287 -0.078 0.000 0.946 466 K CB -0.365 32.103 32.500 -0.053 0.000 1.005 466 K HN 0.404 nan 8.250 nan 0.000 0.469 467 D N 1.055 121.430 120.400 -0.043 0.000 2.455 467 D HA 0.209 4.849 4.640 0.000 0.000 0.241 467 D C -0.507 175.777 176.300 -0.027 0.000 1.138 467 D CA 0.053 54.035 54.000 -0.030 0.000 0.877 467 D CB 1.215 42.011 40.800 -0.007 0.000 1.187 467 D HN 0.188 nan 8.370 nan 0.000 0.451 468 V N 5.450 125.347 119.914 -0.027 0.000 2.349 468 V HA 0.232 4.352 4.120 0.000 0.000 0.284 468 V C -2.125 173.965 176.094 -0.006 0.000 1.014 468 V CA -1.644 60.645 62.300 -0.018 0.000 0.826 468 V CB 1.637 33.445 31.823 -0.025 0.000 1.009 468 V HN 0.433 nan 8.190 nan 0.000 0.431 469 P HA 0.148 nan 4.420 nan 0.000 0.264 469 P C -0.845 176.460 177.300 0.008 0.000 1.193 469 P CA 0.009 63.115 63.100 0.011 0.000 0.763 469 P CB 1.278 32.985 31.700 0.012 0.000 0.810 470 L N 3.628 124.851 121.223 0.001 0.000 2.445 470 L HA 0.574 4.914 4.340 0.000 0.000 0.262 470 L C -0.832 176.004 176.870 -0.057 0.000 0.974 470 L CA -0.019 54.806 54.840 -0.025 0.000 0.822 470 L CB 2.421 44.459 42.059 -0.036 0.000 1.339 470 L HN 0.246 nan 8.230 nan 0.000 0.409 471 T N 5.622 120.134 114.554 -0.069 0.000 2.881 471 T HA 0.597 4.948 4.350 0.000 0.000 0.291 471 T C -0.500 174.110 174.700 -0.150 0.000 0.990 471 T CA -0.096 61.937 62.100 -0.112 0.000 0.976 471 T CB 0.789 69.593 68.868 -0.107 0.000 0.970 471 T HN 0.392 nan 8.240 nan 0.000 0.438 472 I N 3.372 123.798 120.570 -0.240 0.000 2.304 472 I HA 0.385 4.555 4.170 0.000 0.000 0.291 472 I C 0.381 176.316 176.117 -0.303 0.000 1.018 472 I CA -0.616 60.538 61.300 -0.243 0.000 1.260 472 I CB 1.004 38.821 38.000 -0.306 0.000 1.390 472 I HN 0.278 nan 8.210 nan 0.000 0.475 473 K N 5.736 125.977 120.400 -0.265 0.000 2.183 473 K HA 0.252 4.572 4.320 0.000 0.000 0.274 473 K C -1.153 175.242 176.600 -0.342 0.000 1.009 473 K CA -0.493 55.493 56.287 -0.503 0.000 0.888 473 K CB 1.188 33.365 32.500 -0.538 0.000 1.078 473 K HN 0.482 nan 8.250 nan 0.000 0.459 474 D N 6.238 126.397 120.400 -0.402 0.000 2.471 474 D HA 0.209 4.849 4.640 0.000 0.000 0.245 474 D C -1.733 174.445 176.300 -0.203 0.000 1.116 474 D CA -2.373 51.543 54.000 -0.140 0.000 0.853 474 D CB 1.885 42.719 40.800 0.056 0.000 1.123 474 D HN 0.321 nan 8.370 nan 0.000 0.540 475 P HA -0.061 nan 4.420 nan 0.000 0.225 475 P C 0.866 178.129 177.300 -0.061 0.000 1.148 475 P CA 0.465 63.491 63.100 -0.124 0.000 0.779 475 P CB 0.329 31.993 31.700 -0.060 0.000 0.780 476 A N -0.787 122.027 122.820 -0.011 0.000 2.123 476 A HA 0.108 4.428 4.320 0.000 0.000 0.214 476 A C 2.035 179.631 177.584 0.019 0.000 1.152 476 A CA 1.067 53.119 52.037 0.025 0.000 0.728 476 A CB -0.497 18.544 19.000 0.069 0.000 0.814 476 A HN 0.127 nan 8.150 nan 0.000 0.464 477 V N -2.875 117.023 119.914 -0.026 0.000 3.103 477 V HA 0.516 4.636 4.120 0.000 0.000 0.229 477 V C 1.219 177.242 176.094 -0.119 0.000 1.304 477 V CA 0.781 63.055 62.300 -0.044 0.000 1.298 477 V CB 0.028 31.833 31.823 -0.030 0.000 1.093 477 V HN 0.900 nan 8.190 nan 0.000 0.489 478 G N 0.145 108.787 108.800 -0.263 0.000 2.295 478 G HA2 0.129 4.089 3.960 0.000 0.000 0.155 478 G HA3 0.129 4.089 3.960 0.000 0.000 0.155 478 G C -1.770 172.762 174.900 -0.613 0.000 1.307 478 G CA -0.513 44.407 45.100 -0.300 0.000 1.140 478 G HN 0.062 nan 8.290 nan 0.000 0.470 479 F N 0.044 119.879 119.950 -0.192 0.000 2.529 479 F HA 0.733 5.260 4.527 0.000 0.000 0.320 479 F C -0.153 175.479 175.800 -0.279 0.000 1.118 479 F CA -0.642 57.212 58.000 -0.244 0.000 0.915 479 F CB 2.193 41.088 39.000 -0.175 0.000 1.161 479 F HN 0.282 nan 8.300 nan 0.000 0.445 480 L N 4.170 125.235 121.223 -0.264 0.000 2.259 480 L HA 0.323 4.663 4.340 0.000 0.000 0.288 480 L C -0.036 176.680 176.870 -0.255 0.000 1.051 480 L CA -0.291 54.317 54.840 -0.386 0.000 0.824 480 L CB 0.365 41.939 42.059 -0.808 0.000 1.206 480 L HN 0.416 nan 8.230 nan 0.000 0.429 481 E N 2.168 122.308 120.200 -0.100 0.000 2.316 481 E HA 0.380 4.730 4.350 0.000 0.000 0.275 481 E C 0.039 176.593 176.600 -0.077 0.000 1.029 481 E CA 0.025 56.398 56.400 -0.044 0.000 0.871 481 E CB 1.587 31.305 29.700 0.031 0.000 1.022 481 E HN 0.487 nan 8.360 nan 0.000 0.418 482 T N 1.736 116.249 114.554 -0.067 0.000 2.739 482 T HA 0.581 4.931 4.350 0.000 0.000 0.303 482 T C -1.513 173.211 174.700 0.040 0.000 1.389 482 T CA -0.560 61.534 62.100 -0.009 0.000 1.001 482 T CB 0.884 69.687 68.868 -0.108 0.000 1.436 482 T HN 0.256 nan 8.240 nan 0.000 0.500 483 I N 1.682 122.318 120.570 0.110 0.000 2.608 483 I HA 0.568 4.738 4.170 0.000 0.000 0.295 483 I C -0.271 175.910 176.117 0.106 0.000 1.049 483 I CA -0.433 60.917 61.300 0.084 0.000 1.063 483 I CB 2.293 40.341 38.000 0.080 0.000 1.248 483 I HN 0.495 nan 8.210 nan 0.000 0.424 484 S N 6.542 122.246 115.700 0.007 0.000 2.474 484 S HA 0.564 5.035 4.470 0.000 0.000 0.320 484 S C -2.600 171.937 174.600 -0.105 0.000 1.067 484 S CA -1.587 56.532 58.200 -0.135 0.000 1.127 484 S CB 0.445 63.573 63.200 -0.120 0.000 0.971 484 S HN 0.181 nan 8.310 nan 0.000 0.472 485 P HA 0.211 nan 4.420 nan 0.000 0.276 485 P C 0.364 177.636 177.300 -0.047 0.000 1.230 485 P CA -0.078 63.007 63.100 -0.026 0.000 0.776 485 P CB 0.374 32.094 31.700 0.034 0.000 0.888 486 G N 2.498 111.262 108.800 -0.060 0.000 2.368 486 G HA2 -0.045 3.915 3.960 0.000 0.000 0.233 486 G HA3 -0.045 3.915 3.960 0.000 0.000 0.233 486 G C -0.546 174.322 174.900 -0.053 0.000 1.267 486 G CA -0.088 44.924 45.100 -0.147 0.000 0.873 486 G HN 0.587 nan 8.290 nan 0.000 0.539 487 Y N -0.381 119.961 120.300 0.069 0.000 3.125 487 Y HA -0.237 4.313 4.550 0.000 0.000 0.200 487 Y C 1.239 177.233 175.900 0.157 0.000 1.373 487 Y CA 0.718 58.902 58.100 0.141 0.000 1.180 487 Y CB -1.872 36.538 38.460 -0.084 0.000 1.381 487 Y HN 0.970 nan 8.280 nan 0.000 0.501 488 S N -0.180 115.711 115.700 0.318 0.000 2.632 488 S HA 0.897 5.367 4.470 0.000 0.000 0.289 488 S C -0.841 173.901 174.600 0.236 0.000 1.115 488 S CA -0.767 57.611 58.200 0.296 0.000 0.889 488 S CB 3.142 66.383 63.200 0.068 0.000 1.116 488 S HN 0.487 nan 8.310 nan 0.000 0.486 489 I N 0.885 121.538 120.570 0.139 0.000 2.569 489 I HA 0.556 4.726 4.170 0.000 0.000 0.290 489 I C -1.471 174.592 176.117 -0.091 0.000 1.088 489 I CA -0.482 60.732 61.300 -0.143 0.000 1.047 489 I CB 1.739 39.431 38.000 -0.512 0.000 1.237 489 I HN 0.916 nan 8.210 nan 0.000 0.421 490 H N 4.423 123.366 119.070 -0.211 0.000 2.600 490 H HA 0.443 4.999 4.556 0.000 0.000 0.357 490 H C -1.060 174.163 175.328 -0.175 0.000 1.106 490 H CA -1.006 54.931 56.048 -0.185 0.000 1.193 490 H CB 2.168 31.769 29.762 -0.269 0.000 1.594 490 H HN 0.442 nan 8.280 nan 0.000 0.526 491 T N 3.523 118.057 114.554 -0.035 0.000 2.770 491 T HA 0.253 4.603 4.350 0.000 0.000 0.283 491 T C -0.795 173.714 174.700 -0.319 0.000 0.988 491 T CA -0.569 61.425 62.100 -0.177 0.000 0.957 491 T CB 0.318 69.009 68.868 -0.296 0.000 0.930 491 T HN 0.322 nan 8.240 nan 0.000 0.443 492 Y N 2.491 122.801 120.300 0.017 0.000 2.377 492 Y HA 0.666 5.216 4.550 0.000 0.000 0.339 492 Y C -0.038 175.917 175.900 0.091 0.000 1.011 492 Y CA -1.140 57.035 58.100 0.125 0.000 1.093 492 Y CB 1.312 39.888 38.460 0.193 0.000 1.201 492 Y HN 0.402 nan 8.280 nan 0.000 0.455 493 L N 3.541 124.950 121.223 0.310 0.000 2.431 493 L HA 0.581 4.921 4.340 0.000 0.000 0.266 493 L C -1.438 175.650 176.870 0.363 0.000 0.978 493 L CA -0.728 54.181 54.840 0.115 0.000 0.822 493 L CB 1.856 43.892 42.059 -0.038 0.000 1.310 493 L HN 0.788 nan 8.230 nan 0.000 0.409 494 W N 0.616 121.990 121.300 0.124 0.000 3.213 494 W HA 0.551 5.211 4.660 0.000 0.000 0.318 494 W C -1.115 175.535 176.519 0.219 0.000 1.248 494 W CA -0.816 56.616 57.345 0.144 0.000 1.187 494 W CB 0.313 29.866 29.460 0.156 0.000 1.403 494 W HN 0.262 nan 8.180 nan 0.000 0.556 495 H N 1.857 121.083 119.070 0.259 0.000 2.707 495 H HA 0.353 4.909 4.556 0.000 0.000 0.359 495 H C 1.007 176.520 175.328 0.308 0.000 1.113 495 H CA -0.229 55.926 56.048 0.178 0.000 1.422 495 H CB 1.283 31.141 29.762 0.160 0.000 1.443 495 H HN 0.504 nan 8.280 nan 0.000 0.591 496 R N 0.854 121.517 120.500 0.272 0.000 2.397 496 R HA 0.192 4.532 4.340 0.000 0.000 0.241 496 R C 0.265 176.669 176.300 0.173 0.000 0.914 496 R CA 0.085 56.345 56.100 0.266 0.000 1.071 496 R CB 1.025 31.421 30.300 0.161 0.000 1.116 496 R HN 0.575 nan 8.270 nan 0.000 0.524 497 Q N 0.000 119.888 119.800 0.147 0.000 2.315 497 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 497 Q CA 0.000 55.859 55.803 0.094 0.000 1.022 497 Q CB 0.000 28.765 28.738 0.045 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481